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 3ooq_1_E DATA FIRST_RESID 6 DATA SEQUENCE KILFKNATVF PITSRPFKGD VLVSNGKVEK VGENIEDPDA EIVDLTGKFL DATA SEQUENCE FPGFVDAHSH IGLFEEGVGY YYSDGNEATD PVTPHVKALD GFNPQDPAIE DATA SEQUENCE RALAGGVTSV XIVPGSANPV GGQGSVIKFR SIIVEECIVK DPAGLKXAFG DATA SEQUENCE ENPKRVYGER KQTPSTRXGT AGVIRDYFTK VKNYXKKKEL AQKEGKEFTE DATA SEQUENCE TDLKXEVGEX VLRKKIPARX HAHRADDILT AIRIAEEFGF NLVIEHGTEA DATA SEQUENCE YKISKVLAEK KIPVVVGPLL TFRTKLELKD LTXETIAKLL KDGVLIALXC DATA SEQUENCE DHPVIPLEFA TVQAATAXRY GAKEEDLLKI LTVNPAKILG LEDRIGSIEP DATA SEQUENCE GKDADLVVWS GHPFDXKSVV ERVYIDGVEV FRR 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.526 176.600 -0.124 0.000 0.988 6 K CA 0.000 56.247 56.287 -0.067 0.000 0.838 6 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 7 I N 4.349 124.804 120.570 -0.192 0.000 2.436 7 I HA 0.384 4.553 4.170 -0.000 0.000 0.289 7 I C -1.145 174.702 176.117 -0.451 0.000 1.010 7 I CA -1.168 59.903 61.300 -0.383 0.000 1.098 7 I CB 1.711 39.368 38.000 -0.572 0.000 1.266 7 I HN 0.361 nan 8.210 nan 0.000 0.434 8 L N 7.449 128.413 121.223 -0.432 0.000 2.318 8 L HA 0.545 4.885 4.340 -0.000 0.000 0.277 8 L C -1.290 175.376 176.870 -0.340 0.000 1.008 8 L CA -0.080 54.583 54.840 -0.295 0.000 0.846 8 L CB 0.524 42.502 42.059 -0.135 0.000 1.220 8 L HN 0.229 nan 8.230 nan 0.000 0.423 9 F N 4.649 124.560 119.950 -0.065 0.000 2.421 9 F HA 0.444 4.971 4.527 -0.000 0.000 0.358 9 F C 0.630 176.408 175.800 -0.037 0.000 1.115 9 F CA -0.209 57.757 58.000 -0.057 0.000 1.160 9 F CB 0.637 39.589 39.000 -0.080 0.000 1.123 9 F HN 0.294 nan 8.300 nan 0.000 0.508 10 K N 2.616 123.092 120.400 0.126 0.000 2.221 10 K HA 0.274 4.594 4.320 -0.000 0.000 0.258 10 K C 0.244 176.873 176.600 0.049 0.000 0.944 10 K CA -0.736 55.591 56.287 0.067 0.000 0.823 10 K CB 1.458 33.978 32.500 0.034 0.000 1.113 10 K HN 0.672 nan 8.250 nan 0.000 0.431 11 N N -0.237 118.471 118.700 0.014 0.000 2.901 11 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 11 N C -0.634 174.842 175.510 -0.057 0.000 1.044 11 N CA 0.576 53.616 53.050 -0.016 0.000 0.847 11 N CB -0.383 38.108 38.487 0.006 0.000 1.127 11 N HN 0.772 nan 8.380 nan 0.000 0.562 12 A N 0.246 123.015 122.820 -0.084 0.000 2.332 12 A HA 0.446 4.766 4.320 -0.000 0.000 0.258 12 A C 0.588 177.999 177.584 -0.289 0.000 1.087 12 A CA 0.383 52.337 52.037 -0.138 0.000 0.802 12 A CB 0.363 19.298 19.000 -0.108 0.000 1.042 12 A HN 0.190 nan 8.150 nan 0.000 0.489 13 T N 1.793 116.114 114.554 -0.388 0.000 2.738 13 T HA 0.376 4.726 4.350 -0.000 0.000 0.293 13 T C 0.032 174.470 174.700 -0.436 0.000 0.913 13 T CA -0.016 61.768 62.100 -0.527 0.000 1.103 13 T CB -0.218 68.149 68.868 -0.836 0.000 0.880 13 T HN 0.387 nan 8.240 nan 0.000 0.526 14 V N 4.611 124.137 119.914 -0.646 0.000 2.509 14 V HA 0.419 4.539 4.120 -0.000 0.000 0.284 14 V C -0.302 175.459 176.094 -0.556 0.000 1.047 14 V CA -0.669 61.270 62.300 -0.602 0.000 0.952 14 V CB 0.843 32.132 31.823 -0.891 0.000 0.988 14 V HN 0.741 nan 8.190 nan 0.000 0.469 15 F N 5.791 125.371 119.950 -0.617 0.000 2.451 15 F HA 0.424 4.950 4.527 -0.000 0.000 0.367 15 F C -1.779 173.820 175.800 -0.335 0.000 1.100 15 F CA -2.080 55.567 58.000 -0.587 0.000 1.171 15 F CB 1.692 39.921 39.000 -1.284 0.000 1.405 15 F HN 0.402 nan 8.300 nan 0.000 0.482 16 P HA -0.068 nan 4.420 nan 0.000 0.229 16 P C 1.067 178.403 177.300 0.059 0.000 1.160 16 P CA 0.821 63.943 63.100 0.036 0.000 0.777 16 P CB 0.560 32.318 31.700 0.096 0.000 0.814 17 I N -2.710 117.908 120.570 0.079 0.000 4.300 17 I HA -0.340 3.829 4.170 -0.000 0.000 0.079 17 I C 1.511 177.682 176.117 0.090 0.000 0.562 17 I CA 2.549 63.923 61.300 0.124 0.000 1.126 17 I CB -2.924 35.170 38.000 0.157 0.000 1.002 17 I HN 0.153 nan 8.210 nan 0.000 0.174 18 T N -0.433 114.162 114.554 0.067 0.000 3.148 18 T HA 0.291 4.641 4.350 -0.000 0.000 0.253 18 T C 0.670 175.388 174.700 0.030 0.000 1.134 18 T CA 0.848 62.977 62.100 0.049 0.000 1.051 18 T CB -0.161 68.731 68.868 0.040 0.000 0.959 18 T HN 0.751 nan 8.240 nan 0.000 0.525 19 S N 0.666 116.383 115.700 0.027 0.000 2.638 19 S HA 0.605 5.075 4.470 -0.000 0.000 0.274 19 S C -0.488 174.111 174.600 -0.001 0.000 1.157 19 S CA -1.598 56.605 58.200 0.005 0.000 0.826 19 S CB 1.862 65.047 63.200 -0.024 0.000 1.139 19 S HN 0.656 nan 8.310 nan 0.000 0.474 20 R N -0.258 120.229 120.500 -0.021 0.000 2.734 20 R HA 0.433 4.773 4.340 -0.000 0.000 0.266 20 R C -2.767 173.472 176.300 -0.101 0.000 1.044 20 R CA -0.970 55.095 56.100 -0.058 0.000 1.128 20 R CB -1.105 29.169 30.300 -0.044 0.000 1.010 20 R HN 0.297 nan 8.270 nan 0.000 0.461 21 P HA 0.058 nan 4.420 nan 0.000 0.268 21 P C -1.163 176.006 177.300 -0.218 0.000 1.205 21 P CA 0.024 62.758 63.100 -0.610 0.000 0.771 21 P CB 0.259 31.155 31.700 -1.339 0.000 0.858 22 F N -0.855 118.883 119.950 -0.353 0.000 2.645 22 F HA 0.632 5.159 4.527 -0.000 0.000 0.310 22 F C -0.594 175.085 175.800 -0.202 0.000 1.102 22 F CA -1.899 55.967 58.000 -0.223 0.000 0.952 22 F CB 1.488 40.393 39.000 -0.158 0.000 1.326 22 F HN 0.041 nan 8.300 nan 0.000 0.456 23 K N 1.702 122.008 120.400 -0.157 0.000 2.312 23 K HA 0.679 4.998 4.320 -0.000 0.000 0.287 23 K C -0.091 176.459 176.600 -0.084 0.000 1.062 23 K CA 0.340 56.496 56.287 -0.218 0.000 0.934 23 K CB 0.380 32.818 32.500 -0.104 0.000 1.027 23 K HN 1.131 nan 8.250 nan 0.000 0.478 24 G N 2.799 111.454 108.800 -0.242 0.000 2.450 24 G HA2 0.167 4.127 3.960 -0.000 0.000 0.273 24 G HA3 0.167 4.127 3.960 -0.000 0.000 0.273 24 G C -1.756 173.134 174.900 -0.017 0.000 1.221 24 G CA -0.692 44.426 45.100 0.029 0.000 0.900 24 G HN 0.562 nan 8.290 nan 0.000 0.483 25 D N -0.479 119.999 120.400 0.129 0.000 2.433 25 D HA 0.640 5.279 4.640 -0.000 0.000 0.236 25 D C -0.774 175.607 176.300 0.136 0.000 1.026 25 D CA -0.322 53.740 54.000 0.102 0.000 0.884 25 D CB 2.448 43.302 40.800 0.089 0.000 1.384 25 D HN 0.298 nan 8.370 nan 0.000 0.477 26 V N 1.666 121.668 119.914 0.147 0.000 2.525 26 V HA 0.289 4.409 4.120 -0.000 0.000 0.299 26 V C -0.713 175.486 176.094 0.176 0.000 1.034 26 V CA -0.833 61.566 62.300 0.165 0.000 0.863 26 V CB 1.989 33.897 31.823 0.142 0.000 0.999 26 V HN 0.347 nan 8.190 nan 0.000 0.423 27 L N 6.402 127.682 121.223 0.095 0.000 2.295 27 L HA 0.793 5.133 4.340 -0.000 0.000 0.285 27 L C -0.595 176.298 176.870 0.039 0.000 1.035 27 L CA 0.148 55.006 54.840 0.030 0.000 0.806 27 L CB 1.702 43.765 42.059 0.006 0.000 1.214 27 L HN 0.448 nan 8.230 nan 0.000 0.426 28 V N 4.255 124.168 119.914 -0.002 0.000 2.604 28 V HA 0.859 4.979 4.120 -0.000 0.000 0.305 28 V C -0.511 175.571 176.094 -0.020 0.000 1.043 28 V CA -0.062 62.246 62.300 0.013 0.000 0.888 28 V CB 1.967 33.821 31.823 0.052 0.000 0.995 28 V HN 0.983 nan 8.190 nan 0.000 0.429 29 S N 2.260 117.960 115.700 0.000 0.000 2.547 29 S HA 0.493 4.963 4.470 -0.000 0.000 0.270 29 S C -0.379 174.227 174.600 0.010 0.000 1.150 29 S CA -0.614 57.584 58.200 -0.003 0.000 0.850 29 S CB 1.241 64.436 63.200 -0.009 0.000 1.118 29 S HN 0.863 nan 8.310 nan 0.000 0.461 30 N N 0.828 119.534 118.700 0.011 0.000 2.727 30 N HA -0.162 4.578 4.740 -0.000 0.000 0.249 30 N C 0.902 176.426 175.510 0.024 0.000 1.048 30 N CA 0.931 53.990 53.050 0.016 0.000 0.714 30 N CB -1.412 37.082 38.487 0.012 0.000 0.959 30 N HN 1.877 nan 8.380 nan 0.000 0.544 31 G N -1.431 107.388 108.800 0.032 0.000 2.155 31 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 31 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 31 G C -0.128 174.797 174.900 0.042 0.000 0.983 31 G CA 0.976 46.102 45.100 0.044 0.000 0.676 31 G HN 0.408 nan 8.290 nan 0.000 0.528 32 K N -0.235 120.186 120.400 0.035 0.000 2.435 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.251 32 K C 0.063 176.684 176.600 0.036 0.000 0.954 32 K CA -0.996 55.310 56.287 0.033 0.000 0.820 32 K CB 2.362 34.876 32.500 0.024 0.000 1.292 32 K HN 0.114 nan 8.250 nan 0.000 0.436 33 V N 2.307 122.244 119.914 0.038 0.000 2.493 33 V HA -0.055 4.065 4.120 -0.000 0.000 0.292 33 V C 1.756 177.869 176.094 0.032 0.000 1.016 33 V CA 0.630 62.955 62.300 0.042 0.000 1.097 33 V CB 0.357 32.205 31.823 0.041 0.000 0.947 33 V HN 0.841 nan 8.190 nan 0.000 0.479 34 E N 4.340 124.558 120.200 0.030 0.000 2.132 34 E HA 0.125 4.475 4.350 -0.000 0.000 0.193 34 E C 0.372 176.983 176.600 0.020 0.000 0.951 34 E CA 0.478 56.889 56.400 0.019 0.000 0.843 34 E CB 0.496 30.202 29.700 0.011 0.000 0.807 34 E HN 0.669 nan 8.360 nan 0.000 0.467 35 K N 0.442 120.859 120.400 0.029 0.000 2.464 35 K HA 0.455 4.775 4.320 -0.000 0.000 0.253 35 K C -1.527 175.106 176.600 0.056 0.000 0.933 35 K CA -0.723 55.581 56.287 0.030 0.000 0.801 35 K CB 3.034 35.546 32.500 0.020 0.000 1.271 35 K HN -0.136 nan 8.250 nan 0.000 0.430 36 V N 0.669 120.616 119.914 0.055 0.000 2.709 36 V HA 0.902 5.022 4.120 -0.000 0.000 0.308 36 V C -0.016 176.114 176.094 0.060 0.000 1.062 36 V CA -0.682 61.685 62.300 0.112 0.000 0.901 36 V CB 1.639 33.534 31.823 0.119 0.000 1.003 36 V HN 1.026 nan 8.190 nan 0.000 0.425 37 G N 2.326 111.211 108.800 0.142 0.000 2.328 37 G HA2 0.326 4.286 3.960 -0.000 0.000 0.299 37 G HA3 0.326 4.286 3.960 -0.000 0.000 0.299 37 G C -0.200 174.794 174.900 0.157 0.000 1.435 37 G CA -0.082 45.011 45.100 -0.011 0.000 0.865 37 G HN 0.617 nan 8.290 nan 0.000 0.601 38 E N -0.662 119.560 120.200 0.037 0.000 2.204 38 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 38 E C 0.741 177.401 176.600 0.100 0.000 0.989 38 E CA 0.936 57.414 56.400 0.129 0.000 0.824 38 E CB 0.011 29.725 29.700 0.024 0.000 0.756 38 E HN 0.387 nan 8.360 nan 0.000 0.477 39 N N -0.252 118.481 118.700 0.056 0.000 2.629 39 N HA 0.253 4.993 4.740 -0.000 0.000 0.277 39 N C -1.629 173.898 175.510 0.028 0.000 1.188 39 N CA -0.337 52.736 53.050 0.039 0.000 0.835 39 N CB 0.825 39.325 38.487 0.021 0.000 1.420 39 N HN -0.100 nan 8.380 nan 0.000 0.542 40 I N 1.393 121.983 120.570 0.034 0.000 2.562 40 I HA 0.452 4.622 4.170 -0.000 0.000 0.301 40 I C -0.247 175.876 176.117 0.010 0.000 1.003 40 I CA -0.561 60.752 61.300 0.021 0.000 1.127 40 I CB 2.064 40.081 38.000 0.029 0.000 1.304 40 I HN 0.357 nan 8.210 nan 0.000 0.446 41 E N 3.228 123.429 120.200 0.001 0.000 2.340 41 E HA 0.444 4.794 4.350 -0.000 0.000 0.273 41 E C -1.614 174.978 176.600 -0.012 0.000 0.891 41 E CA -0.725 55.671 56.400 -0.007 0.000 0.757 41 E CB 2.614 32.311 29.700 -0.005 0.000 1.231 41 E HN 0.464 nan 8.360 nan 0.000 0.439 42 D N 2.618 123.007 120.400 -0.019 0.000 2.548 42 D HA 0.145 4.784 4.640 -0.000 0.000 0.214 42 D C -2.192 174.092 176.300 -0.026 0.000 1.345 42 D CA -1.423 52.563 54.000 -0.023 0.000 0.945 42 D CB 1.856 42.637 40.800 -0.031 0.000 1.499 42 D HN 0.138 nan 8.370 nan 0.000 0.579 43 P HA 0.047 nan 4.420 nan 0.000 0.221 43 P C 0.473 177.759 177.300 -0.023 0.000 1.150 43 P CA 0.652 63.740 63.100 -0.020 0.000 0.800 43 P CB 0.535 32.226 31.700 -0.015 0.000 0.787 44 D N -0.904 119.481 120.400 -0.025 0.000 2.348 44 D HA 0.126 4.765 4.640 -0.000 0.000 0.211 44 D C 0.863 177.140 176.300 -0.038 0.000 0.998 44 D CA 0.194 54.177 54.000 -0.027 0.000 0.873 44 D CB -0.412 40.374 40.800 -0.022 0.000 0.925 44 D HN 0.087 nan 8.370 nan 0.000 0.524 45 A N 0.889 123.680 122.820 -0.049 0.000 2.425 45 A HA 0.091 4.411 4.320 -0.000 0.000 0.249 45 A C 0.506 178.042 177.584 -0.080 0.000 1.084 45 A CA -0.284 51.709 52.037 -0.073 0.000 0.781 45 A CB 0.273 19.219 19.000 -0.090 0.000 1.019 45 A HN 0.039 nan 8.150 nan 0.000 0.490 46 E N 1.396 121.536 120.200 -0.099 0.000 2.299 46 E HA 0.253 4.603 4.350 -0.000 0.000 0.272 46 E C -0.564 175.948 176.600 -0.147 0.000 1.043 46 E CA -0.322 56.018 56.400 -0.101 0.000 0.895 46 E CB 0.249 29.893 29.700 -0.093 0.000 1.011 46 E HN 0.553 nan 8.360 nan 0.000 0.432 47 I N 3.086 123.592 120.570 -0.107 0.000 2.365 47 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 47 I C -1.183 174.876 176.117 -0.097 0.000 1.004 47 I CA -0.489 60.742 61.300 -0.114 0.000 1.311 47 I CB 1.558 39.519 38.000 -0.064 0.000 1.401 47 I HN 0.125 nan 8.210 nan 0.000 0.491 48 V N 6.322 126.160 119.914 -0.127 0.000 2.357 48 V HA 0.299 4.419 4.120 -0.000 0.000 0.284 48 V C -0.539 175.598 176.094 0.071 0.000 1.018 48 V CA -0.449 61.844 62.300 -0.012 0.000 0.841 48 V CB 1.205 33.034 31.823 0.011 0.000 0.991 48 V HN 0.821 nan 8.190 nan 0.000 0.437 49 D N 4.828 125.272 120.400 0.074 0.000 2.339 49 D HA 0.278 4.918 4.640 -0.000 0.000 0.241 49 D C 0.351 176.712 176.300 0.102 0.000 1.183 49 D CA 0.042 54.086 54.000 0.073 0.000 0.859 49 D CB 0.970 41.799 40.800 0.049 0.000 1.067 49 D HN 0.462 nan 8.370 nan 0.000 0.484 50 L N 3.333 124.620 121.223 0.107 0.000 2.928 50 L HA 0.182 4.522 4.340 -0.000 0.000 0.246 50 L C 0.501 177.412 176.870 0.070 0.000 1.239 50 L CA -0.354 54.550 54.840 0.107 0.000 1.035 50 L CB 0.025 42.155 42.059 0.119 0.000 1.360 50 L HN 0.283 nan 8.230 nan 0.000 0.529 51 T N 0.933 115.521 114.554 0.057 0.000 2.849 51 T HA 0.124 4.474 4.350 -0.000 0.000 0.289 51 T C 1.360 176.100 174.700 0.067 0.000 1.010 51 T CA 1.223 63.349 62.100 0.044 0.000 1.161 51 T CB 0.695 69.587 68.868 0.040 0.000 0.989 51 T HN 0.696 nan 8.240 nan 0.000 0.523 52 G N 2.395 111.233 108.800 0.063 0.000 2.184 52 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 52 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 52 G C 0.197 175.222 174.900 0.208 0.000 0.975 52 G CA 0.152 45.323 45.100 0.119 0.000 0.642 52 G HN 0.605 nan 8.290 nan 0.000 0.536 53 K N -0.581 119.926 120.400 0.177 0.000 2.185 53 K HA 0.776 5.095 4.320 -0.000 0.000 0.240 53 K C -0.750 176.022 176.600 0.287 0.000 0.983 53 K CA -0.940 55.528 56.287 0.301 0.000 0.873 53 K CB 0.959 33.586 32.500 0.212 0.000 1.118 53 K HN 0.017 nan 8.250 nan 0.000 0.441 54 F N 1.043 121.103 119.950 0.184 0.000 2.444 54 F HA 0.340 4.867 4.527 -0.000 0.000 0.342 54 F C -0.137 175.819 175.800 0.260 0.000 1.121 54 F CA -1.060 57.080 58.000 0.233 0.000 0.997 54 F CB 1.134 40.323 39.000 0.315 0.000 1.130 54 F HN 0.148 nan 8.300 nan 0.000 0.454 55 L N 5.152 126.486 121.223 0.185 0.000 2.280 55 L HA 0.609 4.949 4.340 -0.000 0.000 0.287 55 L C -1.531 175.327 176.870 -0.020 0.000 1.023 55 L CA -0.151 54.735 54.840 0.077 0.000 0.819 55 L CB 0.047 42.033 42.059 -0.121 0.000 1.212 55 L HN 0.353 nan 8.230 nan 0.000 0.420 56 F N 5.808 125.772 119.950 0.024 0.000 2.556 56 F HA 0.699 5.226 4.527 -0.000 0.000 0.327 56 F C -1.916 173.823 175.800 -0.102 0.000 1.059 56 F CA -2.085 55.887 58.000 -0.047 0.000 0.953 56 F CB 1.317 40.217 39.000 -0.166 0.000 1.227 56 F HN 0.408 nan 8.300 nan 0.000 0.478 57 P HA 0.144 nan 4.420 nan 0.000 0.272 57 P C -0.240 176.991 177.300 -0.114 0.000 1.223 57 P CA -0.272 62.830 63.100 0.004 0.000 0.784 57 P CB 0.483 32.212 31.700 0.048 0.000 0.923 58 G N 1.490 110.237 108.800 -0.089 0.000 2.432 58 G HA2 0.236 4.196 3.960 -0.000 0.000 0.239 58 G HA3 0.236 4.196 3.960 -0.000 0.000 0.239 58 G C -0.450 174.395 174.900 -0.093 0.000 1.291 58 G CA -0.291 44.728 45.100 -0.135 0.000 0.863 58 G HN 0.213 nan 8.290 nan 0.000 0.560 59 F N 0.379 120.401 119.950 0.120 0.000 2.450 59 F HA 0.377 4.904 4.527 -0.000 0.000 0.339 59 F C 0.659 176.495 175.800 0.059 0.000 1.146 59 F CA -0.613 57.448 58.000 0.101 0.000 1.267 59 F CB 1.362 40.432 39.000 0.117 0.000 1.178 59 F HN 0.145 nan 8.300 nan 0.000 0.585 60 V N 2.188 122.263 119.914 0.269 0.000 2.444 60 V HA 0.236 4.355 4.120 -0.000 0.000 0.294 60 V C -0.729 175.429 176.094 0.107 0.000 1.022 60 V CA -0.875 61.499 62.300 0.123 0.000 0.850 60 V CB 1.600 33.475 31.823 0.087 0.000 0.992 60 V HN 0.617 nan 8.190 nan 0.000 0.426 61 D N 3.837 124.280 120.400 0.072 0.000 2.373 61 D HA 0.454 5.094 4.640 -0.000 0.000 0.227 61 D C 0.776 177.099 176.300 0.039 0.000 1.091 61 D CA -0.256 53.786 54.000 0.071 0.000 0.840 61 D CB 2.233 43.088 40.800 0.092 0.000 1.060 61 D HN 0.610 nan 8.370 nan 0.000 0.502 62 A N 4.007 126.858 122.820 0.052 0.000 2.239 62 A HA -0.086 4.234 4.320 -0.000 0.000 0.209 62 A C 0.728 178.355 177.584 0.072 0.000 1.171 62 A CA 0.708 52.771 52.037 0.043 0.000 0.768 62 A CB -0.104 18.924 19.000 0.047 0.000 0.790 62 A HN 0.643 nan 8.150 nan 0.000 0.478 63 H N -0.841 118.202 119.070 -0.045 0.000 3.287 63 H HA 0.506 5.062 4.556 -0.000 0.000 0.330 63 H C -1.880 173.376 175.328 -0.121 0.000 1.064 63 H CA 0.075 56.071 56.048 -0.087 0.000 1.544 63 H CB 0.894 30.601 29.762 -0.093 0.000 1.918 63 H HN 0.109 nan 8.280 nan 0.000 0.477 64 S N 2.866 118.374 115.700 -0.321 0.000 2.556 64 S HA 0.372 4.842 4.470 -0.000 0.000 0.271 64 S C -0.469 173.906 174.600 -0.375 0.000 1.135 64 S CA -0.508 57.559 58.200 -0.221 0.000 0.858 64 S CB 1.035 64.230 63.200 -0.008 0.000 1.114 64 S HN 0.748 nan 8.310 nan 0.000 0.468 65 H N 1.886 121.086 119.070 0.216 0.000 2.674 65 H HA 0.328 4.884 4.556 -0.000 0.000 0.274 65 H C 0.428 175.953 175.328 0.329 0.000 1.121 65 H CA -0.253 55.939 56.048 0.241 0.000 1.132 65 H CB 0.090 30.011 29.762 0.265 0.000 1.606 65 H HN 0.464 nan 8.280 nan 0.000 0.558 66 I N 1.008 121.787 120.570 0.348 0.000 2.815 66 I HA 0.001 4.171 4.170 -0.000 0.000 0.291 66 I C 1.414 177.746 176.117 0.359 0.000 1.209 66 I CA 1.691 63.117 61.300 0.209 0.000 1.431 66 I CB 0.432 38.336 38.000 -0.160 0.000 1.351 66 I HN 0.563 nan 8.210 nan 0.000 0.585 67 G N 5.297 114.201 108.800 0.173 0.000 2.304 67 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 67 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 67 G C 0.733 175.659 174.900 0.043 0.000 1.014 67 G CA 0.651 45.695 45.100 -0.094 0.000 0.619 67 G HN 0.578 nan 8.290 nan 0.000 0.525 68 L N -1.343 120.024 121.223 0.240 0.000 2.253 68 L HA 0.462 4.801 4.340 -0.000 0.000 0.205 68 L C 0.985 177.955 176.870 0.166 0.000 1.078 68 L CA 0.293 55.251 54.840 0.197 0.000 0.805 68 L CB 0.206 42.416 42.059 0.252 0.000 0.963 68 L HN 0.197 nan 8.230 nan 0.000 0.459 69 F N 1.996 121.992 119.950 0.076 0.000 2.318 69 F HA 0.269 4.796 4.527 -0.000 0.000 0.356 69 F C 0.642 176.447 175.800 0.008 0.000 1.109 69 F CA -1.595 56.410 58.000 0.008 0.000 1.234 69 F CB -0.029 38.962 39.000 -0.015 0.000 1.545 69 F HN -0.059 nan 8.300 nan 0.000 0.534 70 E N 3.237 123.592 120.200 0.260 0.000 2.529 70 E HA -0.084 4.266 4.350 -0.000 0.000 0.259 70 E C -0.171 176.542 176.600 0.189 0.000 0.966 70 E CA 0.147 56.635 56.400 0.147 0.000 0.937 70 E CB 0.540 30.258 29.700 0.030 0.000 0.923 70 E HN 0.690 nan 8.360 nan 0.000 0.468 71 E N 2.441 122.700 120.200 0.099 0.000 2.331 71 E HA 0.249 4.599 4.350 -0.000 0.000 0.272 71 E C 0.235 176.862 176.600 0.046 0.000 1.036 71 E CA 0.555 56.990 56.400 0.058 0.000 0.864 71 E CB 0.645 30.362 29.700 0.027 0.000 1.035 71 E HN 0.782 nan 8.360 nan 0.000 0.408 72 G N 2.255 111.087 108.800 0.055 0.000 2.160 72 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.244 72 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.244 72 G C 0.303 175.246 174.900 0.072 0.000 1.022 72 G CA 0.204 45.335 45.100 0.052 0.000 0.741 72 G HN 0.468 nan 8.290 nan 0.000 0.508 73 V N -1.166 118.822 119.914 0.124 0.000 3.245 73 V HA 0.666 4.786 4.120 -0.000 0.000 0.246 73 V C 1.247 177.532 176.094 0.318 0.000 1.487 73 V CA 1.601 63.996 62.300 0.157 0.000 1.154 73 V CB 0.745 32.609 31.823 0.068 0.000 0.971 73 V HN 2.267 nan 8.190 nan 0.000 0.443 74 G N -1.104 107.882 108.800 0.310 0.000 2.742 74 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 74 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 74 G C -0.266 174.819 174.900 0.309 0.000 1.220 74 G CA -0.100 45.201 45.100 0.335 0.000 0.783 74 G HN 0.037 nan 8.290 nan 0.000 0.646 75 Y N 0.457 120.877 120.300 0.199 0.000 2.173 75 Y HA -0.272 4.277 4.550 -0.000 0.000 0.282 75 Y C 2.716 178.531 175.900 -0.142 0.000 1.192 75 Y CA 3.112 61.238 58.100 0.043 0.000 1.176 75 Y CB -0.357 38.169 38.460 0.109 0.000 0.969 75 Y HN 0.798 nan 8.280 nan 0.000 0.519 76 Y N -1.070 119.192 120.300 -0.064 0.000 2.298 76 Y HA -0.317 4.233 4.550 -0.000 0.000 0.287 76 Y C 1.327 177.017 175.900 -0.351 0.000 1.164 76 Y CA 1.476 59.416 58.100 -0.268 0.000 1.229 76 Y CB -0.712 37.490 38.460 -0.431 0.000 0.977 76 Y HN 0.176 nan 8.280 nan 0.000 0.538 77 Y N -0.722 119.456 120.300 -0.203 0.000 2.466 77 Y HA 0.203 4.753 4.550 -0.000 0.000 0.272 77 Y C 1.436 177.126 175.900 -0.351 0.000 1.169 77 Y CA 0.208 58.144 58.100 -0.274 0.000 1.285 77 Y CB -0.426 37.977 38.460 -0.094 0.000 1.078 77 Y HN -0.115 nan 8.280 nan 0.000 0.523 78 S N 0.751 116.199 115.700 -0.419 0.000 2.549 78 S HA -0.038 4.432 4.470 -0.000 0.000 0.286 78 S C 0.780 175.187 174.600 -0.322 0.000 1.314 78 S CA -0.200 57.651 58.200 -0.582 0.000 1.062 78 S CB 0.273 62.813 63.200 -1.101 0.000 0.865 78 S HN 0.318 nan 8.310 nan 0.000 0.498 79 D N 3.599 123.881 120.400 -0.197 0.000 2.402 79 D HA 0.180 4.819 4.640 -0.000 0.000 0.216 79 D C 1.505 177.761 176.300 -0.073 0.000 1.128 79 D CA 0.153 54.085 54.000 -0.113 0.000 0.833 79 D CB 0.202 40.971 40.800 -0.053 0.000 0.971 79 D HN 0.733 nan 8.370 nan 0.000 0.503 80 G N 0.161 108.905 108.800 -0.093 0.000 2.623 80 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.214 80 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.214 80 G C 0.777 175.643 174.900 -0.058 0.000 1.138 80 G CA 0.028 45.106 45.100 -0.037 0.000 0.794 80 G HN 0.038 nan 8.290 nan 0.000 0.535 81 N N 0.653 119.302 118.700 -0.084 0.000 2.519 81 N HA 0.176 4.916 4.740 -0.000 0.000 0.286 81 N C -1.468 174.004 175.510 -0.063 0.000 1.079 81 N CA -0.432 52.580 53.050 -0.064 0.000 0.878 81 N CB 2.064 40.512 38.487 -0.064 0.000 1.375 81 N HN -0.040 nan 8.380 nan 0.000 0.514 82 E N 2.002 122.174 120.200 -0.047 0.000 1.972 82 E HA 0.239 4.589 4.350 -0.000 0.000 0.292 82 E C -0.047 176.560 176.600 0.012 0.000 1.193 82 E CA -0.354 56.024 56.400 -0.036 0.000 1.228 82 E CB -0.366 29.302 29.700 -0.053 0.000 1.167 82 E HN 0.557 nan 8.360 nan 0.000 0.479 83 A N 3.099 125.916 122.820 -0.006 0.000 2.916 83 A HA 0.110 4.430 4.320 -0.000 0.000 0.254 83 A C 0.988 178.582 177.584 0.018 0.000 1.544 83 A CA 0.338 52.377 52.037 0.003 0.000 1.224 83 A CB -0.688 18.242 19.000 -0.117 0.000 1.012 83 A HN 0.430 nan 8.150 nan 0.000 0.636 84 T N -3.757 110.866 114.554 0.114 0.000 3.145 84 T HA 0.342 4.692 4.350 -0.000 0.000 0.281 84 T C -0.399 174.415 174.700 0.189 0.000 1.003 84 T CA 0.179 62.350 62.100 0.118 0.000 0.901 84 T CB 0.168 69.065 68.868 0.049 0.000 1.112 84 T HN 0.307 nan 8.240 nan 0.000 0.535 85 D N 0.982 121.537 120.400 0.258 0.000 2.530 85 D HA 0.176 4.816 4.640 -0.000 0.000 0.193 85 D C -2.702 173.508 176.300 -0.151 0.000 1.243 85 D CA -1.205 52.817 54.000 0.036 0.000 0.803 85 D CB 2.149 42.956 40.800 0.011 0.000 1.955 85 D HN -0.151 nan 8.370 nan 0.000 0.529 86 P HA 0.032 nan 4.420 nan 0.000 0.237 86 P C 0.200 177.269 177.300 -0.385 0.000 1.178 86 P CA 0.248 62.894 63.100 -0.757 0.000 0.766 86 P CB 0.505 31.585 31.700 -1.034 0.000 0.876 87 V N 1.184 120.917 119.914 -0.302 0.000 2.327 87 V HA 0.194 4.314 4.120 -0.000 0.000 0.272 87 V C 0.476 176.444 176.094 -0.211 0.000 1.019 87 V CA -0.234 61.871 62.300 -0.325 0.000 0.814 87 V CB 0.943 32.553 31.823 -0.355 0.000 1.040 87 V HN 0.093 nan 8.190 nan 0.000 0.440 88 T N 0.965 115.425 114.554 -0.158 0.000 3.438 88 T HA 0.285 4.635 4.350 -0.000 0.000 0.244 88 T C -1.440 173.233 174.700 -0.046 0.000 1.269 88 T CA -1.380 60.727 62.100 0.011 0.000 1.371 88 T CB 1.029 69.876 68.868 -0.036 0.000 1.002 88 T HN 0.401 nan 8.240 nan 0.000 0.637 89 P HA -0.167 nan 4.420 nan 0.000 0.220 89 P C 1.473 178.765 177.300 -0.013 0.000 1.148 89 P CA 1.195 64.214 63.100 -0.134 0.000 0.803 89 P CB -0.140 31.404 31.700 -0.260 0.000 0.782 90 H N 0.274 119.275 119.070 -0.115 0.000 2.524 90 H HA 0.038 4.593 4.556 -0.000 0.000 0.282 90 H C 0.847 176.144 175.328 -0.051 0.000 1.016 90 H CA 0.296 56.302 56.048 -0.069 0.000 1.270 90 H CB -1.682 28.042 29.762 -0.064 0.000 1.394 90 H HN 0.025 nan 8.280 nan 0.000 0.568 91 V N -0.165 119.424 119.914 -0.542 0.000 2.732 91 V HA 0.400 4.519 4.120 -0.000 0.000 0.297 91 V C -0.193 175.797 176.094 -0.174 0.000 1.060 91 V CA -1.023 61.043 62.300 -0.391 0.000 1.038 91 V CB 1.424 33.007 31.823 -0.401 0.000 1.003 91 V HN 0.185 nan 8.190 nan 0.000 0.481 92 K N 3.396 123.728 120.400 -0.112 0.000 2.376 92 K HA 0.706 5.026 4.320 -0.000 0.000 0.257 92 K C 0.926 177.507 176.600 -0.030 0.000 0.939 92 K CA -0.171 56.081 56.287 -0.058 0.000 0.809 92 K CB 2.008 34.486 32.500 -0.038 0.000 1.121 92 K HN 0.832 nan 8.250 nan 0.000 0.425 93 A N 2.897 125.707 122.820 -0.016 0.000 1.958 93 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 93 A C 1.894 179.508 177.584 0.051 0.000 1.178 93 A CA 1.565 53.616 52.037 0.024 0.000 0.642 93 A CB -0.432 18.575 19.000 0.012 0.000 0.816 93 A HN 0.743 nan 8.150 nan 0.000 0.453 94 L N -0.045 121.186 121.223 0.012 0.000 2.081 94 L HA -0.192 4.147 4.340 -0.000 0.000 0.212 94 L C 1.100 178.022 176.870 0.085 0.000 1.080 94 L CA 2.354 57.213 54.840 0.033 0.000 0.754 94 L CB -0.439 41.617 42.059 -0.005 0.000 0.893 94 L HN 0.331 nan 8.230 nan 0.000 0.433 95 D N -0.991 119.437 120.400 0.047 0.000 2.363 95 D HA 0.054 4.694 4.640 -0.000 0.000 0.226 95 D C 1.703 178.029 176.300 0.044 0.000 1.020 95 D CA 1.020 55.042 54.000 0.038 0.000 0.892 95 D CB 0.146 40.948 40.800 0.003 0.000 0.900 95 D HN 0.498 nan 8.370 nan 0.000 0.531 96 G N -0.421 108.424 108.800 0.075 0.000 3.228 96 G HA2 0.037 3.997 3.960 -0.000 0.000 0.245 96 G HA3 0.037 3.997 3.960 -0.000 0.000 0.245 96 G C -0.061 174.909 174.900 0.118 0.000 1.051 96 G CA -0.403 44.736 45.100 0.066 0.000 0.809 96 G HN 0.087 nan 8.290 nan 0.000 0.531 97 F N 2.455 122.414 119.950 0.014 0.000 2.445 97 F HA 0.518 5.045 4.527 -0.000 0.000 0.359 97 F C -0.199 175.616 175.800 0.025 0.000 1.101 97 F CA -1.647 56.372 58.000 0.031 0.000 1.177 97 F CB 0.994 40.016 39.000 0.036 0.000 1.110 97 F HN -0.008 nan 8.300 nan 0.000 0.522 98 N N 8.321 126.658 118.700 -0.605 0.000 2.527 98 N HA 0.365 5.104 4.740 -0.000 0.000 0.236 98 N C -2.309 172.702 175.510 -0.833 0.000 0.999 98 N CA -2.635 50.100 53.050 -0.525 0.000 0.935 98 N CB 1.364 39.682 38.487 -0.282 0.000 1.132 98 N HN 0.258 nan 8.380 nan 0.000 0.511 99 P HA -0.026 nan 4.420 nan 0.000 0.234 99 P C 0.203 177.372 177.300 -0.218 0.000 1.167 99 P CA 1.064 63.939 63.100 -0.375 0.000 0.763 99 P CB 0.296 31.988 31.700 -0.014 0.000 0.835 100 Q N -1.192 118.479 119.800 -0.216 0.000 2.282 100 Q HA 0.037 4.377 4.340 -0.000 0.000 0.206 100 Q C 0.274 176.178 176.000 -0.161 0.000 0.878 100 Q CA -0.319 55.395 55.803 -0.149 0.000 0.944 100 Q CB -0.073 28.598 28.738 -0.111 0.000 1.100 100 Q HN 0.179 nan 8.270 nan 0.000 0.509 101 D N 2.434 122.705 120.400 -0.214 0.000 2.586 101 D HA -0.072 4.568 4.640 -0.000 0.000 0.234 101 D C -1.459 174.753 176.300 -0.146 0.000 1.132 101 D CA -1.169 52.732 54.000 -0.165 0.000 0.860 101 D CB 1.049 41.738 40.800 -0.185 0.000 1.159 101 D HN 0.015 nan 8.370 nan 0.000 0.490 102 P HA -0.091 nan 4.420 nan 0.000 0.225 102 P C 0.865 178.093 177.300 -0.119 0.000 1.148 102 P CA 0.813 63.856 63.100 -0.095 0.000 0.779 102 P CB 0.042 31.706 31.700 -0.060 0.000 0.780 103 A N -0.252 122.500 122.820 -0.113 0.000 2.070 103 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 103 A C 2.220 179.620 177.584 -0.306 0.000 1.159 103 A CA 0.901 52.856 52.037 -0.137 0.000 0.656 103 A CB -1.330 17.662 19.000 -0.013 0.000 0.800 103 A HN 0.146 nan 8.150 nan 0.000 0.453 104 I N -0.833 119.515 120.570 -0.370 0.000 2.193 104 I HA -0.220 3.949 4.170 -0.000 0.000 0.240 104 I C 2.508 178.305 176.117 -0.534 0.000 1.084 104 I CA 1.734 62.652 61.300 -0.637 0.000 1.365 104 I CB -0.343 37.321 38.000 -0.560 0.000 1.064 104 I HN 0.489 nan 8.210 nan 0.000 0.410 105 E N 1.510 121.524 120.200 -0.309 0.000 2.118 105 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 105 E C 2.235 178.672 176.600 -0.272 0.000 0.992 105 E CA 1.491 57.766 56.400 -0.208 0.000 0.804 105 E CB -0.008 29.645 29.700 -0.077 0.000 0.741 105 E HN 0.302 nan 8.360 nan 0.000 0.458 106 R N -0.153 120.190 120.500 -0.261 0.000 2.090 106 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 106 R C 2.461 178.565 176.300 -0.327 0.000 1.110 106 R CA 1.019 56.959 56.100 -0.268 0.000 0.973 106 R CB -0.334 29.832 30.300 -0.223 0.000 0.869 106 R HN 0.247 nan 8.270 nan 0.000 0.440 107 A N 1.351 123.962 122.820 -0.349 0.000 1.902 107 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 107 A C 2.158 179.601 177.584 -0.234 0.000 1.181 107 A CA 1.121 52.995 52.037 -0.272 0.000 0.623 107 A CB -0.517 18.289 19.000 -0.322 0.000 0.818 107 A HN 0.174 nan 8.150 nan 0.000 0.443 108 L N -0.833 120.176 121.223 -0.358 0.000 2.046 108 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 108 L C 2.970 179.392 176.870 -0.748 0.000 1.077 108 L CA 1.091 55.679 54.840 -0.419 0.000 0.747 108 L CB -0.443 41.367 42.059 -0.415 0.000 0.896 108 L HN 0.439 nan 8.230 nan 0.000 0.432 109 A N -0.278 122.005 122.820 -0.895 0.000 2.172 109 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 109 A C 2.072 179.392 177.584 -0.440 0.000 1.154 109 A CA 1.320 52.845 52.037 -0.853 0.000 0.701 109 A CB -0.711 17.977 19.000 -0.521 0.000 0.789 109 A HN 0.458 nan 8.150 nan 0.000 0.465 110 G N -2.118 106.518 108.800 -0.273 0.000 3.088 110 G HA2 0.387 4.346 3.960 -0.000 0.000 0.217 110 G HA3 0.387 4.346 3.960 -0.000 0.000 0.217 110 G C 1.035 176.046 174.900 0.185 0.000 1.159 110 G CA 0.407 45.506 45.100 -0.002 0.000 0.760 110 G HN 1.515 nan 8.290 nan 0.000 0.550 111 G N -0.935 107.823 108.800 -0.069 0.000 2.132 111 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 111 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 111 G C 0.094 175.074 174.900 0.133 0.000 0.989 111 G CA 0.092 45.199 45.100 0.011 0.000 0.676 111 G HN 0.718 nan 8.290 nan 0.000 0.522 112 V N 1.277 121.294 119.914 0.172 0.000 2.407 112 V HA 0.626 4.745 4.120 -0.000 0.000 0.278 112 V C 1.374 177.609 176.094 0.235 0.000 1.037 112 V CA 0.692 63.144 62.300 0.253 0.000 0.900 112 V CB 1.306 33.309 31.823 0.299 0.000 0.983 112 V HN 0.675 nan 8.190 nan 0.000 0.459 113 T N -0.256 114.354 114.554 0.094 0.000 2.964 113 T HA 0.209 4.558 4.350 -0.000 0.000 0.249 113 T C 0.646 175.150 174.700 -0.327 0.000 1.000 113 T CA -0.021 62.071 62.100 -0.014 0.000 0.992 113 T CB 0.454 69.317 68.868 -0.009 0.000 1.087 113 T HN 0.462 nan 8.240 nan 0.000 0.489 114 S N 0.905 116.440 115.700 -0.276 0.000 2.536 114 S HA 0.802 5.272 4.470 -0.000 0.000 0.287 114 S C -0.667 173.756 174.600 -0.296 0.000 1.101 114 S CA -0.548 57.441 58.200 -0.350 0.000 0.950 114 S CB 2.192 65.289 63.200 -0.172 0.000 1.056 114 S HN 0.724 nan 8.310 nan 0.000 0.481 118 V N 5.482 125.321 119.914 -0.124 0.000 3.012 118 V HA 0.673 4.793 4.120 -0.000 0.000 0.307 118 V C -2.434 173.717 176.094 0.095 0.000 1.166 118 V CA -1.720 60.522 62.300 -0.097 0.000 0.974 118 V CB 3.172 34.818 31.823 -0.294 0.000 1.040 118 V HN 0.801 nan 8.190 nan 0.000 0.428 119 P HA 0.275 nan 4.420 nan 0.000 0.271 119 P C 0.140 177.569 177.300 0.214 0.000 1.244 119 P CA 0.420 63.590 63.100 0.117 0.000 0.793 119 P CB 0.465 32.183 31.700 0.030 0.000 0.984 120 G N -0.311 108.531 108.800 0.070 0.000 2.546 120 G HA2 0.288 4.248 3.960 -0.000 0.000 0.239 120 G HA3 0.288 4.248 3.960 -0.000 0.000 0.239 120 G C 0.348 175.287 174.900 0.065 0.000 1.476 120 G CA 0.024 45.142 45.100 0.031 0.000 1.064 120 G HN 0.519 nan 8.290 nan 0.000 0.561 121 S N -1.482 114.202 115.700 -0.027 0.000 2.602 121 S HA 0.459 4.928 4.470 -0.000 0.000 0.240 121 S C 1.628 176.142 174.600 -0.144 0.000 0.992 121 S CA 0.707 58.779 58.200 -0.213 0.000 0.971 121 S CB 0.820 63.605 63.200 -0.691 0.000 0.855 121 S HN 0.811 nan 8.310 nan 0.000 0.481 122 A N 2.067 124.858 122.820 -0.049 0.000 1.969 122 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 122 A C 0.735 178.383 177.584 0.105 0.000 1.169 122 A CA 0.696 52.733 52.037 0.001 0.000 0.635 122 A CB -0.323 18.666 19.000 -0.018 0.000 0.810 122 A HN 0.536 nan 8.150 nan 0.000 0.445 123 N N -0.784 117.952 118.700 0.060 0.000 2.399 123 N HA 0.384 5.124 4.740 -0.000 0.000 0.295 123 N C -2.295 173.160 175.510 -0.091 0.000 1.048 123 N CA -2.182 50.893 53.050 0.042 0.000 0.886 123 N CB 1.292 39.772 38.487 -0.012 0.000 1.185 123 N HN -0.153 nan 8.380 nan 0.000 0.487 124 P HA -0.134 nan 4.420 nan 0.000 0.216 124 P C -0.246 176.900 177.300 -0.257 0.000 1.154 124 P CA 1.247 64.191 63.100 -0.259 0.000 0.865 124 P CB 0.422 31.961 31.700 -0.268 0.000 0.789 125 V N -1.013 118.742 119.914 -0.265 0.000 2.376 125 V HA 0.485 4.605 4.120 -0.000 0.000 0.287 125 V C 1.211 177.177 176.094 -0.213 0.000 1.015 125 V CA -0.047 62.083 62.300 -0.284 0.000 0.834 125 V CB 1.111 32.620 31.823 -0.523 0.000 1.001 125 V HN 0.041 nan 8.190 nan 0.000 0.428 126 G N 2.301 111.020 108.800 -0.134 0.000 2.709 126 G HA2 0.583 4.543 3.960 -0.000 0.000 0.208 126 G HA3 0.583 4.543 3.960 -0.000 0.000 0.208 126 G C 0.587 175.433 174.900 -0.090 0.000 1.129 126 G CA 0.559 45.607 45.100 -0.086 0.000 0.793 126 G HN 1.407 nan 8.290 nan 0.000 0.524 127 G N -0.847 107.895 108.800 -0.096 0.000 2.331 127 G HA2 0.103 4.063 3.960 -0.000 0.000 0.402 127 G HA3 0.103 4.063 3.960 -0.000 0.000 0.402 127 G C -1.232 173.635 174.900 -0.056 0.000 1.275 127 G CA -0.965 44.079 45.100 -0.093 0.000 1.003 127 G HN 0.365 nan 8.290 nan 0.000 0.500 128 Q N -0.259 119.509 119.800 -0.053 0.000 2.243 128 Q HA 0.544 4.884 4.340 -0.000 0.000 0.252 128 Q C 0.684 176.663 176.000 -0.036 0.000 0.909 128 Q CA 0.018 55.801 55.803 -0.035 0.000 0.922 128 Q CB 1.722 30.442 28.738 -0.030 0.000 1.215 128 Q HN 0.962 nan 8.270 nan 0.000 0.427 129 G N 0.942 109.721 108.800 -0.036 0.000 2.476 129 G HA2 0.495 4.454 3.960 -0.000 0.000 0.286 129 G HA3 0.495 4.454 3.960 -0.000 0.000 0.286 129 G C -0.710 174.151 174.900 -0.064 0.000 1.177 129 G CA -0.354 44.711 45.100 -0.059 0.000 0.870 129 G HN 0.479 nan 8.290 nan 0.000 0.528 130 S N -1.101 114.543 115.700 -0.094 0.000 2.541 130 S HA 0.477 4.947 4.470 -0.000 0.000 0.280 130 S C -0.410 174.105 174.600 -0.142 0.000 1.112 130 S CA -0.529 57.607 58.200 -0.105 0.000 0.925 130 S CB 2.044 65.173 63.200 -0.119 0.000 1.067 130 S HN 0.525 nan 8.310 nan 0.000 0.479 131 V N 3.606 123.446 119.914 -0.124 0.000 2.498 131 V HA 0.516 4.635 4.120 -0.000 0.000 0.279 131 V C -0.116 175.866 176.094 -0.187 0.000 1.048 131 V CA -0.353 61.857 62.300 -0.149 0.000 0.967 131 V CB 0.184 31.944 31.823 -0.104 0.000 0.988 131 V HN 0.763 nan 8.190 nan 0.000 0.473 132 I N 2.315 122.726 120.570 -0.265 0.000 2.934 132 I HA 0.737 4.907 4.170 -0.000 0.000 0.306 132 I C -0.631 175.276 176.117 -0.350 0.000 1.110 132 I CA -0.912 60.207 61.300 -0.301 0.000 1.019 132 I CB 2.136 39.871 38.000 -0.442 0.000 1.227 132 I HN 0.371 nan 8.210 nan 0.000 0.434 133 K N 2.546 122.784 120.400 -0.271 0.000 2.208 133 K HA 0.495 4.815 4.320 -0.000 0.000 0.247 133 K C -1.275 175.218 176.600 -0.179 0.000 0.953 133 K CA -0.626 55.475 56.287 -0.308 0.000 0.837 133 K CB 1.579 33.994 32.500 -0.142 0.000 1.131 133 K HN 0.441 nan 8.250 nan 0.000 0.431 134 F N 2.695 122.657 119.950 0.021 0.000 2.651 134 F HA 0.132 4.659 4.527 -0.000 0.000 0.369 134 F C 1.310 177.137 175.800 0.045 0.000 1.187 134 F CA -0.377 57.656 58.000 0.054 0.000 1.335 134 F CB -0.701 38.318 39.000 0.031 0.000 1.707 134 F HN 0.422 nan 8.300 nan 0.000 0.637 135 R N -1.340 119.269 120.500 0.182 0.000 2.308 135 R HA 0.335 4.674 4.340 -0.000 0.000 0.202 135 R C 0.505 176.869 176.300 0.106 0.000 0.898 135 R CA 0.060 56.231 56.100 0.119 0.000 1.046 135 R CB 0.550 30.894 30.300 0.072 0.000 1.026 135 R HN 0.219 nan 8.270 nan 0.000 0.512 136 S N 0.030 115.806 115.700 0.126 0.000 2.578 136 S HA 0.218 4.688 4.470 -0.000 0.000 0.272 136 S C 0.146 174.810 174.600 0.107 0.000 1.145 136 S CA -0.985 57.272 58.200 0.095 0.000 0.835 136 S CB 1.094 64.341 63.200 0.078 0.000 1.104 136 S HN 0.325 nan 8.310 nan 0.000 0.458 137 I N 0.866 121.476 120.570 0.068 0.000 3.291 137 I HA 0.435 4.605 4.170 -0.000 0.000 0.279 137 I C -0.086 176.068 176.117 0.061 0.000 1.294 137 I CA 0.529 61.858 61.300 0.049 0.000 1.428 137 I CB -0.165 37.845 38.000 0.016 0.000 1.070 137 I HN 0.404 nan 8.210 nan 0.000 0.478 138 I N 1.484 122.097 120.570 0.072 0.000 2.291 138 I HA 0.082 4.252 4.170 -0.000 0.000 0.290 138 I C 1.272 177.449 176.117 0.100 0.000 1.050 138 I CA -0.287 61.055 61.300 0.070 0.000 1.245 138 I CB 1.890 39.920 38.000 0.049 0.000 1.405 138 I HN -0.021 nan 8.210 nan 0.000 0.478 139 V N 5.838 125.828 119.914 0.127 0.000 2.392 139 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 139 V C 2.164 178.308 176.094 0.083 0.000 1.059 139 V CA 2.306 64.707 62.300 0.168 0.000 1.051 139 V CB -0.155 31.802 31.823 0.223 0.000 0.658 139 V HN 0.867 nan 8.190 nan 0.000 0.455 140 E N -0.597 119.638 120.200 0.059 0.000 2.153 140 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 140 E C 2.137 178.752 176.600 0.026 0.000 0.988 140 E CA 1.490 57.910 56.400 0.032 0.000 0.811 140 E CB -0.052 29.666 29.700 0.029 0.000 0.746 140 E HN 0.732 nan 8.360 nan 0.000 0.466 141 E N -0.715 119.507 120.200 0.037 0.000 2.274 141 E HA -0.133 4.216 4.350 -0.000 0.000 0.194 141 E C 1.831 178.448 176.600 0.028 0.000 0.996 141 E CA 0.601 57.021 56.400 0.033 0.000 0.840 141 E CB 0.090 29.815 29.700 0.041 0.000 0.772 141 E HN 0.346 nan 8.360 nan 0.000 0.491 142 C N 0.982 120.302 119.300 0.035 0.000 2.468 142 C HA 0.073 4.533 4.460 -0.000 0.000 0.277 142 C C 1.163 176.118 174.990 -0.057 0.000 1.400 142 C CA -0.640 58.382 59.018 0.006 0.000 1.770 142 C CB -0.437 27.330 27.740 0.044 0.000 1.905 142 C HN 0.287 nan 8.230 nan 0.000 0.519 143 I N 1.958 122.499 120.570 -0.047 0.000 2.668 143 I HA 0.007 4.177 4.170 -0.000 0.000 0.285 143 I C 1.093 177.174 176.117 -0.060 0.000 1.168 143 I CA 0.859 62.118 61.300 -0.068 0.000 1.424 143 I CB 0.595 38.570 38.000 -0.042 0.000 1.377 143 I HN 0.085 nan 8.210 nan 0.000 0.560 144 V N 5.840 125.708 119.914 -0.078 0.000 2.690 144 V HA 0.109 4.229 4.120 -0.000 0.000 0.240 144 V C 0.673 176.739 176.094 -0.046 0.000 1.078 144 V CA 0.589 62.853 62.300 -0.059 0.000 1.102 144 V CB -0.062 31.718 31.823 -0.072 0.000 0.800 144 V HN 0.730 nan 8.190 nan 0.000 0.479 145 K N 0.787 121.153 120.400 -0.056 0.000 2.615 145 K HA 0.477 4.796 4.320 -0.000 0.000 0.249 145 K C -2.159 174.414 176.600 -0.045 0.000 0.977 145 K CA -0.355 55.908 56.287 -0.040 0.000 0.833 145 K CB 1.826 34.306 32.500 -0.034 0.000 1.208 145 K HN 0.271 nan 8.250 nan 0.000 0.443 146 D N 4.530 124.911 120.400 -0.031 0.000 2.970 146 D HA 0.384 5.024 4.640 -0.000 0.000 0.230 146 D C -2.328 173.964 176.300 -0.013 0.000 1.276 146 D CA -1.203 52.779 54.000 -0.030 0.000 0.910 146 D CB 1.462 42.242 40.800 -0.034 0.000 1.590 146 D HN 0.286 nan 8.370 nan 0.000 0.551 147 P HA 0.398 nan 4.420 nan 0.000 0.274 147 P C -0.470 176.823 177.300 -0.012 0.000 1.246 147 P CA -0.589 62.503 63.100 -0.013 0.000 0.795 147 P CB 1.683 33.381 31.700 -0.003 0.000 1.006 148 A N -0.013 122.795 122.820 -0.019 0.000 2.382 148 A HA 0.588 4.908 4.320 -0.000 0.000 0.228 148 A C 0.759 178.343 177.584 0.000 0.000 1.217 148 A CA 0.688 52.717 52.037 -0.014 0.000 0.923 148 A CB -0.038 18.943 19.000 -0.033 0.000 0.979 148 A HN 0.866 nan 8.150 nan 0.000 0.515 149 G N -1.141 107.660 108.800 0.003 0.000 2.355 149 G HA2 0.467 4.427 3.960 -0.000 0.000 0.296 149 G HA3 0.467 4.427 3.960 -0.000 0.000 0.296 149 G C -2.097 172.811 174.900 0.013 0.000 1.507 149 G CA -0.515 44.595 45.100 0.017 0.000 0.823 149 G HN 0.700 nan 8.290 nan 0.000 0.569 150 L N 0.745 121.982 121.223 0.023 0.000 2.316 150 L HA 0.805 5.144 4.340 -0.000 0.000 0.280 150 L C 0.294 177.183 176.870 0.032 0.000 1.006 150 L CA -0.948 53.900 54.840 0.013 0.000 0.836 150 L CB 1.194 43.261 42.059 0.012 0.000 1.221 150 L HN 0.710 nan 8.230 nan 0.000 0.418 154 F N 0.954 121.057 119.950 0.256 0.000 2.618 154 F HA 0.860 5.387 4.527 -0.000 0.000 0.332 154 F C 1.136 177.082 175.800 0.244 0.000 1.061 154 F CA 0.575 58.696 58.000 0.202 0.000 0.974 154 F CB 2.003 41.099 39.000 0.161 0.000 1.310 154 F HN 1.823 nan 8.300 nan 0.000 0.491 155 G N 0.933 109.958 108.800 0.375 0.000 2.499 155 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.232 155 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.232 155 G C 0.598 175.627 174.900 0.216 0.000 1.251 155 G CA 0.134 45.403 45.100 0.282 0.000 0.917 155 G HN 0.627 nan 8.290 nan 0.000 0.580 156 E N 0.465 120.786 120.200 0.202 0.000 2.106 156 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 156 E C 2.419 179.094 176.600 0.125 0.000 0.984 156 E CA 1.268 57.752 56.400 0.139 0.000 0.806 156 E CB -0.144 29.622 29.700 0.109 0.000 0.750 156 E HN 0.389 nan 8.360 nan 0.000 0.458 157 N N 0.457 119.250 118.700 0.154 0.000 2.039 157 N HA -0.106 4.633 4.740 -0.000 0.000 0.193 157 N C -1.029 174.518 175.510 0.061 0.000 1.044 157 N CA 1.296 54.399 53.050 0.089 0.000 0.847 157 N CB -1.523 36.999 38.487 0.058 0.000 1.030 157 N HN 0.201 nan 8.380 nan 0.000 0.422 158 P HA -0.136 nan 4.420 nan 0.000 0.217 158 P C 1.124 178.520 177.300 0.160 0.000 1.150 158 P CA 1.688 64.858 63.100 0.115 0.000 0.832 158 P CB -0.037 31.694 31.700 0.051 0.000 0.787 159 K N 0.322 120.790 120.400 0.113 0.000 2.217 159 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 159 K C 2.406 179.053 176.600 0.077 0.000 1.051 159 K CA 0.646 56.997 56.287 0.107 0.000 0.952 159 K CB -0.455 32.099 32.500 0.090 0.000 0.736 159 K HN -0.066 nan 8.250 nan 0.000 0.453 160 R N 1.430 121.962 120.500 0.053 0.000 2.062 160 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 160 R C 2.054 178.334 176.300 -0.033 0.000 1.136 160 R CA 1.464 57.574 56.100 0.016 0.000 0.948 160 R CB -0.379 29.931 30.300 0.016 0.000 0.845 160 R HN 0.102 nan 8.270 nan 0.000 0.430 161 V N 0.516 120.386 119.914 -0.073 0.000 2.252 161 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 161 V C 2.063 177.906 176.094 -0.420 0.000 1.056 161 V CA 2.020 64.163 62.300 -0.262 0.000 1.022 161 V CB -0.675 30.945 31.823 -0.337 0.000 0.641 161 V HN 0.384 nan 8.190 nan 0.000 0.445 162 Y N 0.811 121.102 120.300 -0.015 0.000 2.365 162 Y HA 0.130 4.680 4.550 -0.000 0.000 0.293 162 Y C 2.501 178.397 175.900 -0.007 0.000 1.119 162 Y CA 0.911 59.002 58.100 -0.015 0.000 1.203 162 Y CB -1.043 37.404 38.460 -0.022 0.000 1.026 162 Y HN 0.247 nan 8.280 nan 0.000 0.549 163 G N 0.446 109.297 108.800 0.085 0.000 2.440 163 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.218 163 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.218 163 G C 1.492 176.400 174.900 0.013 0.000 1.154 163 G CA 1.420 46.550 45.100 0.049 0.000 0.767 163 G HN 0.445 nan 8.290 nan 0.000 0.552 164 E N 0.802 120.988 120.200 -0.024 0.000 2.153 164 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 164 E C 2.314 178.890 176.600 -0.041 0.000 0.988 164 E CA 0.906 57.282 56.400 -0.040 0.000 0.811 164 E CB -0.361 29.301 29.700 -0.063 0.000 0.746 164 E HN 0.431 nan 8.360 nan 0.000 0.466 165 R N -0.048 120.421 120.500 -0.052 0.000 2.323 165 R HA 0.084 4.424 4.340 -0.000 0.000 0.198 165 R C -0.000 176.314 176.300 0.024 0.000 0.988 165 R CA 0.498 56.585 56.100 -0.022 0.000 1.041 165 R CB 0.047 30.331 30.300 -0.028 0.000 0.926 165 R HN -0.046 nan 8.270 nan 0.000 0.476 166 K N 0.721 121.138 120.400 0.028 0.000 3.117 166 K HA -0.224 4.096 4.320 -0.000 0.000 0.269 166 K C -0.657 175.976 176.600 0.054 0.000 1.098 166 K CA 0.878 57.186 56.287 0.035 0.000 0.785 166 K CB -1.405 31.108 32.500 0.022 0.000 1.242 166 K HN 0.414 nan 8.250 nan 0.000 0.491 167 Q N -0.540 119.314 119.800 0.091 0.000 2.397 167 Q HA 0.438 4.778 4.340 -0.000 0.000 0.275 167 Q C -0.878 175.187 176.000 0.108 0.000 1.090 167 Q CA -0.723 55.145 55.803 0.108 0.000 0.809 167 Q CB 1.533 30.377 28.738 0.177 0.000 1.362 167 Q HN 0.159 nan 8.270 nan 0.000 0.431 168 T N 4.901 119.482 114.554 0.046 0.000 2.902 168 T HA 0.214 4.563 4.350 -0.000 0.000 0.301 168 T C -2.350 172.322 174.700 -0.046 0.000 1.012 168 T CA -0.513 61.594 62.100 0.012 0.000 1.151 168 T CB 0.346 69.204 68.868 -0.016 0.000 0.946 168 T HN 0.402 nan 8.240 nan 0.000 0.542 169 P HA 0.340 nan 4.420 nan 0.000 0.292 169 P C 0.044 177.401 177.300 0.095 0.000 1.283 169 P CA -0.766 62.355 63.100 0.036 0.000 0.835 169 P CB 1.458 33.164 31.700 0.011 0.000 1.017 170 S N 0.152 115.896 115.700 0.073 0.000 2.559 170 S HA 0.213 4.682 4.470 -0.000 0.000 0.226 170 S C 0.568 175.205 174.600 0.062 0.000 1.000 170 S CA -0.017 58.225 58.200 0.071 0.000 0.948 170 S CB -0.579 62.655 63.200 0.057 0.000 0.870 170 S HN 0.636 nan 8.310 nan 0.000 0.497 171 T N -1.063 113.529 114.554 0.063 0.000 2.864 171 T HA 0.605 4.954 4.350 -0.000 0.000 0.299 171 T C -0.349 174.398 174.700 0.078 0.000 1.166 171 T CA -1.050 61.089 62.100 0.065 0.000 1.007 171 T CB 1.730 70.632 68.868 0.057 0.000 1.219 171 T HN 0.151 nan 8.240 nan 0.000 0.506 175 T N 2.124 116.702 114.554 0.040 0.000 2.708 175 T HA 0.078 4.428 4.350 -0.000 0.000 0.266 175 T C 2.743 177.449 174.700 0.010 0.000 1.037 175 T CA 2.390 64.484 62.100 -0.010 0.000 1.146 175 T CB -0.407 68.459 68.868 -0.004 0.000 0.865 175 T HN 0.553 nan 8.240 nan 0.000 0.435 176 A N 1.458 124.356 122.820 0.131 0.000 1.883 176 A HA 0.052 4.371 4.320 -0.000 0.000 0.217 176 A C 2.642 180.328 177.584 0.169 0.000 1.186 176 A CA 2.020 54.193 52.037 0.225 0.000 0.624 176 A CB -1.471 17.689 19.000 0.267 0.000 0.822 176 A HN 0.519 nan 8.150 nan 0.000 0.444 177 G N -0.644 108.228 108.800 0.119 0.000 2.440 177 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.218 177 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.218 177 G C 1.529 176.474 174.900 0.077 0.000 1.154 177 G CA 1.297 46.458 45.100 0.101 0.000 0.767 177 G HN 0.337 nan 8.290 nan 0.000 0.552 178 V N 0.943 120.873 119.914 0.027 0.000 2.343 178 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 178 V C 2.789 178.885 176.094 0.004 0.000 1.051 178 V CA 1.567 63.854 62.300 -0.022 0.000 1.036 178 V CB -0.292 31.470 31.823 -0.102 0.000 0.654 178 V HN 0.408 nan 8.190 nan 0.000 0.451 179 I N -0.893 119.697 120.570 0.034 0.000 2.252 179 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 179 I C 2.757 179.001 176.117 0.212 0.000 1.102 179 I CA 1.390 62.756 61.300 0.110 0.000 1.385 179 I CB -0.413 37.677 38.000 0.150 0.000 1.064 179 I HN 0.167 nan 8.210 nan 0.000 0.414 180 R N 0.568 121.212 120.500 0.241 0.000 2.081 180 R HA -0.228 4.111 4.340 -0.000 0.000 0.235 180 R C 1.953 178.367 176.300 0.190 0.000 1.131 180 R CA 2.192 58.473 56.100 0.302 0.000 0.960 180 R CB -0.368 30.151 30.300 0.365 0.000 0.856 180 R HN 0.370 nan 8.270 nan 0.000 0.436 181 D N -0.523 119.956 120.400 0.132 0.000 2.117 181 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 181 D C 1.821 178.132 176.300 0.018 0.000 0.987 181 D CA 1.008 55.059 54.000 0.084 0.000 0.829 181 D CB -0.124 40.712 40.800 0.060 0.000 0.961 181 D HN 0.204 nan 8.370 nan 0.000 0.460 182 Y N 0.050 120.255 120.300 -0.157 0.000 2.097 182 Y HA -0.209 4.341 4.550 -0.000 0.000 0.282 182 Y C 1.712 177.371 175.900 -0.402 0.000 1.152 182 Y CA 1.725 59.633 58.100 -0.320 0.000 1.136 182 Y CB -0.764 37.419 38.460 -0.462 0.000 0.975 182 Y HN 0.000 nan 8.280 nan 0.000 0.498 183 F N 0.140 119.762 119.950 -0.548 0.000 2.293 183 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 183 F C 2.460 178.003 175.800 -0.429 0.000 1.086 183 F CA 1.795 59.312 58.000 -0.804 0.000 1.375 183 F CB -1.107 37.079 39.000 -1.357 0.000 1.045 183 F HN 0.003 nan 8.300 nan 0.000 0.516 184 T N -0.273 114.278 114.554 -0.005 0.000 2.720 184 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 184 T C 1.974 176.707 174.700 0.056 0.000 1.037 184 T CA 1.482 63.693 62.100 0.185 0.000 1.144 184 T CB -0.202 68.790 68.868 0.206 0.000 0.864 184 T HN 0.209 nan 8.240 nan 0.000 0.444 185 K N 0.481 120.845 120.400 -0.060 0.000 2.057 185 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 185 K C 2.339 178.885 176.600 -0.091 0.000 1.050 185 K CA 0.810 57.054 56.287 -0.072 0.000 0.935 185 K CB -0.428 32.006 32.500 -0.110 0.000 0.715 185 K HN 0.122 nan 8.250 nan 0.000 0.439 186 V N 1.988 121.743 119.914 -0.265 0.000 2.282 186 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 186 V C 2.042 178.174 176.094 0.064 0.000 1.057 186 V CA 1.842 64.035 62.300 -0.179 0.000 1.032 186 V CB -0.428 31.192 31.823 -0.337 0.000 0.645 186 V HN 0.311 nan 8.190 nan 0.000 0.447 187 K N 0.040 120.498 120.400 0.096 0.000 2.063 187 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 187 K C 2.077 178.741 176.600 0.107 0.000 1.048 187 K CA 1.703 58.071 56.287 0.136 0.000 0.928 187 K CB -0.362 32.252 32.500 0.189 0.000 0.713 187 K HN 0.427 nan 8.250 nan 0.000 0.442 188 N N 0.301 119.065 118.700 0.106 0.000 2.104 188 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 188 N C 0.896 176.476 175.510 0.117 0.000 1.024 188 N CA 0.904 54.013 53.050 0.098 0.000 0.853 188 N CB -0.450 38.096 38.487 0.098 0.000 1.008 188 N HN 0.200 nan 8.380 nan 0.000 0.424 192 K N 1.989 122.323 120.400 -0.109 0.000 2.097 192 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 192 K C 1.748 178.180 176.600 -0.280 0.000 1.049 192 K CA 1.359 57.597 56.287 -0.083 0.000 0.933 192 K CB 0.011 32.552 32.500 0.068 0.000 0.717 192 K HN 0.061 nan 8.250 nan 0.000 0.442 193 K N 1.115 121.121 120.400 -0.657 0.000 2.026 193 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 193 K C 2.220 178.565 176.600 -0.425 0.000 1.048 193 K CA 1.841 57.569 56.287 -0.932 0.000 0.929 193 K CB -0.011 31.872 32.500 -1.027 0.000 0.713 193 K HN 0.336 nan 8.250 nan 0.000 0.439 194 E N 0.974 121.009 120.200 -0.276 0.000 2.106 194 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 194 E C 2.100 178.638 176.600 -0.104 0.000 0.984 194 E CA 0.922 57.229 56.400 -0.155 0.000 0.806 194 E CB -0.319 29.317 29.700 -0.107 0.000 0.750 194 E HN 0.109 nan 8.360 nan 0.000 0.458 195 L N 1.591 122.759 121.223 -0.091 0.000 2.017 195 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 195 L C 2.541 179.394 176.870 -0.029 0.000 1.073 195 L CA 2.175 56.989 54.840 -0.044 0.000 0.745 195 L CB -0.732 41.313 42.059 -0.022 0.000 0.894 195 L HN 0.244 nan 8.230 nan 0.000 0.432 196 A N -1.065 121.736 122.820 -0.032 0.000 1.883 196 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 196 A C 2.276 179.856 177.584 -0.006 0.000 1.186 196 A CA 1.908 53.956 52.037 0.018 0.000 0.624 196 A CB -0.796 18.265 19.000 0.102 0.000 0.822 196 A HN 0.583 nan 8.150 nan 0.000 0.444 197 Q N 0.009 119.780 119.800 -0.050 0.000 2.084 197 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 197 Q C 1.940 177.924 176.000 -0.026 0.000 0.978 197 Q CA 2.299 58.077 55.803 -0.041 0.000 0.844 197 Q CB -0.288 28.409 28.738 -0.068 0.000 0.898 197 Q HN 0.678 nan 8.270 nan 0.000 0.426 198 K N 0.047 120.430 120.400 -0.029 0.000 2.097 198 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 198 K C 0.528 177.122 176.600 -0.009 0.000 1.049 198 K CA 0.950 57.226 56.287 -0.019 0.000 0.933 198 K CB 0.002 32.490 32.500 -0.020 0.000 0.717 198 K HN 0.357 nan 8.250 nan 0.000 0.442 199 E N -0.837 119.360 120.200 -0.004 0.000 2.405 199 E HA 0.068 4.417 4.350 -0.000 0.000 0.253 199 E C 0.911 177.515 176.600 0.006 0.000 1.257 199 E CA -0.264 56.138 56.400 0.003 0.000 0.960 199 E CB 0.426 30.131 29.700 0.009 0.000 1.077 199 E HN 0.252 nan 8.360 nan 0.000 0.512 200 G N 0.664 109.469 108.800 0.008 0.000 3.094 200 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.208 200 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.208 200 G C 0.042 174.951 174.900 0.015 0.000 1.189 200 G CA 0.383 45.489 45.100 0.010 0.000 0.856 200 G HN 0.130 nan 8.290 nan 0.000 0.510 201 K N 0.271 120.685 120.400 0.022 0.000 2.259 201 K HA 0.319 4.639 4.320 -0.000 0.000 0.249 201 K C -0.595 176.038 176.600 0.055 0.000 0.942 201 K CA -0.670 55.638 56.287 0.035 0.000 0.816 201 K CB 2.223 34.747 32.500 0.041 0.000 1.155 201 K HN 0.074 nan 8.250 nan 0.000 0.428 202 E N 2.290 122.523 120.200 0.056 0.000 2.259 202 E HA 0.048 4.398 4.350 -0.000 0.000 0.281 202 E C -1.014 175.659 176.600 0.122 0.000 1.037 202 E CA -0.462 55.985 56.400 0.077 0.000 0.854 202 E CB 0.497 30.224 29.700 0.046 0.000 1.051 202 E HN 0.280 nan 8.360 nan 0.000 0.409 203 F N 3.672 123.605 119.950 -0.027 0.000 2.538 203 F HA 0.018 4.545 4.527 -0.000 0.000 0.371 203 F C 1.115 176.905 175.800 -0.016 0.000 1.087 203 F CA 0.324 58.301 58.000 -0.038 0.000 1.250 203 F CB 0.888 39.848 39.000 -0.067 0.000 1.110 203 F HN 0.427 nan 8.300 nan 0.000 0.570 204 T N 0.372 114.612 114.554 -0.523 0.000 3.132 204 T HA 0.269 4.619 4.350 -0.000 0.000 0.274 204 T C 0.386 174.765 174.700 -0.535 0.000 1.011 204 T CA -0.131 61.736 62.100 -0.388 0.000 0.899 204 T CB -0.313 68.430 68.868 -0.209 0.000 1.089 204 T HN 0.686 nan 8.240 nan 0.000 0.543 205 E N 1.480 121.015 120.200 -1.109 0.000 2.789 205 E HA 0.157 4.506 4.350 -0.000 0.000 0.208 205 E C -0.541 175.900 176.600 -0.265 0.000 0.988 205 E CA -0.343 55.656 56.400 -0.668 0.000 1.092 205 E CB 0.663 30.029 29.700 -0.556 0.000 1.066 205 E HN 0.329 nan 8.360 nan 0.000 0.465 206 T N 2.007 116.474 114.554 -0.145 0.000 2.891 206 T HA -0.051 4.298 4.350 -0.000 0.000 0.296 206 T C -0.180 174.650 174.700 0.217 0.000 1.025 206 T CA 0.773 63.058 62.100 0.309 0.000 1.149 206 T CB 0.303 69.300 68.868 0.214 0.000 1.007 206 T HN 0.083 nan 8.240 nan 0.000 0.528 207 D N 2.636 123.177 120.400 0.235 0.000 2.788 207 D HA 0.202 4.842 4.640 -0.000 0.000 0.247 207 D C 0.555 176.794 176.300 -0.102 0.000 1.236 207 D CA -0.746 53.238 54.000 -0.028 0.000 0.898 207 D CB 1.388 42.094 40.800 -0.156 0.000 1.401 207 D HN 0.177 nan 8.370 nan 0.000 0.549 208 L N 3.506 124.693 121.223 -0.060 0.000 2.012 208 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 208 L C 1.362 178.203 176.870 -0.047 0.000 1.073 208 L CA 1.680 56.508 54.840 -0.020 0.000 0.748 208 L CB -0.488 41.581 42.059 0.017 0.000 0.891 208 L HN 0.424 nan 8.230 nan 0.000 0.431 212 V N 1.526 121.459 119.914 0.033 0.000 2.358 212 V HA -0.109 4.011 4.120 -0.000 0.000 0.246 212 V C 2.344 178.484 176.094 0.078 0.000 1.047 212 V CA 2.473 64.806 62.300 0.054 0.000 1.035 212 V CB -1.031 30.819 31.823 0.046 0.000 0.658 212 V HN 0.332 nan 8.190 nan 0.000 0.452 213 G N -0.224 108.622 108.800 0.078 0.000 2.418 213 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 213 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 213 G C 0.868 175.841 174.900 0.122 0.000 1.158 213 G CA 0.665 45.807 45.100 0.069 0.000 0.771 213 G HN 0.614 nan 8.290 nan 0.000 0.545 217 L N 0.591 121.883 121.223 0.115 0.000 2.131 217 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 217 L C 2.200 179.142 176.870 0.120 0.000 1.092 217 L CA 1.751 56.677 54.840 0.145 0.000 0.759 217 L CB -0.445 41.714 42.059 0.166 0.000 0.903 217 L HN 0.343 nan 8.230 nan 0.000 0.435 218 R N 0.341 120.898 120.500 0.095 0.000 2.320 218 R HA 0.030 4.370 4.340 -0.000 0.000 0.211 218 R C 0.208 176.549 176.300 0.068 0.000 0.931 218 R CA -0.086 56.057 56.100 0.071 0.000 1.071 218 R CB 0.072 30.406 30.300 0.056 0.000 1.025 218 R HN 0.206 nan 8.270 nan 0.000 0.495 219 K N 0.068 120.519 120.400 0.085 0.000 3.069 219 K HA -0.257 4.063 4.320 -0.000 0.000 0.267 219 K C 0.345 176.982 176.600 0.061 0.000 1.082 219 K CA 0.889 57.225 56.287 0.082 0.000 0.782 219 K CB -0.823 31.721 32.500 0.073 0.000 1.230 219 K HN 0.282 nan 8.250 nan 0.000 0.488 220 K N 0.273 120.707 120.400 0.056 0.000 2.167 220 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 220 K C 1.289 177.914 176.600 0.042 0.000 1.052 220 K CA 1.314 57.628 56.287 0.044 0.000 0.956 220 K CB -0.049 32.476 32.500 0.041 0.000 0.735 220 K HN 0.489 nan 8.250 nan 0.000 0.451 221 I N -1.853 118.746 120.570 0.048 0.000 2.865 221 I HA 0.459 4.629 4.170 -0.000 0.000 0.302 221 I C -3.029 173.124 176.117 0.058 0.000 1.140 221 I CA -2.968 58.358 61.300 0.044 0.000 1.021 221 I CB 2.500 40.520 38.000 0.033 0.000 1.233 221 I HN -0.251 nan 8.210 nan 0.000 0.427 222 P HA 0.369 nan 4.420 nan 0.000 0.281 222 P C -0.766 176.585 177.300 0.085 0.000 1.264 222 P CA -0.379 62.779 63.100 0.096 0.000 0.824 222 P CB 1.402 33.157 31.700 0.092 0.000 1.092 223 A N 2.200 125.097 122.820 0.129 0.000 2.354 223 A HA 0.501 4.821 4.320 -0.000 0.000 0.269 223 A C 0.458 178.135 177.584 0.156 0.000 1.109 223 A CA -0.297 51.809 52.037 0.115 0.000 0.800 223 A CB 0.108 19.204 19.000 0.161 0.000 1.045 223 A HN 0.398 nan 8.150 nan 0.000 0.489 227 A N 4.446 127.158 122.820 -0.180 0.000 2.540 227 A HA 0.435 4.755 4.320 -0.000 0.000 0.297 227 A C -1.102 176.287 177.584 -0.326 0.000 1.056 227 A CA -0.619 51.341 52.037 -0.128 0.000 0.700 227 A CB 1.190 20.156 19.000 -0.057 0.000 1.280 227 A HN 0.842 nan 8.150 nan 0.000 0.398 228 H N 1.019 120.062 119.070 -0.046 0.000 2.317 228 H HA 0.229 4.784 4.556 -0.000 0.000 0.291 228 H C 0.888 176.190 175.328 -0.043 0.000 0.999 228 H CA 0.454 56.468 56.048 -0.058 0.000 1.336 228 H CB 0.049 29.767 29.762 -0.072 0.000 1.485 228 H HN 0.704 nan 8.280 nan 0.000 0.597 229 R N 1.167 121.737 120.500 0.117 0.000 2.679 229 R HA 0.137 4.477 4.340 -0.000 0.000 0.268 229 R C 1.231 177.521 176.300 -0.018 0.000 1.044 229 R CA 0.432 56.553 56.100 0.036 0.000 1.105 229 R CB 0.663 30.990 30.300 0.046 0.000 0.989 229 R HN 0.287 nan 8.270 nan 0.000 0.447 230 A N 3.318 126.102 122.820 -0.060 0.000 1.908 230 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 230 A C 1.538 179.078 177.584 -0.073 0.000 1.181 230 A CA 1.970 53.953 52.037 -0.090 0.000 0.627 230 A CB -0.522 18.405 19.000 -0.121 0.000 0.818 230 A HN 0.971 nan 8.150 nan 0.000 0.445 231 D N -0.014 120.357 120.400 -0.048 0.000 2.178 231 D HA -0.176 4.463 4.640 -0.000 0.000 0.201 231 D C 0.930 177.198 176.300 -0.054 0.000 0.980 231 D CA 1.403 55.379 54.000 -0.040 0.000 0.842 231 D CB -0.712 40.081 40.800 -0.013 0.000 0.948 231 D HN 0.403 nan 8.370 nan 0.000 0.472 232 D N 0.742 121.119 120.400 -0.039 0.000 2.117 232 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 232 D C 2.422 178.571 176.300 -0.252 0.000 0.982 232 D CA 0.501 54.455 54.000 -0.078 0.000 0.828 232 D CB -0.087 40.750 40.800 0.062 0.000 0.967 232 D HN 0.351 nan 8.370 nan 0.000 0.464 233 I N 0.745 121.213 120.570 -0.170 0.000 2.208 233 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 233 I C 2.402 178.397 176.117 -0.203 0.000 1.097 233 I CA 0.788 61.975 61.300 -0.188 0.000 1.363 233 I CB -0.189 37.739 38.000 -0.120 0.000 1.051 233 I HN -0.042 nan 8.210 nan 0.000 0.413 234 L N -0.196 120.932 121.223 -0.158 0.000 2.156 234 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 234 L C 2.573 179.351 176.870 -0.152 0.000 1.095 234 L CA 1.229 55.991 54.840 -0.130 0.000 0.770 234 L CB -0.765 41.241 42.059 -0.089 0.000 0.914 234 L HN 0.219 nan 8.230 nan 0.000 0.439 235 T N -0.126 114.312 114.554 -0.194 0.000 2.777 235 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 235 T C 2.060 176.578 174.700 -0.304 0.000 1.040 235 T CA 1.206 63.199 62.100 -0.178 0.000 1.141 235 T CB -0.173 68.627 68.868 -0.113 0.000 0.868 235 T HN 0.423 nan 8.240 nan 0.000 0.444 236 A N 1.279 123.709 122.820 -0.649 0.000 1.908 236 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 236 A C 2.255 179.732 177.584 -0.179 0.000 1.181 236 A CA 1.338 53.018 52.037 -0.595 0.000 0.627 236 A CB -0.808 17.788 19.000 -0.673 0.000 0.818 236 A HN 0.529 nan 8.150 nan 0.000 0.445 237 I N -1.076 119.390 120.570 -0.174 0.000 2.179 237 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 237 I C 2.762 178.801 176.117 -0.130 0.000 1.088 237 I CA 1.315 62.537 61.300 -0.130 0.000 1.357 237 I CB -0.386 37.548 38.000 -0.110 0.000 1.051 237 I HN 0.273 nan 8.210 nan 0.000 0.409 238 R N 0.686 121.125 120.500 -0.103 0.000 2.096 238 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 238 R C 2.351 178.616 176.300 -0.060 0.000 1.139 238 R CA 1.753 57.809 56.100 -0.074 0.000 0.952 238 R CB -0.512 29.765 30.300 -0.038 0.000 0.854 238 R HN 0.375 nan 8.270 nan 0.000 0.436 239 I N 0.231 120.809 120.570 0.013 0.000 2.252 239 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 239 I C 2.612 178.647 176.117 -0.137 0.000 1.102 239 I CA 1.159 62.545 61.300 0.144 0.000 1.385 239 I CB -0.386 37.843 38.000 0.383 0.000 1.064 239 I HN 0.196 nan 8.210 nan 0.000 0.414 240 A N 0.442 122.982 122.820 -0.466 0.000 1.940 240 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 240 A C 2.199 179.323 177.584 -0.767 0.000 1.176 240 A CA 1.864 53.145 52.037 -1.259 0.000 0.631 240 A CB -0.558 18.031 19.000 -0.685 0.000 0.814 240 A HN 0.467 nan 8.150 nan 0.000 0.446 241 E N -0.885 119.085 120.200 -0.383 0.000 2.072 241 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 241 E C 2.069 178.523 176.600 -0.244 0.000 0.982 241 E CA 0.949 57.195 56.400 -0.257 0.000 0.803 241 E CB -0.164 29.434 29.700 -0.170 0.000 0.755 241 E HN 0.798 nan 8.360 nan 0.000 0.453 242 E N 0.111 120.165 120.200 -0.243 0.000 2.097 242 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 242 E C 1.242 177.557 176.600 -0.475 0.000 1.000 242 E CA 1.260 57.451 56.400 -0.347 0.000 0.804 242 E CB -0.014 29.465 29.700 -0.368 0.000 0.740 242 E HN 0.201 nan 8.360 nan 0.000 0.454 243 F N -0.969 118.852 119.950 -0.215 0.000 2.749 243 F HA 0.305 4.832 4.527 -0.000 0.000 0.300 243 F C 1.228 176.952 175.800 -0.128 0.000 1.103 243 F CA 0.513 58.435 58.000 -0.130 0.000 1.342 243 F CB 1.198 40.159 39.000 -0.064 0.000 1.098 243 F HN 0.150 nan 8.300 nan 0.000 0.586 244 G N 1.473 110.198 108.800 -0.124 0.000 2.289 244 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.280 244 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.280 244 G C -0.207 174.694 174.900 0.001 0.000 1.089 244 G CA 0.146 45.198 45.100 -0.080 0.000 0.939 244 G HN 0.358 nan 8.290 nan 0.000 0.499 245 F N -1.291 118.635 119.950 -0.040 0.000 2.556 245 F HA 0.808 5.335 4.527 -0.000 0.000 0.327 245 F C -0.120 175.668 175.800 -0.021 0.000 1.059 245 F CA -2.580 55.392 58.000 -0.046 0.000 0.953 245 F CB 0.800 39.732 39.000 -0.113 0.000 1.227 245 F HN -0.044 nan 8.300 nan 0.000 0.478 246 N N 1.871 120.731 118.700 0.266 0.000 2.525 246 N HA 0.539 5.279 4.740 -0.000 0.000 0.271 246 N C -0.803 174.866 175.510 0.266 0.000 1.194 246 N CA -0.294 52.861 53.050 0.176 0.000 0.964 246 N CB 1.462 40.020 38.487 0.118 0.000 1.126 246 N HN 0.869 nan 8.380 nan 0.000 0.452 247 L N -1.831 119.491 121.223 0.165 0.000 2.376 247 L HA 0.840 5.180 4.340 -0.000 0.000 0.258 247 L C -1.112 175.818 176.870 0.100 0.000 1.013 247 L CA -0.943 54.002 54.840 0.175 0.000 0.822 247 L CB 1.819 43.984 42.059 0.177 0.000 1.388 247 L HN 0.076 nan 8.230 nan 0.000 0.413 248 V N 2.515 122.488 119.914 0.100 0.000 2.735 248 V HA 0.504 4.624 4.120 -0.000 0.000 0.310 248 V C -0.191 175.937 176.094 0.055 0.000 1.061 248 V CA -0.490 61.847 62.300 0.061 0.000 0.913 248 V CB 2.097 33.955 31.823 0.058 0.000 1.005 248 V HN 0.543 nan 8.190 nan 0.000 0.428 249 I N 3.711 124.289 120.570 0.013 0.000 2.315 249 I HA 0.377 4.546 4.170 -0.000 0.000 0.291 249 I C 0.185 176.256 176.117 -0.076 0.000 1.006 249 I CA -0.468 60.822 61.300 -0.017 0.000 1.265 249 I CB 1.373 39.349 38.000 -0.039 0.000 1.387 249 I HN 0.628 nan 8.210 nan 0.000 0.475 250 E N 7.156 127.277 120.200 -0.132 0.000 2.227 250 E HA 0.263 4.612 4.350 -0.000 0.000 0.282 250 E C 0.516 176.793 176.600 -0.538 0.000 1.015 250 E CA -0.287 55.869 56.400 -0.406 0.000 0.823 250 E CB 0.926 30.323 29.700 -0.506 0.000 1.081 250 E HN 0.535 nan 8.360 nan 0.000 0.396 251 H N 1.959 120.901 119.070 -0.213 0.000 4.823 251 H HA -0.223 4.333 4.556 -0.000 0.000 0.064 251 H C 1.012 176.278 175.328 -0.104 0.000 0.599 251 H CA 1.180 57.123 56.048 -0.176 0.000 0.956 251 H CB -1.491 28.080 29.762 -0.318 0.000 0.432 251 H HN 0.823 nan 8.280 nan 0.000 0.798 252 G N 1.643 110.423 108.800 -0.034 0.000 2.393 252 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.299 252 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.299 252 G C 0.980 175.916 174.900 0.059 0.000 0.990 252 G CA 1.663 46.752 45.100 -0.018 0.000 1.118 252 G HN 0.730 nan 8.290 nan 0.000 0.513 253 T N -0.057 114.578 114.554 0.136 0.000 2.699 253 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 253 T C 1.759 176.544 174.700 0.142 0.000 1.036 253 T CA 1.804 64.008 62.100 0.173 0.000 1.147 253 T CB -0.067 68.930 68.868 0.216 0.000 0.862 253 T HN 0.693 nan 8.240 nan 0.000 0.446 254 E N 0.200 120.405 120.200 0.008 0.000 2.451 254 E HA 0.405 4.754 4.350 -0.000 0.000 0.194 254 E C 1.940 178.352 176.600 -0.313 0.000 1.027 254 E CA -0.092 56.166 56.400 -0.238 0.000 0.914 254 E CB 0.215 29.786 29.700 -0.215 0.000 1.054 254 E HN 0.410 nan 8.360 nan 0.000 0.461 255 A N 1.207 123.963 122.820 -0.106 0.000 1.978 255 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 255 A C 2.049 179.589 177.584 -0.072 0.000 1.170 255 A CA 1.404 53.398 52.037 -0.071 0.000 0.636 255 A CB -0.865 18.135 19.000 -0.000 0.000 0.810 255 A HN 0.561 nan 8.150 nan 0.000 0.448 256 Y N -0.318 119.975 120.300 -0.012 0.000 2.403 256 Y HA -0.051 4.498 4.550 -0.000 0.000 0.291 256 Y C 1.708 177.602 175.900 -0.011 0.000 1.143 256 Y CA 1.411 59.504 58.100 -0.011 0.000 1.257 256 Y CB -0.478 37.975 38.460 -0.012 0.000 0.984 256 Y HN 0.208 nan 8.280 nan 0.000 0.550 257 K N 1.222 121.258 120.400 -0.607 0.000 2.365 257 K HA 0.102 4.421 4.320 -0.000 0.000 0.199 257 K C 0.871 177.374 176.600 -0.160 0.000 1.045 257 K CA 1.482 57.546 56.287 -0.371 0.000 0.962 257 K CB -0.114 32.120 32.500 -0.443 0.000 0.759 257 K HN 0.680 nan 8.250 nan 0.000 0.469 258 I N -2.787 117.704 120.570 -0.132 0.000 3.621 258 I HA 0.147 4.317 4.170 -0.000 0.000 0.325 258 I C 1.188 177.279 176.117 -0.044 0.000 1.554 258 I CA -0.350 60.903 61.300 -0.078 0.000 1.053 258 I CB 0.813 38.760 38.000 -0.088 0.000 1.302 258 I HN -0.154 nan 8.210 nan 0.000 0.518 259 S N 0.904 116.593 115.700 -0.019 0.000 2.383 259 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 259 S C 1.901 176.501 174.600 0.001 0.000 1.030 259 S CA 1.417 59.621 58.200 0.006 0.000 1.002 259 S CB -0.292 62.932 63.200 0.040 0.000 0.829 259 S HN 0.614 nan 8.310 nan 0.000 0.467 260 K N 0.916 121.314 120.400 -0.002 0.000 2.057 260 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 260 K C 1.953 178.546 176.600 -0.011 0.000 1.049 260 K CA 1.471 57.756 56.287 -0.003 0.000 0.931 260 K CB -0.398 32.100 32.500 -0.004 0.000 0.714 260 K HN 0.332 nan 8.250 nan 0.000 0.440 261 V N 1.482 121.384 119.914 -0.020 0.000 2.295 261 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 261 V C 2.230 178.308 176.094 -0.026 0.000 1.049 261 V CA 1.631 63.915 62.300 -0.027 0.000 1.024 261 V CB -0.463 31.338 31.823 -0.037 0.000 0.648 261 V HN 0.293 nan 8.190 nan 0.000 0.447 262 L N 0.268 121.476 121.223 -0.024 0.000 2.017 262 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 262 L C 2.821 179.685 176.870 -0.010 0.000 1.073 262 L CA 1.659 56.488 54.840 -0.020 0.000 0.745 262 L CB -0.963 41.086 42.059 -0.017 0.000 0.894 262 L HN 0.350 nan 8.230 nan 0.000 0.432 263 A N 0.209 123.026 122.820 -0.004 0.000 1.865 263 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 263 A C 2.174 179.756 177.584 -0.003 0.000 1.191 263 A CA 2.042 54.080 52.037 0.000 0.000 0.623 263 A CB -0.640 18.363 19.000 0.005 0.000 0.826 263 A HN 0.471 nan 8.150 nan 0.000 0.444 264 E N -0.416 119.780 120.200 -0.008 0.000 2.118 264 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 264 E C 1.736 178.328 176.600 -0.013 0.000 0.992 264 E CA 1.406 57.800 56.400 -0.010 0.000 0.804 264 E CB -0.127 29.565 29.700 -0.013 0.000 0.741 264 E HN 0.571 nan 8.360 nan 0.000 0.458 265 K N 0.330 120.720 120.400 -0.017 0.000 2.444 265 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 265 K C -0.033 176.558 176.600 -0.015 0.000 1.024 265 K CA 0.054 56.328 56.287 -0.022 0.000 1.077 265 K CB 0.329 32.810 32.500 -0.032 0.000 0.833 265 K HN -0.120 nan 8.250 nan 0.000 0.517 266 K N 1.112 121.508 120.400 -0.008 0.000 3.035 266 K HA -0.156 4.164 4.320 -0.000 0.000 0.262 266 K C -0.638 175.963 176.600 0.000 0.000 1.024 266 K CA 0.504 56.791 56.287 -0.001 0.000 0.748 266 K CB -1.164 31.337 32.500 0.001 0.000 1.247 266 K HN 0.182 nan 8.250 nan 0.000 0.482 267 I N 1.638 122.205 120.570 -0.005 0.000 2.337 267 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 267 I C -1.597 174.521 176.117 0.003 0.000 1.046 267 I CA -2.073 59.225 61.300 -0.002 0.000 1.324 267 I CB 0.180 38.171 38.000 -0.015 0.000 1.409 267 I HN -0.062 nan 8.210 nan 0.000 0.494 268 P HA 0.347 nan 4.420 nan 0.000 0.279 268 P C -0.708 176.596 177.300 0.006 0.000 1.252 268 P CA -0.386 62.722 63.100 0.013 0.000 0.811 268 P CB 1.592 33.304 31.700 0.020 0.000 1.035 269 V N 1.862 121.779 119.914 0.004 0.000 2.531 269 V HA 0.192 4.311 4.120 -0.000 0.000 0.301 269 V C 0.080 176.167 176.094 -0.011 0.000 1.034 269 V CA -0.829 61.465 62.300 -0.009 0.000 0.865 269 V CB 2.138 33.958 31.823 -0.005 0.000 0.995 269 V HN 0.216 nan 8.190 nan 0.000 0.424 270 V N 5.975 125.866 119.914 -0.037 0.000 2.322 270 V HA 0.209 4.328 4.120 -0.000 0.000 0.258 270 V C 0.424 176.481 176.094 -0.062 0.000 1.074 270 V CA -0.316 61.958 62.300 -0.044 0.000 0.909 270 V CB 1.032 32.823 31.823 -0.055 0.000 1.090 270 V HN 0.750 nan 8.190 nan 0.000 0.486 271 V N 2.813 122.719 119.914 -0.014 0.000 3.003 271 V HA 1.023 5.142 4.120 -0.000 0.000 0.305 271 V C 0.574 176.688 176.094 0.033 0.000 1.078 271 V CA 0.372 62.680 62.300 0.013 0.000 1.083 271 V CB 0.770 32.605 31.823 0.021 0.000 1.039 271 V HN 1.470 nan 8.190 nan 0.000 0.481 272 G N 2.709 111.554 108.800 0.075 0.000 2.515 272 G HA2 0.069 4.029 3.960 -0.000 0.000 0.686 272 G HA3 0.069 4.029 3.960 -0.000 0.000 0.686 272 G C -3.188 171.855 174.900 0.239 0.000 1.274 272 G CA -0.418 44.744 45.100 0.104 0.000 0.874 272 G HN 0.970 nan 8.290 nan 0.000 0.631 273 P HA 0.428 nan 4.420 nan 0.000 0.275 273 P C 0.650 177.977 177.300 0.046 0.000 1.227 273 P CA -0.284 62.879 63.100 0.106 0.000 0.781 273 P CB 1.097 32.861 31.700 0.106 0.000 0.906 274 L N 1.694 122.922 121.223 0.008 0.000 2.653 274 L HA 0.231 4.571 4.340 -0.000 0.000 0.230 274 L C 1.409 178.236 176.870 -0.071 0.000 1.055 274 L CA 0.060 54.870 54.840 -0.050 0.000 0.880 274 L CB -0.001 42.006 42.059 -0.086 0.000 1.195 274 L HN 0.232 nan 8.230 nan 0.000 0.492 275 L N 1.075 122.277 121.223 -0.036 0.000 2.423 275 L HA 0.343 4.683 4.340 -0.000 0.000 0.249 275 L C -0.246 176.628 176.870 0.008 0.000 1.276 275 L CA 0.729 55.553 54.840 -0.027 0.000 1.199 275 L CB -0.109 41.943 42.059 -0.013 0.000 1.407 275 L HN -0.021 nan 8.230 nan 0.000 0.410 276 T N 1.411 115.971 114.554 0.010 0.000 2.827 276 T HA 0.247 4.597 4.350 -0.000 0.000 0.328 276 T C -1.239 173.509 174.700 0.079 0.000 1.598 276 T CA -0.542 61.591 62.100 0.055 0.000 1.043 276 T CB 0.539 69.434 68.868 0.045 0.000 1.447 276 T HN 0.073 nan 8.240 nan 0.000 0.491 277 F N 3.145 123.076 119.950 -0.032 0.000 2.429 277 F HA 0.564 5.091 4.527 -0.000 0.000 0.348 277 F C 0.800 176.573 175.800 -0.046 0.000 1.109 277 F CA -0.595 57.384 58.000 -0.035 0.000 1.232 277 F CB 0.693 39.678 39.000 -0.025 0.000 1.157 277 F HN 0.481 nan 8.300 nan 0.000 0.564 278 R N 3.826 123.842 120.500 -0.806 0.000 2.612 278 R HA 0.107 4.447 4.340 -0.000 0.000 0.273 278 R C 1.154 177.062 176.300 -0.653 0.000 1.376 278 R CA 0.539 56.276 56.100 -0.605 0.000 1.171 278 R CB -0.342 29.666 30.300 -0.487 0.000 1.151 278 R HN 0.819 nan 8.270 nan 0.000 0.560 279 T N -1.203 113.228 114.554 -0.206 0.000 3.055 279 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 279 T C 0.629 175.323 174.700 -0.010 0.000 1.111 279 T CA 0.672 62.811 62.100 0.066 0.000 1.118 279 T CB 0.233 69.189 68.868 0.147 0.000 0.909 279 T HN 0.272 nan 8.240 nan 0.000 0.501 280 K N -0.375 119.966 120.400 -0.099 0.000 2.443 280 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 280 K C 0.160 176.702 176.600 -0.096 0.000 0.972 280 K CA -0.916 55.327 56.287 -0.074 0.000 0.833 280 K CB 2.192 34.649 32.500 -0.072 0.000 1.317 280 K HN -0.157 nan 8.250 nan 0.000 0.441 281 L N 2.461 123.652 121.223 -0.054 0.000 2.051 281 L HA -0.243 4.096 4.340 -0.000 0.000 0.214 281 L C 2.088 178.925 176.870 -0.054 0.000 1.076 281 L CA 2.091 56.904 54.840 -0.046 0.000 0.758 281 L CB -0.404 41.646 42.059 -0.016 0.000 0.890 281 L HN 0.829 nan 8.230 nan 0.000 0.433 282 E N -1.145 119.024 120.200 -0.052 0.000 2.418 282 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 282 E C 1.728 178.259 176.600 -0.115 0.000 1.026 282 E CA 0.899 57.273 56.400 -0.043 0.000 0.862 282 E CB -0.402 29.310 29.700 0.020 0.000 0.799 282 E HN 0.589 nan 8.360 nan 0.000 0.518 283 L N 1.374 122.484 121.223 -0.188 0.000 2.592 283 L HA 0.112 4.452 4.340 -0.000 0.000 0.227 283 L C 2.296 179.074 176.870 -0.153 0.000 1.127 283 L CA 0.198 54.906 54.840 -0.221 0.000 0.884 283 L CB -0.167 41.714 42.059 -0.296 0.000 1.065 283 L HN 0.163 nan 8.230 nan 0.000 0.457 284 K N -0.691 119.641 120.400 -0.114 0.000 2.152 284 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 284 K C 0.466 177.027 176.600 -0.064 0.000 1.048 284 K CA 1.516 57.742 56.287 -0.102 0.000 0.933 284 K CB -0.064 32.393 32.500 -0.071 0.000 0.721 284 K HN 0.126 nan 8.250 nan 0.000 0.447 285 D N 1.103 121.495 120.400 -0.015 0.000 2.388 285 D HA 0.096 4.736 4.640 -0.000 0.000 0.221 285 D C -0.060 176.292 176.300 0.087 0.000 1.133 285 D CA -0.234 53.800 54.000 0.057 0.000 0.831 285 D CB 0.057 40.934 40.800 0.128 0.000 0.962 285 D HN 0.219 nan 8.370 nan 0.000 0.502 286 L N 0.723 121.945 121.223 -0.001 0.000 2.525 286 L HA 0.140 4.480 4.340 -0.000 0.000 0.278 286 L C 0.308 177.126 176.870 -0.086 0.000 1.218 286 L CA 0.793 55.620 54.840 -0.022 0.000 0.878 286 L CB 0.684 42.692 42.059 -0.085 0.000 1.127 286 L HN -0.097 nan 8.230 nan 0.000 0.492 290 T N 1.680 116.125 114.554 -0.181 0.000 2.737 290 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 290 T C 1.843 176.526 174.700 -0.028 0.000 1.040 290 T CA 1.356 63.399 62.100 -0.096 0.000 1.142 290 T CB -0.132 68.723 68.868 -0.021 0.000 0.861 290 T HN 0.131 nan 8.240 nan 0.000 0.456 291 I N 1.138 121.686 120.570 -0.036 0.000 2.127 291 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 291 I C 2.860 178.977 176.117 -0.001 0.000 1.075 291 I CA 1.341 62.633 61.300 -0.013 0.000 1.334 291 I CB -0.470 37.517 38.000 -0.022 0.000 1.040 291 I HN 0.182 nan 8.210 nan 0.000 0.405 292 A N 0.621 123.437 122.820 -0.007 0.000 1.902 292 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 292 A C 2.308 179.895 177.584 0.005 0.000 1.181 292 A CA 1.707 53.745 52.037 0.003 0.000 0.623 292 A CB -0.457 18.545 19.000 0.003 0.000 0.818 292 A HN 0.341 nan 8.150 nan 0.000 0.443 293 K N -0.388 120.010 120.400 -0.003 0.000 2.025 293 K HA 0.014 4.333 4.320 -0.000 0.000 0.207 293 K C 1.855 178.480 176.600 0.041 0.000 1.049 293 K CA 1.346 57.643 56.287 0.017 0.000 0.933 293 K CB -0.352 32.154 32.500 0.011 0.000 0.714 293 K HN 0.448 nan 8.250 nan 0.000 0.438 294 L N 0.868 122.118 121.223 0.045 0.000 2.093 294 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 294 L C 2.321 179.211 176.870 0.034 0.000 1.085 294 L CA 0.901 55.769 54.840 0.047 0.000 0.755 294 L CB -0.424 41.664 42.059 0.048 0.000 0.904 294 L HN 0.166 nan 8.230 nan 0.000 0.435 295 L N 0.069 121.309 121.223 0.029 0.000 2.046 295 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 295 L C 2.722 179.609 176.870 0.027 0.000 1.077 295 L CA 1.436 56.293 54.840 0.028 0.000 0.747 295 L CB -0.507 41.570 42.059 0.029 0.000 0.896 295 L HN 0.267 nan 8.230 nan 0.000 0.432 296 K N -0.058 120.357 120.400 0.025 0.000 2.097 296 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 296 K C 1.117 177.731 176.600 0.023 0.000 1.049 296 K CA 1.639 57.939 56.287 0.023 0.000 0.933 296 K CB 0.054 32.567 32.500 0.021 0.000 0.717 296 K HN 0.283 nan 8.250 nan 0.000 0.442 297 D N -0.736 119.680 120.400 0.027 0.000 2.328 297 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 297 D C 0.540 176.852 176.300 0.020 0.000 1.072 297 D CA 0.864 54.878 54.000 0.024 0.000 0.850 297 D CB 0.750 41.568 40.800 0.029 0.000 0.922 297 D HN 0.518 nan 8.370 nan 0.000 0.516 298 G N 0.777 109.590 108.800 0.021 0.000 2.149 298 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.235 298 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.235 298 G C 0.275 175.186 174.900 0.019 0.000 1.018 298 G CA -0.026 45.085 45.100 0.019 0.000 0.728 298 G HN 0.243 nan 8.290 nan 0.000 0.508 299 V N 1.007 120.934 119.914 0.021 0.000 2.498 299 V HA 0.548 4.668 4.120 -0.000 0.000 0.279 299 V C 0.891 176.998 176.094 0.023 0.000 1.048 299 V CA -0.799 61.513 62.300 0.020 0.000 0.967 299 V CB 1.623 33.458 31.823 0.021 0.000 0.988 299 V HN 0.458 nan 8.190 nan 0.000 0.473 300 L N 7.785 129.021 121.223 0.021 0.000 2.433 300 L HA 0.464 4.804 4.340 -0.000 0.000 0.275 300 L C -0.229 176.655 176.870 0.024 0.000 1.128 300 L CA 0.622 55.477 54.840 0.025 0.000 0.875 300 L CB -0.117 41.957 42.059 0.024 0.000 1.171 300 L HN 0.645 nan 8.230 nan 0.000 0.463 301 I N 2.582 123.169 120.570 0.028 0.000 2.785 301 I HA 0.972 5.142 4.170 -0.000 0.000 0.302 301 I C -0.611 175.525 176.117 0.031 0.000 1.069 301 I CA -0.848 60.467 61.300 0.025 0.000 1.045 301 I CB 2.041 40.055 38.000 0.023 0.000 1.236 301 I HN 0.661 nan 8.210 nan 0.000 0.429 302 A N 4.298 127.134 122.820 0.027 0.000 2.386 302 A HA 0.869 5.189 4.320 -0.000 0.000 0.308 302 A C -1.099 176.499 177.584 0.024 0.000 1.128 302 A CA -0.649 51.408 52.037 0.033 0.000 0.789 302 A CB 1.754 20.777 19.000 0.038 0.000 1.325 302 A HN 0.788 nan 8.150 nan 0.000 0.437 306 D N 1.706 122.247 120.400 0.235 0.000 2.733 306 D HA -0.246 4.394 4.640 -0.000 0.000 0.232 306 D C 0.089 176.583 176.300 0.323 0.000 1.161 306 D CA 1.352 55.548 54.000 0.327 0.000 0.653 306 D CB -1.594 39.431 40.800 0.375 0.000 1.052 306 D HN 0.867 nan 8.370 nan 0.000 0.424 307 H N -0.677 118.492 119.070 0.164 0.000 3.173 307 H HA 0.060 4.616 4.556 -0.000 0.000 0.311 307 H C -1.453 173.983 175.328 0.180 0.000 0.972 307 H CA 0.032 56.151 56.048 0.119 0.000 1.384 307 H CB 1.003 30.817 29.762 0.086 0.000 1.349 307 H HN 0.054 nan 8.280 nan 0.000 0.582 308 P HA -0.021 nan 4.420 nan 0.000 0.261 308 P C 0.916 178.013 177.300 -0.339 0.000 1.352 308 P CA 0.074 62.712 63.100 -0.769 0.000 0.891 308 P CB 0.347 31.452 31.700 -0.991 0.000 1.383 309 V N 0.347 120.211 119.914 -0.082 0.000 2.287 309 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 309 V C 1.540 177.644 176.094 0.017 0.000 1.053 309 V CA 1.659 63.963 62.300 0.006 0.000 1.027 309 V CB -0.541 31.340 31.823 0.097 0.000 0.646 309 V HN 0.081 nan 8.190 nan 0.000 0.447 310 I N 0.373 120.975 120.570 0.053 0.000 2.433 310 I HA 0.363 4.533 4.170 -0.000 0.000 0.292 310 I C -2.655 173.528 176.117 0.110 0.000 1.001 310 I CA -2.270 59.090 61.300 0.100 0.000 1.119 310 I CB 2.071 40.152 38.000 0.134 0.000 1.289 310 I HN 0.024 nan 8.210 nan 0.000 0.438 311 P HA 0.013 nan 4.420 nan 0.000 0.268 311 P C 0.576 177.992 177.300 0.192 0.000 1.204 311 P CA -0.301 62.884 63.100 0.142 0.000 0.768 311 P CB 0.697 32.392 31.700 -0.008 0.000 0.842 312 L N 4.552 125.975 121.223 0.332 0.000 2.081 312 L HA -0.228 4.111 4.340 -0.000 0.000 0.212 312 L C 2.108 178.972 176.870 -0.010 0.000 1.080 312 L CA 1.881 56.789 54.840 0.113 0.000 0.754 312 L CB -1.271 40.765 42.059 -0.038 0.000 0.893 312 L HN 0.505 nan 8.230 nan 0.000 0.433 313 E N -1.891 118.187 120.200 -0.203 0.000 2.273 313 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 313 E C 1.041 177.504 176.600 -0.229 0.000 1.002 313 E CA 1.429 57.621 56.400 -0.347 0.000 0.828 313 E CB -0.553 28.755 29.700 -0.653 0.000 0.747 313 E HN 0.462 nan 8.360 nan 0.000 0.491 314 F N 0.400 120.404 119.950 0.090 0.000 2.668 314 F HA 0.500 5.027 4.527 -0.000 0.000 0.297 314 F C 1.876 177.715 175.800 0.065 0.000 1.124 314 F CA -0.610 57.436 58.000 0.077 0.000 1.353 314 F CB 0.070 39.103 39.000 0.055 0.000 0.992 314 F HN 0.061 nan 8.300 nan 0.000 0.524 315 A N 0.365 123.305 122.820 0.200 0.000 1.917 315 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 315 A C 2.418 180.029 177.584 0.045 0.000 1.182 315 A CA 2.622 54.725 52.037 0.110 0.000 0.633 315 A CB -1.177 17.879 19.000 0.094 0.000 0.819 315 A HN 0.415 nan 8.150 nan 0.000 0.448 316 T N -2.915 111.695 114.554 0.094 0.000 2.951 316 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 316 T C 1.642 176.381 174.700 0.064 0.000 1.073 316 T CA 1.298 63.445 62.100 0.079 0.000 1.134 316 T CB -0.570 68.365 68.868 0.110 0.000 0.884 316 T HN 0.085 nan 8.240 nan 0.000 0.479 317 V N 1.729 121.707 119.914 0.106 0.000 2.358 317 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 317 V C 2.936 179.010 176.094 -0.034 0.000 1.047 317 V CA 2.025 64.349 62.300 0.039 0.000 1.035 317 V CB -0.912 30.936 31.823 0.042 0.000 0.658 317 V HN 0.547 nan 8.190 nan 0.000 0.452 318 Q N 0.271 120.068 119.800 -0.005 0.000 2.050 318 Q HA -0.208 4.131 4.340 -0.000 0.000 0.202 318 Q C 2.254 178.177 176.000 -0.128 0.000 0.980 318 Q CA 2.118 57.896 55.803 -0.041 0.000 0.840 318 Q CB -0.332 28.406 28.738 0.001 0.000 0.898 318 Q HN 0.598 nan 8.270 nan 0.000 0.424 319 A N 0.633 123.338 122.820 -0.192 0.000 1.933 319 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 319 A C 2.245 179.446 177.584 -0.637 0.000 1.175 319 A CA 1.708 53.524 52.037 -0.369 0.000 0.628 319 A CB -0.918 17.857 19.000 -0.375 0.000 0.814 319 A HN 0.574 nan 8.150 nan 0.000 0.444 320 A N -1.251 121.177 122.820 -0.655 0.000 1.968 320 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 320 A C 2.229 179.625 177.584 -0.313 0.000 1.169 320 A CA 2.011 53.652 52.037 -0.661 0.000 0.638 320 A CB -1.069 17.738 19.000 -0.321 0.000 0.812 320 A HN 0.408 nan 8.150 nan 0.000 0.446 321 T N 0.714 115.157 114.554 -0.184 0.000 2.833 321 T HA 0.168 4.517 4.350 -0.000 0.000 0.269 321 T C 1.317 176.049 174.700 0.052 0.000 1.054 321 T CA 0.826 62.897 62.100 -0.047 0.000 1.135 321 T CB -0.499 68.370 68.868 0.001 0.000 0.869 321 T HN 0.634 nan 8.240 nan 0.000 0.466 325 Y N -0.138 120.117 120.300 -0.075 0.000 2.696 325 Y HA 0.353 4.902 4.550 -0.000 0.000 0.255 325 Y C 1.224 177.083 175.900 -0.069 0.000 1.103 325 Y CA 0.304 58.360 58.100 -0.073 0.000 1.126 325 Y CB 1.746 40.156 38.460 -0.083 0.000 1.197 325 Y HN 0.251 nan 8.280 nan 0.000 0.574 326 G N 0.175 108.985 108.800 0.016 0.000 2.195 326 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 326 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 326 G C 0.400 175.304 174.900 0.007 0.000 0.984 326 G CA -0.176 44.928 45.100 0.005 0.000 0.633 326 G HN 0.664 nan 8.290 nan 0.000 0.525 327 A N 0.123 122.949 122.820 0.011 0.000 2.340 327 A HA 0.722 5.042 4.320 -0.000 0.000 0.268 327 A C 0.386 177.970 177.584 0.000 0.000 1.100 327 A CA 0.250 52.288 52.037 0.003 0.000 0.803 327 A CB 0.502 19.494 19.000 -0.012 0.000 1.043 327 A HN 0.417 nan 8.150 nan 0.000 0.488 328 K N 0.796 121.212 120.400 0.025 0.000 2.110 328 K HA 0.215 4.535 4.320 -0.000 0.000 0.263 328 K C 0.978 177.637 176.600 0.099 0.000 0.975 328 K CA -0.492 55.826 56.287 0.052 0.000 0.895 328 K CB 1.652 34.190 32.500 0.062 0.000 1.060 328 K HN 0.873 nan 8.250 nan 0.000 0.448 329 E N 2.406 122.694 120.200 0.147 0.000 2.086 329 E HA -0.363 3.987 4.350 -0.000 0.000 0.205 329 E C 1.432 178.246 176.600 0.357 0.000 1.027 329 E CA 1.902 58.490 56.400 0.312 0.000 0.830 329 E CB 0.183 30.054 29.700 0.285 0.000 0.751 329 E HN 0.688 nan 8.360 nan 0.000 0.456 330 E N -0.132 120.223 120.200 0.259 0.000 2.085 330 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 330 E C 1.755 178.478 176.600 0.205 0.000 0.994 330 E CA 1.642 58.185 56.400 0.239 0.000 0.801 330 E CB 0.038 29.843 29.700 0.176 0.000 0.743 330 E HN 0.319 nan 8.360 nan 0.000 0.453 331 D N 0.297 120.792 120.400 0.159 0.000 2.117 331 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 331 D C 2.163 178.545 176.300 0.136 0.000 0.982 331 D CA 0.701 54.775 54.000 0.124 0.000 0.828 331 D CB -0.208 40.641 40.800 0.082 0.000 0.967 331 D HN 0.254 nan 8.370 nan 0.000 0.464 332 L N 0.443 121.759 121.223 0.155 0.000 2.079 332 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 332 L C 2.553 179.589 176.870 0.275 0.000 1.081 332 L CA 0.668 55.593 54.840 0.143 0.000 0.752 332 L CB -0.345 41.714 42.059 -0.000 0.000 0.896 332 L HN 0.024 nan 8.230 nan 0.000 0.433 333 L N -0.567 120.881 121.223 0.375 0.000 2.093 333 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 333 L C 2.605 179.623 176.870 0.246 0.000 1.085 333 L CA 1.302 56.325 54.840 0.305 0.000 0.755 333 L CB -0.454 41.797 42.059 0.319 0.000 0.904 333 L HN 0.195 nan 8.230 nan 0.000 0.435 334 K N 0.556 121.079 120.400 0.204 0.000 2.057 334 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 334 K C 1.934 178.612 176.600 0.130 0.000 1.049 334 K CA 1.556 57.939 56.287 0.160 0.000 0.931 334 K CB -0.231 32.346 32.500 0.129 0.000 0.714 334 K HN 0.430 nan 8.250 nan 0.000 0.440 335 I N -1.558 119.077 120.570 0.108 0.000 3.444 335 I HA -0.067 4.103 4.170 -0.000 0.000 0.287 335 I C 1.099 177.258 176.117 0.070 0.000 1.302 335 I CA 0.970 62.315 61.300 0.075 0.000 1.368 335 I CB -0.063 37.966 38.000 0.048 0.000 1.048 335 I HN 0.014 nan 8.210 nan 0.000 0.487 336 L N 0.737 122.014 121.223 0.090 0.000 2.693 336 L HA 0.200 4.540 4.340 -0.000 0.000 0.235 336 L C 1.653 178.668 176.870 0.241 0.000 1.127 336 L CA 0.611 55.503 54.840 0.088 0.000 0.914 336 L CB 0.150 42.120 42.059 -0.147 0.000 1.193 336 L HN 0.484 nan 8.230 nan 0.000 0.502 337 T N -4.363 110.326 114.554 0.226 0.000 3.349 337 T HA 0.021 4.371 4.350 -0.000 0.000 0.169 337 T C 1.479 176.266 174.700 0.145 0.000 0.938 337 T CA 0.689 62.927 62.100 0.230 0.000 1.017 337 T CB -0.609 68.428 68.868 0.282 0.000 1.476 337 T HN -0.148 nan 8.240 nan 0.000 0.327 338 V N 2.137 122.131 119.914 0.132 0.000 2.295 338 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 338 V C 2.252 178.392 176.094 0.078 0.000 1.049 338 V CA 2.255 64.612 62.300 0.095 0.000 1.024 338 V CB -1.603 30.274 31.823 0.089 0.000 0.648 338 V HN 0.388 nan 8.190 nan 0.000 0.447 339 N N 1.739 120.488 118.700 0.081 0.000 2.043 339 N HA -0.053 4.686 4.740 -0.000 0.000 0.193 339 N C -0.251 175.294 175.510 0.057 0.000 1.037 339 N CA 2.331 55.419 53.050 0.064 0.000 0.851 339 N CB -1.847 36.678 38.487 0.063 0.000 1.027 339 N HN 0.479 nan 8.380 nan 0.000 0.422 340 P HA -0.018 nan 4.420 nan 0.000 0.218 340 P C 0.942 178.268 177.300 0.044 0.000 1.149 340 P CA 1.320 64.452 63.100 0.053 0.000 0.817 340 P CB -0.004 31.734 31.700 0.062 0.000 0.785 341 A N 0.966 123.816 122.820 0.050 0.000 1.873 341 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 341 A C 2.406 180.009 177.584 0.032 0.000 1.193 341 A CA 2.718 54.778 52.037 0.038 0.000 0.629 341 A CB -1.313 17.714 19.000 0.045 0.000 0.826 341 A HN 0.125 nan 8.150 nan 0.000 0.447 342 K N 0.097 120.519 120.400 0.037 0.000 2.026 342 K HA -0.043 4.276 4.320 -0.000 0.000 0.208 342 K C 1.657 178.275 176.600 0.029 0.000 1.048 342 K CA 1.752 58.058 56.287 0.032 0.000 0.929 342 K CB -0.542 31.979 32.500 0.035 0.000 0.713 342 K HN 0.506 nan 8.250 nan 0.000 0.439 343 I N 0.506 121.095 120.570 0.031 0.000 2.264 343 I HA -0.255 3.914 4.170 -0.000 0.000 0.248 343 I C 1.680 177.813 176.117 0.026 0.000 1.111 343 I CA 1.141 62.459 61.300 0.030 0.000 1.382 343 I CB -0.165 37.854 38.000 0.032 0.000 1.060 343 I HN 0.144 nan 8.210 nan 0.000 0.418 344 L N 0.464 121.700 121.223 0.021 0.000 2.599 344 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 344 L C 1.437 178.313 176.870 0.011 0.000 1.141 344 L CA 0.434 55.281 54.840 0.012 0.000 0.877 344 L CB -0.519 41.539 42.059 -0.001 0.000 1.009 344 L HN 0.477 nan 8.230 nan 0.000 0.447 345 G N 0.747 109.557 108.800 0.016 0.000 2.176 345 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 345 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 345 G C 0.377 175.284 174.900 0.011 0.000 1.024 345 G CA 0.189 45.298 45.100 0.015 0.000 0.755 345 G HN 0.375 nan 8.290 nan 0.000 0.507 346 L N -0.600 120.629 121.223 0.011 0.000 3.168 346 L HA 0.271 4.610 4.340 -0.000 0.000 0.277 346 L C 1.761 178.640 176.870 0.015 0.000 1.245 346 L CA 0.019 54.864 54.840 0.008 0.000 1.035 346 L CB 0.397 42.455 42.059 -0.002 0.000 1.399 346 L HN 0.179 nan 8.230 nan 0.000 0.580 347 E N -0.061 120.151 120.200 0.020 0.000 2.171 347 E HA -0.233 4.116 4.350 -0.000 0.000 0.197 347 E C 1.157 177.770 176.600 0.022 0.000 0.997 347 E CA 1.326 57.741 56.400 0.025 0.000 0.810 347 E CB -0.107 29.608 29.700 0.026 0.000 0.738 347 E HN 0.360 nan 8.360 nan 0.000 0.467 348 D N -0.249 120.161 120.400 0.017 0.000 2.317 348 D HA -0.012 4.628 4.640 -0.000 0.000 0.211 348 D C 1.637 177.946 176.300 0.015 0.000 0.966 348 D CA 0.474 54.483 54.000 0.015 0.000 0.876 348 D CB 0.236 41.043 40.800 0.012 0.000 0.927 348 D HN 0.089 nan 8.370 nan 0.000 0.519 349 R N 0.122 120.630 120.500 0.013 0.000 2.140 349 R HA 0.274 4.614 4.340 -0.000 0.000 0.200 349 R C 1.398 177.707 176.300 0.014 0.000 1.069 349 R CA 0.309 56.415 56.100 0.011 0.000 1.088 349 R CB 0.780 31.082 30.300 0.003 0.000 1.012 349 R HN 0.249 nan 8.270 nan 0.000 0.500 350 I N -5.168 115.412 120.570 0.017 0.000 3.239 350 I HA 0.695 4.865 4.170 -0.000 0.000 0.314 350 I C 0.556 176.696 176.117 0.038 0.000 1.126 350 I CA -0.418 60.895 61.300 0.022 0.000 0.973 350 I CB 2.300 40.306 38.000 0.010 0.000 1.252 350 I HN 0.288 nan 8.210 nan 0.000 0.463 351 G N 1.867 110.698 108.800 0.052 0.000 2.195 351 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.224 351 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.224 351 G C 0.057 175.010 174.900 0.088 0.000 0.990 351 G CA 0.197 45.345 45.100 0.081 0.000 0.639 351 G HN 1.545 nan 8.290 nan 0.000 0.514 352 S N -0.968 114.771 115.700 0.065 0.000 2.607 352 S HA 0.745 5.215 4.470 -0.000 0.000 0.273 352 S C -0.636 173.991 174.600 0.044 0.000 1.148 352 S CA -0.879 57.359 58.200 0.062 0.000 0.833 352 S CB 1.854 65.090 63.200 0.059 0.000 1.130 352 S HN 0.732 nan 8.310 nan 0.000 0.470 353 I N 1.519 122.114 120.570 0.041 0.000 2.276 353 I HA 0.439 4.609 4.170 -0.000 0.000 0.290 353 I C -0.135 176.010 176.117 0.046 0.000 1.109 353 I CA 0.078 61.399 61.300 0.036 0.000 1.229 353 I CB 0.081 38.094 38.000 0.022 0.000 1.452 353 I HN 0.621 nan 8.210 nan 0.000 0.497 354 E N 6.484 126.706 120.200 0.037 0.000 2.356 354 E HA 0.397 4.747 4.350 -0.000 0.000 0.275 354 E C -2.626 173.990 176.600 0.026 0.000 0.904 354 E CA -2.181 54.237 56.400 0.030 0.000 0.757 354 E CB 2.438 32.153 29.700 0.025 0.000 1.232 354 E HN 0.158 nan 8.360 nan 0.000 0.442 355 P HA -0.037 nan 4.420 nan 0.000 0.264 355 P C 0.653 177.962 177.300 0.016 0.000 1.183 355 P CA 1.252 64.363 63.100 0.017 0.000 0.763 355 P CB 0.398 32.104 31.700 0.009 0.000 0.807 356 G N 1.394 110.204 108.800 0.017 0.000 2.225 356 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 356 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 356 G C 0.339 175.250 174.900 0.018 0.000 0.988 356 G CA 0.108 45.217 45.100 0.015 0.000 0.625 356 G HN 0.527 nan 8.290 nan 0.000 0.527 357 K N 1.437 121.850 120.400 0.021 0.000 2.138 357 K HA 0.486 4.805 4.320 -0.000 0.000 0.251 357 K C 0.095 176.710 176.600 0.025 0.000 1.015 357 K CA -0.378 55.923 56.287 0.023 0.000 0.917 357 K CB 0.293 32.809 32.500 0.026 0.000 1.021 357 K HN 0.166 nan 8.250 nan 0.000 0.485 358 D N 0.971 121.385 120.400 0.024 0.000 2.455 358 D HA 0.063 4.703 4.640 -0.000 0.000 0.241 358 D C -0.366 175.954 176.300 0.034 0.000 1.138 358 D CA 0.240 54.256 54.000 0.027 0.000 0.877 358 D CB 0.747 41.559 40.800 0.021 0.000 1.187 358 D HN 0.487 nan 8.370 nan 0.000 0.451 359 A N 2.978 125.826 122.820 0.046 0.000 3.048 359 A HA 0.091 4.410 4.320 -0.000 0.000 0.264 359 A C -0.448 177.180 177.584 0.073 0.000 1.796 359 A CA -0.418 51.653 52.037 0.056 0.000 1.445 359 A CB -0.389 18.654 19.000 0.073 0.000 1.074 359 A HN 0.247 nan 8.150 nan 0.000 0.621 360 D N 1.302 121.732 120.400 0.050 0.000 2.396 360 D HA 0.546 5.186 4.640 -0.000 0.000 0.225 360 D C -0.426 175.890 176.300 0.027 0.000 1.121 360 D CA 0.460 54.491 54.000 0.052 0.000 0.853 360 D CB 1.072 41.888 40.800 0.025 0.000 1.043 360 D HN 0.359 nan 8.370 nan 0.000 0.500 361 L N 1.420 122.673 121.223 0.050 0.000 2.455 361 L HA 0.536 4.876 4.340 -0.000 0.000 0.264 361 L C -0.860 176.025 176.870 0.025 0.000 0.968 361 L CA -1.081 53.750 54.840 -0.015 0.000 0.827 361 L CB 2.543 44.502 42.059 -0.166 0.000 1.317 361 L HN -0.046 nan 8.230 nan 0.000 0.407 362 V N 3.098 123.007 119.914 -0.008 0.000 2.483 362 V HA 0.390 4.509 4.120 -0.000 0.000 0.297 362 V C -0.200 175.908 176.094 0.024 0.000 1.027 362 V CA -0.713 61.560 62.300 -0.045 0.000 0.855 362 V CB 2.261 34.005 31.823 -0.133 0.000 0.995 362 V HN 0.413 nan 8.190 nan 0.000 0.424 363 V N 4.382 124.277 119.914 -0.032 0.000 2.385 363 V HA 0.359 4.478 4.120 -0.000 0.000 0.269 363 V C -0.588 175.509 176.094 0.004 0.000 1.043 363 V CA -0.375 61.958 62.300 0.056 0.000 0.906 363 V CB 0.746 32.615 31.823 0.077 0.000 0.995 363 V HN 0.861 nan 8.190 nan 0.000 0.467 364 W N 2.429 123.793 121.300 0.107 0.000 2.570 364 W HA 0.416 5.075 4.660 -0.000 0.000 0.337 364 W C 1.521 178.103 176.519 0.104 0.000 1.067 364 W CA -0.381 56.994 57.345 0.050 0.000 1.229 364 W CB 1.894 31.316 29.460 -0.064 0.000 1.355 364 W HN 0.623 nan 8.180 nan 0.000 0.555 365 S N 0.726 116.603 115.700 0.294 0.000 2.489 365 S HA 0.372 4.841 4.470 -0.000 0.000 0.228 365 S C 0.640 175.328 174.600 0.146 0.000 0.995 365 S CA 0.613 58.938 58.200 0.209 0.000 0.934 365 S CB -0.070 63.216 63.200 0.144 0.000 0.771 365 S HN 0.642 nan 8.310 nan 0.000 0.522 366 G N -0.389 108.382 108.800 -0.049 0.000 2.561 366 G HA2 0.350 4.309 3.960 -0.000 0.000 0.310 366 G HA3 0.350 4.309 3.960 -0.000 0.000 0.310 366 G C -1.646 172.664 174.900 -0.982 0.000 1.292 366 G CA -0.849 43.871 45.100 -0.633 0.000 0.811 366 G HN 0.227 nan 8.290 nan 0.000 0.482 367 H N 0.946 119.283 119.070 -1.222 0.000 2.964 367 H HA 0.131 4.687 4.556 -0.000 0.000 0.328 367 H C -1.431 173.391 175.328 -0.845 0.000 1.030 367 H CA -0.617 54.875 56.048 -0.927 0.000 1.445 367 H CB 1.904 31.343 29.762 -0.539 0.000 1.449 367 H HN -0.013 nan 8.280 nan 0.000 0.581 368 P HA -0.132 nan 4.420 nan 0.000 0.221 368 P C 0.697 177.686 177.300 -0.519 0.000 1.145 368 P CA 1.049 63.240 63.100 -1.514 0.000 0.795 368 P CB 0.034 30.434 31.700 -2.166 0.000 0.775 369 F N -1.389 118.463 119.950 -0.165 0.000 2.797 369 F HA 0.163 4.690 4.527 -0.000 0.000 0.302 369 F C 1.200 176.923 175.800 -0.129 0.000 1.130 369 F CA -0.709 57.216 58.000 -0.125 0.000 1.387 369 F CB -1.067 37.871 39.000 -0.103 0.000 1.107 369 F HN -0.039 nan 8.300 nan 0.000 0.577 373 S N 1.993 117.744 115.700 0.084 0.000 2.562 373 S HA 0.349 4.819 4.470 -0.000 0.000 0.281 373 S C 0.115 174.892 174.600 0.295 0.000 1.333 373 S CA -0.531 57.760 58.200 0.152 0.000 1.052 373 S CB 1.280 64.526 63.200 0.077 0.000 0.884 373 S HN 0.221 nan 8.310 nan 0.000 0.506 374 V N 0.050 120.126 119.914 0.270 0.000 2.962 374 V HA 0.686 4.806 4.120 -0.000 0.000 0.313 374 V C -0.399 175.646 176.094 -0.080 0.000 1.099 374 V CA -1.051 61.332 62.300 0.139 0.000 0.971 374 V CB 1.609 33.480 31.823 0.081 0.000 1.028 374 V HN 0.507 nan 8.190 nan 0.000 0.430 375 V N 3.337 122.990 119.914 -0.434 0.000 2.470 375 V HA 0.269 4.389 4.120 -0.000 0.000 0.276 375 V C 1.085 177.108 176.094 -0.118 0.000 1.040 375 V CA 0.378 62.303 62.300 -0.626 0.000 1.008 375 V CB 0.471 31.803 31.823 -0.818 0.000 0.990 375 V HN 1.101 nan 8.190 nan 0.000 0.477 376 E N 4.157 124.306 120.200 -0.085 0.000 2.201 376 E HA 0.208 4.558 4.350 -0.000 0.000 0.193 376 E C 0.403 177.003 176.600 -0.000 0.000 0.957 376 E CA 0.330 56.729 56.400 -0.002 0.000 0.858 376 E CB 0.575 30.286 29.700 0.019 0.000 0.816 376 E HN 0.558 nan 8.360 nan 0.000 0.475 377 R N 0.269 120.781 120.500 0.020 0.000 2.668 377 R HA 0.491 4.831 4.340 -0.000 0.000 0.272 377 R C -1.549 174.758 176.300 0.012 0.000 1.019 377 R CA -0.530 55.575 56.100 0.008 0.000 0.894 377 R CB 2.724 33.029 30.300 0.008 0.000 1.228 377 R HN -0.161 nan 8.270 nan 0.000 0.460 378 V N 2.556 122.459 119.914 -0.019 0.000 2.638 378 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 378 V C -1.389 174.611 176.094 -0.156 0.000 1.052 378 V CA -0.883 61.399 62.300 -0.030 0.000 0.885 378 V CB 1.750 33.564 31.823 -0.016 0.000 0.999 378 V HN 0.591 nan 8.190 nan 0.000 0.424 379 Y N 4.075 124.396 120.300 0.035 0.000 2.393 379 Y HA 0.716 5.266 4.550 -0.000 0.000 0.341 379 Y C 0.016 175.943 175.900 0.044 0.000 0.988 379 Y CA -0.804 57.336 58.100 0.066 0.000 1.078 379 Y CB 1.879 40.403 38.460 0.106 0.000 1.203 379 Y HN 0.432 nan 8.280 nan 0.000 0.453 380 I N 3.306 123.989 120.570 0.188 0.000 2.436 380 I HA 0.230 4.399 4.170 -0.000 0.000 0.289 380 I C -0.751 175.440 176.117 0.124 0.000 1.010 380 I CA -0.726 60.647 61.300 0.122 0.000 1.098 380 I CB 1.698 39.747 38.000 0.081 0.000 1.266 380 I HN 0.699 nan 8.210 nan 0.000 0.434 381 D N 5.041 125.499 120.400 0.096 0.000 2.751 381 D HA -0.202 4.438 4.640 -0.000 0.000 0.233 381 D C 1.127 177.495 176.300 0.113 0.000 1.149 381 D CA 1.550 55.600 54.000 0.084 0.000 0.682 381 D CB -1.068 39.769 40.800 0.062 0.000 1.068 381 D HN 1.162 nan 8.370 nan 0.000 0.429 382 G N -1.929 106.967 108.800 0.160 0.000 2.155 382 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 382 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 382 G C 0.329 175.403 174.900 0.291 0.000 0.983 382 G CA 0.431 45.643 45.100 0.187 0.000 0.676 382 G HN 0.618 nan 8.290 nan 0.000 0.528 383 V N 0.360 120.448 119.914 0.291 0.000 2.417 383 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 383 V C 0.566 176.782 176.094 0.203 0.000 1.024 383 V CA -0.799 61.646 62.300 0.241 0.000 0.861 383 V CB 1.847 33.745 31.823 0.126 0.000 0.985 383 V HN 0.434 nan 8.190 nan 0.000 0.436 384 E N 2.931 123.170 120.200 0.066 0.000 2.351 384 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 384 E C 0.622 177.137 176.600 -0.142 0.000 1.031 384 E CA -0.028 56.162 56.400 -0.350 0.000 0.911 384 E CB 1.068 30.540 29.700 -0.380 0.000 0.986 384 E HN 0.684 nan 8.360 nan 0.000 0.446 385 V N 2.791 122.638 119.914 -0.111 0.000 3.556 385 V HA 0.410 4.530 4.120 -0.000 0.000 0.287 385 V C -0.192 175.949 176.094 0.078 0.000 1.422 385 V CA -0.305 62.000 62.300 0.008 0.000 1.038 385 V CB -0.243 31.619 31.823 0.065 0.000 0.850 385 V HN 0.508 nan 8.190 nan 0.000 0.437 386 F N 0.994 120.838 119.950 -0.177 0.000 2.622 386 F HA 0.741 5.267 4.527 -0.000 0.000 0.318 386 F C -0.872 174.817 175.800 -0.186 0.000 1.135 386 F CA -0.947 56.958 58.000 -0.158 0.000 1.015 386 F CB 1.538 40.450 39.000 -0.146 0.000 1.275 386 F HN 0.047 nan 8.300 nan 0.000 0.457 387 R N 5.727 125.688 120.500 -0.899 0.000 2.575 387 R HA 0.493 4.833 4.340 -0.000 0.000 0.293 387 R C -0.426 175.276 176.300 -0.996 0.000 0.983 387 R CA -0.879 54.783 56.100 -0.729 0.000 0.887 387 R CB 1.806 31.882 30.300 -0.373 0.000 1.184 387 R HN 0.972 nan 8.270 nan 0.000 0.445 388 R N 0.000 120.098 120.500 -0.671 0.000 2.786 388 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 388 R CA 0.000 55.862 56.100 -0.396 0.000 0.921 388 R CB 0.000 30.236 30.300 -0.107 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535