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 2p2g_1_A DATA FIRST_RESID 1 DATA SEQUENCE VIRHFLRDDD LSPAEQAEVL ELAAELKKDP VSRRPLQGPR GVAVIFDKNS DATA SEQUENCE TRTRFSFELG IAQLGGHAVV VDSGSTQLGR DETLQDTAKV LSRYVDAIVW DATA SEQUENCE RTFGQERLDA MASVATVPVI NALSDEFHPC QVLADLQTIA ERKGALRGLR DATA SEQUENCE LSYFGDGANN MAHSLLLGGV TAGIHVTVAA PEGFLPDPSV RAAAERRAQD DATA SEQUENCE TGASVTVTAD AHAAAAGADV LVTDTWXXXX XXXXXXXXVK PFRPFQLNSR DATA SEQUENCE LLALADSDAI VLHCLPAHRG DEITDAVMDG PASAVWDEAE NRLHAQKALL DATA SEQUENCE VWLLERS 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.051 176.094 -0.072 0.000 1.182 1 V CA 0.000 62.265 62.300 -0.059 0.000 1.235 1 V CB 0.000 31.796 31.823 -0.044 0.000 1.184 2 I N 3.906 124.411 120.570 -0.108 0.000 8.141 2 I HA -0.121 4.049 4.170 0.000 0.000 0.126 2 I C -0.055 175.880 176.117 -0.302 0.000 1.794 2 I CA 0.723 61.906 61.300 -0.195 0.000 2.140 2 I CB -1.099 36.800 38.000 -0.168 0.000 3.671 2 I HN 0.679 nan 8.210 nan 0.000 0.200 3 R N 5.971 126.316 120.500 -0.259 0.000 2.294 3 R HA 0.539 4.879 4.340 0.000 0.000 0.319 3 R C 0.269 176.451 176.300 -0.197 0.000 0.984 3 R CA -0.618 55.396 56.100 -0.144 0.000 0.861 3 R CB 1.424 31.767 30.300 0.072 0.000 1.104 3 R HN 0.476 nan 8.270 nan 0.000 0.451 4 H N 1.432 120.601 119.070 0.165 0.000 2.615 4 H HA 0.384 4.940 4.556 0.000 0.000 0.346 4 H C -0.739 174.751 175.328 0.271 0.000 1.200 4 H CA -0.616 55.539 56.048 0.178 0.000 1.264 4 H CB 1.753 31.584 29.762 0.114 0.000 1.699 4 H HN 0.347 nan 8.280 nan 0.000 0.567 5 F N 2.320 122.387 119.950 0.195 0.000 2.824 5 F HA 0.246 4.773 4.527 0.000 0.000 0.375 5 F C -0.461 175.373 175.800 0.057 0.000 1.190 5 F CA -0.448 57.610 58.000 0.097 0.000 1.180 5 F CB -0.126 38.929 39.000 0.092 0.000 1.477 5 F HN 0.332 nan 8.300 nan 0.000 0.542 6 L N 3.844 124.920 121.223 -0.245 0.000 2.642 6 L HA 0.384 4.724 4.340 0.000 0.000 0.233 6 L C 0.450 177.034 176.870 -0.475 0.000 1.077 6 L CA -0.039 54.642 54.840 -0.265 0.000 0.879 6 L CB -0.005 41.978 42.059 -0.128 0.000 1.151 6 L HN 0.334 nan 8.230 nan 0.000 0.495 7 R N -1.181 118.910 120.500 -0.682 0.000 2.817 7 R HA 0.371 4.711 4.340 0.000 0.000 0.268 7 R C -0.727 175.122 176.300 -0.752 0.000 1.027 7 R CA -0.780 54.775 56.100 -0.909 0.000 0.928 7 R CB 0.811 30.365 30.300 -1.244 0.000 1.228 7 R HN -0.266 nan 8.270 nan 0.000 0.469 8 D N 0.446 120.533 120.400 -0.521 0.000 2.218 8 D HA -0.154 4.486 4.640 0.000 0.000 0.204 8 D C 0.650 176.905 176.300 -0.076 0.000 0.976 8 D CA 1.564 55.434 54.000 -0.217 0.000 0.853 8 D CB -0.024 40.735 40.800 -0.068 0.000 0.939 8 D HN 0.653 nan 8.370 nan 0.000 0.481 9 D N -0.253 120.054 120.400 -0.155 0.000 2.339 9 D HA -0.063 4.577 4.640 0.000 0.000 0.217 9 D C 0.767 177.040 176.300 -0.044 0.000 1.050 9 D CA 0.098 54.051 54.000 -0.077 0.000 0.856 9 D CB -0.142 40.605 40.800 -0.089 0.000 0.922 9 D HN -0.066 nan 8.370 nan 0.000 0.518 10 D N 0.392 120.764 120.400 -0.047 0.000 2.265 10 D HA -0.020 4.620 4.640 0.000 0.000 0.208 10 D C 0.520 176.890 176.300 0.116 0.000 0.977 10 D CA 0.618 54.648 54.000 0.049 0.000 0.871 10 D CB 0.201 41.051 40.800 0.083 0.000 0.925 10 D HN 0.338 nan 8.370 nan 0.000 0.485 11 L N 0.705 121.994 121.223 0.111 0.000 2.307 11 L HA 0.226 4.566 4.340 0.000 0.000 0.282 11 L C 0.788 177.647 176.870 -0.018 0.000 1.051 11 L CA -0.686 54.148 54.840 -0.010 0.000 0.804 11 L CB 1.658 43.633 42.059 -0.141 0.000 1.197 11 L HN -0.107 nan 8.230 nan 0.000 0.431 12 S N 2.171 117.863 115.700 -0.014 0.000 2.614 12 S HA 0.295 4.765 4.470 0.000 0.000 0.265 12 S C -1.889 172.689 174.600 -0.037 0.000 1.303 12 S CA -1.120 57.075 58.200 -0.008 0.000 1.000 12 S CB 1.155 64.367 63.200 0.020 0.000 0.935 12 S HN 0.400 nan 8.310 nan 0.000 0.551 13 P HA -0.181 nan 4.420 nan 0.000 0.218 13 P C 1.520 178.796 177.300 -0.041 0.000 1.154 13 P CA 2.329 65.406 63.100 -0.038 0.000 0.872 13 P CB -0.256 31.428 31.700 -0.027 0.000 0.790 14 A N -0.489 122.320 122.820 -0.018 0.000 1.897 14 A HA -0.201 4.119 4.320 0.000 0.000 0.215 14 A C 2.159 179.735 177.584 -0.014 0.000 1.181 14 A CA 1.546 53.581 52.037 -0.002 0.000 0.620 14 A CB -1.146 17.870 19.000 0.027 0.000 0.821 14 A HN 0.169 nan 8.150 nan 0.000 0.443 15 E N -0.671 119.515 120.200 -0.024 0.000 2.110 15 E HA -0.239 4.111 4.350 0.000 0.000 0.193 15 E C 2.237 178.610 176.600 -0.377 0.000 0.988 15 E CA 1.252 57.582 56.400 -0.117 0.000 0.804 15 E CB -0.127 29.505 29.700 -0.113 0.000 0.745 15 E HN 0.737 nan 8.360 nan 0.000 0.458 16 Q N 0.142 119.784 119.800 -0.263 0.000 2.079 16 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 16 Q C 2.188 178.064 176.000 -0.206 0.000 0.974 16 Q CA 1.212 56.856 55.803 -0.265 0.000 0.840 16 Q CB -0.069 28.578 28.738 -0.151 0.000 0.898 16 Q HN 0.254 nan 8.270 nan 0.000 0.430 17 A N 0.851 123.595 122.820 -0.127 0.000 1.908 17 A HA -0.245 4.075 4.320 0.000 0.000 0.218 17 A C 1.781 179.319 177.584 -0.078 0.000 1.181 17 A CA 1.726 53.716 52.037 -0.080 0.000 0.627 17 A CB -0.530 18.445 19.000 -0.041 0.000 0.818 17 A HN 0.476 nan 8.150 nan 0.000 0.445 18 E N -0.502 119.651 120.200 -0.078 0.000 2.051 18 E HA -0.139 4.211 4.350 0.000 0.000 0.192 18 E C 2.034 178.590 176.600 -0.072 0.000 0.991 18 E CA 1.446 57.838 56.400 -0.014 0.000 0.799 18 E CB -0.261 29.523 29.700 0.139 0.000 0.748 18 E HN 0.394 nan 8.360 nan 0.000 0.449 19 V N 1.400 121.153 119.914 -0.267 0.000 2.287 19 V HA -0.282 3.838 4.120 0.000 0.000 0.248 19 V C 2.341 178.353 176.094 -0.138 0.000 1.053 19 V CA 1.581 63.719 62.300 -0.270 0.000 1.027 19 V CB -0.503 31.028 31.823 -0.487 0.000 0.646 19 V HN 0.291 nan 8.190 nan 0.000 0.447 20 L N -0.260 120.883 121.223 -0.133 0.000 2.046 20 L HA -0.200 4.140 4.340 0.000 0.000 0.208 20 L C 2.656 179.497 176.870 -0.048 0.000 1.077 20 L CA 1.929 56.720 54.840 -0.081 0.000 0.747 20 L CB -0.580 41.434 42.059 -0.075 0.000 0.896 20 L HN 0.442 nan 8.230 nan 0.000 0.432 21 E N 0.334 120.511 120.200 -0.039 0.000 2.106 21 E HA -0.252 4.098 4.350 0.000 0.000 0.192 21 E C 2.197 178.792 176.600 -0.008 0.000 0.984 21 E CA 0.957 57.346 56.400 -0.018 0.000 0.806 21 E CB 0.073 29.769 29.700 -0.007 0.000 0.750 21 E HN 0.263 nan 8.360 nan 0.000 0.458 22 L N 0.918 122.142 121.223 0.002 0.000 2.093 22 L HA -0.037 4.303 4.340 0.000 0.000 0.208 22 L C 2.238 179.113 176.870 0.009 0.000 1.085 22 L CA 2.010 56.862 54.840 0.021 0.000 0.755 22 L CB -0.846 41.245 42.059 0.054 0.000 0.904 22 L HN 0.117 nan 8.230 nan 0.000 0.435 23 A N -0.387 122.430 122.820 -0.004 0.000 1.908 23 A HA -0.162 4.158 4.320 0.000 0.000 0.218 23 A C 2.448 180.020 177.584 -0.020 0.000 1.181 23 A CA 1.969 54.009 52.037 0.005 0.000 0.627 23 A CB -1.109 17.888 19.000 -0.004 0.000 0.818 23 A HN 0.564 nan 8.150 nan 0.000 0.445 24 A N -0.342 122.457 122.820 -0.035 0.000 1.930 24 A HA -0.114 4.206 4.320 0.000 0.000 0.217 24 A C 1.883 179.431 177.584 -0.060 0.000 1.175 24 A CA 1.536 53.537 52.037 -0.059 0.000 0.627 24 A CB -0.446 18.529 19.000 -0.043 0.000 0.815 24 A HN 0.639 nan 8.150 nan 0.000 0.443 25 E N -0.259 119.922 120.200 -0.031 0.000 2.150 25 E HA -0.068 4.282 4.350 0.000 0.000 0.193 25 E C 1.797 178.383 176.600 -0.022 0.000 0.985 25 E CA 0.884 57.272 56.400 -0.021 0.000 0.814 25 E CB -0.195 29.504 29.700 -0.002 0.000 0.752 25 E HN 0.592 nan 8.360 nan 0.000 0.466 26 L N 0.833 122.049 121.223 -0.011 0.000 2.240 26 L HA -0.091 4.249 4.340 0.000 0.000 0.211 26 L C 2.503 179.365 176.870 -0.013 0.000 1.106 26 L CA 0.762 55.614 54.840 0.019 0.000 0.793 26 L CB -0.117 41.980 42.059 0.063 0.000 0.927 26 L HN 0.032 nan 8.230 nan 0.000 0.446 27 K N 0.513 120.808 120.400 -0.176 0.000 2.026 27 K HA -0.230 4.090 4.320 0.000 0.000 0.208 27 K C 2.258 178.711 176.600 -0.246 0.000 1.048 27 K CA 1.382 57.346 56.287 -0.538 0.000 0.929 27 K CB 0.038 32.146 32.500 -0.654 0.000 0.713 27 K HN 0.036 nan 8.250 nan 0.000 0.439 28 K N 0.013 120.329 120.400 -0.139 0.000 2.148 28 K HA -0.083 4.237 4.320 0.000 0.000 0.204 28 K C -0.365 176.214 176.600 -0.035 0.000 1.050 28 K CA 1.072 57.315 56.287 -0.074 0.000 0.942 28 K CB 0.260 32.728 32.500 -0.053 0.000 0.724 28 K HN 0.182 nan 8.250 nan 0.000 0.446 29 D N 0.073 120.461 120.400 -0.020 0.000 2.363 29 D HA 0.150 4.790 4.640 0.000 0.000 0.258 29 D C -2.208 174.109 176.300 0.027 0.000 1.259 29 D CA -1.467 52.536 54.000 0.006 0.000 0.921 29 D CB 1.847 42.651 40.800 0.006 0.000 1.201 29 D HN -0.036 nan 8.370 nan 0.000 0.524 30 P HA -0.088 nan 4.420 nan 0.000 0.221 30 P C 1.353 178.689 177.300 0.061 0.000 1.150 30 P CA 0.611 63.759 63.100 0.080 0.000 0.800 30 P CB 0.411 32.173 31.700 0.103 0.000 0.787 31 V N -3.908 116.032 119.914 0.045 0.000 3.319 31 V HA 0.210 4.330 4.120 0.000 0.000 0.317 31 V C 1.858 177.971 176.094 0.031 0.000 1.411 31 V CA 0.598 62.921 62.300 0.039 0.000 1.112 31 V CB -0.745 31.099 31.823 0.035 0.000 1.031 31 V HN 0.069 nan 8.190 nan 0.000 0.448 32 S N 0.827 116.544 115.700 0.029 0.000 2.383 32 S HA 0.069 4.539 4.470 0.000 0.000 0.227 32 S C 1.148 175.762 174.600 0.023 0.000 1.026 32 S CA 0.347 58.561 58.200 0.023 0.000 0.981 32 S CB -0.311 62.900 63.200 0.019 0.000 0.818 32 S HN 0.633 nan 8.310 nan 0.000 0.472 33 R N 1.231 121.748 120.500 0.029 0.000 2.346 33 R HA 0.478 4.818 4.340 0.000 0.000 0.311 33 R C -0.242 176.077 176.300 0.031 0.000 0.983 33 R CA -0.349 55.768 56.100 0.028 0.000 0.880 33 R CB 0.669 30.989 30.300 0.033 0.000 1.100 33 R HN 0.267 nan 8.270 nan 0.000 0.453 34 R N 2.483 122.999 120.500 0.026 0.000 2.688 34 R HA 0.177 4.517 4.340 0.000 0.000 0.396 34 R C -1.833 174.482 176.300 0.025 0.000 1.081 34 R CA -1.227 54.889 56.100 0.027 0.000 1.093 34 R CB 1.118 31.432 30.300 0.024 0.000 1.338 34 R HN 0.446 nan 8.270 nan 0.000 0.613 35 P HA -0.061 nan 4.420 nan 0.000 0.230 35 P C 0.763 178.078 177.300 0.025 0.000 1.158 35 P CA 0.809 63.921 63.100 0.020 0.000 0.769 35 P CB 0.383 32.094 31.700 0.019 0.000 0.807 36 L N -1.225 120.018 121.223 0.034 0.000 2.769 36 L HA 0.262 4.602 4.340 0.000 0.000 0.240 36 L C 1.031 177.924 176.870 0.040 0.000 1.163 36 L CA -0.472 54.392 54.840 0.040 0.000 0.962 36 L CB -0.440 41.650 42.059 0.051 0.000 1.258 36 L HN -0.118 nan 8.230 nan 0.000 0.513 37 Q N 0.729 120.549 119.800 0.033 0.000 2.348 37 Q HA 0.214 4.554 4.340 0.000 0.000 0.331 37 Q C 0.916 176.932 176.000 0.027 0.000 1.099 37 Q CA 1.740 57.561 55.803 0.029 0.000 1.021 37 Q CB 0.561 29.312 28.738 0.022 0.000 1.166 37 Q HN 0.366 nan 8.270 nan 0.000 0.393 38 G N 3.139 111.954 108.800 0.026 0.000 4.142 38 G HA2 -0.033 3.927 3.960 0.000 0.000 0.131 38 G HA3 -0.033 3.927 3.960 0.000 0.000 0.131 38 G C -2.137 172.775 174.900 0.019 0.000 2.153 38 G CA -0.111 45.002 45.100 0.022 0.000 0.993 38 G HN 0.725 nan 8.290 nan 0.000 0.294 39 P HA 0.582 nan 4.420 nan 0.000 0.279 39 P C -0.628 176.702 177.300 0.051 0.000 1.239 39 P CA -0.196 62.935 63.100 0.051 0.000 0.789 39 P CB 1.146 32.896 31.700 0.084 0.000 0.933 40 R N 0.673 121.208 120.500 0.058 0.000 2.528 40 R HA 0.573 4.913 4.340 0.000 0.000 0.271 40 R C 0.651 177.002 176.300 0.085 0.000 1.056 40 R CA -0.449 55.686 56.100 0.059 0.000 1.117 40 R CB 0.706 31.035 30.300 0.048 0.000 1.085 40 R HN 0.689 nan 8.270 nan 0.000 0.530 41 G N -0.108 108.743 108.800 0.085 0.000 2.389 41 G HA2 0.480 4.440 3.960 0.000 0.000 0.317 41 G HA3 0.480 4.440 3.960 0.000 0.000 0.317 41 G C -0.945 173.999 174.900 0.074 0.000 1.137 41 G CA -0.400 44.761 45.100 0.102 0.000 0.870 41 G HN 0.246 nan 8.290 nan 0.000 0.496 42 V N 0.913 120.862 119.914 0.058 0.000 2.604 42 V HA 0.657 4.777 4.120 0.000 0.000 0.305 42 V C 0.467 176.560 176.094 -0.002 0.000 1.043 42 V CA -0.869 61.449 62.300 0.029 0.000 0.888 42 V CB 1.673 33.516 31.823 0.034 0.000 0.995 42 V HN 1.099 nan 8.190 nan 0.000 0.429 43 A N 4.599 127.403 122.820 -0.026 0.000 2.362 43 A HA 0.653 4.973 4.320 0.000 0.000 0.276 43 A C -0.430 177.078 177.584 -0.127 0.000 1.153 43 A CA -0.220 51.777 52.037 -0.066 0.000 0.813 43 A CB 0.419 19.367 19.000 -0.086 0.000 1.081 43 A HN 0.773 nan 8.150 nan 0.000 0.507 44 V N 4.943 124.781 119.914 -0.127 0.000 2.326 44 V HA 0.379 4.499 4.120 0.000 0.000 0.281 44 V C -0.352 175.612 176.094 -0.217 0.000 1.015 44 V CA -0.005 62.161 62.300 -0.222 0.000 0.823 44 V CB 0.424 32.170 31.823 -0.128 0.000 1.009 44 V HN 0.710 nan 8.190 nan 0.000 0.436 45 I N 4.945 125.322 120.570 -0.322 0.000 2.436 45 I HA 0.525 4.695 4.170 0.000 0.000 0.289 45 I C -1.092 174.925 176.117 -0.167 0.000 1.010 45 I CA -0.309 60.895 61.300 -0.160 0.000 1.098 45 I CB 1.965 39.855 38.000 -0.183 0.000 1.266 45 I HN 0.380 nan 8.210 nan 0.000 0.434 46 F N 4.191 124.206 119.950 0.108 0.000 2.382 46 F HA 0.303 4.830 4.527 0.000 0.000 0.361 46 F C 1.036 176.869 175.800 0.055 0.000 1.109 46 F CA -0.595 57.442 58.000 0.062 0.000 1.031 46 F CB 1.034 40.050 39.000 0.026 0.000 1.234 46 F HN 0.432 nan 8.300 nan 0.000 0.445 47 D N 1.215 121.689 120.400 0.122 0.000 2.219 47 D HA -0.110 4.530 4.640 0.000 0.000 0.205 47 D C 0.694 177.025 176.300 0.052 0.000 0.970 47 D CA 1.467 55.475 54.000 0.013 0.000 0.851 47 D CB 0.220 40.804 40.800 -0.359 0.000 0.943 47 D HN 0.214 nan 8.370 nan 0.000 0.488 48 K N 0.293 120.723 120.400 0.050 0.000 2.507 48 K HA 0.244 4.564 4.320 0.000 0.000 0.251 48 K C -0.891 175.805 176.600 0.160 0.000 0.943 48 K CA -0.520 55.848 56.287 0.136 0.000 0.794 48 K CB 1.256 33.846 32.500 0.150 0.000 1.188 48 K HN -0.190 nan 8.250 nan 0.000 0.428 49 N N 1.193 119.929 118.700 0.060 0.000 2.374 49 N HA 0.051 4.791 4.740 0.000 0.000 0.241 49 N C -0.980 174.470 175.510 -0.100 0.000 1.262 49 N CA 0.321 53.289 53.050 -0.136 0.000 0.880 49 N CB 0.602 39.005 38.487 -0.140 0.000 1.105 49 N HN 0.398 nan 8.380 nan 0.000 0.438 50 S N 0.337 115.860 115.700 -0.296 0.000 2.387 50 S HA 0.130 4.600 4.470 0.000 0.000 0.211 50 S C 0.568 175.125 174.600 -0.072 0.000 1.055 50 S CA -0.736 57.437 58.200 -0.045 0.000 1.133 50 S CB 0.572 63.887 63.200 0.192 0.000 1.235 50 S HN 0.546 nan 8.310 nan 0.000 0.425 51 T N 4.688 119.230 114.554 -0.021 0.000 2.635 51 T HA -0.219 4.131 4.350 0.000 0.000 0.267 51 T C 2.169 177.009 174.700 0.235 0.000 1.040 51 T CA 2.029 64.174 62.100 0.076 0.000 1.156 51 T CB -0.312 68.623 68.868 0.111 0.000 0.863 51 T HN 0.824 nan 8.240 nan 0.000 0.430 52 R N 0.903 121.524 120.500 0.203 0.000 2.105 52 R HA -0.105 4.235 4.340 0.000 0.000 0.239 52 R C 2.200 178.670 176.300 0.283 0.000 1.135 52 R CA 1.866 58.098 56.100 0.220 0.000 0.967 52 R CB -1.293 29.091 30.300 0.140 0.000 0.861 52 R HN 0.248 nan 8.270 nan 0.000 0.442 53 T N 1.003 115.748 114.554 0.319 0.000 2.708 53 T HA -0.118 4.232 4.350 0.000 0.000 0.266 53 T C 1.826 176.854 174.700 0.547 0.000 1.037 53 T CA 1.431 63.808 62.100 0.461 0.000 1.146 53 T CB -0.265 68.938 68.868 0.559 0.000 0.865 53 T HN 0.328 nan 8.240 nan 0.000 0.435 54 R N -0.197 120.581 120.500 0.463 0.000 2.097 54 R HA -0.120 4.220 4.340 0.000 0.000 0.236 54 R C 2.193 178.629 176.300 0.226 0.000 1.135 54 R CA 1.680 57.993 56.100 0.355 0.000 0.934 54 R CB -0.624 29.684 30.300 0.014 0.000 0.846 54 R HN 0.344 nan 8.270 nan 0.000 0.431 55 F N 0.955 120.981 119.950 0.127 0.000 2.027 55 F HA -0.352 4.175 4.527 0.000 0.000 0.297 55 F C 2.947 178.787 175.800 0.066 0.000 1.129 55 F CA 2.390 60.434 58.000 0.074 0.000 1.195 55 F CB -0.762 38.261 39.000 0.038 0.000 0.960 55 F HN 0.205 nan 8.300 nan 0.000 0.485 56 S N -0.191 115.660 115.700 0.250 0.000 2.365 56 S HA -0.269 4.201 4.470 0.000 0.000 0.225 56 S C 1.956 176.555 174.600 -0.002 0.000 1.039 56 S CA 1.541 59.769 58.200 0.046 0.000 1.033 56 S CB -1.407 61.750 63.200 -0.072 0.000 0.887 56 S HN 0.213 nan 8.310 nan 0.000 0.447 57 F N 2.059 122.077 119.950 0.113 0.000 2.075 57 F HA 0.047 4.574 4.527 0.000 0.000 0.297 57 F C 2.849 178.674 175.800 0.042 0.000 1.113 57 F CA 1.443 59.490 58.000 0.080 0.000 1.218 57 F CB -0.658 38.397 39.000 0.092 0.000 0.984 57 F HN 0.270 nan 8.300 nan 0.000 0.472 58 E N 0.233 120.566 120.200 0.222 0.000 2.051 58 E HA -0.211 4.139 4.350 0.000 0.000 0.192 58 E C 2.314 178.937 176.600 0.037 0.000 0.991 58 E CA 1.167 57.614 56.400 0.078 0.000 0.799 58 E CB -0.256 29.438 29.700 -0.010 0.000 0.748 58 E HN 0.364 nan 8.360 nan 0.000 0.449 59 L N -0.112 121.138 121.223 0.046 0.000 2.109 59 L HA -0.055 4.285 4.340 0.000 0.000 0.207 59 L C 2.526 179.416 176.870 0.033 0.000 1.086 59 L CA 0.866 55.728 54.840 0.037 0.000 0.760 59 L CB -0.582 41.512 42.059 0.059 0.000 0.910 59 L HN 0.299 nan 8.230 nan 0.000 0.437 60 G N 0.751 109.568 108.800 0.028 0.000 2.514 60 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 60 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 60 G C 1.524 176.457 174.900 0.055 0.000 1.198 60 G CA 1.056 46.166 45.100 0.017 0.000 0.780 60 G HN 0.277 nan 8.290 nan 0.000 0.565 61 I N 1.585 122.207 120.570 0.087 0.000 2.163 61 I HA -0.210 3.961 4.170 0.000 0.000 0.243 61 I C 3.298 179.444 176.117 0.048 0.000 1.085 61 I CA 1.178 62.524 61.300 0.078 0.000 1.347 61 I CB -0.219 37.827 38.000 0.077 0.000 1.044 61 I HN 0.251 nan 8.210 nan 0.000 0.408 62 A N -0.004 122.834 122.820 0.030 0.000 1.940 62 A HA -0.263 4.057 4.320 0.000 0.000 0.219 62 A C 2.216 179.825 177.584 0.041 0.000 1.176 62 A CA 1.663 53.718 52.037 0.030 0.000 0.631 62 A CB -0.581 18.430 19.000 0.018 0.000 0.814 62 A HN 0.554 nan 8.150 nan 0.000 0.446 63 Q N -0.570 119.254 119.800 0.041 0.000 2.378 63 Q HA 0.145 4.485 4.340 0.000 0.000 0.205 63 Q C 1.267 177.293 176.000 0.045 0.000 0.954 63 Q CA 0.482 56.311 55.803 0.043 0.000 0.901 63 Q CB -0.126 28.638 28.738 0.043 0.000 0.981 63 Q HN 0.675 nan 8.270 nan 0.000 0.483 64 L N -0.553 120.699 121.223 0.048 0.000 2.612 64 L HA 0.207 4.547 4.340 0.000 0.000 0.230 64 L C 1.062 177.959 176.870 0.046 0.000 1.140 64 L CA 0.409 55.278 54.840 0.048 0.000 0.896 64 L CB -0.133 41.958 42.059 0.054 0.000 1.065 64 L HN 0.361 nan 8.230 nan 0.000 0.447 65 G N -0.171 108.657 108.800 0.047 0.000 2.175 65 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 65 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 65 G C 0.488 175.423 174.900 0.059 0.000 0.982 65 G CA -0.186 44.943 45.100 0.048 0.000 0.641 65 G HN 0.525 nan 8.290 nan 0.000 0.527 66 G N -1.190 107.650 108.800 0.066 0.000 2.537 66 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 66 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 66 G C -0.678 174.291 174.900 0.115 0.000 1.310 66 G CA -0.140 45.010 45.100 0.084 0.000 1.027 66 G HN 0.867 nan 8.290 nan 0.000 0.505 67 H N -1.061 118.024 119.070 0.026 0.000 2.727 67 H HA 0.596 5.152 4.556 0.000 0.000 0.330 67 H C -0.101 175.239 175.328 0.021 0.000 0.986 67 H CA -0.336 55.724 56.048 0.020 0.000 1.251 67 H CB 1.214 30.981 29.762 0.008 0.000 1.493 67 H HN 0.614 nan 8.280 nan 0.000 0.515 68 A N 5.009 127.574 122.820 -0.425 0.000 2.347 68 A HA 0.420 4.740 4.320 0.000 0.000 0.287 68 A C -0.500 176.913 177.584 -0.285 0.000 1.199 68 A CA -0.577 51.315 52.037 -0.241 0.000 0.851 68 A CB 0.105 19.020 19.000 -0.143 0.000 1.118 68 A HN 0.533 nan 8.150 nan 0.000 0.525 69 V N 4.699 124.586 119.914 -0.044 0.000 2.368 69 V HA 0.206 4.326 4.120 0.000 0.000 0.266 69 V C 0.006 176.099 176.094 -0.003 0.000 1.045 69 V CA -0.211 62.101 62.300 0.020 0.000 0.899 69 V CB 1.027 32.881 31.823 0.051 0.000 1.006 69 V HN 0.583 nan 8.190 nan 0.000 0.470 70 V N 6.423 126.345 119.914 0.013 0.000 2.350 70 V HA 0.436 4.556 4.120 0.000 0.000 0.276 70 V C -0.020 176.123 176.094 0.082 0.000 1.028 70 V CA -0.531 61.810 62.300 0.068 0.000 0.860 70 V CB 1.671 33.549 31.823 0.091 0.000 0.990 70 V HN 0.631 nan 8.190 nan 0.000 0.453 71 V N 4.079 124.055 119.914 0.105 0.000 2.448 71 V HA 0.588 4.708 4.120 0.000 0.000 0.295 71 V C -0.288 175.923 176.094 0.195 0.000 1.025 71 V CA -0.354 62.007 62.300 0.101 0.000 0.859 71 V CB 1.719 33.566 31.823 0.039 0.000 0.988 71 V HN 0.831 nan 8.190 nan 0.000 0.431 72 D N 3.577 124.064 120.400 0.145 0.000 2.377 72 D HA 0.226 4.866 4.640 0.000 0.000 0.245 72 D C 1.434 177.815 176.300 0.136 0.000 1.196 72 D CA 0.706 54.785 54.000 0.132 0.000 0.962 72 D CB 1.954 42.784 40.800 0.050 0.000 1.127 72 D HN 0.843 nan 8.370 nan 0.000 0.471 73 S N -0.476 115.299 115.700 0.124 0.000 2.500 73 S HA -0.076 4.394 4.470 0.000 0.000 0.239 73 S C 1.705 176.358 174.600 0.088 0.000 0.989 73 S CA 0.764 59.036 58.200 0.119 0.000 0.951 73 S CB -0.275 62.994 63.200 0.115 0.000 0.759 73 S HN 0.536 nan 8.310 nan 0.000 0.523 74 G N 0.475 109.314 108.800 0.065 0.000 2.920 74 G HA2 0.299 4.259 3.960 0.000 0.000 0.208 74 G HA3 0.299 4.259 3.960 0.000 0.000 0.208 74 G C 0.247 175.176 174.900 0.047 0.000 1.159 74 G CA -0.045 45.084 45.100 0.049 0.000 0.784 74 G HN 0.533 nan 8.290 nan 0.000 0.535 75 S N -0.485 115.249 115.700 0.057 0.000 2.718 75 S HA 0.470 4.940 4.470 0.000 0.000 0.300 75 S C 0.126 174.762 174.600 0.059 0.000 1.117 75 S CA -0.568 57.661 58.200 0.049 0.000 1.002 75 S CB 1.341 64.566 63.200 0.042 0.000 1.092 75 S HN 0.097 nan 8.310 nan 0.000 0.542 76 T N 2.635 117.220 114.554 0.050 0.000 2.905 76 T HA -0.017 4.333 4.350 0.000 0.000 0.299 76 T C 0.428 175.173 174.700 0.075 0.000 1.024 76 T CA 0.422 62.556 62.100 0.058 0.000 1.151 76 T CB -0.034 68.861 68.868 0.044 0.000 0.987 76 T HN 0.472 nan 8.240 nan 0.000 0.535 77 Q N 1.443 121.303 119.800 0.100 0.000 2.369 77 Q HA 0.006 4.347 4.340 0.000 0.000 0.295 77 Q C 1.061 177.133 176.000 0.119 0.000 1.075 77 Q CA -0.489 55.396 55.803 0.137 0.000 0.941 77 Q CB 0.333 29.173 28.738 0.170 0.000 1.260 77 Q HN 0.557 nan 8.270 nan 0.000 0.417 78 L N 3.258 124.569 121.223 0.147 0.000 2.275 78 L HA 0.004 4.344 4.340 0.000 0.000 0.215 78 L C 1.564 178.473 176.870 0.065 0.000 1.119 78 L CA 2.081 56.963 54.840 0.071 0.000 0.790 78 L CB -0.196 41.862 42.059 -0.002 0.000 0.919 78 L HN 0.808 nan 8.230 nan 0.000 0.443 79 G N -2.211 106.661 108.800 0.121 0.000 3.126 79 G HA2 0.002 3.962 3.960 0.000 0.000 0.224 79 G HA3 0.002 3.962 3.960 0.000 0.000 0.224 79 G C 1.424 176.367 174.900 0.072 0.000 1.142 79 G CA -0.319 44.839 45.100 0.096 0.000 0.759 79 G HN 0.207 nan 8.290 nan 0.000 0.550 80 R N 0.073 120.616 120.500 0.070 0.000 2.310 80 R HA 0.133 4.473 4.340 0.000 0.000 0.202 80 R C 0.633 176.957 176.300 0.041 0.000 0.933 80 R CA 0.512 56.647 56.100 0.058 0.000 1.054 80 R CB 0.351 30.689 30.300 0.063 0.000 0.985 80 R HN 0.165 nan 8.270 nan 0.000 0.489 81 D N 0.270 120.690 120.400 0.033 0.000 2.097 81 D HA 0.004 4.644 4.640 0.000 0.000 0.325 81 D C -0.359 175.951 176.300 0.016 0.000 1.087 81 D CA 0.598 54.612 54.000 0.024 0.000 0.917 81 D CB 0.965 41.779 40.800 0.023 0.000 1.784 81 D HN 0.255 nan 8.370 nan 0.000 0.532 82 E N 0.053 120.261 120.200 0.012 0.000 2.369 82 E HA 0.469 4.819 4.350 0.000 0.000 0.270 82 E C -0.234 176.370 176.600 0.006 0.000 0.909 82 E CA -0.897 55.507 56.400 0.005 0.000 0.775 82 E CB 1.390 31.087 29.700 -0.004 0.000 1.270 82 E HN -0.059 nan 8.360 nan 0.000 0.445 83 T N -0.670 113.887 114.554 0.005 0.000 2.906 83 T HA 0.030 4.380 4.350 0.000 0.000 0.320 83 T C 1.260 175.957 174.700 -0.004 0.000 1.088 83 T CA -0.345 61.760 62.100 0.009 0.000 1.120 83 T CB 0.303 69.175 68.868 0.007 0.000 1.000 83 T HN 0.550 nan 8.240 nan 0.000 0.550 84 L N 1.113 122.340 121.223 0.007 0.000 2.093 84 L HA -0.126 4.214 4.340 0.000 0.000 0.208 84 L C 3.098 179.943 176.870 -0.042 0.000 1.085 84 L CA 1.277 56.106 54.840 -0.020 0.000 0.755 84 L CB -0.641 41.438 42.059 0.034 0.000 0.904 84 L HN 0.689 nan 8.230 nan 0.000 0.435 85 Q N 0.048 119.836 119.800 -0.020 0.000 2.096 85 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 85 Q C 1.837 177.813 176.000 -0.039 0.000 0.982 85 Q CA 1.692 57.480 55.803 -0.026 0.000 0.850 85 Q CB -0.308 28.422 28.738 -0.012 0.000 0.901 85 Q HN 0.391 nan 8.270 nan 0.000 0.422 86 D N -0.673 119.706 120.400 -0.035 0.000 2.117 86 D HA -0.104 4.536 4.640 0.000 0.000 0.198 86 D C 1.770 178.036 176.300 -0.057 0.000 0.982 86 D CA 1.625 55.602 54.000 -0.039 0.000 0.828 86 D CB -0.428 40.356 40.800 -0.027 0.000 0.967 86 D HN 0.233 nan 8.370 nan 0.000 0.464 87 T N 0.672 115.185 114.554 -0.068 0.000 2.684 87 T HA -0.183 4.167 4.350 0.000 0.000 0.267 87 T C 2.036 176.667 174.700 -0.114 0.000 1.036 87 T CA 1.717 63.760 62.100 -0.095 0.000 1.148 87 T CB -0.444 68.340 68.868 -0.139 0.000 0.863 87 T HN 0.209 nan 8.240 nan 0.000 0.436 88 A N 1.887 124.636 122.820 -0.119 0.000 1.908 88 A HA -0.160 4.161 4.320 0.000 0.000 0.218 88 A C 2.294 179.828 177.584 -0.084 0.000 1.181 88 A CA 1.614 53.585 52.037 -0.111 0.000 0.627 88 A CB -0.459 18.487 19.000 -0.091 0.000 0.818 88 A HN 0.467 nan 8.150 nan 0.000 0.445 89 K N -0.523 119.832 120.400 -0.076 0.000 2.097 89 K HA -0.056 4.264 4.320 0.000 0.000 0.206 89 K C 1.917 178.448 176.600 -0.116 0.000 1.049 89 K CA 1.379 57.620 56.287 -0.078 0.000 0.933 89 K CB -0.358 32.103 32.500 -0.064 0.000 0.717 89 K HN 0.337 nan 8.250 nan 0.000 0.442 90 V N 2.005 121.845 119.914 -0.124 0.000 2.323 90 V HA -0.207 3.913 4.120 0.000 0.000 0.244 90 V C 2.255 178.208 176.094 -0.236 0.000 1.041 90 V CA 1.465 63.650 62.300 -0.192 0.000 1.025 90 V CB -0.410 31.346 31.823 -0.110 0.000 0.656 90 V HN 0.250 nan 8.190 nan 0.000 0.451 91 L N -0.032 121.135 121.223 -0.094 0.000 2.079 91 L HA -0.167 4.173 4.340 0.000 0.000 0.210 91 L C 2.487 179.329 176.870 -0.048 0.000 1.081 91 L CA 1.543 56.374 54.840 -0.015 0.000 0.752 91 L CB -0.692 41.341 42.059 -0.043 0.000 0.896 91 L HN 0.283 nan 8.230 nan 0.000 0.433 92 S N -0.708 114.943 115.700 -0.082 0.000 2.500 92 S HA -0.062 4.408 4.470 0.000 0.000 0.239 92 S C 1.922 176.468 174.600 -0.090 0.000 0.989 92 S CA 0.741 58.904 58.200 -0.061 0.000 0.951 92 S CB -0.141 63.028 63.200 -0.051 0.000 0.759 92 S HN 0.317 nan 8.310 nan 0.000 0.523 93 R N -0.450 119.934 120.500 -0.193 0.000 2.223 93 R HA 0.206 4.546 4.340 0.000 0.000 0.198 93 R C 0.961 177.140 176.300 -0.201 0.000 0.984 93 R CA 0.673 56.621 56.100 -0.254 0.000 1.018 93 R CB -0.357 29.701 30.300 -0.404 0.000 0.945 93 R HN 0.461 nan 8.270 nan 0.000 0.479 94 Y N -0.477 119.812 120.300 -0.018 0.000 2.464 94 Y HA 0.124 4.674 4.550 0.000 0.000 0.288 94 Y C 1.268 177.164 175.900 -0.006 0.000 1.133 94 Y CA -0.540 57.552 58.100 -0.014 0.000 1.223 94 Y CB -0.036 38.413 38.460 -0.018 0.000 1.187 94 Y HN -0.252 nan 8.280 nan 0.000 0.539 95 V N -2.509 117.497 119.914 0.153 0.000 3.096 95 V HA 0.518 4.638 4.120 0.000 0.000 0.319 95 V C -0.158 175.968 176.094 0.053 0.000 1.103 95 V CA -0.734 61.620 62.300 0.091 0.000 1.016 95 V CB 2.051 33.915 31.823 0.068 0.000 1.090 95 V HN -0.099 nan 8.190 nan 0.000 0.449 96 D N 0.962 121.390 120.400 0.047 0.000 2.379 96 D HA 0.614 5.254 4.640 0.000 0.000 0.208 96 D C 0.424 176.746 176.300 0.037 0.000 1.065 96 D CA 1.347 55.368 54.000 0.036 0.000 0.848 96 D CB 1.038 41.859 40.800 0.035 0.000 0.949 96 D HN 1.076 nan 8.370 nan 0.000 0.509 97 A N -0.146 122.697 122.820 0.039 0.000 2.608 97 A HA 0.664 4.984 4.320 0.000 0.000 0.292 97 A C -1.665 175.927 177.584 0.014 0.000 1.066 97 A CA -0.622 51.441 52.037 0.043 0.000 0.676 97 A CB 0.961 19.998 19.000 0.062 0.000 1.277 97 A HN 0.004 nan 8.150 nan 0.000 0.413 98 I N 1.206 121.782 120.570 0.011 0.000 2.410 98 I HA 0.427 4.597 4.170 0.000 0.000 0.286 98 I C -0.826 175.261 176.117 -0.049 0.000 1.009 98 I CA -0.796 60.477 61.300 -0.045 0.000 1.111 98 I CB 1.946 39.903 38.000 -0.072 0.000 1.262 98 I HN 0.328 nan 8.210 nan 0.000 0.443 99 V N 5.917 125.741 119.914 -0.151 0.000 2.370 99 V HA 0.365 4.485 4.120 0.000 0.000 0.279 99 V C -1.117 174.848 176.094 -0.214 0.000 1.029 99 V CA -0.366 61.760 62.300 -0.289 0.000 0.870 99 V CB 1.455 32.884 31.823 -0.657 0.000 0.984 99 V HN 0.638 nan 8.190 nan 0.000 0.451 100 W N 6.338 127.410 121.300 -0.379 0.000 2.968 100 W HA 0.481 5.141 4.660 0.000 0.000 0.337 100 W C -0.517 175.798 176.519 -0.340 0.000 1.060 100 W CA -1.225 55.908 57.345 -0.353 0.000 1.240 100 W CB 1.371 30.692 29.460 -0.230 0.000 1.370 100 W HN 0.333 nan 8.180 nan 0.000 0.459 101 R N 4.599 124.898 120.500 -0.335 0.000 2.287 101 R HA 0.366 4.706 4.340 0.000 0.000 0.327 101 R C -0.334 175.552 176.300 -0.690 0.000 1.109 101 R CA 0.386 56.232 56.100 -0.422 0.000 1.013 101 R CB 0.987 31.159 30.300 -0.214 0.000 1.126 101 R HN 0.636 nan 8.270 nan 0.000 0.503 102 T N 1.519 115.497 114.554 -0.961 0.000 2.633 102 T HA 0.508 4.858 4.350 0.000 0.000 0.262 102 T C 0.272 174.407 174.700 -0.942 0.000 0.920 102 T CA -0.349 61.022 62.100 -1.215 0.000 1.062 102 T CB 0.552 68.360 68.868 -1.768 0.000 1.390 102 T HN 0.237 nan 8.240 nan 0.000 0.549 103 F N 0.646 120.399 119.950 -0.328 0.000 2.464 103 F HA 0.557 5.084 4.527 0.000 0.000 0.223 103 F C 1.865 177.560 175.800 -0.174 0.000 1.089 103 F CA 0.023 57.908 58.000 -0.192 0.000 0.972 103 F CB -0.949 37.981 39.000 -0.117 0.000 1.155 103 F HN 0.630 nan 8.300 nan 0.000 0.665 104 G N -0.073 108.783 108.800 0.093 0.000 2.491 104 G HA2 0.201 4.161 3.960 0.000 0.000 0.242 104 G HA3 0.201 4.161 3.960 0.000 0.000 0.242 104 G C 0.371 175.252 174.900 -0.032 0.000 1.266 104 G CA -0.180 44.932 45.100 0.021 0.000 0.844 104 G HN 0.290 nan 8.290 nan 0.000 0.571 105 Q N 0.190 119.991 119.800 0.002 0.000 2.224 105 Q HA -0.127 4.213 4.340 0.000 0.000 0.203 105 Q C 2.485 178.491 176.000 0.011 0.000 0.970 105 Q CA 1.857 57.675 55.803 0.025 0.000 0.865 105 Q CB -0.001 28.806 28.738 0.116 0.000 0.922 105 Q HN 0.804 nan 8.270 nan 0.000 0.445 106 E N -0.214 119.997 120.200 0.019 0.000 2.338 106 E HA -0.206 4.144 4.350 0.000 0.000 0.197 106 E C 1.466 178.090 176.600 0.040 0.000 1.007 106 E CA 0.892 57.309 56.400 0.028 0.000 0.849 106 E CB -0.176 29.543 29.700 0.031 0.000 0.774 106 E HN 0.393 nan 8.360 nan 0.000 0.506 107 R N 0.239 120.750 120.500 0.020 0.000 2.073 107 R HA 0.125 4.465 4.340 0.000 0.000 0.229 107 R C 2.724 179.121 176.300 0.163 0.000 1.120 107 R CA 0.996 57.139 56.100 0.073 0.000 0.967 107 R CB -0.253 30.022 30.300 -0.043 0.000 0.862 107 R HN 0.154 nan 8.270 nan 0.000 0.436 108 L N 0.722 121.942 121.223 -0.005 0.000 2.017 108 L HA -0.206 4.134 4.340 0.000 0.000 0.208 108 L C 1.737 178.649 176.870 0.070 0.000 1.073 108 L CA 1.211 56.100 54.840 0.083 0.000 0.745 108 L CB -0.414 41.619 42.059 -0.043 0.000 0.894 108 L HN 0.138 nan 8.230 nan 0.000 0.432 109 D N 0.176 120.592 120.400 0.026 0.000 2.123 109 D HA -0.190 4.450 4.640 0.000 0.000 0.196 109 D C 2.219 178.523 176.300 0.008 0.000 0.992 109 D CA 1.528 55.529 54.000 0.001 0.000 0.833 109 D CB -0.148 40.657 40.800 0.009 0.000 0.954 109 D HN 0.338 nan 8.370 nan 0.000 0.455 110 A N 0.772 123.620 122.820 0.047 0.000 1.883 110 A HA -0.220 4.100 4.320 0.000 0.000 0.217 110 A C 2.219 179.816 177.584 0.023 0.000 1.186 110 A CA 2.179 54.243 52.037 0.045 0.000 0.624 110 A CB -0.650 18.395 19.000 0.075 0.000 0.822 110 A HN 0.231 nan 8.150 nan 0.000 0.444 111 M N 0.115 119.746 119.600 0.051 0.000 2.086 111 M HA -0.024 4.456 4.480 0.000 0.000 0.261 111 M C 2.133 178.383 176.300 -0.083 0.000 1.067 111 M CA 2.013 57.304 55.300 -0.014 0.000 1.116 111 M CB -0.457 32.157 32.600 0.023 0.000 1.348 111 M HN 0.350 nan 8.290 nan 0.000 0.407 112 A N -0.518 122.211 122.820 -0.152 0.000 2.024 112 A HA -0.161 4.159 4.320 0.000 0.000 0.220 112 A C 2.267 179.707 177.584 -0.240 0.000 1.164 112 A CA 2.101 53.875 52.037 -0.437 0.000 0.643 112 A CB -1.341 17.339 19.000 -0.532 0.000 0.806 112 A HN 0.755 nan 8.150 nan 0.000 0.451 113 S N -0.513 115.133 115.700 -0.091 0.000 2.428 113 S HA -0.048 4.422 4.470 0.000 0.000 0.230 113 S C 1.432 176.036 174.600 0.007 0.000 1.014 113 S CA 1.415 59.603 58.200 -0.019 0.000 0.957 113 S CB -0.518 62.678 63.200 -0.006 0.000 0.784 113 S HN 1.219 nan 8.310 nan 0.000 0.499 114 V N -2.568 117.343 119.914 -0.005 0.000 3.502 114 V HA 0.710 4.830 4.120 0.000 0.000 0.288 114 V C 0.603 176.702 176.094 0.009 0.000 1.461 114 V CA -0.217 62.085 62.300 0.004 0.000 1.029 114 V CB -0.447 31.371 31.823 -0.008 0.000 0.843 114 V HN 0.562 nan 8.190 nan 0.000 0.438 115 A N 1.521 124.349 122.820 0.014 0.000 2.371 115 A HA 0.537 4.857 4.320 0.000 0.000 0.257 115 A C 1.155 178.787 177.584 0.080 0.000 1.089 115 A CA 0.597 52.652 52.037 0.031 0.000 0.794 115 A CB 0.425 19.442 19.000 0.029 0.000 1.029 115 A HN 0.894 nan 8.150 nan 0.000 0.488 116 T N -1.122 113.459 114.554 0.045 0.000 3.206 116 T HA 0.397 4.747 4.350 0.000 0.000 0.253 116 T C 0.223 174.944 174.700 0.035 0.000 1.042 116 T CA 0.422 62.543 62.100 0.036 0.000 0.931 116 T CB -1.441 67.430 68.868 0.004 0.000 1.029 116 T HN 1.408 nan 8.240 nan 0.000 0.564 117 V N -3.526 116.431 119.914 0.071 0.000 3.130 117 V HA 0.754 4.874 4.120 0.000 0.000 0.310 117 V C -3.294 172.874 176.094 0.122 0.000 1.158 117 V CA -3.467 58.867 62.300 0.057 0.000 1.029 117 V CB 1.621 33.469 31.823 0.041 0.000 1.057 117 V HN -0.192 nan 8.190 nan 0.000 0.436 118 P HA 0.244 nan 4.420 nan 0.000 0.264 118 P C -0.657 176.814 177.300 0.284 0.000 1.193 118 P CA 0.220 63.405 63.100 0.142 0.000 0.763 118 P CB 0.653 32.409 31.700 0.093 0.000 0.810 119 V N 5.728 125.966 119.914 0.540 0.000 2.435 119 V HA 0.392 4.512 4.120 0.000 0.000 0.290 119 V C 0.394 176.638 176.094 0.251 0.000 1.030 119 V CA -0.352 62.103 62.300 0.259 0.000 0.881 119 V CB 1.322 33.182 31.823 0.062 0.000 0.983 119 V HN 0.371 nan 8.190 nan 0.000 0.445 120 I N 3.814 124.487 120.570 0.172 0.000 2.465 120 I HA 0.376 4.546 4.170 0.000 0.000 0.291 120 I C -0.054 176.124 176.117 0.102 0.000 1.014 120 I CA -0.475 60.939 61.300 0.191 0.000 1.093 120 I CB 1.923 40.036 38.000 0.188 0.000 1.267 120 I HN 0.527 nan 8.210 nan 0.000 0.431 121 N N 4.992 123.743 118.700 0.085 0.000 2.482 121 N HA 0.269 5.009 4.740 0.000 0.000 0.242 121 N C 0.627 176.165 175.510 0.047 0.000 1.100 121 N CA -0.045 53.001 53.050 -0.007 0.000 0.946 121 N CB 1.366 39.804 38.487 -0.082 0.000 1.227 121 N HN 0.742 nan 8.380 nan 0.000 0.508 122 A N 3.705 126.509 122.820 -0.026 0.000 2.119 122 A HA 0.220 4.540 4.320 0.000 0.000 0.217 122 A C 0.559 178.135 177.584 -0.014 0.000 1.153 122 A CA 0.510 52.576 52.037 0.048 0.000 0.692 122 A CB -0.117 18.778 19.000 -0.174 0.000 0.799 122 A HN 0.681 nan 8.150 nan 0.000 0.458 123 L N -1.238 119.884 121.223 -0.168 0.000 4.834 123 L HA 0.262 4.602 4.340 0.000 0.000 0.241 123 L C -0.957 175.752 176.870 -0.268 0.000 1.063 123 L CA 0.090 54.720 54.840 -0.350 0.000 0.963 123 L CB 1.046 42.866 42.059 -0.398 0.000 1.648 123 L HN 0.339 nan 8.230 nan 0.000 0.392 124 S N 0.964 116.541 115.700 -0.206 0.000 2.656 124 S HA 0.519 4.989 4.470 0.000 0.000 0.273 124 S C -0.109 174.431 174.600 -0.099 0.000 1.168 124 S CA -0.582 57.515 58.200 -0.172 0.000 0.817 124 S CB 1.877 65.004 63.200 -0.122 0.000 1.146 124 S HN 0.628 nan 8.310 nan 0.000 0.475 125 D N 1.020 121.389 120.400 -0.052 0.000 2.097 125 D HA -0.069 4.571 4.640 0.000 0.000 0.195 125 D C 1.856 178.078 176.300 -0.129 0.000 0.989 125 D CA 1.843 55.823 54.000 -0.034 0.000 0.827 125 D CB -0.032 40.777 40.800 0.015 0.000 0.966 125 D HN 0.720 nan 8.370 nan 0.000 0.456 126 E N -0.543 119.539 120.200 -0.197 0.000 2.086 126 E HA -0.026 4.324 4.350 0.000 0.000 0.190 126 E C 0.379 176.569 176.600 -0.684 0.000 0.975 126 E CA 0.548 56.668 56.400 -0.467 0.000 0.813 126 E CB -0.006 29.293 29.700 -0.667 0.000 0.768 126 E HN 0.262 nan 8.360 nan 0.000 0.457 127 F N -0.254 119.701 119.950 0.009 0.000 2.577 127 F HA 0.387 4.914 4.527 0.000 0.000 0.318 127 F C 0.332 176.132 175.800 0.000 0.000 1.065 127 F CA -1.098 56.904 58.000 0.003 0.000 0.929 127 F CB 1.417 40.392 39.000 -0.040 0.000 1.237 127 F HN -0.097 nan 8.300 nan 0.000 0.468 128 H N 3.490 122.635 119.070 0.124 0.000 2.336 128 H HA 0.346 4.902 4.556 0.000 0.000 0.230 128 H C -2.249 173.120 175.328 0.069 0.000 1.426 128 H CA -3.075 53.014 56.048 0.068 0.000 1.359 128 H CB 0.725 30.504 29.762 0.028 0.000 1.555 128 H HN 0.205 nan 8.280 nan 0.000 0.512 129 P HA -0.060 nan 4.420 nan 0.000 0.222 129 P C 1.405 178.864 177.300 0.264 0.000 1.153 129 P CA 0.509 63.672 63.100 0.105 0.000 0.798 129 P CB 0.313 31.842 31.700 -0.285 0.000 0.796 130 C N -0.465 119.053 119.300 0.364 0.000 2.440 130 C HA -0.087 4.373 4.460 0.000 0.000 0.278 130 C C 2.933 177.986 174.990 0.105 0.000 1.295 130 C CA 1.091 60.308 59.018 0.332 0.000 1.738 130 C CB -1.768 26.226 27.740 0.424 0.000 1.987 130 C HN 0.235 nan 8.230 nan 0.000 0.492 131 Q N 0.897 120.639 119.800 -0.097 0.000 2.119 131 Q HA -0.113 4.227 4.340 0.000 0.000 0.201 131 Q C 2.012 177.925 176.000 -0.146 0.000 0.972 131 Q CA 1.825 57.444 55.803 -0.306 0.000 0.847 131 Q CB -0.298 27.927 28.738 -0.854 0.000 0.903 131 Q HN 0.465 nan 8.270 nan 0.000 0.433 132 V N 0.404 120.269 119.914 -0.082 0.000 2.515 132 V HA -0.219 3.901 4.120 0.000 0.000 0.250 132 V C 2.217 178.308 176.094 -0.006 0.000 1.058 132 V CA 1.392 63.671 62.300 -0.035 0.000 1.064 132 V CB -0.507 31.311 31.823 -0.008 0.000 0.675 132 V HN 0.390 nan 8.190 nan 0.000 0.461 133 L N 0.098 121.338 121.223 0.028 0.000 2.012 133 L HA -0.193 4.147 4.340 0.000 0.000 0.210 133 L C 2.751 179.610 176.870 -0.019 0.000 1.073 133 L CA 1.732 56.574 54.840 0.003 0.000 0.748 133 L CB -0.813 41.245 42.059 -0.001 0.000 0.891 133 L HN 0.379 nan 8.230 nan 0.000 0.431 134 A N -0.178 122.629 122.820 -0.022 0.000 1.902 134 A HA -0.228 4.092 4.320 0.000 0.000 0.217 134 A C 1.897 179.468 177.584 -0.021 0.000 1.181 134 A CA 1.946 53.970 52.037 -0.023 0.000 0.623 134 A CB -0.508 18.472 19.000 -0.035 0.000 0.818 134 A HN 0.363 nan 8.150 nan 0.000 0.443 135 D N 0.218 120.598 120.400 -0.033 0.000 2.092 135 D HA -0.143 4.497 4.640 0.000 0.000 0.193 135 D C 1.959 178.249 176.300 -0.018 0.000 0.994 135 D CA 1.257 55.240 54.000 -0.027 0.000 0.828 135 D CB -0.466 40.313 40.800 -0.035 0.000 0.963 135 D HN 0.451 nan 8.370 nan 0.000 0.450 136 L N 0.455 121.666 121.223 -0.019 0.000 2.012 136 L HA -0.224 4.116 4.340 0.000 0.000 0.210 136 L C 2.684 179.543 176.870 -0.018 0.000 1.073 136 L CA 1.251 56.079 54.840 -0.019 0.000 0.748 136 L CB -0.503 41.541 42.059 -0.025 0.000 0.891 136 L HN 0.068 nan 8.230 nan 0.000 0.431 137 Q N -0.552 119.237 119.800 -0.018 0.000 2.112 137 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 137 Q C 2.183 178.179 176.000 -0.007 0.000 0.987 137 Q CA 2.519 58.314 55.803 -0.013 0.000 0.858 137 Q CB -0.168 28.568 28.738 -0.003 0.000 0.905 137 Q HN 0.411 nan 8.270 nan 0.000 0.420 138 T N -0.577 113.975 114.554 -0.003 0.000 2.942 138 T HA -0.023 4.327 4.350 0.000 0.000 0.265 138 T C 1.738 176.435 174.700 -0.004 0.000 1.062 138 T CA 1.046 63.145 62.100 -0.001 0.000 1.139 138 T CB -0.186 68.682 68.868 0.001 0.000 0.883 138 T HN 0.380 nan 8.240 nan 0.000 0.468 139 I N 1.544 122.111 120.570 -0.006 0.000 2.179 139 I HA -0.069 4.101 4.170 0.000 0.000 0.242 139 I C 3.047 179.162 176.117 -0.004 0.000 1.088 139 I CA 1.186 62.484 61.300 -0.002 0.000 1.357 139 I CB -0.591 37.409 38.000 0.000 0.000 1.051 139 I HN 0.299 nan 8.210 nan 0.000 0.409 140 A N 1.431 124.246 122.820 -0.008 0.000 1.883 140 A HA -0.267 4.053 4.320 0.000 0.000 0.217 140 A C 2.251 179.829 177.584 -0.009 0.000 1.186 140 A CA 2.191 54.222 52.037 -0.010 0.000 0.624 140 A CB -0.857 18.134 19.000 -0.016 0.000 0.822 140 A HN 0.659 nan 8.150 nan 0.000 0.444 141 E N -1.250 118.944 120.200 -0.010 0.000 2.204 141 E HA -0.180 4.170 4.350 0.000 0.000 0.194 141 E C 1.938 178.534 176.600 -0.006 0.000 0.989 141 E CA 0.708 57.102 56.400 -0.010 0.000 0.824 141 E CB -0.230 29.462 29.700 -0.014 0.000 0.756 141 E HN 0.365 nan 8.360 nan 0.000 0.477 142 R N 1.129 121.627 120.500 -0.003 0.000 2.062 142 R HA 0.072 4.412 4.340 0.000 0.000 0.226 142 R C 1.700 178.001 176.300 0.001 0.000 1.125 142 R CA 1.131 57.230 56.100 -0.000 0.000 0.966 142 R CB -0.051 30.249 30.300 -0.000 0.000 0.861 142 R HN 0.238 nan 8.270 nan 0.000 0.433 143 K N -0.478 119.923 120.400 0.001 0.000 2.402 143 K HA 0.248 4.568 4.320 0.000 0.000 0.204 143 K C 0.851 177.453 176.600 0.003 0.000 1.056 143 K CA 0.519 56.808 56.287 0.004 0.000 1.069 143 K CB 1.444 33.949 32.500 0.008 0.000 0.888 143 K HN 0.237 nan 8.250 nan 0.000 0.546 144 G N 2.383 111.182 108.800 -0.000 0.000 2.509 144 G HA2 -0.346 3.614 3.960 0.000 0.000 0.259 144 G HA3 -0.346 3.614 3.960 0.000 0.000 0.259 144 G C -0.087 174.811 174.900 -0.002 0.000 1.169 144 G CA -0.270 44.829 45.100 -0.002 0.000 0.953 144 G HN 0.447 nan 8.290 nan 0.000 0.563 145 A N -0.558 122.262 122.820 -0.001 0.000 2.565 145 A HA 0.460 4.780 4.320 0.000 0.000 0.237 145 A C 1.482 179.065 177.584 -0.001 0.000 1.053 145 A CA 0.985 53.021 52.037 -0.002 0.000 0.755 145 A CB 0.266 19.266 19.000 0.001 0.000 0.980 145 A HN 1.379 nan 8.150 nan 0.000 0.506 146 L N 1.903 123.122 121.223 -0.007 0.000 2.162 146 L HA 0.086 4.426 4.340 0.000 0.000 0.205 146 L C 1.738 178.603 176.870 -0.010 0.000 1.086 146 L CA 1.098 55.932 54.840 -0.009 0.000 0.778 146 L CB -1.007 41.040 42.059 -0.019 0.000 0.928 146 L HN 0.722 nan 8.230 nan 0.000 0.446 147 R N 0.246 120.737 120.500 -0.015 0.000 2.504 147 R HA 0.050 4.390 4.340 0.000 0.000 0.302 147 R C 1.166 177.470 176.300 0.006 0.000 0.893 147 R CA 1.068 57.157 56.100 -0.019 0.000 1.138 147 R CB -0.416 29.878 30.300 -0.010 0.000 0.880 147 R HN 0.525 nan 8.270 nan 0.000 0.415 148 G N 2.604 111.402 108.800 -0.004 0.000 2.176 148 G HA2 -0.292 3.668 3.960 0.000 0.000 0.253 148 G HA3 -0.292 3.668 3.960 0.000 0.000 0.253 148 G C 0.260 175.273 174.900 0.189 0.000 0.979 148 G CA -0.097 45.071 45.100 0.114 0.000 0.641 148 G HN 0.472 nan 8.290 nan 0.000 0.530 149 L N 0.516 121.803 121.223 0.105 0.000 2.436 149 L HA 0.511 4.851 4.340 0.000 0.000 0.265 149 L C 1.138 178.099 176.870 0.152 0.000 1.168 149 L CA -0.512 54.390 54.840 0.104 0.000 0.815 149 L CB 0.503 42.595 42.059 0.054 0.000 1.109 149 L HN 0.118 nan 8.230 nan 0.000 0.462 150 R N 2.992 123.564 120.500 0.121 0.000 2.338 150 R HA 0.595 4.935 4.340 0.000 0.000 0.317 150 R C -1.068 175.285 176.300 0.088 0.000 0.968 150 R CA -0.701 55.470 56.100 0.120 0.000 0.849 150 R CB 1.738 32.086 30.300 0.080 0.000 1.128 150 R HN 0.455 nan 8.270 nan 0.000 0.448 151 L N 1.178 122.451 121.223 0.082 0.000 2.385 151 L HA 0.500 4.840 4.340 0.000 0.000 0.273 151 L C -1.035 175.870 176.870 0.058 0.000 0.990 151 L CA -0.328 54.556 54.840 0.073 0.000 0.821 151 L CB 2.291 44.384 42.059 0.058 0.000 1.279 151 L HN 0.547 nan 8.230 nan 0.000 0.412 152 S N 3.255 118.995 115.700 0.065 0.000 2.502 152 S HA 0.453 4.923 4.470 0.000 0.000 0.304 152 S C -1.458 173.103 174.600 -0.066 0.000 1.097 152 S CA -0.342 57.818 58.200 -0.066 0.000 1.045 152 S CB 1.319 64.428 63.200 -0.153 0.000 1.019 152 S HN 0.526 nan 8.310 nan 0.000 0.481 153 Y N 2.957 123.075 120.300 -0.305 0.000 2.342 153 Y HA 0.700 5.250 4.550 0.000 0.000 0.334 153 Y C -1.620 174.026 175.900 -0.423 0.000 1.067 153 Y CA -1.203 56.776 58.100 -0.203 0.000 1.128 153 Y CB 0.563 38.950 38.460 -0.121 0.000 1.200 153 Y HN 0.553 nan 8.280 nan 0.000 0.464 154 F N 4.142 123.640 119.950 -0.753 0.000 2.520 154 F HA 0.740 5.267 4.527 0.000 0.000 0.322 154 F C 0.679 176.005 175.800 -0.792 0.000 1.103 154 F CA 0.089 57.773 58.000 -0.528 0.000 0.926 154 F CB 1.936 40.854 39.000 -0.136 0.000 1.154 154 F HN 0.824 nan 8.300 nan 0.000 0.453 155 G N 1.929 110.493 108.800 -0.394 0.000 2.301 155 G HA2 -0.091 3.869 3.960 0.000 0.000 0.194 155 G HA3 -0.091 3.869 3.960 0.000 0.000 0.194 155 G C -1.524 173.103 174.900 -0.455 0.000 1.266 155 G CA -0.931 43.934 45.100 -0.393 0.000 1.210 155 G HN 0.632 nan 8.290 nan 0.000 0.524 156 D N 1.621 121.734 120.400 -0.479 0.000 2.339 156 D HA 0.478 5.118 4.640 0.000 0.000 0.256 156 D C 1.510 177.835 176.300 0.042 0.000 1.214 156 D CA 0.974 54.803 54.000 -0.285 0.000 0.877 156 D CB 0.741 41.310 40.800 -0.384 0.000 1.111 156 D HN 0.895 nan 8.370 nan 0.000 0.478 157 G N 2.629 111.487 108.800 0.096 0.000 2.813 157 G HA2 0.094 4.054 3.960 0.000 0.000 0.209 157 G HA3 0.094 4.054 3.960 0.000 0.000 0.209 157 G C 1.016 175.948 174.900 0.054 0.000 1.150 157 G CA 0.461 45.636 45.100 0.125 0.000 0.785 157 G HN 0.551 nan 8.290 nan 0.000 0.535 158 A N 0.583 123.421 122.820 0.030 0.000 2.308 158 A HA 0.222 4.542 4.320 0.000 0.000 0.217 158 A C 1.295 178.675 177.584 -0.340 0.000 1.216 158 A CA -0.012 51.996 52.037 -0.049 0.000 0.864 158 A CB -0.181 18.882 19.000 0.104 0.000 0.902 158 A HN 0.443 nan 8.150 nan 0.000 0.499 159 N N 0.644 119.164 118.700 -0.299 0.000 2.364 159 N HA -0.000 4.740 4.740 0.000 0.000 0.264 159 N C 0.448 175.656 175.510 -0.504 0.000 1.263 159 N CA 0.322 53.178 53.050 -0.323 0.000 0.959 159 N CB 0.065 38.462 38.487 -0.150 0.000 1.204 159 N HN 0.150 nan 8.380 nan 0.000 0.550 160 N N 0.157 118.666 118.700 -0.318 0.000 2.188 160 N HA -0.143 4.597 4.740 0.000 0.000 0.184 160 N C 1.339 176.754 175.510 -0.157 0.000 1.018 160 N CA 1.400 54.303 53.050 -0.245 0.000 0.858 160 N CB -0.447 37.978 38.487 -0.102 0.000 0.989 160 N HN 0.389 nan 8.380 nan 0.000 0.426 161 M N 0.583 120.076 119.600 -0.178 0.000 2.213 161 M HA 0.124 4.604 4.480 0.000 0.000 0.263 161 M C 2.068 178.064 176.300 -0.507 0.000 1.062 161 M CA 1.079 56.218 55.300 -0.268 0.000 1.105 161 M CB -1.346 31.090 32.600 -0.273 0.000 1.385 161 M HN 0.405 nan 8.290 nan 0.000 0.417 162 A N -0.595 121.856 122.820 -0.614 0.000 1.841 162 A HA -0.174 4.146 4.320 0.000 0.000 0.214 162 A C 1.924 179.399 177.584 -0.181 0.000 1.195 162 A CA 1.520 53.204 52.037 -0.589 0.000 0.611 162 A CB -0.958 17.832 19.000 -0.349 0.000 0.835 162 A HN 0.436 nan 8.150 nan 0.000 0.443 163 H N 0.240 119.216 119.070 -0.155 0.000 2.289 163 H HA -0.110 4.446 4.556 0.000 0.000 0.294 163 H C 2.515 177.871 175.328 0.045 0.000 1.095 163 H CA 1.754 57.779 56.048 -0.038 0.000 1.256 163 H CB -0.866 28.829 29.762 -0.111 0.000 1.359 163 H HN 0.426 nan 8.280 nan 0.000 0.487 164 S N -0.106 115.695 115.700 0.169 0.000 2.428 164 S HA -0.003 4.467 4.470 0.000 0.000 0.230 164 S C 2.381 176.993 174.600 0.020 0.000 1.014 164 S CA 0.359 58.639 58.200 0.132 0.000 0.957 164 S CB -0.095 63.180 63.200 0.126 0.000 0.784 164 S HN 0.195 nan 8.310 nan 0.000 0.499 165 L N 0.747 121.934 121.223 -0.059 0.000 2.156 165 L HA 0.001 4.341 4.340 0.000 0.000 0.208 165 L C 1.972 178.823 176.870 -0.031 0.000 1.095 165 L CA 0.673 55.470 54.840 -0.072 0.000 0.770 165 L CB -0.353 41.617 42.059 -0.149 0.000 0.914 165 L HN 0.292 nan 8.230 nan 0.000 0.439 166 L N -0.853 120.362 121.223 -0.013 0.000 1.988 166 L HA -0.234 4.106 4.340 0.000 0.000 0.207 166 L C 2.394 179.268 176.870 0.007 0.000 1.071 166 L CA 1.394 56.238 54.840 0.008 0.000 0.744 166 L CB -0.523 41.554 42.059 0.031 0.000 0.893 166 L HN 0.192 nan 8.230 nan 0.000 0.433 167 L N -0.676 120.560 121.223 0.022 0.000 2.027 167 L HA -0.089 4.251 4.340 0.000 0.000 0.206 167 L C 2.668 179.531 176.870 -0.011 0.000 1.074 167 L CA 1.384 56.224 54.840 0.001 0.000 0.745 167 L CB -1.094 40.962 42.059 -0.006 0.000 0.898 167 L HN 0.329 nan 8.230 nan 0.000 0.433 168 G N -0.475 108.324 108.800 -0.002 0.000 2.402 168 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 168 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 168 G C 1.586 176.479 174.900 -0.013 0.000 1.162 168 G CA 0.696 45.796 45.100 0.001 0.000 0.777 168 G HN 0.475 nan 8.290 nan 0.000 0.539 169 G N 0.685 109.476 108.800 -0.015 0.000 2.421 169 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 169 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 169 G C 1.957 176.835 174.900 -0.037 0.000 1.171 169 G CA 2.172 47.259 45.100 -0.022 0.000 0.775 169 G HN 0.841 nan 8.290 nan 0.000 0.543 170 V N -1.706 118.186 119.914 -0.037 0.000 2.667 170 V HA -0.030 4.090 4.120 0.000 0.000 0.252 170 V C 2.551 178.613 176.094 -0.054 0.000 1.065 170 V CA 2.343 64.610 62.300 -0.055 0.000 1.083 170 V CB -1.040 30.758 31.823 -0.043 0.000 0.692 170 V HN 0.220 nan 8.190 nan 0.000 0.468 171 T N 1.553 116.083 114.554 -0.040 0.000 2.746 171 T HA -0.039 4.311 4.350 0.000 0.000 0.267 171 T C 2.048 176.721 174.700 -0.046 0.000 1.039 171 T CA 2.041 64.117 62.100 -0.039 0.000 1.142 171 T CB -0.514 68.336 68.868 -0.030 0.000 0.866 171 T HN 0.761 nan 8.240 nan 0.000 0.444 172 A N 0.254 123.046 122.820 -0.046 0.000 2.119 172 A HA 0.435 4.755 4.320 0.000 0.000 0.217 172 A C 1.846 179.397 177.584 -0.056 0.000 1.153 172 A CA 1.158 53.166 52.037 -0.048 0.000 0.692 172 A CB -0.622 18.354 19.000 -0.040 0.000 0.799 172 A HN 0.832 nan 8.150 nan 0.000 0.458 173 G N -1.326 107.428 108.800 -0.076 0.000 2.145 173 G HA2 -0.135 3.825 3.960 0.000 0.000 0.176 173 G HA3 -0.135 3.825 3.960 0.000 0.000 0.176 173 G C -0.114 174.683 174.900 -0.171 0.000 1.013 173 G CA -0.015 45.019 45.100 -0.111 0.000 0.689 173 G HN 0.385 nan 8.290 nan 0.000 0.506 174 I N 0.784 121.265 120.570 -0.149 0.000 2.412 174 I HA 0.332 4.502 4.170 0.000 0.000 0.296 174 I C 0.330 176.347 176.117 -0.167 0.000 0.987 174 I CA -1.159 60.066 61.300 -0.125 0.000 1.180 174 I CB 1.129 39.106 38.000 -0.039 0.000 1.340 174 I HN 0.093 nan 8.210 nan 0.000 0.455 175 H N 4.643 123.718 119.070 0.007 0.000 3.089 175 H HA 0.218 4.774 4.556 0.000 0.000 0.262 175 H C -0.480 174.853 175.328 0.008 0.000 1.160 175 H CA -0.161 55.892 56.048 0.008 0.000 1.482 175 H CB 0.244 30.012 29.762 0.010 0.000 1.511 175 H HN 0.196 nan 8.280 nan 0.000 0.483 176 V N 4.167 124.129 119.914 0.080 0.000 2.439 176 V HA 0.249 4.369 4.120 0.000 0.000 0.282 176 V C 0.455 176.575 176.094 0.043 0.000 1.039 176 V CA -0.502 61.827 62.300 0.048 0.000 0.913 176 V CB 1.577 33.412 31.823 0.020 0.000 0.983 176 V HN 0.749 nan 8.190 nan 0.000 0.460 177 T N 3.946 118.512 114.554 0.019 0.000 2.812 177 T HA 0.507 4.857 4.350 0.000 0.000 0.282 177 T C -0.426 174.245 174.700 -0.048 0.000 0.990 177 T CA -0.442 61.650 62.100 -0.014 0.000 0.960 177 T CB 1.644 70.491 68.868 -0.036 0.000 0.948 177 T HN 0.322 nan 8.240 nan 0.000 0.438 178 V N 2.825 122.724 119.914 -0.025 0.000 2.383 178 V HA 0.636 4.756 4.120 0.000 0.000 0.275 178 V C 0.383 176.411 176.094 -0.110 0.000 1.036 178 V CA -0.836 61.452 62.300 -0.021 0.000 0.889 178 V CB 1.044 32.904 31.823 0.063 0.000 0.985 178 V HN 1.080 nan 8.190 nan 0.000 0.459 179 A N 4.810 127.467 122.820 -0.272 0.000 2.341 179 A HA 0.843 5.163 4.320 0.000 0.000 0.326 179 A C 0.188 177.520 177.584 -0.420 0.000 1.402 179 A CA -0.081 51.818 52.037 -0.231 0.000 0.957 179 A CB 0.262 19.103 19.000 -0.264 0.000 1.151 179 A HN 1.237 nan 8.150 nan 0.000 0.533 180 A N 4.470 127.071 122.820 -0.365 0.000 2.449 180 A HA 0.941 5.261 4.320 0.000 0.000 0.302 180 A C -3.061 174.364 177.584 -0.265 0.000 1.048 180 A CA -1.598 50.174 52.037 -0.442 0.000 0.708 180 A CB 1.609 20.548 19.000 -0.102 0.000 1.274 180 A HN 0.534 nan 8.150 nan 0.000 0.410 181 P HA 0.312 nan 4.420 nan 0.000 0.281 181 P C 0.307 177.688 177.300 0.134 0.000 1.281 181 P CA 0.047 63.244 63.100 0.162 0.000 0.811 181 P CB 0.611 32.496 31.700 0.308 0.000 1.154 182 E N -0.089 120.158 120.200 0.078 0.000 3.538 182 E HA -0.257 4.093 4.350 0.000 0.000 0.425 182 E C 1.064 177.596 176.600 -0.114 0.000 1.612 182 E CA 2.372 58.748 56.400 -0.041 0.000 1.581 182 E CB -1.721 27.911 29.700 -0.113 0.000 1.518 182 E HN 0.782 nan 8.360 nan 0.000 0.424 183 G N -0.039 108.565 108.800 -0.327 0.000 4.420 183 G HA2 0.426 4.386 3.960 0.000 0.000 0.299 183 G HA3 0.426 4.386 3.960 0.000 0.000 0.299 183 G C -0.362 174.197 174.900 -0.568 0.000 1.343 183 G CA -0.280 44.592 45.100 -0.380 0.000 1.272 183 G HN 0.079 nan 8.290 nan 0.000 0.610 184 F N 0.805 120.762 119.950 0.011 0.000 2.679 184 F HA 0.424 4.952 4.527 0.000 0.000 0.354 184 F C 0.518 176.334 175.800 0.027 0.000 1.423 184 F CA -1.080 56.945 58.000 0.042 0.000 1.141 184 F CB 0.490 39.560 39.000 0.116 0.000 1.168 184 F HN -0.028 nan 8.300 nan 0.000 0.530 185 L N 2.085 123.385 121.223 0.129 0.000 2.418 185 L HA 0.362 4.702 4.340 0.000 0.000 0.265 185 L C -1.854 175.088 176.870 0.120 0.000 1.143 185 L CA -1.787 53.110 54.840 0.096 0.000 0.809 185 L CB 0.727 42.816 42.059 0.049 0.000 1.124 185 L HN 0.023 nan 8.230 nan 0.000 0.456 186 P HA -0.066 nan 4.420 nan 0.000 0.267 186 P C -0.984 176.407 177.300 0.151 0.000 1.201 186 P CA -0.180 63.035 63.100 0.192 0.000 0.775 186 P CB 0.355 32.140 31.700 0.142 0.000 0.854 187 D N 2.567 123.080 120.400 0.189 0.000 2.458 187 D HA 0.001 4.641 4.640 0.000 0.000 0.243 187 D C -1.420 174.855 176.300 -0.042 0.000 1.146 187 D CA -1.145 52.862 54.000 0.010 0.000 0.877 187 D CB 0.272 40.987 40.800 -0.140 0.000 1.176 187 D HN 0.169 nan 8.370 nan 0.000 0.461 188 P HA -0.172 nan 4.420 nan 0.000 0.215 188 P C 1.209 178.491 177.300 -0.029 0.000 1.153 188 P CA 1.423 64.513 63.100 -0.016 0.000 0.853 188 P CB -0.008 31.686 31.700 -0.009 0.000 0.788 189 S N -1.361 114.315 115.700 -0.040 0.000 2.406 189 S HA -0.078 4.392 4.470 0.000 0.000 0.228 189 S C 1.997 176.569 174.600 -0.046 0.000 1.020 189 S CA 1.050 59.230 58.200 -0.033 0.000 0.965 189 S CB -1.615 61.572 63.200 -0.022 0.000 0.798 189 S HN -0.060 nan 8.310 nan 0.000 0.488 190 V N 2.470 122.323 119.914 -0.102 0.000 2.407 190 V HA -0.124 3.996 4.120 0.000 0.000 0.248 190 V C 2.918 178.972 176.094 -0.068 0.000 1.055 190 V CA 2.163 64.389 62.300 -0.124 0.000 1.049 190 V CB -0.892 30.674 31.823 -0.427 0.000 0.662 190 V HN 0.567 nan 8.190 nan 0.000 0.455 191 R N 0.343 120.810 120.500 -0.056 0.000 2.092 191 R HA -0.129 4.211 4.340 0.000 0.000 0.231 191 R C 2.270 178.565 176.300 -0.009 0.000 1.119 191 R CA 1.589 57.681 56.100 -0.014 0.000 0.970 191 R CB -0.428 29.873 30.300 0.001 0.000 0.864 191 R HN 0.463 nan 8.270 nan 0.000 0.440 192 A N 0.757 123.569 122.820 -0.013 0.000 1.877 192 A HA -0.082 4.238 4.320 0.000 0.000 0.216 192 A C 2.357 179.936 177.584 -0.008 0.000 1.186 192 A CA 1.667 53.699 52.037 -0.008 0.000 0.620 192 A CB -0.816 18.178 19.000 -0.009 0.000 0.822 192 A HN 0.537 nan 8.150 nan 0.000 0.443 193 A N -0.439 122.374 122.820 -0.012 0.000 1.968 193 A HA 0.274 4.594 4.320 0.000 0.000 0.217 193 A C 2.414 179.990 177.584 -0.013 0.000 1.169 193 A CA 1.707 53.736 52.037 -0.014 0.000 0.638 193 A CB -0.790 18.199 19.000 -0.018 0.000 0.812 193 A HN 0.982 nan 8.150 nan 0.000 0.446 194 A N -0.102 122.713 122.820 -0.008 0.000 1.930 194 A HA -0.133 4.187 4.320 0.000 0.000 0.217 194 A C 1.897 179.479 177.584 -0.004 0.000 1.175 194 A CA 1.612 53.646 52.037 -0.004 0.000 0.627 194 A CB -0.406 18.597 19.000 0.005 0.000 0.815 194 A HN 0.606 nan 8.150 nan 0.000 0.443 195 E N -1.010 119.190 120.200 -0.001 0.000 2.107 195 E HA -0.170 4.180 4.350 0.000 0.000 0.191 195 E C 2.292 178.892 176.600 -0.000 0.000 0.982 195 E CA 1.006 57.408 56.400 0.003 0.000 0.809 195 E CB -0.066 29.637 29.700 0.006 0.000 0.756 195 E HN 0.417 nan 8.360 nan 0.000 0.459 196 R N 1.298 121.796 120.500 -0.003 0.000 2.066 196 R HA -0.107 4.233 4.340 0.000 0.000 0.232 196 R C 2.091 178.386 176.300 -0.008 0.000 1.131 196 R CA 1.565 57.662 56.100 -0.004 0.000 0.955 196 R CB -0.326 29.971 30.300 -0.005 0.000 0.851 196 R HN -0.086 nan 8.270 nan 0.000 0.432 197 R N 0.341 120.834 120.500 -0.012 0.000 2.120 197 R HA 0.067 4.407 4.340 0.000 0.000 0.234 197 R C 1.837 178.124 176.300 -0.021 0.000 1.123 197 R CA 1.809 57.899 56.100 -0.017 0.000 0.975 197 R CB -0.860 29.427 30.300 -0.022 0.000 0.866 197 R HN 0.319 nan 8.270 nan 0.000 0.446 198 A N -0.073 122.735 122.820 -0.020 0.000 1.968 198 A HA -0.122 4.198 4.320 0.000 0.000 0.217 198 A C 1.998 179.571 177.584 -0.019 0.000 1.169 198 A CA 1.230 53.251 52.037 -0.027 0.000 0.638 198 A CB -0.330 18.659 19.000 -0.019 0.000 0.812 198 A HN 0.504 nan 8.150 nan 0.000 0.446 199 Q N -0.238 119.557 119.800 -0.007 0.000 2.167 199 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 199 Q C 1.239 177.236 176.000 -0.005 0.000 0.970 199 Q CA 1.409 57.211 55.803 -0.002 0.000 0.855 199 Q CB -0.126 28.614 28.738 0.003 0.000 0.911 199 Q HN 0.590 nan 8.270 nan 0.000 0.438 200 D N -0.211 120.183 120.400 -0.010 0.000 2.097 200 D HA -0.117 4.523 4.640 0.000 0.000 0.197 200 D C 1.914 178.205 176.300 -0.016 0.000 0.984 200 D CA 1.932 55.926 54.000 -0.010 0.000 0.826 200 D CB -0.335 40.459 40.800 -0.010 0.000 0.973 200 D HN 0.358 nan 8.370 nan 0.000 0.460 201 T N -3.240 111.298 114.554 -0.027 0.000 3.081 201 T HA 0.338 4.688 4.350 0.000 0.000 0.250 201 T C 1.572 176.245 174.700 -0.044 0.000 1.100 201 T CA 0.493 62.571 62.100 -0.037 0.000 1.038 201 T CB 0.332 69.169 68.868 -0.051 0.000 0.962 201 T HN 0.235 nan 8.240 nan 0.000 0.516 202 G N 1.020 109.799 108.800 -0.034 0.000 2.176 202 G HA2 0.018 3.978 3.960 0.000 0.000 0.252 202 G HA3 0.018 3.978 3.960 0.000 0.000 0.252 202 G C 0.262 175.129 174.900 -0.056 0.000 1.024 202 G CA 0.021 45.108 45.100 -0.022 0.000 0.755 202 G HN 1.079 nan 8.290 nan 0.000 0.507 203 A N -0.817 121.937 122.820 -0.109 0.000 2.580 203 A HA 1.034 5.354 4.320 0.000 0.000 0.275 203 A C 0.712 178.255 177.584 -0.068 0.000 1.321 203 A CA 0.661 52.548 52.037 -0.251 0.000 0.924 203 A CB 1.224 20.058 19.000 -0.278 0.000 1.512 203 A HN 2.130 nan 8.150 nan 0.000 0.492 204 S N -2.541 113.150 115.700 -0.015 0.000 2.625 204 S HA 0.667 5.137 4.470 0.000 0.000 0.271 204 S C -1.494 173.150 174.600 0.074 0.000 1.161 204 S CA -0.553 57.704 58.200 0.095 0.000 0.820 204 S CB 1.127 64.450 63.200 0.204 0.000 1.137 204 S HN 1.116 nan 8.310 nan 0.000 0.470 205 V N 1.420 121.370 119.914 0.060 0.000 2.588 205 V HA 0.753 4.873 4.120 0.000 0.000 0.304 205 V C -0.629 175.491 176.094 0.044 0.000 1.042 205 V CA -0.277 62.049 62.300 0.044 0.000 0.877 205 V CB 1.810 33.650 31.823 0.028 0.000 0.996 205 V HN 1.090 nan 8.190 nan 0.000 0.425 206 T N 3.728 118.305 114.554 0.039 0.000 2.886 206 T HA 0.702 5.052 4.350 0.000 0.000 0.292 206 T C -0.904 173.810 174.700 0.022 0.000 1.012 206 T CA -0.532 61.587 62.100 0.031 0.000 0.982 206 T CB 1.955 70.841 68.868 0.030 0.000 1.018 206 T HN 0.353 nan 8.240 nan 0.000 0.451 207 V N 2.440 122.369 119.914 0.024 0.000 2.524 207 V HA 0.792 4.912 4.120 0.000 0.000 0.297 207 V C -0.050 176.062 176.094 0.030 0.000 1.035 207 V CA -0.585 61.728 62.300 0.023 0.000 0.867 207 V CB 1.685 33.526 31.823 0.029 0.000 1.004 207 V HN 1.038 nan 8.190 nan 0.000 0.426 208 T N 2.674 117.249 114.554 0.035 0.000 2.841 208 T HA 0.738 5.088 4.350 0.000 0.000 0.296 208 T C 0.233 175.001 174.700 0.112 0.000 1.166 208 T CA 0.372 62.512 62.100 0.066 0.000 1.007 208 T CB 2.221 71.131 68.868 0.071 0.000 1.253 208 T HN 0.832 nan 8.240 nan 0.000 0.511 209 A N 1.169 124.087 122.820 0.164 0.000 2.503 209 A HA 0.392 4.712 4.320 0.000 0.000 0.263 209 A C 0.250 178.037 177.584 0.339 0.000 1.258 209 A CA -0.067 52.151 52.037 0.302 0.000 0.936 209 A CB -0.075 19.062 19.000 0.229 0.000 1.070 209 A HN 0.665 nan 8.150 nan 0.000 0.522 210 D N 0.582 121.123 120.400 0.233 0.000 2.499 210 D HA 0.583 5.223 4.640 0.000 0.000 0.225 210 D C 1.262 177.711 176.300 0.248 0.000 1.124 210 D CA 0.405 54.504 54.000 0.164 0.000 0.938 210 D CB 0.920 41.780 40.800 0.100 0.000 1.014 210 D HN 0.144 nan 8.370 nan 0.000 0.517 211 A N 3.530 126.529 122.820 0.298 0.000 1.903 211 A HA -0.291 4.029 4.320 0.000 0.000 0.219 211 A C 1.727 179.572 177.584 0.435 0.000 1.191 211 A CA 1.646 53.966 52.037 0.472 0.000 0.638 211 A CB -0.790 18.409 19.000 0.332 0.000 0.823 211 A HN 0.679 nan 8.150 nan 0.000 0.451 212 H N -0.397 118.747 119.070 0.125 0.000 2.357 212 H HA -0.089 4.467 4.556 0.000 0.000 0.296 212 H C 2.428 177.818 175.328 0.104 0.000 1.108 212 H CA 1.678 57.778 56.048 0.087 0.000 1.273 212 H CB -0.487 29.296 29.762 0.036 0.000 1.367 212 H HN 0.538 nan 8.280 nan 0.000 0.498 213 A N 0.330 123.290 122.820 0.234 0.000 1.874 213 A HA 0.060 4.380 4.320 0.000 0.000 0.214 213 A C 2.591 180.258 177.584 0.138 0.000 1.189 213 A CA 1.423 53.550 52.037 0.150 0.000 0.615 213 A CB -1.027 18.041 19.000 0.115 0.000 0.830 213 A HN 0.447 nan 8.150 nan 0.000 0.443 214 A N 0.023 122.939 122.820 0.160 0.000 1.940 214 A HA 0.104 4.424 4.320 0.000 0.000 0.219 214 A C 2.436 180.145 177.584 0.208 0.000 1.176 214 A CA 2.156 54.260 52.037 0.113 0.000 0.631 214 A CB -0.940 18.051 19.000 -0.014 0.000 0.814 214 A HN 1.078 nan 8.150 nan 0.000 0.446 215 A N -0.190 122.837 122.820 0.345 0.000 1.969 215 A HA 0.388 4.708 4.320 0.000 0.000 0.218 215 A C 1.563 179.238 177.584 0.151 0.000 1.169 215 A CA 0.985 53.212 52.037 0.317 0.000 0.635 215 A CB -1.003 18.114 19.000 0.197 0.000 0.810 215 A HN 1.222 nan 8.150 nan 0.000 0.445 216 A N -0.808 122.079 122.820 0.111 0.000 2.522 216 A HA 0.432 4.752 4.320 0.000 0.000 0.256 216 A C 1.716 179.331 177.584 0.052 0.000 1.086 216 A CA 0.602 52.676 52.037 0.062 0.000 0.763 216 A CB -0.962 18.072 19.000 0.055 0.000 1.024 216 A HN 2.022 nan 8.150 nan 0.000 0.502 217 G N 1.492 110.315 108.800 0.037 0.000 2.220 217 G HA2 0.037 3.997 3.960 0.000 0.000 0.269 217 G HA3 0.037 3.997 3.960 0.000 0.000 0.269 217 G C 0.762 175.684 174.900 0.038 0.000 0.977 217 G CA 0.724 45.842 45.100 0.029 0.000 0.634 217 G HN 2.277 nan 8.290 nan 0.000 0.539 218 A N 0.172 123.028 122.820 0.060 0.000 2.531 218 A HA 0.446 4.766 4.320 0.000 0.000 0.236 218 A C 1.269 178.891 177.584 0.062 0.000 1.062 218 A CA 1.050 53.131 52.037 0.073 0.000 0.760 218 A CB 0.251 19.320 19.000 0.115 0.000 0.995 218 A HN 0.321 nan 8.150 nan 0.000 0.501 219 D N 0.309 120.745 120.400 0.060 0.000 2.183 219 D HA 0.060 4.700 4.640 0.000 0.000 0.205 219 D C -0.008 176.323 176.300 0.052 0.000 0.962 219 D CA 1.347 55.377 54.000 0.049 0.000 0.849 219 D CB 0.216 41.044 40.800 0.046 0.000 0.978 219 D HN 0.265 nan 8.370 nan 0.000 0.488 220 V N 1.912 121.868 119.914 0.069 0.000 2.531 220 V HA 0.277 4.397 4.120 0.000 0.000 0.301 220 V C -0.706 175.462 176.094 0.124 0.000 1.034 220 V CA -0.767 61.577 62.300 0.074 0.000 0.865 220 V CB 2.459 34.318 31.823 0.059 0.000 0.995 220 V HN -0.080 nan 8.190 nan 0.000 0.424 221 L N 5.763 127.064 121.223 0.131 0.000 2.305 221 L HA 0.757 5.097 4.340 0.000 0.000 0.284 221 L C -0.304 176.675 176.870 0.182 0.000 1.013 221 L CA 0.006 54.982 54.840 0.227 0.000 0.819 221 L CB 1.870 44.004 42.059 0.125 0.000 1.227 221 L HN 0.512 nan 8.230 nan 0.000 0.417 222 V N 1.760 121.841 119.914 0.278 0.000 2.876 222 V HA 0.849 4.969 4.120 0.000 0.000 0.312 222 V C -0.218 175.986 176.094 0.184 0.000 1.085 222 V CA -0.598 61.821 62.300 0.199 0.000 0.945 222 V CB 2.083 34.036 31.823 0.216 0.000 1.017 222 V HN 0.730 nan 8.190 nan 0.000 0.428 223 T N 1.237 115.793 114.554 0.003 0.000 2.853 223 T HA 0.538 4.888 4.350 0.000 0.000 0.311 223 T C -1.992 172.447 174.700 -0.434 0.000 1.307 223 T CA -0.291 61.687 62.100 -0.203 0.000 1.019 223 T CB 2.085 70.816 68.868 -0.229 0.000 1.264 223 T HN 0.946 nan 8.240 nan 0.000 0.497 224 D N 0.195 120.390 120.400 -0.341 0.000 2.493 224 D HA 0.531 5.171 4.640 0.000 0.000 0.239 224 D C -0.085 175.972 176.300 -0.406 0.000 1.049 224 D CA -0.050 53.714 54.000 -0.394 0.000 1.008 224 D CB 2.318 43.096 40.800 -0.037 0.000 1.398 224 D HN 0.454 nan 8.370 nan 0.000 0.513 225 T N 0.730 115.102 114.554 -0.302 0.000 2.855 225 T HA 0.044 4.394 4.350 0.000 0.000 0.322 225 T C -0.109 174.501 174.700 -0.149 0.000 1.088 225 T CA 0.039 61.978 62.100 -0.268 0.000 1.104 225 T CB 0.092 68.841 68.868 -0.199 0.000 0.996 225 T HN 0.157 nan 8.240 nan 0.000 0.549 240 K N 2.026 122.313 120.400 -0.188 0.000 2.067 240 K HA 0.279 4.599 4.320 0.000 0.000 0.203 240 K C -0.774 175.666 176.600 -0.265 0.000 1.048 240 K CA 1.583 57.767 56.287 -0.173 0.000 0.954 240 K CB -1.151 31.292 32.500 -0.095 0.000 0.737 240 K HN 0.599 nan 8.250 nan 0.000 0.444 241 P HA 0.106 nan 4.420 nan 0.000 0.249 241 P C 0.027 177.143 177.300 -0.306 0.000 1.593 241 P CA 0.230 63.163 63.100 -0.279 0.000 0.896 241 P CB -0.327 31.256 31.700 -0.194 0.000 1.581 242 F N -0.078 119.655 119.950 -0.362 0.000 2.720 242 F HA 0.286 4.813 4.527 0.000 0.000 0.301 242 F C 2.200 177.711 175.800 -0.481 0.000 1.103 242 F CA -0.302 57.332 58.000 -0.611 0.000 1.291 242 F CB -0.245 37.655 39.000 -1.835 0.000 1.086 242 F HN -0.129 nan 8.300 nan 0.000 0.592 243 R N 0.479 120.845 120.500 -0.224 0.000 2.152 243 R HA -0.097 4.243 4.340 0.000 0.000 0.232 243 R C -0.738 175.601 176.300 0.064 0.000 1.117 243 R CA 1.220 57.317 56.100 -0.005 0.000 0.981 243 R CB -1.829 28.477 30.300 0.011 0.000 0.870 243 R HN 0.262 nan 8.270 nan 0.000 0.451 244 P HA -0.033 nan 4.420 nan 0.000 0.242 244 P C 0.202 177.323 177.300 -0.299 0.000 1.197 244 P CA 0.875 63.840 63.100 -0.224 0.000 0.765 244 P CB 0.008 31.446 31.700 -0.437 0.000 0.936 245 F N -1.068 118.992 119.950 0.183 0.000 2.653 245 F HA 0.211 4.738 4.527 0.000 0.000 0.304 245 F C 1.307 177.243 175.800 0.227 0.000 1.092 245 F CA -0.610 57.543 58.000 0.255 0.000 1.279 245 F CB -0.340 38.844 39.000 0.306 0.000 1.044 245 F HN -0.128 nan 8.300 nan 0.000 0.564 246 Q N 1.402 121.429 119.800 0.377 0.000 2.349 246 Q HA 0.022 4.362 4.340 0.000 0.000 0.287 246 Q C -0.443 175.542 176.000 -0.025 0.000 1.044 246 Q CA -0.141 55.810 55.803 0.248 0.000 0.918 246 Q CB 0.674 29.558 28.738 0.243 0.000 1.242 246 Q HN 0.183 nan 8.270 nan 0.000 0.405 247 L N 5.290 126.445 121.223 -0.113 0.000 2.395 247 L HA 0.167 4.507 4.340 0.000 0.000 0.268 247 L C -0.639 176.155 176.870 -0.128 0.000 1.223 247 L CA 0.309 55.026 54.840 -0.205 0.000 1.093 247 L CB -0.699 41.238 42.059 -0.203 0.000 1.349 247 L HN 0.640 nan 8.230 nan 0.000 0.427 248 N N -1.114 117.519 118.700 -0.110 0.000 2.485 248 N HA 0.322 5.062 4.740 0.000 0.000 0.280 248 N C 0.911 176.373 175.510 -0.080 0.000 1.205 248 N CA -0.740 52.267 53.050 -0.071 0.000 0.959 248 N CB 0.576 39.040 38.487 -0.039 0.000 1.206 248 N HN 0.033 nan 8.380 nan 0.000 0.545 249 S N -0.756 114.910 115.700 -0.058 0.000 2.402 249 S HA -0.169 4.301 4.470 0.000 0.000 0.233 249 S C 1.631 176.193 174.600 -0.063 0.000 1.030 249 S CA 0.884 59.051 58.200 -0.054 0.000 1.003 249 S CB -0.401 62.777 63.200 -0.037 0.000 0.813 249 S HN 0.526 nan 8.310 nan 0.000 0.477 250 R N 0.510 120.971 120.500 -0.065 0.000 2.075 250 R HA -0.071 4.269 4.340 0.000 0.000 0.230 250 R C 2.356 178.585 176.300 -0.119 0.000 1.140 250 R CA 1.564 57.617 56.100 -0.079 0.000 0.928 250 R CB -0.708 29.553 30.300 -0.066 0.000 0.834 250 R HN 0.350 nan 8.270 nan 0.000 0.429 251 L N 1.287 122.426 121.223 -0.140 0.000 2.129 251 L HA -0.193 4.147 4.340 0.000 0.000 0.212 251 L C 2.304 179.086 176.870 -0.147 0.000 1.087 251 L CA 1.271 56.003 54.840 -0.179 0.000 0.757 251 L CB -0.424 41.500 42.059 -0.225 0.000 0.896 251 L HN 0.286 nan 8.230 nan 0.000 0.434 252 L N -0.456 120.692 121.223 -0.125 0.000 2.046 252 L HA -0.092 4.248 4.340 0.000 0.000 0.208 252 L C 2.489 179.321 176.870 -0.062 0.000 1.077 252 L CA 2.027 56.813 54.840 -0.089 0.000 0.747 252 L CB -0.995 41.017 42.059 -0.078 0.000 0.896 252 L HN 0.238 nan 8.230 nan 0.000 0.432 253 A N -0.663 122.117 122.820 -0.065 0.000 2.019 253 A HA -0.126 4.194 4.320 0.000 0.000 0.219 253 A C 2.168 179.723 177.584 -0.049 0.000 1.164 253 A CA 1.653 53.659 52.037 -0.051 0.000 0.644 253 A CB -0.854 18.116 19.000 -0.050 0.000 0.805 253 A HN 0.516 nan 8.150 nan 0.000 0.449 254 L N -1.049 120.133 121.223 -0.069 0.000 2.465 254 L HA 0.040 4.380 4.340 0.000 0.000 0.224 254 L C 1.707 178.566 176.870 -0.018 0.000 1.145 254 L CA 0.227 55.031 54.840 -0.059 0.000 0.834 254 L CB -0.868 41.126 42.059 -0.109 0.000 0.944 254 L HN 0.468 nan 8.230 nan 0.000 0.451 255 A N -0.011 122.804 122.820 -0.008 0.000 2.301 255 A HA 0.135 4.455 4.320 0.000 0.000 0.287 255 A C -0.263 177.327 177.584 0.011 0.000 1.274 255 A CA -0.461 51.587 52.037 0.018 0.000 0.865 255 A CB 0.154 19.172 19.000 0.030 0.000 1.324 255 A HN 0.190 nan 8.150 nan 0.000 0.508 256 D N -1.126 119.285 120.400 0.019 0.000 2.400 256 D HA 0.192 4.832 4.640 0.000 0.000 0.238 256 D C 1.533 177.837 176.300 0.006 0.000 1.157 256 D CA 0.881 54.889 54.000 0.013 0.000 0.889 256 D CB 0.742 41.553 40.800 0.019 0.000 1.199 256 D HN 0.436 nan 8.370 nan 0.000 0.436 257 S N 1.467 117.169 115.700 0.004 0.000 2.419 257 S HA -0.153 4.317 4.470 0.000 0.000 0.233 257 S C 0.978 175.578 174.600 0.001 0.000 1.016 257 S CA 0.750 58.950 58.200 -0.000 0.000 0.974 257 S CB 0.142 63.341 63.200 -0.000 0.000 0.786 257 S HN 0.563 nan 8.310 nan 0.000 0.492 258 D N 1.868 122.271 120.400 0.004 0.000 2.427 258 D HA 0.519 5.159 4.640 0.000 0.000 0.224 258 D C 0.543 176.847 176.300 0.006 0.000 1.157 258 D CA 0.045 54.048 54.000 0.004 0.000 0.828 258 D CB 0.623 41.427 40.800 0.006 0.000 0.974 258 D HN 0.501 nan 8.370 nan 0.000 0.498 259 A N 0.958 123.782 122.820 0.007 0.000 2.409 259 A HA 0.437 4.757 4.320 0.000 0.000 0.246 259 A C 0.442 178.029 177.584 0.005 0.000 1.099 259 A CA -0.072 51.973 52.037 0.012 0.000 0.789 259 A CB 0.277 19.287 19.000 0.017 0.000 1.053 259 A HN 0.388 nan 8.150 nan 0.000 0.503 260 I N -2.088 118.488 120.570 0.009 0.000 2.828 260 I HA 0.748 4.918 4.170 0.000 0.000 0.302 260 I C -0.990 175.125 176.117 -0.003 0.000 1.101 260 I CA -1.044 60.254 61.300 -0.004 0.000 1.031 260 I CB 2.251 40.247 38.000 -0.006 0.000 1.231 260 I HN 0.305 nan 8.210 nan 0.000 0.427 261 V N 5.626 125.524 119.914 -0.027 0.000 2.483 261 V HA 0.578 4.698 4.120 0.000 0.000 0.295 261 V C 0.024 176.091 176.094 -0.045 0.000 1.035 261 V CA -0.503 61.779 62.300 -0.029 0.000 0.896 261 V CB 1.448 33.239 31.823 -0.055 0.000 0.986 261 V HN 0.596 nan 8.190 nan 0.000 0.447 262 L N 3.787 125.002 121.223 -0.014 0.000 2.333 262 L HA 0.747 5.088 4.340 0.000 0.000 0.263 262 L C -0.832 176.055 176.870 0.028 0.000 1.014 262 L CA -0.697 54.133 54.840 -0.018 0.000 0.820 262 L CB 2.233 44.290 42.059 -0.003 0.000 1.352 262 L HN 0.667 nan 8.230 nan 0.000 0.421 263 H N 0.337 119.338 119.070 -0.114 0.000 3.154 263 H HA 0.128 4.684 4.556 0.000 0.000 0.330 263 H C -0.002 175.258 175.328 -0.114 0.000 1.033 263 H CA -1.029 54.951 56.048 -0.113 0.000 1.393 263 H CB 1.945 31.603 29.762 -0.172 0.000 1.951 263 H HN 0.869 nan 8.280 nan 0.000 0.466 264 C N 3.777 123.156 119.300 0.131 0.000 2.456 264 C HA 0.413 4.873 4.460 0.000 0.000 0.279 264 C C 0.945 176.016 174.990 0.135 0.000 1.427 264 C CA 0.018 59.079 59.018 0.072 0.000 1.778 264 C CB -1.497 26.234 27.740 -0.016 0.000 1.842 264 C HN 0.705 nan 8.230 nan 0.000 0.531 265 L N -1.301 120.095 121.223 0.289 0.000 0.584 265 L HA -0.054 4.287 4.340 0.000 0.000 0.356 265 L C -2.600 174.319 176.870 0.082 0.000 1.004 265 L CA -0.213 54.688 54.840 0.102 0.000 1.223 265 L CB -1.097 40.979 42.059 0.028 0.000 0.012 265 L HN 0.094 nan 8.230 nan 0.000 0.091 266 P HA 0.514 nan 4.420 nan 0.000 0.281 266 P C -1.060 176.104 177.300 -0.226 0.000 1.249 266 P CA -0.472 62.582 63.100 -0.077 0.000 0.810 266 P CB 1.317 32.997 31.700 -0.033 0.000 1.008 267 A N 1.461 124.072 122.820 -0.348 0.000 2.290 267 A HA 0.343 4.663 4.320 0.000 0.000 0.310 267 A C -0.505 176.949 177.584 -0.217 0.000 1.202 267 A CA -0.538 51.214 52.037 -0.476 0.000 0.837 267 A CB -0.289 18.265 19.000 -0.743 0.000 1.139 267 A HN 0.645 nan 8.150 nan 0.000 0.509 268 H N 2.420 121.426 119.070 -0.107 0.000 2.788 268 H HA 0.171 4.727 4.556 0.000 0.000 0.254 268 H C -0.063 175.197 175.328 -0.113 0.000 1.541 268 H CA -0.544 55.449 56.048 -0.091 0.000 1.295 268 H CB 0.074 29.791 29.762 -0.075 0.000 1.592 268 H HN 0.621 nan 8.280 nan 0.000 0.545 269 R N 1.423 121.930 120.500 0.012 0.000 2.485 269 R HA -0.035 4.305 4.340 0.000 0.000 0.304 269 R C 0.989 177.282 176.300 -0.012 0.000 0.934 269 R CA 1.129 57.213 56.100 -0.027 0.000 1.102 269 R CB 0.197 30.488 30.300 -0.016 0.000 0.906 269 R HN 1.032 nan 8.270 nan 0.000 0.407 270 G N 2.381 111.163 108.800 -0.030 0.000 2.339 270 G HA2 -0.238 3.722 3.960 0.000 0.000 0.209 270 G HA3 -0.238 3.722 3.960 0.000 0.000 0.209 270 G C 0.302 175.200 174.900 -0.004 0.000 1.015 270 G CA 0.190 45.288 45.100 -0.005 0.000 0.635 270 G HN 0.570 nan 8.290 nan 0.000 0.499 271 D N 0.819 121.175 120.400 -0.074 0.000 2.237 271 D HA 0.134 4.774 4.640 0.000 0.000 0.267 271 D C 2.388 178.319 176.300 -0.613 0.000 1.226 271 D CA 0.934 54.808 54.000 -0.210 0.000 0.947 271 D CB -0.409 40.242 40.800 -0.248 0.000 0.941 271 D HN 0.419 nan 8.370 nan 0.000 0.333 272 E N 0.833 120.366 120.200 -1.111 0.000 2.347 272 E HA -0.067 4.283 4.350 0.000 0.000 0.196 272 E C 0.606 176.988 176.600 -0.362 0.000 1.008 272 E CA 0.510 56.267 56.400 -1.071 0.000 0.852 272 E CB 0.461 29.426 29.700 -1.225 0.000 0.783 272 E HN 0.381 nan 8.360 nan 0.000 0.505 273 I N 1.155 121.580 120.570 -0.243 0.000 2.743 273 I HA 0.124 4.294 4.170 0.000 0.000 0.292 273 I C -0.725 175.332 176.117 -0.101 0.000 1.343 273 I CA -0.514 60.711 61.300 -0.126 0.000 1.038 273 I CB 2.161 40.126 38.000 -0.059 0.000 1.311 273 I HN 0.009 nan 8.210 nan 0.000 0.426 274 T N 1.109 115.619 114.554 -0.073 0.000 2.881 274 T HA 0.308 4.658 4.350 0.000 0.000 0.278 274 T C 0.624 175.296 174.700 -0.047 0.000 0.982 274 T CA -0.446 61.624 62.100 -0.049 0.000 0.989 274 T CB 1.365 70.213 68.868 -0.034 0.000 1.058 274 T HN 0.538 nan 8.240 nan 0.000 0.529 275 D N 1.144 121.527 120.400 -0.029 0.000 2.106 275 D HA -0.090 4.550 4.640 0.000 0.000 0.191 275 D C 2.325 178.614 176.300 -0.018 0.000 0.997 275 D CA 2.056 56.046 54.000 -0.017 0.000 0.834 275 D CB -0.788 40.010 40.800 -0.004 0.000 0.956 275 D HN 0.766 nan 8.370 nan 0.000 0.448 276 A N 0.074 122.882 122.820 -0.018 0.000 2.015 276 A HA -0.083 4.237 4.320 0.000 0.000 0.219 276 A C 2.442 180.010 177.584 -0.028 0.000 1.163 276 A CA 0.921 52.947 52.037 -0.017 0.000 0.646 276 A CB -0.442 18.549 19.000 -0.016 0.000 0.806 276 A HN 0.159 nan 8.150 nan 0.000 0.448 277 V N -0.668 119.221 119.914 -0.043 0.000 2.323 277 V HA -0.233 3.887 4.120 0.000 0.000 0.244 277 V C 2.537 178.589 176.094 -0.069 0.000 1.041 277 V CA 2.199 64.464 62.300 -0.058 0.000 1.025 277 V CB -0.494 31.285 31.823 -0.074 0.000 0.656 277 V HN 0.714 nan 8.190 nan 0.000 0.451 278 M N -0.184 119.369 119.600 -0.078 0.000 2.200 278 M HA -0.107 4.373 4.480 0.000 0.000 0.265 278 M C 1.029 177.285 176.300 -0.072 0.000 1.066 278 M CA 1.654 56.883 55.300 -0.117 0.000 1.127 278 M CB -0.092 32.426 32.600 -0.137 0.000 1.379 278 M HN 0.253 nan 8.290 nan 0.000 0.420 279 D N 0.932 121.331 120.400 -0.003 0.000 2.336 279 D HA 0.190 4.830 4.640 0.000 0.000 0.228 279 D C 0.651 176.971 176.300 0.034 0.000 1.120 279 D CA 0.214 54.250 54.000 0.059 0.000 0.839 279 D CB -0.119 40.726 40.800 0.074 0.000 0.932 279 D HN 0.424 nan 8.370 nan 0.000 0.509 280 G N 1.245 110.043 108.800 -0.003 0.000 2.537 280 G HA2 0.334 4.294 3.960 0.000 0.000 0.297 280 G HA3 0.334 4.294 3.960 0.000 0.000 0.297 280 G C -1.692 173.205 174.900 -0.005 0.000 1.310 280 G CA -0.825 44.272 45.100 -0.006 0.000 1.027 280 G HN -0.101 nan 8.290 nan 0.000 0.505 281 P HA 0.208 nan 4.420 nan 0.000 0.249 281 P C 0.827 178.121 177.300 -0.011 0.000 1.229 281 P CA 0.651 63.750 63.100 -0.001 0.000 0.788 281 P CB 0.836 32.536 31.700 0.000 0.000 1.072 282 A N -1.064 121.742 122.820 -0.024 0.000 2.348 282 A HA 0.211 4.531 4.320 0.000 0.000 0.224 282 A C 1.116 178.671 177.584 -0.047 0.000 1.227 282 A CA 0.109 52.129 52.037 -0.028 0.000 0.885 282 A CB -0.332 18.651 19.000 -0.028 0.000 0.933 282 A HN 0.159 nan 8.150 nan 0.000 0.506 283 S N 0.557 116.217 115.700 -0.066 0.000 2.465 283 S HA 0.515 4.985 4.470 0.000 0.000 0.279 283 S C 0.524 175.039 174.600 -0.141 0.000 1.201 283 S CA 0.183 58.307 58.200 -0.126 0.000 1.053 283 S CB 0.784 63.883 63.200 -0.168 0.000 0.953 283 S HN 0.715 nan 8.310 nan 0.000 0.488 284 A N 4.912 127.641 122.820 -0.152 0.000 2.713 284 A HA 0.365 4.685 4.320 0.000 0.000 0.296 284 A C 1.229 178.694 177.584 -0.199 0.000 1.255 284 A CA -0.311 51.652 52.037 -0.123 0.000 0.955 284 A CB -0.081 18.883 19.000 -0.061 0.000 1.149 284 A HN 0.695 nan 8.150 nan 0.000 0.538 285 V N -1.286 118.370 119.914 -0.430 0.000 2.667 285 V HA -0.206 3.914 4.120 0.000 0.000 0.252 285 V C 1.832 177.646 176.094 -0.467 0.000 1.065 285 V CA 1.904 63.861 62.300 -0.571 0.000 1.083 285 V CB -0.544 30.763 31.823 -0.859 0.000 0.692 285 V HN 0.917 nan 8.190 nan 0.000 0.468 286 W N -0.781 120.505 121.300 -0.022 0.000 2.576 286 W HA 0.028 4.688 4.660 0.000 0.000 0.275 286 W C 2.141 178.653 176.519 -0.012 0.000 1.241 286 W CA 0.139 57.469 57.345 -0.025 0.000 1.328 286 W CB -0.334 29.108 29.460 -0.030 0.000 1.092 286 W HN 0.195 nan 8.180 nan 0.000 0.586 287 D N 0.753 121.247 120.400 0.157 0.000 2.117 287 D HA -0.213 4.427 4.640 0.000 0.000 0.197 287 D C 1.794 178.136 176.300 0.069 0.000 0.987 287 D CA 1.516 55.577 54.000 0.102 0.000 0.829 287 D CB -0.585 40.251 40.800 0.061 0.000 0.961 287 D HN 0.272 nan 8.370 nan 0.000 0.460 288 E N 0.332 120.545 120.200 0.021 0.000 2.085 288 E HA -0.203 4.147 4.350 0.000 0.000 0.194 288 E C 1.899 178.512 176.600 0.021 0.000 0.994 288 E CA 1.162 57.563 56.400 0.001 0.000 0.801 288 E CB 0.031 29.705 29.700 -0.043 0.000 0.743 288 E HN 0.198 nan 8.360 nan 0.000 0.453 289 A N 1.009 123.861 122.820 0.055 0.000 1.897 289 A HA -0.197 4.123 4.320 0.000 0.000 0.215 289 A C 2.048 179.662 177.584 0.050 0.000 1.181 289 A CA 1.465 53.544 52.037 0.071 0.000 0.620 289 A CB -0.530 18.558 19.000 0.146 0.000 0.821 289 A HN 0.412 nan 8.150 nan 0.000 0.443 290 E N 0.269 120.515 120.200 0.076 0.000 2.049 290 E HA -0.253 4.097 4.350 0.000 0.000 0.198 290 E C 1.417 178.023 176.600 0.010 0.000 1.007 290 E CA 1.531 57.961 56.400 0.049 0.000 0.809 290 E CB -0.196 29.579 29.700 0.126 0.000 0.749 290 E HN 0.547 nan 8.360 nan 0.000 0.450 291 N N 0.675 119.433 118.700 0.098 0.000 2.443 291 N HA -0.126 4.614 4.740 0.000 0.000 0.184 291 N C 1.544 177.053 175.510 -0.003 0.000 1.037 291 N CA 0.460 53.586 53.050 0.127 0.000 0.896 291 N CB -0.241 38.312 38.487 0.109 0.000 0.959 291 N HN 0.154 nan 8.380 nan 0.000 0.442 292 R N 0.805 121.278 120.500 -0.045 0.000 2.103 292 R HA -0.133 4.207 4.340 0.000 0.000 0.242 292 R C 2.073 178.261 176.300 -0.187 0.000 1.142 292 R CA 0.690 56.735 56.100 -0.093 0.000 0.960 292 R CB -1.056 29.211 30.300 -0.055 0.000 0.858 292 R HN 0.281 nan 8.270 nan 0.000 0.439 293 L N 0.714 121.793 121.223 -0.240 0.000 1.976 293 L HA -0.166 4.174 4.340 0.000 0.000 0.209 293 L C 2.367 179.055 176.870 -0.303 0.000 1.071 293 L CA 1.904 56.548 54.840 -0.326 0.000 0.746 293 L CB -0.718 41.090 42.059 -0.419 0.000 0.890 293 L HN 0.212 nan 8.230 nan 0.000 0.432 294 H N -0.334 118.705 119.070 -0.052 0.000 2.387 294 H HA 0.008 4.564 4.556 0.000 0.000 0.299 294 H C 2.100 177.394 175.328 -0.057 0.000 1.090 294 H CA 1.348 57.370 56.048 -0.042 0.000 1.332 294 H CB -0.553 29.193 29.762 -0.026 0.000 1.386 294 H HN 0.545 nan 8.280 nan 0.000 0.516 295 A N 1.070 123.905 122.820 0.025 0.000 2.014 295 A HA -0.119 4.201 4.320 0.000 0.000 0.218 295 A C 2.280 179.819 177.584 -0.075 0.000 1.163 295 A CA 0.940 52.962 52.037 -0.026 0.000 0.652 295 A CB -0.209 18.771 19.000 -0.032 0.000 0.808 295 A HN 0.409 nan 8.150 nan 0.000 0.449 296 Q N -0.404 119.308 119.800 -0.146 0.000 2.331 296 Q HA 0.003 4.343 4.340 0.000 0.000 0.203 296 Q C 1.777 177.734 176.000 -0.072 0.000 0.944 296 Q CA 0.832 56.518 55.803 -0.196 0.000 0.892 296 Q CB -0.011 28.326 28.738 -0.669 0.000 0.983 296 Q HN 0.571 nan 8.270 nan 0.000 0.482 297 K N 0.749 121.118 120.400 -0.051 0.000 2.025 297 K HA -0.059 4.261 4.320 0.000 0.000 0.207 297 K C 2.155 178.782 176.600 0.045 0.000 1.049 297 K CA 1.126 57.425 56.287 0.020 0.000 0.933 297 K CB -0.140 32.380 32.500 0.032 0.000 0.714 297 K HN 0.116 nan 8.250 nan 0.000 0.438 298 A N 1.592 124.428 122.820 0.028 0.000 1.933 298 A HA -0.166 4.154 4.320 0.000 0.000 0.218 298 A C 2.123 179.736 177.584 0.048 0.000 1.175 298 A CA 1.205 53.264 52.037 0.037 0.000 0.628 298 A CB -0.483 18.518 19.000 0.002 0.000 0.814 298 A HN 0.244 nan 8.150 nan 0.000 0.444 299 L N -0.969 120.250 121.223 -0.007 0.000 2.005 299 L HA -0.079 4.261 4.340 0.000 0.000 0.207 299 L C 2.166 179.098 176.870 0.103 0.000 1.072 299 L CA 1.504 56.322 54.840 -0.037 0.000 0.744 299 L CB -0.530 41.455 42.059 -0.124 0.000 0.895 299 L HN 0.240 nan 8.230 nan 0.000 0.433 300 L N -0.703 120.592 121.223 0.121 0.000 1.997 300 L HA -0.246 4.094 4.340 0.000 0.000 0.216 300 L C 2.621 179.565 176.870 0.123 0.000 1.074 300 L CA 1.873 56.798 54.840 0.141 0.000 0.763 300 L CB -1.322 40.823 42.059 0.143 0.000 0.890 300 L HN 0.149 nan 8.230 nan 0.000 0.434 301 V N -1.897 118.085 119.914 0.113 0.000 2.287 301 V HA -0.341 3.779 4.120 0.000 0.000 0.248 301 V C 2.176 178.335 176.094 0.109 0.000 1.053 301 V CA 2.017 64.373 62.300 0.093 0.000 1.027 301 V CB -0.722 31.151 31.823 0.084 0.000 0.646 301 V HN 0.675 nan 8.190 nan 0.000 0.447 302 W N 0.199 121.480 121.300 -0.032 0.000 2.355 302 W HA -0.151 4.509 4.660 0.000 0.000 0.309 302 W C 2.216 178.708 176.519 -0.044 0.000 1.206 302 W CA 1.606 58.924 57.345 -0.045 0.000 1.284 302 W CB -0.189 29.227 29.460 -0.073 0.000 1.145 302 W HN 0.138 nan 8.180 nan 0.000 0.502 303 L N 0.119 121.531 121.223 0.316 0.000 2.083 303 L HA -0.230 4.110 4.340 0.000 0.000 0.209 303 L C 2.429 179.282 176.870 -0.028 0.000 1.083 303 L CA 1.038 55.981 54.840 0.171 0.000 0.752 303 L CB -0.874 41.317 42.059 0.219 0.000 0.899 303 L HN 0.087 nan 8.230 nan 0.000 0.433 304 L N -0.144 121.075 121.223 -0.007 0.000 2.056 304 L HA -0.181 4.159 4.340 0.000 0.000 0.207 304 L C 2.511 179.327 176.870 -0.091 0.000 1.078 304 L CA 1.259 56.081 54.840 -0.031 0.000 0.749 304 L CB -0.434 41.628 42.059 0.004 0.000 0.901 304 L HN 0.391 nan 8.230 nan 0.000 0.433 305 E N -0.093 120.023 120.200 -0.140 0.000 2.516 305 E HA -0.158 4.192 4.350 0.000 0.000 0.199 305 E C 1.500 177.956 176.600 -0.240 0.000 1.069 305 E CA 0.462 56.759 56.400 -0.173 0.000 0.876 305 E CB -0.021 29.576 29.700 -0.171 0.000 0.843 305 E HN 0.422 nan 8.360 nan 0.000 0.530 306 R N 0.351 120.672 120.500 -0.298 0.000 2.509 306 R HA 0.289 4.629 4.340 0.000 0.000 0.300 306 R C -0.370 175.810 176.300 -0.201 0.000 0.985 306 R CA -0.102 55.808 56.100 -0.318 0.000 1.092 306 R CB 1.026 30.998 30.300 -0.546 0.000 1.237 306 R HN -0.037 nan 8.270 nan 0.000 0.546 307 S N 0.000 115.612 115.700 -0.147 0.000 2.498 307 S HA 0.000 4.470 4.470 0.000 0.000 0.327 307 S CA 0.000 58.136 58.200 -0.106 0.000 1.107 307 S CB 0.000 63.144 63.200 -0.094 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517