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 3kfe_1_B DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXETASEMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.483 175.510 -0.045 0.000 1.280 11 N CA 0.000 53.031 53.050 -0.032 0.000 0.885 11 N CB 0.000 38.472 38.487 -0.026 0.000 1.341 12 M N 0.258 119.821 119.600 -0.062 0.000 1.778 12 M HA 0.235 4.715 4.480 -0.000 0.000 0.200 12 M C -0.549 175.704 176.300 -0.078 0.000 1.294 12 M CA 0.344 55.609 55.300 -0.057 0.000 0.913 12 M CB 0.909 33.478 32.600 -0.052 0.000 1.645 12 M HN 0.039 nan 8.290 nan 0.000 0.598 13 K N 1.369 121.688 120.400 -0.135 0.000 2.471 13 K HA 0.598 4.918 4.320 -0.000 0.000 0.252 13 K C -1.063 175.312 176.600 -0.375 0.000 0.938 13 K CA -0.444 55.706 56.287 -0.229 0.000 0.796 13 K CB 3.164 35.511 32.500 -0.256 0.000 1.161 13 K HN 0.032 nan 8.250 nan 0.000 0.425 14 R N 2.648 122.919 120.500 -0.382 0.000 2.604 14 R HA 0.370 4.710 4.340 -0.000 0.000 0.281 14 R C -1.668 174.478 176.300 -0.257 0.000 1.020 14 R CA -0.604 55.280 56.100 -0.361 0.000 0.899 14 R CB 0.980 31.194 30.300 -0.144 0.000 1.205 14 R HN 0.416 nan 8.270 nan 0.000 0.450 15 Y N 3.651 123.945 120.300 -0.010 0.000 2.335 15 Y HA 0.460 5.010 4.550 -0.000 0.000 0.338 15 Y C 0.064 175.963 175.900 -0.002 0.000 0.977 15 Y CA -1.248 56.849 58.100 -0.005 0.000 1.114 15 Y CB 1.853 40.312 38.460 -0.001 0.000 1.182 15 Y HN 0.309 nan 8.280 nan 0.000 0.463 16 M N 2.306 122.003 119.600 0.162 0.000 2.238 16 M HA 0.388 4.868 4.480 -0.000 0.000 0.350 16 M C 1.096 177.429 176.300 0.055 0.000 1.138 16 M CA -0.121 55.226 55.300 0.080 0.000 1.040 16 M CB 0.952 33.585 32.600 0.055 0.000 1.639 16 M HN 0.925 nan 8.290 nan 0.000 0.451 17 G N 4.288 113.109 108.800 0.035 0.000 2.690 17 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.334 17 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.334 17 G C 0.979 175.882 174.900 0.005 0.000 1.250 17 G CA 1.009 46.114 45.100 0.010 0.000 0.994 17 G HN 0.718 nan 8.290 nan 0.000 0.549 18 R N 0.788 121.284 120.500 -0.006 0.000 2.241 18 R HA 0.094 4.434 4.340 -0.000 0.000 0.224 18 R C 2.084 178.377 176.300 -0.011 0.000 1.101 18 R CA 1.368 57.459 56.100 -0.014 0.000 0.995 18 R CB -0.234 30.055 30.300 -0.019 0.000 0.870 18 R HN 0.491 nan 8.270 nan 0.000 0.463 19 D N 0.145 120.544 120.400 -0.002 0.000 2.137 19 D HA 0.009 4.649 4.640 -0.000 0.000 0.202 19 D C 1.796 178.094 176.300 -0.003 0.000 0.970 19 D CA 1.374 55.361 54.000 -0.023 0.000 0.837 19 D CB -0.114 40.675 40.800 -0.020 0.000 0.981 19 D HN 0.204 nan 8.370 nan 0.000 0.475 20 A N 0.445 123.305 122.820 0.067 0.000 1.930 20 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 20 A C 2.107 179.736 177.584 0.075 0.000 1.175 20 A CA 1.290 53.399 52.037 0.120 0.000 0.627 20 A CB -0.480 18.597 19.000 0.129 0.000 0.815 20 A HN 0.177 nan 8.150 nan 0.000 0.443 21 Q N -1.067 118.754 119.800 0.036 0.000 2.046 21 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 21 Q C 2.356 178.362 176.000 0.010 0.000 0.975 21 Q CA 1.630 57.445 55.803 0.019 0.000 0.836 21 Q CB -0.146 28.590 28.738 -0.003 0.000 0.896 21 Q HN 0.673 nan 8.270 nan 0.000 0.428 22 R N -0.031 120.466 120.500 -0.004 0.000 2.096 22 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 22 R C 2.071 178.363 176.300 -0.014 0.000 1.127 22 R CA 1.346 57.435 56.100 -0.017 0.000 0.968 22 R CB -0.089 30.192 30.300 -0.031 0.000 0.861 22 R HN 0.169 nan 8.270 nan 0.000 0.440 23 M N 0.983 120.582 119.600 -0.001 0.000 2.065 23 M HA -0.155 4.325 4.480 -0.000 0.000 0.259 23 M C 1.414 177.756 176.300 0.071 0.000 1.069 23 M CA 1.831 57.157 55.300 0.044 0.000 1.110 23 M CB -0.280 32.367 32.600 0.080 0.000 1.328 23 M HN 0.184 nan 8.290 nan 0.000 0.405 24 N N -0.189 118.552 118.700 0.068 0.000 2.171 24 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 24 N C 1.848 177.333 175.510 -0.041 0.000 1.021 24 N CA 1.526 54.587 53.050 0.018 0.000 0.854 24 N CB -0.419 38.103 38.487 0.060 0.000 0.994 24 N HN 0.419 nan 8.380 nan 0.000 0.426 25 I N 0.830 121.390 120.570 -0.017 0.000 2.361 25 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 25 I C 2.234 178.326 176.117 -0.042 0.000 1.133 25 I CA 0.710 61.996 61.300 -0.022 0.000 1.413 25 I CB -0.112 37.883 38.000 -0.009 0.000 1.073 25 I HN 0.073 nan 8.210 nan 0.000 0.424 26 L N 0.783 121.978 121.223 -0.048 0.000 2.068 26 L HA -0.041 4.298 4.340 -0.000 0.000 0.204 26 L C 2.713 179.526 176.870 -0.094 0.000 1.076 26 L CA 1.428 56.235 54.840 -0.055 0.000 0.753 26 L CB -0.317 41.718 42.059 -0.040 0.000 0.910 26 L HN 0.134 nan 8.230 nan 0.000 0.439 27 A N -0.227 122.492 122.820 -0.167 0.000 1.978 27 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 27 A C 2.238 179.690 177.584 -0.220 0.000 1.170 27 A CA 1.696 53.543 52.037 -0.316 0.000 0.636 27 A CB -1.480 16.989 19.000 -0.885 0.000 0.810 27 A HN 0.556 nan 8.150 nan 0.000 0.448 28 G N -0.487 108.219 108.800 -0.157 0.000 2.414 28 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.215 28 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.215 28 G C 1.671 176.526 174.900 -0.074 0.000 1.188 28 G CA 0.730 45.771 45.100 -0.099 0.000 0.783 28 G HN 0.566 nan 8.290 nan 0.000 0.537 29 R N -0.230 120.232 120.500 -0.063 0.000 2.200 29 R HA 0.047 4.387 4.340 -0.000 0.000 0.234 29 R C 2.365 178.636 176.300 -0.048 0.000 1.127 29 R CA 0.705 56.776 56.100 -0.049 0.000 0.989 29 R CB -0.286 29.990 30.300 -0.040 0.000 0.869 29 R HN 0.399 nan 8.270 nan 0.000 0.459 30 I N 0.729 121.265 120.570 -0.057 0.000 2.480 30 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 30 I C 2.250 178.342 176.117 -0.041 0.000 1.124 30 I CA 0.826 62.098 61.300 -0.047 0.000 1.444 30 I CB -0.001 37.970 38.000 -0.049 0.000 1.098 30 I HN 0.137 nan 8.210 nan 0.000 0.428 31 I N -1.348 119.193 120.570 -0.048 0.000 2.928 31 I HA -0.010 4.159 4.170 -0.000 0.000 0.266 31 I C 2.459 178.555 176.117 -0.035 0.000 1.234 31 I CA 1.010 62.288 61.300 -0.037 0.000 1.483 31 I CB -0.632 37.346 38.000 -0.036 0.000 1.097 31 I HN 0.012 nan 8.210 nan 0.000 0.455 32 A N 1.977 124.773 122.820 -0.040 0.000 1.854 32 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 32 A C 2.161 179.725 177.584 -0.035 0.000 1.192 32 A CA 1.524 53.537 52.037 -0.039 0.000 0.611 32 A CB -0.694 18.279 19.000 -0.045 0.000 0.832 32 A HN 0.506 nan 8.150 nan 0.000 0.442 33 E N -0.857 119.323 120.200 -0.033 0.000 2.463 33 E HA -0.083 4.267 4.350 -0.000 0.000 0.201 33 E C 1.456 178.042 176.600 -0.024 0.000 1.045 33 E CA 1.046 57.429 56.400 -0.029 0.000 0.872 33 E CB -0.152 29.532 29.700 -0.027 0.000 0.797 33 E HN 0.522 nan 8.360 nan 0.000 0.538 34 T N -0.583 113.957 114.554 -0.024 0.000 3.067 34 T HA -0.040 4.310 4.350 -0.000 0.000 0.261 34 T C 1.550 176.239 174.700 -0.019 0.000 1.110 34 T CA 0.972 63.060 62.100 -0.020 0.000 1.113 34 T CB 0.377 69.234 68.868 -0.018 0.000 0.917 34 T HN 0.179 nan 8.240 nan 0.000 0.499 35 V N -2.192 117.709 119.914 -0.021 0.000 3.502 35 V HA 0.414 4.534 4.120 -0.000 0.000 0.288 35 V C 1.884 177.965 176.094 -0.022 0.000 1.461 35 V CA -0.231 62.057 62.300 -0.020 0.000 1.029 35 V CB -0.333 31.478 31.823 -0.020 0.000 0.843 35 V HN 0.103 nan 8.190 nan 0.000 0.438 36 R N 2.260 122.745 120.500 -0.025 0.000 2.185 36 R HA -0.169 4.170 4.340 -0.000 0.000 0.247 36 R C 2.378 178.664 176.300 -0.023 0.000 1.159 36 R CA 2.024 58.108 56.100 -0.027 0.000 0.988 36 R CB -0.290 29.994 30.300 -0.028 0.000 0.871 36 R HN 0.806 nan 8.270 nan 0.000 0.458 37 S N -1.033 114.655 115.700 -0.019 0.000 2.562 37 S HA -0.053 4.417 4.470 -0.000 0.000 0.221 37 S C 1.666 176.259 174.600 -0.013 0.000 0.975 37 S CA 0.943 59.134 58.200 -0.016 0.000 0.918 37 S CB 0.251 63.444 63.200 -0.013 0.000 0.772 37 S HN 0.394 nan 8.310 nan 0.000 0.531 38 T N -0.666 113.880 114.554 -0.014 0.000 3.086 38 T HA 0.344 4.694 4.350 -0.000 0.000 0.250 38 T C 0.352 175.045 174.700 -0.012 0.000 1.074 38 T CA -0.457 61.637 62.100 -0.010 0.000 0.988 38 T CB -0.497 68.365 68.868 -0.009 0.000 0.988 38 T HN 0.348 nan 8.240 nan 0.000 0.530 39 L N 2.394 123.606 121.223 -0.019 0.000 2.361 39 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 39 L C 0.781 177.634 176.870 -0.028 0.000 1.113 39 L CA 1.242 56.067 54.840 -0.024 0.000 0.849 39 L CB -0.323 41.718 42.059 -0.031 0.000 1.155 39 L HN 0.672 nan 8.230 nan 0.000 0.452 40 G N 4.120 112.904 108.800 -0.027 0.000 2.661 40 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.685 40 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.685 40 G C -2.587 172.304 174.900 -0.016 0.000 1.298 40 G CA -0.456 44.621 45.100 -0.039 0.000 0.855 40 G HN 0.452 nan 8.290 nan 0.000 0.560 41 P HA 0.070 nan 4.420 nan 0.000 0.218 41 P C 1.301 178.645 177.300 0.074 0.000 1.152 41 P CA 1.153 64.289 63.100 0.060 0.000 0.826 41 P CB 0.147 31.919 31.700 0.120 0.000 0.790 42 K N 0.286 120.701 120.400 0.023 0.000 2.627 42 K HA 0.252 4.571 4.320 -0.000 0.000 0.212 42 K C 0.964 177.573 176.600 0.014 0.000 1.041 42 K CA 0.054 56.363 56.287 0.037 0.000 1.205 42 K CB -0.395 32.113 32.500 0.013 0.000 0.936 42 K HN 0.107 nan 8.250 nan 0.000 0.489 43 G N 0.458 109.264 108.800 0.011 0.000 2.437 43 G HA2 0.475 4.434 3.960 -0.000 0.000 0.319 43 G HA3 0.475 4.434 3.960 -0.000 0.000 0.319 43 G C -0.088 174.818 174.900 0.009 0.000 1.158 43 G CA -0.547 44.555 45.100 0.003 0.000 0.899 43 G HN -0.053 nan 8.290 nan 0.000 0.502 44 M N 0.428 120.030 119.600 0.003 0.000 2.573 44 M HA 0.379 4.858 4.480 -0.000 0.000 0.309 44 M C -0.885 175.415 176.300 0.000 0.000 1.202 44 M CA -0.683 54.619 55.300 0.004 0.000 0.975 44 M CB 1.796 34.397 32.600 0.000 0.000 1.600 44 M HN 0.349 nan 8.290 nan 0.000 0.479 45 D N 1.275 121.675 120.400 -0.001 0.000 2.229 45 D HA 0.362 5.002 4.640 -0.000 0.000 0.249 45 D C -0.368 175.926 176.300 -0.010 0.000 1.027 45 D CA -0.219 53.778 54.000 -0.004 0.000 0.923 45 D CB 1.169 41.967 40.800 -0.003 0.000 1.174 45 D HN 0.127 nan 8.370 nan 0.000 0.443 46 K N 1.428 121.820 120.400 -0.013 0.000 2.213 46 K HA 0.326 4.646 4.320 -0.000 0.000 0.270 46 K C -0.184 176.401 176.600 -0.026 0.000 1.002 46 K CA -0.514 55.763 56.287 -0.017 0.000 0.868 46 K CB 1.970 34.461 32.500 -0.015 0.000 1.093 46 K HN 0.475 nan 8.250 nan 0.000 0.454 47 M N 4.253 123.833 119.600 -0.032 0.000 2.233 47 M HA 0.299 4.779 4.480 -0.000 0.000 0.355 47 M C -1.213 175.061 176.300 -0.043 0.000 1.191 47 M CA -0.469 54.801 55.300 -0.049 0.000 1.101 47 M CB 0.563 33.129 32.600 -0.058 0.000 1.592 47 M HN 0.593 nan 8.290 nan 0.000 0.461 48 L N 6.382 127.574 121.223 -0.051 0.000 2.490 48 L HA 0.419 4.759 4.340 -0.000 0.000 0.256 48 L C -1.111 175.738 176.870 -0.034 0.000 1.089 48 L CA -0.629 54.191 54.840 -0.034 0.000 0.916 48 L CB 1.381 43.425 42.059 -0.025 0.000 1.188 48 L HN 0.602 nan 8.230 nan 0.000 0.476 49 V N 1.621 121.517 119.914 -0.031 0.000 3.319 49 V HA 0.203 4.323 4.120 -0.000 0.000 0.303 49 V C 0.297 176.385 176.094 -0.011 0.000 1.094 49 V CA -0.125 62.161 62.300 -0.023 0.000 1.106 49 V CB 1.146 32.957 31.823 -0.019 0.000 1.099 49 V HN 0.809 nan 8.190 nan 0.000 0.476 50 D N 0.723 121.121 120.400 -0.004 0.000 2.574 50 D HA 0.188 4.828 4.640 -0.000 0.000 0.210 50 D C 0.399 176.700 176.300 0.002 0.000 1.277 50 D CA 0.241 54.241 54.000 0.001 0.000 1.121 50 D CB -0.179 40.623 40.800 0.004 0.000 1.192 50 D HN 0.514 nan 8.370 nan 0.000 0.602 51 D N -1.367 119.035 120.400 0.004 0.000 2.369 51 D HA 0.098 4.738 4.640 -0.000 0.000 0.211 51 D C 0.929 177.232 176.300 0.006 0.000 1.077 51 D CA -0.013 53.989 54.000 0.004 0.000 0.842 51 D CB -0.175 40.627 40.800 0.005 0.000 0.947 51 D HN 0.265 nan 8.370 nan 0.000 0.509 52 L N -0.092 121.135 121.223 0.007 0.000 3.066 52 L HA 0.411 4.751 4.340 -0.000 0.000 0.265 52 L C 1.435 178.312 176.870 0.011 0.000 1.232 52 L CA 0.026 54.872 54.840 0.009 0.000 1.031 52 L CB 0.452 42.518 42.059 0.012 0.000 1.379 52 L HN 0.240 nan 8.230 nan 0.000 0.563 53 G N -0.353 108.452 108.800 0.008 0.000 2.205 53 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.269 53 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.269 53 G C 0.114 175.022 174.900 0.013 0.000 0.977 53 G CA 0.455 45.560 45.100 0.009 0.000 0.652 53 G HN 0.401 nan 8.290 nan 0.000 0.539 54 D N 0.152 120.562 120.400 0.017 0.000 2.363 54 D HA 0.407 5.046 4.640 -0.000 0.000 0.263 54 D C 0.546 176.852 176.300 0.011 0.000 1.258 54 D CA 0.178 54.196 54.000 0.029 0.000 0.907 54 D CB 1.490 42.309 40.800 0.031 0.000 1.107 54 D HN 0.327 nan 8.370 nan 0.000 0.495 55 V N 3.556 123.469 119.914 -0.002 0.000 2.716 55 V HA 0.644 4.764 4.120 -0.000 0.000 0.304 55 V C -0.724 175.288 176.094 -0.138 0.000 1.053 55 V CA -0.428 61.815 62.300 -0.096 0.000 0.984 55 V CB 1.962 33.684 31.823 -0.169 0.000 1.021 55 V HN 0.230 nan 8.190 nan 0.000 0.467 56 V N 5.998 125.825 119.914 -0.145 0.000 2.653 56 V HA 0.461 4.581 4.120 -0.000 0.000 0.298 56 V C -0.890 175.142 176.094 -0.102 0.000 1.097 56 V CA -0.293 61.938 62.300 -0.115 0.000 0.908 56 V CB 2.223 34.047 31.823 0.000 0.000 1.024 56 V HN 0.818 nan 8.190 nan 0.000 0.435 57 V N 5.614 125.458 119.914 -0.117 0.000 2.427 57 V HA 0.867 4.987 4.120 -0.000 0.000 0.286 57 V C 0.200 176.282 176.094 -0.019 0.000 1.034 57 V CA 0.066 62.323 62.300 -0.071 0.000 0.893 57 V CB 1.651 33.426 31.823 -0.080 0.000 0.982 57 V HN 0.995 nan 8.190 nan 0.000 0.452 58 T N 2.512 117.058 114.554 -0.013 0.000 2.786 58 T HA 0.260 4.610 4.350 -0.000 0.000 0.316 58 T C -0.015 174.684 174.700 -0.002 0.000 1.503 58 T CA -0.435 61.665 62.100 0.000 0.000 1.019 58 T CB 1.815 70.685 68.868 0.004 0.000 1.415 58 T HN 0.673 nan 8.240 nan 0.000 0.496 59 N N 1.294 119.996 118.700 0.003 0.000 2.181 59 N HA 0.052 4.792 4.740 -0.000 0.000 0.207 59 N C -0.283 175.228 175.510 0.000 0.000 1.182 59 N CA -0.114 52.937 53.050 0.002 0.000 0.893 59 N CB 0.512 39.002 38.487 0.006 0.000 1.032 59 N HN 0.740 nan 8.380 nan 0.000 0.513 60 D N 0.394 120.796 120.400 0.002 0.000 2.358 60 D HA 0.057 4.697 4.640 -0.000 0.000 0.258 60 D C 1.209 177.507 176.300 -0.003 0.000 1.223 60 D CA 0.038 54.038 54.000 0.001 0.000 0.886 60 D CB 1.252 42.054 40.800 0.004 0.000 1.120 60 D HN 0.319 nan 8.370 nan 0.000 0.482 61 G N 3.509 112.306 108.800 -0.006 0.000 2.631 61 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 61 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 61 G C 1.499 176.395 174.900 -0.007 0.000 1.214 61 G CA 0.938 46.033 45.100 -0.009 0.000 0.785 61 G HN 0.504 nan 8.290 nan 0.000 0.596 62 V N 1.517 121.427 119.914 -0.006 0.000 2.295 62 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 62 V C 3.355 179.448 176.094 -0.002 0.000 1.049 62 V CA 3.559 65.856 62.300 -0.004 0.000 1.024 62 V CB -0.946 30.875 31.823 -0.003 0.000 0.648 62 V HN 0.698 nan 8.190 nan 0.000 0.447 63 T N -1.319 113.235 114.554 -0.000 0.000 2.684 63 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 63 T C 1.864 176.564 174.700 0.000 0.000 1.036 63 T CA 2.119 64.220 62.100 0.002 0.000 1.148 63 T CB -0.784 68.087 68.868 0.005 0.000 0.863 63 T HN 0.479 nan 8.240 nan 0.000 0.436 64 I N 1.236 121.805 120.570 -0.002 0.000 2.091 64 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 64 I C 2.746 178.861 176.117 -0.004 0.000 1.046 64 I CA 1.861 63.158 61.300 -0.005 0.000 1.306 64 I CB -0.523 37.473 38.000 -0.007 0.000 1.018 64 I HN 0.254 nan 8.210 nan 0.000 0.404 65 L N -0.213 121.007 121.223 -0.005 0.000 1.976 65 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 65 L C 2.822 179.692 176.870 -0.000 0.000 1.071 65 L CA 1.425 56.263 54.840 -0.004 0.000 0.746 65 L CB -0.650 41.406 42.059 -0.006 0.000 0.890 65 L HN 0.167 nan 8.230 nan 0.000 0.432 66 R N 0.383 120.883 120.500 0.001 0.000 2.154 66 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 66 R C 1.277 177.579 176.300 0.004 0.000 1.121 66 R CA 1.815 57.917 56.100 0.003 0.000 0.915 66 R CB -0.427 29.875 30.300 0.003 0.000 0.856 66 R HN 0.437 nan 8.270 nan 0.000 0.431 67 E N 1.148 121.350 120.200 0.004 0.000 2.424 67 E HA 0.036 4.386 4.350 -0.000 0.000 0.237 67 E C 0.036 176.638 176.600 0.003 0.000 1.381 67 E CA -0.066 56.336 56.400 0.004 0.000 1.587 67 E CB -0.108 29.595 29.700 0.005 0.000 1.398 67 E HN 0.322 nan 8.360 nan 0.000 0.439 68 M N -2.297 117.305 119.600 0.003 0.000 2.518 68 M HA 0.434 4.914 4.480 -0.000 0.000 0.300 68 M C -0.731 175.574 176.300 0.008 0.000 1.175 68 M CA -0.775 54.527 55.300 0.004 0.000 0.890 68 M CB 2.143 34.744 32.600 0.001 0.000 1.710 68 M HN -0.337 nan 8.290 nan 0.000 0.453 69 S N 2.424 118.130 115.700 0.009 0.000 3.065 69 S HA 0.307 4.777 4.470 -0.000 0.000 0.311 69 S C -0.232 174.380 174.600 0.020 0.000 1.204 69 S CA -0.522 57.686 58.200 0.014 0.000 1.040 69 S CB -0.737 62.470 63.200 0.012 0.000 1.436 69 S HN 0.456 nan 8.310 nan 0.000 0.532 70 V N 3.812 123.740 119.914 0.022 0.000 2.407 70 V HA 0.276 4.396 4.120 -0.000 0.000 0.278 70 V C 0.814 176.936 176.094 0.047 0.000 1.037 70 V CA -0.240 62.080 62.300 0.033 0.000 0.900 70 V CB 1.553 33.392 31.823 0.026 0.000 0.983 70 V HN 0.617 nan 8.190 nan 0.000 0.459 71 E N 1.333 121.575 120.200 0.069 0.000 2.306 71 E HA 0.085 4.435 4.350 -0.000 0.000 0.201 71 E C 0.774 177.440 176.600 0.109 0.000 0.874 71 E CA 0.078 56.519 56.400 0.069 0.000 0.972 71 E CB -0.082 29.647 29.700 0.048 0.000 0.957 71 E HN 0.715 nan 8.360 nan 0.000 0.492 72 H N 3.793 122.875 119.070 0.021 0.000 3.094 72 H HA -0.023 4.533 4.556 -0.000 0.000 0.320 72 H C -1.560 173.783 175.328 0.026 0.000 1.000 72 H CA -0.977 55.089 56.048 0.030 0.000 1.413 72 H CB 1.089 30.869 29.762 0.030 0.000 1.405 72 H HN -0.075 nan 8.280 nan 0.000 0.586 73 P HA -0.156 nan 4.420 nan 0.000 0.216 73 P C 1.178 178.620 177.300 0.237 0.000 1.153 73 P CA 1.795 65.025 63.100 0.216 0.000 0.848 73 P CB 0.052 31.819 31.700 0.112 0.000 0.787 74 A N 1.256 124.291 122.820 0.358 0.000 1.849 74 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 74 A C 2.611 180.185 177.584 -0.017 0.000 1.202 74 A CA 2.860 54.944 52.037 0.078 0.000 0.629 74 A CB -1.755 17.206 19.000 -0.064 0.000 0.834 74 A HN 0.228 nan 8.150 nan 0.000 0.447 75 A N -0.526 122.226 122.820 -0.113 0.000 1.917 75 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 75 A C 2.051 179.632 177.584 -0.004 0.000 1.182 75 A CA 2.140 54.133 52.037 -0.073 0.000 0.633 75 A CB -0.597 18.349 19.000 -0.089 0.000 0.819 75 A HN 0.579 nan 8.150 nan 0.000 0.448 76 K N -1.288 119.135 120.400 0.039 0.000 2.293 76 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 76 K C 1.639 178.253 176.600 0.024 0.000 1.045 76 K CA 1.793 58.103 56.287 0.038 0.000 0.933 76 K CB -0.242 32.290 32.500 0.054 0.000 0.736 76 K HN 0.606 nan 8.250 nan 0.000 0.463 77 M N -0.773 118.839 119.600 0.021 0.000 2.414 77 M HA 0.014 4.494 4.480 -0.000 0.000 0.251 77 M C 1.086 177.389 176.300 0.005 0.000 1.116 77 M CA 0.174 55.484 55.300 0.016 0.000 1.056 77 M CB 0.379 32.994 32.600 0.025 0.000 1.388 77 M HN 0.005 nan 8.290 nan 0.000 0.487 78 L N 0.501 121.720 121.223 -0.006 0.000 2.313 78 L HA 0.045 4.384 4.340 -0.000 0.000 0.214 78 L C 1.977 178.841 176.870 -0.010 0.000 1.119 78 L CA 1.345 56.177 54.840 -0.013 0.000 0.809 78 L CB -0.378 41.665 42.059 -0.027 0.000 0.933 78 L HN 0.258 nan 8.230 nan 0.000 0.449 79 I N -1.101 119.466 120.570 -0.005 0.000 2.830 79 I HA -0.157 4.013 4.170 -0.000 0.000 0.263 79 I C 2.065 178.182 176.117 -0.000 0.000 1.230 79 I CA 0.373 61.671 61.300 -0.003 0.000 1.480 79 I CB -0.180 37.821 38.000 0.001 0.000 1.095 79 I HN 0.269 nan 8.210 nan 0.000 0.455 80 E N 0.821 121.022 120.200 0.003 0.000 2.051 80 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 80 E C 2.456 179.057 176.600 0.001 0.000 0.991 80 E CA 1.170 57.573 56.400 0.004 0.000 0.799 80 E CB -0.353 29.352 29.700 0.008 0.000 0.748 80 E HN 0.306 nan 8.360 nan 0.000 0.449 81 V N 1.783 121.696 119.914 -0.002 0.000 2.287 81 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 81 V C 2.482 178.571 176.094 -0.007 0.000 1.053 81 V CA 2.007 64.305 62.300 -0.005 0.000 1.027 81 V CB -0.904 30.912 31.823 -0.011 0.000 0.646 81 V HN 0.267 nan 8.190 nan 0.000 0.447 82 A N -0.856 121.959 122.820 -0.009 0.000 1.969 82 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 82 A C 2.321 179.902 177.584 -0.006 0.000 1.169 82 A CA 1.871 53.902 52.037 -0.009 0.000 0.635 82 A CB -0.421 18.572 19.000 -0.010 0.000 0.810 82 A HN 0.506 nan 8.150 nan 0.000 0.445 83 K N -0.660 119.738 120.400 -0.003 0.000 2.288 83 K HA -0.086 4.234 4.320 -0.000 0.000 0.201 83 K C 1.875 178.474 176.600 -0.001 0.000 1.048 83 K CA 1.548 57.834 56.287 -0.001 0.000 0.956 83 K CB -0.037 32.464 32.500 0.001 0.000 0.746 83 K HN 0.664 nan 8.250 nan 0.000 0.461 84 T N -2.683 111.870 114.554 -0.001 0.000 3.014 84 T HA -0.017 4.333 4.350 -0.000 0.000 0.250 84 T C 1.659 176.358 174.700 -0.002 0.000 1.060 84 T CA 0.048 62.147 62.100 -0.001 0.000 1.040 84 T CB 0.317 69.186 68.868 0.001 0.000 0.971 84 T HN 0.039 nan 8.240 nan 0.000 0.497 85 Q N 2.501 122.299 119.800 -0.004 0.000 2.016 85 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 85 Q C 2.214 178.211 176.000 -0.005 0.000 0.978 85 Q CA 2.403 58.203 55.803 -0.005 0.000 0.833 85 Q CB -0.447 28.286 28.738 -0.009 0.000 0.895 85 Q HN 0.833 nan 8.270 nan 0.000 0.427 86 E N -0.364 119.833 120.200 -0.004 0.000 2.118 86 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 86 E C 1.813 178.411 176.600 -0.003 0.000 0.992 86 E CA 1.572 57.970 56.400 -0.004 0.000 0.804 86 E CB -0.219 29.480 29.700 -0.003 0.000 0.741 86 E HN 0.163 nan 8.360 nan 0.000 0.458 87 K N 0.411 120.810 120.400 -0.002 0.000 2.097 87 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 87 K C 1.578 178.177 176.600 -0.002 0.000 1.050 87 K CA 1.405 57.691 56.287 -0.002 0.000 0.938 87 K CB 0.308 32.808 32.500 -0.001 0.000 0.718 87 K HN 0.126 nan 8.250 nan 0.000 0.442 88 E N -0.838 119.361 120.200 -0.002 0.000 2.498 88 E HA 0.097 4.447 4.350 -0.000 0.000 0.203 88 E C 0.629 177.227 176.600 -0.003 0.000 1.013 88 E CA 0.173 56.571 56.400 -0.002 0.000 0.927 88 E CB 1.053 30.752 29.700 -0.002 0.000 1.012 88 E HN 0.089 nan 8.360 nan 0.000 0.482 89 V N -1.892 118.020 119.914 -0.003 0.000 4.763 89 V HA 0.423 4.543 4.120 -0.000 0.000 0.146 89 V C 1.312 177.404 176.094 -0.004 0.000 1.198 89 V CA 0.409 62.706 62.300 -0.004 0.000 1.220 89 V CB 0.714 32.534 31.823 -0.004 0.000 1.571 89 V HN 0.215 nan 8.190 nan 0.000 0.595 90 G N 0.046 108.843 108.800 -0.004 0.000 3.134 90 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.195 90 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.195 90 G C -0.342 174.556 174.900 -0.003 0.000 1.054 90 G CA 0.346 45.445 45.100 -0.003 0.000 0.828 90 G HN 0.539 nan 8.290 nan 0.000 0.462 91 D N -0.291 120.107 120.400 -0.003 0.000 2.392 91 D HA 0.549 5.189 4.640 -0.000 0.000 0.246 91 D C 1.131 177.427 176.300 -0.007 0.000 1.013 91 D CA 0.897 54.894 54.000 -0.004 0.000 0.993 91 D CB 1.116 41.915 40.800 -0.002 0.000 1.219 91 D HN 1.373 nan 8.370 nan 0.000 0.538 92 G N 0.252 109.046 108.800 -0.009 0.000 2.198 92 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 92 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 92 G C 0.893 175.784 174.900 -0.015 0.000 1.042 92 G CA 1.196 46.288 45.100 -0.013 0.000 0.791 92 G HN 0.634 nan 8.290 nan 0.000 0.502 93 T N -3.879 110.667 114.554 -0.013 0.000 2.851 93 T HA -0.033 4.317 4.350 -0.000 0.000 0.262 93 T C 2.243 176.932 174.700 -0.018 0.000 1.043 93 T CA 2.150 64.242 62.100 -0.014 0.000 1.140 93 T CB -0.360 68.502 68.868 -0.010 0.000 0.872 93 T HN 0.249 nan 8.240 nan 0.000 0.446 94 T N 2.908 117.451 114.554 -0.018 0.000 2.684 94 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 94 T C 2.426 177.108 174.700 -0.030 0.000 1.036 94 T CA 2.230 64.317 62.100 -0.023 0.000 1.148 94 T CB -1.009 67.847 68.868 -0.021 0.000 0.863 94 T HN 0.812 nan 8.240 nan 0.000 0.436 95 T N 0.792 115.327 114.554 -0.031 0.000 2.867 95 T HA 0.094 4.444 4.350 -0.000 0.000 0.268 95 T C 2.221 176.893 174.700 -0.046 0.000 1.057 95 T CA 1.016 63.092 62.100 -0.040 0.000 1.136 95 T CB -0.482 68.363 68.868 -0.038 0.000 0.874 95 T HN 0.343 nan 8.240 nan 0.000 0.466 96 A N 1.027 123.824 122.820 -0.038 0.000 1.898 96 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 96 A C 2.607 180.163 177.584 -0.047 0.000 1.181 96 A CA 1.324 53.337 52.037 -0.041 0.000 0.620 96 A CB -0.995 17.988 19.000 -0.028 0.000 0.819 96 A HN 0.394 nan 8.150 nan 0.000 0.442 97 V N -0.428 119.462 119.914 -0.040 0.000 2.358 97 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 97 V C 2.598 178.661 176.094 -0.051 0.000 1.047 97 V CA 1.859 64.135 62.300 -0.040 0.000 1.035 97 V CB -0.529 31.275 31.823 -0.032 0.000 0.658 97 V HN 0.365 nan 8.190 nan 0.000 0.452 98 V N -0.357 119.525 119.914 -0.052 0.000 2.287 98 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 98 V C 2.427 178.473 176.094 -0.079 0.000 1.053 98 V CA 2.046 64.311 62.300 -0.059 0.000 1.027 98 V CB -0.466 31.324 31.823 -0.054 0.000 0.646 98 V HN 0.396 nan 8.190 nan 0.000 0.447 99 V N 0.239 120.095 119.914 -0.096 0.000 2.343 99 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 99 V C 2.709 178.709 176.094 -0.158 0.000 1.051 99 V CA 2.025 64.239 62.300 -0.142 0.000 1.036 99 V CB -1.110 30.617 31.823 -0.159 0.000 0.654 99 V HN 0.576 nan 8.190 nan 0.000 0.451 100 A N 0.279 123.027 122.820 -0.119 0.000 1.978 100 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 100 A C 2.363 179.899 177.584 -0.081 0.000 1.170 100 A CA 2.017 53.994 52.037 -0.099 0.000 0.636 100 A CB -1.042 17.921 19.000 -0.062 0.000 0.810 100 A HN 0.551 nan 8.150 nan 0.000 0.448 101 G N -0.745 108.011 108.800 -0.074 0.000 2.394 101 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.214 101 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.214 101 G C 1.412 176.274 174.900 -0.063 0.000 1.176 101 G CA 1.059 46.124 45.100 -0.059 0.000 0.786 101 G HN 0.547 nan 8.290 nan 0.000 0.533 102 E N 0.013 120.161 120.200 -0.087 0.000 2.338 102 E HA 0.078 4.428 4.350 -0.000 0.000 0.197 102 E C 2.341 178.877 176.600 -0.106 0.000 1.007 102 E CA 0.311 56.657 56.400 -0.091 0.000 0.849 102 E CB -0.225 29.410 29.700 -0.108 0.000 0.774 102 E HN 0.466 nan 8.360 nan 0.000 0.506 103 L N -0.521 120.616 121.223 -0.142 0.000 2.162 103 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 103 L C 2.158 179.069 176.870 0.067 0.000 1.086 103 L CA 0.521 55.276 54.840 -0.142 0.000 0.778 103 L CB -0.230 41.634 42.059 -0.325 0.000 0.928 103 L HN 0.193 nan 8.230 nan 0.000 0.446 104 L N -0.434 120.810 121.223 0.034 0.000 2.083 104 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 104 L C 2.799 179.689 176.870 0.033 0.000 1.083 104 L CA 1.155 56.026 54.840 0.051 0.000 0.752 104 L CB -0.510 41.557 42.059 0.012 0.000 0.899 104 L HN 0.269 nan 8.230 nan 0.000 0.433 105 R N 0.492 120.997 120.500 0.008 0.000 2.070 105 R HA -0.154 4.186 4.340 -0.000 0.000 0.233 105 R C 2.269 178.583 176.300 0.023 0.000 1.137 105 R CA 1.299 57.401 56.100 0.003 0.000 0.945 105 R CB 0.018 30.309 30.300 -0.014 0.000 0.845 105 R HN 0.128 nan 8.270 nan 0.000 0.430 106 K N 0.207 120.631 120.400 0.040 0.000 2.283 106 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 106 K C 1.867 178.525 176.600 0.097 0.000 1.048 106 K CA 1.067 57.395 56.287 0.069 0.000 0.948 106 K CB -0.097 32.454 32.500 0.085 0.000 0.742 106 K HN 0.305 nan 8.250 nan 0.000 0.458 107 A N 2.007 124.899 122.820 0.120 0.000 1.969 107 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 107 A C 1.977 179.562 177.584 0.001 0.000 1.169 107 A CA 1.570 53.641 52.037 0.055 0.000 0.635 107 A CB -0.298 18.742 19.000 0.067 0.000 0.810 107 A HN 0.540 nan 8.150 nan 0.000 0.445 108 E N -0.083 120.123 120.200 0.010 0.000 2.435 108 E HA -0.072 4.277 4.350 -0.000 0.000 0.195 108 E C 1.270 177.867 176.600 -0.005 0.000 1.029 108 E CA 0.711 57.108 56.400 -0.005 0.000 0.865 108 E CB -0.267 29.429 29.700 -0.006 0.000 0.833 108 E HN 0.696 nan 8.360 nan 0.000 0.510 109 E N 0.941 121.144 120.200 0.005 0.000 2.204 109 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 109 E C 1.913 178.514 176.600 0.002 0.000 0.989 109 E CA 0.865 57.269 56.400 0.006 0.000 0.824 109 E CB 0.026 29.735 29.700 0.015 0.000 0.756 109 E HN 0.409 nan 8.360 nan 0.000 0.477 110 L N -0.031 121.189 121.223 -0.004 0.000 2.298 110 L HA 0.018 4.358 4.340 -0.000 0.000 0.209 110 L C 2.168 179.025 176.870 -0.022 0.000 1.084 110 L CA 0.284 55.116 54.840 -0.012 0.000 0.816 110 L CB -0.128 41.915 42.059 -0.026 0.000 0.967 110 L HN 0.112 nan 8.230 nan 0.000 0.460 111 L N -0.367 120.838 121.223 -0.030 0.000 2.156 111 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 111 L C 1.568 178.421 176.870 -0.029 0.000 1.095 111 L CA 0.892 55.709 54.840 -0.038 0.000 0.770 111 L CB -0.319 41.714 42.059 -0.043 0.000 0.914 111 L HN 0.229 nan 8.230 nan 0.000 0.439 112 D N -0.180 120.207 120.400 -0.020 0.000 2.336 112 D HA -0.057 4.583 4.640 -0.000 0.000 0.229 112 D C 1.273 177.566 176.300 -0.011 0.000 1.061 112 D CA 0.589 54.580 54.000 -0.016 0.000 0.875 112 D CB 0.343 41.136 40.800 -0.013 0.000 0.904 112 D HN 0.473 nan 8.370 nan 0.000 0.525 113 Q N 0.090 119.884 119.800 -0.010 0.000 2.179 113 Q HA 0.110 4.450 4.340 -0.000 0.000 0.213 113 Q C -0.207 175.790 176.000 -0.006 0.000 0.833 113 Q CA -0.207 55.593 55.803 -0.005 0.000 0.990 113 Q CB 0.718 29.455 28.738 -0.001 0.000 1.132 113 Q HN 0.126 nan 8.270 nan 0.000 0.493 114 N N -0.240 118.452 118.700 -0.012 0.000 2.776 114 N HA -0.140 4.600 4.740 -0.000 0.000 0.250 114 N C -0.453 175.056 175.510 -0.000 0.000 1.112 114 N CA 0.456 53.499 53.050 -0.012 0.000 0.733 114 N CB -1.645 36.839 38.487 -0.004 0.000 1.097 114 N HN 0.045 nan 8.380 nan 0.000 0.558 115 V N 1.525 121.438 119.914 -0.002 0.000 2.637 115 V HA 0.013 4.133 4.120 -0.000 0.000 0.296 115 V C 1.232 177.340 176.094 0.023 0.000 1.046 115 V CA -0.197 62.113 62.300 0.016 0.000 1.066 115 V CB 1.167 32.989 31.823 -0.001 0.000 0.968 115 V HN 0.256 nan 8.190 nan 0.000 0.483 116 H N 7.199 126.253 119.070 -0.027 0.000 2.815 116 H HA 0.104 4.660 4.556 -0.000 0.000 0.350 116 H C -1.700 173.605 175.328 -0.038 0.000 1.080 116 H CA -1.489 54.543 56.048 -0.025 0.000 1.433 116 H CB 1.838 31.589 29.762 -0.019 0.000 1.432 116 H HN 0.379 nan 8.280 nan 0.000 0.592 117 P HA -0.165 nan 4.420 nan 0.000 0.216 117 P C 1.383 178.758 177.300 0.126 0.000 1.153 117 P CA 2.521 65.624 63.100 0.005 0.000 0.858 117 P CB 0.003 31.670 31.700 -0.056 0.000 0.789 118 T N -3.491 111.284 114.554 0.368 0.000 2.962 118 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 118 T C 1.685 176.420 174.700 0.057 0.000 1.088 118 T CA 0.767 62.962 62.100 0.158 0.000 1.127 118 T CB -0.772 68.138 68.868 0.069 0.000 0.883 118 T HN -0.078 nan 8.240 nan 0.000 0.493 119 I N 1.001 121.612 120.570 0.068 0.000 2.400 119 I HA 0.017 4.187 4.170 -0.000 0.000 0.248 119 I C 2.644 178.748 176.117 -0.022 0.000 1.109 119 I CA 0.340 61.649 61.300 0.014 0.000 1.425 119 I CB -1.084 36.930 38.000 0.025 0.000 1.094 119 I HN 0.164 nan 8.210 nan 0.000 0.425 120 V N 0.619 120.495 119.914 -0.063 0.000 2.255 120 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 120 V C 2.616 178.565 176.094 -0.241 0.000 1.051 120 V CA 1.800 63.970 62.300 -0.216 0.000 1.018 120 V CB -0.719 30.929 31.823 -0.292 0.000 0.641 120 V HN 0.313 nan 8.190 nan 0.000 0.445 121 V N -0.059 119.786 119.914 -0.115 0.000 2.759 121 V HA -0.224 3.896 4.120 -0.000 0.000 0.256 121 V C 2.410 178.538 176.094 0.056 0.000 1.080 121 V CA 2.425 64.721 62.300 -0.006 0.000 1.101 121 V CB -0.471 31.372 31.823 0.035 0.000 0.698 121 V HN 0.621 nan 8.190 nan 0.000 0.477 122 K N -0.010 120.407 120.400 0.028 0.000 2.001 122 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 122 K C 2.050 178.690 176.600 0.066 0.000 1.048 122 K CA 1.682 57.993 56.287 0.040 0.000 0.932 122 K CB -0.701 31.810 32.500 0.018 0.000 0.715 122 K HN 0.535 nan 8.250 nan 0.000 0.437 123 G N -0.512 108.328 108.800 0.067 0.000 2.448 123 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 123 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 123 G C 1.325 176.359 174.900 0.224 0.000 1.135 123 G CA 0.319 45.486 45.100 0.113 0.000 0.784 123 G HN 0.357 nan 8.290 nan 0.000 0.543 124 Y N 0.054 120.405 120.300 0.085 0.000 2.163 124 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 124 Y C 3.170 179.065 175.900 -0.008 0.000 1.136 124 Y CA 1.167 59.362 58.100 0.158 0.000 1.147 124 Y CB 0.046 38.650 38.460 0.240 0.000 0.987 124 Y HN 0.231 nan 8.280 nan 0.000 0.509 125 Q N 0.440 120.353 119.800 0.188 0.000 2.061 125 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 125 Q C 2.419 178.390 176.000 -0.048 0.000 0.984 125 Q CA 1.621 57.458 55.803 0.058 0.000 0.846 125 Q CB -0.269 28.506 28.738 0.062 0.000 0.902 125 Q HN 0.481 nan 8.270 nan 0.000 0.421 126 A N 0.494 123.304 122.820 -0.017 0.000 1.948 126 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 126 A C 2.159 179.627 177.584 -0.194 0.000 1.177 126 A CA 2.005 54.021 52.037 -0.034 0.000 0.636 126 A CB -0.807 18.239 19.000 0.076 0.000 0.815 126 A HN 0.568 nan 8.150 nan 0.000 0.449 127 A N -0.862 121.754 122.820 -0.340 0.000 1.984 127 A HA 0.419 4.739 4.320 -0.000 0.000 0.214 127 A C 2.413 179.446 177.584 -0.919 0.000 1.173 127 A CA 1.369 53.004 52.037 -0.669 0.000 0.673 127 A CB -0.768 17.754 19.000 -0.797 0.000 0.830 127 A HN 0.975 nan 8.150 nan 0.000 0.453 128 A N -0.455 121.850 122.820 -0.858 0.000 1.933 128 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 128 A C 2.135 179.558 177.584 -0.269 0.000 1.175 128 A CA 2.122 53.880 52.037 -0.465 0.000 0.628 128 A CB -0.483 18.434 19.000 -0.137 0.000 0.814 128 A HN 0.508 nan 8.150 nan 0.000 0.444 129 Q N 0.171 119.827 119.800 -0.241 0.000 2.030 129 Q HA -0.213 4.126 4.340 -0.000 0.000 0.204 129 Q C 2.051 177.917 176.000 -0.223 0.000 0.986 129 Q CA 2.504 58.202 55.803 -0.175 0.000 0.843 129 Q CB -0.334 28.324 28.738 -0.133 0.000 0.904 129 Q HN 0.466 nan 8.270 nan 0.000 0.420 130 K N 0.009 120.194 120.400 -0.358 0.000 2.032 130 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 130 K C 1.823 178.246 176.600 -0.295 0.000 1.048 130 K CA 1.802 57.829 56.287 -0.433 0.000 0.927 130 K CB -0.959 31.029 32.500 -0.854 0.000 0.712 130 K HN 0.278 nan 8.250 nan 0.000 0.441 131 A N 0.410 123.059 122.820 -0.286 0.000 2.125 131 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 131 A C 1.932 179.457 177.584 -0.100 0.000 1.156 131 A CA 1.316 53.257 52.037 -0.160 0.000 0.671 131 A CB -0.417 18.521 19.000 -0.104 0.000 0.794 131 A HN 0.365 nan 8.150 nan 0.000 0.459 132 Q N 0.034 119.768 119.800 -0.110 0.000 2.083 132 Q HA -0.146 4.194 4.340 -0.000 0.000 0.198 132 Q C 1.941 177.906 176.000 -0.059 0.000 0.969 132 Q CA 1.700 57.462 55.803 -0.068 0.000 0.838 132 Q CB -0.302 28.399 28.738 -0.062 0.000 0.900 132 Q HN 1.000 nan 8.270 nan 0.000 0.436 133 E N -0.294 119.860 120.200 -0.076 0.000 2.385 133 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 133 E C 1.929 178.498 176.600 -0.051 0.000 1.013 133 E CA 0.061 56.428 56.400 -0.056 0.000 0.866 133 E CB -0.198 29.468 29.700 -0.056 0.000 0.832 133 E HN 0.207 nan 8.360 nan 0.000 0.500 134 L N 0.637 121.819 121.223 -0.068 0.000 2.291 134 L HA -0.026 4.314 4.340 -0.000 0.000 0.214 134 L C 2.283 179.135 176.870 -0.031 0.000 1.120 134 L CA 0.537 55.345 54.840 -0.052 0.000 0.799 134 L CB 0.011 42.025 42.059 -0.074 0.000 0.925 134 L HN 0.182 nan 8.230 nan 0.000 0.446 135 L N -1.093 120.112 121.223 -0.031 0.000 2.102 135 L HA -0.137 4.203 4.340 -0.000 0.000 0.202 135 L C 2.449 179.311 176.870 -0.013 0.000 1.076 135 L CA 0.827 55.657 54.840 -0.018 0.000 0.761 135 L CB -0.283 41.766 42.059 -0.017 0.000 0.921 135 L HN 0.074 nan 8.230 nan 0.000 0.444 136 K N -0.281 120.109 120.400 -0.017 0.000 2.127 136 K HA -0.280 4.040 4.320 -0.000 0.000 0.212 136 K C 2.001 178.596 176.600 -0.007 0.000 1.050 136 K CA 2.330 58.610 56.287 -0.012 0.000 0.929 136 K CB -0.373 32.117 32.500 -0.016 0.000 0.715 136 K HN 0.487 nan 8.250 nan 0.000 0.457 137 T N -0.964 113.585 114.554 -0.007 0.000 3.043 137 T HA -0.001 4.349 4.350 -0.000 0.000 0.263 137 T C 1.528 176.230 174.700 0.003 0.000 1.094 137 T CA 0.589 62.688 62.100 -0.002 0.000 1.127 137 T CB -0.265 68.602 68.868 -0.002 0.000 0.905 137 T HN 0.398 nan 8.240 nan 0.000 0.490 138 I N -0.735 119.838 120.570 0.004 0.000 3.889 138 I HA 0.685 4.855 4.170 -0.000 0.000 0.332 138 I C 0.312 176.436 176.117 0.011 0.000 1.493 138 I CA -1.097 60.210 61.300 0.012 0.000 1.158 138 I CB -0.243 37.768 38.000 0.018 0.000 1.117 138 I HN 0.148 nan 8.210 nan 0.000 0.411 139 A N 1.533 124.357 122.820 0.006 0.000 2.258 139 A HA 0.547 4.867 4.320 -0.000 0.000 0.316 139 A C 0.307 177.894 177.584 0.006 0.000 1.279 139 A CA -0.450 51.590 52.037 0.005 0.000 0.876 139 A CB 0.047 19.048 19.000 0.002 0.000 1.170 139 A HN 0.558 nan 8.150 nan 0.000 0.520 140 C N 2.267 121.571 119.300 0.007 0.000 2.679 140 C HA 0.240 4.700 4.460 -0.000 0.000 0.417 140 C C 0.872 175.865 174.990 0.005 0.000 1.302 140 C CA -0.650 58.372 59.018 0.006 0.000 1.973 140 C CB -0.597 27.147 27.740 0.007 0.000 2.715 140 C HN 0.767 nan 8.230 nan 0.000 0.628 141 E N 0.551 120.753 120.200 0.004 0.000 2.318 141 E HA 0.660 5.010 4.350 -0.000 0.000 0.265 141 E C -0.548 176.054 176.600 0.004 0.000 1.069 141 E CA -0.085 56.317 56.400 0.003 0.000 0.893 141 E CB 1.533 31.235 29.700 0.003 0.000 1.076 141 E HN 0.512 nan 8.360 nan 0.000 0.414 142 V N -0.071 119.845 119.914 0.003 0.000 3.048 142 V HA 0.399 4.519 4.120 -0.000 0.000 0.303 142 V C 0.045 176.141 176.094 0.003 0.000 1.214 142 V CA -1.103 61.199 62.300 0.003 0.000 0.984 142 V CB 2.300 34.125 31.823 0.004 0.000 1.054 142 V HN 0.760 nan 8.190 nan 0.000 0.430 143 G N 1.179 109.980 108.800 0.003 0.000 2.380 143 G HA2 0.478 4.438 3.960 -0.000 0.000 0.262 143 G HA3 0.478 4.438 3.960 -0.000 0.000 0.262 143 G C 1.008 175.909 174.900 0.003 0.000 1.243 143 G CA 0.283 45.385 45.100 0.003 0.000 0.865 143 G HN 1.300 nan 8.290 nan 0.000 0.513 144 A N 1.841 124.663 122.820 0.002 0.000 2.194 144 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 144 A C 1.808 179.393 177.584 0.001 0.000 1.162 144 A CA 1.808 53.846 52.037 0.002 0.000 0.674 144 A CB -0.039 18.962 19.000 0.002 0.000 0.789 144 A HN 0.649 nan 8.150 nan 0.000 0.470 145 Q N -1.023 118.778 119.800 0.002 0.000 2.118 145 Q HA 0.054 4.394 4.340 -0.000 0.000 0.219 145 Q C -0.551 175.451 176.000 0.002 0.000 0.794 145 Q CA -0.260 55.544 55.803 0.002 0.000 1.035 145 Q CB 0.517 29.257 28.738 0.003 0.000 1.177 145 Q HN 0.420 nan 8.270 nan 0.000 0.478 146 D N 1.555 121.957 120.400 0.003 0.000 2.606 146 D HA -0.076 4.564 4.640 -0.000 0.000 0.234 146 D C 0.610 176.912 176.300 0.003 0.000 1.140 146 D CA 0.507 54.508 54.000 0.003 0.000 1.182 146 D CB 0.259 41.061 40.800 0.003 0.000 1.130 146 D HN 0.160 nan 8.370 nan 0.000 0.485 147 K N 1.264 121.666 120.400 0.002 0.000 2.585 147 K HA -0.128 4.192 4.320 -0.000 0.000 0.194 147 K C 1.579 178.181 176.600 0.003 0.000 1.037 147 K CA 0.570 56.858 56.287 0.002 0.000 0.964 147 K CB 0.302 32.802 32.500 0.001 0.000 0.787 147 K HN 0.394 nan 8.250 nan 0.000 0.488 148 E N 0.380 120.582 120.200 0.003 0.000 2.075 148 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 148 E C 1.819 178.423 176.600 0.005 0.000 0.969 148 E CA 0.483 56.886 56.400 0.004 0.000 0.815 148 E CB 0.057 29.760 29.700 0.005 0.000 0.776 148 E HN 0.270 nan 8.360 nan 0.000 0.457 149 I N 1.460 122.033 120.570 0.005 0.000 2.252 149 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 149 I C 2.482 178.603 176.117 0.006 0.000 1.102 149 I CA 0.661 61.964 61.300 0.006 0.000 1.385 149 I CB -0.093 37.910 38.000 0.006 0.000 1.064 149 I HN 0.196 nan 8.210 nan 0.000 0.414 150 L N 0.022 121.247 121.223 0.004 0.000 2.189 150 L HA -0.259 4.081 4.340 -0.000 0.000 0.214 150 L C 2.266 179.139 176.870 0.004 0.000 1.097 150 L CA 1.543 56.385 54.840 0.003 0.000 0.764 150 L CB -0.866 41.194 42.059 0.001 0.000 0.900 150 L HN 0.305 nan 8.230 nan 0.000 0.436 151 T N -1.465 113.092 114.554 0.005 0.000 3.054 151 T HA -0.037 4.313 4.350 -0.000 0.000 0.259 151 T C 1.834 176.540 174.700 0.009 0.000 1.092 151 T CA 0.471 62.575 62.100 0.006 0.000 1.121 151 T CB 0.211 69.083 68.868 0.005 0.000 0.912 151 T HN 0.264 nan 8.240 nan 0.000 0.489 152 K N 0.776 121.183 120.400 0.010 0.000 2.155 152 K HA 0.194 4.514 4.320 -0.000 0.000 0.203 152 K C 1.928 178.537 176.600 0.015 0.000 1.052 152 K CA 0.746 57.041 56.287 0.014 0.000 0.948 152 K CB -0.052 32.456 32.500 0.014 0.000 0.728 152 K HN 0.282 nan 8.250 nan 0.000 0.448 153 I N 0.776 121.353 120.570 0.011 0.000 2.286 153 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 153 I C 2.218 178.341 176.117 0.010 0.000 1.104 153 I CA 0.893 62.199 61.300 0.010 0.000 1.397 153 I CB -0.100 37.904 38.000 0.007 0.000 1.072 153 I HN 0.118 nan 8.210 nan 0.000 0.417 154 A N -0.390 122.435 122.820 0.009 0.000 2.119 154 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 154 A C 2.123 179.714 177.584 0.013 0.000 1.153 154 A CA 1.111 53.153 52.037 0.009 0.000 0.692 154 A CB -0.360 18.644 19.000 0.006 0.000 0.799 154 A HN 0.405 nan 8.150 nan 0.000 0.458 155 M N -1.491 118.119 119.600 0.016 0.000 2.466 155 M HA 0.045 4.525 4.480 -0.000 0.000 0.265 155 M C 1.793 178.111 176.300 0.030 0.000 1.122 155 M CA 1.593 56.906 55.300 0.022 0.000 1.157 155 M CB -0.007 32.606 32.600 0.022 0.000 1.352 155 M HN 0.216 nan 8.290 nan 0.000 0.464 156 T N -0.786 113.785 114.554 0.028 0.000 2.951 156 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 156 T C 1.884 176.599 174.700 0.025 0.000 1.073 156 T CA 1.485 63.603 62.100 0.031 0.000 1.134 156 T CB -0.198 68.684 68.868 0.023 0.000 0.884 156 T HN 0.463 nan 8.240 nan 0.000 0.479 157 S N 0.691 116.403 115.700 0.019 0.000 2.345 157 S HA 0.035 4.505 4.470 -0.000 0.000 0.219 157 S C 2.024 176.636 174.600 0.019 0.000 1.031 157 S CA 0.578 58.787 58.200 0.015 0.000 0.984 157 S CB -0.346 62.859 63.200 0.010 0.000 0.874 157 S HN 0.453 nan 8.310 nan 0.000 0.451 158 I N 1.401 121.983 120.570 0.021 0.000 2.179 158 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 158 I C 1.169 177.307 176.117 0.034 0.000 1.088 158 I CA 0.702 62.016 61.300 0.023 0.000 1.357 158 I CB -1.065 36.947 38.000 0.020 0.000 1.051 158 I HN 0.273 nan 8.210 nan 0.000 0.409 159 T N 0.490 115.073 114.554 0.048 0.000 2.791 159 T HA 0.204 4.554 4.350 -0.000 0.000 0.323 159 T C 1.176 175.910 174.700 0.056 0.000 1.082 159 T CA 0.845 62.990 62.100 0.074 0.000 1.084 159 T CB 0.818 69.754 68.868 0.113 0.000 0.992 159 T HN 0.676 nan 8.240 nan 0.000 0.547 160 G N 1.055 109.892 108.800 0.062 0.000 2.320 160 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 160 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 160 G C 0.676 175.591 174.900 0.026 0.000 1.033 160 G CA 0.290 45.408 45.100 0.031 0.000 0.620 160 G HN 0.633 nan 8.290 nan 0.000 0.517 161 K N 1.454 121.872 120.400 0.030 0.000 2.577 161 K HA 0.458 4.778 4.320 -0.000 0.000 0.210 161 K C 0.872 177.493 176.600 0.035 0.000 1.048 161 K CA 0.533 56.836 56.287 0.026 0.000 1.188 161 K CB 0.013 32.526 32.500 0.021 0.000 0.910 161 K HN 1.556 nan 8.250 nan 0.000 0.483 162 G N 0.286 109.116 108.800 0.051 0.000 3.055 162 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 162 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 162 G C 0.453 175.398 174.900 0.075 0.000 1.087 162 G CA -0.477 44.662 45.100 0.064 0.000 0.779 162 G HN 0.154 nan 8.290 nan 0.000 0.599 163 A N 1.254 124.140 122.820 0.109 0.000 2.125 163 A HA 0.080 4.400 4.320 -0.000 0.000 0.219 163 A C 2.111 179.698 177.584 0.006 0.000 1.156 163 A CA 2.113 54.196 52.037 0.077 0.000 0.671 163 A CB -0.139 18.876 19.000 0.025 0.000 0.794 163 A HN 1.345 nan 8.150 nan 0.000 0.459 164 E N 0.419 120.623 120.200 0.007 0.000 2.481 164 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 164 E C 1.153 177.753 176.600 0.001 0.000 1.047 164 E CA 0.809 57.205 56.400 -0.008 0.000 0.867 164 E CB -0.212 29.485 29.700 -0.006 0.000 0.858 164 E HN 0.586 nan 8.360 nan 0.000 0.513 165 K N 0.488 120.895 120.400 0.012 0.000 2.379 165 K HA 0.232 4.552 4.320 -0.000 0.000 0.194 165 K C 1.257 177.864 176.600 0.011 0.000 1.031 165 K CA 0.522 56.816 56.287 0.012 0.000 1.037 165 K CB 0.376 32.887 32.500 0.017 0.000 0.824 165 K HN 0.101 nan 8.250 nan 0.000 0.516 166 A N 2.028 124.854 122.820 0.011 0.000 2.305 166 A HA -0.013 4.307 4.320 -0.000 0.000 0.236 166 A C 0.094 177.679 177.584 0.002 0.000 1.392 166 A CA 0.062 52.106 52.037 0.012 0.000 1.205 166 A CB -0.585 18.427 19.000 0.020 0.000 0.881 166 A HN -0.028 nan 8.150 nan 0.000 0.558 167 K N 0.943 121.343 120.400 0.000 0.000 2.491 167 K HA -0.009 4.311 4.320 -0.000 0.000 0.279 167 K C 1.075 177.674 176.600 -0.001 0.000 1.026 167 K CA 0.276 56.562 56.287 -0.003 0.000 1.070 167 K CB 0.276 32.776 32.500 -0.001 0.000 0.887 167 K HN 0.421 nan 8.250 nan 0.000 0.481 168 E N 3.560 123.758 120.200 -0.003 0.000 2.058 168 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 168 E C 0.496 177.096 176.600 0.001 0.000 0.997 168 E CA 1.425 57.824 56.400 -0.001 0.000 0.801 168 E CB 0.155 29.853 29.700 -0.003 0.000 0.746 168 E HN 0.517 nan 8.360 nan 0.000 0.450 169 K N 0.493 120.893 120.400 0.000 0.000 2.551 169 K HA -0.057 4.263 4.320 -0.000 0.000 0.192 169 K C 1.654 178.256 176.600 0.002 0.000 1.027 169 K CA -0.079 56.209 56.287 0.001 0.000 1.059 169 K CB 0.154 32.655 32.500 0.001 0.000 0.831 169 K HN -0.005 nan 8.250 nan 0.000 0.508 170 L N -0.465 120.759 121.223 0.003 0.000 2.362 170 L HA 0.202 4.542 4.340 -0.000 0.000 0.204 170 L C 2.006 178.878 176.870 0.004 0.000 1.060 170 L CA 1.074 55.916 54.840 0.004 0.000 0.827 170 L CB -0.391 41.671 42.059 0.005 0.000 1.027 170 L HN -0.005 nan 8.230 nan 0.000 0.474 171 A N 0.040 122.863 122.820 0.005 0.000 1.865 171 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 171 A C 2.082 179.668 177.584 0.003 0.000 1.191 171 A CA 2.102 54.142 52.037 0.005 0.000 0.623 171 A CB -0.784 18.220 19.000 0.007 0.000 0.826 171 A HN 0.607 nan 8.150 nan 0.000 0.444 172 E N -0.308 119.894 120.200 0.003 0.000 2.097 172 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 172 E C 1.940 178.540 176.600 0.000 0.000 1.000 172 E CA 1.397 57.798 56.400 0.001 0.000 0.804 172 E CB -0.398 29.303 29.700 0.002 0.000 0.740 172 E HN 0.705 nan 8.360 nan 0.000 0.454 173 I N 0.927 121.498 120.570 0.001 0.000 2.208 173 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 173 I C 2.435 178.550 176.117 -0.003 0.000 1.097 173 I CA 1.143 62.443 61.300 -0.000 0.000 1.363 173 I CB -0.309 37.692 38.000 0.002 0.000 1.051 173 I HN 0.128 nan 8.210 nan 0.000 0.413 174 I N 0.004 120.573 120.570 -0.002 0.000 2.142 174 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 174 I C 2.584 178.697 176.117 -0.006 0.000 1.078 174 I CA 1.195 62.493 61.300 -0.004 0.000 1.343 174 I CB -0.436 37.563 38.000 -0.001 0.000 1.046 174 I HN -0.007 nan 8.210 nan 0.000 0.405 175 V N 1.116 121.028 119.914 -0.004 0.000 2.231 175 V HA -0.381 3.739 4.120 -0.000 0.000 0.250 175 V C 2.560 178.649 176.094 -0.008 0.000 1.058 175 V CA 2.545 64.843 62.300 -0.005 0.000 1.022 175 V CB -0.796 31.026 31.823 -0.002 0.000 0.640 175 V HN 0.546 nan 8.190 nan 0.000 0.445 176 E N 0.397 120.592 120.200 -0.008 0.000 2.097 176 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 176 E C 2.017 178.606 176.600 -0.018 0.000 1.000 176 E CA 1.872 58.265 56.400 -0.012 0.000 0.804 176 E CB -0.361 29.333 29.700 -0.009 0.000 0.740 176 E HN 0.582 nan 8.360 nan 0.000 0.454 177 A N -0.018 122.793 122.820 -0.016 0.000 2.016 177 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 177 A C 2.277 179.847 177.584 -0.023 0.000 1.162 177 A CA 0.939 52.964 52.037 -0.021 0.000 0.662 177 A CB -0.031 18.959 19.000 -0.017 0.000 0.812 177 A HN 0.232 nan 8.150 nan 0.000 0.450 178 V N -0.484 119.419 119.914 -0.019 0.000 2.649 178 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 178 V C 2.595 178.677 176.094 -0.021 0.000 1.054 178 V CA 1.936 64.225 62.300 -0.018 0.000 1.073 178 V CB -0.265 31.550 31.823 -0.012 0.000 0.699 178 V HN 0.522 nan 8.190 nan 0.000 0.463 179 S N 0.612 116.300 115.700 -0.021 0.000 2.402 179 S HA -0.126 4.343 4.470 -0.000 0.000 0.229 179 S C 2.226 176.804 174.600 -0.037 0.000 1.021 179 S CA 1.311 59.497 58.200 -0.023 0.000 0.974 179 S CB -0.339 62.850 63.200 -0.018 0.000 0.800 179 S HN 0.637 nan 8.310 nan 0.000 0.484 180 A N 1.392 124.184 122.820 -0.048 0.000 1.877 180 A HA -0.054 4.265 4.320 -0.000 0.000 0.216 180 A C 2.157 179.695 177.584 -0.077 0.000 1.186 180 A CA 1.684 53.675 52.037 -0.077 0.000 0.620 180 A CB -0.842 18.112 19.000 -0.077 0.000 0.822 180 A HN 0.617 nan 8.150 nan 0.000 0.443 181 V N -1.782 118.101 119.914 -0.052 0.000 3.602 181 V HA 0.240 4.360 4.120 -0.000 0.000 0.289 181 V C 0.459 176.536 176.094 -0.028 0.000 1.265 181 V CA -0.311 61.964 62.300 -0.042 0.000 1.202 181 V CB -1.133 30.670 31.823 -0.033 0.000 1.012 181 V HN 0.096 nan 8.190 nan 0.000 0.431 182 V N 4.000 123.898 119.914 -0.027 0.000 2.485 182 V HA 0.125 4.245 4.120 -0.000 0.000 0.287 182 V C 0.519 176.610 176.094 -0.006 0.000 1.022 182 V CA 0.206 62.497 62.300 -0.014 0.000 1.067 182 V CB 0.603 32.420 31.823 -0.011 0.000 0.967 182 V HN 0.814 nan 8.190 nan 0.000 0.479 183 D N 4.623 125.022 120.400 -0.001 0.000 2.494 183 D HA 0.043 4.683 4.640 -0.000 0.000 0.217 183 D C -0.285 176.020 176.300 0.009 0.000 1.153 183 D CA -0.623 53.380 54.000 0.006 0.000 0.954 183 D CB 0.443 41.245 40.800 0.004 0.000 1.034 183 D HN 0.416 nan 8.370 nan 0.000 0.518 184 D N 2.856 123.265 120.400 0.016 0.000 2.451 184 D HA 0.038 4.678 4.640 -0.000 0.000 0.254 184 D C 0.415 176.724 176.300 0.014 0.000 1.204 184 D CA 0.560 54.569 54.000 0.016 0.000 0.896 184 D CB 0.672 41.486 40.800 0.024 0.000 1.136 184 D HN 0.542 nan 8.370 nan 0.000 0.499 185 E N 0.450 120.656 120.200 0.010 0.000 2.277 185 E HA 0.679 5.029 4.350 -0.000 0.000 0.266 185 E C 0.326 176.929 176.600 0.005 0.000 0.901 185 E CA -1.347 55.058 56.400 0.007 0.000 0.782 185 E CB 2.059 31.763 29.700 0.007 0.000 1.228 185 E HN 0.400 nan 8.360 nan 0.000 0.424 186 G N 1.762 110.565 108.800 0.003 0.000 5.253 186 G HA2 0.082 4.041 3.960 -0.000 0.000 0.238 186 G HA3 0.082 4.041 3.960 -0.000 0.000 0.238 186 G C -0.300 174.601 174.900 0.001 0.000 0.867 186 G CA -0.420 44.682 45.100 0.003 0.000 0.717 186 G HN 0.064 nan 8.290 nan 0.000 0.405 187 K N 0.260 120.660 120.400 0.000 0.000 2.185 187 K HA 0.693 5.013 4.320 -0.000 0.000 0.240 187 K C -0.531 176.067 176.600 -0.004 0.000 0.983 187 K CA -0.913 55.373 56.287 -0.002 0.000 0.873 187 K CB 2.449 34.949 32.500 -0.002 0.000 1.118 187 K HN -0.073 nan 8.250 nan 0.000 0.441 188 V N 1.440 121.351 119.914 -0.005 0.000 2.347 188 V HA 0.066 4.186 4.120 -0.000 0.000 0.280 188 V C -0.331 175.758 176.094 -0.008 0.000 1.021 188 V CA -0.802 61.493 62.300 -0.008 0.000 0.847 188 V CB 1.223 33.041 31.823 -0.008 0.000 0.990 188 V HN 0.597 nan 8.190 nan 0.000 0.444 189 D N 3.860 124.254 120.400 -0.010 0.000 2.402 189 D HA 0.203 4.843 4.640 -0.000 0.000 0.235 189 D C 1.049 177.341 176.300 -0.013 0.000 1.226 189 D CA -0.245 53.748 54.000 -0.010 0.000 0.918 189 D CB 1.180 41.974 40.800 -0.011 0.000 1.043 189 D HN 0.365 nan 8.370 nan 0.000 0.506 190 K N 1.404 121.797 120.400 -0.011 0.000 2.442 190 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 190 K C 0.618 177.209 176.600 -0.015 0.000 1.045 190 K CA 0.911 57.191 56.287 -0.012 0.000 0.937 190 K CB 0.240 32.734 32.500 -0.010 0.000 0.757 190 K HN 0.384 nan 8.250 nan 0.000 0.474 191 D N -0.553 119.837 120.400 -0.016 0.000 2.349 191 D HA 0.054 4.694 4.640 -0.000 0.000 0.214 191 D C 1.092 177.379 176.300 -0.023 0.000 1.063 191 D CA 0.327 54.316 54.000 -0.018 0.000 0.847 191 D CB 0.324 41.114 40.800 -0.016 0.000 0.933 191 D HN 0.167 nan 8.370 nan 0.000 0.513 192 L N 0.214 121.423 121.223 -0.023 0.000 2.509 192 L HA 0.196 4.536 4.340 -0.000 0.000 0.222 192 L C 0.712 177.563 176.870 -0.031 0.000 1.123 192 L CA 0.325 55.149 54.840 -0.027 0.000 0.856 192 L CB 0.349 42.393 42.059 -0.024 0.000 0.985 192 L HN -0.152 nan 8.230 nan 0.000 0.456 193 I N 1.074 121.627 120.570 -0.028 0.000 2.287 193 I HA 0.097 4.266 4.170 -0.000 0.000 0.290 193 I C 0.374 176.472 176.117 -0.032 0.000 1.069 193 I CA -0.181 61.101 61.300 -0.030 0.000 1.237 193 I CB 0.715 38.701 38.000 -0.024 0.000 1.418 193 I HN 0.010 nan 8.210 nan 0.000 0.481 194 K N 7.242 127.619 120.400 -0.040 0.000 2.322 194 K HA 0.425 4.744 4.320 -0.000 0.000 0.283 194 K C -0.695 175.880 176.600 -0.042 0.000 1.042 194 K CA -0.243 56.017 56.287 -0.045 0.000 0.958 194 K CB 0.843 33.307 32.500 -0.060 0.000 0.984 194 K HN 0.569 nan 8.250 nan 0.000 0.473 195 I N 3.889 124.437 120.570 -0.038 0.000 2.355 195 I HA 0.166 4.336 4.170 -0.000 0.000 0.288 195 I C -0.530 175.564 176.117 -0.038 0.000 0.999 195 I CA -0.730 60.551 61.300 -0.032 0.000 1.163 195 I CB 1.694 39.681 38.000 -0.023 0.000 1.316 195 I HN 0.655 nan 8.210 nan 0.000 0.454 196 E N 6.736 126.911 120.200 -0.043 0.000 2.212 196 E HA 0.448 4.798 4.350 -0.000 0.000 0.268 196 E C -1.282 175.297 176.600 -0.034 0.000 0.902 196 E CA -0.692 55.678 56.400 -0.050 0.000 0.779 196 E CB 1.485 31.137 29.700 -0.079 0.000 1.172 196 E HN 0.315 nan 8.360 nan 0.000 0.409 197 K N 3.948 124.329 120.400 -0.030 0.000 2.450 197 K HA 0.534 4.854 4.320 -0.000 0.000 0.257 197 K C -0.787 175.803 176.600 -0.017 0.000 0.953 197 K CA -1.046 55.229 56.287 -0.020 0.000 0.844 197 K CB 1.594 34.081 32.500 -0.022 0.000 1.103 197 K HN 0.193 nan 8.250 nan 0.000 0.429 198 K N 1.482 121.880 120.400 -0.004 0.000 2.501 198 K HA 0.150 4.470 4.320 -0.000 0.000 0.252 198 K C 0.763 177.369 176.600 0.011 0.000 0.934 198 K CA -0.414 55.876 56.287 0.006 0.000 0.797 198 K CB 2.072 34.587 32.500 0.025 0.000 1.270 198 K HN 0.718 nan 8.250 nan 0.000 0.431 199 S N 1.762 117.466 115.700 0.006 0.000 2.462 199 S HA -0.102 4.368 4.470 -0.000 0.000 0.219 199 S C 1.030 175.636 174.600 0.010 0.000 1.048 199 S CA 1.146 59.348 58.200 0.003 0.000 1.119 199 S CB -0.957 62.242 63.200 -0.003 0.000 1.100 199 S HN 1.134 nan 8.310 nan 0.000 0.411 200 G N 0.798 109.606 108.800 0.014 0.000 2.915 200 G HA2 0.214 4.174 3.960 -0.000 0.000 0.337 200 G HA3 0.214 4.174 3.960 -0.000 0.000 0.337 200 G C 0.054 174.959 174.900 0.010 0.000 1.477 200 G CA -0.085 45.023 45.100 0.014 0.000 0.916 200 G HN 1.755 nan 8.290 nan 0.000 0.550 201 A N 0.301 123.127 122.820 0.009 0.000 3.215 201 A HA 0.748 5.068 4.320 -0.000 0.000 0.269 201 A C 1.068 178.656 177.584 0.007 0.000 1.517 201 A CA 1.279 53.320 52.037 0.007 0.000 1.221 201 A CB -0.058 18.945 19.000 0.005 0.000 1.160 201 A HN 2.013 nan 8.150 nan 0.000 0.620 202 S N 0.293 115.998 115.700 0.008 0.000 3.252 202 S HA 0.315 4.785 4.470 -0.000 0.000 0.175 202 S C 1.410 176.015 174.600 0.008 0.000 0.799 202 S CA 0.802 59.007 58.200 0.009 0.000 0.985 202 S CB -0.428 62.780 63.200 0.012 0.000 1.036 202 S HN 0.783 nan 8.310 nan 0.000 0.821 203 I N 1.253 121.828 120.570 0.009 0.000 3.986 203 I HA -0.412 3.758 4.170 -0.000 0.000 0.129 203 I C 0.954 177.075 176.117 0.008 0.000 0.493 203 I CA 2.172 63.477 61.300 0.008 0.000 1.177 203 I CB -1.154 36.850 38.000 0.008 0.000 1.035 203 I HN 0.443 nan 8.210 nan 0.000 0.211 204 D N 0.626 121.030 120.400 0.007 0.000 2.277 204 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 204 D C 1.375 177.679 176.300 0.008 0.000 0.962 204 D CA 0.980 54.984 54.000 0.005 0.000 0.865 204 D CB -0.162 40.640 40.800 0.003 0.000 0.939 204 D HN 0.445 nan 8.370 nan 0.000 0.510 205 D N 0.009 120.415 120.400 0.010 0.000 2.363 205 D HA -0.041 4.599 4.640 -0.000 0.000 0.226 205 D C 0.511 176.823 176.300 0.019 0.000 1.020 205 D CA 0.313 54.321 54.000 0.014 0.000 0.892 205 D CB -0.342 40.468 40.800 0.016 0.000 0.900 205 D HN 0.222 nan 8.370 nan 0.000 0.531 206 T N -0.081 114.483 114.554 0.016 0.000 2.940 206 T HA 0.237 4.587 4.350 -0.000 0.000 0.309 206 T C 0.167 174.878 174.700 0.018 0.000 1.056 206 T CA -0.428 61.683 62.100 0.017 0.000 1.137 206 T CB 1.134 70.009 68.868 0.012 0.000 0.976 206 T HN 0.251 nan 8.240 nan 0.000 0.547 207 E N 1.811 122.025 120.200 0.023 0.000 2.433 207 E HA 0.555 4.905 4.350 -0.000 0.000 0.278 207 E C -1.581 175.032 176.600 0.021 0.000 0.976 207 E CA -1.342 55.072 56.400 0.023 0.000 0.793 207 E CB 1.275 30.996 29.700 0.034 0.000 1.311 207 E HN 0.476 nan 8.360 nan 0.000 0.460 208 L N 1.861 123.095 121.223 0.017 0.000 2.276 208 L HA 0.466 4.806 4.340 -0.000 0.000 0.286 208 L C -0.978 175.905 176.870 0.022 0.000 1.061 208 L CA -0.350 54.497 54.840 0.012 0.000 0.807 208 L CB 0.734 42.796 42.059 0.005 0.000 1.177 208 L HN 0.593 nan 8.230 nan 0.000 0.429 209 I N 5.484 126.066 120.570 0.019 0.000 2.382 209 I HA 0.253 4.422 4.170 -0.000 0.000 0.285 209 I C 0.047 176.169 176.117 0.009 0.000 1.007 209 I CA -0.621 60.698 61.300 0.031 0.000 1.142 209 I CB 1.039 39.064 38.000 0.043 0.000 1.289 209 I HN 0.531 nan 8.210 nan 0.000 0.453 210 K N 5.766 126.173 120.400 0.012 0.000 2.155 210 K HA 0.432 4.752 4.320 -0.000 0.000 0.240 210 K C 0.370 176.970 176.600 0.000 0.000 1.193 210 K CA -0.200 56.086 56.287 -0.003 0.000 1.104 210 K CB 0.381 32.879 32.500 -0.003 0.000 1.558 210 K HN 0.897 nan 8.250 nan 0.000 0.313 211 G N -0.419 108.374 108.800 -0.012 0.000 2.498 211 G HA2 0.207 4.167 3.960 -0.000 0.000 0.181 211 G HA3 0.207 4.167 3.960 -0.000 0.000 0.181 211 G C -1.561 173.308 174.900 -0.052 0.000 1.169 211 G CA -0.632 44.457 45.100 -0.020 0.000 0.992 211 G HN 0.104 nan 8.290 nan 0.000 0.490 212 V N 0.267 120.136 119.914 -0.075 0.000 2.841 212 V HA 0.705 4.825 4.120 -0.000 0.000 0.310 212 V C -1.037 174.956 176.094 -0.168 0.000 1.090 212 V CA -0.667 61.557 62.300 -0.126 0.000 0.930 212 V CB 1.870 33.595 31.823 -0.163 0.000 1.014 212 V HN 0.695 nan 8.190 nan 0.000 0.425 213 L N 4.005 125.100 121.223 -0.213 0.000 2.272 213 L HA 0.667 5.007 4.340 -0.000 0.000 0.289 213 L C -0.446 176.281 176.870 -0.238 0.000 1.032 213 L CA 0.079 54.727 54.840 -0.320 0.000 0.810 213 L CB 1.639 43.465 42.059 -0.388 0.000 1.205 213 L HN 0.541 nan 8.230 nan 0.000 0.422 214 V N 3.016 122.807 119.914 -0.204 0.000 2.417 214 V HA 0.285 4.405 4.120 -0.000 0.000 0.291 214 V C -0.162 175.893 176.094 -0.066 0.000 1.024 214 V CA -0.723 61.504 62.300 -0.122 0.000 0.861 214 V CB 1.542 33.309 31.823 -0.095 0.000 0.985 214 V HN 0.590 nan 8.190 nan 0.000 0.436 215 D N 4.122 124.491 120.400 -0.052 0.000 3.085 215 D HA 0.210 4.850 4.640 -0.000 0.000 0.243 215 D C 0.316 176.625 176.300 0.014 0.000 1.232 215 D CA 0.263 54.249 54.000 -0.024 0.000 0.913 215 D CB 0.010 40.791 40.800 -0.031 0.000 1.108 215 D HN 0.385 nan 8.370 nan 0.000 0.468 216 K N 0.307 120.734 120.400 0.046 0.000 2.263 216 K HA 0.531 4.850 4.320 -0.000 0.000 0.249 216 K C -0.162 176.486 176.600 0.080 0.000 1.076 216 K CA -0.746 55.582 56.287 0.068 0.000 0.884 216 K CB 1.425 33.986 32.500 0.101 0.000 1.394 216 K HN 0.238 nan 8.250 nan 0.000 0.476 217 E N -0.073 120.169 120.200 0.070 0.000 2.356 217 E HA 0.412 4.762 4.350 -0.000 0.000 0.275 217 E C -1.101 175.521 176.600 0.038 0.000 0.904 217 E CA -1.229 55.208 56.400 0.061 0.000 0.757 217 E CB 1.328 31.057 29.700 0.049 0.000 1.232 217 E HN 0.382 nan 8.360 nan 0.000 0.442 218 R N 0.664 121.179 120.500 0.024 0.000 2.481 218 R HA -0.040 4.300 4.340 -0.000 0.000 0.291 218 R C 0.682 176.979 176.300 -0.005 0.000 0.934 218 R CA 0.039 56.134 56.100 -0.009 0.000 1.116 218 R CB -0.037 30.256 30.300 -0.013 0.000 0.895 218 R HN 0.478 nan 8.270 nan 0.000 0.410 219 V N 1.715 121.620 119.914 -0.015 0.000 2.626 219 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 219 V C 0.485 176.576 176.094 -0.006 0.000 1.067 219 V CA 2.112 64.408 62.300 -0.007 0.000 1.081 219 V CB 0.182 31.999 31.823 -0.009 0.000 0.686 219 V HN 0.835 nan 8.190 nan 0.000 0.468 220 S N -1.371 114.323 115.700 -0.010 0.000 2.478 220 S HA 0.657 5.127 4.470 -0.000 0.000 0.312 220 S C 0.866 175.463 174.600 -0.004 0.000 1.094 220 S CA -0.157 58.040 58.200 -0.005 0.000 1.081 220 S CB 1.661 64.858 63.200 -0.005 0.000 1.007 220 S HN 0.545 nan 8.310 nan 0.000 0.475 221 A N 3.617 126.437 122.820 0.001 0.000 2.125 221 A HA -0.063 4.256 4.320 -0.000 0.000 0.219 221 A C 1.835 179.420 177.584 0.001 0.000 1.156 221 A CA 1.218 53.256 52.037 0.002 0.000 0.671 221 A CB -0.414 18.588 19.000 0.003 0.000 0.794 221 A HN 0.872 nan 8.150 nan 0.000 0.459 222 Q N -0.957 118.845 119.800 0.002 0.000 2.432 222 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 222 Q C 0.454 176.451 176.000 -0.006 0.000 0.945 222 Q CA -0.082 55.723 55.803 0.003 0.000 0.924 222 Q CB -0.095 28.652 28.738 0.014 0.000 1.016 222 Q HN 0.707 nan 8.270 nan 0.000 0.503 223 M N 1.648 121.241 119.600 -0.012 0.000 2.198 223 M HA 0.173 4.653 4.480 -0.000 0.000 0.315 223 M C -2.036 174.254 176.300 -0.017 0.000 1.134 223 M CA -1.731 53.556 55.300 -0.021 0.000 1.171 223 M CB 0.062 32.644 32.600 -0.031 0.000 1.413 223 M HN -0.102 nan 8.290 nan 0.000 0.467 224 P HA 0.006 nan 4.420 nan 0.000 0.267 224 P C -0.630 176.664 177.300 -0.010 0.000 1.200 224 P CA 0.295 63.387 63.100 -0.014 0.000 0.772 224 P CB 0.420 32.110 31.700 -0.016 0.000 0.855 225 K N 1.086 121.483 120.400 -0.004 0.000 2.438 225 K HA 0.184 4.504 4.320 -0.000 0.000 0.205 225 K C -0.072 176.531 176.600 0.005 0.000 1.033 225 K CA -0.057 56.231 56.287 0.003 0.000 1.089 225 K CB 0.214 32.716 32.500 0.003 0.000 0.857 225 K HN 0.249 nan 8.250 nan 0.000 0.522 226 K N 0.313 120.714 120.400 0.002 0.000 2.569 226 K HA 0.286 4.606 4.320 -0.000 0.000 0.259 226 K C -1.935 174.669 176.600 0.006 0.000 0.932 226 K CA -0.760 55.531 56.287 0.006 0.000 0.833 226 K CB 2.077 34.575 32.500 -0.003 0.000 1.340 226 K HN -0.135 nan 8.250 nan 0.000 0.429 227 V N 2.316 122.239 119.914 0.015 0.000 2.760 227 V HA 0.492 4.612 4.120 -0.000 0.000 0.309 227 V C -0.493 175.615 176.094 0.022 0.000 1.077 227 V CA -0.751 61.557 62.300 0.014 0.000 0.910 227 V CB 1.955 33.785 31.823 0.013 0.000 1.008 227 V HN 0.964 nan 8.190 nan 0.000 0.424 228 T N -0.617 113.948 114.554 0.017 0.000 2.925 228 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 228 T C -0.108 174.605 174.700 0.022 0.000 1.021 228 T CA -0.508 61.604 62.100 0.020 0.000 1.042 228 T CB 1.419 70.296 68.868 0.014 0.000 1.037 228 T HN 0.713 nan 8.240 nan 0.000 0.481 229 D N -0.182 120.234 120.400 0.026 0.000 2.737 229 D HA -0.171 4.469 4.640 -0.000 0.000 0.233 229 D C 0.583 176.901 176.300 0.029 0.000 1.155 229 D CA 1.034 55.050 54.000 0.027 0.000 0.667 229 D CB -1.443 39.369 40.800 0.020 0.000 1.060 229 D HN 1.050 nan 8.370 nan 0.000 0.427 230 A N 0.239 123.080 122.820 0.036 0.000 2.406 230 A HA 0.267 4.587 4.320 -0.000 0.000 0.243 230 A C 0.786 178.394 177.584 0.041 0.000 1.082 230 A CA 0.289 52.347 52.037 0.036 0.000 0.786 230 A CB 0.794 19.820 19.000 0.045 0.000 1.029 230 A HN 0.083 nan 8.150 nan 0.000 0.495 231 K N 1.468 121.888 120.400 0.034 0.000 2.339 231 K HA 0.476 4.796 4.320 -0.000 0.000 0.264 231 K C -1.274 175.354 176.600 0.046 0.000 0.986 231 K CA -0.066 56.244 56.287 0.038 0.000 0.866 231 K CB 1.316 33.831 32.500 0.025 0.000 1.103 231 K HN 0.624 nan 8.250 nan 0.000 0.441 232 I N 2.389 123.001 120.570 0.071 0.000 2.321 232 I HA 0.267 4.436 4.170 -0.000 0.000 0.291 232 I C 0.046 176.221 176.117 0.097 0.000 0.998 232 I CA -0.673 60.692 61.300 0.107 0.000 1.227 232 I CB 1.716 39.828 38.000 0.186 0.000 1.368 232 I HN 0.504 nan 8.210 nan 0.000 0.466 233 A N 7.679 130.549 122.820 0.084 0.000 2.256 233 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 233 A C -0.792 176.856 177.584 0.107 0.000 1.318 233 A CA -0.459 51.621 52.037 0.071 0.000 0.894 233 A CB 0.353 19.374 19.000 0.036 0.000 1.165 233 A HN 0.575 nan 8.150 nan 0.000 0.525 234 L N 3.052 124.341 121.223 0.111 0.000 2.260 234 L HA 0.367 4.706 4.340 -0.000 0.000 0.289 234 L C -0.178 176.740 176.870 0.080 0.000 1.057 234 L CA 0.391 55.306 54.840 0.125 0.000 0.811 234 L CB 1.050 43.167 42.059 0.097 0.000 1.184 234 L HN 0.623 nan 8.230 nan 0.000 0.429 235 L N 3.797 125.069 121.223 0.081 0.000 2.276 235 L HA 0.345 4.685 4.340 -0.000 0.000 0.286 235 L C 1.005 177.904 176.870 0.049 0.000 1.024 235 L CA -0.364 54.508 54.840 0.054 0.000 0.826 235 L CB 1.182 43.267 42.059 0.044 0.000 1.211 235 L HN 0.601 nan 8.230 nan 0.000 0.422 236 N N 1.495 120.217 118.700 0.036 0.000 2.521 236 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 236 N C 0.247 175.772 175.510 0.025 0.000 1.146 236 N CA 0.083 53.150 53.050 0.029 0.000 0.893 236 N CB 0.114 38.614 38.487 0.022 0.000 0.975 236 N HN 0.513 nan 8.380 nan 0.000 0.451 237 C N -0.124 119.192 119.300 0.026 0.000 2.411 237 C HA 0.788 5.248 4.460 -0.000 0.000 0.358 237 C C 0.020 175.025 174.990 0.024 0.000 1.349 237 C CA -0.628 58.404 59.018 0.022 0.000 2.326 237 C CB 0.348 28.100 27.740 0.021 0.000 2.166 237 C HN 0.419 nan 8.230 nan 0.000 0.609 238 A N 2.507 125.340 122.820 0.022 0.000 2.285 238 A HA 0.636 4.956 4.320 -0.000 0.000 0.310 238 A C -0.454 177.144 177.584 0.024 0.000 1.266 238 A CA -0.372 51.679 52.037 0.023 0.000 0.832 238 A CB 0.129 19.141 19.000 0.020 0.000 1.163 238 A HN 0.755 nan 8.150 nan 0.000 0.499 239 I N 2.817 123.403 120.570 0.026 0.000 2.349 239 I HA 0.080 4.249 4.170 -0.000 0.000 0.302 239 I C 0.552 176.690 176.117 0.034 0.000 1.180 239 I CA -0.060 61.258 61.300 0.031 0.000 1.405 239 I CB -0.166 37.854 38.000 0.033 0.000 1.474 239 I HN 0.609 nan 8.210 nan 0.000 0.632 264 T N -4.330 110.250 114.554 0.044 0.000 3.442 264 T HA 0.694 5.044 4.350 -0.000 0.000 0.135 264 T C 1.012 175.729 174.700 0.028 0.000 0.806 264 T CA 1.827 63.946 62.100 0.031 0.000 0.810 264 T CB 0.307 69.192 68.868 0.029 0.000 1.131 264 T HN 2.154 nan 8.240 nan 0.000 0.264 265 A N -0.004 122.838 122.820 0.035 0.000 2.441 265 A HA 0.690 5.009 4.320 -0.000 0.000 0.209 265 A C 0.471 178.079 177.584 0.040 0.000 1.645 265 A CA 0.562 52.617 52.037 0.030 0.000 1.362 265 A CB -0.093 18.917 19.000 0.016 0.000 1.035 265 A HN 0.653 nan 8.150 nan 0.000 0.487 266 S N 1.368 117.101 115.700 0.056 0.000 3.041 266 S HA 0.283 4.753 4.470 -0.000 0.000 0.250 266 S C 0.355 174.998 174.600 0.072 0.000 0.898 266 S CA 0.778 59.011 58.200 0.055 0.000 1.100 266 S CB -0.593 62.627 63.200 0.035 0.000 1.149 266 S HN 1.193 nan 8.310 nan 0.000 0.540 267 E N 0.306 120.583 120.200 0.128 0.000 2.238 267 E HA -0.257 4.093 4.350 -0.000 0.000 0.219 267 E C 0.173 176.803 176.600 0.051 0.000 1.275 267 E CA 0.883 57.376 56.400 0.155 0.000 0.714 267 E CB -2.030 27.749 29.700 0.132 0.000 1.154 267 E HN 0.682 nan 8.360 nan 0.000 0.363 268 M N 0.288 119.922 119.600 0.057 0.000 2.747 268 M HA 0.008 4.488 4.480 -0.000 0.000 0.221 268 M C 0.504 176.818 176.300 0.023 0.000 1.107 268 M CA 0.459 55.775 55.300 0.026 0.000 1.031 268 M CB 0.193 32.810 32.600 0.029 0.000 1.727 268 M HN 0.316 nan 8.290 nan 0.000 0.517 269 L N -1.634 119.607 121.223 0.031 0.000 2.878 269 L HA 0.167 4.507 4.340 -0.000 0.000 0.253 269 L C 1.552 178.366 176.870 -0.093 0.000 1.135 269 L CA 0.669 55.541 54.840 0.054 0.000 0.943 269 L CB -0.546 41.642 42.059 0.215 0.000 1.307 269 L HN 0.174 nan 8.230 nan 0.000 0.545 270 K N 0.349 120.560 120.400 -0.314 0.000 2.283 270 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 270 K C 1.220 177.703 176.600 -0.194 0.000 1.048 270 K CA 0.999 57.028 56.287 -0.429 0.000 0.948 270 K CB 0.238 32.444 32.500 -0.490 0.000 0.742 270 K HN 0.241 nan 8.250 nan 0.000 0.458 271 D N 1.130 121.460 120.400 -0.118 0.000 2.077 271 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 271 D C 1.818 178.091 176.300 -0.044 0.000 0.983 271 D CA 1.401 55.362 54.000 -0.065 0.000 0.841 271 D CB -0.283 40.493 40.800 -0.040 0.000 0.992 271 D HN 0.077 nan 8.370 nan 0.000 0.450 272 M N 0.325 119.910 119.600 -0.024 0.000 2.144 272 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 272 M C 2.176 178.472 176.300 -0.005 0.000 1.067 272 M CA 0.980 56.277 55.300 -0.005 0.000 1.095 272 M CB -0.102 32.507 32.600 0.016 0.000 1.365 272 M HN -0.103 nan 8.290 nan 0.000 0.406 273 V N -0.537 119.368 119.914 -0.014 0.000 2.719 273 V HA -0.087 4.033 4.120 -0.000 0.000 0.252 273 V C 2.201 178.277 176.094 -0.029 0.000 1.065 273 V CA 1.647 63.944 62.300 -0.005 0.000 1.086 273 V CB -0.714 31.125 31.823 0.027 0.000 0.700 273 V HN 0.504 nan 8.190 nan 0.000 0.467 274 A N -0.754 122.034 122.820 -0.052 0.000 2.220 274 A HA 0.095 4.415 4.320 -0.000 0.000 0.211 274 A C 1.949 179.514 177.584 -0.032 0.000 1.176 274 A CA 0.237 52.245 52.037 -0.049 0.000 0.834 274 A CB -0.090 18.868 19.000 -0.069 0.000 0.868 274 A HN 0.530 nan 8.150 nan 0.000 0.488 275 E N -0.104 120.081 120.200 -0.026 0.000 2.216 275 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 275 E C 1.380 177.974 176.600 -0.010 0.000 0.988 275 E CA 0.747 57.137 56.400 -0.017 0.000 0.834 275 E CB -0.089 29.603 29.700 -0.013 0.000 0.772 275 E HN 0.693 nan 8.360 nan 0.000 0.479 276 I N 0.932 121.496 120.570 -0.009 0.000 2.480 276 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 276 I C 2.421 178.533 176.117 -0.008 0.000 1.124 276 I CA 0.717 62.014 61.300 -0.005 0.000 1.444 276 I CB -0.007 37.991 38.000 -0.004 0.000 1.098 276 I HN -0.076 nan 8.210 nan 0.000 0.428 277 K N 1.538 121.930 120.400 -0.013 0.000 2.439 277 K HA -0.030 4.290 4.320 -0.000 0.000 0.197 277 K C 1.997 178.590 176.600 -0.012 0.000 1.041 277 K CA 0.847 57.126 56.287 -0.014 0.000 0.970 277 K CB 0.119 32.608 32.500 -0.019 0.000 0.773 277 K HN 0.282 nan 8.250 nan 0.000 0.479 278 A N 0.728 123.541 122.820 -0.012 0.000 1.968 278 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 278 A C 1.956 179.537 177.584 -0.006 0.000 1.169 278 A CA 1.685 53.716 52.037 -0.010 0.000 0.638 278 A CB -0.288 18.705 19.000 -0.011 0.000 0.812 278 A HN 0.442 nan 8.150 nan 0.000 0.446 279 S N -2.131 113.567 115.700 -0.003 0.000 2.496 279 S HA 0.375 4.845 4.470 -0.000 0.000 0.224 279 S C 1.349 175.950 174.600 0.002 0.000 0.996 279 S CA 0.977 59.177 58.200 0.001 0.000 0.927 279 S CB -0.097 63.106 63.200 0.004 0.000 0.774 279 S HN 1.854 nan 8.310 nan 0.000 0.524 280 G N 0.671 109.471 108.800 -0.001 0.000 2.131 280 G HA2 0.038 3.998 3.960 -0.000 0.000 0.201 280 G HA3 0.038 3.998 3.960 -0.000 0.000 0.201 280 G C 0.019 174.920 174.900 0.002 0.000 1.000 280 G CA -0.306 44.794 45.100 0.000 0.000 0.680 280 G HN 1.180 nan 8.290 nan 0.000 0.514 281 A N 0.533 123.353 122.820 0.000 0.000 2.269 281 A HA 0.642 4.962 4.320 -0.000 0.000 0.302 281 A C 1.001 178.579 177.584 -0.011 0.000 1.266 281 A CA 0.250 52.287 52.037 0.001 0.000 0.894 281 A CB 0.268 19.270 19.000 0.005 0.000 1.147 281 A HN 0.888 nan 8.150 nan 0.000 0.537 282 N N 1.677 120.371 118.700 -0.010 0.000 2.270 282 N HA 0.165 4.905 4.740 -0.000 0.000 0.198 282 N C -0.569 174.916 175.510 -0.042 0.000 1.117 282 N CA 0.051 53.088 53.050 -0.021 0.000 0.845 282 N CB 0.432 38.912 38.487 -0.012 0.000 0.980 282 N HN 0.212 nan 8.380 nan 0.000 0.486 283 V N 0.654 120.537 119.914 -0.052 0.000 2.851 283 V HA 0.486 4.606 4.120 -0.000 0.000 0.307 283 V C -1.634 174.374 176.094 -0.143 0.000 1.129 283 V CA -1.015 61.212 62.300 -0.122 0.000 0.932 283 V CB 2.341 34.117 31.823 -0.079 0.000 1.024 283 V HN 0.163 nan 8.190 nan 0.000 0.426 284 L N 4.664 125.716 121.223 -0.285 0.000 2.476 284 L HA 0.729 5.069 4.340 -0.000 0.000 0.269 284 L C -1.873 174.788 176.870 -0.349 0.000 0.965 284 L CA 0.096 54.816 54.840 -0.200 0.000 0.845 284 L CB 1.692 43.691 42.059 -0.100 0.000 1.259 284 L HN 0.470 nan 8.230 nan 0.000 0.403 285 F N 4.827 124.784 119.950 0.011 0.000 2.361 285 F HA 0.498 5.025 4.527 0.000 0.000 0.364 285 F C 0.191 175.996 175.800 0.008 0.000 1.117 285 F CA -0.325 57.681 58.000 0.009 0.000 1.071 285 F CB 1.396 40.400 39.000 0.007 0.000 1.188 285 F HN 0.486 nan 8.300 nan 0.000 0.464 286 C N 4.162 123.549 119.300 0.144 0.000 2.329 286 C HA 0.221 4.681 4.460 -0.000 0.000 0.329 286 C C 1.588 176.631 174.990 0.088 0.000 1.275 286 C CA -0.349 58.724 59.018 0.092 0.000 1.726 286 C CB 0.885 28.654 27.740 0.049 0.000 2.291 286 C HN 1.036 nan 8.230 nan 0.000 0.514 287 Q N 3.104 122.944 119.800 0.067 0.000 2.212 287 Q HA 0.010 4.350 4.340 -0.000 0.000 0.199 287 Q C 0.955 176.977 176.000 0.037 0.000 0.950 287 Q CA 1.105 56.938 55.803 0.049 0.000 0.863 287 Q CB 0.228 28.988 28.738 0.036 0.000 0.944 287 Q HN 0.629 nan 8.270 nan 0.000 0.465 288 K N -0.016 120.405 120.400 0.034 0.000 2.836 288 K HA 0.379 4.699 4.320 -0.000 0.000 0.300 288 K C 0.190 176.807 176.600 0.027 0.000 1.004 288 K CA 0.011 56.314 56.287 0.027 0.000 1.140 288 K CB -0.577 31.936 32.500 0.023 0.000 1.458 288 K HN 0.149 nan 8.250 nan 0.000 0.550 289 G N 0.344 109.158 108.800 0.023 0.000 2.400 289 G HA2 0.541 4.501 3.960 -0.000 0.000 0.301 289 G HA3 0.541 4.501 3.960 -0.000 0.000 0.301 289 G C -0.486 174.427 174.900 0.022 0.000 1.154 289 G CA -0.599 44.514 45.100 0.021 0.000 0.852 289 G HN 0.299 nan 8.290 nan 0.000 0.511 290 I N 1.955 122.537 120.570 0.019 0.000 2.390 290 I HA 0.133 4.303 4.170 -0.000 0.000 0.283 290 I C -0.002 176.125 176.117 0.017 0.000 1.016 290 I CA -0.695 60.617 61.300 0.020 0.000 1.151 290 I CB 1.370 39.379 38.000 0.015 0.000 1.293 290 I HN 0.426 nan 8.210 nan 0.000 0.458 291 D N 4.451 124.864 120.400 0.022 0.000 2.364 291 D HA -0.081 4.559 4.640 -0.000 0.000 0.236 291 D C 0.583 176.888 176.300 0.008 0.000 1.221 291 D CA 0.312 54.323 54.000 0.017 0.000 0.891 291 D CB 1.174 41.990 40.800 0.026 0.000 1.190 291 D HN 0.472 nan 8.370 nan 0.000 0.449 292 D N 1.504 121.901 120.400 -0.005 0.000 2.310 292 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 292 D C 1.802 178.071 176.300 -0.052 0.000 0.965 292 D CA 0.378 54.364 54.000 -0.024 0.000 0.879 292 D CB 0.168 40.950 40.800 -0.030 0.000 0.921 292 D HN 0.353 nan 8.370 nan 0.000 0.510 293 L N 0.223 121.417 121.223 -0.048 0.000 2.095 293 L HA 0.010 4.350 4.340 -0.000 0.000 0.204 293 L C 2.000 178.792 176.870 -0.130 0.000 1.080 293 L CA 0.742 55.510 54.840 -0.120 0.000 0.759 293 L CB -0.099 41.959 42.059 -0.002 0.000 0.914 293 L HN -0.054 nan 8.230 nan 0.000 0.439 294 A N -1.308 121.545 122.820 0.054 0.000 2.259 294 A HA -0.060 4.260 4.320 -0.000 0.000 0.208 294 A C 1.891 179.508 177.584 0.056 0.000 1.201 294 A CA 0.421 52.541 52.037 0.139 0.000 0.824 294 A CB -0.170 18.909 19.000 0.131 0.000 0.838 294 A HN 0.472 nan 8.150 nan 0.000 0.485 295 Q N -1.749 118.052 119.800 0.001 0.000 2.373 295 Q HA -0.021 4.318 4.340 -0.000 0.000 0.210 295 Q C 1.844 177.838 176.000 -0.010 0.000 0.913 295 Q CA 0.647 56.448 55.803 -0.004 0.000 0.911 295 Q CB -0.072 28.663 28.738 -0.005 0.000 1.040 295 Q HN 0.947 nan 8.270 nan 0.000 0.521 296 H N -0.667 118.301 119.070 -0.169 0.000 2.448 296 H HA -0.058 4.498 4.556 -0.000 0.000 0.292 296 H C 0.945 176.194 175.328 -0.132 0.000 1.035 296 H CA 0.942 56.870 56.048 -0.200 0.000 1.349 296 H CB 0.386 29.956 29.762 -0.319 0.000 1.425 296 H HN 0.220 nan 8.280 nan 0.000 0.539 297 Y N 0.733 120.931 120.300 -0.171 0.000 2.395 297 Y HA -0.034 4.516 4.550 -0.000 0.000 0.293 297 Y C 2.646 178.456 175.900 -0.151 0.000 1.123 297 Y CA 0.373 58.352 58.100 -0.202 0.000 1.227 297 Y CB -0.251 38.170 38.460 -0.066 0.000 1.012 297 Y HN 0.150 nan 8.280 nan 0.000 0.552 298 L N -1.148 120.092 121.223 0.028 0.000 2.068 298 L HA -0.093 4.247 4.340 -0.000 0.000 0.204 298 L C 2.647 179.491 176.870 -0.043 0.000 1.076 298 L CA 0.978 55.814 54.840 -0.006 0.000 0.753 298 L CB -0.802 41.252 42.059 -0.008 0.000 0.910 298 L HN 0.146 nan 8.230 nan 0.000 0.439 299 A N -0.003 122.779 122.820 -0.062 0.000 1.948 299 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 299 A C 2.335 179.873 177.584 -0.077 0.000 1.177 299 A CA 2.064 54.065 52.037 -0.060 0.000 0.636 299 A CB -0.480 18.495 19.000 -0.043 0.000 0.815 299 A HN 0.309 nan 8.150 nan 0.000 0.449 300 K N -0.832 119.485 120.400 -0.138 0.000 2.211 300 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 300 K C 1.534 178.098 176.600 -0.061 0.000 1.050 300 K CA 1.193 57.403 56.287 -0.128 0.000 0.945 300 K CB 0.025 32.389 32.500 -0.227 0.000 0.732 300 K HN 0.444 nan 8.250 nan 0.000 0.451 301 E N -1.149 119.023 120.200 -0.047 0.000 2.318 301 E HA 0.010 4.360 4.350 -0.000 0.000 0.193 301 E C 1.048 177.632 176.600 -0.027 0.000 0.998 301 E CA 0.920 57.302 56.400 -0.030 0.000 0.859 301 E CB 0.832 30.519 29.700 -0.023 0.000 0.812 301 E HN 0.512 nan 8.360 nan 0.000 0.492 302 G N 1.585 110.367 108.800 -0.030 0.000 2.163 302 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.213 302 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.213 302 G C 0.275 175.157 174.900 -0.030 0.000 0.991 302 G CA 0.015 45.099 45.100 -0.026 0.000 0.653 302 G HN 0.186 nan 8.290 nan 0.000 0.518 303 I N 1.842 122.391 120.570 -0.036 0.000 2.342 303 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 303 I C 0.858 176.937 176.117 -0.064 0.000 1.010 303 I CA -1.082 60.190 61.300 -0.047 0.000 1.308 303 I CB 1.458 39.433 38.000 -0.042 0.000 1.400 303 I HN -0.085 nan 8.210 nan 0.000 0.488 304 V N 5.083 124.945 119.914 -0.087 0.000 2.607 304 V HA 0.764 4.884 4.120 -0.000 0.000 0.289 304 V C 0.421 176.399 176.094 -0.193 0.000 1.053 304 V CA -0.435 61.794 62.300 -0.117 0.000 0.996 304 V CB 1.058 32.815 31.823 -0.111 0.000 0.995 304 V HN 0.897 nan 8.190 nan 0.000 0.476 305 A N 2.996 125.705 122.820 -0.184 0.000 2.549 305 A HA 0.953 5.273 4.320 -0.000 0.000 0.297 305 A C -0.624 176.858 177.584 -0.170 0.000 1.061 305 A CA -0.232 51.674 52.037 -0.219 0.000 0.690 305 A CB 1.894 20.821 19.000 -0.122 0.000 1.287 305 A HN 1.677 nan 8.150 nan 0.000 0.402 306 A N 1.723 124.442 122.820 -0.169 0.000 2.374 306 A HA 0.782 5.102 4.320 -0.000 0.000 0.305 306 A C -0.100 177.506 177.584 0.037 0.000 1.053 306 A CA -0.667 51.357 52.037 -0.021 0.000 0.726 306 A CB 0.956 20.005 19.000 0.082 0.000 1.229 306 A HN 1.230 nan 8.150 nan 0.000 0.431 307 R N 2.245 122.768 120.500 0.038 0.000 2.598 307 R HA 0.619 4.959 4.340 -0.000 0.000 0.279 307 R C -0.634 175.697 176.300 0.051 0.000 0.984 307 R CA -0.465 55.660 56.100 0.041 0.000 0.999 307 R CB 0.585 30.900 30.300 0.025 0.000 1.114 307 R HN 0.786 nan 8.270 nan 0.000 0.493 308 R N 0.475 121.003 120.500 0.048 0.000 3.267 308 R HA -0.108 4.232 4.340 -0.000 0.000 0.254 308 R C -0.604 175.723 176.300 0.046 0.000 0.993 308 R CA 0.670 56.794 56.100 0.040 0.000 0.670 308 R CB -1.924 28.393 30.300 0.028 0.000 1.125 308 R HN 0.466 nan 8.270 nan 0.000 0.434 309 V N 2.049 122.001 119.914 0.063 0.000 2.583 309 V HA 0.077 4.197 4.120 -0.000 0.000 0.287 309 V C 1.278 177.385 176.094 0.021 0.000 1.051 309 V CA -0.378 61.955 62.300 0.054 0.000 1.010 309 V CB 1.362 33.236 31.823 0.086 0.000 0.988 309 V HN 0.116 nan 8.190 nan 0.000 0.478 310 K N 3.497 123.899 120.400 0.002 0.000 2.569 310 K HA -0.113 4.207 4.320 -0.000 0.000 0.280 310 K C 1.278 177.870 176.600 -0.013 0.000 0.984 310 K CA 0.369 56.651 56.287 -0.009 0.000 1.064 310 K CB 0.422 32.909 32.500 -0.021 0.000 0.866 310 K HN 0.652 nan 8.250 nan 0.000 0.492 311 K N 1.989 122.384 120.400 -0.009 0.000 2.103 311 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 311 K C 1.836 178.423 176.600 -0.021 0.000 1.048 311 K CA 1.929 58.210 56.287 -0.010 0.000 0.930 311 K CB 0.025 32.522 32.500 -0.005 0.000 0.716 311 K HN 0.642 nan 8.250 nan 0.000 0.444 312 S N 0.488 116.172 115.700 -0.025 0.000 2.382 312 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 312 S C 1.533 176.102 174.600 -0.052 0.000 1.027 312 S CA 1.403 59.583 58.200 -0.034 0.000 0.991 312 S CB -0.287 62.894 63.200 -0.032 0.000 0.823 312 S HN 0.295 nan 8.310 nan 0.000 0.469 313 D N 0.633 120.996 120.400 -0.061 0.000 2.348 313 D HA 0.116 4.756 4.640 -0.000 0.000 0.216 313 D C 1.647 177.875 176.300 -0.121 0.000 0.970 313 D CA 0.584 54.525 54.000 -0.099 0.000 0.889 313 D CB -0.054 40.684 40.800 -0.102 0.000 0.912 313 D HN 0.354 nan 8.370 nan 0.000 0.524 314 M N -0.187 119.368 119.600 -0.076 0.000 2.357 314 M HA 0.020 4.500 4.480 -0.000 0.000 0.266 314 M C 1.775 178.041 176.300 -0.056 0.000 1.095 314 M CA 0.873 56.136 55.300 -0.062 0.000 1.156 314 M CB -0.527 32.061 32.600 -0.020 0.000 1.365 314 M HN -0.004 nan 8.290 nan 0.000 0.447 315 E N 0.122 120.295 120.200 -0.046 0.000 2.107 315 E HA -0.103 4.246 4.350 -0.000 0.000 0.191 315 E C 2.042 178.612 176.600 -0.049 0.000 0.982 315 E CA 0.608 56.986 56.400 -0.037 0.000 0.809 315 E CB 0.048 29.731 29.700 -0.028 0.000 0.756 315 E HN 0.278 nan 8.360 nan 0.000 0.459 316 K N 0.751 121.110 120.400 -0.068 0.000 2.063 316 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 316 K C 2.175 178.718 176.600 -0.094 0.000 1.048 316 K CA 1.024 57.262 56.287 -0.080 0.000 0.928 316 K CB -0.298 32.142 32.500 -0.100 0.000 0.713 316 K HN 0.211 nan 8.250 nan 0.000 0.442 317 L N 0.332 121.478 121.223 -0.127 0.000 2.109 317 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 317 L C 2.564 179.394 176.870 -0.068 0.000 1.086 317 L CA 0.840 55.594 54.840 -0.143 0.000 0.760 317 L CB -0.518 41.386 42.059 -0.258 0.000 0.910 317 L HN 0.088 nan 8.230 nan 0.000 0.437 318 A N 0.702 123.494 122.820 -0.047 0.000 1.892 318 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 318 A C 2.303 179.882 177.584 -0.009 0.000 1.188 318 A CA 2.079 54.106 52.037 -0.016 0.000 0.631 318 A CB -0.331 18.662 19.000 -0.012 0.000 0.822 318 A HN 0.401 nan 8.150 nan 0.000 0.447 319 K N -0.725 119.665 120.400 -0.017 0.000 2.098 319 K HA 0.226 4.546 4.320 -0.000 0.000 0.203 319 K C 2.281 178.880 176.600 -0.001 0.000 1.051 319 K CA 0.842 57.126 56.287 -0.005 0.000 0.957 319 K CB -0.225 32.268 32.500 -0.012 0.000 0.738 319 K HN 0.371 nan 8.250 nan 0.000 0.447 320 A N 1.654 124.463 122.820 -0.019 0.000 1.929 320 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 320 A C 2.274 179.861 177.584 0.004 0.000 1.176 320 A CA 1.952 53.979 52.037 -0.017 0.000 0.628 320 A CB -0.824 18.153 19.000 -0.038 0.000 0.816 320 A HN 0.442 nan 8.150 nan 0.000 0.444 321 T N -4.524 110.034 114.554 0.008 0.000 3.009 321 T HA 0.390 4.740 4.350 -0.000 0.000 0.258 321 T C 1.342 176.067 174.700 0.041 0.000 1.063 321 T CA 1.157 63.274 62.100 0.028 0.000 1.139 321 T CB -0.068 68.820 68.868 0.033 0.000 0.890 321 T HN 1.709 nan 8.240 nan 0.000 0.471 322 G N 1.190 110.012 108.800 0.036 0.000 2.215 322 G HA2 0.216 4.176 3.960 -0.000 0.000 0.198 322 G HA3 0.216 4.176 3.960 -0.000 0.000 0.198 322 G C 0.105 175.024 174.900 0.031 0.000 1.047 322 G CA -0.123 45.001 45.100 0.039 0.000 0.747 322 G HN 0.985 nan 8.290 nan 0.000 0.495 323 A N -0.370 122.467 122.820 0.028 0.000 2.580 323 A HA 0.913 5.233 4.320 -0.000 0.000 0.275 323 A C 0.280 177.878 177.584 0.024 0.000 1.321 323 A CA -0.637 51.419 52.037 0.030 0.000 0.924 323 A CB 0.901 19.925 19.000 0.041 0.000 1.512 323 A HN 0.433 nan 8.150 nan 0.000 0.492 324 N N -0.882 117.834 118.700 0.027 0.000 2.369 324 N HA 0.319 5.059 4.740 -0.000 0.000 0.287 324 N C -1.720 173.804 175.510 0.025 0.000 1.067 324 N CA -0.334 52.728 53.050 0.021 0.000 0.888 324 N CB 2.105 40.603 38.487 0.019 0.000 1.616 324 N HN 0.242 nan 8.380 nan 0.000 0.482 325 V N 3.831 123.756 119.914 0.020 0.000 2.370 325 V HA 0.207 4.327 4.120 -0.000 0.000 0.257 325 V C 0.451 176.557 176.094 0.020 0.000 1.064 325 V CA -0.093 62.220 62.300 0.021 0.000 0.975 325 V CB -0.222 31.610 31.823 0.015 0.000 1.067 325 V HN 0.454 nan 8.190 nan 0.000 0.485 326 I N 4.881 125.465 120.570 0.024 0.000 2.331 326 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 326 I C 1.352 177.481 176.117 0.020 0.000 0.998 326 I CA 0.258 61.571 61.300 0.021 0.000 1.267 326 I CB 1.446 39.459 38.000 0.021 0.000 1.386 326 I HN 0.499 nan 8.210 nan 0.000 0.476 327 T N 4.154 118.718 114.554 0.016 0.000 3.009 327 T HA -0.017 4.333 4.350 -0.000 0.000 0.258 327 T C 0.934 175.642 174.700 0.014 0.000 1.063 327 T CA 0.671 62.780 62.100 0.015 0.000 1.139 327 T CB -0.141 68.734 68.868 0.012 0.000 0.890 327 T HN 0.405 nan 8.240 nan 0.000 0.471 328 N N 1.444 120.151 118.700 0.012 0.000 2.462 328 N HA 0.251 4.991 4.740 -0.000 0.000 0.242 328 N C 0.647 176.163 175.510 0.011 0.000 1.010 328 N CA -0.326 52.731 53.050 0.011 0.000 0.939 328 N CB 0.456 38.948 38.487 0.008 0.000 1.127 328 N HN 0.164 nan 8.380 nan 0.000 0.509 329 I N 3.234 123.811 120.570 0.011 0.000 2.567 329 I HA -0.218 3.952 4.170 -0.000 0.000 0.257 329 I C 1.442 177.562 176.117 0.007 0.000 1.184 329 I CA 1.134 62.441 61.300 0.011 0.000 1.451 329 I CB 0.255 38.262 38.000 0.011 0.000 1.089 329 I HN 0.429 nan 8.210 nan 0.000 0.441 330 K N 0.128 120.532 120.400 0.005 0.000 2.057 330 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 330 K C 1.170 177.772 176.600 0.003 0.000 1.050 330 K CA 1.486 57.775 56.287 0.002 0.000 0.935 330 K CB -0.600 31.901 32.500 0.002 0.000 0.715 330 K HN 0.346 nan 8.250 nan 0.000 0.439 331 D N 0.916 121.319 120.400 0.005 0.000 2.344 331 D HA -0.030 4.610 4.640 -0.000 0.000 0.242 331 D C -0.520 175.784 176.300 0.007 0.000 1.159 331 D CA -0.088 53.915 54.000 0.005 0.000 0.859 331 D CB -0.097 40.706 40.800 0.006 0.000 0.925 331 D HN -0.139 nan 8.370 nan 0.000 0.510 332 L N 0.940 122.167 121.223 0.007 0.000 2.462 332 L HA 0.200 4.540 4.340 -0.000 0.000 0.283 332 L C 0.248 177.123 176.870 0.007 0.000 1.166 332 L CA 0.145 54.990 54.840 0.009 0.000 0.964 332 L CB -0.249 41.815 42.059 0.010 0.000 1.294 332 L HN -0.153 nan 8.230 nan 0.000 0.449 333 S N 2.858 118.563 115.700 0.008 0.000 2.606 333 S HA 0.424 4.894 4.470 -0.000 0.000 0.257 333 S C 1.287 175.891 174.600 0.008 0.000 1.327 333 S CA 0.110 58.314 58.200 0.006 0.000 0.984 333 S CB 1.013 64.217 63.200 0.006 0.000 0.941 333 S HN 0.779 nan 8.310 nan 0.000 0.576 334 A N 1.108 123.931 122.820 0.006 0.000 2.275 334 A HA 0.241 4.561 4.320 -0.000 0.000 0.212 334 A C 1.100 178.689 177.584 0.009 0.000 1.201 334 A CA 0.154 52.195 52.037 0.007 0.000 0.843 334 A CB -0.151 18.852 19.000 0.004 0.000 0.873 334 A HN 0.704 nan 8.150 nan 0.000 0.492 335 Q N -0.251 119.555 119.800 0.009 0.000 2.171 335 Q HA 0.126 4.466 4.340 -0.000 0.000 0.218 335 Q C -0.278 175.730 176.000 0.013 0.000 0.822 335 Q CA 0.129 55.938 55.803 0.010 0.000 0.987 335 Q CB 0.621 29.362 28.738 0.006 0.000 1.144 335 Q HN 0.369 nan 8.270 nan 0.000 0.494 336 D N -0.023 120.386 120.400 0.015 0.000 2.325 336 D HA 0.084 4.724 4.640 -0.000 0.000 0.225 336 D C -0.268 176.049 176.300 0.028 0.000 1.096 336 D CA 0.234 54.245 54.000 0.020 0.000 0.844 336 D CB 0.358 41.170 40.800 0.019 0.000 0.925 336 D HN 0.239 nan 8.370 nan 0.000 0.513 337 L N 0.338 121.577 121.223 0.028 0.000 2.307 337 L HA 0.510 4.850 4.340 -0.000 0.000 0.282 337 L C 1.345 178.238 176.870 0.039 0.000 1.051 337 L CA -0.897 53.965 54.840 0.037 0.000 0.804 337 L CB 1.622 43.700 42.059 0.031 0.000 1.197 337 L HN -0.086 nan 8.230 nan 0.000 0.431 338 G N 0.859 109.690 108.800 0.051 0.000 2.508 338 G HA2 0.313 4.272 3.960 -0.000 0.000 0.278 338 G HA3 0.313 4.272 3.960 -0.000 0.000 0.278 338 G C -1.401 173.529 174.900 0.050 0.000 1.389 338 G CA -0.077 45.053 45.100 0.049 0.000 1.050 338 G HN 0.645 nan 8.290 nan 0.000 0.522 339 D N -1.527 118.903 120.400 0.051 0.000 2.763 339 D HA 0.556 5.195 4.640 -0.000 0.000 0.235 339 D C -0.553 175.779 176.300 0.053 0.000 1.334 339 D CA -0.111 53.919 54.000 0.049 0.000 0.950 339 D CB 1.506 42.330 40.800 0.040 0.000 1.433 339 D HN 0.560 nan 8.370 nan 0.000 0.580 340 A N 1.930 124.786 122.820 0.060 0.000 2.371 340 A HA 0.644 4.964 4.320 -0.000 0.000 0.311 340 A C 1.042 178.659 177.584 0.055 0.000 1.068 340 A CA -0.433 51.640 52.037 0.060 0.000 0.744 340 A CB 1.603 20.648 19.000 0.075 0.000 1.239 340 A HN 0.586 nan 8.150 nan 0.000 0.435 341 G N 0.429 109.258 108.800 0.048 0.000 2.990 341 G HA2 0.397 4.357 3.960 -0.000 0.000 0.206 341 G HA3 0.397 4.357 3.960 -0.000 0.000 0.206 341 G C 0.060 174.985 174.900 0.042 0.000 1.169 341 G CA 0.675 45.799 45.100 0.040 0.000 0.819 341 G HN 0.898 nan 8.290 nan 0.000 0.517 342 L N -0.426 120.830 121.223 0.055 0.000 2.830 342 L HA 0.334 4.674 4.340 -0.000 0.000 0.259 342 L C -1.782 175.142 176.870 0.090 0.000 0.926 342 L CA -0.692 54.184 54.840 0.059 0.000 0.993 342 L CB 1.933 44.021 42.059 0.049 0.000 1.589 342 L HN -0.175 nan 8.230 nan 0.000 0.460 343 V N 3.508 123.477 119.914 0.091 0.000 2.409 343 V HA 0.561 4.681 4.120 -0.000 0.000 0.290 343 V C -0.538 175.622 176.094 0.109 0.000 1.017 343 V CA -0.421 61.958 62.300 0.132 0.000 0.841 343 V CB 1.634 33.542 31.823 0.141 0.000 1.003 343 V HN 0.730 nan 8.190 nan 0.000 0.426 344 E N 3.005 123.291 120.200 0.142 0.000 2.314 344 E HA 0.443 4.793 4.350 -0.000 0.000 0.272 344 E C -1.157 175.531 176.600 0.147 0.000 0.884 344 E CA -0.696 55.759 56.400 0.092 0.000 0.753 344 E CB 2.540 32.248 29.700 0.013 0.000 1.213 344 E HN 0.740 nan 8.360 nan 0.000 0.432 345 E N 3.810 124.068 120.200 0.096 0.000 2.130 345 E HA 0.235 4.585 4.350 -0.000 0.000 0.284 345 E C -0.804 175.830 176.600 0.058 0.000 1.018 345 E CA -0.280 56.193 56.400 0.120 0.000 0.817 345 E CB 0.730 30.480 29.700 0.082 0.000 1.078 345 E HN 0.322 nan 8.360 nan 0.000 0.396 346 R N 3.401 123.951 120.500 0.083 0.000 2.778 346 R HA 0.390 4.730 4.340 -0.000 0.000 0.277 346 R C -0.508 175.840 176.300 0.080 0.000 0.977 346 R CA -0.938 55.139 56.100 -0.038 0.000 0.950 346 R CB 1.760 31.831 30.300 -0.382 0.000 1.165 346 R HN 0.288 nan 8.270 nan 0.000 0.474 347 K N 1.909 122.327 120.400 0.030 0.000 2.253 347 K HA 0.327 4.647 4.320 -0.000 0.000 0.277 347 K C -0.922 175.712 176.600 0.056 0.000 1.053 347 K CA -0.411 55.910 56.287 0.057 0.000 0.892 347 K CB 0.865 33.384 32.500 0.031 0.000 1.102 347 K HN 0.255 nan 8.250 nan 0.000 0.469 348 I N 2.307 122.946 120.570 0.115 0.000 2.439 348 I HA 0.032 4.202 4.170 -0.000 0.000 0.283 348 I C 0.053 176.222 176.117 0.087 0.000 1.023 348 I CA 0.457 61.827 61.300 0.117 0.000 1.100 348 I CB 1.651 39.803 38.000 0.253 0.000 1.238 348 I HN 0.720 nan 8.210 nan 0.000 0.445 349 S N 4.644 120.375 115.700 0.052 0.000 3.748 349 S HA -0.142 4.328 4.470 -0.000 0.000 0.329 349 S C 1.092 175.709 174.600 0.029 0.000 1.104 349 S CA 1.552 59.773 58.200 0.035 0.000 0.954 349 S CB -1.429 61.791 63.200 0.033 0.000 0.910 349 S HN 2.029 nan 8.310 nan 0.000 0.494 350 G N 0.342 109.160 108.800 0.030 0.000 3.757 350 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.215 350 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.215 350 G C -0.299 174.620 174.900 0.032 0.000 1.411 350 G CA 0.277 45.391 45.100 0.025 0.000 0.896 350 G HN 0.795 nan 8.290 nan 0.000 0.581 351 D N 1.839 122.260 120.400 0.036 0.000 2.423 351 D HA 0.476 5.116 4.640 -0.000 0.000 0.238 351 D C 0.806 177.146 176.300 0.066 0.000 1.142 351 D CA 0.968 54.992 54.000 0.041 0.000 0.884 351 D CB 1.311 42.130 40.800 0.032 0.000 1.199 351 D HN 0.789 nan 8.370 nan 0.000 0.438 352 S N 1.137 116.877 115.700 0.066 0.000 2.433 352 S HA 0.682 5.151 4.470 -0.000 0.000 0.310 352 S C -0.154 174.513 174.600 0.111 0.000 1.097 352 S CA -0.894 57.362 58.200 0.094 0.000 1.103 352 S CB 0.902 64.144 63.200 0.069 0.000 0.992 352 S HN 0.355 nan 8.310 nan 0.000 0.469 353 M N 2.585 122.296 119.600 0.186 0.000 2.690 353 M HA 0.536 5.016 4.480 -0.000 0.000 0.302 353 M C -0.943 175.514 176.300 0.261 0.000 1.234 353 M CA -0.750 54.639 55.300 0.148 0.000 0.853 353 M CB 2.130 34.732 32.600 0.003 0.000 1.748 353 M HN 0.572 nan 8.290 nan 0.000 0.469 354 I N 2.199 122.871 120.570 0.170 0.000 2.310 354 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 354 I C -1.159 175.089 176.117 0.217 0.000 1.073 354 I CA -0.316 61.136 61.300 0.254 0.000 1.216 354 I CB 0.072 38.237 38.000 0.274 0.000 1.415 354 I HN 0.377 nan 8.210 nan 0.000 0.480 355 F N 5.609 125.600 119.950 0.068 0.000 2.467 355 F HA 0.174 4.701 4.527 -0.000 0.000 0.362 355 F C 0.732 176.572 175.800 0.066 0.000 1.090 355 F CA -0.363 57.665 58.000 0.047 0.000 1.202 355 F CB 0.833 39.852 39.000 0.031 0.000 1.113 355 F HN 0.074 nan 8.300 nan 0.000 0.541 356 V N 4.402 124.412 119.914 0.159 0.000 2.435 356 V HA 0.139 4.259 4.120 -0.000 0.000 0.263 356 V C 0.232 176.383 176.094 0.094 0.000 1.087 356 V CA -0.510 61.866 62.300 0.127 0.000 1.253 356 V CB -0.838 31.018 31.823 0.054 0.000 1.462 356 V HN 0.759 nan 8.190 nan 0.000 0.547 357 E N 0.896 121.173 120.200 0.128 0.000 2.790 357 E HA 0.415 4.765 4.350 -0.000 0.000 0.256 357 E C -0.284 176.358 176.600 0.069 0.000 1.246 357 E CA -0.802 55.658 56.400 0.101 0.000 1.041 357 E CB 0.555 30.340 29.700 0.143 0.000 1.272 357 E HN 0.342 nan 8.360 nan 0.000 0.603 358 E N -1.018 119.215 120.200 0.055 0.000 2.199 358 E HA -0.223 4.126 4.350 -0.000 0.000 0.208 358 E C -0.632 175.991 176.600 0.039 0.000 1.310 358 E CA 0.062 56.487 56.400 0.041 0.000 0.709 358 E CB -1.866 27.857 29.700 0.039 0.000 1.127 358 E HN 0.354 nan 8.360 nan 0.000 0.354 359 C N 0.520 119.840 119.300 0.034 0.000 2.563 359 C HA 0.116 4.576 4.460 -0.000 0.000 0.358 359 C C 2.015 177.027 174.990 0.038 0.000 1.336 359 C CA -0.599 58.440 59.018 0.036 0.000 2.454 359 C CB 0.843 28.600 27.740 0.028 0.000 2.448 359 C HN 0.438 nan 8.230 nan 0.000 0.670 360 K N 0.336 120.769 120.400 0.055 0.000 2.056 360 K HA 0.027 4.346 4.320 -0.000 0.000 0.205 360 K C 0.478 177.145 176.600 0.112 0.000 1.035 360 K CA 1.356 57.688 56.287 0.075 0.000 0.955 360 K CB -0.371 32.176 32.500 0.078 0.000 0.769 360 K HN 0.689 nan 8.250 nan 0.000 0.447 361 H N 1.540 120.615 119.070 0.007 0.000 2.418 361 H HA 0.265 4.821 4.556 -0.000 0.000 0.238 361 H C -2.632 172.697 175.328 0.002 0.000 1.403 361 H CA -2.191 53.860 56.048 0.004 0.000 1.419 361 H CB 0.463 30.228 29.762 0.004 0.000 1.463 361 H HN -0.067 nan 8.280 nan 0.000 0.515 362 P HA 0.132 nan 4.420 nan 0.000 0.276 362 P C 0.178 177.411 177.300 -0.112 0.000 1.243 362 P CA -0.475 62.579 63.100 -0.076 0.000 0.768 362 P CB 1.124 32.784 31.700 -0.068 0.000 0.856 363 K N 1.063 121.435 120.400 -0.048 0.000 2.373 363 K HA 0.482 4.801 4.320 -0.000 0.000 0.202 363 K C 0.229 176.809 176.600 -0.034 0.000 1.025 363 K CA -0.138 56.127 56.287 -0.037 0.000 1.115 363 K CB 0.649 33.151 32.500 0.003 0.000 0.858 363 K HN 0.500 nan 8.250 nan 0.000 0.525 364 A N 0.070 122.867 122.820 -0.039 0.000 2.539 364 A HA 0.766 5.086 4.320 -0.000 0.000 0.296 364 A C -1.113 176.445 177.584 -0.044 0.000 1.073 364 A CA -0.576 51.436 52.037 -0.041 0.000 0.700 364 A CB 1.766 20.740 19.000 -0.044 0.000 1.296 364 A HN -0.117 nan 8.150 nan 0.000 0.405 365 V N 0.192 120.080 119.914 -0.043 0.000 3.087 365 V HA 0.694 4.814 4.120 -0.000 0.000 0.306 365 V C -0.379 175.691 176.094 -0.041 0.000 1.187 365 V CA -0.525 61.751 62.300 -0.040 0.000 0.999 365 V CB 2.526 34.327 31.823 -0.037 0.000 1.049 365 V HN 0.963 nan 8.190 nan 0.000 0.431 366 T N 4.583 119.114 114.554 -0.038 0.000 2.807 366 T HA 0.524 4.874 4.350 -0.000 0.000 0.279 366 T C -0.446 174.236 174.700 -0.028 0.000 0.993 366 T CA -0.454 61.620 62.100 -0.044 0.000 0.970 366 T CB 1.141 69.970 68.868 -0.065 0.000 0.950 366 T HN 0.384 nan 8.240 nan 0.000 0.441 367 M N 3.822 123.405 119.600 -0.027 0.000 2.063 367 M HA 0.314 4.794 4.480 -0.000 0.000 0.348 367 M C -0.734 175.556 176.300 -0.016 0.000 1.180 367 M CA -0.879 54.412 55.300 -0.016 0.000 1.059 367 M CB 0.700 33.291 32.600 -0.014 0.000 1.544 367 M HN 0.368 nan 8.290 nan 0.000 0.447 368 L N 6.509 127.730 121.223 -0.004 0.000 2.295 368 L HA 0.434 4.774 4.340 -0.000 0.000 0.288 368 L C -0.463 176.412 176.870 0.009 0.000 1.079 368 L CA 0.229 55.070 54.840 0.002 0.000 0.830 368 L CB -0.043 42.034 42.059 0.031 0.000 1.200 368 L HN 0.506 nan 8.230 nan 0.000 0.438 369 I N 5.542 126.113 120.570 0.001 0.000 2.499 369 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 369 I C 0.101 176.223 176.117 0.008 0.000 0.992 369 I CA -0.707 60.595 61.300 0.004 0.000 1.297 369 I CB 0.875 38.874 38.000 -0.001 0.000 1.410 369 I HN 0.542 nan 8.210 nan 0.000 0.507 370 R N 3.446 123.952 120.500 0.011 0.000 2.668 370 R HA 0.789 5.129 4.340 -0.000 0.000 0.272 370 R C -0.782 175.524 176.300 0.009 0.000 1.019 370 R CA -1.010 55.097 56.100 0.012 0.000 0.894 370 R CB 2.486 32.798 30.300 0.020 0.000 1.228 370 R HN 0.882 nan 8.270 nan 0.000 0.460 371 G N -0.412 108.392 108.800 0.007 0.000 2.601 371 G HA2 0.275 4.234 3.960 -0.000 0.000 0.291 371 G HA3 0.275 4.234 3.960 -0.000 0.000 0.291 371 G C 0.558 175.461 174.900 0.006 0.000 1.456 371 G CA -0.256 44.848 45.100 0.007 0.000 0.804 371 G HN 0.499 nan 8.290 nan 0.000 0.499 372 T N -1.769 112.790 114.554 0.007 0.000 2.595 372 T HA -0.008 4.342 4.350 -0.000 0.000 0.264 372 T C 1.703 176.405 174.700 0.003 0.000 1.058 372 T CA 2.353 64.457 62.100 0.006 0.000 1.166 372 T CB -0.790 68.083 68.868 0.009 0.000 0.863 372 T HN 1.336 nan 8.240 nan 0.000 0.415 373 T N -1.011 113.546 114.554 0.006 0.000 2.893 373 T HA 0.501 4.851 4.350 -0.000 0.000 0.279 373 T C 0.989 175.674 174.700 -0.025 0.000 0.991 373 T CA -0.268 61.831 62.100 -0.002 0.000 0.950 373 T CB 1.835 70.715 68.868 0.020 0.000 1.223 373 T HN 0.165 nan 8.240 nan 0.000 0.585 374 E N -0.599 119.554 120.200 -0.078 0.000 2.086 374 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 374 E C 1.789 178.285 176.600 -0.174 0.000 0.975 374 E CA 1.438 57.740 56.400 -0.162 0.000 0.813 374 E CB -0.519 29.014 29.700 -0.277 0.000 0.768 374 E HN 0.855 nan 8.360 nan 0.000 0.457 375 H N -1.185 117.887 119.070 0.003 0.000 2.529 375 H HA 0.093 4.649 4.556 -0.000 0.000 0.277 375 H C 1.836 177.166 175.328 0.003 0.000 0.999 375 H CA 0.744 56.794 56.048 0.003 0.000 1.256 375 H CB 0.487 30.250 29.762 0.002 0.000 1.402 375 H HN -0.005 nan 8.280 nan 0.000 0.566 376 V N 0.571 120.543 119.914 0.095 0.000 2.358 376 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 376 V C 2.207 178.322 176.094 0.034 0.000 1.047 376 V CA 1.578 63.912 62.300 0.056 0.000 1.035 376 V CB -0.293 31.553 31.823 0.038 0.000 0.658 376 V HN 0.426 nan 8.190 nan 0.000 0.452 377 I N -0.272 120.307 120.570 0.016 0.000 2.226 377 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 377 I C 2.594 178.717 176.117 0.010 0.000 1.100 377 I CA 1.672 62.975 61.300 0.005 0.000 1.374 377 I CB -0.300 37.693 38.000 -0.013 0.000 1.057 377 I HN 0.384 nan 8.210 nan 0.000 0.413 378 E N 0.477 120.687 120.200 0.017 0.000 2.204 378 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 378 E C 1.873 178.495 176.600 0.037 0.000 0.989 378 E CA 1.031 57.446 56.400 0.026 0.000 0.824 378 E CB 0.220 29.947 29.700 0.044 0.000 0.756 378 E HN 0.337 nan 8.360 nan 0.000 0.477 379 E N -0.346 119.881 120.200 0.045 0.000 2.250 379 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 379 E C 1.791 178.405 176.600 0.024 0.000 0.986 379 E CA 0.282 56.703 56.400 0.035 0.000 0.849 379 E CB 0.168 29.892 29.700 0.039 0.000 0.797 379 E HN 0.002 nan 8.360 nan 0.000 0.482 380 V N 0.656 120.583 119.914 0.022 0.000 2.594 380 V HA -0.207 3.913 4.120 -0.000 0.000 0.253 380 V C 2.198 178.299 176.094 0.011 0.000 1.069 380 V CA 1.699 64.008 62.300 0.015 0.000 1.082 380 V CB -0.563 31.267 31.823 0.013 0.000 0.680 380 V HN 0.467 nan 8.190 nan 0.000 0.469 381 A N -0.361 122.465 122.820 0.011 0.000 1.897 381 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 381 A C 2.342 179.930 177.584 0.006 0.000 1.181 381 A CA 1.277 53.318 52.037 0.006 0.000 0.620 381 A CB -0.438 18.564 19.000 0.003 0.000 0.821 381 A HN 0.452 nan 8.150 nan 0.000 0.443 382 R N -0.522 119.984 120.500 0.011 0.000 2.193 382 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 382 R C 2.277 178.582 176.300 0.008 0.000 1.110 382 R CA 0.950 57.055 56.100 0.009 0.000 0.988 382 R CB -0.297 30.011 30.300 0.013 0.000 0.871 382 R HN 0.536 nan 8.270 nan 0.000 0.458 383 A N 0.297 123.122 122.820 0.010 0.000 1.898 383 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 383 A C 2.208 179.796 177.584 0.007 0.000 1.183 383 A CA 0.846 52.889 52.037 0.010 0.000 0.622 383 A CB -0.243 18.764 19.000 0.013 0.000 0.824 383 A HN 0.100 nan 8.150 nan 0.000 0.444 384 V N 0.731 120.648 119.914 0.005 0.000 2.490 384 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 384 V C 1.991 178.085 176.094 0.000 0.000 1.061 384 V CA 2.163 64.464 62.300 0.002 0.000 1.064 384 V CB -0.694 31.130 31.823 0.000 0.000 0.670 384 V HN 0.487 nan 8.190 nan 0.000 0.461 385 D N -0.137 120.263 120.400 0.000 0.000 2.178 385 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 385 D C 1.805 178.105 176.300 -0.001 0.000 0.974 385 D CA 1.114 55.113 54.000 -0.002 0.000 0.841 385 D CB -0.039 40.760 40.800 -0.001 0.000 0.953 385 D HN 0.437 nan 8.370 nan 0.000 0.478 386 D N 0.344 120.745 120.400 0.001 0.000 2.137 386 D HA -0.006 4.634 4.640 -0.000 0.000 0.202 386 D C 2.039 178.340 176.300 0.002 0.000 0.970 386 D CA 0.801 54.802 54.000 0.001 0.000 0.837 386 D CB -0.198 40.603 40.800 0.003 0.000 0.981 386 D HN 0.058 nan 8.370 nan 0.000 0.475 387 A N 0.885 123.706 122.820 0.003 0.000 1.841 387 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 387 A C 2.445 180.029 177.584 -0.000 0.000 1.199 387 A CA 1.727 53.766 52.037 0.003 0.000 0.621 387 A CB -1.038 17.964 19.000 0.004 0.000 0.835 387 A HN 0.132 nan 8.150 nan 0.000 0.445 388 V N 0.115 120.028 119.914 -0.002 0.000 2.660 388 V HA -0.220 3.900 4.120 -0.000 0.000 0.257 388 V C 2.523 178.615 176.094 -0.005 0.000 1.088 388 V CA 1.841 64.138 62.300 -0.005 0.000 1.106 388 V CB -1.475 30.344 31.823 -0.007 0.000 0.686 388 V HN 0.682 nan 8.190 nan 0.000 0.481 389 G N 0.459 109.257 108.800 -0.003 0.000 2.439 389 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 389 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 389 G C 1.650 176.548 174.900 -0.003 0.000 1.199 389 G CA 1.079 46.177 45.100 -0.003 0.000 0.807 389 G HN 0.528 nan 8.290 nan 0.000 0.537 390 V N -0.808 119.105 119.914 -0.001 0.000 2.515 390 V HA -0.083 4.037 4.120 -0.000 0.000 0.250 390 V C 2.646 178.740 176.094 -0.000 0.000 1.058 390 V CA 1.386 63.686 62.300 -0.001 0.000 1.064 390 V CB -0.762 31.062 31.823 0.001 0.000 0.675 390 V HN 0.122 nan 8.190 nan 0.000 0.461 391 V N 2.001 121.914 119.914 -0.001 0.000 2.270 391 V HA -0.071 4.049 4.120 -0.000 0.000 0.245 391 V C 2.944 179.037 176.094 -0.003 0.000 1.043 391 V CA 2.384 64.683 62.300 -0.001 0.000 1.014 391 V CB -1.422 30.400 31.823 -0.002 0.000 0.645 391 V HN 0.612 nan 8.190 nan 0.000 0.447 392 G N -1.604 107.194 108.800 -0.004 0.000 2.475 392 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.220 392 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.220 392 G C 1.702 176.600 174.900 -0.003 0.000 1.125 392 G CA 1.383 46.480 45.100 -0.005 0.000 0.755 392 G HN 0.538 nan 8.290 nan 0.000 0.565 393 C N 0.325 119.624 119.300 -0.003 0.000 2.450 393 C HA 0.069 4.529 4.460 -0.000 0.000 0.279 393 C C 3.187 178.176 174.990 -0.001 0.000 1.335 393 C CA 1.484 60.501 59.018 -0.002 0.000 1.749 393 C CB -0.771 26.968 27.740 -0.002 0.000 1.963 393 C HN 0.475 nan 8.230 nan 0.000 0.501 394 T N 1.110 115.663 114.554 -0.001 0.000 2.735 394 T HA -0.008 4.342 4.350 -0.000 0.000 0.256 394 T C 1.703 176.403 174.700 -0.000 0.000 1.042 394 T CA 1.097 63.197 62.100 -0.000 0.000 1.147 394 T CB -0.260 68.609 68.868 0.001 0.000 0.865 394 T HN 0.398 nan 8.240 nan 0.000 0.421 395 I N 1.319 121.888 120.570 -0.001 0.000 2.113 395 I HA -0.306 3.863 4.170 -0.000 0.000 0.242 395 I C 2.777 178.893 176.117 -0.001 0.000 1.057 395 I CA 1.721 63.020 61.300 -0.001 0.000 1.314 395 I CB -0.444 37.555 38.000 -0.003 0.000 1.022 395 I HN 0.367 nan 8.210 nan 0.000 0.408 396 E N 0.406 120.605 120.200 -0.001 0.000 2.017 396 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 396 E C 1.849 178.449 176.600 -0.001 0.000 0.997 396 E CA 1.634 58.034 56.400 -0.001 0.000 0.804 396 E CB -0.066 29.633 29.700 -0.002 0.000 0.757 396 E HN 0.468 nan 8.360 nan 0.000 0.448 397 D N -1.558 118.842 120.400 -0.001 0.000 2.085 397 D HA -0.058 4.582 4.640 -0.000 0.000 0.199 397 D C 1.507 177.807 176.300 -0.000 0.000 0.981 397 D CA 1.718 55.718 54.000 -0.001 0.000 0.834 397 D CB -0.141 40.659 40.800 -0.001 0.000 0.992 397 D HN 0.389 nan 8.370 nan 0.000 0.457 398 G N -0.164 108.636 108.800 0.000 0.000 2.234 398 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.235 398 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.235 398 G C 0.455 175.356 174.900 0.001 0.000 0.997 398 G CA 0.091 45.191 45.100 0.001 0.000 0.623 398 G HN 0.337 nan 8.290 nan 0.000 0.514 399 R N 0.400 120.901 120.500 0.001 0.000 2.604 399 R HA 0.832 5.172 4.340 -0.000 0.000 0.287 399 R C 0.321 176.622 176.300 0.002 0.000 0.970 399 R CA -0.270 55.830 56.100 0.001 0.000 0.946 399 R CB 1.765 32.065 30.300 0.000 0.000 1.127 399 R HN 0.642 nan 8.270 nan 0.000 0.473 400 I N -1.514 119.057 120.570 0.003 0.000 3.191 400 I HA 0.739 4.909 4.170 -0.000 0.000 0.313 400 I C -0.850 175.271 176.117 0.005 0.000 1.193 400 I CA -1.123 60.180 61.300 0.004 0.000 0.968 400 I CB 2.265 40.267 38.000 0.005 0.000 1.262 400 I HN 0.511 nan 8.210 nan 0.000 0.456 401 V N 0.371 120.288 119.914 0.006 0.000 3.119 401 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 401 V C -0.263 175.838 176.094 0.011 0.000 1.259 401 V CA -0.233 62.073 62.300 0.009 0.000 1.067 401 V CB 1.397 33.224 31.823 0.008 0.000 1.123 401 V HN 1.016 nan 8.190 nan 0.000 0.463 402 S N 0.508 116.218 115.700 0.017 0.000 2.429 402 S HA 0.764 5.234 4.470 -0.000 0.000 0.302 402 S C 0.436 175.044 174.600 0.015 0.000 1.115 402 S CA 0.055 58.266 58.200 0.019 0.000 1.095 402 S CB 0.560 63.779 63.200 0.031 0.000 0.987 402 S HN 1.760 nan 8.310 nan 0.000 0.474 403 G N 1.584 110.388 108.800 0.008 0.000 2.468 403 G HA2 0.455 4.415 3.960 -0.000 0.000 0.264 403 G HA3 0.455 4.415 3.960 -0.000 0.000 0.264 403 G C 1.079 175.975 174.900 -0.006 0.000 1.460 403 G CA -0.363 44.736 45.100 -0.002 0.000 1.060 403 G HN 2.092 nan 8.290 nan 0.000 0.543 404 G N -2.521 106.265 108.800 -0.023 0.000 2.148 404 G HA2 0.227 4.187 3.960 -0.000 0.000 0.254 404 G HA3 0.227 4.187 3.960 -0.000 0.000 0.254 404 G C 1.520 176.402 174.900 -0.031 0.000 0.981 404 G CA 1.093 46.172 45.100 -0.036 0.000 0.670 404 G HN 2.523 nan 8.290 nan 0.000 0.528 405 G N -1.302 107.480 108.800 -0.029 0.000 2.143 405 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.249 405 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.249 405 G C 1.339 176.221 174.900 -0.030 0.000 0.981 405 G CA 1.649 46.728 45.100 -0.035 0.000 0.665 405 G HN 1.753 nan 8.290 nan 0.000 0.528 406 S N 0.042 115.740 115.700 -0.003 0.000 2.349 406 S HA -0.106 4.364 4.470 -0.000 0.000 0.216 406 S C 2.649 177.234 174.600 -0.024 0.000 1.033 406 S CA 2.762 60.984 58.200 0.036 0.000 1.021 406 S CB -0.510 62.735 63.200 0.075 0.000 0.968 406 S HN 1.367 nan 8.310 nan 0.000 0.426 407 T N -0.915 113.634 114.554 -0.009 0.000 3.308 407 T HA 0.168 4.518 4.350 -0.000 0.000 0.255 407 T C 1.029 175.694 174.700 -0.058 0.000 1.162 407 T CA 0.799 62.885 62.100 -0.024 0.000 1.031 407 T CB -0.219 68.648 68.868 -0.001 0.000 0.973 407 T HN 0.341 nan 8.240 nan 0.000 0.544 408 E N 0.328 120.481 120.200 -0.078 0.000 2.201 408 E HA 0.164 4.514 4.350 -0.000 0.000 0.193 408 E C 2.122 178.650 176.600 -0.120 0.000 0.957 408 E CA 0.180 56.533 56.400 -0.079 0.000 0.858 408 E CB -0.006 29.653 29.700 -0.068 0.000 0.816 408 E HN 0.316 nan 8.360 nan 0.000 0.475 409 V N 1.036 120.833 119.914 -0.195 0.000 2.453 409 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 409 V C 2.221 178.082 176.094 -0.390 0.000 1.048 409 V CA 1.800 63.932 62.300 -0.279 0.000 1.049 409 V CB -0.262 31.355 31.823 -0.343 0.000 0.672 409 V HN 0.218 nan 8.190 nan 0.000 0.457 410 E N 0.820 120.713 120.200 -0.511 0.000 2.005 410 E HA -0.261 4.088 4.350 -0.000 0.000 0.198 410 E C 1.977 178.510 176.600 -0.111 0.000 1.010 410 E CA 1.720 57.950 56.400 -0.283 0.000 0.825 410 E CB -0.674 28.971 29.700 -0.091 0.000 0.769 410 E HN 0.295 nan 8.360 nan 0.000 0.456 411 L N 0.680 121.857 121.223 -0.077 0.000 2.351 411 L HA -0.144 4.196 4.340 -0.000 0.000 0.220 411 L C 2.183 179.045 176.870 -0.014 0.000 1.127 411 L CA 2.268 57.089 54.840 -0.033 0.000 0.786 411 L CB -0.875 41.173 42.059 -0.019 0.000 0.914 411 L HN 0.376 nan 8.230 nan 0.000 0.443 412 S N -1.184 114.495 115.700 -0.034 0.000 2.441 412 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 412 S C 1.963 176.569 174.600 0.009 0.000 1.043 412 S CA 0.577 58.777 58.200 -0.001 0.000 0.948 412 S CB -0.289 62.896 63.200 -0.024 0.000 0.810 412 S HN 0.587 nan 8.310 nan 0.000 0.504 413 M N 0.650 120.241 119.600 -0.015 0.000 2.193 413 M HA 0.263 4.743 4.480 -0.000 0.000 0.265 413 M C 1.959 178.278 176.300 0.033 0.000 1.071 413 M CA 1.056 56.363 55.300 0.011 0.000 1.140 413 M CB -0.438 32.167 32.600 0.009 0.000 1.369 413 M HN -0.072 nan 8.290 nan 0.000 0.423 414 K N 1.566 121.982 120.400 0.026 0.000 2.032 414 K HA -0.020 4.300 4.320 -0.000 0.000 0.209 414 K C 2.141 178.780 176.600 0.064 0.000 1.048 414 K CA 1.450 57.761 56.287 0.040 0.000 0.927 414 K CB -0.961 31.552 32.500 0.022 0.000 0.712 414 K HN 0.501 nan 8.250 nan 0.000 0.441 415 L N 0.416 121.667 121.223 0.046 0.000 2.191 415 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 415 L C 2.709 179.661 176.870 0.135 0.000 1.103 415 L CA 0.919 55.800 54.840 0.068 0.000 0.769 415 L CB -0.217 41.868 42.059 0.044 0.000 0.908 415 L HN 0.210 nan 8.230 nan 0.000 0.438 416 R N 0.189 120.748 120.500 0.098 0.000 2.093 416 R HA -0.147 4.192 4.340 -0.000 0.000 0.224 416 R C 2.239 178.589 176.300 0.083 0.000 1.101 416 R CA 1.313 57.467 56.100 0.090 0.000 0.979 416 R CB 0.117 30.453 30.300 0.061 0.000 0.877 416 R HN 0.557 nan 8.270 nan 0.000 0.441 417 E N -0.861 119.388 120.200 0.083 0.000 2.076 417 E HA -0.245 4.104 4.350 -0.000 0.000 0.190 417 E C 1.780 178.422 176.600 0.071 0.000 0.979 417 E CA 0.856 57.294 56.400 0.063 0.000 0.807 417 E CB -0.821 28.911 29.700 0.054 0.000 0.761 417 E HN 0.439 nan 8.360 nan 0.000 0.454 418 Y N 1.946 122.245 120.300 -0.001 0.000 2.365 418 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 418 Y C 2.240 178.137 175.900 -0.006 0.000 1.162 418 Y CA 1.464 59.559 58.100 -0.009 0.000 1.260 418 Y CB -0.210 38.237 38.460 -0.021 0.000 0.976 418 Y HN 0.187 nan 8.280 nan 0.000 0.548 419 A N 0.125 122.974 122.820 0.049 0.000 2.016 419 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 419 A C 2.010 179.551 177.584 -0.071 0.000 1.162 419 A CA 1.318 53.361 52.037 0.011 0.000 0.662 419 A CB -0.416 18.640 19.000 0.094 0.000 0.812 419 A HN 0.663 nan 8.150 nan 0.000 0.450 420 E N -0.283 119.876 120.200 -0.067 0.000 2.112 420 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 420 E C 1.648 178.184 176.600 -0.107 0.000 0.979 420 E CA 0.560 56.922 56.400 -0.063 0.000 0.814 420 E CB -0.310 29.370 29.700 -0.034 0.000 0.762 420 E HN 0.536 nan 8.360 nan 0.000 0.460 421 G N 1.748 110.444 108.800 -0.174 0.000 3.262 421 G HA2 0.065 4.025 3.960 -0.000 0.000 0.222 421 G HA3 0.065 4.025 3.960 -0.000 0.000 0.222 421 G C 0.335 175.091 174.900 -0.241 0.000 1.269 421 G CA 0.010 44.990 45.100 -0.199 0.000 1.032 421 G HN 0.056 nan 8.290 nan 0.000 0.502 422 I N 1.480 121.933 120.570 -0.195 0.000 2.418 422 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 422 I C -0.171 175.897 176.117 -0.080 0.000 1.008 422 I CA -0.715 60.493 61.300 -0.153 0.000 1.104 422 I CB 2.051 39.964 38.000 -0.146 0.000 1.264 422 I HN 0.055 nan 8.210 nan 0.000 0.438 423 S N 4.264 119.927 115.700 -0.062 0.000 2.554 423 S HA 0.915 5.385 4.470 -0.000 0.000 0.278 423 S C 0.200 174.784 174.600 -0.027 0.000 1.242 423 S CA -0.199 57.978 58.200 -0.039 0.000 1.051 423 S CB 1.860 65.039 63.200 -0.034 0.000 0.986 423 S HN 1.227 nan 8.310 nan 0.000 0.502 424 G N 2.053 110.842 108.800 -0.018 0.000 2.525 424 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.685 424 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.685 424 G C 0.059 174.957 174.900 -0.004 0.000 1.290 424 G CA -0.410 44.683 45.100 -0.011 0.000 0.915 424 G HN 0.677 nan 8.290 nan 0.000 0.548 425 R N 0.631 121.131 120.500 0.000 0.000 2.091 425 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 425 R C 2.615 178.922 176.300 0.012 0.000 1.136 425 R CA 2.213 58.317 56.100 0.006 0.000 0.959 425 R CB -0.378 29.927 30.300 0.008 0.000 0.856 425 R HN 0.828 nan 8.270 nan 0.000 0.437 426 E N 0.614 120.820 120.200 0.010 0.000 2.394 426 E HA -0.326 4.024 4.350 -0.000 0.000 0.202 426 E C 1.773 178.397 176.600 0.040 0.000 1.029 426 E CA 1.209 57.622 56.400 0.022 0.000 0.855 426 E CB -0.247 29.466 29.700 0.021 0.000 0.770 426 E HN 0.452 nan 8.360 nan 0.000 0.527 427 Q N 1.018 120.834 119.800 0.027 0.000 2.046 427 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 427 Q C 2.306 178.342 176.000 0.059 0.000 0.975 427 Q CA 1.447 57.270 55.803 0.033 0.000 0.836 427 Q CB -0.071 28.672 28.738 0.008 0.000 0.896 427 Q HN 0.475 nan 8.270 nan 0.000 0.428 428 L N 0.413 121.665 121.223 0.048 0.000 2.013 428 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 428 L C 2.647 179.574 176.870 0.095 0.000 1.073 428 L CA 1.242 56.117 54.840 0.058 0.000 0.753 428 L CB -0.875 41.205 42.059 0.035 0.000 0.890 428 L HN 0.283 nan 8.230 nan 0.000 0.432 429 A N -0.037 122.836 122.820 0.087 0.000 1.859 429 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 429 A C 2.353 180.125 177.584 0.314 0.000 1.198 429 A CA 2.330 54.453 52.037 0.142 0.000 0.629 429 A CB -1.076 17.958 19.000 0.058 0.000 0.830 429 A HN 0.197 nan 8.150 nan 0.000 0.446 430 V N 0.006 120.062 119.914 0.236 0.000 2.407 430 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 430 V C 2.673 178.911 176.094 0.239 0.000 1.055 430 V CA 2.288 64.734 62.300 0.244 0.000 1.049 430 V CB -0.856 31.087 31.823 0.200 0.000 0.662 430 V HN 0.524 nan 8.190 nan 0.000 0.455 431 R N 0.092 120.701 120.500 0.181 0.000 2.075 431 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 431 R C 2.475 178.874 176.300 0.166 0.000 1.126 431 R CA 1.393 57.581 56.100 0.147 0.000 0.963 431 R CB -0.626 29.732 30.300 0.098 0.000 0.858 431 R HN 0.521 nan 8.270 nan 0.000 0.435 432 A N 0.873 123.813 122.820 0.200 0.000 1.940 432 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 432 A C 1.980 179.684 177.584 0.199 0.000 1.176 432 A CA 1.217 53.376 52.037 0.204 0.000 0.631 432 A CB -0.671 18.486 19.000 0.262 0.000 0.814 432 A HN 0.394 nan 8.150 nan 0.000 0.446 433 F N 0.445 120.465 119.950 0.116 0.000 2.234 433 F HA 0.000 4.527 4.527 -0.000 0.000 0.299 433 F C 2.460 178.218 175.800 -0.070 0.000 1.087 433 F CA 1.110 59.053 58.000 -0.097 0.000 1.340 433 F CB -0.037 38.892 39.000 -0.117 0.000 1.031 433 F HN 0.266 nan 8.300 nan 0.000 0.500 434 A N -0.184 122.817 122.820 0.302 0.000 1.897 434 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 434 A C 1.819 179.444 177.584 0.068 0.000 1.181 434 A CA 1.786 53.938 52.037 0.192 0.000 0.620 434 A CB -0.804 18.285 19.000 0.149 0.000 0.821 434 A HN 0.365 nan 8.150 nan 0.000 0.443 435 D N 0.205 120.634 120.400 0.049 0.000 2.178 435 D HA 0.012 4.652 4.640 -0.000 0.000 0.202 435 D C 2.182 178.455 176.300 -0.045 0.000 0.974 435 D CA 1.234 55.237 54.000 0.006 0.000 0.841 435 D CB -0.367 40.446 40.800 0.022 0.000 0.953 435 D HN 0.403 nan 8.370 nan 0.000 0.478 436 A N 0.988 123.750 122.820 -0.097 0.000 1.873 436 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 436 A C 2.254 179.733 177.584 -0.176 0.000 1.193 436 A CA 1.102 53.028 52.037 -0.185 0.000 0.629 436 A CB -0.929 17.841 19.000 -0.383 0.000 0.826 436 A HN 0.268 nan 8.150 nan 0.000 0.447 437 L N -0.620 120.500 121.223 -0.172 0.000 2.353 437 L HA -0.148 4.192 4.340 -0.000 0.000 0.220 437 L C 1.910 178.726 176.870 -0.090 0.000 1.133 437 L CA 1.007 55.769 54.840 -0.131 0.000 0.798 437 L CB -0.642 41.371 42.059 -0.076 0.000 0.922 437 L HN 0.477 nan 8.230 nan 0.000 0.445 438 E N -0.331 119.824 120.200 -0.075 0.000 2.512 438 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 438 E C 1.913 178.478 176.600 -0.060 0.000 1.083 438 E CA -0.031 56.333 56.400 -0.061 0.000 0.873 438 E CB 0.279 29.952 29.700 -0.045 0.000 0.897 438 E HN 0.249 nan 8.360 nan 0.000 0.514 439 V N 0.706 120.577 119.914 -0.072 0.000 2.951 439 V HA -0.150 3.970 4.120 -0.000 0.000 0.255 439 V C 1.640 177.699 176.094 -0.060 0.000 1.088 439 V CA 0.761 63.022 62.300 -0.065 0.000 1.109 439 V CB -0.045 31.732 31.823 -0.077 0.000 0.724 439 V HN 0.279 nan 8.190 nan 0.000 0.471 440 I N 1.007 121.539 120.570 -0.063 0.000 2.233 440 I HA -0.013 4.157 4.170 -0.000 0.000 0.243 440 I C 0.016 176.102 176.117 -0.052 0.000 1.093 440 I CA 1.285 62.551 61.300 -0.057 0.000 1.380 440 I CB -2.701 35.265 38.000 -0.057 0.000 1.067 440 I HN 0.337 nan 8.210 nan 0.000 0.413 441 P HA -0.120 nan 4.420 nan 0.000 0.217 441 P C 1.875 179.150 177.300 -0.042 0.000 1.150 441 P CA 1.422 64.495 63.100 -0.045 0.000 0.832 441 P CB -0.050 31.624 31.700 -0.043 0.000 0.787 442 R N -0.257 120.218 120.500 -0.041 0.000 2.070 442 R HA -0.115 4.225 4.340 -0.000 0.000 0.233 442 R C 2.364 178.642 176.300 -0.036 0.000 1.137 442 R CA 2.462 58.541 56.100 -0.036 0.000 0.945 442 R CB -1.172 29.108 30.300 -0.035 0.000 0.845 442 R HN 0.220 nan 8.270 nan 0.000 0.430 443 T N -0.983 113.547 114.554 -0.039 0.000 2.867 443 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 443 T C 1.946 176.622 174.700 -0.040 0.000 1.057 443 T CA 1.064 63.142 62.100 -0.037 0.000 1.136 443 T CB -0.264 68.581 68.868 -0.038 0.000 0.874 443 T HN 0.210 nan 8.240 nan 0.000 0.466 444 L N 0.895 122.090 121.223 -0.047 0.000 2.079 444 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 444 L C 3.359 180.194 176.870 -0.060 0.000 1.081 444 L CA 1.308 56.113 54.840 -0.057 0.000 0.752 444 L CB -0.832 41.187 42.059 -0.067 0.000 0.896 444 L HN 0.420 nan 8.230 nan 0.000 0.433 445 A N -0.164 122.626 122.820 -0.050 0.000 1.877 445 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 445 A C 2.173 179.736 177.584 -0.034 0.000 1.186 445 A CA 1.600 53.611 52.037 -0.043 0.000 0.620 445 A CB -0.437 18.543 19.000 -0.034 0.000 0.822 445 A HN 0.410 nan 8.150 nan 0.000 0.443 446 E N -0.018 120.164 120.200 -0.030 0.000 2.033 446 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 446 E C 1.853 178.441 176.600 -0.021 0.000 1.011 446 E CA 1.480 57.866 56.400 -0.023 0.000 0.815 446 E CB -0.217 29.469 29.700 -0.023 0.000 0.755 446 E HN 0.574 nan 8.360 nan 0.000 0.451 447 N N 0.455 119.141 118.700 -0.024 0.000 2.223 447 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 447 N C 1.516 177.016 175.510 -0.015 0.000 1.016 447 N CA 1.213 54.252 53.050 -0.019 0.000 0.863 447 N CB -0.378 38.096 38.487 -0.021 0.000 0.983 447 N HN 0.148 nan 8.380 nan 0.000 0.429 448 A N -0.247 122.557 122.820 -0.027 0.000 2.067 448 A HA 0.262 4.582 4.320 -0.000 0.000 0.219 448 A C 1.776 179.356 177.584 -0.006 0.000 1.158 448 A CA 1.648 53.671 52.037 -0.022 0.000 0.661 448 A CB -0.416 18.552 19.000 -0.053 0.000 0.801 448 A HN 0.399 nan 8.150 nan 0.000 0.452 449 G N -2.531 106.264 108.800 -0.009 0.000 2.218 449 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 449 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 449 G C 0.112 175.009 174.900 -0.005 0.000 0.994 449 G CA 0.084 45.182 45.100 -0.004 0.000 0.637 449 G HN 0.400 nan 8.290 nan 0.000 0.505 450 L N 1.169 122.385 121.223 -0.010 0.000 2.476 450 L HA 0.517 4.857 4.340 -0.000 0.000 0.255 450 L C 0.769 177.632 176.870 -0.010 0.000 1.218 450 L CA -0.078 54.756 54.840 -0.010 0.000 0.819 450 L CB 0.345 42.395 42.059 -0.015 0.000 1.119 450 L HN 0.169 nan 8.230 nan 0.000 0.485 451 D N 0.094 120.489 120.400 -0.008 0.000 2.402 451 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 451 D C 0.849 177.143 176.300 -0.010 0.000 1.226 451 D CA 0.246 54.241 54.000 -0.007 0.000 0.918 451 D CB 1.183 41.980 40.800 -0.004 0.000 1.043 451 D HN 0.578 nan 8.370 nan 0.000 0.506 452 A N 4.719 127.532 122.820 -0.012 0.000 1.917 452 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 452 A C 2.174 179.751 177.584 -0.012 0.000 1.182 452 A CA 1.260 53.287 52.037 -0.015 0.000 0.633 452 A CB -0.552 18.437 19.000 -0.018 0.000 0.819 452 A HN 0.761 nan 8.150 nan 0.000 0.448 453 I N -1.140 119.425 120.570 -0.009 0.000 2.286 453 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 453 I C 2.534 178.649 176.117 -0.003 0.000 1.104 453 I CA 1.740 63.036 61.300 -0.006 0.000 1.397 453 I CB -0.570 37.427 38.000 -0.005 0.000 1.072 453 I HN 0.445 nan 8.210 nan 0.000 0.417 454 E N 2.199 122.397 120.200 -0.003 0.000 2.007 454 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 454 E C 2.205 178.806 176.600 0.001 0.000 0.999 454 E CA 1.592 57.992 56.400 0.000 0.000 0.811 454 E CB -0.284 29.416 29.700 0.000 0.000 0.762 454 E HN 0.314 nan 8.360 nan 0.000 0.450 455 I N 0.372 120.941 120.570 -0.002 0.000 2.229 455 I HA -0.290 3.880 4.170 -0.000 0.000 0.250 455 I C 2.306 178.424 176.117 0.002 0.000 1.096 455 I CA 0.891 62.190 61.300 -0.002 0.000 1.358 455 I CB -0.426 37.568 38.000 -0.009 0.000 1.047 455 I HN 0.272 nan 8.210 nan 0.000 0.422 456 L N 0.229 121.451 121.223 -0.002 0.000 2.141 456 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 456 L C 2.342 179.217 176.870 0.008 0.000 1.094 456 L CA 1.479 56.318 54.840 -0.001 0.000 0.763 456 L CB -0.367 41.687 42.059 -0.008 0.000 0.908 456 L HN -0.024 nan 8.230 nan 0.000 0.437 457 V N -0.860 119.060 119.914 0.009 0.000 2.379 457 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 457 V C 2.467 178.574 176.094 0.022 0.000 1.044 457 V CA 1.546 63.855 62.300 0.014 0.000 1.036 457 V CB -0.711 31.119 31.823 0.011 0.000 0.664 457 V HN 0.396 nan 8.190 nan 0.000 0.453 458 K N 0.332 120.743 120.400 0.020 0.000 2.009 458 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 458 K C 2.064 178.689 176.600 0.041 0.000 1.049 458 K CA 1.714 58.015 56.287 0.023 0.000 0.929 458 K CB -0.602 31.907 32.500 0.015 0.000 0.714 458 K HN 0.370 nan 8.250 nan 0.000 0.440 459 V N 1.200 121.144 119.914 0.051 0.000 2.867 459 V HA -0.177 3.943 4.120 -0.000 0.000 0.260 459 V C 2.189 178.381 176.094 0.164 0.000 1.099 459 V CA 1.421 63.783 62.300 0.103 0.000 1.122 459 V CB -0.568 31.301 31.823 0.078 0.000 0.708 459 V HN 0.277 nan 8.190 nan 0.000 0.490 460 R N -0.454 120.100 120.500 0.090 0.000 2.210 460 R HA 0.129 4.469 4.340 -0.000 0.000 0.203 460 R C 2.253 178.610 176.300 0.095 0.000 1.010 460 R CA 0.922 57.073 56.100 0.084 0.000 1.008 460 R CB -0.113 30.208 30.300 0.035 0.000 0.923 460 R HN 0.505 nan 8.270 nan 0.000 0.469 461 A N 0.483 123.345 122.820 0.069 0.000 1.898 461 A HA 0.049 4.368 4.320 -0.000 0.000 0.214 461 A C 2.021 179.631 177.584 0.043 0.000 1.183 461 A CA 1.196 53.262 52.037 0.048 0.000 0.622 461 A CB -0.326 18.691 19.000 0.028 0.000 0.824 461 A HN 0.345 nan 8.150 nan 0.000 0.444 462 A N -1.635 121.207 122.820 0.036 0.000 2.264 462 A HA -0.017 4.303 4.320 -0.000 0.000 0.207 462 A C 1.281 178.771 177.584 -0.156 0.000 1.196 462 A CA 0.686 52.695 52.037 -0.046 0.000 0.778 462 A CB -0.702 18.259 19.000 -0.065 0.000 0.779 462 A HN 0.638 nan 8.150 nan 0.000 0.483 463 H N -1.240 117.832 119.070 0.003 0.000 2.674 463 H HA 0.322 4.877 4.556 -0.000 0.000 0.274 463 H C 0.764 176.096 175.328 0.007 0.000 1.121 463 H CA 0.444 56.495 56.048 0.005 0.000 1.132 463 H CB 0.447 30.212 29.762 0.005 0.000 1.606 463 H HN 0.434 nan 8.280 nan 0.000 0.558 464 A N 1.677 124.542 122.820 0.075 0.000 3.052 464 A HA 0.195 4.515 4.320 -0.000 0.000 0.266 464 A C 1.407 179.013 177.584 0.038 0.000 1.855 464 A CA 0.618 52.688 52.037 0.055 0.000 1.473 464 A CB -0.744 18.277 19.000 0.036 0.000 1.038 464 A HN 0.548 nan 8.150 nan 0.000 0.619 465 S N 0.215 115.943 115.700 0.048 0.000 2.378 465 S HA -0.348 4.121 4.470 -0.000 0.000 0.240 465 S C 0.963 175.575 174.600 0.020 0.000 1.229 465 S CA 1.561 59.782 58.200 0.035 0.000 1.607 465 S CB -2.363 60.853 63.200 0.028 0.000 2.074 465 S HN 0.983 nan 8.310 nan 0.000 0.620 466 N N 3.369 122.073 118.700 0.008 0.000 2.185 466 N HA 0.424 5.164 4.740 -0.000 0.000 0.243 466 N C 1.280 176.777 175.510 -0.021 0.000 1.276 466 N CA 0.399 53.444 53.050 -0.007 0.000 0.941 466 N CB -1.148 37.331 38.487 -0.014 0.000 1.129 466 N HN 0.745 nan 8.380 nan 0.000 0.417 467 G N -0.900 107.872 108.800 -0.048 0.000 2.563 467 G HA2 0.106 4.066 3.960 -0.000 0.000 0.283 467 G HA3 0.106 4.066 3.960 -0.000 0.000 0.283 467 G C 0.355 175.148 174.900 -0.179 0.000 1.309 467 G CA -0.247 44.800 45.100 -0.087 0.000 1.022 467 G HN 0.458 nan 8.290 nan 0.000 0.501 468 N N -0.837 117.650 118.700 -0.355 0.000 2.407 468 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 468 N C 1.509 176.937 175.510 -0.138 0.000 1.079 468 N CA 0.790 53.703 53.050 -0.228 0.000 0.882 468 N CB 0.142 38.498 38.487 -0.219 0.000 1.106 468 N HN 0.798 nan 8.380 nan 0.000 0.461 469 K N -1.733 118.586 120.400 -0.135 0.000 3.596 469 K HA -0.219 4.101 4.320 -0.000 0.000 0.295 469 K C -0.015 176.694 176.600 0.181 0.000 1.230 469 K CA 1.672 58.075 56.287 0.192 0.000 1.029 469 K CB -1.975 30.586 32.500 0.101 0.000 1.303 469 K HN 0.211 nan 8.250 nan 0.000 0.442 470 c N 0.988 119.618 118.600 0.050 0.000 3.386 470 c HA 0.598 5.167 4.570 -0.000 0.000 0.279 470 c C 0.626 174.729 174.090 0.021 0.000 1.508 470 c CA -0.047 56.308 56.329 0.043 0.000 1.801 470 c CB 0.310 42.825 42.510 0.009 0.000 2.798 470 c HN 0.577 nan 8.230 nan 0.000 0.605 471 A N 0.925 123.730 122.820 -0.025 0.000 2.316 471 A HA 0.677 4.996 4.320 -0.000 0.000 0.311 471 A C 0.416 178.086 177.584 0.142 0.000 1.339 471 A CA 0.350 52.366 52.037 -0.034 0.000 0.960 471 A CB -0.090 18.753 19.000 -0.263 0.000 1.152 471 A HN 0.581 nan 8.150 nan 0.000 0.547 472 G N 0.766 109.608 108.800 0.071 0.000 2.733 472 G HA2 0.540 4.500 3.960 -0.000 0.000 0.288 472 G HA3 0.540 4.500 3.960 -0.000 0.000 0.288 472 G C -1.186 173.724 174.900 0.016 0.000 1.373 472 G CA -0.752 44.384 45.100 0.061 0.000 0.895 472 G HN 0.996 nan 8.290 nan 0.000 0.479 473 L N 1.099 122.319 121.223 -0.005 0.000 2.315 473 L HA 0.433 4.773 4.340 -0.000 0.000 0.283 473 L C -0.095 176.734 176.870 -0.068 0.000 1.089 473 L CA -0.924 53.898 54.840 -0.031 0.000 0.833 473 L CB 0.575 42.611 42.059 -0.038 0.000 1.170 473 L HN 0.408 nan 8.230 nan 0.000 0.442 474 N N 3.755 122.416 118.700 -0.065 0.000 2.408 474 N HA 0.081 4.821 4.740 -0.000 0.000 0.257 474 N C 0.936 176.343 175.510 -0.171 0.000 1.064 474 N CA 0.068 53.050 53.050 -0.115 0.000 0.952 474 N CB 1.557 40.026 38.487 -0.030 0.000 1.093 474 N HN 0.658 nan 8.380 nan 0.000 0.490 475 V N 1.998 121.696 119.914 -0.359 0.000 3.380 475 V HA 0.035 4.155 4.120 -0.000 0.000 0.268 475 V C 1.075 176.999 176.094 -0.284 0.000 1.168 475 V CA 0.972 63.066 62.300 -0.343 0.000 1.156 475 V CB -0.974 30.602 31.823 -0.412 0.000 0.785 475 V HN 0.342 nan 8.190 nan 0.000 0.487 476 F N 1.340 121.291 119.950 0.002 0.000 2.208 476 F HA 0.162 4.689 4.527 -0.000 0.000 0.282 476 F C 2.668 178.469 175.800 0.002 0.000 1.071 476 F CA 1.129 59.129 58.000 0.001 0.000 1.228 476 F CB -1.721 37.280 39.000 0.001 0.000 1.088 476 F HN 0.008 nan 8.300 nan 0.000 0.512 477 T N -0.189 114.477 114.554 0.186 0.000 2.564 477 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 477 T C 2.045 176.780 174.700 0.058 0.000 1.100 477 T CA 2.584 64.740 62.100 0.094 0.000 1.171 477 T CB -1.222 67.681 68.868 0.059 0.000 0.863 477 T HN 0.629 nan 8.240 nan 0.000 0.430 478 G N 0.925 109.740 108.800 0.025 0.000 2.254 478 G HA2 0.057 4.016 3.960 -0.000 0.000 0.225 478 G HA3 0.057 4.016 3.960 -0.000 0.000 0.225 478 G C 0.116 175.017 174.900 0.001 0.000 1.003 478 G CA 0.110 45.216 45.100 0.010 0.000 0.622 478 G HN 1.080 nan 8.290 nan 0.000 0.507 479 A N -0.385 122.439 122.820 0.007 0.000 2.350 479 A HA 0.882 5.202 4.320 -0.000 0.000 0.318 479 A C 0.283 177.868 177.584 0.001 0.000 1.132 479 A CA 0.205 52.245 52.037 0.004 0.000 0.811 479 A CB 1.857 20.862 19.000 0.009 0.000 1.313 479 A HN 1.695 nan 8.150 nan 0.000 0.454 480 V N 0.982 120.897 119.914 0.002 0.000 2.521 480 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 480 V C -0.024 176.071 176.094 0.002 0.000 1.034 480 V CA 0.573 62.875 62.300 0.003 0.000 1.045 480 V CB 0.098 31.927 31.823 0.010 0.000 0.974 480 V HN 0.952 nan 8.190 nan 0.000 0.480 481 E N 3.889 124.090 120.200 0.002 0.000 2.447 481 E HA 0.383 4.733 4.350 -0.000 0.000 0.258 481 E C -1.320 175.279 176.600 -0.002 0.000 0.916 481 E CA -0.926 55.475 56.400 0.002 0.000 0.846 481 E CB 1.256 30.962 29.700 0.011 0.000 1.517 481 E HN 0.720 nan 8.360 nan 0.000 0.418 482 D N 1.371 121.770 120.400 -0.002 0.000 2.428 482 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 482 D C 0.743 177.046 176.300 0.006 0.000 1.123 482 D CA -0.141 53.856 54.000 -0.005 0.000 0.869 482 D CB 0.792 41.586 40.800 -0.011 0.000 1.032 482 D HN 0.333 nan 8.370 nan 0.000 0.506 483 M N 1.899 121.505 119.600 0.011 0.000 2.213 483 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 483 M C 2.225 178.534 176.300 0.016 0.000 1.062 483 M CA 0.704 56.013 55.300 0.015 0.000 1.105 483 M CB -0.849 31.762 32.600 0.018 0.000 1.385 483 M HN 0.509 nan 8.290 nan 0.000 0.417 484 c N 0.451 119.059 118.600 0.013 0.000 2.422 484 c HA -0.133 4.436 4.570 -0.000 0.000 0.279 484 c C 2.528 176.625 174.090 0.012 0.000 1.305 484 c CA 0.866 57.202 56.329 0.012 0.000 1.757 484 c CB -0.935 41.581 42.510 0.010 0.000 1.962 484 c HN 0.564 nan 8.230 nan 0.000 0.499 485 E N 0.419 120.625 120.200 0.010 0.000 2.250 485 E HA -0.048 4.302 4.350 -0.000 0.000 0.192 485 E C 1.250 177.860 176.600 0.017 0.000 0.986 485 E CA 0.490 56.896 56.400 0.011 0.000 0.849 485 E CB -0.076 29.628 29.700 0.007 0.000 0.797 485 E HN 0.575 nan 8.360 nan 0.000 0.482 486 N N 0.069 118.782 118.700 0.022 0.000 2.461 486 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 486 N C 0.549 176.080 175.510 0.035 0.000 1.134 486 N CA 0.866 53.935 53.050 0.032 0.000 0.878 486 N CB 0.800 39.311 38.487 0.041 0.000 0.972 486 N HN 0.215 nan 8.380 nan 0.000 0.456 487 G N -0.302 108.514 108.800 0.027 0.000 2.182 487 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 487 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 487 G C -0.405 174.512 174.900 0.029 0.000 1.042 487 G CA 0.033 45.149 45.100 0.026 0.000 0.775 487 G HN 0.181 nan 8.290 nan 0.000 0.501 488 V N 1.089 121.018 119.914 0.026 0.000 2.259 488 V HA 0.588 4.708 4.120 -0.000 0.000 0.267 488 V C 0.627 176.731 176.094 0.016 0.000 1.051 488 V CA -0.074 62.240 62.300 0.023 0.000 0.830 488 V CB 1.006 32.839 31.823 0.018 0.000 1.080 488 V HN 1.038 nan 8.190 nan 0.000 0.467 489 V N 1.870 121.793 119.914 0.015 0.000 2.962 489 V HA 0.832 4.952 4.120 -0.000 0.000 0.313 489 V C -0.835 175.263 176.094 0.008 0.000 1.099 489 V CA -0.867 61.440 62.300 0.011 0.000 0.971 489 V CB 2.516 34.346 31.823 0.011 0.000 1.028 489 V HN 0.696 nan 8.190 nan 0.000 0.430 490 E N 2.380 122.583 120.200 0.005 0.000 2.308 490 E HA 0.528 4.878 4.350 -0.000 0.000 0.275 490 E C -2.993 173.608 176.600 0.002 0.000 0.890 490 E CA -1.945 54.457 56.400 0.003 0.000 0.754 490 E CB 2.892 32.591 29.700 -0.001 0.000 1.207 490 E HN 0.586 nan 8.360 nan 0.000 0.426 491 P HA -0.124 nan 4.420 nan 0.000 0.269 491 P C 0.343 177.643 177.300 -0.001 0.000 1.205 491 P CA -0.112 62.988 63.100 0.000 0.000 0.780 491 P CB 0.579 32.279 31.700 -0.001 0.000 0.858 492 L N 2.653 123.876 121.223 -0.001 0.000 2.156 492 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 492 L C 2.268 179.136 176.870 -0.004 0.000 1.095 492 L CA 1.615 56.453 54.840 -0.002 0.000 0.770 492 L CB -0.756 41.302 42.059 -0.002 0.000 0.914 492 L HN 0.248 nan 8.230 nan 0.000 0.439 493 R N -1.100 119.398 120.500 -0.003 0.000 2.200 493 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 493 R C 2.004 178.302 176.300 -0.005 0.000 1.127 493 R CA 1.428 57.526 56.100 -0.004 0.000 0.989 493 R CB -0.183 30.115 30.300 -0.003 0.000 0.869 493 R HN 0.356 nan 8.270 nan 0.000 0.459 494 V N 1.043 120.954 119.914 -0.005 0.000 2.358 494 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 494 V C 2.087 178.176 176.094 -0.009 0.000 1.047 494 V CA 1.718 64.013 62.300 -0.007 0.000 1.035 494 V CB -0.218 31.601 31.823 -0.007 0.000 0.658 494 V HN 0.292 nan 8.190 nan 0.000 0.452 495 K N 0.121 120.516 120.400 -0.008 0.000 2.262 495 K HA -0.007 4.313 4.320 -0.000 0.000 0.200 495 K C 2.211 178.809 176.600 -0.004 0.000 1.049 495 K CA 1.438 57.720 56.287 -0.009 0.000 0.979 495 K CB -0.435 32.060 32.500 -0.009 0.000 0.773 495 K HN 0.703 nan 8.250 nan 0.000 0.474 496 T N -0.381 114.171 114.554 -0.004 0.000 2.698 496 T HA -0.177 4.173 4.350 -0.000 0.000 0.260 496 T C 2.177 176.877 174.700 0.000 0.000 1.044 496 T CA 1.050 63.149 62.100 -0.002 0.000 1.149 496 T CB -0.271 68.593 68.868 -0.005 0.000 0.864 496 T HN 0.001 nan 8.240 nan 0.000 0.419 497 Q N 2.073 121.872 119.800 -0.002 0.000 2.077 497 Q HA -0.002 4.338 4.340 -0.000 0.000 0.206 497 Q C 2.430 178.429 176.000 -0.002 0.000 0.989 497 Q CA 2.343 58.145 55.803 -0.002 0.000 0.853 497 Q CB -1.090 27.646 28.738 -0.003 0.000 0.907 497 Q HN 0.686 nan 8.270 nan 0.000 0.418 498 A N -0.018 122.798 122.820 -0.007 0.000 1.877 498 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 498 A C 2.175 179.751 177.584 -0.014 0.000 1.186 498 A CA 1.591 53.620 52.037 -0.014 0.000 0.620 498 A CB -0.745 18.242 19.000 -0.021 0.000 0.822 498 A HN 0.498 nan 8.150 nan 0.000 0.443 499 I N -0.968 119.601 120.570 -0.001 0.000 2.394 499 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 499 I C 2.759 178.910 176.117 0.056 0.000 1.136 499 I CA 1.494 62.809 61.300 0.024 0.000 1.425 499 I CB -0.136 37.900 38.000 0.060 0.000 1.079 499 I HN 0.503 nan 8.210 nan 0.000 0.425 500 Q N 0.300 120.122 119.800 0.037 0.000 2.163 500 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 500 Q C 2.305 178.324 176.000 0.032 0.000 0.954 500 Q CA 1.617 57.444 55.803 0.041 0.000 0.851 500 Q CB 0.179 28.930 28.738 0.022 0.000 0.928 500 Q HN 0.533 nan 8.270 nan 0.000 0.459 501 S N 0.088 115.798 115.700 0.015 0.000 2.423 501 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 501 S C 1.961 176.564 174.600 0.005 0.000 1.014 501 S CA 0.743 58.949 58.200 0.010 0.000 0.965 501 S CB -0.143 63.059 63.200 0.003 0.000 0.785 501 S HN 0.426 nan 8.310 nan 0.000 0.495 502 A N 1.802 124.617 122.820 -0.009 0.000 1.968 502 A HA 0.443 4.763 4.320 -0.000 0.000 0.217 502 A C 2.404 179.973 177.584 -0.024 0.000 1.169 502 A CA 1.263 53.277 52.037 -0.038 0.000 0.638 502 A CB -1.135 17.814 19.000 -0.085 0.000 0.812 502 A HN 0.648 nan 8.150 nan 0.000 0.446 503 A N 0.018 122.854 122.820 0.027 0.000 1.854 503 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 503 A C 1.925 179.568 177.584 0.099 0.000 1.192 503 A CA 1.421 53.518 52.037 0.099 0.000 0.611 503 A CB -0.578 18.543 19.000 0.201 0.000 0.832 503 A HN 0.548 nan 8.150 nan 0.000 0.442 504 E N 0.336 120.579 120.200 0.072 0.000 2.058 504 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 504 E C 2.452 179.088 176.600 0.060 0.000 0.997 504 E CA 1.799 58.237 56.400 0.064 0.000 0.801 504 E CB -0.263 29.463 29.700 0.042 0.000 0.746 504 E HN 0.773 nan 8.360 nan 0.000 0.450 505 S N 0.744 116.470 115.700 0.044 0.000 2.357 505 S HA -0.151 4.319 4.470 -0.000 0.000 0.221 505 S C 2.347 176.978 174.600 0.052 0.000 1.031 505 S CA 1.748 59.971 58.200 0.039 0.000 0.982 505 S CB -0.792 62.421 63.200 0.022 0.000 0.853 505 S HN 0.375 nan 8.310 nan 0.000 0.458 506 T N -0.045 114.544 114.554 0.059 0.000 2.881 506 T HA -0.020 4.330 4.350 -0.000 0.000 0.270 506 T C 1.603 176.383 174.700 0.133 0.000 1.068 506 T CA 1.339 63.491 62.100 0.086 0.000 1.131 506 T CB -0.649 68.272 68.868 0.088 0.000 0.871 506 T HN 0.588 nan 8.240 nan 0.000 0.479 507 E N 1.172 121.463 120.200 0.152 0.000 2.051 507 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 507 E C 2.283 178.940 176.600 0.095 0.000 0.991 507 E CA 1.742 58.235 56.400 0.155 0.000 0.799 507 E CB -0.332 29.458 29.700 0.150 0.000 0.748 507 E HN 0.786 nan 8.360 nan 0.000 0.449 508 M N 0.139 119.784 119.600 0.075 0.000 2.229 508 M HA -0.102 4.377 4.480 -0.000 0.000 0.264 508 M C 1.885 178.216 176.300 0.051 0.000 1.063 508 M CA 1.459 56.793 55.300 0.056 0.000 1.114 508 M CB -0.091 32.537 32.600 0.046 0.000 1.387 508 M HN 0.049 nan 8.290 nan 0.000 0.420 509 L N 0.721 121.977 121.223 0.054 0.000 2.093 509 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 509 L C 2.423 179.318 176.870 0.042 0.000 1.085 509 L CA 1.134 56.002 54.840 0.046 0.000 0.755 509 L CB -0.493 41.590 42.059 0.041 0.000 0.904 509 L HN 0.440 nan 8.230 nan 0.000 0.435 510 L N -0.868 120.383 121.223 0.046 0.000 2.275 510 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 510 L C 2.448 179.331 176.870 0.020 0.000 1.119 510 L CA 0.745 55.601 54.840 0.026 0.000 0.790 510 L CB -0.391 41.679 42.059 0.018 0.000 0.919 510 L HN 0.180 nan 8.230 nan 0.000 0.443 511 R N -0.148 120.373 120.500 0.034 0.000 2.316 511 R HA 0.092 4.432 4.340 -0.000 0.000 0.202 511 R C 0.379 176.698 176.300 0.031 0.000 1.029 511 R CA 0.290 56.412 56.100 0.037 0.000 1.018 511 R CB -0.028 30.299 30.300 0.044 0.000 0.888 511 R HN 0.266 nan 8.270 nan 0.000 0.471 512 I N 1.793 122.381 120.570 0.030 0.000 2.395 512 I HA -0.033 4.137 4.170 -0.000 0.000 0.289 512 I C 0.602 176.734 176.117 0.026 0.000 1.023 512 I CA 0.033 61.352 61.300 0.032 0.000 1.350 512 I CB 1.298 39.324 38.000 0.043 0.000 1.409 512 I HN 0.099 nan 8.210 nan 0.000 0.507 513 D N 2.997 123.411 120.400 0.024 0.000 2.502 513 D HA 0.097 4.737 4.640 -0.000 0.000 0.232 513 D C -0.044 176.276 176.300 0.032 0.000 1.137 513 D CA 0.025 54.036 54.000 0.019 0.000 0.827 513 D CB 0.455 41.255 40.800 0.000 0.000 1.141 513 D HN 0.270 nan 8.370 nan 0.000 0.517 514 D N 0.303 120.723 120.400 0.033 0.000 2.738 514 D HA 0.462 5.102 4.640 -0.000 0.000 0.237 514 D C -1.099 175.217 176.300 0.026 0.000 1.123 514 D CA -0.595 53.424 54.000 0.031 0.000 0.856 514 D CB 2.816 43.624 40.800 0.014 0.000 1.552 514 D HN -0.174 nan 8.370 nan 0.000 0.480 515 V N 3.152 123.074 119.914 0.013 0.000 2.823 515 V HA 0.572 4.691 4.120 -0.000 0.000 0.312 515 V C 0.095 176.124 176.094 -0.109 0.000 1.072 515 V CA -0.766 61.520 62.300 -0.024 0.000 0.937 515 V CB 2.168 33.999 31.823 0.013 0.000 1.013 515 V HN 0.491 nan 8.190 nan 0.000 0.430 516 I N 2.855 123.361 120.570 -0.107 0.000 2.698 516 I HA 0.550 4.720 4.170 -0.000 0.000 0.276 516 I C 0.233 176.269 176.117 -0.136 0.000 1.166 516 I CA -0.249 60.974 61.300 -0.129 0.000 1.101 516 I CB 1.248 39.201 38.000 -0.078 0.000 1.305 516 I HN 0.700 nan 8.210 nan 0.000 0.526 517 A N 3.931 126.629 122.820 -0.204 0.000 2.301 517 A HA 0.889 5.209 4.320 -0.000 0.000 0.298 517 A C 0.150 177.656 177.584 -0.130 0.000 1.185 517 A CA -0.169 51.767 52.037 -0.167 0.000 0.830 517 A CB 0.791 19.663 19.000 -0.213 0.000 1.112 517 A HN 0.652 nan 8.150 nan 0.000 0.508 518 A N 1.580 124.348 122.820 -0.087 0.000 2.312 518 A HA 0.843 5.163 4.320 -0.000 0.000 0.310 518 A C 0.352 177.907 177.584 -0.050 0.000 1.139 518 A CA -0.054 51.945 52.037 -0.064 0.000 0.886 518 A CB 0.434 19.405 19.000 -0.048 0.000 1.350 518 A HN 1.223 nan 8.150 nan 0.000 0.479 519 E N 0.000 120.178 120.200 -0.037 0.000 2.725 519 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 519 E CA 0.000 56.384 56.400 -0.027 0.000 0.976 519 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440