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 3dhy_1_C DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.671 176.870 -0.331 0.000 1.165 11 L CA 0.000 54.522 54.840 -0.530 0.000 0.813 11 L CB 0.000 41.483 42.059 -0.960 0.000 0.961 12 T N -0.013 114.464 114.554 -0.129 0.000 2.881 12 T HA 0.669 5.019 4.350 -0.000 0.000 0.290 12 T C -2.793 172.019 174.700 0.186 0.000 1.000 12 T CA -1.420 60.735 62.100 0.091 0.000 0.978 12 T CB 1.886 70.763 68.868 0.015 0.000 0.997 12 T HN 0.213 nan 8.240 nan 0.000 0.443 13 P HA 0.225 nan 4.420 nan 0.000 0.268 13 P C -0.473 176.797 177.300 -0.049 0.000 1.208 13 P CA -0.301 62.982 63.100 0.304 0.000 0.777 13 P CB 0.489 32.420 31.700 0.386 0.000 0.875 14 D N 0.263 120.430 120.400 -0.389 0.000 2.312 14 D HA 0.371 5.011 4.640 -0.000 0.000 0.248 14 D C -0.534 175.433 176.300 -0.556 0.000 1.086 14 D CA 0.047 53.654 54.000 -0.656 0.000 0.948 14 D CB 0.924 40.930 40.800 -1.323 0.000 1.162 14 D HN -0.042 nan 8.370 nan 0.000 0.446 15 V N 1.550 121.314 119.914 -0.250 0.000 2.612 15 V HA 0.490 4.610 4.120 -0.000 0.000 0.301 15 V C -0.238 175.923 176.094 0.112 0.000 1.059 15 V CA -0.777 61.519 62.300 -0.006 0.000 0.886 15 V CB 1.811 33.640 31.823 0.009 0.000 1.007 15 V HN 0.411 nan 8.190 nan 0.000 0.426 16 R N 2.490 123.138 120.500 0.247 0.000 2.698 16 R HA 0.480 4.819 4.340 -0.000 0.000 0.275 16 R C 0.108 176.476 176.300 0.114 0.000 1.001 16 R CA -1.110 55.093 56.100 0.171 0.000 0.896 16 R CB 1.330 31.752 30.300 0.202 0.000 1.218 16 R HN 0.730 nan 8.270 nan 0.000 0.462 17 N N 1.025 119.765 118.700 0.067 0.000 2.701 17 N HA -0.246 4.494 4.740 -0.000 0.000 0.257 17 N C 0.599 176.137 175.510 0.047 0.000 0.969 17 N CA 1.660 54.737 53.050 0.044 0.000 0.786 17 N CB -0.900 37.603 38.487 0.026 0.000 0.917 17 N HN 0.994 nan 8.380 nan 0.000 0.541 18 G N -1.424 107.410 108.800 0.057 0.000 2.168 18 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.263 18 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.263 18 G C 0.216 175.154 174.900 0.064 0.000 0.977 18 G CA 0.527 45.660 45.100 0.055 0.000 0.659 18 G HN 0.585 nan 8.290 nan 0.000 0.533 19 I N 2.489 123.111 120.570 0.086 0.000 2.312 19 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 19 I C -0.067 176.167 176.117 0.194 0.000 1.008 19 I CA -1.056 60.301 61.300 0.095 0.000 1.226 19 I CB 1.041 39.069 38.000 0.046 0.000 1.371 19 I HN 0.181 nan 8.210 nan 0.000 0.468 20 D N 7.407 127.881 120.400 0.123 0.000 2.341 20 D HA 0.462 5.102 4.640 -0.000 0.000 0.245 20 D C -0.420 175.894 176.300 0.023 0.000 1.106 20 D CA -0.004 54.054 54.000 0.097 0.000 0.905 20 D CB 1.373 42.251 40.800 0.130 0.000 1.202 20 D HN 0.440 nan 8.370 nan 0.000 0.426 21 F N -2.133 117.643 119.950 -0.290 0.000 3.122 21 F HA 0.669 5.196 4.527 -0.000 0.000 0.325 21 F C -1.620 173.994 175.800 -0.310 0.000 1.162 21 F CA -1.383 56.211 58.000 -0.677 0.000 0.876 21 F CB 1.565 40.329 39.000 -0.394 0.000 1.429 21 F HN 0.350 nan 8.300 nan 0.000 0.484 22 K N 2.024 122.421 120.400 -0.005 0.000 2.604 22 K HA 0.557 4.876 4.320 -0.000 0.000 0.313 22 K C -2.014 174.838 176.600 0.420 0.000 1.206 22 K CA -0.261 56.160 56.287 0.224 0.000 1.059 22 K CB 1.046 33.864 32.500 0.530 0.000 1.363 22 K HN 0.879 nan 8.250 nan 0.000 0.494 23 I N 0.069 120.848 120.570 0.348 0.000 3.108 23 I HA 0.752 4.922 4.170 -0.000 0.000 0.312 23 I C 1.074 177.272 176.117 0.136 0.000 1.095 23 I CA -1.063 60.436 61.300 0.331 0.000 1.000 23 I CB 1.959 40.112 38.000 0.255 0.000 1.229 23 I HN 0.439 nan 8.210 nan 0.000 0.454 24 A N 1.191 124.120 122.820 0.182 0.000 1.849 24 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 24 A C 0.668 178.286 177.584 0.057 0.000 1.202 24 A CA 2.399 54.484 52.037 0.080 0.000 0.629 24 A CB -0.514 18.593 19.000 0.177 0.000 0.834 24 A HN 0.904 nan 8.150 nan 0.000 0.447 25 D N -2.273 118.183 120.400 0.093 0.000 2.470 25 D HA 0.351 4.991 4.640 -0.000 0.000 0.233 25 D C 0.357 176.700 176.300 0.071 0.000 1.372 25 D CA -0.408 53.639 54.000 0.077 0.000 0.994 25 D CB 0.421 41.265 40.800 0.073 0.000 1.377 25 D HN 0.068 nan 8.370 nan 0.000 0.586 26 L N 1.895 123.154 121.223 0.060 0.000 2.349 26 L HA -0.144 4.195 4.340 -0.000 0.000 0.220 26 L C 1.976 178.855 176.870 0.016 0.000 1.130 26 L CA 1.306 56.149 54.840 0.004 0.000 0.791 26 L CB -0.211 41.835 42.059 -0.022 0.000 0.918 26 L HN 0.385 nan 8.230 nan 0.000 0.444 27 S N -0.818 114.908 115.700 0.042 0.000 2.515 27 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 27 S C 1.683 176.330 174.600 0.078 0.000 0.987 27 S CA 0.475 58.704 58.200 0.049 0.000 0.936 27 S CB -0.311 62.917 63.200 0.047 0.000 0.766 27 S HN 0.422 nan 8.310 nan 0.000 0.528 28 L N 0.843 122.125 121.223 0.099 0.000 2.478 28 L HA 0.123 4.463 4.340 -0.000 0.000 0.223 28 L C 2.831 179.783 176.870 0.137 0.000 1.140 28 L CA 0.529 55.470 54.840 0.167 0.000 0.842 28 L CB -0.719 41.454 42.059 0.191 0.000 0.953 28 L HN 0.410 nan 8.230 nan 0.000 0.452 29 A N 0.229 123.083 122.820 0.057 0.000 1.927 29 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 29 A C 2.069 179.674 177.584 0.036 0.000 1.185 29 A CA 2.264 54.305 52.037 0.007 0.000 0.639 29 A CB -0.472 18.510 19.000 -0.029 0.000 0.820 29 A HN 0.367 nan 8.150 nan 0.000 0.451 30 D N -1.403 119.045 120.400 0.081 0.000 2.097 30 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 30 D C 1.705 178.114 176.300 0.181 0.000 0.989 30 D CA 1.365 55.425 54.000 0.100 0.000 0.827 30 D CB -0.332 40.522 40.800 0.091 0.000 0.966 30 D HN 0.370 nan 8.370 nan 0.000 0.456 31 F N 1.555 121.542 119.950 0.061 0.000 2.134 31 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 31 F C 2.122 178.020 175.800 0.164 0.000 1.097 31 F CA 1.903 59.962 58.000 0.099 0.000 1.264 31 F CB -0.893 38.160 39.000 0.087 0.000 1.001 31 F HN -0.051 nan 8.300 nan 0.000 0.479 32 G N 0.231 109.045 108.800 0.024 0.000 2.446 32 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.217 32 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.217 32 G C 1.813 176.622 174.900 -0.151 0.000 1.168 32 G CA 0.915 45.886 45.100 -0.215 0.000 0.771 32 G HN 0.282 nan 8.290 nan 0.000 0.551 33 R N 0.960 121.428 120.500 -0.052 0.000 2.096 33 R HA 0.048 4.388 4.340 -0.000 0.000 0.235 33 R C 2.491 178.788 176.300 -0.005 0.000 1.127 33 R CA 1.333 57.409 56.100 -0.041 0.000 0.968 33 R CB -0.436 29.853 30.300 -0.019 0.000 0.861 33 R HN 0.416 nan 8.270 nan 0.000 0.440 34 K N -0.059 120.369 120.400 0.047 0.000 2.097 34 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 34 K C 1.925 178.563 176.600 0.064 0.000 1.050 34 K CA 1.439 57.769 56.287 0.073 0.000 0.938 34 K CB -0.035 32.541 32.500 0.126 0.000 0.718 34 K HN 0.273 nan 8.250 nan 0.000 0.442 35 E N 0.587 120.814 120.200 0.045 0.000 2.158 35 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 35 E C 1.888 178.475 176.600 -0.022 0.000 0.982 35 E CA 0.543 56.956 56.400 0.021 0.000 0.823 35 E CB 0.058 29.760 29.700 0.003 0.000 0.766 35 E HN 0.095 nan 8.360 nan 0.000 0.468 36 L N 0.837 122.019 121.223 -0.067 0.000 1.994 36 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 36 L C 2.479 179.342 176.870 -0.012 0.000 1.071 36 L CA 1.631 56.430 54.840 -0.069 0.000 0.745 36 L CB -0.490 41.504 42.059 -0.109 0.000 0.892 36 L HN -0.040 nan 8.230 nan 0.000 0.431 37 R N -0.536 119.972 120.500 0.012 0.000 2.083 37 R HA -0.184 4.155 4.340 -0.000 0.000 0.237 37 R C 2.331 178.730 176.300 0.164 0.000 1.137 37 R CA 1.680 57.824 56.100 0.073 0.000 0.951 37 R CB -0.417 29.926 30.300 0.072 0.000 0.851 37 R HN 0.268 nan 8.270 nan 0.000 0.434 38 I N 0.128 120.763 120.570 0.107 0.000 2.151 38 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 38 I C 2.435 178.635 176.117 0.138 0.000 1.080 38 I CA 1.585 62.948 61.300 0.105 0.000 1.339 38 I CB -0.297 37.738 38.000 0.059 0.000 1.039 38 I HN 0.300 nan 8.210 nan 0.000 0.409 39 A N 0.094 122.969 122.820 0.091 0.000 1.902 39 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 39 A C 2.163 179.796 177.584 0.082 0.000 1.181 39 A CA 1.701 53.785 52.037 0.078 0.000 0.623 39 A CB -0.641 18.380 19.000 0.035 0.000 0.818 39 A HN 0.464 nan 8.150 nan 0.000 0.443 40 E N -0.766 119.468 120.200 0.056 0.000 2.086 40 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 40 E C 1.800 178.384 176.600 -0.027 0.000 1.012 40 E CA 1.888 58.282 56.400 -0.010 0.000 0.812 40 E CB -0.422 29.236 29.700 -0.069 0.000 0.743 40 E HN 0.830 nan 8.360 nan 0.000 0.453 41 H N -0.033 119.053 119.070 0.027 0.000 2.489 41 H HA -0.038 4.518 4.556 -0.000 0.000 0.295 41 H C 1.468 176.846 175.328 0.083 0.000 1.082 41 H CA 0.984 57.057 56.048 0.041 0.000 1.295 41 H CB 0.216 29.998 29.762 0.033 0.000 1.380 41 H HN 0.034 nan 8.280 nan 0.000 0.548 42 E N -0.256 120.067 120.200 0.205 0.000 2.481 42 E HA 0.133 4.483 4.350 -0.000 0.000 0.198 42 E C -0.156 176.582 176.600 0.230 0.000 1.027 42 E CA 0.187 56.747 56.400 0.266 0.000 0.900 42 E CB 0.474 30.303 29.700 0.216 0.000 0.993 42 E HN 0.502 nan 8.360 nan 0.000 0.482 43 M N 0.748 120.397 119.600 0.081 0.000 2.488 43 M HA 0.227 4.707 4.480 -0.000 0.000 0.204 43 M C -2.080 174.170 176.300 -0.085 0.000 0.969 43 M CA -1.630 53.661 55.300 -0.015 0.000 0.720 43 M CB 1.581 34.189 32.600 0.014 0.000 1.427 43 M HN -0.258 nan 8.290 nan 0.000 0.427 44 P HA -0.116 nan 4.420 nan 0.000 0.215 44 P C 1.587 178.708 177.300 -0.298 0.000 1.153 44 P CA 1.519 64.463 63.100 -0.260 0.000 0.853 44 P CB 0.117 31.578 31.700 -0.399 0.000 0.788 45 G N -0.364 108.204 108.800 -0.387 0.000 2.422 45 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 45 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 45 G C 1.506 176.391 174.900 -0.024 0.000 1.146 45 G CA 0.549 45.562 45.100 -0.144 0.000 0.769 45 G HN 0.234 nan 8.290 nan 0.000 0.547 46 L N -0.121 121.099 121.223 -0.006 0.000 2.131 46 L HA 0.071 4.411 4.340 -0.000 0.000 0.206 46 L C 2.919 179.779 176.870 -0.017 0.000 1.087 46 L CA 0.383 55.231 54.840 0.013 0.000 0.767 46 L CB -0.211 41.866 42.059 0.029 0.000 0.917 46 L HN 0.127 nan 8.230 nan 0.000 0.441 47 M N -0.919 118.651 119.600 -0.050 0.000 2.319 47 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 47 M C 2.412 178.680 176.300 -0.053 0.000 1.068 47 M CA 1.182 56.446 55.300 -0.060 0.000 1.118 47 M CB -0.979 31.567 32.600 -0.090 0.000 1.395 47 M HN 0.114 nan 8.290 nan 0.000 0.435 48 S N 1.129 116.793 115.700 -0.061 0.000 2.355 48 S HA -0.010 4.460 4.470 -0.000 0.000 0.222 48 S C 2.068 176.651 174.600 -0.027 0.000 1.031 48 S CA 0.962 59.128 58.200 -0.056 0.000 0.993 48 S CB -0.331 62.824 63.200 -0.076 0.000 0.859 48 S HN 0.407 nan 8.310 nan 0.000 0.453 49 L N 1.175 122.408 121.223 0.017 0.000 2.017 49 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 49 L C 2.748 179.687 176.870 0.116 0.000 1.073 49 L CA 1.283 56.188 54.840 0.107 0.000 0.745 49 L CB -0.539 41.614 42.059 0.156 0.000 0.894 49 L HN 0.223 nan 8.230 nan 0.000 0.432 50 R N -0.161 120.373 120.500 0.057 0.000 2.113 50 R HA -0.203 4.136 4.340 -0.000 0.000 0.244 50 R C 2.476 178.795 176.300 0.031 0.000 1.142 50 R CA 1.640 57.764 56.100 0.041 0.000 0.953 50 R CB -0.391 29.909 30.300 -0.000 0.000 0.860 50 R HN 0.392 nan 8.270 nan 0.000 0.438 51 R N 0.303 120.801 120.500 -0.002 0.000 2.066 51 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 51 R C 2.404 178.678 176.300 -0.043 0.000 1.131 51 R CA 1.618 57.705 56.100 -0.022 0.000 0.955 51 R CB -0.247 30.031 30.300 -0.037 0.000 0.851 51 R HN 0.398 nan 8.270 nan 0.000 0.432 52 E N 0.122 120.267 120.200 -0.091 0.000 2.051 52 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 52 E C 0.633 177.091 176.600 -0.237 0.000 0.991 52 E CA 1.264 57.530 56.400 -0.223 0.000 0.799 52 E CB -0.034 29.440 29.700 -0.376 0.000 0.748 52 E HN 0.340 nan 8.360 nan 0.000 0.449 53 Y N 0.029 120.333 120.300 0.007 0.000 2.583 53 Y HA 0.392 4.942 4.550 -0.000 0.000 0.294 53 Y C 1.540 177.447 175.900 0.011 0.000 1.170 53 Y CA 0.051 58.160 58.100 0.015 0.000 1.265 53 Y CB -0.036 38.435 38.460 0.019 0.000 1.119 53 Y HN 0.217 nan 8.280 nan 0.000 0.522 54 A N 0.234 123.118 122.820 0.106 0.000 1.841 54 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 54 A C 2.137 179.761 177.584 0.068 0.000 1.199 54 A CA 2.180 54.259 52.037 0.070 0.000 0.621 54 A CB -0.422 18.598 19.000 0.033 0.000 0.835 54 A HN 0.388 nan 8.150 nan 0.000 0.445 55 E N -0.386 119.848 120.200 0.056 0.000 2.072 55 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 55 E C 1.863 178.505 176.600 0.070 0.000 0.985 55 E CA 1.347 57.777 56.400 0.050 0.000 0.801 55 E CB -0.369 29.352 29.700 0.035 0.000 0.750 55 E HN 0.235 nan 8.360 nan 0.000 0.452 56 V N 0.435 120.410 119.914 0.101 0.000 2.231 56 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 56 V C 0.633 176.792 176.094 0.109 0.000 1.058 56 V CA 1.934 64.311 62.300 0.127 0.000 1.022 56 V CB -0.585 31.375 31.823 0.229 0.000 0.640 56 V HN 0.483 nan 8.190 nan 0.000 0.445 57 Q N -2.340 117.526 119.800 0.111 0.000 2.454 57 Q HA -0.171 4.169 4.340 -0.000 0.000 0.307 57 Q C -1.659 174.388 176.000 0.078 0.000 1.430 57 Q CA 0.958 56.807 55.803 0.077 0.000 0.786 57 Q CB -1.874 26.902 28.738 0.062 0.000 1.115 57 Q HN 0.545 nan 8.270 nan 0.000 0.389 58 P HA -0.076 nan 4.420 nan 0.000 0.223 58 P C 1.241 178.640 177.300 0.165 0.000 1.151 58 P CA 0.852 63.989 63.100 0.061 0.000 0.787 58 P CB 0.184 31.812 31.700 -0.119 0.000 0.788 59 L N -1.324 119.924 121.223 0.042 0.000 2.667 59 L HA 0.195 4.534 4.340 -0.000 0.000 0.232 59 L C 1.172 177.942 176.870 -0.168 0.000 1.138 59 L CA -0.361 54.407 54.840 -0.121 0.000 0.921 59 L CB -0.309 41.626 42.059 -0.207 0.000 1.180 59 L HN -0.055 nan 8.230 nan 0.000 0.487 60 K N 1.194 121.613 120.400 0.031 0.000 2.511 60 K HA 0.087 4.407 4.320 -0.000 0.000 0.280 60 K C 1.176 177.856 176.600 0.134 0.000 1.008 60 K CA 1.173 57.489 56.287 0.049 0.000 1.050 60 K CB 0.319 32.872 32.500 0.089 0.000 0.889 60 K HN 0.264 nan 8.250 nan 0.000 0.484 61 G N 2.034 110.841 108.800 0.011 0.000 2.258 61 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.233 61 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.233 61 G C 0.109 174.820 174.900 -0.316 0.000 1.006 61 G CA 0.010 45.167 45.100 0.095 0.000 0.620 61 G HN 0.962 nan 8.290 nan 0.000 0.511 62 A N 0.636 122.902 122.820 -0.925 0.000 2.477 62 A HA 0.651 4.971 4.320 -0.000 0.000 0.246 62 A C 0.669 177.863 177.584 -0.651 0.000 1.078 62 A CA 0.467 51.717 52.037 -1.311 0.000 0.770 62 A CB 0.133 18.345 19.000 -1.313 0.000 1.011 62 A HN 0.535 nan 8.150 nan 0.000 0.494 63 R N 2.669 122.787 120.500 -0.638 0.000 2.358 63 R HA 0.380 4.720 4.340 -0.000 0.000 0.309 63 R C -1.242 174.863 176.300 -0.325 0.000 1.026 63 R CA -0.169 55.539 56.100 -0.654 0.000 0.909 63 R CB 1.142 30.599 30.300 -1.404 0.000 1.153 63 R HN 0.689 nan 8.270 nan 0.000 0.515 64 I N 1.769 122.367 120.570 0.047 0.000 2.304 64 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 64 I C 0.161 176.431 176.117 0.255 0.000 1.018 64 I CA -0.225 61.124 61.300 0.082 0.000 1.260 64 I CB 1.701 39.723 38.000 0.036 0.000 1.390 64 I HN 0.380 nan 8.210 nan 0.000 0.475 65 S N 4.679 120.463 115.700 0.141 0.000 2.420 65 S HA 0.507 4.977 4.470 -0.000 0.000 0.313 65 S C 0.295 174.733 174.600 -0.269 0.000 1.079 65 S CA -0.576 57.656 58.200 0.054 0.000 1.104 65 S CB 1.166 64.462 63.200 0.160 0.000 0.969 65 S HN 0.805 nan 8.310 nan 0.000 0.471 66 G N 1.495 109.910 108.800 -0.642 0.000 2.372 66 G HA2 0.502 4.462 3.960 -0.000 0.000 0.323 66 G HA3 0.502 4.462 3.960 -0.000 0.000 0.323 66 G C -0.686 173.402 174.900 -1.354 0.000 1.152 66 G CA -0.498 43.762 45.100 -1.401 0.000 0.906 66 G HN 0.558 nan 8.290 nan 0.000 0.460 67 S N 2.576 117.776 115.700 -0.834 0.000 2.667 67 S HA 0.687 5.157 4.470 -0.000 0.000 0.304 67 S C -0.767 173.616 174.600 -0.362 0.000 1.135 67 S CA -0.674 57.200 58.200 -0.543 0.000 1.125 67 S CB -0.053 62.961 63.200 -0.311 0.000 0.996 67 S HN 0.567 nan 8.310 nan 0.000 0.474 68 L N 4.867 125.962 121.223 -0.213 0.000 2.611 68 L HA 0.373 4.713 4.340 -0.000 0.000 0.260 68 L C -0.770 176.245 176.870 0.241 0.000 0.924 68 L CA -0.780 54.096 54.840 0.059 0.000 0.901 68 L CB 1.505 43.756 42.059 0.321 0.000 1.369 68 L HN 0.741 nan 8.230 nan 0.000 0.415 69 H N 4.300 123.496 119.070 0.210 0.000 3.204 69 H HA -0.150 4.406 4.556 -0.000 0.000 0.278 69 H C 0.328 175.771 175.328 0.191 0.000 0.879 69 H CA 0.433 56.584 56.048 0.171 0.000 1.410 69 H CB 0.392 30.228 29.762 0.123 0.000 1.322 69 H HN 0.380 nan 8.280 nan 0.000 0.544 70 M N 4.794 124.552 119.600 0.264 0.000 3.422 70 M HA 0.055 4.535 4.480 -0.000 0.000 0.248 70 M C -0.057 176.288 176.300 0.075 0.000 1.433 70 M CA -0.441 54.951 55.300 0.153 0.000 1.592 70 M CB -1.102 31.591 32.600 0.154 0.000 1.078 70 M HN 0.599 nan 8.290 nan 0.000 0.578 71 T N -1.944 112.649 114.554 0.065 0.000 2.923 71 T HA 0.478 4.828 4.350 -0.000 0.000 0.281 71 T C 1.173 175.832 174.700 -0.067 0.000 0.995 71 T CA -0.914 61.200 62.100 0.023 0.000 0.985 71 T CB 0.868 69.781 68.868 0.075 0.000 1.114 71 T HN 0.105 nan 8.240 nan 0.000 0.548 72 V N 1.293 121.145 119.914 -0.104 0.000 2.469 72 V HA -0.184 3.936 4.120 -0.000 0.000 0.251 72 V C 2.802 178.867 176.094 -0.048 0.000 1.064 72 V CA 1.867 64.086 62.300 -0.136 0.000 1.066 72 V CB -1.175 30.559 31.823 -0.147 0.000 0.667 72 V HN 0.762 nan 8.190 nan 0.000 0.461 73 Q N -0.095 119.725 119.800 0.034 0.000 2.046 73 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 73 Q C 2.380 178.504 176.000 0.208 0.000 0.975 73 Q CA 2.257 58.141 55.803 0.134 0.000 0.836 73 Q CB -1.021 27.805 28.738 0.145 0.000 0.896 73 Q HN 0.609 nan 8.270 nan 0.000 0.428 74 T N 0.833 115.482 114.554 0.158 0.000 2.777 74 T HA -0.127 4.222 4.350 -0.000 0.000 0.266 74 T C 1.885 176.376 174.700 -0.349 0.000 1.040 74 T CA 1.178 63.212 62.100 -0.110 0.000 1.141 74 T CB -0.570 68.252 68.868 -0.076 0.000 0.868 74 T HN 0.412 nan 8.240 nan 0.000 0.444 75 A N 1.364 124.020 122.820 -0.272 0.000 1.915 75 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 75 A C 2.576 180.007 177.584 -0.254 0.000 1.198 75 A CA 2.129 53.988 52.037 -0.296 0.000 0.647 75 A CB -1.309 17.554 19.000 -0.229 0.000 0.825 75 A HN 0.384 nan 8.150 nan 0.000 0.456 76 V N -0.413 119.407 119.914 -0.156 0.000 2.407 76 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 76 V C 2.458 178.471 176.094 -0.135 0.000 1.055 76 V CA 1.916 64.152 62.300 -0.107 0.000 1.049 76 V CB -0.946 30.859 31.823 -0.030 0.000 0.662 76 V HN 0.600 nan 8.190 nan 0.000 0.455 77 L N 0.222 121.326 121.223 -0.198 0.000 1.988 77 L HA -0.097 4.242 4.340 -0.000 0.000 0.207 77 L C 2.225 178.886 176.870 -0.348 0.000 1.071 77 L CA 1.817 56.482 54.840 -0.293 0.000 0.744 77 L CB -0.622 41.075 42.059 -0.602 0.000 0.893 77 L HN 0.191 nan 8.230 nan 0.000 0.433 78 I N -0.088 120.155 120.570 -0.544 0.000 2.145 78 I HA -0.358 3.811 4.170 -0.000 0.000 0.244 78 I C 2.314 178.262 176.117 -0.282 0.000 1.075 78 I CA 1.907 62.877 61.300 -0.550 0.000 1.332 78 I CB -0.396 37.162 38.000 -0.737 0.000 1.033 78 I HN 0.411 nan 8.210 nan 0.000 0.410 79 E N -0.418 119.637 120.200 -0.242 0.000 2.427 79 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 79 E C 1.996 178.526 176.600 -0.116 0.000 1.028 79 E CA 0.947 57.251 56.400 -0.162 0.000 0.864 79 E CB 0.041 29.645 29.700 -0.159 0.000 0.813 79 E HN 0.514 nan 8.360 nan 0.000 0.514 80 T N 1.405 115.890 114.554 -0.115 0.000 2.770 80 T HA -0.057 4.293 4.350 -0.000 0.000 0.263 80 T C 1.970 176.632 174.700 -0.063 0.000 1.039 80 T CA 0.681 62.738 62.100 -0.071 0.000 1.142 80 T CB -0.071 68.765 68.868 -0.053 0.000 0.868 80 T HN 0.104 nan 8.240 nan 0.000 0.435 81 L N 1.459 122.632 121.223 -0.084 0.000 2.083 81 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 81 L C 3.067 179.900 176.870 -0.062 0.000 1.083 81 L CA 1.587 56.386 54.840 -0.069 0.000 0.752 81 L CB -1.394 40.634 42.059 -0.053 0.000 0.899 81 L HN 0.440 nan 8.230 nan 0.000 0.433 82 T N -2.283 112.235 114.554 -0.061 0.000 2.821 82 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 82 T C 2.000 176.680 174.700 -0.033 0.000 1.046 82 T CA 0.873 62.946 62.100 -0.044 0.000 1.139 82 T CB -0.370 68.469 68.868 -0.048 0.000 0.871 82 T HN 0.291 nan 8.240 nan 0.000 0.454 83 A N 1.492 124.291 122.820 -0.035 0.000 2.019 83 A HA 0.213 4.533 4.320 -0.000 0.000 0.219 83 A C 2.276 179.861 177.584 0.002 0.000 1.164 83 A CA 1.084 53.112 52.037 -0.016 0.000 0.644 83 A CB -0.740 18.249 19.000 -0.019 0.000 0.805 83 A HN 0.600 nan 8.150 nan 0.000 0.449 84 L N -2.036 119.182 121.223 -0.008 0.000 2.607 84 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 84 L C 1.603 178.463 176.870 -0.017 0.000 1.123 84 L CA 0.602 55.443 54.840 0.001 0.000 0.890 84 L CB -0.003 42.043 42.059 -0.021 0.000 1.103 84 L HN 0.584 nan 8.230 nan 0.000 0.468 85 G N -0.217 108.567 108.800 -0.026 0.000 2.316 85 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.203 85 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.203 85 G C 0.448 175.307 174.900 -0.068 0.000 0.999 85 G CA -0.139 44.943 45.100 -0.030 0.000 0.649 85 G HN 0.392 nan 8.290 nan 0.000 0.489 86 A N 0.361 123.117 122.820 -0.106 0.000 2.366 86 A HA 0.645 4.964 4.320 -0.000 0.000 0.249 86 A C 0.259 177.813 177.584 -0.051 0.000 1.084 86 A CA 0.334 52.281 52.037 -0.151 0.000 0.794 86 A CB 0.311 19.205 19.000 -0.177 0.000 1.034 86 A HN 0.424 nan 8.150 nan 0.000 0.491 87 E N -0.606 119.586 120.200 -0.014 0.000 2.204 87 E HA 0.485 4.835 4.350 -0.000 0.000 0.276 87 E C -0.628 176.161 176.600 0.315 0.000 0.974 87 E CA -0.611 55.885 56.400 0.160 0.000 0.815 87 E CB 1.900 31.755 29.700 0.257 0.000 1.119 87 E HN 0.634 nan 8.360 nan 0.000 0.393 88 V N 0.796 120.881 119.914 0.285 0.000 3.102 88 V HA 0.730 4.850 4.120 -0.000 0.000 0.312 88 V C -1.183 174.959 176.094 0.081 0.000 1.135 88 V CA -0.800 61.678 62.300 0.296 0.000 1.022 88 V CB 2.138 34.136 31.823 0.292 0.000 1.056 88 V HN 0.660 nan 8.190 nan 0.000 0.436 89 R N 2.644 123.169 120.500 0.042 0.000 2.651 89 R HA 0.565 4.905 4.340 -0.000 0.000 0.278 89 R C -1.811 174.572 176.300 0.138 0.000 1.010 89 R CA -0.437 55.626 56.100 -0.063 0.000 0.896 89 R CB 2.254 32.289 30.300 -0.442 0.000 1.211 89 R HN 0.868 nan 8.270 nan 0.000 0.456 90 W N 1.204 122.486 121.300 -0.030 0.000 2.936 90 W HA 0.747 5.407 4.660 -0.000 0.000 0.338 90 W C -1.499 175.040 176.519 0.034 0.000 1.121 90 W CA -0.471 56.861 57.345 -0.021 0.000 1.209 90 W CB 2.382 31.811 29.460 -0.052 0.000 1.420 90 W HN 0.664 nan 8.180 nan 0.000 0.516 91 A N 2.347 125.152 122.820 -0.026 0.000 2.520 91 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 91 A C -0.610 176.954 177.584 -0.033 0.000 1.051 91 A CA -0.427 51.604 52.037 -0.009 0.000 0.690 91 A CB 1.810 20.695 19.000 -0.192 0.000 1.281 91 A HN 0.422 nan 8.150 nan 0.000 0.402 92 S N -0.703 115.014 115.700 0.029 0.000 2.587 92 S HA 0.201 4.671 4.470 -0.000 0.000 0.260 92 S C 1.031 175.598 174.600 -0.055 0.000 1.353 92 S CA 0.357 58.586 58.200 0.048 0.000 0.995 92 S CB 0.099 63.347 63.200 0.080 0.000 0.912 92 S HN 1.826 nan 8.310 nan 0.000 0.568 93 C N 1.587 120.844 119.300 -0.072 0.000 3.115 93 C HA 0.632 5.092 4.460 -0.000 0.000 0.277 93 C C -0.081 174.921 174.990 0.020 0.000 1.460 93 C CA -0.886 58.106 59.018 -0.042 0.000 1.789 93 C CB -2.015 25.584 27.740 -0.235 0.000 2.674 93 C HN 0.726 nan 8.230 nan 0.000 0.582 94 N N 0.450 119.210 118.700 0.099 0.000 2.371 94 N HA 0.459 5.199 4.740 -0.000 0.000 0.280 94 N C 0.525 176.019 175.510 -0.027 0.000 1.084 94 N CA -0.674 52.380 53.050 0.008 0.000 0.892 94 N CB 1.209 39.830 38.487 0.224 0.000 1.653 94 N HN 0.297 nan 8.380 nan 0.000 0.480 95 I N -0.876 119.520 120.570 -0.290 0.000 2.756 95 I HA 0.110 4.280 4.170 -0.000 0.000 0.262 95 I C 0.014 176.004 176.117 -0.212 0.000 1.225 95 I CA 1.131 62.225 61.300 -0.343 0.000 1.472 95 I CB -0.245 37.391 38.000 -0.606 0.000 1.094 95 I HN 0.263 nan 8.210 nan 0.000 0.454 96 F N 1.021 120.996 119.950 0.041 0.000 2.728 96 F HA 0.212 4.739 4.527 -0.000 0.000 0.314 96 F C 2.489 178.331 175.800 0.070 0.000 1.094 96 F CA -0.109 57.923 58.000 0.054 0.000 1.217 96 F CB -0.489 38.538 39.000 0.045 0.000 1.056 96 F HN 0.112 nan 8.300 nan 0.000 0.577 97 S N -1.611 114.235 115.700 0.243 0.000 2.461 97 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 97 S C 1.040 175.749 174.600 0.181 0.000 1.005 97 S CA 0.276 58.593 58.200 0.194 0.000 0.942 97 S CB -0.985 62.384 63.200 0.281 0.000 0.776 97 S HN 0.119 nan 8.310 nan 0.000 0.514 98 T N 3.240 117.905 114.554 0.185 0.000 2.902 98 T HA 0.126 4.476 4.350 -0.000 0.000 0.301 98 T C -0.251 174.552 174.700 0.171 0.000 1.012 98 T CA 0.309 62.511 62.100 0.170 0.000 1.151 98 T CB 0.479 69.448 68.868 0.168 0.000 0.946 98 T HN 0.422 nan 8.240 nan 0.000 0.542 99 Q N 2.548 122.435 119.800 0.146 0.000 2.430 99 Q HA 0.155 4.494 4.340 -0.000 0.000 0.245 99 Q C 0.266 176.383 176.000 0.194 0.000 1.021 99 Q CA -0.676 55.237 55.803 0.183 0.000 0.867 99 Q CB 1.012 29.841 28.738 0.152 0.000 1.210 99 Q HN 0.543 nan 8.270 nan 0.000 0.487 100 D N 1.022 121.565 120.400 0.238 0.000 2.265 100 D HA -0.201 4.438 4.640 -0.000 0.000 0.208 100 D C 1.626 178.029 176.300 0.173 0.000 0.977 100 D CA 1.272 55.397 54.000 0.209 0.000 0.871 100 D CB 0.150 41.082 40.800 0.219 0.000 0.925 100 D HN 0.649 nan 8.370 nan 0.000 0.485 101 H N -0.212 118.842 119.070 -0.025 0.000 2.502 101 H HA 0.276 4.832 4.556 -0.000 0.000 0.283 101 H C 1.679 176.913 175.328 -0.156 0.000 1.015 101 H CA 1.102 57.080 56.048 -0.117 0.000 1.298 101 H CB -0.359 29.204 29.762 -0.331 0.000 1.411 101 H HN 0.074 nan 8.280 nan 0.000 0.556 102 A N 1.456 123.993 122.820 -0.471 0.000 1.903 102 A HA 0.297 4.617 4.320 -0.000 0.000 0.213 102 A C 2.697 180.145 177.584 -0.226 0.000 1.185 102 A CA 1.230 53.004 52.037 -0.439 0.000 0.628 102 A CB -0.807 17.960 19.000 -0.388 0.000 0.830 102 A HN 0.531 nan 8.150 nan 0.000 0.446 103 A N 0.104 122.853 122.820 -0.118 0.000 1.930 103 A HA 0.210 4.529 4.320 -0.000 0.000 0.217 103 A C 2.456 179.980 177.584 -0.100 0.000 1.175 103 A CA 1.877 53.872 52.037 -0.070 0.000 0.627 103 A CB -0.930 18.094 19.000 0.040 0.000 0.815 103 A HN 0.948 nan 8.150 nan 0.000 0.443 104 A N 0.133 122.907 122.820 -0.077 0.000 1.865 104 A HA 0.093 4.412 4.320 -0.000 0.000 0.217 104 A C 2.535 180.033 177.584 -0.143 0.000 1.191 104 A CA 2.337 54.317 52.037 -0.096 0.000 0.623 104 A CB -1.166 17.816 19.000 -0.029 0.000 0.826 104 A HN 1.117 nan 8.150 nan 0.000 0.444 105 A N -0.745 121.991 122.820 -0.140 0.000 1.933 105 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 105 A C 2.224 179.706 177.584 -0.170 0.000 1.175 105 A CA 1.822 53.770 52.037 -0.149 0.000 0.628 105 A CB -0.877 18.026 19.000 -0.162 0.000 0.814 105 A HN 0.415 nan 8.150 nan 0.000 0.444 106 V N -0.546 119.254 119.914 -0.191 0.000 2.358 106 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 106 V C 2.546 178.520 176.094 -0.199 0.000 1.047 106 V CA 1.906 64.085 62.300 -0.202 0.000 1.035 106 V CB -0.753 30.933 31.823 -0.229 0.000 0.658 106 V HN 0.367 nan 8.190 nan 0.000 0.452 107 V N -0.149 119.624 119.914 -0.235 0.000 2.343 107 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 107 V C 2.330 178.262 176.094 -0.270 0.000 1.051 107 V CA 1.903 64.013 62.300 -0.316 0.000 1.036 107 V CB -0.285 31.201 31.823 -0.561 0.000 0.654 107 V HN 0.437 nan 8.190 nan 0.000 0.451 108 V N -0.559 119.220 119.914 -0.225 0.000 2.788 108 V HA 0.330 4.450 4.120 -0.000 0.000 0.251 108 V C 1.214 177.242 176.094 -0.111 0.000 1.068 108 V CA 0.891 63.095 62.300 -0.159 0.000 1.090 108 V CB -1.075 30.672 31.823 -0.127 0.000 0.710 108 V HN 0.763 nan 8.190 nan 0.000 0.467 109 G N 0.877 109.603 108.800 -0.123 0.000 2.787 109 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.685 109 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.685 109 G C -1.613 173.218 174.900 -0.114 0.000 1.437 109 G CA -0.168 44.865 45.100 -0.110 0.000 0.872 109 G HN 0.226 nan 8.290 nan 0.000 0.566 110 P HA -0.014 nan 4.420 nan 0.000 0.230 110 P C 0.766 177.889 177.300 -0.294 0.000 1.158 110 P CA 1.443 64.385 63.100 -0.265 0.000 0.769 110 P CB 0.099 31.570 31.700 -0.383 0.000 0.807 111 H N -2.069 116.979 119.070 -0.036 0.000 3.233 111 H HA 0.367 4.923 4.556 -0.000 0.000 0.263 111 H C 1.219 176.530 175.328 -0.028 0.000 1.168 111 H CA 0.019 56.051 56.048 -0.026 0.000 1.159 111 H CB 0.521 30.270 29.762 -0.022 0.000 1.593 111 H HN 0.055 nan 8.280 nan 0.000 0.580 112 G N 0.435 109.272 108.800 0.060 0.000 2.568 112 G HA2 0.471 4.430 3.960 -0.000 0.000 0.293 112 G HA3 0.471 4.430 3.960 -0.000 0.000 0.293 112 G C -0.173 174.731 174.900 0.005 0.000 1.347 112 G CA -0.113 44.998 45.100 0.020 0.000 1.039 112 G HN 0.220 nan 8.290 nan 0.000 0.523 113 T N -3.185 111.363 114.554 -0.009 0.000 2.883 113 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 113 T C -2.333 172.351 174.700 -0.028 0.000 1.117 113 T CA -1.391 60.702 62.100 -0.011 0.000 1.006 113 T CB 2.106 70.975 68.868 0.002 0.000 1.191 113 T HN 0.128 nan 8.240 nan 0.000 0.508 114 P HA -0.093 nan 4.420 nan 0.000 0.216 114 P C 0.731 178.025 177.300 -0.009 0.000 1.150 114 P CA 1.213 64.294 63.100 -0.031 0.000 0.843 114 P CB -0.030 31.665 31.700 -0.008 0.000 0.787 115 D N -1.055 119.348 120.400 0.005 0.000 2.117 115 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 115 D C 0.912 177.222 176.300 0.016 0.000 0.987 115 D CA 1.193 55.203 54.000 0.016 0.000 0.829 115 D CB -0.228 40.581 40.800 0.015 0.000 0.961 115 D HN 0.244 nan 8.370 nan 0.000 0.460 116 E N 0.187 120.390 120.200 0.004 0.000 3.037 116 E HA 0.225 4.575 4.350 -0.000 0.000 0.220 116 E C -2.672 173.921 176.600 -0.012 0.000 1.142 116 E CA -2.180 54.222 56.400 0.004 0.000 0.888 116 E CB 1.264 30.969 29.700 0.008 0.000 1.329 116 E HN -0.076 nan 8.360 nan 0.000 0.409 117 P HA -0.003 nan 4.420 nan 0.000 0.266 117 P C -0.715 176.556 177.300 -0.047 0.000 1.195 117 P CA 0.223 63.278 63.100 -0.075 0.000 0.768 117 P CB 0.519 32.132 31.700 -0.145 0.000 0.838 118 K N 1.940 122.311 120.400 -0.049 0.000 3.165 118 K HA 0.347 4.667 4.320 -0.000 0.000 0.206 118 K C 0.538 177.113 176.600 -0.041 0.000 1.123 118 K CA -0.289 55.984 56.287 -0.023 0.000 0.978 118 K CB 1.160 33.669 32.500 0.015 0.000 0.749 118 K HN 0.552 nan 8.250 nan 0.000 0.454 119 G N 0.402 109.156 108.800 -0.077 0.000 3.387 119 G HA2 0.551 4.511 3.960 -0.000 0.000 0.194 119 G HA3 0.551 4.511 3.960 -0.000 0.000 0.194 119 G C -0.433 174.416 174.900 -0.084 0.000 1.417 119 G CA -0.186 44.858 45.100 -0.094 0.000 0.777 119 G HN 0.052 nan 8.290 nan 0.000 0.721 120 V N -2.769 117.079 119.914 -0.109 0.000 3.007 120 V HA 0.659 4.779 4.120 -0.000 0.000 0.311 120 V C -2.983 173.049 176.094 -0.105 0.000 1.120 120 V CA -2.648 59.604 62.300 -0.080 0.000 0.980 120 V CB 1.785 33.577 31.823 -0.053 0.000 1.033 120 V HN 0.367 nan 8.190 nan 0.000 0.429 121 P HA 0.236 nan 4.420 nan 0.000 0.260 121 P C -0.706 176.504 177.300 -0.151 0.000 1.185 121 P CA 0.401 63.413 63.100 -0.147 0.000 0.763 121 P CB 0.556 32.199 31.700 -0.095 0.000 0.776 122 V N 5.290 125.044 119.914 -0.267 0.000 2.540 122 V HA 0.430 4.549 4.120 -0.000 0.000 0.302 122 V C -0.338 175.579 176.094 -0.296 0.000 1.035 122 V CA -0.303 61.924 62.300 -0.121 0.000 0.873 122 V CB 1.535 33.334 31.823 -0.040 0.000 0.992 122 V HN 0.308 nan 8.190 nan 0.000 0.428 123 F N 3.251 123.298 119.950 0.163 0.000 2.550 123 F HA 0.781 5.308 4.527 -0.000 0.000 0.348 123 F C 0.358 176.275 175.800 0.195 0.000 1.219 123 F CA -0.304 57.830 58.000 0.223 0.000 1.203 123 F CB 1.361 40.362 39.000 0.002 0.000 1.436 123 F HN 0.555 nan 8.300 nan 0.000 0.541 124 A N 2.095 125.165 122.820 0.415 0.000 2.459 124 A HA 0.816 5.136 4.320 -0.000 0.000 0.296 124 A C -1.709 176.163 177.584 0.480 0.000 1.039 124 A CA -0.715 51.474 52.037 0.253 0.000 0.698 124 A CB 0.933 20.045 19.000 0.186 0.000 1.261 124 A HN 0.685 nan 8.150 nan 0.000 0.405 125 W N 1.240 122.652 121.300 0.187 0.000 3.075 125 W HA 0.741 5.401 4.660 -0.000 0.000 0.334 125 W C -0.683 175.950 176.519 0.189 0.000 1.243 125 W CA -0.963 56.485 57.345 0.173 0.000 1.170 125 W CB 1.196 30.754 29.460 0.164 0.000 1.452 125 W HN 0.647 nan 8.180 nan 0.000 0.572 126 K N 1.504 122.120 120.400 0.361 0.000 2.312 126 K HA 0.480 4.800 4.320 -0.000 0.000 0.287 126 K C 0.555 177.368 176.600 0.354 0.000 1.062 126 K CA 0.525 56.984 56.287 0.286 0.000 0.934 126 K CB 0.314 32.967 32.500 0.255 0.000 1.027 126 K HN 1.259 nan 8.250 nan 0.000 0.478 127 G N 3.219 112.237 108.800 0.362 0.000 2.309 127 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.183 127 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.183 127 G C -0.477 174.623 174.900 0.333 0.000 1.063 127 G CA -0.454 44.908 45.100 0.437 0.000 0.768 127 G HN 0.663 nan 8.290 nan 0.000 0.490 128 E N 0.406 120.650 120.200 0.072 0.000 2.369 128 E HA 0.544 4.893 4.350 -0.000 0.000 0.255 128 E C 1.073 177.729 176.600 0.093 0.000 1.172 128 E CA 0.221 56.601 56.400 -0.033 0.000 0.932 128 E CB 0.680 30.153 29.700 -0.377 0.000 1.040 128 E HN 0.436 nan 8.360 nan 0.000 0.454 129 T N -1.741 112.900 114.554 0.145 0.000 2.934 129 T HA 0.267 4.617 4.350 -0.000 0.000 0.283 129 T C 1.316 176.088 174.700 0.121 0.000 1.005 129 T CA -0.777 61.403 62.100 0.134 0.000 1.041 129 T CB 0.606 69.573 68.868 0.165 0.000 1.042 129 T HN 0.389 nan 8.240 nan 0.000 0.505 130 L N 0.235 121.527 121.223 0.116 0.000 2.137 130 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 130 L C 2.688 179.765 176.870 0.346 0.000 1.085 130 L CA 1.593 56.543 54.840 0.183 0.000 0.760 130 L CB -0.680 41.491 42.059 0.188 0.000 0.893 130 L HN 0.728 nan 8.230 nan 0.000 0.434 131 E N 0.095 120.461 120.200 0.277 0.000 2.046 131 E HA -0.177 4.172 4.350 -0.000 0.000 0.190 131 E C 2.108 178.906 176.600 0.329 0.000 0.982 131 E CA 1.032 57.608 56.400 0.293 0.000 0.800 131 E CB -0.090 29.724 29.700 0.189 0.000 0.756 131 E HN 0.437 nan 8.360 nan 0.000 0.449 132 E N -0.331 120.034 120.200 0.275 0.000 2.077 132 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 132 E C 1.831 178.572 176.600 0.236 0.000 0.989 132 E CA 0.942 57.535 56.400 0.323 0.000 0.800 132 E CB -0.251 29.659 29.700 0.351 0.000 0.746 132 E HN 0.281 nan 8.360 nan 0.000 0.452 133 Y N -0.080 120.204 120.300 -0.026 0.000 2.069 133 Y HA -0.314 4.236 4.550 -0.000 0.000 0.278 133 Y C 1.670 177.465 175.900 -0.176 0.000 1.175 133 Y CA 1.994 59.962 58.100 -0.221 0.000 1.134 133 Y CB -0.410 37.824 38.460 -0.378 0.000 0.965 133 Y HN 0.098 nan 8.280 nan 0.000 0.498 134 W N -1.613 119.773 121.300 0.143 0.000 2.476 134 W HA -0.071 4.589 4.660 -0.000 0.000 0.281 134 W C 2.297 178.833 176.519 0.029 0.000 1.230 134 W CA 0.668 58.054 57.345 0.068 0.000 1.287 134 W CB -0.982 28.593 29.460 0.191 0.000 1.108 134 W HN 0.316 nan 8.180 nan 0.000 0.567 135 W N 1.503 122.901 121.300 0.163 0.000 2.333 135 W HA -0.285 4.375 4.660 -0.000 0.000 0.316 135 W C 2.331 178.819 176.519 -0.051 0.000 1.215 135 W CA 3.213 60.602 57.345 0.073 0.000 1.278 135 W CB -0.776 28.746 29.460 0.104 0.000 1.154 135 W HN -0.140 nan 8.180 nan 0.000 0.486 136 A N 1.011 123.794 122.820 -0.063 0.000 1.908 136 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 136 A C 2.150 179.418 177.584 -0.527 0.000 1.181 136 A CA 2.964 54.750 52.037 -0.418 0.000 0.627 136 A CB -1.665 17.257 19.000 -0.130 0.000 0.818 136 A HN 0.557 nan 8.150 nan 0.000 0.445 137 A N -0.369 122.184 122.820 -0.444 0.000 1.873 137 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 137 A C 2.093 179.554 177.584 -0.205 0.000 1.193 137 A CA 2.045 53.880 52.037 -0.337 0.000 0.629 137 A CB -0.676 18.183 19.000 -0.236 0.000 0.826 137 A HN 0.694 nan 8.150 nan 0.000 0.447 138 E N -1.018 119.102 120.200 -0.133 0.000 2.106 138 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 138 E C 2.135 178.545 176.600 -0.317 0.000 0.984 138 E CA 1.074 57.449 56.400 -0.043 0.000 0.806 138 E CB -0.129 29.613 29.700 0.071 0.000 0.750 138 E HN 0.568 nan 8.360 nan 0.000 0.458 139 Q N 0.288 119.645 119.800 -0.738 0.000 2.096 139 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 139 Q C 2.149 177.584 176.000 -0.941 0.000 0.982 139 Q CA 1.482 56.608 55.803 -1.129 0.000 0.850 139 Q CB -0.498 26.936 28.738 -2.172 0.000 0.901 139 Q HN 0.442 nan 8.270 nan 0.000 0.422 140 M N -0.178 119.001 119.600 -0.702 0.000 2.296 140 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 140 M C 1.474 177.622 176.300 -0.253 0.000 1.064 140 M CA 1.316 56.402 55.300 -0.357 0.000 1.109 140 M CB -0.261 32.206 32.600 -0.221 0.000 1.396 140 M HN 0.171 nan 8.290 nan 0.000 0.430 141 L N 0.170 121.308 121.223 -0.142 0.000 2.558 141 L HA 0.068 4.408 4.340 -0.000 0.000 0.225 141 L C 0.088 177.030 176.870 0.119 0.000 1.128 141 L CA 0.167 55.050 54.840 0.070 0.000 0.868 141 L CB 0.050 42.243 42.059 0.223 0.000 1.006 141 L HN 0.119 nan 8.230 nan 0.000 0.454 142 T N -0.086 114.425 114.554 -0.072 0.000 2.929 142 T HA 0.182 4.531 4.350 -0.000 0.000 0.331 142 T C -0.721 173.940 174.700 -0.066 0.000 1.120 142 T CA -0.451 61.616 62.100 -0.055 0.000 0.973 142 T CB -0.010 68.764 68.868 -0.157 0.000 1.036 142 T HN 0.019 nan 8.240 nan 0.000 0.502 143 W N 4.282 125.540 121.300 -0.071 0.000 2.202 143 W HA 0.272 4.932 4.660 -0.000 0.000 0.332 143 W C -0.930 175.568 176.519 -0.036 0.000 1.263 143 W CA -1.864 55.458 57.345 -0.039 0.000 1.223 143 W CB 0.123 29.563 29.460 -0.034 0.000 1.128 143 W HN 0.422 nan 8.180 nan 0.000 0.573 144 P HA -0.208 nan 4.420 nan 0.000 0.216 144 P C 0.156 177.512 177.300 0.093 0.000 1.153 144 P CA 1.595 64.756 63.100 0.102 0.000 0.858 144 P CB 0.189 31.948 31.700 0.098 0.000 0.789 145 D N 0.109 120.582 120.400 0.122 0.000 2.313 145 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 145 D C -1.432 174.897 176.300 0.048 0.000 1.142 145 D CA -2.519 51.523 54.000 0.071 0.000 0.847 145 D CB 1.210 42.050 40.800 0.066 0.000 1.082 145 D HN 0.020 nan 8.370 nan 0.000 0.480 146 P HA -0.056 nan 4.420 nan 0.000 0.230 146 P C 0.284 177.577 177.300 -0.013 0.000 1.158 146 P CA 0.604 63.701 63.100 -0.005 0.000 0.769 146 P CB 0.629 32.318 31.700 -0.018 0.000 0.807 147 D N 0.269 120.664 120.400 -0.008 0.000 2.271 147 D HA 0.010 4.650 4.640 -0.000 0.000 0.206 147 D C 0.700 176.982 176.300 -0.030 0.000 0.967 147 D CA 0.837 54.828 54.000 -0.015 0.000 0.867 147 D CB 0.212 41.007 40.800 -0.009 0.000 0.960 147 D HN 0.309 nan 8.370 nan 0.000 0.509 148 K N 1.447 121.827 120.400 -0.033 0.000 2.682 148 K HA 0.311 4.631 4.320 -0.000 0.000 0.189 148 K C -2.640 173.869 176.600 -0.151 0.000 1.062 148 K CA -1.454 54.781 56.287 -0.087 0.000 0.997 148 K CB 1.994 34.450 32.500 -0.073 0.000 1.405 148 K HN -0.026 nan 8.250 nan 0.000 0.588 149 P HA -0.014 nan 4.420 nan 0.000 0.274 149 P C -0.325 176.671 177.300 -0.508 0.000 1.260 149 P CA -0.418 62.569 63.100 -0.187 0.000 0.793 149 P CB 0.498 32.144 31.700 -0.091 0.000 1.048 150 A N 1.669 124.171 122.820 -0.530 0.000 2.587 150 A HA -0.016 4.304 4.320 -0.000 0.000 0.235 150 A C 0.812 178.193 177.584 -0.337 0.000 1.044 150 A CA 0.593 52.319 52.037 -0.519 0.000 0.754 150 A CB -0.860 18.143 19.000 0.005 0.000 0.968 150 A HN 0.753 nan 8.150 nan 0.000 0.509 151 N N 0.458 118.951 118.700 -0.345 0.000 2.170 151 N HA 0.253 4.993 4.740 -0.000 0.000 0.222 151 N C -0.539 174.886 175.510 -0.142 0.000 1.218 151 N CA -0.091 52.849 53.050 -0.183 0.000 0.889 151 N CB 0.531 38.970 38.487 -0.080 0.000 1.083 151 N HN 0.420 nan 8.380 nan 0.000 0.520 152 M N 0.519 120.001 119.600 -0.196 0.000 2.534 152 M HA 0.440 4.919 4.480 -0.000 0.000 0.280 152 M C -1.674 174.525 176.300 -0.168 0.000 1.217 152 M CA -0.420 54.776 55.300 -0.173 0.000 0.893 152 M CB 2.230 34.737 32.600 -0.155 0.000 1.730 152 M HN -0.070 nan 8.290 nan 0.000 0.483 153 I N 2.072 122.533 120.570 -0.181 0.000 2.533 153 I HA 0.509 4.679 4.170 -0.000 0.000 0.290 153 I C -1.129 174.907 176.117 -0.135 0.000 1.056 153 I CA -0.643 60.562 61.300 -0.159 0.000 1.057 153 I CB 2.725 40.628 38.000 -0.161 0.000 1.240 153 I HN 0.528 nan 8.210 nan 0.000 0.423 154 L N 5.791 126.904 121.223 -0.184 0.000 2.298 154 L HA 0.558 4.898 4.340 -0.000 0.000 0.284 154 L C -1.360 175.385 176.870 -0.209 0.000 1.013 154 L CA -0.062 54.680 54.840 -0.164 0.000 0.824 154 L CB 1.096 43.052 42.059 -0.173 0.000 1.221 154 L HN 0.556 nan 8.230 nan 0.000 0.418 155 D N 2.448 122.788 120.400 -0.100 0.000 2.732 155 D HA 0.357 4.996 4.640 -0.000 0.000 0.229 155 D C -1.725 174.555 176.300 -0.032 0.000 1.152 155 D CA -0.292 53.654 54.000 -0.090 0.000 0.854 155 D CB 2.272 43.046 40.800 -0.045 0.000 1.590 155 D HN 0.307 nan 8.370 nan 0.000 0.468 156 D N 1.337 121.707 120.400 -0.050 0.000 2.421 156 D HA 0.501 5.141 4.640 -0.000 0.000 0.254 156 D C 0.716 176.991 176.300 -0.042 0.000 1.238 156 D CA 0.275 54.255 54.000 -0.033 0.000 0.919 156 D CB 0.731 41.497 40.800 -0.056 0.000 1.152 156 D HN 0.629 nan 8.370 nan 0.000 0.552 157 G N 2.102 110.899 108.800 -0.004 0.000 2.195 157 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.224 157 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.224 157 G C 1.046 176.040 174.900 0.158 0.000 0.990 157 G CA 0.373 45.489 45.100 0.027 0.000 0.639 157 G HN 1.502 nan 8.290 nan 0.000 0.514 158 G N -0.382 108.491 108.800 0.122 0.000 2.159 158 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 158 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 158 G C 0.737 175.756 174.900 0.198 0.000 0.977 158 G CA 1.127 46.324 45.100 0.162 0.000 0.652 158 G HN 0.620 nan 8.290 nan 0.000 0.531 159 D N 0.443 120.960 120.400 0.194 0.000 2.117 159 D HA 0.097 4.737 4.640 -0.000 0.000 0.198 159 D C 2.681 179.132 176.300 0.252 0.000 0.982 159 D CA 1.663 55.817 54.000 0.257 0.000 0.828 159 D CB -0.469 40.454 40.800 0.205 0.000 0.967 159 D HN 0.671 nan 8.370 nan 0.000 0.464 160 A N 0.169 123.059 122.820 0.118 0.000 1.930 160 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 160 A C 2.332 179.976 177.584 0.100 0.000 1.175 160 A CA 1.900 53.982 52.037 0.075 0.000 0.627 160 A CB -0.771 18.206 19.000 -0.037 0.000 0.815 160 A HN 0.208 nan 8.150 nan 0.000 0.443 161 T N -0.148 114.478 114.554 0.121 0.000 2.746 161 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 161 T C 1.951 176.717 174.700 0.110 0.000 1.039 161 T CA 1.784 63.973 62.100 0.148 0.000 1.142 161 T CB -0.326 68.647 68.868 0.174 0.000 0.866 161 T HN 0.536 nan 8.240 nan 0.000 0.444 162 M N 0.638 120.353 119.600 0.191 0.000 2.108 162 M HA -0.074 4.406 4.480 -0.000 0.000 0.261 162 M C 2.052 178.464 176.300 0.187 0.000 1.066 162 M CA 1.444 56.884 55.300 0.233 0.000 1.107 162 M CB -0.401 32.325 32.600 0.210 0.000 1.356 162 M HN 0.152 nan 8.290 nan 0.000 0.406 163 L N -0.176 121.162 121.223 0.191 0.000 1.990 163 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 163 L C 2.269 178.877 176.870 -0.436 0.000 1.072 163 L CA 1.812 56.613 54.840 -0.065 0.000 0.755 163 L CB -0.834 41.134 42.059 -0.152 0.000 0.889 163 L HN 0.249 nan 8.230 nan 0.000 0.432 164 V N -0.644 119.136 119.914 -0.222 0.000 2.343 164 V HA -0.294 3.825 4.120 -0.000 0.000 0.247 164 V C 2.416 178.479 176.094 -0.052 0.000 1.051 164 V CA 1.975 64.240 62.300 -0.057 0.000 1.036 164 V CB -0.511 31.418 31.823 0.177 0.000 0.654 164 V HN 0.413 nan 8.190 nan 0.000 0.451 165 L N -1.102 120.050 121.223 -0.118 0.000 2.209 165 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 165 L C 2.809 179.561 176.870 -0.196 0.000 1.094 165 L CA 0.804 55.499 54.840 -0.241 0.000 0.790 165 L CB -0.521 41.150 42.059 -0.648 0.000 0.932 165 L HN 0.205 nan 8.230 nan 0.000 0.447 166 R N 0.516 120.946 120.500 -0.116 0.000 2.073 166 R HA -0.002 4.338 4.340 -0.000 0.000 0.229 166 R C 2.290 178.310 176.300 -0.467 0.000 1.120 166 R CA 1.254 57.219 56.100 -0.224 0.000 0.967 166 R CB -1.295 29.059 30.300 0.090 0.000 0.862 166 R HN 0.326 nan 8.270 nan 0.000 0.436 167 G N 0.969 109.554 108.800 -0.358 0.000 2.442 167 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 167 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 167 G C 1.484 176.385 174.900 0.002 0.000 1.141 167 G CA 0.826 45.733 45.100 -0.321 0.000 0.763 167 G HN 0.293 nan 8.290 nan 0.000 0.554 168 M N -0.244 119.354 119.600 -0.004 0.000 2.394 168 M HA 0.068 4.548 4.480 -0.000 0.000 0.264 168 M C 2.491 178.757 176.300 -0.057 0.000 1.073 168 M CA 1.174 56.507 55.300 0.055 0.000 1.111 168 M CB -0.008 32.626 32.600 0.057 0.000 1.401 168 M HN 0.377 nan 8.290 nan 0.000 0.448 169 Q N -0.436 119.236 119.800 -0.214 0.000 2.083 169 Q HA -0.168 4.172 4.340 -0.000 0.000 0.198 169 Q C 1.355 177.215 176.000 -0.233 0.000 0.969 169 Q CA 1.563 57.209 55.803 -0.262 0.000 0.838 169 Q CB -0.067 28.427 28.738 -0.408 0.000 0.900 169 Q HN 0.627 nan 8.270 nan 0.000 0.436 170 Y N 0.789 121.023 120.300 -0.110 0.000 2.439 170 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 170 Y C 1.877 177.537 175.900 -0.400 0.000 1.130 170 Y CA 0.748 58.697 58.100 -0.252 0.000 1.254 170 Y CB -0.160 38.102 38.460 -0.330 0.000 1.000 170 Y HN 0.212 nan 8.280 nan 0.000 0.554 171 E N 0.496 120.629 120.200 -0.111 0.000 2.046 171 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 171 E C 1.827 178.491 176.600 0.106 0.000 0.982 171 E CA 0.918 57.341 56.400 0.038 0.000 0.800 171 E CB -0.092 29.747 29.700 0.232 0.000 0.756 171 E HN 0.403 nan 8.360 nan 0.000 0.449 172 K N 0.073 120.507 120.400 0.057 0.000 2.362 172 K HA -0.033 4.287 4.320 -0.000 0.000 0.200 172 K C 1.683 178.312 176.600 0.049 0.000 1.046 172 K CA 0.799 57.119 56.287 0.056 0.000 0.952 172 K CB 0.181 32.699 32.500 0.029 0.000 0.753 172 K HN 0.033 nan 8.250 nan 0.000 0.466 173 A N -0.131 122.706 122.820 0.029 0.000 2.115 173 A HA 0.263 4.583 4.320 -0.000 0.000 0.211 173 A C 1.521 179.132 177.584 0.045 0.000 1.169 173 A CA 0.767 52.826 52.037 0.037 0.000 0.787 173 A CB 0.151 19.180 19.000 0.048 0.000 0.858 173 A HN 0.329 nan 8.150 nan 0.000 0.474 174 G N -1.892 106.933 108.800 0.042 0.000 2.176 174 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.253 174 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.253 174 G C 0.184 175.155 174.900 0.117 0.000 0.979 174 G CA 0.483 45.693 45.100 0.183 0.000 0.641 174 G HN 1.657 nan 8.290 nan 0.000 0.530 175 V N -0.026 119.802 119.914 -0.143 0.000 3.000 175 V HA 0.625 4.745 4.120 -0.000 0.000 0.300 175 V C -0.598 175.321 176.094 -0.292 0.000 1.251 175 V CA -0.480 61.728 62.300 -0.153 0.000 0.972 175 V CB 2.312 34.120 31.823 -0.026 0.000 1.065 175 V HN 0.653 nan 8.190 nan 0.000 0.431 176 V N 8.556 128.243 119.914 -0.379 0.000 2.406 176 V HA 0.467 4.587 4.120 -0.000 0.000 0.272 176 V C -1.793 174.021 176.094 -0.467 0.000 1.043 176 V CA -1.172 60.751 62.300 -0.629 0.000 0.915 176 V CB 1.273 32.774 31.823 -0.536 0.000 0.988 176 V HN 0.874 nan 8.190 nan 0.000 0.466 177 P HA 0.311 nan 4.420 nan 0.000 0.273 177 P C -2.690 174.487 177.300 -0.204 0.000 1.250 177 P CA -1.457 61.492 63.100 -0.252 0.000 0.793 177 P CB -0.040 31.564 31.700 -0.159 0.000 1.011 178 P HA 0.236 nan 4.420 nan 0.000 0.284 178 P C -0.629 176.651 177.300 -0.032 0.000 1.253 178 P CA -0.309 62.746 63.100 -0.075 0.000 0.800 178 P CB 0.626 32.302 31.700 -0.040 0.000 0.961 179 A N 3.312 126.115 122.820 -0.028 0.000 2.407 179 A HA 0.232 4.552 4.320 -0.000 0.000 0.248 179 A C 0.332 177.944 177.584 0.047 0.000 1.082 179 A CA -0.320 51.746 52.037 0.050 0.000 0.785 179 A CB -0.241 18.782 19.000 0.038 0.000 1.020 179 A HN 0.587 nan 8.150 nan 0.000 0.489 180 E N 0.836 121.078 120.200 0.070 0.000 2.314 180 E HA 0.206 4.556 4.350 -0.000 0.000 0.262 180 E C 0.232 176.859 176.600 0.044 0.000 1.093 180 E CA -0.588 55.838 56.400 0.044 0.000 0.908 180 E CB 0.837 30.559 29.700 0.037 0.000 1.091 180 E HN 0.711 nan 8.360 nan 0.000 0.425 181 E N 0.761 120.978 120.200 0.029 0.000 2.333 181 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 181 E C 0.599 177.217 176.600 0.030 0.000 1.007 181 E CA 0.844 57.261 56.400 0.028 0.000 0.845 181 E CB 0.067 29.778 29.700 0.020 0.000 0.766 181 E HN 0.440 nan 8.360 nan 0.000 0.507 182 D N 0.788 121.204 120.400 0.026 0.000 2.183 182 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 182 D C 0.028 176.342 176.300 0.024 0.000 0.969 182 D CA 0.587 54.597 54.000 0.017 0.000 0.842 182 D CB -0.108 40.694 40.800 0.003 0.000 0.957 182 D HN 0.043 nan 8.370 nan 0.000 0.484 183 D N 1.325 121.757 120.400 0.054 0.000 2.515 183 D HA -0.010 4.630 4.640 -0.000 0.000 0.232 183 D C -2.100 174.251 176.300 0.086 0.000 1.157 183 D CA -0.441 53.615 54.000 0.094 0.000 0.871 183 D CB 0.173 41.118 40.800 0.241 0.000 1.200 183 D HN 0.141 nan 8.370 nan 0.000 0.466 184 P HA 0.071 nan 4.420 nan 0.000 0.275 184 P C 0.038 177.412 177.300 0.122 0.000 1.228 184 P CA -0.360 62.782 63.100 0.071 0.000 0.786 184 P CB 0.960 32.674 31.700 0.023 0.000 0.927 185 A N 2.771 125.645 122.820 0.089 0.000 1.927 185 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 185 A C 2.171 179.833 177.584 0.129 0.000 1.185 185 A CA 2.005 54.100 52.037 0.096 0.000 0.639 185 A CB -1.336 17.712 19.000 0.080 0.000 0.820 185 A HN 0.697 nan 8.150 nan 0.000 0.451 186 E N -1.627 118.662 120.200 0.150 0.000 2.208 186 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 186 E C 1.825 178.573 176.600 0.245 0.000 0.988 186 E CA 0.514 57.056 56.400 0.236 0.000 0.828 186 E CB -0.192 29.637 29.700 0.215 0.000 0.763 186 E HN 0.870 nan 8.360 nan 0.000 0.478 187 W N 1.807 123.104 121.300 -0.005 0.000 2.418 187 W HA -0.133 4.527 4.660 -0.000 0.000 0.292 187 W C 1.414 177.934 176.519 0.003 0.000 1.213 187 W CA 0.973 58.300 57.345 -0.030 0.000 1.283 187 W CB 0.192 29.614 29.460 -0.063 0.000 1.119 187 W HN -0.027 nan 8.180 nan 0.000 0.542 188 K N -0.066 120.362 120.400 0.045 0.000 2.217 188 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 188 K C 1.659 178.183 176.600 -0.126 0.000 1.051 188 K CA 1.199 57.445 56.287 -0.070 0.000 0.952 188 K CB -0.455 32.054 32.500 0.015 0.000 0.736 188 K HN 0.094 nan 8.250 nan 0.000 0.453 189 V N 1.034 120.909 119.914 -0.064 0.000 2.535 189 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 189 V C 1.955 177.873 176.094 -0.293 0.000 1.045 189 V CA 1.128 63.391 62.300 -0.062 0.000 1.058 189 V CB -0.557 31.345 31.823 0.132 0.000 0.689 189 V HN 0.169 nan 8.190 nan 0.000 0.461 190 F N 0.726 120.253 119.950 -0.705 0.000 2.102 190 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 190 F C 2.020 177.331 175.800 -0.814 0.000 1.105 190 F CA 1.703 59.017 58.000 -1.143 0.000 1.239 190 F CB -0.188 38.024 39.000 -1.313 0.000 0.991 190 F HN 0.012 nan 8.300 nan 0.000 0.474 191 L N 0.138 120.922 121.223 -0.733 0.000 2.093 191 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 191 L C 2.250 178.821 176.870 -0.498 0.000 1.085 191 L CA 1.047 55.462 54.840 -0.709 0.000 0.755 191 L CB -0.832 40.845 42.059 -0.636 0.000 0.904 191 L HN 0.177 nan 8.230 nan 0.000 0.435 192 N N 0.368 118.854 118.700 -0.357 0.000 2.069 192 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 192 N C 1.831 177.228 175.510 -0.189 0.000 1.031 192 N CA 1.334 54.255 53.050 -0.215 0.000 0.852 192 N CB -0.451 37.959 38.487 -0.128 0.000 1.018 192 N HN 0.232 nan 8.380 nan 0.000 0.423 193 L N 0.698 121.778 121.223 -0.238 0.000 2.042 193 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 193 L C 2.005 178.795 176.870 -0.134 0.000 1.076 193 L CA 1.226 55.975 54.840 -0.151 0.000 0.749 193 L CB -0.183 41.773 42.059 -0.172 0.000 0.893 193 L HN 0.141 nan 8.230 nan 0.000 0.432 194 L N -0.935 120.105 121.223 -0.305 0.000 2.179 194 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 194 L C 2.749 179.599 176.870 -0.035 0.000 1.096 194 L CA 0.938 55.678 54.840 -0.167 0.000 0.779 194 L CB -0.426 41.393 42.059 -0.400 0.000 0.922 194 L HN 0.305 nan 8.230 nan 0.000 0.443 195 R N 0.081 120.506 120.500 -0.126 0.000 2.061 195 R HA -0.139 4.201 4.340 -0.000 0.000 0.230 195 R C 2.147 178.473 176.300 0.044 0.000 1.140 195 R CA 2.015 58.087 56.100 -0.047 0.000 0.940 195 R CB -0.317 29.913 30.300 -0.117 0.000 0.839 195 R HN 0.152 nan 8.270 nan 0.000 0.429 196 T N 0.447 115.005 114.554 0.006 0.000 2.918 196 T HA -0.171 4.179 4.350 -0.000 0.000 0.271 196 T C 1.603 176.333 174.700 0.051 0.000 1.104 196 T CA 1.597 63.712 62.100 0.025 0.000 1.114 196 T CB -0.244 68.633 68.868 0.015 0.000 0.855 196 T HN 0.206 nan 8.240 nan 0.000 0.518 197 R N 0.230 120.784 120.500 0.090 0.000 2.128 197 R HA 0.236 4.576 4.340 -0.000 0.000 0.211 197 R C 1.687 178.060 176.300 0.122 0.000 1.067 197 R CA 0.488 56.647 56.100 0.097 0.000 1.010 197 R CB -0.951 29.438 30.300 0.148 0.000 0.922 197 R HN 0.311 nan 8.270 nan 0.000 0.457 198 F N 1.981 121.944 119.950 0.021 0.000 2.494 198 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 198 F C 1.278 177.076 175.800 -0.003 0.000 1.106 198 F CA 1.313 59.325 58.000 0.020 0.000 1.452 198 F CB 0.112 39.132 39.000 0.033 0.000 1.085 198 F HN 0.182 nan 8.300 nan 0.000 0.569 199 E N -0.904 119.283 120.200 -0.022 0.000 2.016 199 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 199 E C 2.145 178.666 176.600 -0.132 0.000 0.985 199 E CA 1.936 58.281 56.400 -0.091 0.000 0.802 199 E CB -0.394 29.289 29.700 -0.028 0.000 0.762 199 E HN 0.427 nan 8.360 nan 0.000 0.448 200 T N -2.007 112.494 114.554 -0.089 0.000 3.065 200 T HA 0.019 4.369 4.350 -0.000 0.000 0.252 200 T C 0.289 174.922 174.700 -0.112 0.000 1.099 200 T CA 0.156 62.203 62.100 -0.088 0.000 1.063 200 T CB 0.398 69.234 68.868 -0.054 0.000 0.948 200 T HN -0.161 nan 8.240 nan 0.000 0.506 201 D N 0.336 120.658 120.400 -0.130 0.000 2.478 201 D HA 0.303 4.943 4.640 -0.000 0.000 0.240 201 D C 0.430 176.644 176.300 -0.144 0.000 1.364 201 D CA -0.494 53.424 54.000 -0.137 0.000 0.987 201 D CB 1.683 42.399 40.800 -0.141 0.000 1.328 201 D HN -0.138 nan 8.370 nan 0.000 0.584 202 K N 1.204 121.487 120.400 -0.196 0.000 2.305 202 K HA 0.008 4.328 4.320 -0.000 0.000 0.199 202 K C 0.499 177.154 176.600 0.092 0.000 1.047 202 K CA 0.680 56.831 56.287 -0.227 0.000 0.976 202 K CB 0.598 32.945 32.500 -0.256 0.000 0.765 202 K HN 0.435 nan 8.250 nan 0.000 0.474 203 D N -0.662 119.752 120.400 0.023 0.000 2.582 203 D HA 0.016 4.656 4.640 -0.000 0.000 0.246 203 D C 1.162 177.441 176.300 -0.035 0.000 1.334 203 D CA -0.245 53.781 54.000 0.043 0.000 0.805 203 D CB 0.128 40.939 40.800 0.019 0.000 1.087 203 D HN -0.099 nan 8.370 nan 0.000 0.499 204 K N 0.409 120.713 120.400 -0.161 0.000 2.001 204 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 204 K C 0.990 177.367 176.600 -0.373 0.000 1.050 204 K CA 1.874 57.916 56.287 -0.409 0.000 0.934 204 K CB -0.173 31.856 32.500 -0.786 0.000 0.718 204 K HN 0.216 nan 8.250 nan 0.000 0.443 205 W N 0.385 121.716 121.300 0.052 0.000 2.518 205 W HA -0.001 4.658 4.660 -0.000 0.000 0.273 205 W C 2.235 178.780 176.519 0.043 0.000 1.247 205 W CA 0.588 57.958 57.345 0.042 0.000 1.288 205 W CB -0.368 29.110 29.460 0.031 0.000 1.107 205 W HN 0.086 nan 8.180 nan 0.000 0.586 206 T N 0.642 115.317 114.554 0.202 0.000 2.708 206 T HA -0.174 4.175 4.350 -0.000 0.000 0.266 206 T C 1.891 176.648 174.700 0.096 0.000 1.037 206 T CA 1.174 63.355 62.100 0.135 0.000 1.146 206 T CB -0.208 68.722 68.868 0.104 0.000 0.865 206 T HN -0.087 nan 8.240 nan 0.000 0.435 207 K N 1.004 121.435 120.400 0.053 0.000 2.063 207 K HA 0.024 4.343 4.320 -0.000 0.000 0.208 207 K C 2.178 178.799 176.600 0.036 0.000 1.048 207 K CA 1.149 57.449 56.287 0.022 0.000 0.928 207 K CB -0.653 31.833 32.500 -0.024 0.000 0.713 207 K HN 0.415 nan 8.250 nan 0.000 0.442 208 I N 0.630 121.239 120.570 0.066 0.000 2.353 208 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 208 I C 2.408 178.593 176.117 0.113 0.000 1.119 208 I CA 0.841 62.194 61.300 0.088 0.000 1.417 208 I CB -0.324 37.776 38.000 0.166 0.000 1.078 208 I HN 0.014 nan 8.210 nan 0.000 0.421 209 A N 0.669 123.603 122.820 0.189 0.000 1.883 209 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 209 A C 2.238 179.954 177.584 0.220 0.000 1.186 209 A CA 2.230 54.431 52.037 0.274 0.000 0.624 209 A CB -0.610 18.534 19.000 0.240 0.000 0.822 209 A HN 0.420 nan 8.150 nan 0.000 0.444 210 E N -0.286 119.993 120.200 0.132 0.000 2.153 210 E HA -0.122 4.227 4.350 -0.000 0.000 0.194 210 E C 2.116 178.752 176.600 0.061 0.000 0.988 210 E CA 1.448 57.904 56.400 0.093 0.000 0.811 210 E CB -0.243 29.493 29.700 0.061 0.000 0.746 210 E HN 0.503 nan 8.360 nan 0.000 0.466 211 S N -1.009 114.710 115.700 0.031 0.000 2.388 211 S HA 0.048 4.518 4.470 -0.000 0.000 0.223 211 S C 0.426 175.002 174.600 -0.040 0.000 1.034 211 S CA 0.297 58.490 58.200 -0.012 0.000 0.963 211 S CB -0.045 63.129 63.200 -0.042 0.000 0.827 211 S HN 0.098 nan 8.310 nan 0.000 0.481 212 V N 3.343 123.201 119.914 -0.094 0.000 2.539 212 V HA -0.006 4.114 4.120 -0.000 0.000 0.300 212 V C 1.087 177.085 176.094 -0.160 0.000 1.019 212 V CA 0.747 62.895 62.300 -0.252 0.000 1.160 212 V CB 0.503 31.933 31.823 -0.655 0.000 0.901 212 V HN 0.440 nan 8.190 nan 0.000 0.481 213 K N 3.017 123.364 120.400 -0.087 0.000 2.314 213 K HA 0.320 4.640 4.320 -0.000 0.000 0.198 213 K C 0.788 177.396 176.600 0.013 0.000 1.045 213 K CA 0.721 57.018 56.287 0.016 0.000 0.988 213 K CB 0.505 33.063 32.500 0.096 0.000 0.783 213 K HN 0.910 nan 8.250 nan 0.000 0.484 214 G N -0.077 108.654 108.800 -0.115 0.000 2.387 214 G HA2 0.307 4.267 3.960 -0.000 0.000 0.294 214 G HA3 0.307 4.267 3.960 -0.000 0.000 0.294 214 G C -2.171 172.639 174.900 -0.150 0.000 1.509 214 G CA -0.657 44.415 45.100 -0.047 0.000 0.806 214 G HN -0.098 nan 8.290 nan 0.000 0.546 215 V N 0.534 120.457 119.914 0.016 0.000 2.628 215 V HA 0.872 4.992 4.120 -0.000 0.000 0.306 215 V C 0.123 176.239 176.094 0.037 0.000 1.045 215 V CA 0.107 62.415 62.300 0.014 0.000 0.905 215 V CB 2.097 34.003 31.823 0.139 0.000 0.997 215 V HN 1.444 nan 8.190 nan 0.000 0.436 216 T N 2.508 117.065 114.554 0.004 0.000 2.779 216 T HA 0.723 5.072 4.350 -0.000 0.000 0.280 216 T C -0.721 173.995 174.700 0.027 0.000 0.987 216 T CA -0.582 61.528 62.100 0.018 0.000 0.966 216 T CB 1.488 70.359 68.868 0.005 0.000 0.933 216 T HN 0.787 nan 8.240 nan 0.000 0.442 217 E N 1.914 122.138 120.200 0.041 0.000 2.199 217 E HA 0.347 4.697 4.350 -0.000 0.000 0.265 217 E C 0.525 177.150 176.600 0.041 0.000 0.882 217 E CA -0.676 55.745 56.400 0.036 0.000 0.759 217 E CB 1.916 31.635 29.700 0.032 0.000 1.148 217 E HN 0.782 nan 8.360 nan 0.000 0.412 218 E N 2.801 123.035 120.200 0.056 0.000 2.318 218 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 218 E C -0.046 176.589 176.600 0.058 0.000 0.998 218 E CA 0.522 56.977 56.400 0.091 0.000 0.859 218 E CB 0.468 30.269 29.700 0.167 0.000 0.812 218 E HN 0.368 nan 8.360 nan 0.000 0.492 219 T N -1.438 113.128 114.554 0.021 0.000 2.916 219 T HA 0.260 4.609 4.350 -0.000 0.000 0.292 219 T C 0.687 175.360 174.700 -0.045 0.000 1.055 219 T CA -0.132 61.965 62.100 -0.005 0.000 1.009 219 T CB 1.581 70.444 68.868 -0.009 0.000 1.118 219 T HN 0.023 nan 8.240 nan 0.000 0.497 220 T N 2.011 116.528 114.554 -0.061 0.000 2.635 220 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 220 T C 1.984 176.615 174.700 -0.115 0.000 1.040 220 T CA 2.317 64.363 62.100 -0.090 0.000 1.156 220 T CB -0.624 68.192 68.868 -0.088 0.000 0.863 220 T HN 0.727 nan 8.240 nan 0.000 0.430 221 T N 1.101 115.582 114.554 -0.121 0.000 2.759 221 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 221 T C 2.244 176.917 174.700 -0.045 0.000 1.042 221 T CA 1.266 63.298 62.100 -0.114 0.000 1.140 221 T CB -0.865 67.900 68.868 -0.172 0.000 0.864 221 T HN 0.553 nan 8.240 nan 0.000 0.455 222 G N 0.907 109.685 108.800 -0.037 0.000 2.418 222 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 222 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 222 G C 1.658 176.533 174.900 -0.041 0.000 1.158 222 G CA 0.835 45.940 45.100 0.008 0.000 0.771 222 G HN 0.457 nan 8.290 nan 0.000 0.545 223 V N 0.687 120.521 119.914 -0.134 0.000 2.548 223 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 223 V C 2.614 178.435 176.094 -0.456 0.000 1.055 223 V CA 1.390 63.507 62.300 -0.306 0.000 1.065 223 V CB -0.252 31.347 31.823 -0.375 0.000 0.681 223 V HN 0.368 nan 8.190 nan 0.000 0.462 224 L N 0.716 121.780 121.223 -0.264 0.000 1.989 224 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 224 L C 2.562 179.400 176.870 -0.053 0.000 1.071 224 L CA 2.001 56.763 54.840 -0.130 0.000 0.749 224 L CB -0.715 41.306 42.059 -0.063 0.000 0.890 224 L HN 0.152 nan 8.230 nan 0.000 0.431 225 R N -0.675 119.803 120.500 -0.037 0.000 2.119 225 R HA -0.197 4.143 4.340 -0.000 0.000 0.246 225 R C 2.335 178.663 176.300 0.046 0.000 1.146 225 R CA 2.090 58.172 56.100 -0.030 0.000 0.962 225 R CB -0.644 29.687 30.300 0.053 0.000 0.863 225 R HN 0.422 nan 8.270 nan 0.000 0.442 226 L N -0.978 120.306 121.223 0.101 0.000 2.056 226 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 226 L C 2.139 179.152 176.870 0.238 0.000 1.078 226 L CA 1.012 55.970 54.840 0.197 0.000 0.749 226 L CB -0.433 41.678 42.059 0.087 0.000 0.901 226 L HN 0.213 nan 8.230 nan 0.000 0.433 227 Y N 0.538 120.865 120.300 0.046 0.000 2.256 227 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 227 Y C 2.655 178.552 175.900 -0.005 0.000 1.155 227 Y CA 1.021 59.128 58.100 0.013 0.000 1.203 227 Y CB -0.734 37.723 38.460 -0.005 0.000 0.980 227 Y HN 0.335 nan 8.280 nan 0.000 0.530 228 Q N -2.008 117.862 119.800 0.117 0.000 2.331 228 Q HA -0.081 4.259 4.340 -0.000 0.000 0.203 228 Q C 1.785 177.756 176.000 -0.049 0.000 0.944 228 Q CA 0.630 56.417 55.803 -0.026 0.000 0.892 228 Q CB -0.146 28.504 28.738 -0.146 0.000 0.983 228 Q HN 0.313 nan 8.270 nan 0.000 0.482 229 F N 0.032 119.992 119.950 0.017 0.000 2.234 229 F HA 0.030 4.557 4.527 -0.000 0.000 0.296 229 F C 2.180 177.964 175.800 -0.026 0.000 1.089 229 F CA 0.810 58.799 58.000 -0.019 0.000 1.343 229 F CB -0.462 38.515 39.000 -0.039 0.000 1.040 229 F HN 0.031 nan 8.300 nan 0.000 0.498 230 A N -0.204 122.730 122.820 0.189 0.000 1.898 230 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 230 A C 2.374 179.986 177.584 0.045 0.000 1.181 230 A CA 1.556 53.647 52.037 0.089 0.000 0.620 230 A CB -1.225 17.822 19.000 0.079 0.000 0.819 230 A HN 0.254 nan 8.150 nan 0.000 0.442 231 A N -0.513 122.329 122.820 0.037 0.000 2.015 231 A HA 0.295 4.615 4.320 -0.000 0.000 0.219 231 A C 2.094 179.684 177.584 0.010 0.000 1.163 231 A CA 1.589 53.629 52.037 0.005 0.000 0.646 231 A CB -0.568 18.426 19.000 -0.010 0.000 0.806 231 A HN 1.052 nan 8.150 nan 0.000 0.448 232 A N -1.691 121.148 122.820 0.030 0.000 2.307 232 A HA 0.445 4.764 4.320 -0.000 0.000 0.218 232 A C 1.662 179.271 177.584 0.042 0.000 1.228 232 A CA 0.980 53.036 52.037 0.032 0.000 0.857 232 A CB -0.955 18.067 19.000 0.036 0.000 0.897 232 A HN 1.766 nan 8.150 nan 0.000 0.495 233 G N -0.221 108.600 108.800 0.035 0.000 2.155 233 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.257 233 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.257 233 G C 0.225 175.130 174.900 0.008 0.000 0.983 233 G CA 0.605 45.715 45.100 0.017 0.000 0.676 233 G HN 0.463 nan 8.290 nan 0.000 0.528 234 D N -0.666 119.755 120.400 0.036 0.000 2.363 234 D HA 0.185 4.825 4.640 -0.000 0.000 0.214 234 D C 0.987 177.182 176.300 -0.174 0.000 1.093 234 D CA -0.351 53.639 54.000 -0.017 0.000 0.837 234 D CB 0.310 41.177 40.800 0.112 0.000 0.948 234 D HN 0.347 nan 8.370 nan 0.000 0.507 235 L N 1.420 122.560 121.223 -0.138 0.000 2.515 235 L HA 0.207 4.547 4.340 -0.000 0.000 0.281 235 L C 1.222 177.879 176.870 -0.356 0.000 1.131 235 L CA -0.153 54.515 54.840 -0.286 0.000 0.905 235 L CB 0.336 42.319 42.059 -0.126 0.000 1.246 235 L HN -0.068 nan 8.230 nan 0.000 0.463 236 A N 5.508 127.948 122.820 -0.633 0.000 2.169 236 A HA 0.207 4.527 4.320 -0.000 0.000 0.212 236 A C 0.188 177.609 177.584 -0.273 0.000 1.153 236 A CA 0.565 52.342 52.037 -0.434 0.000 0.756 236 A CB -0.549 18.233 19.000 -0.363 0.000 0.813 236 A HN 0.634 nan 8.150 nan 0.000 0.471 237 F N -3.638 116.316 119.950 0.007 0.000 2.662 237 F HA 0.680 5.207 4.527 -0.000 0.000 0.312 237 F C -3.141 172.702 175.800 0.072 0.000 1.113 237 F CA -3.833 54.189 58.000 0.037 0.000 0.951 237 F CB 0.407 39.420 39.000 0.022 0.000 1.344 237 F HN -0.296 nan 8.300 nan 0.000 0.462 238 P HA 0.370 nan 4.420 nan 0.000 0.270 238 P C -1.103 176.380 177.300 0.305 0.000 1.223 238 P CA 0.041 63.336 63.100 0.326 0.000 0.785 238 P CB 1.030 32.898 31.700 0.279 0.000 0.923 239 A N 2.311 125.311 122.820 0.301 0.000 2.449 239 A HA 0.699 5.019 4.320 -0.000 0.000 0.302 239 A C -0.757 176.959 177.584 0.220 0.000 1.048 239 A CA -0.771 51.400 52.037 0.223 0.000 0.708 239 A CB 1.116 20.233 19.000 0.196 0.000 1.274 239 A HN 0.415 nan 8.150 nan 0.000 0.410 240 I N 2.218 122.858 120.570 0.117 0.000 2.378 240 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 240 I C -0.249 175.925 176.117 0.095 0.000 0.992 240 I CA -0.786 60.580 61.300 0.109 0.000 1.154 240 I CB 1.857 39.865 38.000 0.013 0.000 1.315 240 I HN 0.702 nan 8.210 nan 0.000 0.448 241 N N 6.415 125.182 118.700 0.113 0.000 2.605 241 N HA 0.089 4.829 4.740 -0.000 0.000 0.258 241 N C 0.539 176.090 175.510 0.069 0.000 1.156 241 N CA 0.036 53.126 53.050 0.067 0.000 1.008 241 N CB 1.020 39.552 38.487 0.075 0.000 1.354 241 N HN 0.418 nan 8.380 nan 0.000 0.509 242 V N 3.166 123.115 119.914 0.058 0.000 2.809 242 V HA -0.151 3.969 4.120 -0.000 0.000 0.256 242 V C 2.147 178.274 176.094 0.054 0.000 1.080 242 V CA 1.179 63.517 62.300 0.063 0.000 1.102 242 V CB -0.842 31.028 31.823 0.077 0.000 0.705 242 V HN 0.654 nan 8.190 nan 0.000 0.475 243 N N 0.892 119.614 118.700 0.036 0.000 2.104 243 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 243 N C 1.152 176.678 175.510 0.027 0.000 1.024 243 N CA 1.670 54.734 53.050 0.023 0.000 0.853 243 N CB -0.086 38.397 38.487 -0.007 0.000 1.008 243 N HN 0.367 nan 8.380 nan 0.000 0.424 244 D N -0.341 120.082 120.400 0.038 0.000 2.395 244 D HA 0.135 4.775 4.640 -0.000 0.000 0.226 244 D C -0.424 175.918 176.300 0.070 0.000 1.146 244 D CA 0.090 54.122 54.000 0.054 0.000 0.830 244 D CB 0.058 40.901 40.800 0.072 0.000 0.958 244 D HN 0.109 nan 8.370 nan 0.000 0.501 245 S N -0.210 115.527 115.700 0.061 0.000 2.562 245 S HA 0.046 4.516 4.470 -0.000 0.000 0.281 245 S C 1.930 176.560 174.600 0.049 0.000 1.333 245 S CA -0.586 57.647 58.200 0.056 0.000 1.052 245 S CB 1.912 65.136 63.200 0.040 0.000 0.884 245 S HN -0.044 nan 8.310 nan 0.000 0.506 246 V N 2.992 122.925 119.914 0.033 0.000 2.332 246 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 246 V C 2.519 178.692 176.094 0.131 0.000 1.055 246 V CA 2.219 64.525 62.300 0.010 0.000 1.038 246 V CB -1.435 30.274 31.823 -0.190 0.000 0.651 246 V HN 1.063 nan 8.190 nan 0.000 0.450 247 T N -1.822 112.771 114.554 0.066 0.000 3.118 247 T HA -0.054 4.296 4.350 -0.000 0.000 0.260 247 T C 1.503 176.238 174.700 0.058 0.000 1.139 247 T CA 1.150 63.260 62.100 0.017 0.000 1.085 247 T CB 0.113 68.851 68.868 -0.216 0.000 0.934 247 T HN 0.467 nan 8.240 nan 0.000 0.518 248 K N 2.511 122.954 120.400 0.071 0.000 2.167 248 K HA 0.133 4.453 4.320 -0.000 0.000 0.214 248 K C 2.517 179.153 176.600 0.060 0.000 1.024 248 K CA 1.293 57.611 56.287 0.051 0.000 0.951 248 K CB -0.700 31.818 32.500 0.031 0.000 0.907 248 K HN 0.239 nan 8.250 nan 0.000 0.459 249 S N 1.110 116.828 115.700 0.029 0.000 2.374 249 S HA -0.132 4.337 4.470 -0.000 0.000 0.227 249 S C 1.652 176.188 174.600 -0.106 0.000 1.037 249 S CA 1.224 59.409 58.200 -0.026 0.000 1.024 249 S CB -0.444 62.742 63.200 -0.022 0.000 0.861 249 S HN 0.269 nan 8.310 nan 0.000 0.456 250 K N -0.207 120.121 120.400 -0.121 0.000 2.444 250 K HA 0.266 4.585 4.320 -0.000 0.000 0.193 250 K C 0.527 176.683 176.600 -0.741 0.000 1.024 250 K CA 0.291 56.338 56.287 -0.400 0.000 1.077 250 K CB -0.033 32.229 32.500 -0.396 0.000 0.833 250 K HN 0.482 nan 8.250 nan 0.000 0.517 251 F N -0.140 119.684 119.950 -0.211 0.000 2.423 251 F HA -0.011 4.516 4.527 -0.000 0.000 0.269 251 F C 2.148 177.856 175.800 -0.153 0.000 0.880 251 F CA 0.069 57.992 58.000 -0.129 0.000 1.134 251 F CB -0.300 38.696 39.000 -0.006 0.000 1.143 251 F HN -0.091 nan 8.300 nan 0.000 0.802 252 D N 0.657 121.092 120.400 0.058 0.000 2.077 252 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 252 D C 1.499 177.715 176.300 -0.139 0.000 0.989 252 D CA 1.967 55.934 54.000 -0.056 0.000 0.831 252 D CB -0.732 40.077 40.800 0.015 0.000 0.979 252 D HN 0.216 nan 8.370 nan 0.000 0.449 253 N N -0.117 118.545 118.700 -0.063 0.000 2.184 253 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 253 N C 1.783 177.188 175.510 -0.174 0.000 1.011 253 N CA 1.055 54.064 53.050 -0.069 0.000 0.867 253 N CB 0.076 38.516 38.487 -0.078 0.000 0.993 253 N HN 0.357 nan 8.380 nan 0.000 0.433 254 K N -0.139 120.082 120.400 -0.299 0.000 2.273 254 K HA 0.017 4.337 4.320 -0.000 0.000 0.206 254 K C 1.175 177.597 176.600 -0.297 0.000 1.072 254 K CA 0.137 56.196 56.287 -0.382 0.000 0.953 254 K CB 0.154 32.298 32.500 -0.594 0.000 1.043 254 K HN -0.010 nan 8.250 nan 0.000 0.477 255 Y N 0.466 120.683 120.300 -0.137 0.000 2.519 255 Y HA 0.186 4.736 4.550 -0.000 0.000 0.287 255 Y C 2.148 177.974 175.900 -0.124 0.000 1.128 255 Y CA 0.658 58.708 58.100 -0.084 0.000 1.282 255 Y CB -0.621 37.836 38.460 -0.005 0.000 1.027 255 Y HN 0.211 nan 8.280 nan 0.000 0.551 256 G N -0.407 108.265 108.800 -0.213 0.000 2.424 256 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.214 256 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.214 256 G C 1.739 176.363 174.900 -0.460 0.000 1.202 256 G CA 1.385 46.127 45.100 -0.597 0.000 0.793 256 G HN 0.293 nan 8.290 nan 0.000 0.534 257 T N 0.440 114.743 114.554 -0.419 0.000 2.721 257 T HA -0.197 4.152 4.350 -0.000 0.000 0.268 257 T C 2.262 176.976 174.700 0.023 0.000 1.038 257 T CA 1.506 63.603 62.100 -0.006 0.000 1.145 257 T CB -0.170 68.707 68.868 0.014 0.000 0.858 257 T HN 0.325 nan 8.240 nan 0.000 0.459 258 R N -0.272 120.237 120.500 0.014 0.000 2.152 258 R HA -0.131 4.208 4.340 -0.000 0.000 0.232 258 R C 2.371 178.707 176.300 0.059 0.000 1.117 258 R CA 1.127 57.257 56.100 0.049 0.000 0.981 258 R CB -0.185 30.177 30.300 0.102 0.000 0.870 258 R HN 0.525 nan 8.270 nan 0.000 0.451 259 H N -0.429 118.650 119.070 0.015 0.000 2.329 259 H HA 0.007 4.563 4.556 -0.000 0.000 0.306 259 H C 1.938 177.299 175.328 0.055 0.000 1.062 259 H CA 1.863 57.931 56.048 0.034 0.000 1.364 259 H CB 0.106 29.890 29.762 0.036 0.000 1.409 259 H HN 0.326 nan 8.280 nan 0.000 0.519 260 S N 0.599 116.455 115.700 0.260 0.000 2.496 260 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 260 S C 2.158 176.830 174.600 0.120 0.000 0.996 260 S CA 0.568 58.907 58.200 0.232 0.000 0.927 260 S CB -0.315 63.070 63.200 0.309 0.000 0.774 260 S HN 0.303 nan 8.310 nan 0.000 0.524 261 L N 1.655 122.928 121.223 0.084 0.000 2.027 261 L HA 0.181 4.521 4.340 -0.000 0.000 0.206 261 L C 2.179 179.063 176.870 0.024 0.000 1.074 261 L CA 1.533 56.401 54.840 0.046 0.000 0.745 261 L CB -0.605 41.471 42.059 0.028 0.000 0.898 261 L HN 0.287 nan 8.230 nan 0.000 0.433 262 I N -0.065 120.505 120.570 0.001 0.000 2.208 262 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 262 I C 2.180 178.290 176.117 -0.012 0.000 1.097 262 I CA 1.791 63.079 61.300 -0.021 0.000 1.363 262 I CB -0.657 37.303 38.000 -0.067 0.000 1.051 262 I HN 0.409 nan 8.210 nan 0.000 0.413 263 D N 0.949 121.349 120.400 0.000 0.000 2.117 263 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 263 D C 2.146 178.467 176.300 0.035 0.000 0.987 263 D CA 1.564 55.581 54.000 0.029 0.000 0.829 263 D CB -0.229 40.620 40.800 0.082 0.000 0.961 263 D HN 0.303 nan 8.370 nan 0.000 0.460 264 G N 0.347 109.170 108.800 0.039 0.000 2.418 264 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 264 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 264 G C 1.902 176.816 174.900 0.024 0.000 1.158 264 G CA 0.639 45.759 45.100 0.033 0.000 0.771 264 G HN 0.349 nan 8.290 nan 0.000 0.545 265 I N 1.144 121.726 120.570 0.021 0.000 2.252 265 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 265 I C 2.266 178.394 176.117 0.017 0.000 1.102 265 I CA 0.787 62.098 61.300 0.019 0.000 1.385 265 I CB -0.189 37.820 38.000 0.016 0.000 1.064 265 I HN 0.037 nan 8.210 nan 0.000 0.414 266 N N 0.911 119.620 118.700 0.014 0.000 2.309 266 N HA -0.118 4.622 4.740 -0.000 0.000 0.182 266 N C 1.851 177.371 175.510 0.017 0.000 1.018 266 N CA 1.055 54.113 53.050 0.014 0.000 0.876 266 N CB -0.248 38.244 38.487 0.008 0.000 0.972 266 N HN 0.382 nan 8.380 nan 0.000 0.434 267 R N -0.130 120.382 120.500 0.020 0.000 2.066 267 R HA 0.129 4.468 4.340 -0.000 0.000 0.224 267 R C 2.362 178.670 176.300 0.014 0.000 1.122 267 R CA 0.996 57.108 56.100 0.020 0.000 0.974 267 R CB -0.575 29.740 30.300 0.025 0.000 0.871 267 R HN 0.181 nan 8.270 nan 0.000 0.435 268 G N 0.681 109.489 108.800 0.014 0.000 2.459 268 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 268 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 268 G C 0.852 175.761 174.900 0.015 0.000 1.183 268 G CA 1.487 46.593 45.100 0.010 0.000 0.776 268 G HN 0.469 nan 8.290 nan 0.000 0.552 269 T N -3.396 111.171 114.554 0.020 0.000 2.883 269 T HA 0.566 4.916 4.350 -0.000 0.000 0.284 269 T C -1.107 173.608 174.700 0.024 0.000 1.041 269 T CA -0.640 61.475 62.100 0.026 0.000 1.007 269 T CB 2.399 71.288 68.868 0.034 0.000 1.220 269 T HN -0.139 nan 8.240 nan 0.000 0.552 270 D N 0.804 121.220 120.400 0.028 0.000 2.980 270 D HA 0.479 5.119 4.640 -0.000 0.000 0.333 270 D C -0.032 176.284 176.300 0.026 0.000 1.356 270 D CA -0.331 53.682 54.000 0.023 0.000 0.847 270 D CB 0.326 41.138 40.800 0.019 0.000 1.122 270 D HN 0.843 nan 8.370 nan 0.000 0.475 271 A N 0.891 123.729 122.820 0.031 0.000 2.409 271 A HA 0.316 4.636 4.320 -0.000 0.000 0.267 271 A C 0.313 177.911 177.584 0.023 0.000 1.127 271 A CA -0.502 51.554 52.037 0.032 0.000 0.795 271 A CB 0.261 19.284 19.000 0.039 0.000 1.061 271 A HN 0.339 nan 8.150 nan 0.000 0.502 272 L N 3.450 124.685 121.223 0.021 0.000 2.540 272 L HA 0.044 4.383 4.340 -0.000 0.000 0.276 272 L C 0.925 177.806 176.870 0.018 0.000 1.212 272 L CA 0.630 55.480 54.840 0.017 0.000 0.893 272 L CB -0.086 41.982 42.059 0.015 0.000 1.138 272 L HN 0.745 nan 8.230 nan 0.000 0.491 273 I N 3.362 123.941 120.570 0.015 0.000 2.429 273 I HA 0.081 4.251 4.170 -0.000 0.000 0.247 273 I C 1.407 177.535 176.117 0.019 0.000 1.099 273 I CA 0.570 61.880 61.300 0.016 0.000 1.422 273 I CB -0.495 37.512 38.000 0.012 0.000 1.112 273 I HN 0.833 nan 8.210 nan 0.000 0.430 274 G N 0.371 109.181 108.800 0.017 0.000 2.272 274 G HA2 0.312 4.272 3.960 -0.000 0.000 0.247 274 G HA3 0.312 4.272 3.960 -0.000 0.000 0.247 274 G C 1.014 175.926 174.900 0.020 0.000 1.272 274 G CA 0.462 45.574 45.100 0.020 0.000 0.921 274 G HN 0.637 nan 8.290 nan 0.000 0.495 275 G N 1.700 110.514 108.800 0.023 0.000 2.234 275 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 275 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 275 G C 0.613 175.526 174.900 0.022 0.000 0.997 275 G CA 0.447 45.560 45.100 0.021 0.000 0.623 275 G HN 0.753 nan 8.290 nan 0.000 0.514 276 K N 0.940 121.354 120.400 0.023 0.000 2.098 276 K HA 0.436 4.756 4.320 -0.000 0.000 0.261 276 K C 0.311 176.925 176.600 0.024 0.000 0.987 276 K CA -0.522 55.779 56.287 0.023 0.000 0.916 276 K CB 1.097 33.610 32.500 0.023 0.000 1.039 276 K HN 0.223 nan 8.250 nan 0.000 0.455 277 K N 1.531 121.944 120.400 0.021 0.000 2.312 277 K HA 0.216 4.535 4.320 -0.000 0.000 0.287 277 K C -0.389 176.218 176.600 0.012 0.000 1.062 277 K CA -0.339 55.959 56.287 0.019 0.000 0.934 277 K CB 0.854 33.364 32.500 0.016 0.000 1.027 277 K HN 0.198 nan 8.250 nan 0.000 0.478 278 V N 4.613 124.530 119.914 0.005 0.000 2.513 278 V HA 0.324 4.444 4.120 -0.000 0.000 0.299 278 V C -0.718 175.358 176.094 -0.029 0.000 1.035 278 V CA -1.012 61.282 62.300 -0.011 0.000 0.889 278 V CB 1.657 33.469 31.823 -0.017 0.000 0.988 278 V HN 0.525 nan 8.190 nan 0.000 0.440 279 L N 6.057 127.261 121.223 -0.032 0.000 2.319 279 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 279 L C -0.743 176.097 176.870 -0.049 0.000 1.005 279 L CA -0.006 54.808 54.840 -0.044 0.000 0.828 279 L CB 1.203 43.238 42.059 -0.039 0.000 1.227 279 L HN 0.413 nan 8.230 nan 0.000 0.415 280 I N 4.803 125.333 120.570 -0.066 0.000 2.328 280 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 280 I C -0.447 175.649 176.117 -0.035 0.000 1.012 280 I CA -0.332 60.935 61.300 -0.056 0.000 1.195 280 I CB 0.972 38.920 38.000 -0.086 0.000 1.350 280 I HN 0.557 nan 8.210 nan 0.000 0.464 281 C N 5.224 124.510 119.300 -0.024 0.000 2.349 281 C HA 0.711 5.170 4.460 -0.000 0.000 0.348 281 C C 0.981 175.971 174.990 -0.001 0.000 1.223 281 C CA -0.381 58.628 59.018 -0.016 0.000 1.746 281 C CB -0.518 27.211 27.740 -0.019 0.000 2.360 281 C HN 1.065 nan 8.230 nan 0.000 0.533 282 G N 2.403 111.214 108.800 0.018 0.000 3.055 282 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 282 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 282 G C -1.108 173.838 174.900 0.077 0.000 1.087 282 G CA -0.596 44.522 45.100 0.031 0.000 0.779 282 G HN 0.897 nan 8.290 nan 0.000 0.599 283 Y N 2.561 122.831 120.300 -0.049 0.000 2.666 283 Y HA 0.508 5.058 4.550 -0.000 0.000 0.264 283 Y C 1.325 177.201 175.900 -0.039 0.000 1.054 283 Y CA 0.507 58.578 58.100 -0.048 0.000 1.121 283 Y CB 0.044 38.486 38.460 -0.030 0.000 1.190 283 Y HN 0.980 nan 8.280 nan 0.000 0.587 284 G N 0.125 108.874 108.800 -0.085 0.000 2.514 284 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.245 284 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.245 284 G C 0.682 175.447 174.900 -0.226 0.000 1.488 284 G CA 0.312 45.342 45.100 -0.117 0.000 1.063 284 G HN 0.275 nan 8.290 nan 0.000 0.557 285 D N -1.049 119.239 120.400 -0.186 0.000 2.097 285 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 285 D C 2.779 178.947 176.300 -0.219 0.000 0.989 285 D CA 1.099 54.965 54.000 -0.225 0.000 0.827 285 D CB -0.318 40.372 40.800 -0.184 0.000 0.966 285 D HN 0.047 nan 8.370 nan 0.000 0.456 286 V N 1.299 121.124 119.914 -0.149 0.000 2.295 286 V HA -0.185 3.934 4.120 -0.000 0.000 0.246 286 V C 2.604 178.614 176.094 -0.140 0.000 1.049 286 V CA 2.084 64.320 62.300 -0.108 0.000 1.024 286 V CB -1.007 30.781 31.823 -0.057 0.000 0.648 286 V HN 0.233 nan 8.190 nan 0.000 0.447 287 G N -0.616 108.084 108.800 -0.167 0.000 2.418 287 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 287 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 287 G C 1.646 176.340 174.900 -0.342 0.000 1.158 287 G CA 0.781 45.773 45.100 -0.180 0.000 0.771 287 G HN 0.456 nan 8.290 nan 0.000 0.545 288 K N 0.049 120.087 120.400 -0.604 0.000 2.281 288 K HA -0.047 4.273 4.320 -0.000 0.000 0.203 288 K C 2.528 178.954 176.600 -0.291 0.000 1.046 288 K CA 0.896 56.740 56.287 -0.737 0.000 0.938 288 K CB -0.140 31.965 32.500 -0.659 0.000 0.737 288 K HN 0.321 nan 8.250 nan 0.000 0.458 289 G N -0.221 108.449 108.800 -0.216 0.000 2.545 289 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 289 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 289 G C 1.496 176.361 174.900 -0.058 0.000 1.144 289 G CA 0.067 45.102 45.100 -0.108 0.000 0.813 289 G HN 0.265 nan 8.290 nan 0.000 0.531 290 C N 1.140 120.392 119.300 -0.079 0.000 2.436 290 C HA 0.134 4.594 4.460 -0.000 0.000 0.277 290 C C 3.520 178.472 174.990 -0.062 0.000 1.241 290 C CA 1.186 60.171 59.018 -0.055 0.000 1.721 290 C CB -0.808 26.896 27.740 -0.061 0.000 2.043 290 C HN 0.539 nan 8.230 nan 0.000 0.472 291 A N 0.187 122.945 122.820 -0.103 0.000 1.908 291 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 291 A C 2.003 179.586 177.584 -0.001 0.000 1.181 291 A CA 2.214 54.137 52.037 -0.191 0.000 0.627 291 A CB -0.610 18.206 19.000 -0.307 0.000 0.818 291 A HN 0.556 nan 8.150 nan 0.000 0.445 292 E N 0.048 120.293 120.200 0.074 0.000 2.110 292 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 292 E C 2.083 178.739 176.600 0.092 0.000 0.988 292 E CA 1.304 57.789 56.400 0.142 0.000 0.804 292 E CB -0.493 29.284 29.700 0.129 0.000 0.745 292 E HN 0.493 nan 8.360 nan 0.000 0.458 293 A N 0.373 123.220 122.820 0.046 0.000 1.877 293 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 293 A C 2.148 179.749 177.584 0.029 0.000 1.186 293 A CA 1.973 54.026 52.037 0.026 0.000 0.620 293 A CB -0.444 18.558 19.000 0.005 0.000 0.822 293 A HN 0.232 nan 8.150 nan 0.000 0.443 294 M N -0.283 119.332 119.600 0.025 0.000 2.132 294 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 294 M C 2.150 178.488 176.300 0.063 0.000 1.065 294 M CA 2.036 57.352 55.300 0.027 0.000 1.122 294 M CB -1.117 31.483 32.600 -0.001 0.000 1.365 294 M HN 0.647 nan 8.290 nan 0.000 0.411 295 K N 0.329 120.798 120.400 0.116 0.000 2.097 295 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 295 K C 1.919 178.579 176.600 0.100 0.000 1.050 295 K CA 1.655 58.040 56.287 0.164 0.000 0.938 295 K CB -0.395 32.292 32.500 0.312 0.000 0.718 295 K HN 0.321 nan 8.250 nan 0.000 0.442 296 G N 0.109 108.957 108.800 0.080 0.000 2.534 296 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 296 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 296 G C 1.224 176.142 174.900 0.031 0.000 1.128 296 G CA 0.033 45.162 45.100 0.049 0.000 0.784 296 G HN 0.292 nan 8.290 nan 0.000 0.542 297 Q N -0.418 119.400 119.800 0.031 0.000 2.360 297 Q HA 0.184 4.524 4.340 -0.000 0.000 0.202 297 Q C 1.592 177.606 176.000 0.024 0.000 0.915 297 Q CA 0.625 56.440 55.803 0.020 0.000 0.943 297 Q CB 0.882 29.627 28.738 0.012 0.000 1.064 297 Q HN 0.530 nan 8.270 nan 0.000 0.511 298 G N 0.343 109.164 108.800 0.036 0.000 2.168 298 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.197 298 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.197 298 G C 0.274 175.199 174.900 0.042 0.000 0.997 298 G CA -0.023 45.098 45.100 0.035 0.000 0.658 298 G HN 0.493 nan 8.290 nan 0.000 0.513 299 A N 0.005 122.855 122.820 0.050 0.000 2.332 299 A HA 0.779 5.099 4.320 -0.000 0.000 0.258 299 A C 0.643 178.269 177.584 0.071 0.000 1.087 299 A CA -0.102 51.964 52.037 0.049 0.000 0.802 299 A CB 0.374 19.398 19.000 0.039 0.000 1.042 299 A HN 0.444 nan 8.150 nan 0.000 0.489 300 R N 0.772 121.308 120.500 0.059 0.000 2.233 300 R HA 0.437 4.777 4.340 -0.000 0.000 0.334 300 R C -1.328 175.016 176.300 0.073 0.000 1.037 300 R CA -0.304 55.840 56.100 0.074 0.000 0.920 300 R CB 1.096 31.426 30.300 0.049 0.000 1.137 300 R HN 0.417 nan 8.270 nan 0.000 0.492 301 V N 2.307 122.296 119.914 0.125 0.000 2.472 301 V HA 0.360 4.480 4.120 -0.000 0.000 0.290 301 V C 0.057 176.196 176.094 0.076 0.000 1.037 301 V CA -0.361 61.961 62.300 0.036 0.000 0.908 301 V CB 1.848 33.597 31.823 -0.122 0.000 0.985 301 V HN 0.713 nan 8.190 nan 0.000 0.454 302 S N 2.819 118.508 115.700 -0.019 0.000 2.599 302 S HA 0.802 5.272 4.470 -0.000 0.000 0.294 302 S C -0.743 173.805 174.600 -0.087 0.000 1.094 302 S CA -0.624 57.572 58.200 -0.007 0.000 0.931 302 S CB 2.219 65.419 63.200 0.001 0.000 1.093 302 S HN 0.426 nan 8.310 nan 0.000 0.488 303 V N 1.889 121.756 119.914 -0.078 0.000 2.680 303 V HA 0.719 4.838 4.120 -0.000 0.000 0.309 303 V C 0.153 176.214 176.094 -0.055 0.000 1.052 303 V CA -0.716 61.527 62.300 -0.095 0.000 0.908 303 V CB 2.136 33.856 31.823 -0.171 0.000 1.001 303 V HN 1.049 nan 8.190 nan 0.000 0.431 304 T N 0.987 115.518 114.554 -0.038 0.000 2.895 304 T HA 0.868 5.218 4.350 -0.000 0.000 0.283 304 T C -0.772 173.923 174.700 -0.008 0.000 1.014 304 T CA -0.510 61.572 62.100 -0.030 0.000 1.037 304 T CB 2.156 70.999 68.868 -0.041 0.000 1.006 304 T HN 0.786 nan 8.240 nan 0.000 0.468 305 E N 1.304 121.499 120.200 -0.007 0.000 2.388 305 E HA 0.399 4.748 4.350 -0.000 0.000 0.280 305 E C -0.145 176.455 176.600 0.001 0.000 1.019 305 E CA -0.560 55.845 56.400 0.008 0.000 0.806 305 E CB 1.090 30.805 29.700 0.025 0.000 1.246 305 E HN 0.706 nan 8.360 nan 0.000 0.443 306 I N -1.334 119.239 120.570 0.005 0.000 3.708 306 I HA 0.472 4.642 4.170 -0.000 0.000 0.302 306 I C 0.485 176.604 176.117 0.004 0.000 1.255 306 I CA 0.002 61.303 61.300 0.001 0.000 1.362 306 I CB 0.385 38.384 38.000 -0.001 0.000 1.100 306 I HN 0.262 nan 8.210 nan 0.000 0.434 307 D N 2.749 123.156 120.400 0.011 0.000 2.232 307 D HA 0.251 4.891 4.640 -0.000 0.000 0.242 307 D C -1.729 174.579 176.300 0.014 0.000 1.093 307 D CA -2.293 51.715 54.000 0.013 0.000 0.845 307 D CB 2.237 43.048 40.800 0.019 0.000 1.124 307 D HN -0.016 nan 8.370 nan 0.000 0.467 308 P HA 0.015 nan 4.420 nan 0.000 0.224 308 P C 1.831 179.137 177.300 0.010 0.000 1.157 308 P CA 0.390 63.493 63.100 0.005 0.000 0.799 308 P CB 0.812 32.512 31.700 0.000 0.000 0.809 309 I N 0.586 121.165 120.570 0.015 0.000 2.090 309 I HA -0.236 3.933 4.170 -0.000 0.000 0.236 309 I C 2.432 178.575 176.117 0.042 0.000 1.064 309 I CA 1.380 62.693 61.300 0.022 0.000 1.324 309 I CB -0.902 37.110 38.000 0.019 0.000 1.044 309 I HN -0.078 nan 8.210 nan 0.000 0.399 310 N N 1.156 119.893 118.700 0.061 0.000 2.091 310 N HA -0.240 4.499 4.740 -0.000 0.000 0.193 310 N C 1.875 177.450 175.510 0.109 0.000 1.021 310 N CA 1.818 54.942 53.050 0.124 0.000 0.862 310 N CB -0.338 38.223 38.487 0.124 0.000 1.018 310 N HN 0.406 nan 8.380 nan 0.000 0.429 311 A N 1.184 124.028 122.820 0.040 0.000 1.978 311 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 311 A C 2.218 179.777 177.584 -0.040 0.000 1.170 311 A CA 0.980 53.008 52.037 -0.016 0.000 0.636 311 A CB -0.475 18.518 19.000 -0.011 0.000 0.810 311 A HN 0.243 nan 8.150 nan 0.000 0.448 312 L N -0.654 120.562 121.223 -0.013 0.000 2.270 312 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 312 L C 2.343 179.204 176.870 -0.016 0.000 1.104 312 L CA 1.581 56.410 54.840 -0.019 0.000 0.804 312 L CB -0.452 41.603 42.059 -0.007 0.000 0.937 312 L HN 0.448 nan 8.230 nan 0.000 0.450 313 Q N -0.454 119.360 119.800 0.022 0.000 2.084 313 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 313 Q C 2.275 178.276 176.000 0.001 0.000 0.978 313 Q CA 1.588 57.435 55.803 0.073 0.000 0.844 313 Q CB -0.353 28.505 28.738 0.200 0.000 0.898 313 Q HN 0.683 nan 8.270 nan 0.000 0.426 314 A N 1.212 123.883 122.820 -0.248 0.000 1.873 314 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 314 A C 2.101 179.579 177.584 -0.177 0.000 1.193 314 A CA 1.703 53.422 52.037 -0.531 0.000 0.629 314 A CB -0.605 17.984 19.000 -0.686 0.000 0.826 314 A HN 0.300 nan 8.150 nan 0.000 0.447 315 M N -1.203 118.322 119.600 -0.126 0.000 2.159 315 M HA -0.103 4.376 4.480 -0.000 0.000 0.263 315 M C 1.863 178.090 176.300 -0.121 0.000 1.063 315 M CA 1.136 56.378 55.300 -0.097 0.000 1.110 315 M CB -0.430 32.131 32.600 -0.065 0.000 1.374 315 M HN 0.340 nan 8.290 nan 0.000 0.411 316 M N -0.230 119.313 119.600 -0.095 0.000 2.630 316 M HA -0.051 4.429 4.480 -0.000 0.000 0.254 316 M C 0.760 176.987 176.300 -0.121 0.000 1.092 316 M CA 1.090 56.340 55.300 -0.083 0.000 1.087 316 M CB -0.615 31.962 32.600 -0.038 0.000 1.453 316 M HN 0.199 nan 8.290 nan 0.000 0.509 317 E N -0.192 119.888 120.200 -0.201 0.000 2.548 317 E HA 0.299 4.649 4.350 -0.000 0.000 0.206 317 E C 0.867 177.006 176.600 -0.768 0.000 1.005 317 E CA 0.185 56.392 56.400 -0.323 0.000 0.951 317 E CB 0.573 30.208 29.700 -0.108 0.000 1.035 317 E HN 0.550 nan 8.360 nan 0.000 0.470 318 G N 1.610 110.050 108.800 -0.600 0.000 2.140 318 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.211 318 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.211 318 G C -0.400 174.139 174.900 -0.603 0.000 1.013 318 G CA -0.399 44.363 45.100 -0.562 0.000 0.705 318 G HN 0.103 nan 8.290 nan 0.000 0.508 319 F N 1.073 120.971 119.950 -0.086 0.000 2.518 319 F HA 0.457 4.984 4.527 -0.000 0.000 0.323 319 F C 0.158 175.896 175.800 -0.103 0.000 1.129 319 F CA -2.062 55.880 58.000 -0.096 0.000 0.920 319 F CB 1.298 40.211 39.000 -0.146 0.000 1.160 319 F HN -0.077 nan 8.300 nan 0.000 0.440 320 D N 2.115 122.577 120.400 0.105 0.000 2.455 320 D HA 0.147 4.787 4.640 -0.000 0.000 0.241 320 D C -0.186 176.125 176.300 0.020 0.000 1.138 320 D CA 0.255 54.276 54.000 0.035 0.000 0.877 320 D CB 1.612 42.426 40.800 0.024 0.000 1.187 320 D HN 0.132 nan 8.370 nan 0.000 0.451 321 V N 2.855 122.763 119.914 -0.011 0.000 2.370 321 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 321 V C 0.482 176.562 176.094 -0.023 0.000 1.029 321 V CA -0.435 61.848 62.300 -0.029 0.000 0.870 321 V CB 1.368 33.166 31.823 -0.041 0.000 0.984 321 V HN 0.427 nan 8.190 nan 0.000 0.451 322 V N 1.901 121.799 119.914 -0.028 0.000 3.181 322 V HA 0.833 4.953 4.120 -0.000 0.000 0.308 322 V C -0.082 175.990 176.094 -0.037 0.000 1.214 322 V CA -0.657 61.626 62.300 -0.028 0.000 1.053 322 V CB 1.959 33.766 31.823 -0.026 0.000 1.069 322 V HN 0.784 nan 8.190 nan 0.000 0.441 323 T N -1.311 113.219 114.554 -0.040 0.000 2.881 323 T HA 0.532 4.882 4.350 -0.000 0.000 0.278 323 T C 1.002 175.649 174.700 -0.089 0.000 0.982 323 T CA 0.047 62.113 62.100 -0.056 0.000 0.989 323 T CB 1.501 70.343 68.868 -0.044 0.000 1.058 323 T HN 0.716 nan 8.240 nan 0.000 0.529 324 V N 1.134 120.961 119.914 -0.144 0.000 2.427 324 V HA -0.085 4.034 4.120 -0.000 0.000 0.248 324 V C 2.693 178.637 176.094 -0.251 0.000 1.051 324 V CA 1.776 63.928 62.300 -0.248 0.000 1.048 324 V CB -1.156 30.402 31.823 -0.441 0.000 0.666 324 V HN 0.853 nan 8.190 nan 0.000 0.456 325 E N 1.076 121.170 120.200 -0.178 0.000 2.049 325 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 325 E C 2.188 178.768 176.600 -0.034 0.000 1.007 325 E CA 1.864 58.233 56.400 -0.052 0.000 0.809 325 E CB -0.340 29.368 29.700 0.012 0.000 0.749 325 E HN 0.904 nan 8.360 nan 0.000 0.450 326 E N -0.498 119.679 120.200 -0.039 0.000 2.358 326 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 326 E C 1.368 177.952 176.600 -0.027 0.000 1.010 326 E CA 0.938 57.324 56.400 -0.025 0.000 0.856 326 E CB 0.222 29.910 29.700 -0.020 0.000 0.795 326 E HN 0.196 nan 8.360 nan 0.000 0.504 327 A N 0.319 123.114 122.820 -0.043 0.000 2.456 327 A HA 0.245 4.565 4.320 -0.000 0.000 0.237 327 A C 1.757 179.321 177.584 -0.034 0.000 1.217 327 A CA -0.312 51.705 52.037 -0.034 0.000 0.962 327 A CB 0.036 19.014 19.000 -0.037 0.000 1.079 327 A HN 0.213 nan 8.150 nan 0.000 0.536 328 I N 0.784 121.326 120.570 -0.047 0.000 2.286 328 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 328 I C 2.156 178.268 176.117 -0.008 0.000 1.115 328 I CA 1.837 63.115 61.300 -0.038 0.000 1.392 328 I CB -0.310 37.659 38.000 -0.051 0.000 1.065 328 I HN 0.229 nan 8.210 nan 0.000 0.418 329 G N -0.856 107.942 108.800 -0.003 0.000 2.598 329 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.215 329 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.215 329 G C 1.255 176.161 174.900 0.009 0.000 1.131 329 G CA 0.623 45.726 45.100 0.005 0.000 0.785 329 G HN 0.388 nan 8.290 nan 0.000 0.539 330 D N 0.277 120.680 120.400 0.005 0.000 2.360 330 D HA 0.208 4.848 4.640 -0.000 0.000 0.210 330 D C 1.219 177.526 176.300 0.011 0.000 1.047 330 D CA 0.087 54.092 54.000 0.009 0.000 0.854 330 D CB 0.691 41.494 40.800 0.005 0.000 0.936 330 D HN 0.253 nan 8.370 nan 0.000 0.514 331 A N 1.170 123.995 122.820 0.009 0.000 2.309 331 A HA 0.156 4.476 4.320 -0.000 0.000 0.290 331 A C 0.765 178.361 177.584 0.021 0.000 1.206 331 A CA -0.358 51.684 52.037 0.009 0.000 0.850 331 A CB 0.728 19.727 19.000 -0.002 0.000 1.118 331 A HN -0.156 nan 8.150 nan 0.000 0.523 332 D N 1.344 121.758 120.400 0.023 0.000 2.194 332 D HA 0.073 4.713 4.640 -0.000 0.000 0.204 332 D C 0.317 176.638 176.300 0.034 0.000 0.964 332 D CA 1.487 55.507 54.000 0.034 0.000 0.846 332 D CB 0.212 41.032 40.800 0.032 0.000 0.962 332 D HN 0.590 nan 8.370 nan 0.000 0.490 333 I N 0.933 121.516 120.570 0.022 0.000 2.534 333 I HA 0.228 4.398 4.170 -0.000 0.000 0.288 333 I C -0.926 175.195 176.117 0.008 0.000 1.077 333 I CA -0.788 60.523 61.300 0.018 0.000 1.051 333 I CB 2.951 40.959 38.000 0.015 0.000 1.234 333 I HN -0.421 nan 8.210 nan 0.000 0.425 334 V N 6.701 126.620 119.914 0.009 0.000 2.409 334 V HA 0.462 4.581 4.120 -0.000 0.000 0.291 334 V C -0.187 175.908 176.094 0.001 0.000 1.020 334 V CA -0.596 61.704 62.300 -0.001 0.000 0.848 334 V CB 2.185 34.008 31.823 0.001 0.000 0.990 334 V HN 0.454 nan 8.190 nan 0.000 0.430 335 V N 3.709 123.618 119.914 -0.008 0.000 2.487 335 V HA 0.547 4.667 4.120 -0.000 0.000 0.298 335 V C 0.223 176.314 176.094 -0.005 0.000 1.028 335 V CA -0.628 61.670 62.300 -0.003 0.000 0.860 335 V CB 2.186 34.004 31.823 -0.008 0.000 0.991 335 V HN 0.942 nan 8.190 nan 0.000 0.427 336 T N 1.087 115.645 114.554 0.006 0.000 2.767 336 T HA 0.719 5.069 4.350 -0.000 0.000 0.288 336 T C 0.267 174.974 174.700 0.011 0.000 0.963 336 T CA 0.014 62.121 62.100 0.011 0.000 1.019 336 T CB 1.692 70.576 68.868 0.027 0.000 0.923 336 T HN 1.034 nan 8.240 nan 0.000 0.468 337 A N 2.503 125.323 122.820 0.001 0.000 2.610 337 A HA 0.421 4.741 4.320 -0.000 0.000 0.290 337 A C 1.567 179.134 177.584 -0.027 0.000 1.001 337 A CA 0.109 52.137 52.037 -0.014 0.000 1.004 337 A CB -0.219 18.764 19.000 -0.030 0.000 1.220 337 A HN 0.963 nan 8.150 nan 0.000 0.507 338 T N -4.443 110.100 114.554 -0.019 0.000 3.010 338 T HA 0.359 4.709 4.350 -0.000 0.000 0.252 338 T C 1.606 176.238 174.700 -0.114 0.000 1.047 338 T CA 1.232 63.306 62.100 -0.043 0.000 1.140 338 T CB -0.238 68.619 68.868 -0.018 0.000 0.885 338 T HN 1.750 nan 8.240 nan 0.000 0.464 339 G N 1.718 110.418 108.800 -0.167 0.000 2.160 339 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.251 339 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.251 339 G C -0.118 174.379 174.900 -0.671 0.000 1.008 339 G CA 0.228 45.004 45.100 -0.541 0.000 0.724 339 G HN 0.814 nan 8.290 nan 0.000 0.514 340 N N 0.020 118.590 118.700 -0.217 0.000 2.328 340 N HA 0.602 5.341 4.740 -0.000 0.000 0.299 340 N C 0.278 175.932 175.510 0.241 0.000 1.179 340 N CA -0.566 52.474 53.050 -0.016 0.000 0.793 340 N CB 1.234 39.713 38.487 -0.012 0.000 1.366 340 N HN 0.537 nan 8.380 nan 0.000 0.493 341 K N -0.014 120.501 120.400 0.193 0.000 2.098 341 K HA 0.437 4.757 4.320 -0.000 0.000 0.244 341 K C -0.791 175.860 176.600 0.084 0.000 1.014 341 K CA -0.384 55.998 56.287 0.158 0.000 0.917 341 K CB 0.562 33.121 32.500 0.100 0.000 1.072 341 K HN 0.367 nan 8.250 nan 0.000 0.477 342 D N -0.332 120.103 120.400 0.058 0.000 2.907 342 D HA -0.132 4.508 4.640 -0.000 0.000 0.226 342 D C 0.609 176.946 176.300 0.062 0.000 1.141 342 D CA 0.663 54.689 54.000 0.044 0.000 0.779 342 D CB -0.800 40.016 40.800 0.028 0.000 1.095 342 D HN 0.532 nan 8.370 nan 0.000 0.430 343 I N -0.698 119.912 120.570 0.066 0.000 2.235 343 I HA -0.064 4.106 4.170 -0.000 0.000 0.241 343 I C 1.306 177.479 176.117 0.093 0.000 1.085 343 I CA 0.908 62.245 61.300 0.061 0.000 1.378 343 I CB -0.187 37.838 38.000 0.042 0.000 1.076 343 I HN 0.083 nan 8.210 nan 0.000 0.415 344 I N 3.055 123.686 120.570 0.102 0.000 2.405 344 I HA 0.270 4.440 4.170 -0.000 0.000 0.280 344 I C 0.075 176.278 176.117 0.144 0.000 1.027 344 I CA -0.297 61.099 61.300 0.160 0.000 1.161 344 I CB 1.186 39.229 38.000 0.071 0.000 1.300 344 I HN 0.016 nan 8.210 nan 0.000 0.463 345 M N 4.195 123.912 119.600 0.194 0.000 2.363 345 M HA 0.234 4.714 4.480 -0.000 0.000 0.280 345 M C 1.291 177.532 176.300 -0.099 0.000 1.182 345 M CA -0.786 54.488 55.300 -0.044 0.000 0.974 345 M CB 0.650 33.150 32.600 -0.166 0.000 1.452 345 M HN 0.354 nan 8.290 nan 0.000 0.507 346 L N 1.357 122.512 121.223 -0.112 0.000 2.043 346 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 346 L C 2.153 178.931 176.870 -0.153 0.000 1.075 346 L CA 2.104 56.886 54.840 -0.098 0.000 0.752 346 L CB -0.819 41.197 42.059 -0.072 0.000 0.891 346 L HN 0.844 nan 8.230 nan 0.000 0.432 347 E N -1.660 118.401 120.200 -0.232 0.000 2.106 347 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 347 E C 2.011 178.493 176.600 -0.197 0.000 0.984 347 E CA 1.301 57.554 56.400 -0.245 0.000 0.806 347 E CB -0.161 29.366 29.700 -0.288 0.000 0.750 347 E HN 0.754 nan 8.360 nan 0.000 0.458 348 H N -0.254 118.772 119.070 -0.073 0.000 2.428 348 H HA -0.016 4.540 4.556 -0.000 0.000 0.296 348 H C 2.100 177.382 175.328 -0.078 0.000 1.062 348 H CA 1.091 57.101 56.048 -0.064 0.000 1.350 348 H CB 0.149 29.886 29.762 -0.041 0.000 1.403 348 H HN 0.187 nan 8.280 nan 0.000 0.533 349 I N 0.852 121.428 120.570 0.010 0.000 2.315 349 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 349 I C 1.886 177.905 176.117 -0.163 0.000 1.117 349 I CA 1.238 62.530 61.300 -0.013 0.000 1.404 349 I CB -0.090 37.932 38.000 0.036 0.000 1.071 349 I HN 0.151 nan 8.210 nan 0.000 0.419 350 K N 0.735 120.926 120.400 -0.348 0.000 2.362 350 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 350 K C 1.915 178.336 176.600 -0.298 0.000 1.046 350 K CA 1.117 57.041 56.287 -0.606 0.000 0.952 350 K CB -0.059 32.094 32.500 -0.579 0.000 0.753 350 K HN 0.315 nan 8.250 nan 0.000 0.466 351 A N 0.553 123.288 122.820 -0.141 0.000 2.147 351 A HA 0.133 4.453 4.320 -0.000 0.000 0.211 351 A C 0.784 178.355 177.584 -0.022 0.000 1.160 351 A CA -0.100 51.901 52.037 -0.058 0.000 0.781 351 A CB -0.087 18.906 19.000 -0.011 0.000 0.842 351 A HN 0.123 nan 8.150 nan 0.000 0.475 352 M N 1.670 121.263 119.600 -0.011 0.000 2.248 352 M HA 0.051 4.531 4.480 -0.000 0.000 0.343 352 M C 0.593 176.917 176.300 0.039 0.000 1.243 352 M CA 0.277 55.590 55.300 0.023 0.000 1.025 352 M CB 0.353 32.980 32.600 0.045 0.000 1.759 352 M HN 0.442 nan 8.290 nan 0.000 0.452 353 K N 1.511 121.938 120.400 0.046 0.000 2.187 353 K HA 0.080 4.400 4.320 -0.000 0.000 0.247 353 K C -0.454 176.205 176.600 0.097 0.000 1.019 353 K CA -0.597 55.726 56.287 0.061 0.000 0.893 353 K CB 0.371 32.902 32.500 0.052 0.000 1.025 353 K HN 0.446 nan 8.250 nan 0.000 0.500 354 D N 0.482 120.951 120.400 0.115 0.000 2.371 354 D HA -0.011 4.629 4.640 -0.000 0.000 0.256 354 D C -0.334 176.117 176.300 0.251 0.000 1.193 354 D CA 0.735 54.843 54.000 0.179 0.000 0.881 354 D CB -0.050 40.847 40.800 0.161 0.000 1.143 354 D HN 0.781 nan 8.370 nan 0.000 0.473 355 H N 0.464 119.579 119.070 0.076 0.000 3.132 355 H HA -0.175 4.381 4.556 -0.000 0.000 0.237 355 H C -0.109 175.254 175.328 0.060 0.000 1.189 355 H CA 0.498 56.585 56.048 0.065 0.000 1.129 355 H CB -1.405 28.386 29.762 0.048 0.000 1.225 355 H HN 0.507 nan 8.280 nan 0.000 0.323 356 A N 0.963 123.854 122.820 0.119 0.000 2.406 356 A HA 0.495 4.814 4.320 -0.000 0.000 0.243 356 A C 0.720 178.341 177.584 0.061 0.000 1.082 356 A CA 0.011 52.098 52.037 0.083 0.000 0.786 356 A CB 0.430 19.472 19.000 0.070 0.000 1.029 356 A HN 0.299 nan 8.150 nan 0.000 0.495 357 I N 1.146 121.747 120.570 0.052 0.000 2.336 357 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 357 I C -0.584 175.556 176.117 0.039 0.000 0.991 357 I CA -0.439 60.887 61.300 0.044 0.000 1.227 357 I CB 1.440 39.463 38.000 0.039 0.000 1.366 357 I HN 0.483 nan 8.210 nan 0.000 0.466 358 L N 6.469 127.717 121.223 0.042 0.000 2.313 358 L HA 0.879 5.219 4.340 -0.000 0.000 0.283 358 L C -0.083 176.806 176.870 0.033 0.000 1.013 358 L CA 0.106 54.966 54.840 0.034 0.000 0.816 358 L CB 1.316 43.395 42.059 0.033 0.000 1.236 358 L HN 0.642 nan 8.230 nan 0.000 0.419 359 G N 2.761 111.578 108.800 0.027 0.000 2.660 359 G HA2 0.448 4.408 3.960 -0.000 0.000 0.294 359 G HA3 0.448 4.408 3.960 -0.000 0.000 0.294 359 G C -1.851 173.065 174.900 0.026 0.000 1.369 359 G CA -0.682 44.436 45.100 0.030 0.000 0.912 359 G HN 0.627 nan 8.290 nan 0.000 0.479 360 N N 0.157 118.876 118.700 0.032 0.000 2.354 360 N HA 0.430 5.170 4.740 -0.000 0.000 0.287 360 N C -0.252 175.274 175.510 0.028 0.000 1.016 360 N CA -0.781 52.288 53.050 0.031 0.000 0.871 360 N CB 1.913 40.420 38.487 0.034 0.000 1.299 360 N HN 0.315 nan 8.380 nan 0.000 0.482 361 I N 2.003 122.586 120.570 0.021 0.000 4.154 361 I HA 0.414 4.583 4.170 -0.000 0.000 0.334 361 I C 1.146 177.268 176.117 0.008 0.000 1.371 361 I CA -0.222 61.086 61.300 0.014 0.000 1.110 361 I CB 0.153 38.163 38.000 0.016 0.000 1.085 361 I HN 0.687 nan 8.210 nan 0.000 0.398 362 G N 0.976 109.789 108.800 0.023 0.000 2.542 362 G HA2 0.029 3.989 3.960 -0.000 0.000 0.211 362 G HA3 0.029 3.989 3.960 -0.000 0.000 0.211 362 G C 0.035 174.960 174.900 0.041 0.000 1.702 362 G CA 0.391 45.509 45.100 0.030 0.000 0.935 362 G HN 0.417 nan 8.290 nan 0.000 0.509 363 H N -1.712 117.270 119.070 -0.146 0.000 2.928 363 H HA 0.510 5.066 4.556 -0.000 0.000 0.371 363 H C 0.516 175.722 175.328 -0.203 0.000 1.186 363 H CA -1.287 54.568 56.048 -0.322 0.000 1.134 363 H CB 0.637 30.115 29.762 -0.474 0.000 1.824 363 H HN 0.283 nan 8.280 nan 0.000 0.554 364 F N 0.543 120.385 119.950 -0.180 0.000 3.198 364 F HA -0.402 4.125 4.527 -0.000 0.000 0.262 364 F C 1.576 177.252 175.800 -0.206 0.000 1.473 364 F CA 2.723 60.576 58.000 -0.246 0.000 1.744 364 F CB -1.028 37.779 39.000 -0.321 0.000 0.563 364 F HN 0.851 nan 8.300 nan 0.000 0.395 365 D N -1.496 118.906 120.400 0.002 0.000 2.682 365 D HA 0.102 4.741 4.640 -0.000 0.000 0.291 365 D C 0.177 176.456 176.300 -0.036 0.000 1.585 365 D CA 0.549 54.539 54.000 -0.016 0.000 0.845 365 D CB -1.207 39.596 40.800 0.004 0.000 1.323 365 D HN 0.566 nan 8.370 nan 0.000 0.438 366 N N 0.539 119.193 118.700 -0.077 0.000 2.184 366 N HA 0.012 4.752 4.740 -0.000 0.000 0.206 366 N C 0.962 176.470 175.510 -0.003 0.000 1.151 366 N CA -0.114 52.908 53.050 -0.047 0.000 0.878 366 N CB 0.216 38.670 38.487 -0.055 0.000 1.014 366 N HN 0.134 nan 8.380 nan 0.000 0.512 367 E N 0.826 121.032 120.200 0.011 0.000 2.028 367 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 367 E C 0.265 176.890 176.600 0.042 0.000 0.988 367 E CA 0.736 57.179 56.400 0.072 0.000 0.799 367 E CB 0.171 29.933 29.700 0.105 0.000 0.755 367 E HN 0.395 nan 8.360 nan 0.000 0.447 368 I N 2.655 123.237 120.570 0.020 0.000 2.416 368 I HA -0.013 4.157 4.170 -0.000 0.000 0.288 368 I C 0.252 176.359 176.117 -0.015 0.000 1.051 368 I CA -0.325 60.977 61.300 0.005 0.000 1.375 368 I CB 0.534 38.530 38.000 -0.007 0.000 1.407 368 I HN -0.099 nan 8.210 nan 0.000 0.516 369 D N 7.104 127.492 120.400 -0.021 0.000 2.662 369 D HA -0.000 4.640 4.640 -0.000 0.000 0.228 369 D C 1.102 177.357 176.300 -0.075 0.000 1.093 369 D CA 0.092 54.068 54.000 -0.039 0.000 1.075 369 D CB 0.488 41.265 40.800 -0.038 0.000 1.122 369 D HN 0.329 nan 8.370 nan 0.000 0.475 370 M N 1.112 120.669 119.600 -0.072 0.000 2.296 370 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 370 M C 1.892 178.134 176.300 -0.096 0.000 1.064 370 M CA 0.634 55.871 55.300 -0.105 0.000 1.109 370 M CB -0.915 31.658 32.600 -0.045 0.000 1.396 370 M HN 0.432 nan 8.290 nan 0.000 0.430 371 A N -0.304 122.484 122.820 -0.052 0.000 1.970 371 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 371 A C 2.373 179.936 177.584 -0.036 0.000 1.170 371 A CA 1.423 53.444 52.037 -0.027 0.000 0.645 371 A CB -1.165 17.830 19.000 -0.008 0.000 0.816 371 A HN 0.460 nan 8.150 nan 0.000 0.447 372 G N 0.351 109.121 108.800 -0.051 0.000 2.480 372 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 372 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 372 G C 1.512 176.374 174.900 -0.063 0.000 1.200 372 G CA 1.272 46.344 45.100 -0.047 0.000 0.782 372 G HN 0.451 nan 8.290 nan 0.000 0.554 373 L N 0.706 121.842 121.223 -0.145 0.000 1.971 373 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 373 L C 2.799 179.479 176.870 -0.317 0.000 1.072 373 L CA 2.541 57.204 54.840 -0.294 0.000 0.758 373 L CB -0.702 40.993 42.059 -0.605 0.000 0.889 373 L HN 0.406 nan 8.230 nan 0.000 0.433 374 E N -0.955 119.090 120.200 -0.258 0.000 2.171 374 E HA -0.215 4.134 4.350 -0.000 0.000 0.197 374 E C 1.874 178.552 176.600 0.129 0.000 0.997 374 E CA 1.003 57.434 56.400 0.053 0.000 0.810 374 E CB -0.075 29.695 29.700 0.116 0.000 0.738 374 E HN 0.446 nan 8.360 nan 0.000 0.467 375 R N 0.116 120.649 120.500 0.055 0.000 2.334 375 R HA 0.073 4.413 4.340 -0.000 0.000 0.216 375 R C 2.137 178.480 176.300 0.070 0.000 0.905 375 R CA 0.532 56.672 56.100 0.065 0.000 1.064 375 R CB 0.385 30.709 30.300 0.040 0.000 1.046 375 R HN 0.129 nan 8.270 nan 0.000 0.508 376 S N -0.694 115.055 115.700 0.080 0.000 2.453 376 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 376 S C 1.520 176.197 174.600 0.129 0.000 1.005 376 S CA 1.008 59.272 58.200 0.106 0.000 0.949 376 S CB 0.256 63.548 63.200 0.154 0.000 0.774 376 S HN 0.433 nan 8.310 nan 0.000 0.510 377 G N 0.596 109.475 108.800 0.131 0.000 2.201 377 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.212 377 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.212 377 G C 0.278 175.244 174.900 0.111 0.000 0.994 377 G CA -0.091 45.077 45.100 0.113 0.000 0.644 377 G HN 1.198 nan 8.290 nan 0.000 0.508 378 A N 0.592 123.491 122.820 0.133 0.000 2.448 378 A HA 0.634 4.954 4.320 -0.000 0.000 0.239 378 A C 0.895 178.519 177.584 0.066 0.000 1.080 378 A CA 1.368 53.423 52.037 0.029 0.000 0.779 378 A CB 0.115 19.031 19.000 -0.139 0.000 1.026 378 A HN 1.551 nan 8.150 nan 0.000 0.499 379 T N 0.045 114.548 114.554 -0.085 0.000 2.859 379 T HA 0.622 4.972 4.350 -0.000 0.000 0.281 379 T C -0.205 174.215 174.700 -0.468 0.000 1.005 379 T CA -0.751 61.225 62.100 -0.206 0.000 1.025 379 T CB 1.247 70.028 68.868 -0.144 0.000 0.977 379 T HN 0.736 nan 8.240 nan 0.000 0.458 380 R N 1.841 121.908 120.500 -0.722 0.000 2.387 380 R HA 0.604 4.944 4.340 -0.000 0.000 0.314 380 R C -1.642 174.332 176.300 -0.544 0.000 0.958 380 R CA -0.698 54.771 56.100 -1.052 0.000 0.846 380 R CB 1.179 30.521 30.300 -1.596 0.000 1.147 380 R HN 0.594 nan 8.270 nan 0.000 0.447 381 V N 4.257 123.917 119.914 -0.424 0.000 2.384 381 V HA 0.197 4.317 4.120 -0.000 0.000 0.287 381 V C -0.120 175.836 176.094 -0.229 0.000 1.020 381 V CA -1.052 61.096 62.300 -0.253 0.000 0.850 381 V CB 1.270 32.995 31.823 -0.164 0.000 0.987 381 V HN 0.746 nan 8.190 nan 0.000 0.436 382 N N 3.880 122.473 118.700 -0.178 0.000 2.452 382 N HA 0.180 4.920 4.740 -0.000 0.000 0.266 382 N C 0.586 176.044 175.510 -0.086 0.000 1.175 382 N CA 0.039 53.015 53.050 -0.123 0.000 0.945 382 N CB 1.595 40.027 38.487 -0.093 0.000 1.063 382 N HN 0.372 nan 8.380 nan 0.000 0.472 383 V N 3.852 123.724 119.914 -0.070 0.000 2.331 383 V HA 0.011 4.131 4.120 -0.000 0.000 0.242 383 V C 0.802 176.875 176.094 -0.035 0.000 1.034 383 V CA 1.458 63.732 62.300 -0.044 0.000 1.027 383 V CB -0.695 31.109 31.823 -0.031 0.000 0.667 383 V HN 0.887 nan 8.190 nan 0.000 0.457 384 K N -0.988 119.390 120.400 -0.038 0.000 2.617 384 K HA 0.389 4.708 4.320 -0.000 0.000 0.293 384 K C -3.311 173.260 176.600 -0.050 0.000 1.034 384 K CA -1.902 54.364 56.287 -0.034 0.000 0.884 384 K CB 1.004 33.491 32.500 -0.022 0.000 1.541 384 K HN -0.184 nan 8.250 nan 0.000 0.409 385 P HA -0.041 nan 4.420 nan 0.000 0.260 385 P C -0.862 176.360 177.300 -0.130 0.000 1.172 385 P CA 0.856 63.904 63.100 -0.087 0.000 0.760 385 P CB 0.258 31.924 31.700 -0.056 0.000 0.773 386 Q N -0.791 118.878 119.800 -0.218 0.000 2.406 386 Q HA -0.156 4.184 4.340 -0.000 0.000 0.236 386 Q C -0.563 175.376 176.000 -0.102 0.000 0.799 386 Q CA 1.086 56.740 55.803 -0.248 0.000 1.286 386 Q CB -2.132 26.437 28.738 -0.283 0.000 1.615 386 Q HN 0.294 nan 8.270 nan 0.000 0.621 387 V N 0.619 120.494 119.914 -0.065 0.000 2.531 387 V HA 0.631 4.751 4.120 -0.000 0.000 0.301 387 V C -0.234 175.848 176.094 -0.021 0.000 1.034 387 V CA -0.777 61.510 62.300 -0.022 0.000 0.865 387 V CB 2.264 34.077 31.823 -0.017 0.000 0.995 387 V HN 0.079 nan 8.190 nan 0.000 0.424 388 D N 3.566 123.976 120.400 0.017 0.000 2.819 388 D HA 0.472 5.111 4.640 -0.000 0.000 0.232 388 D C -1.227 175.070 176.300 -0.005 0.000 1.160 388 D CA -0.469 53.512 54.000 -0.031 0.000 0.858 388 D CB 3.296 44.087 40.800 -0.016 0.000 1.610 388 D HN 0.345 nan 8.370 nan 0.000 0.481 389 L N 2.006 123.155 121.223 -0.124 0.000 2.280 389 L HA 0.443 4.783 4.340 -0.000 0.000 0.287 389 L C -1.493 175.265 176.870 -0.188 0.000 1.023 389 L CA -0.373 54.403 54.840 -0.106 0.000 0.819 389 L CB 0.776 42.752 42.059 -0.138 0.000 1.212 389 L HN 0.320 nan 8.230 nan 0.000 0.420 390 W N 4.014 125.219 121.300 -0.159 0.000 2.478 390 W HA 0.631 5.291 4.660 -0.000 0.000 0.318 390 W C -0.215 176.099 176.519 -0.340 0.000 1.062 390 W CA -0.329 56.871 57.345 -0.242 0.000 1.210 390 W CB 2.163 31.480 29.460 -0.239 0.000 1.325 390 W HN 0.372 nan 8.180 nan 0.000 0.496 391 T N 4.114 118.554 114.554 -0.191 0.000 2.824 391 T HA 0.443 4.793 4.350 -0.000 0.000 0.282 391 T C -1.113 173.403 174.700 -0.307 0.000 0.993 391 T CA -0.614 61.376 62.100 -0.184 0.000 0.967 391 T CB 0.592 69.419 68.868 -0.069 0.000 0.960 391 T HN -0.030 nan 8.240 nan 0.000 0.441 392 F N 1.812 121.821 119.950 0.100 0.000 2.334 392 F HA 0.410 4.937 4.527 -0.000 0.000 0.367 392 F C 1.601 177.437 175.800 0.060 0.000 1.115 392 F CA -0.908 57.141 58.000 0.082 0.000 1.116 392 F CB 0.815 39.855 39.000 0.068 0.000 1.230 392 F HN 0.803 nan 8.300 nan 0.000 0.484 393 G N 1.476 110.375 108.800 0.165 0.000 2.537 393 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 393 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 393 G C 1.260 176.229 174.900 0.116 0.000 1.111 393 G CA 1.160 46.328 45.100 0.113 0.000 0.748 393 G HN 0.684 nan 8.290 nan 0.000 0.564 394 D N -0.363 120.127 120.400 0.150 0.000 2.338 394 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 394 D C 2.113 178.463 176.300 0.083 0.000 0.997 394 D CA 1.429 55.489 54.000 0.101 0.000 0.880 394 D CB -0.816 40.035 40.800 0.086 0.000 0.980 394 D HN 0.317 nan 8.370 nan 0.000 0.509 395 T N -4.280 110.339 114.554 0.108 0.000 3.014 395 T HA 0.387 4.737 4.350 -0.000 0.000 0.250 395 T C 1.808 176.569 174.700 0.102 0.000 1.060 395 T CA 0.558 62.705 62.100 0.079 0.000 1.040 395 T CB 0.237 69.132 68.868 0.045 0.000 0.971 395 T HN 0.327 nan 8.240 nan 0.000 0.497 396 G N 2.148 111.030 108.800 0.137 0.000 2.168 396 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.263 396 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.263 396 G C 0.159 175.149 174.900 0.150 0.000 0.977 396 G CA 0.028 45.202 45.100 0.125 0.000 0.659 396 G HN 0.663 nan 8.290 nan 0.000 0.533 397 R N 0.132 120.751 120.500 0.198 0.000 2.457 397 R HA 0.624 4.964 4.340 -0.000 0.000 0.284 397 R C -0.399 176.067 176.300 0.276 0.000 1.024 397 R CA -0.189 56.040 56.100 0.215 0.000 1.025 397 R CB 1.358 31.766 30.300 0.181 0.000 1.063 397 R HN 0.163 nan 8.270 nan 0.000 0.493 398 S N 1.782 117.606 115.700 0.207 0.000 2.513 398 S HA 0.539 5.009 4.470 -0.000 0.000 0.299 398 S C -0.441 174.198 174.600 0.064 0.000 1.087 398 S CA -0.806 57.455 58.200 0.101 0.000 1.012 398 S CB 1.268 64.445 63.200 -0.039 0.000 1.044 398 S HN 0.524 nan 8.310 nan 0.000 0.485 399 I N -0.259 120.367 120.570 0.094 0.000 2.740 399 I HA 0.695 4.864 4.170 -0.000 0.000 0.303 399 I C -1.026 175.113 176.117 0.036 0.000 1.044 399 I CA -0.893 60.450 61.300 0.071 0.000 1.064 399 I CB 1.125 39.218 38.000 0.155 0.000 1.249 399 I HN 0.496 nan 8.210 nan 0.000 0.433 400 I N 4.583 125.161 120.570 0.013 0.000 2.353 400 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 400 I C -0.704 175.464 176.117 0.084 0.000 0.992 400 I CA -0.864 60.456 61.300 0.034 0.000 1.268 400 I CB 1.736 39.738 38.000 0.003 0.000 1.387 400 I HN 0.347 nan 8.210 nan 0.000 0.478 401 V N 7.527 127.523 119.914 0.138 0.000 2.409 401 V HA 0.385 4.504 4.120 -0.000 0.000 0.291 401 V C 0.053 176.206 176.094 0.099 0.000 1.020 401 V CA -0.601 61.776 62.300 0.129 0.000 0.848 401 V CB 1.720 33.653 31.823 0.182 0.000 0.990 401 V HN 0.464 nan 8.190 nan 0.000 0.430 402 L N 3.814 125.077 121.223 0.066 0.000 2.312 402 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 402 L C 1.216 178.119 176.870 0.054 0.000 1.070 402 L CA -0.321 54.546 54.840 0.045 0.000 0.805 402 L CB 1.383 43.463 42.059 0.035 0.000 1.174 402 L HN 0.825 nan 8.230 nan 0.000 0.434 403 S N 1.316 117.025 115.700 0.014 0.000 3.364 403 S HA -0.248 4.222 4.470 -0.000 0.000 0.361 403 S C 0.647 175.353 174.600 0.176 0.000 1.107 403 S CA 1.301 59.505 58.200 0.007 0.000 1.029 403 S CB -1.363 61.901 63.200 0.105 0.000 0.912 403 S HN 0.925 nan 8.310 nan 0.000 0.513 404 E N -1.828 118.467 120.200 0.157 0.000 2.586 404 E HA -0.252 4.097 4.350 -0.000 0.000 0.259 404 E C 0.952 177.655 176.600 0.173 0.000 1.107 404 E CA 0.647 57.178 56.400 0.219 0.000 0.754 404 E CB -2.017 27.878 29.700 0.324 0.000 1.335 404 E HN 1.386 nan 8.360 nan 0.000 0.411 405 G N -0.653 108.221 108.800 0.122 0.000 2.176 405 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.253 405 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.253 405 G C 0.393 175.338 174.900 0.075 0.000 0.979 405 G CA 0.597 45.741 45.100 0.074 0.000 0.641 405 G HN 0.238 nan 8.290 nan 0.000 0.530 406 R N -0.519 120.057 120.500 0.127 0.000 2.541 406 R HA 0.708 5.048 4.340 -0.000 0.000 0.254 406 R C 1.175 177.534 176.300 0.098 0.000 1.130 406 R CA -0.829 55.334 56.100 0.104 0.000 1.152 406 R CB 0.158 30.547 30.300 0.148 0.000 1.222 406 R HN 0.175 nan 8.270 nan 0.000 0.579 407 L N 3.922 125.183 121.223 0.064 0.000 2.780 407 L HA -0.088 4.252 4.340 -0.000 0.000 0.275 407 L C 1.398 178.294 176.870 0.043 0.000 1.153 407 L CA 0.055 54.912 54.840 0.028 0.000 0.993 407 L CB -0.337 41.706 42.059 -0.026 0.000 1.319 407 L HN 0.624 nan 8.230 nan 0.000 0.479 408 L N 2.839 124.084 121.223 0.037 0.000 2.201 408 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 408 L C 2.169 179.053 176.870 0.024 0.000 1.105 408 L CA 1.615 56.478 54.840 0.038 0.000 0.775 408 L CB -0.782 41.297 42.059 0.034 0.000 0.913 408 L HN 0.731 nan 8.230 nan 0.000 0.440 409 N N 0.355 119.059 118.700 0.006 0.000 2.331 409 N HA -0.150 4.590 4.740 -0.000 0.000 0.180 409 N C 1.589 177.085 175.510 -0.022 0.000 1.019 409 N CA 1.768 54.821 53.050 0.005 0.000 0.881 409 N CB -0.554 37.947 38.487 0.024 0.000 0.972 409 N HN 0.530 nan 8.380 nan 0.000 0.435 410 L N -0.571 120.613 121.223 -0.066 0.000 2.470 410 L HA 0.349 4.689 4.340 -0.000 0.000 0.219 410 L C 2.398 179.282 176.870 0.022 0.000 1.071 410 L CA 0.512 55.301 54.840 -0.084 0.000 0.850 410 L CB -0.112 41.776 42.059 -0.286 0.000 1.040 410 L HN 0.246 nan 8.230 nan 0.000 0.475 411 G N -0.331 108.508 108.800 0.066 0.000 2.394 411 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.214 411 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.214 411 G C 1.325 176.247 174.900 0.037 0.000 1.176 411 G CA 0.568 45.741 45.100 0.122 0.000 0.786 411 G HN 0.289 nan 8.290 nan 0.000 0.533 412 N N 0.372 119.086 118.700 0.024 0.000 2.388 412 N HA 0.247 4.987 4.740 -0.000 0.000 0.176 412 N C 1.075 176.601 175.510 0.027 0.000 1.062 412 N CA 0.620 53.675 53.050 0.010 0.000 0.895 412 N CB 0.732 39.224 38.487 0.009 0.000 1.018 412 N HN 0.389 nan 8.380 nan 0.000 0.456 413 A N 0.433 123.275 122.820 0.037 0.000 3.837 413 A HA 0.439 4.759 4.320 -0.000 0.000 0.167 413 A C 0.963 178.581 177.584 0.056 0.000 0.997 413 A CA 0.098 52.166 52.037 0.051 0.000 0.865 413 A CB -0.061 18.976 19.000 0.061 0.000 1.484 413 A HN 0.120 nan 8.150 nan 0.000 0.688 414 T N -3.040 111.554 114.554 0.067 0.000 3.044 414 T HA 0.505 4.855 4.350 -0.000 0.000 0.260 414 T C 1.032 175.754 174.700 0.037 0.000 1.019 414 T CA 1.244 63.383 62.100 0.066 0.000 0.921 414 T CB -0.501 68.423 68.868 0.093 0.000 1.053 414 T HN 2.583 nan 8.240 nan 0.000 0.533 415 G N 1.361 110.176 108.800 0.026 0.000 2.632 415 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.224 415 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.224 415 G C -0.620 174.340 174.900 0.100 0.000 1.341 415 G CA -0.594 44.495 45.100 -0.020 0.000 0.880 415 G HN 0.777 nan 8.290 nan 0.000 0.566 416 H N 2.085 121.152 119.070 -0.005 0.000 2.790 416 H HA 0.310 4.865 4.556 -0.000 0.000 0.358 416 H C -1.465 173.828 175.328 -0.057 0.000 1.103 416 H CA -0.432 55.608 56.048 -0.013 0.000 1.426 416 H CB 0.706 30.442 29.762 -0.043 0.000 1.424 416 H HN 0.476 nan 8.280 nan 0.000 0.599 417 P HA 0.000 nan 4.420 nan 0.000 0.274 417 P C 0.293 177.579 177.300 -0.023 0.000 1.256 417 P CA -0.306 62.721 63.100 -0.121 0.000 0.795 417 P CB 1.071 32.503 31.700 -0.447 0.000 1.038 418 S N 0.140 115.848 115.700 0.013 0.000 2.368 418 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 418 S C 1.614 176.261 174.600 0.079 0.000 1.044 418 S CA 1.516 59.748 58.200 0.055 0.000 1.062 418 S CB -1.133 62.116 63.200 0.082 0.000 0.931 418 S HN 0.528 nan 8.310 nan 0.000 0.440 419 F N 1.816 121.752 119.950 -0.024 0.000 2.186 419 F HA -0.104 4.423 4.527 0.000 0.000 0.299 419 F C 2.219 178.000 175.800 -0.031 0.000 1.090 419 F CA 0.839 58.846 58.000 0.011 0.000 1.307 419 F CB -0.312 38.696 39.000 0.014 0.000 1.019 419 F HN -0.049 nan 8.300 nan 0.000 0.489 420 V N 0.261 120.229 119.914 0.091 0.000 2.287 420 V HA -0.365 3.755 4.120 -0.000 0.000 0.248 420 V C 2.353 178.353 176.094 -0.157 0.000 1.053 420 V CA 1.844 64.130 62.300 -0.023 0.000 1.027 420 V CB -0.596 31.223 31.823 -0.007 0.000 0.646 420 V HN 0.294 nan 8.190 nan 0.000 0.447 421 M N -0.307 119.191 119.600 -0.169 0.000 2.446 421 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 421 M C 2.329 178.435 176.300 -0.322 0.000 1.066 421 M CA 1.371 56.445 55.300 -0.377 0.000 1.087 421 M CB -1.704 30.661 32.600 -0.392 0.000 1.406 421 M HN 0.450 nan 8.290 nan 0.000 0.459 422 S N 0.534 116.118 115.700 -0.194 0.000 2.453 422 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 422 S C 1.693 176.210 174.600 -0.138 0.000 1.005 422 S CA 1.077 59.235 58.200 -0.070 0.000 0.949 422 S CB -0.023 63.157 63.200 -0.034 0.000 0.774 422 S HN 0.436 nan 8.310 nan 0.000 0.510 423 N N 1.250 119.691 118.700 -0.431 0.000 2.148 423 N HA 0.067 4.807 4.740 -0.000 0.000 0.186 423 N C 1.932 177.318 175.510 -0.207 0.000 1.031 423 N CA 1.579 54.333 53.050 -0.493 0.000 0.848 423 N CB -0.660 37.502 38.487 -0.542 0.000 1.005 423 N HN 0.318 nan 8.380 nan 0.000 0.427 424 S N 0.288 115.868 115.700 -0.201 0.000 2.368 424 S HA -0.026 4.444 4.470 -0.000 0.000 0.225 424 S C 1.451 176.122 174.600 0.119 0.000 1.030 424 S CA 0.821 58.958 58.200 -0.105 0.000 0.999 424 S CB -0.271 62.774 63.200 -0.258 0.000 0.844 424 S HN 0.233 nan 8.310 nan 0.000 0.459 425 F N 1.404 121.351 119.950 -0.005 0.000 2.512 425 F HA 0.361 4.888 4.527 -0.000 0.000 0.296 425 F C 2.400 178.204 175.800 0.008 0.000 1.110 425 F CA -0.505 57.502 58.000 0.011 0.000 1.446 425 F CB -1.245 37.760 39.000 0.007 0.000 1.092 425 F HN 0.175 nan 8.300 nan 0.000 0.554 426 A N 0.185 123.114 122.820 0.183 0.000 1.968 426 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 426 A C 2.016 179.653 177.584 0.089 0.000 1.169 426 A CA 1.537 53.644 52.037 0.116 0.000 0.638 426 A CB -0.943 18.124 19.000 0.111 0.000 0.812 426 A HN 0.340 nan 8.150 nan 0.000 0.446 427 N N -0.392 118.355 118.700 0.078 0.000 2.104 427 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 427 N C 2.031 177.590 175.510 0.081 0.000 1.024 427 N CA 1.582 54.671 53.050 0.064 0.000 0.853 427 N CB -0.098 38.422 38.487 0.054 0.000 1.008 427 N HN 0.438 nan 8.380 nan 0.000 0.424 428 Q N -0.153 119.724 119.800 0.129 0.000 2.049 428 Q HA -0.040 4.300 4.340 -0.000 0.000 0.198 428 Q C 2.002 178.031 176.000 0.049 0.000 0.971 428 Q CA 1.313 57.178 55.803 0.103 0.000 0.833 428 Q CB -0.519 28.305 28.738 0.143 0.000 0.896 428 Q HN 0.425 nan 8.270 nan 0.000 0.434 429 T N 2.006 116.588 114.554 0.045 0.000 2.665 429 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 429 T C 2.021 176.716 174.700 -0.008 0.000 1.035 429 T CA 1.157 63.262 62.100 0.008 0.000 1.151 429 T CB -0.283 68.597 68.868 0.020 0.000 0.862 429 T HN 0.200 nan 8.240 nan 0.000 0.438 430 I N 1.203 121.785 120.570 0.020 0.000 2.208 430 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 430 I C 2.885 178.999 176.117 -0.004 0.000 1.097 430 I CA 1.172 62.479 61.300 0.013 0.000 1.363 430 I CB -0.445 37.578 38.000 0.039 0.000 1.051 430 I HN 0.215 nan 8.210 nan 0.000 0.413 431 A N -0.157 122.665 122.820 0.003 0.000 1.930 431 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 431 A C 2.267 179.830 177.584 -0.035 0.000 1.175 431 A CA 1.248 53.275 52.037 -0.016 0.000 0.627 431 A CB -0.372 18.628 19.000 0.000 0.000 0.815 431 A HN 0.395 nan 8.150 nan 0.000 0.443 432 Q N -0.502 119.285 119.800 -0.023 0.000 2.123 432 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 432 Q C 2.092 178.098 176.000 0.010 0.000 0.966 432 Q CA 1.192 56.983 55.803 -0.020 0.000 0.845 432 Q CB -0.290 28.425 28.738 -0.038 0.000 0.907 432 Q HN 0.779 nan 8.270 nan 0.000 0.439 433 I N 0.894 121.447 120.570 -0.029 0.000 2.252 433 I HA -0.227 3.942 4.170 -0.000 0.000 0.245 433 I C 2.327 178.456 176.117 0.020 0.000 1.102 433 I CA 0.921 62.200 61.300 -0.036 0.000 1.385 433 I CB -0.204 37.662 38.000 -0.224 0.000 1.064 433 I HN 0.087 nan 8.210 nan 0.000 0.414 434 E N 0.726 120.929 120.200 0.004 0.000 2.058 434 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 434 E C 2.302 178.911 176.600 0.014 0.000 0.997 434 E CA 1.369 57.790 56.400 0.035 0.000 0.801 434 E CB -0.231 29.488 29.700 0.030 0.000 0.746 434 E HN 0.498 nan 8.360 nan 0.000 0.450 435 L N -0.334 120.856 121.223 -0.055 0.000 2.418 435 L HA -0.041 4.298 4.340 -0.000 0.000 0.218 435 L C 2.241 179.149 176.870 0.063 0.000 1.125 435 L CA 0.304 55.083 54.840 -0.101 0.000 0.835 435 L CB -0.136 41.837 42.059 -0.143 0.000 0.953 435 L HN 0.311 nan 8.230 nan 0.000 0.454 436 W N 0.635 121.885 121.300 -0.082 0.000 2.601 436 W HA -0.127 4.533 4.660 -0.000 0.000 0.292 436 W C 2.190 178.684 176.519 -0.041 0.000 1.153 436 W CA 1.492 58.797 57.345 -0.067 0.000 1.448 436 W CB 0.005 29.416 29.460 -0.081 0.000 1.113 436 W HN 0.168 nan 8.180 nan 0.000 0.548 437 T N -1.409 113.101 114.554 -0.074 0.000 3.100 437 T HA 0.123 4.472 4.350 -0.000 0.000 0.253 437 T C 0.879 175.515 174.700 -0.107 0.000 1.118 437 T CA 0.496 62.496 62.100 -0.167 0.000 1.058 437 T CB -0.106 68.746 68.868 -0.026 0.000 0.953 437 T HN -0.002 nan 8.240 nan 0.000 0.515 438 K N 0.615 120.997 120.400 -0.031 0.000 3.165 438 K HA 0.296 4.616 4.320 -0.000 0.000 0.206 438 K C 0.527 177.185 176.600 0.097 0.000 1.123 438 K CA -0.201 56.103 56.287 0.027 0.000 0.978 438 K CB 0.312 32.866 32.500 0.091 0.000 0.749 438 K HN 0.071 nan 8.250 nan 0.000 0.454 439 N N 2.013 120.723 118.700 0.017 0.000 2.289 439 N HA -0.184 4.556 4.740 -0.000 0.000 0.184 439 N C 1.005 176.570 175.510 0.091 0.000 1.016 439 N CA 1.923 55.014 53.050 0.067 0.000 0.872 439 N CB 0.237 38.697 38.487 -0.044 0.000 0.973 439 N HN 0.300 nan 8.380 nan 0.000 0.433 440 D N -0.380 120.028 120.400 0.013 0.000 2.218 440 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 440 D C 0.968 177.250 176.300 -0.030 0.000 0.976 440 D CA 1.030 55.025 54.000 -0.009 0.000 0.853 440 D CB -0.360 40.418 40.800 -0.037 0.000 0.939 440 D HN 0.463 nan 8.370 nan 0.000 0.481 441 E N -1.094 119.050 120.200 -0.094 0.000 2.502 441 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 441 E C -0.446 175.876 176.600 -0.463 0.000 1.062 441 E CA 0.094 56.322 56.400 -0.287 0.000 0.867 441 E CB 0.081 29.521 29.700 -0.433 0.000 0.888 441 E HN 0.430 nan 8.360 nan 0.000 0.510 442 Y N 0.596 120.836 120.300 -0.100 0.000 2.341 442 Y HA 0.225 4.775 4.550 -0.000 0.000 0.338 442 Y C 0.259 176.222 175.900 0.105 0.000 0.965 442 Y CA -1.164 56.862 58.100 -0.124 0.000 1.108 442 Y CB 1.326 39.646 38.460 -0.232 0.000 1.180 442 Y HN -0.176 nan 8.280 nan 0.000 0.458 443 D N 0.523 121.179 120.400 0.427 0.000 2.469 443 D HA 0.152 4.792 4.640 -0.000 0.000 0.278 443 D C -0.107 176.386 176.300 0.323 0.000 1.231 443 D CA -0.167 54.019 54.000 0.309 0.000 1.075 443 D CB 0.500 41.449 40.800 0.249 0.000 1.121 443 D HN 0.419 nan 8.370 nan 0.000 0.571 444 N N 0.868 119.677 118.700 0.182 0.000 2.758 444 N HA 0.113 4.852 4.740 -0.000 0.000 0.293 444 N C -0.798 174.749 175.510 0.062 0.000 1.273 444 N CA -0.069 53.052 53.050 0.118 0.000 1.022 444 N CB 0.015 38.531 38.487 0.048 0.000 1.334 444 N HN 0.398 nan 8.380 nan 0.000 0.519 445 E N -1.898 118.340 120.200 0.063 0.000 2.393 445 E HA 0.489 4.839 4.350 -0.000 0.000 0.265 445 E C -0.790 175.716 176.600 -0.158 0.000 0.941 445 E CA -1.010 55.343 56.400 -0.079 0.000 0.801 445 E CB 1.299 30.896 29.700 -0.172 0.000 1.313 445 E HN -0.270 nan 8.360 nan 0.000 0.435 446 V N 1.198 121.023 119.914 -0.150 0.000 2.546 446 V HA 0.245 4.365 4.120 -0.000 0.000 0.284 446 V C -0.978 174.993 176.094 -0.205 0.000 1.050 446 V CA -0.066 62.220 62.300 -0.024 0.000 0.981 446 V CB -0.232 31.728 31.823 0.228 0.000 0.990 446 V HN 0.522 nan 8.190 nan 0.000 0.474 447 Y N 3.224 123.629 120.300 0.176 0.000 2.570 447 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 447 Y C 0.300 176.290 175.900 0.150 0.000 1.014 447 Y CA -1.035 57.174 58.100 0.181 0.000 1.063 447 Y CB 2.081 40.682 38.460 0.235 0.000 1.272 447 Y HN 0.437 nan 8.280 nan 0.000 0.477 448 R N 1.236 121.940 120.500 0.340 0.000 2.750 448 R HA 0.551 4.891 4.340 -0.000 0.000 0.281 448 R C -1.364 175.061 176.300 0.209 0.000 0.972 448 R CA -1.013 55.222 56.100 0.225 0.000 0.912 448 R CB 1.898 32.307 30.300 0.183 0.000 1.187 448 R HN 0.543 nan 8.270 nan 0.000 0.464 449 L N 3.296 124.606 121.223 0.145 0.000 2.485 449 L HA 0.164 4.504 4.340 -0.000 0.000 0.275 449 L C -1.799 175.134 176.870 0.105 0.000 1.207 449 L CA -1.561 53.345 54.840 0.111 0.000 0.855 449 L CB 0.075 42.167 42.059 0.056 0.000 1.114 449 L HN 0.267 nan 8.230 nan 0.000 0.485 450 P HA -0.042 nan 4.420 nan 0.000 0.265 450 P C 0.289 177.635 177.300 0.077 0.000 1.187 450 P CA 0.047 63.221 63.100 0.122 0.000 0.766 450 P CB 0.561 32.367 31.700 0.176 0.000 0.820 451 K N 2.592 123.074 120.400 0.136 0.000 2.074 451 K HA -0.261 4.059 4.320 -0.000 0.000 0.209 451 K C 2.005 178.663 176.600 0.097 0.000 1.048 451 K CA 1.584 57.947 56.287 0.127 0.000 0.926 451 K CB -0.330 32.260 32.500 0.151 0.000 0.713 451 K HN 0.666 nan 8.250 nan 0.000 0.444 452 H N 0.180 119.275 119.070 0.041 0.000 2.456 452 H HA -0.123 4.433 4.556 -0.000 0.000 0.296 452 H C 1.890 177.244 175.328 0.044 0.000 1.079 452 H CA 1.354 57.416 56.048 0.023 0.000 1.322 452 H CB -0.395 29.366 29.762 -0.003 0.000 1.388 452 H HN 0.261 nan 8.280 nan 0.000 0.538 453 L N 0.327 121.246 121.223 -0.506 0.000 2.179 453 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 453 L C 2.088 178.890 176.870 -0.115 0.000 1.096 453 L CA 1.262 55.890 54.840 -0.354 0.000 0.779 453 L CB -0.255 41.600 42.059 -0.340 0.000 0.922 453 L HN 0.203 nan 8.230 nan 0.000 0.443 454 D N -0.073 120.290 120.400 -0.063 0.000 2.097 454 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 454 D C 2.082 178.376 176.300 -0.010 0.000 0.984 454 D CA 1.101 55.085 54.000 -0.026 0.000 0.826 454 D CB 0.173 40.969 40.800 -0.007 0.000 0.973 454 D HN 0.277 nan 8.370 nan 0.000 0.460 455 E N 0.477 120.698 120.200 0.036 0.000 2.110 455 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 455 E C 1.939 178.584 176.600 0.076 0.000 0.988 455 E CA 0.617 57.072 56.400 0.091 0.000 0.804 455 E CB -0.000 29.799 29.700 0.166 0.000 0.745 455 E HN 0.176 nan 8.360 nan 0.000 0.458 456 K N 1.210 121.640 120.400 0.050 0.000 2.032 456 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 456 K C 2.157 178.781 176.600 0.040 0.000 1.048 456 K CA 1.247 57.562 56.287 0.046 0.000 0.927 456 K CB -0.109 32.409 32.500 0.029 0.000 0.712 456 K HN 0.002 nan 8.250 nan 0.000 0.441 457 V N 1.456 121.385 119.914 0.025 0.000 2.255 457 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 457 V C 2.564 178.707 176.094 0.082 0.000 1.051 457 V CA 2.118 64.447 62.300 0.047 0.000 1.018 457 V CB -0.913 30.902 31.823 -0.014 0.000 0.641 457 V HN 0.472 nan 8.190 nan 0.000 0.445 458 A N -0.243 122.564 122.820 -0.021 0.000 1.933 458 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 458 A C 2.433 180.041 177.584 0.040 0.000 1.175 458 A CA 2.065 54.064 52.037 -0.064 0.000 0.628 458 A CB -0.593 18.354 19.000 -0.088 0.000 0.814 458 A HN 0.492 nan 8.150 nan 0.000 0.444 459 R N -0.312 120.224 120.500 0.060 0.000 2.092 459 R HA -0.058 4.282 4.340 -0.000 0.000 0.231 459 R C 1.896 178.222 176.300 0.043 0.000 1.119 459 R CA 1.539 57.678 56.100 0.064 0.000 0.970 459 R CB -0.374 29.971 30.300 0.076 0.000 0.864 459 R HN 0.562 nan 8.270 nan 0.000 0.440 460 I N -0.130 120.449 120.570 0.016 0.000 2.179 460 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 460 I C 1.864 177.884 176.117 -0.162 0.000 1.088 460 I CA 1.601 62.843 61.300 -0.097 0.000 1.357 460 I CB -0.318 37.566 38.000 -0.194 0.000 1.051 460 I HN 0.280 nan 8.210 nan 0.000 0.409 461 H N -0.468 118.566 119.070 -0.060 0.000 2.428 461 H HA -0.049 4.506 4.556 -0.000 0.000 0.296 461 H C 2.227 177.632 175.328 0.129 0.000 1.062 461 H CA 1.091 57.134 56.048 -0.008 0.000 1.350 461 H CB -0.366 29.273 29.762 -0.204 0.000 1.403 461 H HN 0.065 nan 8.280 nan 0.000 0.533 462 V N 1.205 121.212 119.914 0.155 0.000 2.295 462 V HA -0.218 3.901 4.120 -0.000 0.000 0.246 462 V C 2.099 178.241 176.094 0.081 0.000 1.049 462 V CA 1.865 64.230 62.300 0.108 0.000 1.024 462 V CB -0.277 31.591 31.823 0.076 0.000 0.648 462 V HN 0.480 nan 8.190 nan 0.000 0.447 463 E N 0.759 120.999 120.200 0.067 0.000 2.153 463 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 463 E C 2.287 178.922 176.600 0.057 0.000 0.988 463 E CA 1.489 57.925 56.400 0.059 0.000 0.811 463 E CB -0.500 29.228 29.700 0.047 0.000 0.746 463 E HN 0.606 nan 8.360 nan 0.000 0.466 464 A N 1.047 123.913 122.820 0.078 0.000 2.014 464 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 464 A C 2.226 179.865 177.584 0.091 0.000 1.163 464 A CA 0.615 52.716 52.037 0.108 0.000 0.652 464 A CB -0.426 18.682 19.000 0.180 0.000 0.808 464 A HN 0.161 nan 8.150 nan 0.000 0.449 465 L N -1.617 119.657 121.223 0.084 0.000 2.554 465 L HA 0.168 4.507 4.340 -0.000 0.000 0.226 465 L C 1.795 178.632 176.870 -0.055 0.000 1.137 465 L CA 0.648 55.471 54.840 -0.029 0.000 0.863 465 L CB -0.001 42.034 42.059 -0.039 0.000 0.985 465 L HN 0.593 nan 8.230 nan 0.000 0.451 466 G N -0.648 108.127 108.800 -0.042 0.000 2.232 466 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.226 466 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.226 466 G C 0.657 175.409 174.900 -0.248 0.000 0.996 466 G CA -0.285 44.754 45.100 -0.101 0.000 0.626 466 G HN 0.482 nan 8.290 nan 0.000 0.509 467 G N -0.170 108.526 108.800 -0.172 0.000 2.491 467 G HA2 0.484 4.444 3.960 -0.000 0.000 0.238 467 G HA3 0.484 4.444 3.960 -0.000 0.000 0.238 467 G C -0.480 174.314 174.900 -0.176 0.000 1.277 467 G CA 0.027 45.002 45.100 -0.209 0.000 0.851 467 G HN 0.638 nan 8.290 nan 0.000 0.573 468 H N 0.908 119.987 119.070 0.015 0.000 2.638 468 H HA 0.311 4.867 4.556 -0.000 0.000 0.317 468 H C 0.086 175.418 175.328 0.008 0.000 1.006 468 H CA -0.860 55.194 56.048 0.011 0.000 1.222 468 H CB 1.490 31.257 29.762 0.008 0.000 1.419 468 H HN 0.229 nan 8.280 nan 0.000 0.489 469 L N 2.758 124.055 121.223 0.125 0.000 2.417 469 L HA 0.185 4.525 4.340 -0.000 0.000 0.268 469 L C 0.458 177.356 176.870 0.046 0.000 1.158 469 L CA -0.225 54.650 54.840 0.057 0.000 0.819 469 L CB 0.866 42.945 42.059 0.034 0.000 1.112 469 L HN 0.632 nan 8.230 nan 0.000 0.458 470 T N 2.206 116.768 114.554 0.014 0.000 2.889 470 T HA 0.202 4.552 4.350 -0.000 0.000 0.291 470 T C -0.085 174.611 174.700 -0.007 0.000 0.995 470 T CA -0.520 61.583 62.100 0.005 0.000 1.092 470 T CB 1.213 70.080 68.868 -0.002 0.000 0.954 470 T HN 0.390 nan 8.240 nan 0.000 0.506 471 K N 2.925 123.330 120.400 0.009 0.000 2.185 471 K HA 0.427 4.747 4.320 -0.000 0.000 0.269 471 K C -0.531 176.086 176.600 0.028 0.000 0.987 471 K CA -0.664 55.639 56.287 0.027 0.000 0.865 471 K CB 0.557 33.076 32.500 0.031 0.000 1.090 471 K HN 0.505 nan 8.250 nan 0.000 0.450 472 L N 4.071 125.324 121.223 0.050 0.000 2.416 472 L HA 0.091 4.430 4.340 -0.000 0.000 0.272 472 L C 0.860 177.759 176.870 0.049 0.000 1.161 472 L CA -0.222 54.651 54.840 0.054 0.000 0.845 472 L CB 0.864 42.981 42.059 0.097 0.000 1.119 472 L HN 0.831 nan 8.230 nan 0.000 0.464 473 T N -0.656 113.918 114.554 0.033 0.000 2.802 473 T HA 0.047 4.397 4.350 -0.000 0.000 0.305 473 T C 1.013 175.736 174.700 0.039 0.000 1.053 473 T CA -0.684 61.432 62.100 0.028 0.000 1.058 473 T CB 1.099 69.975 68.868 0.014 0.000 0.988 473 T HN 0.467 nan 8.240 nan 0.000 0.539 474 K N 0.550 120.969 120.400 0.033 0.000 2.103 474 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 474 K C 2.296 178.923 176.600 0.045 0.000 1.048 474 K CA 1.655 57.964 56.287 0.037 0.000 0.930 474 K CB -0.324 32.192 32.500 0.028 0.000 0.716 474 K HN 0.792 nan 8.250 nan 0.000 0.444 475 E N -0.345 119.878 120.200 0.038 0.000 2.107 475 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 475 E C 2.093 178.738 176.600 0.075 0.000 0.982 475 E CA 0.933 57.362 56.400 0.048 0.000 0.809 475 E CB 0.001 29.715 29.700 0.024 0.000 0.756 475 E HN 0.404 nan 8.360 nan 0.000 0.459 476 Q N 0.196 120.029 119.800 0.055 0.000 2.167 476 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 476 Q C 2.110 178.189 176.000 0.132 0.000 0.970 476 Q CA 1.116 56.966 55.803 0.079 0.000 0.855 476 Q CB -0.021 28.739 28.738 0.038 0.000 0.911 476 Q HN 0.207 nan 8.270 nan 0.000 0.438 477 A N 1.032 123.914 122.820 0.104 0.000 1.930 477 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 477 A C 1.753 179.395 177.584 0.096 0.000 1.175 477 A CA 1.275 53.374 52.037 0.105 0.000 0.627 477 A CB -0.224 18.827 19.000 0.084 0.000 0.815 477 A HN 0.301 nan 8.150 nan 0.000 0.443 478 E N -1.691 118.566 120.200 0.096 0.000 2.072 478 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 478 E C 1.821 178.484 176.600 0.105 0.000 0.982 478 E CA 1.071 57.521 56.400 0.082 0.000 0.803 478 E CB -0.316 29.428 29.700 0.075 0.000 0.755 478 E HN 0.716 nan 8.360 nan 0.000 0.453 479 Y N 1.397 121.708 120.300 0.018 0.000 2.139 479 Y HA -0.248 4.302 4.550 -0.000 0.000 0.282 479 Y C 1.887 177.797 175.900 0.018 0.000 1.179 479 Y CA 1.545 59.655 58.100 0.017 0.000 1.161 479 Y CB -0.039 38.431 38.460 0.017 0.000 0.970 479 Y HN -0.018 nan 8.280 nan 0.000 0.511 480 L N -1.539 119.748 121.223 0.107 0.000 2.375 480 L HA 0.160 4.500 4.340 -0.000 0.000 0.215 480 L C 1.538 178.409 176.870 0.002 0.000 1.108 480 L CA 0.662 55.525 54.840 0.038 0.000 0.830 480 L CB -0.539 41.583 42.059 0.105 0.000 0.959 480 L HN 0.417 nan 8.230 nan 0.000 0.457 481 G N 1.466 110.274 108.800 0.013 0.000 2.256 481 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.272 481 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.272 481 G C -0.057 174.846 174.900 0.005 0.000 1.076 481 G CA 0.315 45.414 45.100 -0.000 0.000 0.882 481 G HN 0.294 nan 8.290 nan 0.000 0.497 482 V N -3.821 116.108 119.914 0.025 0.000 3.040 482 V HA 0.860 4.980 4.120 -0.000 0.000 0.312 482 V C -0.254 175.846 176.094 0.010 0.000 1.115 482 V CA -1.608 60.698 62.300 0.010 0.000 0.998 482 V CB 2.180 34.034 31.823 0.051 0.000 1.042 482 V HN 0.043 nan 8.190 nan 0.000 0.433 483 D N 1.291 121.667 120.400 -0.040 0.000 2.345 483 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 483 D C 1.360 177.666 176.300 0.009 0.000 1.108 483 D CA -0.178 53.804 54.000 -0.030 0.000 0.894 483 D CB 2.055 42.813 40.800 -0.069 0.000 1.203 483 D HN 0.400 nan 8.370 nan 0.000 0.430 484 V N 1.940 121.887 119.914 0.055 0.000 2.527 484 V HA -0.232 3.888 4.120 -0.000 0.000 0.255 484 V C 1.770 177.956 176.094 0.154 0.000 1.081 484 V CA 1.703 64.074 62.300 0.118 0.000 1.092 484 V CB -0.266 31.606 31.823 0.082 0.000 0.673 484 V HN 0.518 nan 8.190 nan 0.000 0.470 485 E N -0.566 119.655 120.200 0.035 0.000 2.474 485 E HA 0.313 4.663 4.350 -0.000 0.000 0.195 485 E C 1.133 177.597 176.600 -0.226 0.000 1.039 485 E CA 0.705 57.111 56.400 0.010 0.000 0.881 485 E CB 0.368 30.069 29.700 0.003 0.000 0.970 485 E HN 0.607 nan 8.360 nan 0.000 0.486 486 G N 2.453 110.934 108.800 -0.532 0.000 2.741 486 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.222 486 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.222 486 G C -2.443 172.202 174.900 -0.425 0.000 1.364 486 G CA -0.901 43.590 45.100 -1.015 0.000 0.866 486 G HN 0.050 nan 8.290 nan 0.000 0.555 487 P HA 0.253 nan 4.420 nan 0.000 0.267 487 P C 0.010 177.056 177.300 -0.423 0.000 1.201 487 P CA 0.423 63.340 63.100 -0.304 0.000 0.775 487 P CB 0.035 31.697 31.700 -0.064 0.000 0.854 488 Y N -0.313 120.006 120.300 0.032 0.000 2.442 488 Y HA 0.208 4.758 4.550 -0.000 0.000 0.250 488 Y C 0.931 176.768 175.900 -0.105 0.000 1.113 488 Y CA 0.418 58.507 58.100 -0.017 0.000 1.273 488 Y CB 0.342 38.803 38.460 0.000 0.000 1.138 488 Y HN 0.056 nan 8.280 nan 0.000 0.522 489 K N 0.909 121.303 120.400 -0.011 0.000 2.385 489 K HA 0.406 4.726 4.320 -0.000 0.000 0.248 489 K C -2.824 173.684 176.600 -0.154 0.000 0.955 489 K CA -2.045 54.102 56.287 -0.233 0.000 0.816 489 K CB 1.364 33.554 32.500 -0.518 0.000 1.250 489 K HN -0.168 nan 8.250 nan 0.000 0.434 490 P HA 0.062 nan 4.420 nan 0.000 0.270 490 P C -0.093 177.052 177.300 -0.259 0.000 1.227 490 P CA 0.081 63.027 63.100 -0.257 0.000 0.788 490 P CB 0.669 32.094 31.700 -0.457 0.000 0.926 491 D N -1.550 118.739 120.400 -0.186 0.000 2.323 491 D HA -0.108 4.532 4.640 -0.000 0.000 0.209 491 D C 1.466 177.782 176.300 0.027 0.000 0.973 491 D CA 0.654 54.646 54.000 -0.013 0.000 0.874 491 D CB -0.191 40.647 40.800 0.063 0.000 0.930 491 D HN 0.558 nan 8.370 nan 0.000 0.521 492 H N -2.423 116.723 119.070 0.126 0.000 2.539 492 H HA 0.081 4.637 4.556 -0.000 0.000 0.267 492 H C 0.027 175.417 175.328 0.104 0.000 0.982 492 H CA -0.358 55.750 56.048 0.101 0.000 1.146 492 H CB -0.885 28.917 29.762 0.067 0.000 1.382 492 H HN 0.081 nan 8.280 nan 0.000 0.577 493 Y N 2.714 122.871 120.300 -0.238 0.000 2.811 493 Y HA -0.042 4.508 4.550 -0.000 0.000 0.334 493 Y C 1.015 176.847 175.900 -0.115 0.000 1.247 493 Y CA 0.177 58.146 58.100 -0.218 0.000 1.526 493 Y CB 0.542 38.757 38.460 -0.408 0.000 1.284 493 Y HN 0.173 nan 8.280 nan 0.000 0.586 494 R N 3.662 123.709 120.500 -0.757 0.000 2.365 494 R HA 0.097 4.437 4.340 -0.000 0.000 0.223 494 R C -0.669 175.491 176.300 -0.234 0.000 0.899 494 R CA -0.168 55.733 56.100 -0.332 0.000 1.059 494 R CB 0.076 30.250 30.300 -0.211 0.000 1.086 494 R HN 0.809 nan 8.270 nan 0.000 0.522 495 Y N 0.000 119.944 120.300 -0.593 0.000 2.660 495 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 495 Y CA 0.000 57.993 58.100 -0.178 0.000 1.940 495 Y CB 0.000 38.501 38.460 0.069 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758