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 3k92_1_A DATA FIRST_RESID 7 DATA SEQUENCE SKDEEKEALN LFLSTQTIIK EALRKLGYPG DMYELMKEPQ RMLTVRIPVK DATA SEQUENCE MDNGSVKVFT GYRSQHNDAV GPTKGGVRFH PEVNEEKVKA LSIWMTLKCG DATA SEQUENCE IANLPYGGGK GGIICDPRTM SFGELERLSR GYVRAISQIV GPTKDIPAPD DATA SEQUENCE VYTNSQIMAW MMDEYSRLRE FDSPGFITGK PLVLGGSQGR ETATAQGVTI DATA SEQUENCE CIEEAVKKKG IKLQNARIII QGFGNAGSFL AKFMHDAGAK VIGISDANGG DATA SEQUENCE LYNPDGLDIP YLLDKRDSFG MVTNLFTDVI TNEELLEKDC DILVPAAISN DATA SEQUENCE QITAKNAHNI QASIVVERAN GPTTIDATKI LNERGVLLVP DILASAGGVT DATA SEQUENCE VSYFEWVQNN QGYYWSEEEV AEKLRSVMVS SFETIYQTAA THKVDMRLAA DATA SEQUENCE YMTGIRKSAE ASRFRGWV 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.621 174.600 0.035 0.000 1.055 7 S CA 0.000 58.222 58.200 0.036 0.000 1.107 7 S CB 0.000 63.223 63.200 0.038 0.000 0.593 8 K N 1.866 122.284 120.400 0.029 0.000 2.113 8 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 8 K C 0.983 177.600 176.600 0.030 0.000 1.047 8 K CA 2.073 58.376 56.287 0.028 0.000 0.928 8 K CB -0.217 32.297 32.500 0.023 0.000 0.716 8 K HN 0.539 nan 8.250 nan 0.000 0.446 9 D N 0.676 121.094 120.400 0.031 0.000 2.092 9 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 9 D C 1.695 178.017 176.300 0.036 0.000 0.994 9 D CA 1.364 55.383 54.000 0.032 0.000 0.828 9 D CB 0.089 40.908 40.800 0.031 0.000 0.963 9 D HN 0.235 nan 8.370 nan 0.000 0.450 10 E N 0.110 120.335 120.200 0.041 0.000 2.106 10 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 10 E C 1.933 178.557 176.600 0.041 0.000 0.984 10 E CA 0.985 57.413 56.400 0.046 0.000 0.806 10 E CB -0.090 29.646 29.700 0.060 0.000 0.750 10 E HN 0.434 nan 8.360 nan 0.000 0.458 11 E N 1.364 121.586 120.200 0.037 0.000 2.107 11 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 11 E C 2.093 178.710 176.600 0.030 0.000 0.982 11 E CA 0.830 57.248 56.400 0.029 0.000 0.809 11 E CB 0.083 29.800 29.700 0.027 0.000 0.756 11 E HN -0.027 nan 8.360 nan 0.000 0.459 12 K N 0.820 121.240 120.400 0.033 0.000 2.057 12 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 12 K C 1.801 178.427 176.600 0.044 0.000 1.049 12 K CA 1.632 57.940 56.287 0.036 0.000 0.931 12 K CB -0.044 32.476 32.500 0.033 0.000 0.714 12 K HN 0.030 nan 8.250 nan 0.000 0.440 13 E N 0.571 120.797 120.200 0.044 0.000 2.110 13 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 13 E C 1.799 178.436 176.600 0.063 0.000 0.988 13 E CA 1.344 57.776 56.400 0.053 0.000 0.804 13 E CB -0.385 29.344 29.700 0.049 0.000 0.745 13 E HN 0.417 nan 8.360 nan 0.000 0.458 14 A N 0.404 123.252 122.820 0.046 0.000 1.877 14 A HA -0.163 4.156 4.320 -0.000 0.000 0.216 14 A C 2.200 179.815 177.584 0.051 0.000 1.186 14 A CA 1.511 53.566 52.037 0.030 0.000 0.620 14 A CB -0.721 18.275 19.000 -0.006 0.000 0.822 14 A HN 0.309 nan 8.150 nan 0.000 0.443 15 L N 0.606 121.865 121.223 0.060 0.000 1.994 15 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 15 L C 1.854 178.807 176.870 0.138 0.000 1.071 15 L CA 2.549 57.452 54.840 0.104 0.000 0.745 15 L CB -0.954 41.153 42.059 0.080 0.000 0.892 15 L HN 0.501 nan 8.230 nan 0.000 0.431 16 N N -0.815 117.943 118.700 0.097 0.000 2.205 16 N HA -0.200 4.540 4.740 -0.000 0.000 0.186 16 N C 1.880 177.461 175.510 0.117 0.000 1.015 16 N CA 1.278 54.381 53.050 0.088 0.000 0.862 16 N CB -0.254 38.272 38.487 0.065 0.000 0.986 16 N HN 0.354 nan 8.380 nan 0.000 0.429 17 L N -0.356 120.957 121.223 0.151 0.000 2.093 17 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 17 L C 2.033 179.050 176.870 0.245 0.000 1.085 17 L CA 1.008 55.982 54.840 0.223 0.000 0.755 17 L CB -0.310 41.907 42.059 0.264 0.000 0.904 17 L HN 0.241 nan 8.230 nan 0.000 0.435 18 F N 0.288 120.249 119.950 0.018 0.000 2.128 18 F HA -0.187 4.339 4.527 -0.000 0.000 0.295 18 F C 2.235 178.059 175.800 0.039 0.000 1.100 18 F CA 1.224 59.210 58.000 -0.022 0.000 1.260 18 F CB 0.096 39.054 39.000 -0.071 0.000 1.009 18 F HN -0.133 nan 8.300 nan 0.000 0.476 19 L N -0.374 120.819 121.223 -0.050 0.000 2.083 19 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 19 L C 2.710 179.538 176.870 -0.070 0.000 1.083 19 L CA 1.508 56.278 54.840 -0.116 0.000 0.752 19 L CB -0.942 41.106 42.059 -0.019 0.000 0.899 19 L HN 0.267 nan 8.230 nan 0.000 0.433 20 S N -1.035 114.669 115.700 0.008 0.000 2.406 20 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 20 S C 2.121 176.748 174.600 0.046 0.000 1.020 20 S CA 1.594 59.806 58.200 0.021 0.000 0.965 20 S CB -0.254 62.980 63.200 0.057 0.000 0.798 20 S HN 0.549 nan 8.310 nan 0.000 0.488 21 T N -0.078 114.551 114.554 0.126 0.000 2.942 21 T HA 0.010 4.360 4.350 -0.000 0.000 0.265 21 T C 1.869 176.650 174.700 0.135 0.000 1.062 21 T CA 1.110 63.364 62.100 0.257 0.000 1.139 21 T CB -0.494 68.700 68.868 0.542 0.000 0.883 21 T HN 0.553 nan 8.240 nan 0.000 0.468 22 Q N 0.286 120.057 119.800 -0.050 0.000 2.096 22 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 22 Q C 2.565 178.587 176.000 0.036 0.000 0.982 22 Q CA 2.060 57.870 55.803 0.012 0.000 0.850 22 Q CB -0.486 28.171 28.738 -0.137 0.000 0.901 22 Q HN 0.528 nan 8.270 nan 0.000 0.422 23 T N 1.166 115.686 114.554 -0.056 0.000 2.635 23 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 23 T C 1.840 176.452 174.700 -0.146 0.000 1.040 23 T CA 1.400 63.430 62.100 -0.116 0.000 1.156 23 T CB -0.218 68.590 68.868 -0.099 0.000 0.863 23 T HN 0.204 nan 8.240 nan 0.000 0.430 24 I N 0.061 120.529 120.570 -0.170 0.000 2.353 24 I HA -0.003 4.167 4.170 -0.000 0.000 0.248 24 I C 2.252 178.254 176.117 -0.192 0.000 1.119 24 I CA 0.770 61.871 61.300 -0.332 0.000 1.417 24 I CB -0.280 37.248 38.000 -0.787 0.000 1.078 24 I HN 0.162 nan 8.210 nan 0.000 0.421 25 I N 0.784 121.389 120.570 0.058 0.000 2.286 25 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 25 I C 2.617 178.810 176.117 0.126 0.000 1.115 25 I CA 1.533 62.986 61.300 0.255 0.000 1.392 25 I CB -0.141 38.068 38.000 0.348 0.000 1.065 25 I HN 0.137 nan 8.210 nan 0.000 0.418 26 K N 0.396 120.775 120.400 -0.035 0.000 2.009 26 K HA -0.301 4.019 4.320 -0.000 0.000 0.210 26 K C 2.112 178.628 176.600 -0.140 0.000 1.049 26 K CA 2.126 58.244 56.287 -0.281 0.000 0.929 26 K CB -0.150 31.910 32.500 -0.732 0.000 0.714 26 K HN 0.194 nan 8.250 nan 0.000 0.440 27 E N 0.470 120.590 120.200 -0.134 0.000 2.085 27 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 27 E C 1.600 178.175 176.600 -0.043 0.000 0.994 27 E CA 1.613 57.956 56.400 -0.094 0.000 0.801 27 E CB -0.250 29.380 29.700 -0.117 0.000 0.743 27 E HN 0.390 nan 8.360 nan 0.000 0.453 28 A N 0.473 123.283 122.820 -0.017 0.000 1.865 28 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 28 A C 2.352 179.974 177.584 0.063 0.000 1.191 28 A CA 1.637 53.691 52.037 0.027 0.000 0.623 28 A CB -0.909 18.157 19.000 0.111 0.000 0.826 28 A HN 0.350 nan 8.150 nan 0.000 0.444 29 L N -1.156 120.125 121.223 0.097 0.000 2.079 29 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 29 L C 2.831 179.814 176.870 0.188 0.000 1.081 29 L CA 1.796 56.735 54.840 0.165 0.000 0.752 29 L CB -0.438 41.705 42.059 0.141 0.000 0.896 29 L HN 0.471 nan 8.230 nan 0.000 0.433 30 R N 0.521 121.074 120.500 0.088 0.000 2.070 30 R HA -0.214 4.126 4.340 -0.000 0.000 0.233 30 R C 2.318 178.644 176.300 0.044 0.000 1.137 30 R CA 1.639 57.772 56.100 0.055 0.000 0.945 30 R CB -0.044 30.257 30.300 0.001 0.000 0.845 30 R HN 0.027 nan 8.270 nan 0.000 0.430 31 K N 0.070 120.486 120.400 0.027 0.000 2.211 31 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 31 K C 1.554 178.174 176.600 0.033 0.000 1.047 31 K CA 0.781 57.081 56.287 0.021 0.000 0.935 31 K CB -0.060 32.431 32.500 -0.014 0.000 0.728 31 K HN 0.099 nan 8.250 nan 0.000 0.452 32 L N -0.965 120.296 121.223 0.063 0.000 2.554 32 L HA 0.202 4.542 4.340 -0.000 0.000 0.226 32 L C 1.048 177.906 176.870 -0.021 0.000 1.137 32 L CA 1.393 56.282 54.840 0.082 0.000 0.863 32 L CB 0.073 42.260 42.059 0.214 0.000 0.985 32 L HN 0.439 nan 8.230 nan 0.000 0.451 33 G N -2.450 106.329 108.800 -0.036 0.000 2.163 33 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.213 33 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.213 33 G C -0.013 174.735 174.900 -0.254 0.000 0.991 33 G CA -0.272 44.735 45.100 -0.155 0.000 0.653 33 G HN 0.230 nan 8.290 nan 0.000 0.518 34 Y N 1.810 122.117 120.300 0.012 0.000 2.299 34 Y HA 0.530 5.080 4.550 -0.000 0.000 0.326 34 Y C -0.894 175.019 175.900 0.022 0.000 1.164 34 Y CA -1.700 56.411 58.100 0.017 0.000 1.234 34 Y CB 0.892 39.372 38.460 0.032 0.000 1.219 34 Y HN 0.068 nan 8.280 nan 0.000 0.497 35 P HA 0.088 nan 4.420 nan 0.000 0.275 35 P C 0.824 178.210 177.300 0.143 0.000 1.266 35 P CA -0.205 62.963 63.100 0.113 0.000 0.793 35 P CB 0.710 32.460 31.700 0.083 0.000 1.074 36 G N 0.509 109.375 108.800 0.111 0.000 2.479 36 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 36 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 36 G C 0.883 175.879 174.900 0.160 0.000 1.115 36 G CA 0.994 46.173 45.100 0.133 0.000 0.757 36 G HN 0.645 nan 8.290 nan 0.000 0.560 37 D N 0.137 120.612 120.400 0.124 0.000 2.194 37 D HA -0.027 4.613 4.640 -0.000 0.000 0.204 37 D C 2.125 178.475 176.300 0.083 0.000 0.964 37 D CA 0.564 54.621 54.000 0.096 0.000 0.846 37 D CB -0.523 40.323 40.800 0.077 0.000 0.962 37 D HN 0.248 nan 8.370 nan 0.000 0.490 38 M N -0.133 119.525 119.600 0.097 0.000 2.108 38 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 38 M C 2.016 178.343 176.300 0.045 0.000 1.066 38 M CA 1.262 56.579 55.300 0.028 0.000 1.107 38 M CB -0.792 31.764 32.600 -0.073 0.000 1.356 38 M HN 0.188 nan 8.290 nan 0.000 0.406 39 Y N 0.432 120.738 120.300 0.010 0.000 2.274 39 Y HA -0.201 4.348 4.550 -0.000 0.000 0.290 39 Y C 1.847 177.764 175.900 0.028 0.000 1.145 39 Y CA 1.757 59.869 58.100 0.020 0.000 1.203 39 Y CB -0.052 38.422 38.460 0.023 0.000 0.984 39 Y HN 0.273 nan 8.280 nan 0.000 0.533 40 E N 0.373 120.495 120.200 -0.131 0.000 2.152 40 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 40 E C 2.296 178.802 176.600 -0.158 0.000 0.983 40 E CA 0.703 56.988 56.400 -0.190 0.000 0.818 40 E CB -0.423 29.253 29.700 -0.039 0.000 0.758 40 E HN 0.502 nan 8.360 nan 0.000 0.467 41 L N 0.169 121.341 121.223 -0.085 0.000 2.046 41 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 41 L C 1.940 178.764 176.870 -0.076 0.000 1.077 41 L CA 1.242 56.049 54.840 -0.055 0.000 0.747 41 L CB -0.154 41.909 42.059 0.006 0.000 0.896 41 L HN 0.155 nan 8.230 nan 0.000 0.432 42 M N -0.290 119.266 119.600 -0.073 0.000 2.514 42 M HA -0.065 4.415 4.480 -0.000 0.000 0.258 42 M C 1.987 178.364 176.300 0.129 0.000 1.119 42 M CA 0.801 56.136 55.300 0.058 0.000 1.111 42 M CB -0.650 32.021 32.600 0.119 0.000 1.390 42 M HN 0.290 nan 8.290 nan 0.000 0.475 43 K N 0.367 120.650 120.400 -0.195 0.000 2.283 43 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 43 K C 0.559 177.157 176.600 -0.004 0.000 1.048 43 K CA 1.021 57.144 56.287 -0.272 0.000 0.948 43 K CB 0.372 32.382 32.500 -0.817 0.000 0.742 43 K HN 0.095 nan 8.250 nan 0.000 0.458 44 E N 0.755 120.996 120.200 0.067 0.000 2.369 44 E HA 0.376 4.726 4.350 -0.000 0.000 0.270 44 E C -2.808 173.894 176.600 0.170 0.000 0.909 44 E CA -2.974 53.528 56.400 0.169 0.000 0.775 44 E CB 2.057 31.810 29.700 0.087 0.000 1.270 44 E HN -0.099 nan 8.360 nan 0.000 0.445 45 P HA 0.085 nan 4.420 nan 0.000 0.274 45 P C -0.089 177.208 177.300 -0.005 0.000 1.231 45 P CA 0.048 63.214 63.100 0.111 0.000 0.790 45 P CB 0.961 32.711 31.700 0.083 0.000 0.951 46 Q N 0.764 120.527 119.800 -0.062 0.000 2.112 46 Q HA -0.133 4.206 4.340 -0.000 0.000 0.206 46 Q C 0.381 176.341 176.000 -0.067 0.000 0.987 46 Q CA 1.629 57.374 55.803 -0.097 0.000 0.858 46 Q CB 0.035 28.698 28.738 -0.125 0.000 0.905 46 Q HN 0.431 nan 8.270 nan 0.000 0.420 47 R N -0.381 120.097 120.500 -0.037 0.000 2.574 47 R HA 0.426 4.765 4.340 -0.000 0.000 0.288 47 R C -1.493 174.803 176.300 -0.006 0.000 1.004 47 R CA -0.557 55.529 56.100 -0.024 0.000 0.895 47 R CB 1.682 31.969 30.300 -0.021 0.000 1.191 47 R HN -0.022 nan 8.270 nan 0.000 0.444 48 M N 4.085 123.683 119.600 -0.003 0.000 2.197 48 M HA 0.391 4.871 4.480 -0.000 0.000 0.301 48 M C -1.918 174.400 176.300 0.031 0.000 0.987 48 M CA -0.656 54.650 55.300 0.011 0.000 0.921 48 M CB 1.494 34.088 32.600 -0.010 0.000 1.569 48 M HN 0.552 nan 8.290 nan 0.000 0.431 49 L N 4.312 125.567 121.223 0.053 0.000 2.313 49 L HA 0.684 5.024 4.340 -0.000 0.000 0.283 49 L C -0.850 176.080 176.870 0.101 0.000 1.013 49 L CA -0.238 54.633 54.840 0.052 0.000 0.816 49 L CB 1.738 43.810 42.059 0.023 0.000 1.236 49 L HN 0.869 nan 8.230 nan 0.000 0.419 50 T N 4.440 119.041 114.554 0.078 0.000 2.792 50 T HA 0.621 4.971 4.350 -0.000 0.000 0.280 50 T C -0.616 174.064 174.700 -0.034 0.000 0.990 50 T CA -0.525 61.602 62.100 0.046 0.000 0.960 50 T CB 1.189 70.141 68.868 0.140 0.000 0.939 50 T HN 0.436 nan 8.240 nan 0.000 0.439 51 V N 2.700 122.562 119.914 -0.087 0.000 2.864 51 V HA 0.783 4.903 4.120 -0.000 0.000 0.314 51 V C -0.600 175.455 176.094 -0.065 0.000 1.073 51 V CA -1.325 60.941 62.300 -0.057 0.000 0.956 51 V CB 1.964 33.764 31.823 -0.038 0.000 1.023 51 V HN 0.893 nan 8.190 nan 0.000 0.435 52 R N 2.846 123.328 120.500 -0.031 0.000 2.393 52 R HA 0.679 5.018 4.340 -0.000 0.000 0.315 52 R C -1.402 174.909 176.300 0.018 0.000 0.952 52 R CA -0.477 55.616 56.100 -0.012 0.000 0.842 52 R CB 1.969 32.257 30.300 -0.020 0.000 1.163 52 R HN 0.803 nan 8.270 nan 0.000 0.450 53 I N 4.949 125.556 120.570 0.063 0.000 2.411 53 I HA 0.280 4.450 4.170 -0.000 0.000 0.284 53 I C -2.232 173.964 176.117 0.132 0.000 1.012 53 I CA -2.312 59.041 61.300 0.088 0.000 1.119 53 I CB 2.184 40.246 38.000 0.103 0.000 1.261 53 I HN 0.198 nan 8.210 nan 0.000 0.448 54 P HA 0.262 nan 4.420 nan 0.000 0.287 54 P C -0.743 176.614 177.300 0.095 0.000 1.281 54 P CA -0.284 62.861 63.100 0.075 0.000 0.781 54 P CB 1.441 33.158 31.700 0.029 0.000 0.903 55 V N 3.994 123.995 119.914 0.145 0.000 2.588 55 V HA 0.312 4.432 4.120 -0.000 0.000 0.304 55 V C 0.237 176.385 176.094 0.089 0.000 1.042 55 V CA -0.953 61.422 62.300 0.124 0.000 0.877 55 V CB 2.139 34.074 31.823 0.188 0.000 0.996 55 V HN 0.321 nan 8.190 nan 0.000 0.425 56 K N 5.342 125.768 120.400 0.042 0.000 2.349 56 K HA 0.373 4.693 4.320 -0.000 0.000 0.289 56 K C -0.135 176.483 176.600 0.031 0.000 1.064 56 K CA 0.041 56.343 56.287 0.024 0.000 0.947 56 K CB 0.244 32.746 32.500 0.005 0.000 1.007 56 K HN 0.471 nan 8.250 nan 0.000 0.478 57 M N 2.755 122.376 119.600 0.035 0.000 2.283 57 M HA 0.127 4.607 4.480 -0.000 0.000 0.314 57 M C 0.784 177.094 176.300 0.017 0.000 1.153 57 M CA -0.270 55.052 55.300 0.038 0.000 1.084 57 M CB 0.668 33.294 32.600 0.042 0.000 1.468 57 M HN 0.555 nan 8.290 nan 0.000 0.474 58 D N 1.084 121.494 120.400 0.015 0.000 2.133 58 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 58 D C 1.264 177.565 176.300 0.001 0.000 0.997 58 D CA 1.628 55.631 54.000 0.005 0.000 0.840 58 D CB -0.314 40.489 40.800 0.004 0.000 0.947 58 D HN 0.778 nan 8.370 nan 0.000 0.452 59 N N -0.677 118.025 118.700 0.002 0.000 2.575 59 N HA -0.035 4.705 4.740 -0.000 0.000 0.192 59 N C 1.306 176.814 175.510 -0.004 0.000 1.200 59 N CA 0.755 53.804 53.050 -0.002 0.000 0.897 59 N CB 0.284 38.769 38.487 -0.003 0.000 0.990 59 N HN 0.197 nan 8.380 nan 0.000 0.449 60 G N 0.427 109.225 108.800 -0.003 0.000 2.268 60 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.240 60 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.240 60 G C 0.305 175.202 174.900 -0.006 0.000 1.010 60 G CA 0.330 45.427 45.100 -0.005 0.000 0.618 60 G HN 0.732 nan 8.290 nan 0.000 0.516 61 S N -0.337 115.359 115.700 -0.007 0.000 2.596 61 S HA 0.589 5.059 4.470 -0.000 0.000 0.260 61 S C 0.439 175.034 174.600 -0.008 0.000 1.336 61 S CA 0.220 58.413 58.200 -0.012 0.000 0.993 61 S CB 1.965 65.153 63.200 -0.019 0.000 0.923 61 S HN 1.932 nan 8.310 nan 0.000 0.567 62 V N 0.434 120.339 119.914 -0.016 0.000 2.459 62 V HA 0.821 4.941 4.120 -0.000 0.000 0.295 62 V C -0.682 175.387 176.094 -0.041 0.000 1.029 62 V CA -0.761 61.532 62.300 -0.012 0.000 0.874 62 V CB 1.198 33.017 31.823 -0.006 0.000 0.985 62 V HN 1.133 nan 8.190 nan 0.000 0.438 63 K N 5.213 125.586 120.400 -0.044 0.000 2.270 63 K HA 0.731 5.050 4.320 -0.000 0.000 0.255 63 K C -1.562 174.921 176.600 -0.195 0.000 0.936 63 K CA -0.536 55.644 56.287 -0.179 0.000 0.809 63 K CB 2.115 34.451 32.500 -0.274 0.000 1.131 63 K HN 0.630 nan 8.250 nan 0.000 0.427 64 V N 5.337 125.092 119.914 -0.264 0.000 2.347 64 V HA 0.478 4.598 4.120 -0.000 0.000 0.280 64 V C -0.755 175.205 176.094 -0.223 0.000 1.021 64 V CA -0.594 61.625 62.300 -0.134 0.000 0.847 64 V CB 0.114 31.891 31.823 -0.077 0.000 0.990 64 V HN 0.628 nan 8.190 nan 0.000 0.444 65 F N 1.686 121.596 119.950 -0.066 0.000 2.425 65 F HA 0.530 5.057 4.527 -0.000 0.000 0.331 65 F C 0.981 176.719 175.800 -0.103 0.000 1.085 65 F CA -0.406 57.542 58.000 -0.087 0.000 1.028 65 F CB 1.762 40.694 39.000 -0.113 0.000 1.177 65 F HN 0.323 nan 8.300 nan 0.000 0.487 66 T N 1.775 116.360 114.554 0.053 0.000 2.771 66 T HA 0.598 4.948 4.350 -0.000 0.000 0.291 66 T C 0.250 174.836 174.700 -0.190 0.000 0.954 66 T CA -0.595 61.438 62.100 -0.112 0.000 1.045 66 T CB 1.004 69.767 68.868 -0.176 0.000 0.917 66 T HN 0.819 nan 8.240 nan 0.000 0.484 67 G N 1.603 110.255 108.800 -0.246 0.000 2.630 67 G HA2 0.722 4.682 3.960 -0.000 0.000 0.296 67 G HA3 0.722 4.682 3.960 -0.000 0.000 0.296 67 G C -2.012 172.681 174.900 -0.345 0.000 1.285 67 G CA -0.689 44.308 45.100 -0.171 0.000 0.958 67 G HN 0.584 nan 8.290 nan 0.000 0.479 68 Y N -1.014 119.420 120.300 0.222 0.000 2.562 68 Y HA 0.773 5.323 4.550 -0.000 0.000 0.345 68 Y C 0.008 176.021 175.900 0.188 0.000 1.045 68 Y CA -1.078 57.106 58.100 0.140 0.000 1.028 68 Y CB 2.923 41.423 38.460 0.067 0.000 1.297 68 Y HN 0.608 nan 8.280 nan 0.000 0.463 69 R N 1.086 121.743 120.500 0.262 0.000 2.512 69 R HA 0.589 4.928 4.340 -0.000 0.000 0.291 69 R C -1.667 174.687 176.300 0.090 0.000 1.097 69 R CA -0.389 55.811 56.100 0.166 0.000 0.940 69 R CB 1.804 32.166 30.300 0.103 0.000 1.198 69 R HN 0.607 nan 8.270 nan 0.000 0.429 70 S N 3.230 118.960 115.700 0.050 0.000 2.449 70 S HA 0.431 4.900 4.470 -0.000 0.000 0.310 70 S C -1.151 173.459 174.600 0.017 0.000 1.096 70 S CA -0.562 57.643 58.200 0.008 0.000 1.095 70 S CB 0.764 63.935 63.200 -0.048 0.000 1.007 70 S HN 0.608 nan 8.310 nan 0.000 0.474 71 Q N 4.033 123.847 119.800 0.023 0.000 2.413 71 Q HA 0.251 4.591 4.340 -0.000 0.000 0.258 71 Q C 0.619 176.648 176.000 0.049 0.000 1.037 71 Q CA -0.674 55.145 55.803 0.026 0.000 0.764 71 Q CB 1.240 29.984 28.738 0.009 0.000 1.217 71 Q HN 0.873 nan 8.270 nan 0.000 0.490 72 H N 2.935 121.993 119.070 -0.020 0.000 2.284 72 H HA 0.041 4.597 4.556 -0.000 0.000 0.304 72 H C -0.106 175.234 175.328 0.020 0.000 1.069 72 H CA 1.100 57.143 56.048 -0.008 0.000 1.327 72 H CB 0.824 30.578 29.762 -0.013 0.000 1.387 72 H HN 0.501 nan 8.280 nan 0.000 0.498 73 N N 0.457 119.052 118.700 -0.174 0.000 2.452 73 N HA -0.022 4.718 4.740 -0.000 0.000 0.277 73 N C -1.752 173.780 175.510 0.036 0.000 1.078 73 N CA -0.193 52.775 53.050 -0.136 0.000 0.947 73 N CB 1.853 40.145 38.487 -0.325 0.000 1.655 73 N HN 0.389 nan 8.380 nan 0.000 0.490 74 D N 2.111 122.597 120.400 0.143 0.000 2.670 74 D HA 0.260 4.900 4.640 -0.000 0.000 0.255 74 D C 1.076 177.498 176.300 0.203 0.000 1.286 74 D CA -0.365 53.725 54.000 0.150 0.000 0.830 74 D CB 0.222 41.099 40.800 0.129 0.000 1.065 74 D HN 0.441 nan 8.370 nan 0.000 0.486 75 A N 0.045 122.959 122.820 0.156 0.000 1.902 75 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 75 A C 2.019 179.561 177.584 -0.070 0.000 1.181 75 A CA 1.356 53.324 52.037 -0.116 0.000 0.623 75 A CB -0.455 18.314 19.000 -0.385 0.000 0.818 75 A HN 0.230 nan 8.150 nan 0.000 0.443 76 V N -1.801 118.106 119.914 -0.012 0.000 3.354 76 V HA 0.403 4.522 4.120 -0.000 0.000 0.258 76 V C 1.139 177.258 176.094 0.043 0.000 1.159 76 V CA 1.082 63.380 62.300 -0.003 0.000 1.125 76 V CB -0.174 31.646 31.823 -0.005 0.000 0.774 76 V HN 0.904 nan 8.190 nan 0.000 0.464 77 G N -0.219 108.629 108.800 0.081 0.000 2.315 77 G HA2 0.287 4.247 3.960 -0.000 0.000 0.294 77 G HA3 0.287 4.247 3.960 -0.000 0.000 0.294 77 G C -3.329 171.641 174.900 0.117 0.000 1.300 77 G CA -0.639 44.537 45.100 0.127 0.000 0.843 77 G HN -0.124 nan 8.290 nan 0.000 0.527 78 P HA 0.268 nan 4.420 nan 0.000 0.270 78 P C 0.639 177.873 177.300 -0.111 0.000 1.223 78 P CA 0.258 63.368 63.100 0.017 0.000 0.785 78 P CB 0.461 32.165 31.700 0.007 0.000 0.923 79 T N -1.061 113.421 114.554 -0.119 0.000 2.868 79 T HA 0.472 4.822 4.350 -0.000 0.000 0.292 79 T C -0.150 174.336 174.700 -0.356 0.000 1.028 79 T CA -0.395 61.606 62.100 -0.164 0.000 1.059 79 T CB 0.624 69.450 68.868 -0.069 0.000 0.991 79 T HN 0.341 nan 8.240 nan 0.000 0.531 80 K N -0.102 120.084 120.400 -0.357 0.000 2.553 80 K HA 0.657 4.977 4.320 -0.000 0.000 0.250 80 K C -0.620 175.830 176.600 -0.251 0.000 0.953 80 K CA -0.015 55.982 56.287 -0.482 0.000 0.800 80 K CB 1.544 33.518 32.500 -0.876 0.000 1.243 80 K HN 1.296 nan 8.250 nan 0.000 0.435 81 G N 1.110 109.787 108.800 -0.205 0.000 2.361 81 G HA2 0.426 4.386 3.960 -0.000 0.000 0.299 81 G HA3 0.426 4.386 3.960 -0.000 0.000 0.299 81 G C -0.597 174.245 174.900 -0.096 0.000 1.544 81 G CA -0.352 44.675 45.100 -0.120 0.000 0.860 81 G HN 0.731 nan 8.290 nan 0.000 0.610 82 G N -1.538 107.217 108.800 -0.074 0.000 2.588 82 G HA2 0.629 4.589 3.960 -0.000 0.000 0.278 82 G HA3 0.629 4.589 3.960 -0.000 0.000 0.278 82 G C -0.587 174.286 174.900 -0.045 0.000 1.307 82 G CA -0.178 44.877 45.100 -0.076 0.000 1.016 82 G HN 1.320 nan 8.290 nan 0.000 0.503 83 V N 0.695 120.569 119.914 -0.066 0.000 2.588 83 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 83 V C -0.171 175.877 176.094 -0.076 0.000 1.042 83 V CA -0.881 61.394 62.300 -0.042 0.000 0.877 83 V CB 1.560 33.335 31.823 -0.079 0.000 0.996 83 V HN 0.913 nan 8.190 nan 0.000 0.425 84 R N 3.755 124.274 120.500 0.032 0.000 2.732 84 R HA 0.678 5.018 4.340 -0.000 0.000 0.278 84 R C -1.497 175.028 176.300 0.376 0.000 0.976 84 R CA -0.585 55.570 56.100 0.093 0.000 0.963 84 R CB 1.883 32.224 30.300 0.068 0.000 1.150 84 R HN 0.551 nan 8.270 nan 0.000 0.478 85 F N 2.309 122.314 119.950 0.092 0.000 2.403 85 F HA 0.381 4.908 4.527 -0.000 0.000 0.355 85 F C 0.144 176.129 175.800 0.307 0.000 1.119 85 F CA -0.761 57.316 58.000 0.130 0.000 1.007 85 F CB 1.413 40.475 39.000 0.103 0.000 1.194 85 F HN 0.487 nan 8.300 nan 0.000 0.443 86 H N 5.049 124.305 119.070 0.311 0.000 3.121 86 H HA 0.161 4.717 4.556 -0.000 0.000 0.337 86 H C -2.509 172.936 175.328 0.195 0.000 1.198 86 H CA -1.343 54.873 56.048 0.280 0.000 1.274 86 H CB 3.134 33.007 29.762 0.185 0.000 1.954 86 H HN 0.153 nan 8.280 nan 0.000 0.531 87 P HA -0.017 nan 4.420 nan 0.000 0.223 87 P C 0.416 177.835 177.300 0.199 0.000 1.151 87 P CA 1.049 64.194 63.100 0.075 0.000 0.787 87 P CB 0.358 32.043 31.700 -0.026 0.000 0.788 88 E N -0.707 119.743 120.200 0.417 0.000 2.437 88 E HA 0.085 4.435 4.350 -0.000 0.000 0.189 88 E C -0.002 176.720 176.600 0.204 0.000 1.054 88 E CA -0.293 56.286 56.400 0.299 0.000 0.874 88 E CB 0.017 29.890 29.700 0.289 0.000 1.011 88 E HN -0.010 nan 8.360 nan 0.000 0.474 89 V N 2.979 123.033 119.914 0.233 0.000 2.617 89 V HA -0.086 4.034 4.120 -0.000 0.000 0.304 89 V C 0.173 176.336 176.094 0.116 0.000 1.040 89 V CA 0.608 63.005 62.300 0.163 0.000 1.149 89 V CB -0.198 31.767 31.823 0.235 0.000 0.914 89 V HN 0.444 nan 8.190 nan 0.000 0.487 90 N N 1.743 120.424 118.700 -0.031 0.000 2.494 90 N HA 0.336 5.075 4.740 -0.000 0.000 0.270 90 N C 0.425 175.659 175.510 -0.459 0.000 1.285 90 N CA -0.887 52.068 53.050 -0.158 0.000 0.812 90 N CB 1.500 39.938 38.487 -0.083 0.000 1.557 90 N HN 0.391 nan 8.380 nan 0.000 0.487 91 E N 0.003 119.802 120.200 -0.668 0.000 2.086 91 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 91 E C 0.613 176.884 176.600 -0.549 0.000 1.012 91 E CA 1.762 57.694 56.400 -0.781 0.000 0.812 91 E CB -0.019 29.384 29.700 -0.495 0.000 0.743 91 E HN 0.632 nan 8.360 nan 0.000 0.453 92 E N 0.616 120.551 120.200 -0.442 0.000 2.051 92 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 92 E C 1.882 178.202 176.600 -0.466 0.000 0.991 92 E CA 1.334 57.422 56.400 -0.520 0.000 0.799 92 E CB -0.062 29.464 29.700 -0.289 0.000 0.748 92 E HN -0.007 nan 8.360 nan 0.000 0.449 93 K N -0.092 120.126 120.400 -0.305 0.000 2.097 93 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 93 K C 1.812 178.210 176.600 -0.336 0.000 1.049 93 K CA 1.064 57.189 56.287 -0.269 0.000 0.933 93 K CB -0.261 32.144 32.500 -0.159 0.000 0.717 93 K HN 0.003 nan 8.250 nan 0.000 0.442 94 V N 1.402 121.117 119.914 -0.332 0.000 2.343 94 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 94 V C 2.152 178.057 176.094 -0.315 0.000 1.051 94 V CA 2.034 64.165 62.300 -0.282 0.000 1.036 94 V CB -0.426 31.251 31.823 -0.244 0.000 0.654 94 V HN 0.365 nan 8.190 nan 0.000 0.451 95 K N 0.265 120.420 120.400 -0.408 0.000 2.009 95 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 95 K C 2.360 178.748 176.600 -0.353 0.000 1.049 95 K CA 1.577 57.624 56.287 -0.399 0.000 0.929 95 K CB -0.526 31.578 32.500 -0.660 0.000 0.714 95 K HN 0.461 nan 8.250 nan 0.000 0.440 96 A N 1.554 124.135 122.820 -0.398 0.000 1.892 96 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 96 A C 2.190 179.149 177.584 -1.041 0.000 1.188 96 A CA 1.515 53.265 52.037 -0.478 0.000 0.631 96 A CB -0.791 17.948 19.000 -0.436 0.000 0.822 96 A HN 0.185 nan 8.150 nan 0.000 0.447 97 L N 0.394 121.071 121.223 -0.910 0.000 2.046 97 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 97 L C 3.069 179.736 176.870 -0.339 0.000 1.077 97 L CA 1.656 56.091 54.840 -0.676 0.000 0.747 97 L CB -0.459 41.403 42.059 -0.328 0.000 0.896 97 L HN 0.643 nan 8.230 nan 0.000 0.432 98 S N 0.073 115.606 115.700 -0.279 0.000 2.383 98 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 98 S C 1.919 176.405 174.600 -0.191 0.000 1.030 98 S CA 1.282 59.388 58.200 -0.156 0.000 1.002 98 S CB -0.745 62.406 63.200 -0.081 0.000 0.829 98 S HN 0.401 nan 8.310 nan 0.000 0.467 99 I N -0.266 120.079 120.570 -0.375 0.000 2.252 99 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 99 I C 2.427 178.454 176.117 -0.151 0.000 1.102 99 I CA 1.050 62.054 61.300 -0.493 0.000 1.385 99 I CB -0.500 37.200 38.000 -0.500 0.000 1.064 99 I HN 0.339 nan 8.210 nan 0.000 0.414 100 W N 0.478 121.670 121.300 -0.180 0.000 2.342 100 W HA -0.184 4.476 4.660 -0.000 0.000 0.297 100 W C 2.514 178.946 176.519 -0.146 0.000 1.213 100 W CA 0.727 57.967 57.345 -0.176 0.000 1.251 100 W CB -1.047 28.345 29.460 -0.114 0.000 1.136 100 W HN 0.154 nan 8.180 nan 0.000 0.526 101 M N -0.271 119.382 119.600 0.089 0.000 2.132 101 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 101 M C 1.883 178.194 176.300 0.019 0.000 1.065 101 M CA 1.593 56.913 55.300 0.034 0.000 1.122 101 M CB -1.973 30.624 32.600 -0.006 0.000 1.365 101 M HN -0.101 nan 8.290 nan 0.000 0.411 102 T N 1.720 116.293 114.554 0.031 0.000 2.699 102 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 102 T C 2.012 176.720 174.700 0.014 0.000 1.036 102 T CA 1.253 63.392 62.100 0.066 0.000 1.147 102 T CB -0.326 68.666 68.868 0.206 0.000 0.862 102 T HN 0.315 nan 8.240 nan 0.000 0.446 103 L N 0.207 121.412 121.223 -0.031 0.000 2.027 103 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 103 L C 2.650 179.477 176.870 -0.071 0.000 1.074 103 L CA 1.337 56.120 54.840 -0.095 0.000 0.745 103 L CB -0.464 41.449 42.059 -0.243 0.000 0.898 103 L HN 0.181 nan 8.230 nan 0.000 0.433 104 K N -0.498 119.874 120.400 -0.048 0.000 2.063 104 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 104 K C 2.219 178.794 176.600 -0.042 0.000 1.048 104 K CA 1.715 57.977 56.287 -0.043 0.000 0.928 104 K CB -0.434 32.051 32.500 -0.024 0.000 0.713 104 K HN 0.353 nan 8.250 nan 0.000 0.442 105 C N 0.128 119.412 119.300 -0.027 0.000 2.429 105 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 105 C C 2.808 177.761 174.990 -0.062 0.000 1.262 105 C CA 1.008 60.003 59.018 -0.038 0.000 1.733 105 C CB -1.290 26.460 27.740 0.017 0.000 2.010 105 C HN 0.710 nan 8.230 nan 0.000 0.483 106 G N 0.363 109.140 108.800 -0.039 0.000 2.418 106 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 106 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 106 G C 1.492 176.368 174.900 -0.041 0.000 1.158 106 G CA 0.740 45.818 45.100 -0.037 0.000 0.771 106 G HN 0.539 nan 8.290 nan 0.000 0.545 107 I N 1.211 121.754 120.570 -0.043 0.000 2.226 107 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 107 I C 3.032 179.130 176.117 -0.031 0.000 1.100 107 I CA 1.101 62.380 61.300 -0.035 0.000 1.374 107 I CB -0.038 37.936 38.000 -0.043 0.000 1.057 107 I HN 0.248 nan 8.210 nan 0.000 0.413 108 A N -0.081 122.709 122.820 -0.049 0.000 2.238 108 A HA -0.048 4.271 4.320 -0.000 0.000 0.208 108 A C 0.986 178.522 177.584 -0.080 0.000 1.177 108 A CA 0.412 52.416 52.037 -0.055 0.000 0.804 108 A CB -0.406 18.544 19.000 -0.083 0.000 0.823 108 A HN 0.589 nan 8.150 nan 0.000 0.482 109 N N -0.988 117.660 118.700 -0.087 0.000 2.756 109 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 109 N C -0.682 174.708 175.510 -0.201 0.000 1.062 109 N CA 0.667 53.658 53.050 -0.098 0.000 0.696 109 N CB -1.999 36.462 38.487 -0.045 0.000 0.946 109 N HN 0.487 nan 8.380 nan 0.000 0.548 110 L N 0.112 121.151 121.223 -0.305 0.000 2.360 110 L HA 0.566 4.906 4.340 -0.000 0.000 0.271 110 L C -1.327 175.253 176.870 -0.483 0.000 1.057 110 L CA -1.837 52.629 54.840 -0.624 0.000 0.803 110 L CB 1.086 42.666 42.059 -0.799 0.000 1.207 110 L HN 0.054 nan 8.230 nan 0.000 0.445 111 P HA 0.141 nan 4.420 nan 0.000 0.220 111 P C -1.440 175.758 177.300 -0.170 0.000 1.806 111 P CA 0.184 63.124 63.100 -0.267 0.000 0.976 111 P CB -0.216 31.420 31.700 -0.107 0.000 1.952 112 Y N -0.358 119.840 120.300 -0.170 0.000 2.562 112 Y HA 0.586 5.136 4.550 -0.000 0.000 0.345 112 Y C 0.842 176.679 175.900 -0.105 0.000 1.045 112 Y CA -1.333 56.663 58.100 -0.173 0.000 1.028 112 Y CB 1.780 40.098 38.460 -0.237 0.000 1.297 112 Y HN 0.110 nan 8.280 nan 0.000 0.463 113 G N -0.206 108.647 108.800 0.089 0.000 2.642 113 G HA2 0.548 4.508 3.960 -0.000 0.000 0.291 113 G HA3 0.548 4.508 3.960 -0.000 0.000 0.291 113 G C -0.479 174.430 174.900 0.015 0.000 1.345 113 G CA -0.654 44.481 45.100 0.058 0.000 1.043 113 G HN 0.813 nan 8.290 nan 0.000 0.528 114 G N -1.407 107.430 108.800 0.062 0.000 2.332 114 G HA2 0.598 4.558 3.960 -0.000 0.000 0.310 114 G HA3 0.598 4.558 3.960 -0.000 0.000 0.310 114 G C -0.186 174.723 174.900 0.016 0.000 1.123 114 G CA 0.193 45.312 45.100 0.031 0.000 0.873 114 G HN 0.902 nan 8.290 nan 0.000 0.460 115 G N 0.383 109.157 108.800 -0.043 0.000 2.571 115 G HA2 0.632 4.591 3.960 -0.000 0.000 0.304 115 G HA3 0.632 4.591 3.960 -0.000 0.000 0.304 115 G C -1.373 173.500 174.900 -0.044 0.000 1.314 115 G CA -0.720 44.357 45.100 -0.038 0.000 0.975 115 G HN 0.659 nan 8.290 nan 0.000 0.485 116 K N -0.392 119.994 120.400 -0.023 0.000 2.546 116 K HA 0.719 5.039 4.320 -0.000 0.000 0.264 116 K C -0.200 176.426 176.600 0.043 0.000 0.937 116 K CA -0.265 56.011 56.287 -0.018 0.000 0.833 116 K CB 2.268 34.729 32.500 -0.065 0.000 1.378 116 K HN 0.975 nan 8.250 nan 0.000 0.432 117 G N -0.085 108.766 108.800 0.085 0.000 2.680 117 G HA2 0.807 4.767 3.960 -0.000 0.000 0.290 117 G HA3 0.807 4.767 3.960 -0.000 0.000 0.290 117 G C -1.061 173.930 174.900 0.152 0.000 1.355 117 G CA -0.611 44.605 45.100 0.194 0.000 0.903 117 G HN 0.739 nan 8.290 nan 0.000 0.474 118 G N -1.271 107.662 108.800 0.222 0.000 2.601 118 G HA2 0.565 4.525 3.960 -0.000 0.000 0.291 118 G HA3 0.565 4.525 3.960 -0.000 0.000 0.291 118 G C -1.656 173.346 174.900 0.170 0.000 1.456 118 G CA -0.677 44.535 45.100 0.187 0.000 0.804 118 G HN 0.685 nan 8.290 nan 0.000 0.499 119 I N 0.633 121.259 120.570 0.094 0.000 2.533 119 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 119 I C -0.338 175.812 176.117 0.055 0.000 1.056 119 I CA -0.803 60.470 61.300 -0.046 0.000 1.057 119 I CB 2.443 40.187 38.000 -0.426 0.000 1.240 119 I HN 0.273 nan 8.210 nan 0.000 0.423 120 I N 6.334 126.969 120.570 0.110 0.000 2.311 120 I HA 0.176 4.346 4.170 -0.000 0.000 0.297 120 I C -0.015 176.215 176.117 0.189 0.000 1.131 120 I CA 0.078 61.474 61.300 0.160 0.000 1.289 120 I CB -0.221 37.870 38.000 0.151 0.000 1.446 120 I HN 0.670 nan 8.210 nan 0.000 0.524 121 C N 2.105 121.497 119.300 0.153 0.000 3.321 121 C HA 0.527 4.986 4.460 -0.000 0.000 0.329 121 C C -0.974 174.082 174.990 0.111 0.000 1.394 121 C CA -0.969 58.158 59.018 0.183 0.000 1.291 121 C CB 1.882 29.657 27.740 0.058 0.000 1.606 121 C HN 0.632 nan 8.230 nan 0.000 0.463 122 D N 1.318 121.776 120.400 0.096 0.000 2.464 122 D HA 0.500 5.140 4.640 -0.000 0.000 0.243 122 D C -1.683 174.627 176.300 0.016 0.000 1.104 122 D CA -1.824 52.194 54.000 0.030 0.000 0.883 122 D CB 1.610 42.410 40.800 0.001 0.000 1.050 122 D HN 0.342 nan 8.370 nan 0.000 0.524 123 P HA -0.046 nan 4.420 nan 0.000 0.220 123 P C 1.181 178.439 177.300 -0.069 0.000 1.148 123 P CA 0.641 63.745 63.100 0.007 0.000 0.803 123 P CB 0.348 32.080 31.700 0.053 0.000 0.782 124 R N -0.320 120.065 120.500 -0.191 0.000 2.170 124 R HA -0.091 4.249 4.340 -0.000 0.000 0.242 124 R C 1.550 177.840 176.300 -0.016 0.000 1.145 124 R CA 1.929 57.963 56.100 -0.109 0.000 0.984 124 R CB -1.168 29.066 30.300 -0.109 0.000 0.869 124 R HN 0.338 nan 8.270 nan 0.000 0.455 125 T N -3.159 111.393 114.554 -0.005 0.000 3.215 125 T HA 0.388 4.737 4.350 -0.000 0.000 0.271 125 T C 0.303 175.024 174.700 0.035 0.000 1.012 125 T CA -0.380 61.729 62.100 0.015 0.000 0.899 125 T CB 0.161 69.036 68.868 0.012 0.000 1.089 125 T HN -0.104 nan 8.240 nan 0.000 0.552 126 M N 1.914 121.546 119.600 0.053 0.000 2.602 126 M HA 0.549 5.029 4.480 -0.000 0.000 0.312 126 M C 0.203 176.561 176.300 0.096 0.000 1.181 126 M CA -0.943 54.402 55.300 0.075 0.000 0.910 126 M CB 2.510 35.161 32.600 0.085 0.000 1.723 126 M HN 0.238 nan 8.290 nan 0.000 0.459 127 S N 0.539 116.289 115.700 0.084 0.000 2.624 127 S HA 0.372 4.842 4.470 -0.000 0.000 0.263 127 S C 0.844 175.610 174.600 0.278 0.000 1.287 127 S CA -0.613 57.642 58.200 0.091 0.000 0.990 127 S CB 0.402 63.620 63.200 0.030 0.000 0.950 127 S HN 0.699 nan 8.310 nan 0.000 0.561 128 F N 0.629 120.625 119.950 0.077 0.000 2.126 128 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 128 F C 2.807 178.610 175.800 0.006 0.000 1.096 128 F CA 0.697 58.783 58.000 0.144 0.000 1.255 128 F CB -0.833 38.283 39.000 0.194 0.000 0.997 128 F HN 0.840 nan 8.300 nan 0.000 0.479 129 G N -0.016 108.877 108.800 0.156 0.000 2.421 129 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 129 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 129 G C 1.339 176.188 174.900 -0.085 0.000 1.171 129 G CA 0.857 45.936 45.100 -0.035 0.000 0.775 129 G HN 0.336 nan 8.290 nan 0.000 0.543 130 E N -0.011 120.188 120.200 -0.001 0.000 2.072 130 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 130 E C 2.582 179.153 176.600 -0.049 0.000 0.985 130 E CA 0.361 56.751 56.400 -0.017 0.000 0.801 130 E CB -0.188 29.530 29.700 0.031 0.000 0.750 130 E HN 0.357 nan 8.360 nan 0.000 0.452 131 L N 0.990 122.234 121.223 0.036 0.000 2.079 131 L HA -0.243 4.096 4.340 -0.000 0.000 0.210 131 L C 2.646 179.533 176.870 0.030 0.000 1.081 131 L CA 1.361 56.270 54.840 0.116 0.000 0.752 131 L CB -0.306 41.942 42.059 0.315 0.000 0.896 131 L HN 0.203 nan 8.230 nan 0.000 0.433 132 E N 0.218 120.202 120.200 -0.360 0.000 2.047 132 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 132 E C 2.365 178.742 176.600 -0.372 0.000 0.987 132 E CA 1.017 56.908 56.400 -0.849 0.000 0.799 132 E CB 0.103 28.850 29.700 -1.589 0.000 0.752 132 E HN 0.367 nan 8.360 nan 0.000 0.449 133 R N 0.012 120.355 120.500 -0.262 0.000 2.092 133 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 133 R C 2.520 178.758 176.300 -0.103 0.000 1.119 133 R CA 0.996 57.003 56.100 -0.154 0.000 0.970 133 R CB -0.333 29.901 30.300 -0.110 0.000 0.864 133 R HN 0.222 nan 8.270 nan 0.000 0.440 134 L N 0.734 121.871 121.223 -0.142 0.000 2.093 134 L HA -0.082 4.257 4.340 -0.000 0.000 0.208 134 L C 1.917 178.757 176.870 -0.050 0.000 1.085 134 L CA 1.750 56.460 54.840 -0.217 0.000 0.755 134 L CB -0.343 41.411 42.059 -0.508 0.000 0.904 134 L HN -0.026 nan 8.230 nan 0.000 0.435 135 S N -0.282 115.477 115.700 0.099 0.000 2.368 135 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 135 S C 1.979 176.732 174.600 0.255 0.000 1.030 135 S CA 1.396 59.775 58.200 0.298 0.000 0.999 135 S CB -0.310 63.141 63.200 0.418 0.000 0.844 135 S HN 0.478 nan 8.310 nan 0.000 0.459 136 R N 0.645 121.227 120.500 0.136 0.000 2.075 136 R HA -0.024 4.316 4.340 -0.000 0.000 0.232 136 R C 2.684 179.044 176.300 0.100 0.000 1.126 136 R CA 1.182 57.349 56.100 0.110 0.000 0.963 136 R CB -0.773 29.540 30.300 0.021 0.000 0.858 136 R HN 0.474 nan 8.270 nan 0.000 0.435 137 G N 0.213 109.054 108.800 0.069 0.000 2.422 137 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.218 137 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.218 137 G C 1.215 176.180 174.900 0.107 0.000 1.146 137 G CA 0.486 45.621 45.100 0.060 0.000 0.769 137 G HN 0.313 nan 8.290 nan 0.000 0.547 138 Y N 1.266 121.584 120.300 0.030 0.000 2.128 138 Y HA -0.148 4.402 4.550 -0.000 0.000 0.284 138 Y C 2.830 178.794 175.900 0.108 0.000 1.154 138 Y CA 1.624 59.762 58.100 0.063 0.000 1.149 138 Y CB -0.347 38.175 38.460 0.102 0.000 0.976 138 Y HN 0.045 nan 8.280 nan 0.000 0.505 139 V N 0.528 120.549 119.914 0.178 0.000 2.295 139 V HA -0.308 3.811 4.120 -0.000 0.000 0.246 139 V C 2.334 178.439 176.094 0.018 0.000 1.049 139 V CA 2.342 64.718 62.300 0.127 0.000 1.024 139 V CB -0.606 31.361 31.823 0.239 0.000 0.648 139 V HN 0.307 nan 8.190 nan 0.000 0.447 140 R N 0.140 120.650 120.500 0.018 0.000 2.152 140 R HA -0.072 4.267 4.340 -0.000 0.000 0.232 140 R C 2.280 178.554 176.300 -0.043 0.000 1.117 140 R CA 1.339 57.424 56.100 -0.025 0.000 0.981 140 R CB -0.470 29.820 30.300 -0.017 0.000 0.870 140 R HN 0.557 nan 8.270 nan 0.000 0.451 141 A N 1.020 123.809 122.820 -0.052 0.000 1.970 141 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 141 A C 1.979 179.503 177.584 -0.101 0.000 1.170 141 A CA 0.927 52.923 52.037 -0.069 0.000 0.645 141 A CB -0.215 18.749 19.000 -0.059 0.000 0.816 141 A HN 0.436 nan 8.150 nan 0.000 0.447 142 I N -2.496 117.981 120.570 -0.156 0.000 4.018 142 I HA 0.125 4.295 4.170 -0.000 0.000 0.337 142 I C 1.741 177.824 176.117 -0.056 0.000 1.327 142 I CA 0.935 62.148 61.300 -0.145 0.000 1.100 142 I CB 0.200 38.023 38.000 -0.296 0.000 1.025 142 I HN 0.146 nan 8.210 nan 0.000 0.396 143 S N 0.875 116.553 115.700 -0.037 0.000 2.419 143 S HA -0.225 4.245 4.470 -0.000 0.000 0.235 143 S C 1.802 176.416 174.600 0.023 0.000 1.019 143 S CA 1.264 59.472 58.200 0.015 0.000 0.982 143 S CB -0.736 62.418 63.200 -0.077 0.000 0.789 143 S HN 0.699 nan 8.310 nan 0.000 0.490 144 Q N 0.774 120.567 119.800 -0.010 0.000 2.364 144 Q HA 0.079 4.419 4.340 -0.000 0.000 0.209 144 Q C 1.851 177.866 176.000 0.024 0.000 0.977 144 Q CA 1.408 57.210 55.803 -0.001 0.000 0.885 144 Q CB -0.469 28.260 28.738 -0.015 0.000 0.941 144 Q HN 0.999 nan 8.270 nan 0.000 0.464 145 I N -4.916 115.673 120.570 0.031 0.000 4.147 145 I HA 0.316 4.486 4.170 -0.000 0.000 0.329 145 I C -0.123 176.030 176.117 0.060 0.000 1.424 145 I CA -0.450 60.872 61.300 0.035 0.000 1.127 145 I CB 0.961 38.969 38.000 0.014 0.000 1.128 145 I HN -0.241 nan 8.210 nan 0.000 0.417 146 V N 1.046 121.015 119.914 0.091 0.000 3.102 146 V HA 0.986 5.106 4.120 -0.000 0.000 0.312 146 V C 0.239 176.402 176.094 0.115 0.000 1.135 146 V CA 0.109 62.482 62.300 0.122 0.000 1.022 146 V CB 1.817 33.734 31.823 0.156 0.000 1.056 146 V HN 0.561 nan 8.190 nan 0.000 0.436 147 G N 2.940 111.801 108.800 0.102 0.000 2.359 147 G HA2 0.173 4.133 3.960 -0.000 0.000 0.314 147 G HA3 0.173 4.133 3.960 -0.000 0.000 0.314 147 G C -2.954 172.067 174.900 0.201 0.000 1.364 147 G CA -0.101 45.015 45.100 0.026 0.000 0.978 147 G HN 0.433 nan 8.290 nan 0.000 0.615 148 P HA -0.047 nan 4.420 nan 0.000 0.218 148 P C 1.783 179.374 177.300 0.484 0.000 1.146 148 P CA 2.707 66.058 63.100 0.418 0.000 0.813 148 P CB 0.069 31.973 31.700 0.340 0.000 0.778 149 T N -5.923 108.829 114.554 0.330 0.000 3.054 149 T HA 0.272 4.622 4.350 -0.000 0.000 0.255 149 T C 1.359 176.190 174.700 0.218 0.000 1.035 149 T CA 0.071 62.355 62.100 0.306 0.000 0.941 149 T CB 0.046 69.053 68.868 0.232 0.000 1.026 149 T HN 0.066 nan 8.240 nan 0.000 0.533 150 K N 0.409 120.910 120.400 0.168 0.000 2.309 150 K HA 0.280 4.599 4.320 -0.000 0.000 0.210 150 K C -0.584 176.038 176.600 0.037 0.000 1.114 150 K CA 0.254 56.604 56.287 0.104 0.000 0.912 150 K CB 0.562 33.126 32.500 0.106 0.000 1.198 150 K HN 0.190 nan 8.250 nan 0.000 0.471 151 D N 0.052 120.463 120.400 0.018 0.000 2.614 151 D HA 0.259 4.899 4.640 -0.000 0.000 0.203 151 D C -1.855 174.404 176.300 -0.068 0.000 1.312 151 D CA -0.330 53.638 54.000 -0.053 0.000 0.889 151 D CB 0.881 41.681 40.800 -0.001 0.000 1.615 151 D HN -0.023 nan 8.370 nan 0.000 0.567 152 I N 5.308 125.746 120.570 -0.220 0.000 2.420 152 I HA 0.401 4.571 4.170 -0.000 0.000 0.282 152 I C -2.130 173.798 176.117 -0.316 0.000 1.019 152 I CA -1.727 59.407 61.300 -0.276 0.000 1.130 152 I CB 1.867 39.650 38.000 -0.361 0.000 1.262 152 I HN 0.152 nan 8.210 nan 0.000 0.454 153 P HA 0.633 nan 4.420 nan 0.000 0.307 153 P C -0.767 176.383 177.300 -0.250 0.000 1.306 153 P CA -0.433 62.512 63.100 -0.259 0.000 0.742 153 P CB 0.812 32.392 31.700 -0.200 0.000 1.349 154 A N -2.205 120.505 122.820 -0.184 0.000 2.515 154 A HA 0.632 4.952 4.320 -0.000 0.000 0.292 154 A C -3.044 174.455 177.584 -0.142 0.000 1.065 154 A CA -1.052 50.892 52.037 -0.155 0.000 0.641 154 A CB 0.184 19.108 19.000 -0.126 0.000 1.306 154 A HN 0.218 nan 8.150 nan 0.000 0.441 155 P HA 0.579 nan 4.420 nan 0.000 0.276 155 P C -0.744 176.488 177.300 -0.112 0.000 1.252 155 P CA 0.168 63.183 63.100 -0.142 0.000 0.802 155 P CB 0.924 32.549 31.700 -0.124 0.000 1.035 156 D N -0.919 119.409 120.400 -0.121 0.000 3.650 156 D HA 0.104 4.744 4.640 -0.000 0.000 0.341 156 D C -0.997 175.245 176.300 -0.096 0.000 1.479 156 D CA -0.317 53.630 54.000 -0.090 0.000 0.963 156 D CB 0.731 41.487 40.800 -0.074 0.000 1.449 156 D HN -0.057 nan 8.370 nan 0.000 0.601 157 V N 2.697 122.552 119.914 -0.100 0.000 2.509 157 V HA -0.047 4.073 4.120 -0.000 0.000 0.297 157 V C 0.062 176.115 176.094 -0.069 0.000 1.014 157 V CA 0.628 62.829 62.300 -0.164 0.000 1.127 157 V CB -0.981 30.708 31.823 -0.222 0.000 0.925 157 V HN 0.592 nan 8.190 nan 0.000 0.480 158 Y N 2.296 122.617 120.300 0.036 0.000 3.978 158 Y HA -0.218 4.332 4.550 -0.000 0.000 0.219 158 Y C 0.924 176.736 175.900 -0.147 0.000 1.153 158 Y CA 0.942 59.054 58.100 0.020 0.000 1.718 158 Y CB -2.557 35.985 38.460 0.136 0.000 1.541 158 Y HN 0.913 nan 8.280 nan 0.000 0.640 159 T N -1.604 112.881 114.554 -0.115 0.000 2.916 159 T HA 0.807 5.156 4.350 -0.000 0.000 0.292 159 T C -0.151 174.436 174.700 -0.190 0.000 1.055 159 T CA -0.218 61.701 62.100 -0.302 0.000 1.009 159 T CB 3.402 71.928 68.868 -0.570 0.000 1.118 159 T HN 0.351 nan 8.240 nan 0.000 0.497 160 N N -0.757 117.814 118.700 -0.216 0.000 3.243 160 N HA 0.312 5.052 4.740 -0.000 0.000 0.280 160 N C 1.018 176.401 175.510 -0.211 0.000 1.545 160 N CA -0.241 52.705 53.050 -0.174 0.000 0.854 160 N CB 0.741 39.138 38.487 -0.150 0.000 1.612 160 N HN 0.657 nan 8.380 nan 0.000 0.577 161 S N -1.343 114.243 115.700 -0.191 0.000 2.419 161 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 161 S C 1.525 175.946 174.600 -0.298 0.000 1.016 161 S CA 1.632 59.711 58.200 -0.202 0.000 0.974 161 S CB -0.371 62.735 63.200 -0.156 0.000 0.786 161 S HN 0.640 nan 8.310 nan 0.000 0.492 162 Q N 1.275 120.828 119.800 -0.411 0.000 2.079 162 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 162 Q C 1.953 177.444 176.000 -0.849 0.000 0.974 162 Q CA 1.616 56.991 55.803 -0.712 0.000 0.840 162 Q CB -0.489 27.744 28.738 -0.842 0.000 0.898 162 Q HN 0.561 nan 8.270 nan 0.000 0.430 163 I N 0.121 120.384 120.570 -0.512 0.000 2.226 163 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 163 I C 2.004 178.061 176.117 -0.101 0.000 1.100 163 I CA 1.180 62.361 61.300 -0.199 0.000 1.374 163 I CB -1.066 36.807 38.000 -0.212 0.000 1.057 163 I HN 0.353 nan 8.210 nan 0.000 0.413 164 M N 0.671 120.167 119.600 -0.173 0.000 2.108 164 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 164 M C 2.534 178.798 176.300 -0.059 0.000 1.066 164 M CA 1.940 57.172 55.300 -0.113 0.000 1.107 164 M CB -1.599 30.916 32.600 -0.141 0.000 1.356 164 M HN 0.255 nan 8.290 nan 0.000 0.406 165 A N -0.566 122.165 122.820 -0.148 0.000 1.933 165 A HA -0.169 4.150 4.320 -0.000 0.000 0.218 165 A C 1.968 179.590 177.584 0.063 0.000 1.175 165 A CA 1.191 53.168 52.037 -0.101 0.000 0.628 165 A CB -0.908 17.951 19.000 -0.235 0.000 0.814 165 A HN 0.583 nan 8.150 nan 0.000 0.444 166 W N -0.421 120.896 121.300 0.028 0.000 2.418 166 W HA -0.004 4.655 4.660 -0.000 0.000 0.292 166 W C 2.344 178.930 176.519 0.111 0.000 1.213 166 W CA 0.888 58.267 57.345 0.056 0.000 1.283 166 W CB -0.928 28.558 29.460 0.043 0.000 1.119 166 W HN 0.325 nan 8.180 nan 0.000 0.542 167 M N -0.719 119.097 119.600 0.361 0.000 2.200 167 M HA -0.192 4.288 4.480 -0.000 0.000 0.265 167 M C 2.336 178.914 176.300 0.463 0.000 1.066 167 M CA 1.301 56.838 55.300 0.394 0.000 1.127 167 M CB -0.675 32.142 32.600 0.362 0.000 1.379 167 M HN -0.172 nan 8.290 nan 0.000 0.420 168 M N 0.597 120.409 119.600 0.353 0.000 2.086 168 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 168 M C 1.484 177.957 176.300 0.289 0.000 1.067 168 M CA 2.299 57.826 55.300 0.378 0.000 1.116 168 M CB -0.561 32.165 32.600 0.210 0.000 1.348 168 M HN 0.227 nan 8.290 nan 0.000 0.407 169 D N -0.225 120.310 120.400 0.226 0.000 2.123 169 D HA -0.254 4.386 4.640 -0.000 0.000 0.196 169 D C 1.820 178.199 176.300 0.131 0.000 0.992 169 D CA 1.836 55.935 54.000 0.165 0.000 0.833 169 D CB 0.005 40.914 40.800 0.182 0.000 0.954 169 D HN 0.425 nan 8.370 nan 0.000 0.455 170 E N -1.148 119.149 120.200 0.162 0.000 2.072 170 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 170 E C 1.853 178.461 176.600 0.013 0.000 0.985 170 E CA 0.939 57.392 56.400 0.087 0.000 0.801 170 E CB -0.603 29.166 29.700 0.115 0.000 0.750 170 E HN 0.506 nan 8.360 nan 0.000 0.452 171 Y N 0.637 120.892 120.300 -0.075 0.000 2.128 171 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 171 Y C 2.407 178.160 175.900 -0.244 0.000 1.154 171 Y CA 2.149 60.080 58.100 -0.281 0.000 1.149 171 Y CB -0.434 37.650 38.460 -0.627 0.000 0.976 171 Y HN 0.041 nan 8.280 nan 0.000 0.505 172 S N -0.167 115.520 115.700 -0.021 0.000 2.383 172 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 172 S C 1.952 176.427 174.600 -0.208 0.000 1.030 172 S CA 1.461 59.582 58.200 -0.132 0.000 1.002 172 S CB -0.351 62.852 63.200 0.005 0.000 0.829 172 S HN 0.299 nan 8.310 nan 0.000 0.467 173 R N 1.430 121.850 120.500 -0.134 0.000 2.075 173 R HA 0.127 4.467 4.340 -0.000 0.000 0.232 173 R C 2.062 178.249 176.300 -0.188 0.000 1.126 173 R CA 1.059 57.086 56.100 -0.121 0.000 0.963 173 R CB -0.803 29.457 30.300 -0.067 0.000 0.858 173 R HN 0.402 nan 8.270 nan 0.000 0.435 174 L N -0.005 121.058 121.223 -0.267 0.000 2.042 174 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 174 L C 2.171 178.829 176.870 -0.354 0.000 1.076 174 L CA 1.312 55.967 54.840 -0.310 0.000 0.749 174 L CB -0.435 41.381 42.059 -0.405 0.000 0.893 174 L HN 0.126 nan 8.230 nan 0.000 0.432 175 R N 0.312 120.510 120.500 -0.503 0.000 2.246 175 R HA 0.003 4.343 4.340 -0.000 0.000 0.199 175 R C 0.383 176.446 176.300 -0.396 0.000 0.984 175 R CA 0.205 55.964 56.100 -0.568 0.000 1.015 175 R CB -0.151 29.513 30.300 -1.060 0.000 0.930 175 R HN 0.390 nan 8.270 nan 0.000 0.475 176 E N -0.575 119.468 120.200 -0.261 0.000 3.070 176 E HA -0.215 4.135 4.350 -0.000 0.000 0.285 176 E C -0.998 175.658 176.600 0.093 0.000 0.972 176 E CA 1.005 57.373 56.400 -0.054 0.000 0.915 176 E CB -1.770 27.948 29.700 0.030 0.000 1.466 176 E HN 0.376 nan 8.360 nan 0.000 0.432 177 F N -2.319 117.629 119.950 -0.004 0.000 2.665 177 F HA 0.477 5.004 4.527 -0.000 0.000 0.308 177 F C -0.560 175.269 175.800 0.049 0.000 1.112 177 F CA -1.719 56.294 58.000 0.022 0.000 0.972 177 F CB 0.971 39.986 39.000 0.025 0.000 1.295 177 F HN -0.380 nan 8.300 nan 0.000 0.440 178 D N 1.918 122.443 120.400 0.209 0.000 2.581 178 D HA 0.156 4.796 4.640 -0.000 0.000 0.238 178 D C -0.247 176.208 176.300 0.258 0.000 1.145 178 D CA 0.650 54.754 54.000 0.173 0.000 0.866 178 D CB 0.905 41.800 40.800 0.158 0.000 1.151 178 D HN 0.595 nan 8.370 nan 0.000 0.500 179 S N 3.812 119.632 115.700 0.199 0.000 2.062 179 S HA 0.195 4.665 4.470 -0.000 0.000 0.163 179 S C -1.666 173.092 174.600 0.264 0.000 1.612 179 S CA -0.987 57.373 58.200 0.268 0.000 1.251 179 S CB 1.412 64.773 63.200 0.268 0.000 1.174 179 S HN 0.335 nan 8.310 nan 0.000 0.428 180 P HA -0.052 nan 4.420 nan 0.000 0.216 180 P C 1.724 179.129 177.300 0.175 0.000 1.153 180 P CA 0.997 64.201 63.100 0.173 0.000 0.848 180 P CB -0.179 31.609 31.700 0.148 0.000 0.787 181 G N -0.687 108.219 108.800 0.177 0.000 2.564 181 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.216 181 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.216 181 G C 1.207 176.302 174.900 0.324 0.000 1.124 181 G CA 0.044 45.280 45.100 0.228 0.000 0.764 181 G HN 0.182 nan 8.290 nan 0.000 0.550 182 F N 0.382 120.363 119.950 0.051 0.000 2.202 182 F HA 0.234 4.761 4.527 -0.000 0.000 0.301 182 F C 0.664 176.410 175.800 -0.091 0.000 1.082 182 F CA 0.115 58.030 58.000 -0.142 0.000 1.313 182 F CB 0.130 38.863 39.000 -0.445 0.000 1.024 182 F HN 0.055 nan 8.300 nan 0.000 0.495 183 I N 0.262 120.645 120.570 -0.311 0.000 2.722 183 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 183 I C -0.545 175.470 176.117 -0.169 0.000 1.267 183 I CA -0.457 60.554 61.300 -0.481 0.000 1.036 183 I CB 1.823 39.335 38.000 -0.812 0.000 1.281 183 I HN 0.069 nan 8.210 nan 0.000 0.423 184 T N 1.712 116.179 114.554 -0.147 0.000 2.937 184 T HA 0.677 5.027 4.350 -0.000 0.000 0.283 184 T C 0.757 175.406 174.700 -0.085 0.000 1.012 184 T CA -0.002 62.061 62.100 -0.061 0.000 0.997 184 T CB 1.499 70.355 68.868 -0.020 0.000 1.136 184 T HN 1.455 nan 8.240 nan 0.000 0.551 185 G N 0.669 109.436 108.800 -0.054 0.000 2.147 185 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 185 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 185 G C -0.117 174.737 174.900 -0.077 0.000 1.005 185 G CA 0.240 45.300 45.100 -0.066 0.000 0.713 185 G HN 0.899 nan 8.290 nan 0.000 0.515 186 K N 0.350 120.714 120.400 -0.060 0.000 2.107 186 K HA 0.459 4.779 4.320 -0.000 0.000 0.251 186 K C -2.332 174.224 176.600 -0.074 0.000 1.012 186 K CA -1.915 54.329 56.287 -0.071 0.000 0.920 186 K CB 0.625 33.099 32.500 -0.043 0.000 1.033 186 K HN -0.004 nan 8.250 nan 0.000 0.478 187 P HA -0.082 nan 4.420 nan 0.000 0.266 187 P C 0.558 177.805 177.300 -0.089 0.000 1.195 187 P CA -0.139 62.905 63.100 -0.092 0.000 0.768 187 P CB 0.360 31.998 31.700 -0.105 0.000 0.838 188 L N 4.287 125.457 121.223 -0.088 0.000 2.051 188 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 188 L C 2.118 178.890 176.870 -0.164 0.000 1.076 188 L CA 2.021 56.792 54.840 -0.114 0.000 0.758 188 L CB -1.566 40.438 42.059 -0.093 0.000 0.890 188 L HN 0.310 nan 8.230 nan 0.000 0.433 189 V N -4.202 115.635 119.914 -0.129 0.000 3.217 189 V HA -0.067 4.052 4.120 -0.000 0.000 0.264 189 V C 1.739 177.755 176.094 -0.131 0.000 1.135 189 V CA 0.787 63.007 62.300 -0.133 0.000 1.142 189 V CB -0.671 31.099 31.823 -0.088 0.000 0.754 189 V HN 0.338 nan 8.190 nan 0.000 0.484 190 L N 1.316 122.470 121.223 -0.115 0.000 2.741 190 L HA 0.551 4.891 4.340 -0.000 0.000 0.237 190 L C 1.608 178.429 176.870 -0.083 0.000 1.178 190 L CA 0.566 55.360 54.840 -0.077 0.000 0.973 190 L CB -0.068 41.965 42.059 -0.043 0.000 1.255 190 L HN 0.592 nan 8.230 nan 0.000 0.498 191 G N -0.197 108.485 108.800 -0.197 0.000 2.141 191 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.231 191 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.231 191 G C 0.612 175.532 174.900 0.033 0.000 0.984 191 G CA -0.231 44.784 45.100 -0.142 0.000 0.660 191 G HN 0.501 nan 8.290 nan 0.000 0.525 192 G N -0.300 108.468 108.800 -0.053 0.000 2.732 192 G HA2 0.490 4.450 3.960 -0.000 0.000 0.244 192 G HA3 0.490 4.450 3.960 -0.000 0.000 0.244 192 G C 0.339 175.262 174.900 0.038 0.000 1.226 192 G CA 0.991 46.084 45.100 -0.011 0.000 0.860 192 G HN 1.315 nan 8.290 nan 0.000 0.583 193 S N -0.695 115.031 115.700 0.043 0.000 2.503 193 S HA 0.380 4.850 4.470 -0.000 0.000 0.301 193 S C -0.057 174.577 174.600 0.057 0.000 1.087 193 S CA -0.749 57.491 58.200 0.067 0.000 1.042 193 S CB 1.187 64.426 63.200 0.065 0.000 1.043 193 S HN 0.536 nan 8.310 nan 0.000 0.489 194 Q N 1.338 121.182 119.800 0.074 0.000 2.386 194 Q HA 0.260 4.599 4.340 -0.000 0.000 0.282 194 Q C 1.314 177.369 176.000 0.092 0.000 1.050 194 Q CA 1.394 57.239 55.803 0.070 0.000 0.918 194 Q CB 0.625 29.412 28.738 0.081 0.000 1.266 194 Q HN 1.297 nan 8.270 nan 0.000 0.423 195 G N 2.007 110.845 108.800 0.063 0.000 2.213 195 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.236 195 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.236 195 G C 0.971 175.890 174.900 0.032 0.000 0.991 195 G CA 0.555 45.695 45.100 0.067 0.000 0.629 195 G HN 0.634 nan 8.290 nan 0.000 0.517 196 R N 1.192 121.706 120.500 0.022 0.000 2.075 196 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 196 R C 2.148 178.426 176.300 -0.036 0.000 1.126 196 R CA 1.993 58.093 56.100 -0.000 0.000 0.963 196 R CB -0.504 29.794 30.300 -0.003 0.000 0.858 196 R HN 0.537 nan 8.270 nan 0.000 0.435 197 E N 0.336 120.505 120.200 -0.052 0.000 2.110 197 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 197 E C 1.205 177.682 176.600 -0.206 0.000 0.988 197 E CA 1.872 58.225 56.400 -0.078 0.000 0.804 197 E CB -0.005 29.667 29.700 -0.046 0.000 0.745 197 E HN 0.569 nan 8.360 nan 0.000 0.458 198 T N -2.905 111.490 114.554 -0.264 0.000 3.105 198 T HA 0.436 4.786 4.350 -0.000 0.000 0.253 198 T C 1.584 176.196 174.700 -0.147 0.000 1.047 198 T CA 0.287 62.164 62.100 -0.371 0.000 0.944 198 T CB 0.613 69.276 68.868 -0.341 0.000 1.016 198 T HN 0.236 nan 8.240 nan 0.000 0.544 199 A N 2.354 125.123 122.820 -0.085 0.000 1.892 199 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 199 A C 2.510 180.057 177.584 -0.061 0.000 1.188 199 A CA 2.447 54.457 52.037 -0.046 0.000 0.631 199 A CB -1.584 17.404 19.000 -0.020 0.000 0.822 199 A HN 0.551 nan 8.150 nan 0.000 0.447 200 T N 0.126 114.650 114.554 -0.051 0.000 2.701 200 T HA 0.031 4.381 4.350 -0.000 0.000 0.263 200 T C 2.255 176.921 174.700 -0.056 0.000 1.040 200 T CA 1.703 63.779 62.100 -0.038 0.000 1.147 200 T CB -0.530 68.332 68.868 -0.011 0.000 0.865 200 T HN 0.618 nan 8.240 nan 0.000 0.426 201 A N 1.263 124.058 122.820 -0.041 0.000 1.930 201 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 201 A C 2.287 179.651 177.584 -0.367 0.000 1.175 201 A CA 1.905 53.914 52.037 -0.046 0.000 0.627 201 A CB -0.751 18.381 19.000 0.220 0.000 0.815 201 A HN 0.444 nan 8.150 nan 0.000 0.443 202 Q N 0.132 119.672 119.800 -0.434 0.000 2.124 202 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 202 Q C 1.887 177.677 176.000 -0.350 0.000 0.977 202 Q CA 2.285 57.725 55.803 -0.606 0.000 0.850 202 Q CB -1.008 27.564 28.738 -0.277 0.000 0.901 202 Q HN 0.475 nan 8.270 nan 0.000 0.429 203 G N -0.464 108.222 108.800 -0.189 0.000 2.402 203 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 203 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 203 G C 1.446 176.287 174.900 -0.099 0.000 1.162 203 G CA 0.962 45.998 45.100 -0.107 0.000 0.777 203 G HN 0.303 nan 8.290 nan 0.000 0.539 204 V N 1.525 121.376 119.914 -0.106 0.000 2.392 204 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 204 V C 3.295 179.326 176.094 -0.105 0.000 1.059 204 V CA 2.458 64.717 62.300 -0.068 0.000 1.051 204 V CB -0.871 30.930 31.823 -0.037 0.000 0.658 204 V HN 0.663 nan 8.190 nan 0.000 0.455 205 T N -1.407 113.011 114.554 -0.225 0.000 2.942 205 T HA -0.056 4.293 4.350 -0.000 0.000 0.265 205 T C 1.798 176.395 174.700 -0.172 0.000 1.062 205 T CA 1.238 63.202 62.100 -0.226 0.000 1.139 205 T CB -0.410 68.227 68.868 -0.384 0.000 0.883 205 T HN 0.378 nan 8.240 nan 0.000 0.468 206 I N 1.296 121.762 120.570 -0.173 0.000 2.163 206 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 206 I C 2.941 178.970 176.117 -0.148 0.000 1.085 206 I CA 1.152 62.371 61.300 -0.135 0.000 1.347 206 I CB -0.644 37.298 38.000 -0.097 0.000 1.044 206 I HN 0.369 nan 8.210 nan 0.000 0.408 207 C N 0.564 119.817 119.300 -0.078 0.000 2.413 207 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 207 C C 2.739 177.664 174.990 -0.109 0.000 1.265 207 C CA 0.598 59.597 59.018 -0.030 0.000 1.752 207 C CB -0.969 26.870 27.740 0.165 0.000 1.998 207 C HN 0.452 nan 8.230 nan 0.000 0.489 208 I N 0.799 121.326 120.570 -0.073 0.000 2.252 208 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 208 I C 2.500 178.546 176.117 -0.118 0.000 1.102 208 I CA 1.540 62.806 61.300 -0.057 0.000 1.385 208 I CB -0.456 37.531 38.000 -0.021 0.000 1.064 208 I HN 0.419 nan 8.210 nan 0.000 0.414 209 E N 0.393 120.505 120.200 -0.147 0.000 2.110 209 E HA -0.209 4.140 4.350 -0.000 0.000 0.193 209 E C 2.041 178.486 176.600 -0.259 0.000 0.988 209 E CA 0.962 57.267 56.400 -0.158 0.000 0.804 209 E CB 0.024 29.643 29.700 -0.135 0.000 0.745 209 E HN 0.416 nan 8.360 nan 0.000 0.458 210 E N 0.360 120.290 120.200 -0.449 0.000 2.112 210 E HA -0.061 4.288 4.350 -0.000 0.000 0.190 210 E C 2.054 178.240 176.600 -0.691 0.000 0.979 210 E CA 0.824 56.788 56.400 -0.728 0.000 0.814 210 E CB -0.161 28.739 29.700 -1.334 0.000 0.762 210 E HN 0.224 nan 8.360 nan 0.000 0.460 211 A N 1.085 123.593 122.820 -0.519 0.000 1.972 211 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 211 A C 2.503 180.042 177.584 -0.075 0.000 1.169 211 A CA 1.105 53.075 52.037 -0.113 0.000 0.635 211 A CB -0.516 18.550 19.000 0.111 0.000 0.810 211 A HN 0.141 nan 8.150 nan 0.000 0.446 212 V N -0.211 119.639 119.914 -0.106 0.000 2.591 212 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 212 V C 2.327 178.383 176.094 -0.064 0.000 1.053 212 V CA 2.109 64.376 62.300 -0.055 0.000 1.068 212 V CB -0.432 31.362 31.823 -0.049 0.000 0.689 212 V HN 0.588 nan 8.190 nan 0.000 0.462 213 K N -0.211 120.123 120.400 -0.111 0.000 2.063 213 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 213 K C 2.112 178.662 176.600 -0.083 0.000 1.048 213 K CA 1.205 57.431 56.287 -0.102 0.000 0.928 213 K CB -0.179 32.238 32.500 -0.138 0.000 0.713 213 K HN 0.262 nan 8.250 nan 0.000 0.442 214 K N 0.939 121.278 120.400 -0.100 0.000 2.211 214 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 214 K C 1.297 177.914 176.600 0.029 0.000 1.050 214 K CA 0.988 57.243 56.287 -0.053 0.000 0.945 214 K CB 0.143 32.595 32.500 -0.080 0.000 0.732 214 K HN 0.084 nan 8.250 nan 0.000 0.451 215 K N 0.259 120.673 120.400 0.025 0.000 2.446 215 K HA 0.087 4.407 4.320 -0.000 0.000 0.203 215 K C 0.252 176.865 176.600 0.021 0.000 1.027 215 K CA 0.166 56.476 56.287 0.038 0.000 1.166 215 K CB 0.433 32.960 32.500 0.045 0.000 0.869 215 K HN 0.259 nan 8.250 nan 0.000 0.504 216 G N 2.592 111.396 108.800 0.006 0.000 2.421 216 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.300 216 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.300 216 G C 0.068 174.968 174.900 0.000 0.000 0.974 216 G CA 0.201 45.301 45.100 -0.000 0.000 1.062 216 G HN 0.180 nan 8.290 nan 0.000 0.514 217 I N -0.156 120.412 120.570 -0.003 0.000 2.460 217 I HA 0.411 4.581 4.170 -0.000 0.000 0.298 217 I C 0.397 176.507 176.117 -0.012 0.000 0.989 217 I CA -1.498 59.801 61.300 -0.002 0.000 1.173 217 I CB 1.658 39.661 38.000 0.005 0.000 1.338 217 I HN -0.059 nan 8.210 nan 0.000 0.456 218 K N 5.202 125.596 120.400 -0.009 0.000 2.205 218 K HA 0.278 4.598 4.320 -0.000 0.000 0.279 218 K C 1.026 177.620 176.600 -0.010 0.000 1.027 218 K CA -0.514 55.766 56.287 -0.013 0.000 0.932 218 K CB 1.799 34.293 32.500 -0.011 0.000 1.032 218 K HN 0.542 nan 8.250 nan 0.000 0.466 219 L N 2.555 123.769 121.223 -0.014 0.000 2.046 219 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 219 L C 2.153 179.023 176.870 -0.001 0.000 1.077 219 L CA 1.640 56.476 54.840 -0.007 0.000 0.747 219 L CB -0.039 42.014 42.059 -0.010 0.000 0.896 219 L HN 0.704 nan 8.230 nan 0.000 0.432 220 Q N -0.051 119.745 119.800 -0.006 0.000 2.142 220 Q HA -0.303 4.037 4.340 -0.000 0.000 0.213 220 Q C 1.392 177.389 176.000 -0.004 0.000 1.004 220 Q CA 2.519 58.317 55.803 -0.008 0.000 0.883 220 Q CB -0.300 28.431 28.738 -0.011 0.000 0.939 220 Q HN 0.672 nan 8.270 nan 0.000 0.413 221 N N -0.645 118.054 118.700 -0.002 0.000 2.336 221 N HA 0.192 4.932 4.740 -0.000 0.000 0.189 221 N C -0.457 175.058 175.510 0.007 0.000 1.113 221 N CA -0.224 52.827 53.050 0.002 0.000 0.858 221 N CB 0.522 39.010 38.487 0.001 0.000 0.970 221 N HN 0.110 nan 8.380 nan 0.000 0.471 222 A N 1.248 124.075 122.820 0.011 0.000 2.316 222 A HA 0.468 4.788 4.320 -0.000 0.000 0.284 222 A C -0.031 177.567 177.584 0.023 0.000 1.115 222 A CA -0.421 51.627 52.037 0.018 0.000 0.812 222 A CB 0.525 19.536 19.000 0.019 0.000 1.064 222 A HN 0.216 nan 8.150 nan 0.000 0.489 223 R N 1.198 121.716 120.500 0.029 0.000 2.343 223 R HA 0.589 4.929 4.340 -0.000 0.000 0.320 223 R C -1.111 175.217 176.300 0.047 0.000 0.956 223 R CA -0.206 55.913 56.100 0.031 0.000 0.836 223 R CB 1.657 31.976 30.300 0.031 0.000 1.151 223 R HN 0.718 nan 8.270 nan 0.000 0.450 224 I N 3.920 124.519 120.570 0.048 0.000 2.509 224 I HA 0.463 4.633 4.170 -0.000 0.000 0.293 224 I C -1.005 175.154 176.117 0.070 0.000 1.020 224 I CA -0.961 60.377 61.300 0.063 0.000 1.088 224 I CB 1.486 39.527 38.000 0.068 0.000 1.267 224 I HN 0.590 nan 8.210 nan 0.000 0.430 225 I N 8.234 128.854 120.570 0.083 0.000 2.378 225 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 225 I C -0.720 175.445 176.117 0.081 0.000 0.992 225 I CA -0.600 60.754 61.300 0.091 0.000 1.154 225 I CB 1.693 39.760 38.000 0.111 0.000 1.315 225 I HN 0.429 nan 8.210 nan 0.000 0.448 226 I N 5.990 126.610 120.570 0.083 0.000 2.389 226 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 226 I C -0.117 176.055 176.117 0.092 0.000 0.999 226 I CA -0.486 60.874 61.300 0.100 0.000 1.129 226 I CB 1.797 39.884 38.000 0.146 0.000 1.288 226 I HN 0.574 nan 8.210 nan 0.000 0.444 227 Q N 6.064 125.914 119.800 0.083 0.000 2.303 227 Q HA 0.591 4.931 4.340 -0.000 0.000 0.257 227 Q C -0.298 175.761 176.000 0.098 0.000 0.941 227 Q CA -0.371 55.475 55.803 0.072 0.000 0.931 227 Q CB 1.545 30.313 28.738 0.051 0.000 1.215 227 Q HN 0.932 nan 8.270 nan 0.000 0.437 228 G N 3.178 112.051 108.800 0.121 0.000 3.225 228 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 228 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 228 G C -1.151 173.915 174.900 0.277 0.000 1.105 228 G CA -0.609 44.587 45.100 0.159 0.000 0.831 228 G HN 0.579 nan 8.290 nan 0.000 0.578 229 F N 2.989 122.967 119.950 0.046 0.000 2.814 229 F HA 0.498 5.025 4.527 -0.000 0.000 0.326 229 F C 1.411 177.236 175.800 0.041 0.000 1.159 229 F CA 0.055 58.079 58.000 0.039 0.000 1.234 229 F CB 0.300 39.320 39.000 0.034 0.000 1.016 229 F HN 0.842 nan 8.300 nan 0.000 0.510 230 G N 0.421 109.280 108.800 0.098 0.000 2.583 230 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.275 230 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.275 230 G C 1.185 176.046 174.900 -0.065 0.000 1.342 230 G CA -0.104 45.011 45.100 0.025 0.000 1.030 230 G HN 0.222 nan 8.290 nan 0.000 0.520 231 N N -0.202 118.481 118.700 -0.028 0.000 2.037 231 N HA -0.239 4.500 4.740 -0.000 0.000 0.196 231 N C 2.580 178.149 175.510 0.099 0.000 1.034 231 N CA 1.824 54.875 53.050 0.002 0.000 0.861 231 N CB -0.477 38.059 38.487 0.081 0.000 1.039 231 N HN 0.509 nan 8.380 nan 0.000 0.427 232 A N 0.316 123.201 122.820 0.107 0.000 1.851 232 A HA -0.092 4.227 4.320 -0.000 0.000 0.216 232 A C 2.394 180.063 177.584 0.141 0.000 1.195 232 A CA 2.345 54.464 52.037 0.136 0.000 0.622 232 A CB -1.424 17.628 19.000 0.088 0.000 0.831 232 A HN 0.452 nan 8.150 nan 0.000 0.444 233 G N -0.536 108.321 108.800 0.096 0.000 2.402 233 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.216 233 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.216 233 G C 2.010 176.959 174.900 0.081 0.000 1.162 233 G CA 1.954 47.136 45.100 0.137 0.000 0.777 233 G HN 0.895 nan 8.290 nan 0.000 0.539 234 S N 0.296 115.864 115.700 -0.220 0.000 2.368 234 S HA -0.031 4.439 4.470 -0.000 0.000 0.224 234 S C 2.129 176.594 174.600 -0.226 0.000 1.029 234 S CA 1.059 58.929 58.200 -0.549 0.000 0.988 234 S CB -0.570 62.027 63.200 -1.005 0.000 0.838 234 S HN 0.126 nan 8.310 nan 0.000 0.462 235 F N 1.723 121.639 119.950 -0.056 0.000 2.134 235 F HA 0.123 4.649 4.527 -0.000 0.000 0.299 235 F C 2.198 178.141 175.800 0.238 0.000 1.097 235 F CA 0.604 58.637 58.000 0.057 0.000 1.264 235 F CB -0.724 38.365 39.000 0.148 0.000 1.001 235 F HN 0.178 nan 8.300 nan 0.000 0.479 236 L N -0.744 120.744 121.223 0.443 0.000 2.046 236 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 236 L C 2.631 179.697 176.870 0.327 0.000 1.077 236 L CA 1.393 56.480 54.840 0.412 0.000 0.747 236 L CB -0.900 41.309 42.059 0.251 0.000 0.896 236 L HN 0.104 nan 8.230 nan 0.000 0.432 237 A N -0.508 122.464 122.820 0.253 0.000 1.940 237 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 237 A C 2.351 180.064 177.584 0.215 0.000 1.176 237 A CA 2.138 54.321 52.037 0.243 0.000 0.631 237 A CB -0.484 18.720 19.000 0.339 0.000 0.814 237 A HN 0.367 nan 8.150 nan 0.000 0.446 238 K N -1.269 119.225 120.400 0.156 0.000 2.001 238 K HA -0.110 4.209 4.320 -0.000 0.000 0.208 238 K C 1.666 178.332 176.600 0.110 0.000 1.048 238 K CA 1.661 58.001 56.287 0.090 0.000 0.932 238 K CB -0.363 32.112 32.500 -0.041 0.000 0.715 238 K HN 0.404 nan 8.250 nan 0.000 0.437 239 F N 0.688 120.734 119.950 0.160 0.000 2.091 239 F HA -0.305 4.221 4.527 -0.000 0.000 0.299 239 F C 2.438 178.296 175.800 0.095 0.000 1.103 239 F CA 1.044 59.112 58.000 0.114 0.000 1.228 239 F CB -0.222 38.832 39.000 0.091 0.000 0.984 239 F HN 0.097 nan 8.300 nan 0.000 0.477 240 M N -0.862 118.917 119.600 0.298 0.000 2.132 240 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 240 M C 2.312 178.708 176.300 0.160 0.000 1.065 240 M CA 1.630 57.047 55.300 0.195 0.000 1.122 240 M CB -1.725 30.977 32.600 0.171 0.000 1.365 240 M HN 0.281 nan 8.290 nan 0.000 0.411 241 H N 0.274 119.401 119.070 0.095 0.000 2.353 241 H HA -0.154 4.401 4.556 -0.000 0.000 0.300 241 H C 1.024 176.382 175.328 0.050 0.000 1.090 241 H CA 1.712 57.797 56.048 0.063 0.000 1.327 241 H CB 0.194 29.990 29.762 0.058 0.000 1.383 241 H HN 0.255 nan 8.280 nan 0.000 0.508 242 D N 0.521 120.928 120.400 0.012 0.000 2.219 242 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 242 D C 2.087 178.366 176.300 -0.036 0.000 0.970 242 D CA 1.036 55.010 54.000 -0.044 0.000 0.851 242 D CB -0.312 40.504 40.800 0.025 0.000 0.943 242 D HN 0.486 nan 8.370 nan 0.000 0.488 243 A N -0.295 122.535 122.820 0.018 0.000 2.119 243 A HA 0.314 4.634 4.320 -0.000 0.000 0.217 243 A C 1.867 179.436 177.584 -0.024 0.000 1.153 243 A CA 1.429 53.478 52.037 0.020 0.000 0.692 243 A CB -0.184 18.851 19.000 0.058 0.000 0.799 243 A HN 0.280 nan 8.150 nan 0.000 0.458 244 G N -2.402 106.355 108.800 -0.072 0.000 2.157 244 G HA2 0.126 4.086 3.960 -0.000 0.000 0.239 244 G HA3 0.126 4.086 3.960 -0.000 0.000 0.239 244 G C 0.418 175.297 174.900 -0.035 0.000 0.982 244 G CA 0.338 45.389 45.100 -0.082 0.000 0.650 244 G HN 1.503 nan 8.290 nan 0.000 0.527 245 A N -0.260 122.559 122.820 -0.002 0.000 2.313 245 A HA 0.706 5.025 4.320 -0.000 0.000 0.261 245 A C 0.505 178.111 177.584 0.036 0.000 1.090 245 A CA 0.363 52.413 52.037 0.022 0.000 0.807 245 A CB 0.547 19.572 19.000 0.041 0.000 1.055 245 A HN 0.437 nan 8.150 nan 0.000 0.492 246 K N 1.057 121.476 120.400 0.031 0.000 2.281 246 K HA 0.477 4.796 4.320 -0.000 0.000 0.272 246 K C -1.395 175.221 176.600 0.027 0.000 1.048 246 K CA -0.355 55.949 56.287 0.029 0.000 0.898 246 K CB 0.949 33.450 32.500 0.002 0.000 1.128 246 K HN 0.403 nan 8.250 nan 0.000 0.460 247 V N 7.513 127.453 119.914 0.042 0.000 2.339 247 V HA 0.078 4.197 4.120 -0.000 0.000 0.261 247 V C 1.200 177.270 176.094 -0.041 0.000 1.058 247 V CA -0.247 62.070 62.300 0.029 0.000 0.897 247 V CB 0.251 32.115 31.823 0.069 0.000 1.052 247 V HN 0.772 nan 8.190 nan 0.000 0.480 248 I N 1.485 122.008 120.570 -0.079 0.000 3.578 248 I HA 0.497 4.666 4.170 -0.000 0.000 0.295 248 I C 0.782 176.755 176.117 -0.240 0.000 1.280 248 I CA 0.388 61.546 61.300 -0.237 0.000 1.347 248 I CB 0.329 38.137 38.000 -0.321 0.000 1.051 248 I HN 0.566 nan 8.210 nan 0.000 0.460 249 G N 1.976 110.748 108.800 -0.047 0.000 2.731 249 G HA2 0.645 4.605 3.960 -0.000 0.000 0.298 249 G HA3 0.645 4.605 3.960 -0.000 0.000 0.298 249 G C -1.385 173.510 174.900 -0.009 0.000 1.424 249 G CA -0.292 44.831 45.100 0.038 0.000 1.029 249 G HN 0.017 nan 8.290 nan 0.000 0.518 250 I N 0.685 121.213 120.570 -0.071 0.000 2.994 250 I HA 0.737 4.907 4.170 -0.000 0.000 0.306 250 I C -0.201 175.841 176.117 -0.126 0.000 1.195 250 I CA -0.813 60.399 61.300 -0.146 0.000 1.001 250 I CB 2.253 40.015 38.000 -0.396 0.000 1.244 250 I HN 0.776 nan 8.210 nan 0.000 0.437 251 S N 2.425 118.073 115.700 -0.086 0.000 2.550 251 S HA 0.788 5.258 4.470 -0.000 0.000 0.270 251 S C -1.532 173.087 174.600 0.032 0.000 1.145 251 S CA -0.778 57.401 58.200 -0.036 0.000 0.852 251 S CB 2.919 66.124 63.200 0.009 0.000 1.119 251 S HN 0.599 nan 8.310 nan 0.000 0.465 252 D N 1.011 121.438 120.400 0.046 0.000 2.758 252 D HA 0.729 5.369 4.640 -0.000 0.000 0.262 252 D C 1.543 177.889 176.300 0.078 0.000 1.113 252 D CA -0.293 53.771 54.000 0.107 0.000 1.114 252 D CB 0.297 41.181 40.800 0.139 0.000 1.363 252 D HN 0.732 nan 8.370 nan 0.000 0.617 253 A N 0.077 122.948 122.820 0.085 0.000 1.881 253 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 253 A C 0.975 178.588 177.584 0.048 0.000 1.215 253 A CA 1.901 53.975 52.037 0.063 0.000 0.648 253 A CB -1.284 17.751 19.000 0.059 0.000 0.832 253 A HN 0.695 nan 8.150 nan 0.000 0.455 254 N N 0.231 118.960 118.700 0.050 0.000 2.645 254 N HA 0.416 5.156 4.740 -0.000 0.000 0.233 254 N C 0.426 175.959 175.510 0.040 0.000 1.058 254 N CA 0.601 53.676 53.050 0.042 0.000 0.942 254 N CB 0.264 38.777 38.487 0.042 0.000 1.210 254 N HN 1.041 nan 8.380 nan 0.000 0.512 255 G N 0.549 109.367 108.800 0.029 0.000 2.829 255 G HA2 0.104 4.064 3.960 -0.000 0.000 0.628 255 G HA3 0.104 4.064 3.960 -0.000 0.000 0.628 255 G C -0.435 174.466 174.900 0.002 0.000 1.412 255 G CA -0.544 44.567 45.100 0.018 0.000 0.864 255 G HN 0.856 nan 8.290 nan 0.000 0.544 256 G N -1.307 107.487 108.800 -0.010 0.000 2.563 256 G HA2 0.776 4.736 3.960 -0.000 0.000 0.302 256 G HA3 0.776 4.736 3.960 -0.000 0.000 0.302 256 G C -0.708 174.163 174.900 -0.049 0.000 1.301 256 G CA -0.913 44.167 45.100 -0.034 0.000 0.965 256 G HN 0.983 nan 8.290 nan 0.000 0.480 257 L N 0.924 122.084 121.223 -0.106 0.000 2.307 257 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 257 L C -1.053 175.794 176.870 -0.038 0.000 1.023 257 L CA -1.010 53.743 54.840 -0.144 0.000 0.810 257 L CB 1.867 43.709 42.059 -0.362 0.000 1.231 257 L HN 0.576 nan 8.230 nan 0.000 0.423 258 Y N 3.644 123.870 120.300 -0.124 0.000 2.462 258 Y HA 0.568 5.118 4.550 -0.000 0.000 0.346 258 Y C -0.803 175.050 175.900 -0.078 0.000 0.976 258 Y CA -0.821 57.228 58.100 -0.084 0.000 1.044 258 Y CB 1.840 40.268 38.460 -0.053 0.000 1.230 258 Y HN 0.581 nan 8.280 nan 0.000 0.455 259 N N 7.071 125.370 118.700 -0.668 0.000 2.905 259 N HA 0.222 4.962 4.740 -0.000 0.000 0.255 259 N C -2.817 172.384 175.510 -0.514 0.000 1.199 259 N CA -1.531 51.260 53.050 -0.432 0.000 0.911 259 N CB 2.134 40.481 38.487 -0.233 0.000 1.550 259 N HN 0.331 nan 8.380 nan 0.000 0.599 260 P HA 0.038 nan 4.420 nan 0.000 0.234 260 P C 0.384 177.590 177.300 -0.156 0.000 1.167 260 P CA 0.724 63.642 63.100 -0.302 0.000 0.763 260 P CB 0.557 32.186 31.700 -0.118 0.000 0.835 261 D N 0.019 120.339 120.400 -0.134 0.000 2.178 261 D HA 0.088 4.728 4.640 -0.000 0.000 0.202 261 D C 1.264 177.516 176.300 -0.081 0.000 0.974 261 D CA 1.502 55.453 54.000 -0.082 0.000 0.841 261 D CB -0.285 40.478 40.800 -0.062 0.000 0.953 261 D HN 0.206 nan 8.370 nan 0.000 0.478 262 G N -0.177 108.551 108.800 -0.121 0.000 3.014 262 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.683 262 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.683 262 G C -0.796 174.053 174.900 -0.085 0.000 1.271 262 G CA -0.882 44.166 45.100 -0.086 0.000 0.843 262 G HN 0.116 nan 8.290 nan 0.000 0.612 263 L N 1.593 122.760 121.223 -0.093 0.000 2.436 263 L HA 0.381 4.721 4.340 -0.000 0.000 0.265 263 L C 0.722 177.565 176.870 -0.045 0.000 1.168 263 L CA -0.699 54.082 54.840 -0.099 0.000 0.815 263 L CB 0.783 42.755 42.059 -0.145 0.000 1.109 263 L HN 0.603 nan 8.230 nan 0.000 0.462 264 D N 1.820 122.199 120.400 -0.034 0.000 2.455 264 D HA 0.091 4.731 4.640 -0.000 0.000 0.234 264 D C 0.827 177.131 176.300 0.007 0.000 1.224 264 D CA 0.081 54.080 54.000 -0.002 0.000 0.999 264 D CB 0.662 41.476 40.800 0.023 0.000 1.072 264 D HN 0.309 nan 8.370 nan 0.000 0.514 265 I N 5.134 125.647 120.570 -0.096 0.000 2.353 265 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 265 I C -0.860 175.212 176.117 -0.075 0.000 1.119 265 I CA 0.529 61.783 61.300 -0.078 0.000 1.417 265 I CB -0.760 37.173 38.000 -0.112 0.000 1.078 265 I HN 0.340 nan 8.210 nan 0.000 0.421 266 P HA -0.225 nan 4.420 nan 0.000 0.215 266 P C 1.710 179.035 177.300 0.043 0.000 1.153 266 P CA 1.521 64.569 63.100 -0.085 0.000 0.853 266 P CB -0.137 31.512 31.700 -0.085 0.000 0.788 267 Y N 0.357 120.644 120.300 -0.021 0.000 2.097 267 Y HA -0.211 4.339 4.550 -0.000 0.000 0.282 267 Y C 2.150 178.098 175.900 0.081 0.000 1.152 267 Y CA 1.515 59.634 58.100 0.032 0.000 1.136 267 Y CB -0.978 37.513 38.460 0.051 0.000 0.975 267 Y HN -0.236 nan 8.280 nan 0.000 0.498 268 L N -0.439 120.917 121.223 0.222 0.000 2.043 268 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 268 L C 2.420 179.424 176.870 0.224 0.000 1.075 268 L CA 1.464 56.420 54.840 0.194 0.000 0.752 268 L CB -0.715 41.411 42.059 0.112 0.000 0.891 268 L HN 0.322 nan 8.230 nan 0.000 0.432 269 L N -0.497 120.830 121.223 0.173 0.000 2.093 269 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 269 L C 2.197 179.034 176.870 -0.055 0.000 1.085 269 L CA 1.374 56.242 54.840 0.047 0.000 0.755 269 L CB -0.443 41.587 42.059 -0.048 0.000 0.904 269 L HN 0.295 nan 8.230 nan 0.000 0.435 270 D N -0.244 120.104 120.400 -0.086 0.000 2.144 270 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 270 D C 2.119 178.318 176.300 -0.169 0.000 0.978 270 D CA 1.076 54.995 54.000 -0.135 0.000 0.833 270 D CB 0.266 40.971 40.800 -0.158 0.000 0.961 270 D HN -0.068 nan 8.370 nan 0.000 0.470 271 K N 0.260 120.526 120.400 -0.223 0.000 2.305 271 K HA 0.021 4.340 4.320 -0.000 0.000 0.199 271 K C 0.280 176.857 176.600 -0.038 0.000 1.047 271 K CA 0.121 56.286 56.287 -0.204 0.000 0.976 271 K CB -0.078 32.214 32.500 -0.346 0.000 0.765 271 K HN 0.300 nan 8.250 nan 0.000 0.474 272 R N 2.044 122.569 120.500 0.042 0.000 2.489 272 R HA 0.078 4.418 4.340 -0.000 0.000 0.287 272 R C -0.274 176.039 176.300 0.020 0.000 1.053 272 R CA -0.341 55.819 56.100 0.100 0.000 1.036 272 R CB -0.218 30.211 30.300 0.215 0.000 0.966 272 R HN -0.162 nan 8.270 nan 0.000 0.432 273 D N 1.701 122.135 120.400 0.056 0.000 2.622 273 D HA -0.160 4.479 4.640 -0.000 0.000 0.222 273 D C 0.850 177.113 176.300 -0.062 0.000 1.226 273 D CA 1.165 55.179 54.000 0.024 0.000 0.874 273 D CB 0.551 41.443 40.800 0.154 0.000 1.236 273 D HN 0.781 nan 8.370 nan 0.000 0.531 274 S N 0.656 116.243 115.700 -0.188 0.000 2.359 274 S HA -0.251 4.219 4.470 -0.000 0.000 0.224 274 S C 2.011 176.486 174.600 -0.207 0.000 1.035 274 S CA 1.102 59.131 58.200 -0.284 0.000 1.018 274 S CB -0.581 62.307 63.200 -0.519 0.000 0.876 274 S HN 0.485 nan 8.310 nan 0.000 0.448 275 F N 2.630 122.611 119.950 0.052 0.000 2.269 275 F HA 0.240 4.767 4.527 -0.000 0.000 0.301 275 F C 2.196 178.042 175.800 0.077 0.000 1.082 275 F CA 0.338 58.385 58.000 0.079 0.000 1.360 275 F CB -1.177 37.873 39.000 0.084 0.000 1.041 275 F HN 0.496 nan 8.300 nan 0.000 0.512 276 G N 0.013 108.938 108.800 0.209 0.000 2.207 276 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 276 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 276 G C -0.017 175.048 174.900 0.275 0.000 1.053 276 G CA -0.330 44.877 45.100 0.179 0.000 0.764 276 G HN 0.050 nan 8.290 nan 0.000 0.495 277 M N -0.597 119.165 119.600 0.270 0.000 2.508 277 M HA 0.736 5.216 4.480 -0.000 0.000 0.327 277 M C 0.806 177.243 176.300 0.227 0.000 1.160 277 M CA -0.730 54.713 55.300 0.237 0.000 0.980 277 M CB 1.692 34.412 32.600 0.201 0.000 1.693 277 M HN 0.351 nan 8.290 nan 0.000 0.452 278 V N 1.066 121.101 119.914 0.201 0.000 3.071 278 V HA -0.062 4.058 4.120 -0.000 0.000 0.244 278 V C 1.405 177.655 176.094 0.259 0.000 1.644 278 V CA 0.956 63.382 62.300 0.210 0.000 1.090 278 V CB 0.643 32.598 31.823 0.220 0.000 0.981 278 V HN 0.975 nan 8.190 nan 0.000 0.422 279 T N 1.948 116.615 114.554 0.189 0.000 2.962 279 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 279 T C 1.418 176.284 174.700 0.277 0.000 1.088 279 T CA 1.789 64.023 62.100 0.224 0.000 1.127 279 T CB -0.569 68.344 68.868 0.074 0.000 0.883 279 T HN 0.828 nan 8.240 nan 0.000 0.493 280 N N 2.196 121.005 118.700 0.181 0.000 2.205 280 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 280 N C 1.489 177.055 175.510 0.094 0.000 1.015 280 N CA 1.013 54.136 53.050 0.122 0.000 0.862 280 N CB -1.038 37.500 38.487 0.085 0.000 0.986 280 N HN 0.360 nan 8.380 nan 0.000 0.429 281 L N -1.666 119.600 121.223 0.072 0.000 2.465 281 L HA 0.128 4.468 4.340 -0.000 0.000 0.224 281 L C -0.013 176.633 176.870 -0.374 0.000 1.145 281 L CA 0.300 55.039 54.840 -0.167 0.000 0.834 281 L CB -0.364 41.516 42.059 -0.299 0.000 0.944 281 L HN 0.085 nan 8.230 nan 0.000 0.451 282 F N -1.757 118.217 119.950 0.040 0.000 2.557 282 F HA 0.274 4.801 4.527 -0.000 0.000 0.336 282 F C 1.479 177.292 175.800 0.021 0.000 1.058 282 F CA -0.437 57.580 58.000 0.029 0.000 0.988 282 F CB 1.229 40.243 39.000 0.023 0.000 1.275 282 F HN -0.257 nan 8.300 nan 0.000 0.488 283 T N -3.852 110.828 114.554 0.210 0.000 3.071 283 T HA 0.061 4.411 4.350 -0.000 0.000 0.239 283 T C 0.385 175.145 174.700 0.101 0.000 0.997 283 T CA 0.187 62.356 62.100 0.115 0.000 1.134 283 T CB -0.289 68.620 68.868 0.068 0.000 0.928 283 T HN 0.315 nan 8.240 nan 0.000 0.453 284 D N 2.636 123.098 120.400 0.102 0.000 2.600 284 D HA 0.285 4.924 4.640 -0.000 0.000 0.226 284 D C -0.732 175.601 176.300 0.055 0.000 1.119 284 D CA 0.028 54.069 54.000 0.068 0.000 1.051 284 D CB 0.246 41.080 40.800 0.058 0.000 1.106 284 D HN 0.220 nan 8.370 nan 0.000 0.491 285 V N 3.989 123.936 119.914 0.055 0.000 2.339 285 V HA 0.130 4.250 4.120 -0.000 0.000 0.261 285 V C 1.117 177.225 176.094 0.023 0.000 1.058 285 V CA -0.730 61.592 62.300 0.037 0.000 0.897 285 V CB -0.131 31.722 31.823 0.051 0.000 1.052 285 V HN 0.300 nan 8.190 nan 0.000 0.480 286 I N 3.348 123.926 120.570 0.013 0.000 3.473 286 I HA 0.397 4.567 4.170 -0.000 0.000 0.251 286 I C 0.779 176.896 176.117 0.001 0.000 1.240 286 I CA -0.188 61.114 61.300 0.003 0.000 1.030 286 I CB 0.616 38.608 38.000 -0.013 0.000 1.541 286 I HN 0.581 nan 8.210 nan 0.000 0.805 287 T N -0.220 114.331 114.554 -0.005 0.000 2.943 287 T HA 0.336 4.686 4.350 -0.000 0.000 0.284 287 T C 0.560 175.257 174.700 -0.005 0.000 1.015 287 T CA -0.565 61.535 62.100 -0.000 0.000 1.042 287 T CB 1.358 70.226 68.868 0.001 0.000 1.055 287 T HN 0.712 nan 8.240 nan 0.000 0.500 288 N N 0.895 119.598 118.700 0.004 0.000 2.061 288 N HA -0.126 4.614 4.740 -0.000 0.000 0.193 288 N C 1.619 177.127 175.510 -0.004 0.000 1.030 288 N CA 1.600 54.653 53.050 0.004 0.000 0.856 288 N CB -0.477 38.019 38.487 0.015 0.000 1.023 288 N HN 0.726 nan 8.380 nan 0.000 0.424 289 E N 1.005 121.203 120.200 -0.004 0.000 2.048 289 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 289 E C 1.805 178.391 176.600 -0.023 0.000 1.021 289 E CA 1.472 57.867 56.400 -0.009 0.000 0.825 289 E CB -0.345 29.352 29.700 -0.005 0.000 0.756 289 E HN 0.530 nan 8.360 nan 0.000 0.454 290 E N -0.117 120.064 120.200 -0.031 0.000 2.110 290 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 290 E C 2.111 178.659 176.600 -0.088 0.000 0.988 290 E CA 0.799 57.165 56.400 -0.056 0.000 0.804 290 E CB -0.196 29.470 29.700 -0.056 0.000 0.745 290 E HN 0.100 nan 8.360 nan 0.000 0.458 291 L N 1.099 122.282 121.223 -0.067 0.000 2.083 291 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 291 L C 2.072 178.909 176.870 -0.055 0.000 1.083 291 L CA 1.426 56.225 54.840 -0.069 0.000 0.752 291 L CB -0.251 41.801 42.059 -0.012 0.000 0.899 291 L HN 0.093 nan 8.230 nan 0.000 0.433 292 L N -0.554 120.650 121.223 -0.032 0.000 2.191 292 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 292 L C 2.201 179.053 176.870 -0.030 0.000 1.103 292 L CA 1.291 56.120 54.840 -0.018 0.000 0.769 292 L CB -0.619 41.434 42.059 -0.010 0.000 0.908 292 L HN 0.406 nan 8.230 nan 0.000 0.438 293 E N -0.426 119.741 120.200 -0.054 0.000 2.447 293 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 293 E C 0.495 177.042 176.600 -0.089 0.000 1.028 293 E CA -0.075 56.292 56.400 -0.056 0.000 0.876 293 E CB 0.232 29.902 29.700 -0.049 0.000 0.885 293 E HN 0.257 nan 8.360 nan 0.000 0.500 294 K N 2.001 122.307 120.400 -0.156 0.000 2.336 294 K HA 0.010 4.330 4.320 -0.000 0.000 0.262 294 K C -0.186 176.360 176.600 -0.090 0.000 0.992 294 K CA -0.026 56.104 56.287 -0.261 0.000 0.927 294 K CB 0.421 32.512 32.500 -0.683 0.000 0.956 294 K HN -0.118 nan 8.250 nan 0.000 0.495 295 D N 0.480 120.859 120.400 -0.036 0.000 2.382 295 D HA 0.299 4.939 4.640 -0.000 0.000 0.245 295 D C -0.743 175.637 176.300 0.135 0.000 1.120 295 D CA -0.126 53.908 54.000 0.058 0.000 0.890 295 D CB 0.338 41.178 40.800 0.067 0.000 1.201 295 D HN 0.585 nan 8.370 nan 0.000 0.433 296 C N 1.475 120.833 119.300 0.097 0.000 3.165 296 C HA 0.360 4.820 4.460 -0.000 0.000 0.345 296 C C 0.302 175.331 174.990 0.064 0.000 1.367 296 C CA -0.732 58.344 59.018 0.097 0.000 1.205 296 C CB 0.657 28.464 27.740 0.112 0.000 1.447 296 C HN 0.613 nan 8.230 nan 0.000 0.451 297 D N 0.290 120.724 120.400 0.056 0.000 2.262 297 D HA 0.245 4.885 4.640 -0.000 0.000 0.212 297 D C 0.227 176.555 176.300 0.047 0.000 0.964 297 D CA 1.386 55.414 54.000 0.046 0.000 0.875 297 D CB 0.489 41.312 40.800 0.038 0.000 0.996 297 D HN 0.616 nan 8.370 nan 0.000 0.497 298 I N 1.807 122.408 120.570 0.052 0.000 2.478 298 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 298 I C -0.872 175.279 176.117 0.057 0.000 1.042 298 I CA -0.501 60.830 61.300 0.052 0.000 1.067 298 I CB 3.045 41.075 38.000 0.050 0.000 1.233 298 I HN -0.179 nan 8.210 nan 0.000 0.431 299 L N 7.443 128.697 121.223 0.051 0.000 2.313 299 L HA 0.623 4.962 4.340 -0.000 0.000 0.283 299 L C -1.078 175.820 176.870 0.046 0.000 1.013 299 L CA -0.659 54.210 54.840 0.049 0.000 0.816 299 L CB 1.879 43.960 42.059 0.037 0.000 1.236 299 L HN 0.345 nan 8.230 nan 0.000 0.419 300 V N 6.121 126.066 119.914 0.053 0.000 2.289 300 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 300 V C -2.251 173.872 176.094 0.049 0.000 1.026 300 V CA -1.541 60.789 62.300 0.051 0.000 0.807 300 V CB 1.275 33.137 31.823 0.065 0.000 1.044 300 V HN 0.688 nan 8.190 nan 0.000 0.443 301 P HA 0.229 nan 4.420 nan 0.000 0.269 301 P C 0.252 177.571 177.300 0.032 0.000 1.263 301 P CA 0.267 63.385 63.100 0.029 0.000 0.813 301 P CB 0.849 32.556 31.700 0.011 0.000 0.868 302 A N 3.011 125.861 122.820 0.050 0.000 2.631 302 A HA 0.629 4.949 4.320 -0.000 0.000 0.294 302 A C 0.998 178.616 177.584 0.057 0.000 1.156 302 A CA 0.523 52.594 52.037 0.056 0.000 0.963 302 A CB -0.069 18.981 19.000 0.083 0.000 1.202 302 A HN 0.456 nan 8.150 nan 0.000 0.523 303 A N 0.235 123.083 122.820 0.046 0.000 1.936 303 A HA 0.762 5.082 4.320 -0.000 0.000 0.197 303 A C 0.426 178.027 177.584 0.028 0.000 2.189 303 A CA 0.595 52.660 52.037 0.047 0.000 1.491 303 A CB -0.250 18.785 19.000 0.058 0.000 1.021 303 A HN 0.808 nan 8.150 nan 0.000 0.537 304 I N -1.305 119.281 120.570 0.026 0.000 3.133 304 I HA 0.695 4.865 4.170 -0.000 0.000 0.311 304 I C 0.202 176.328 176.117 0.016 0.000 1.072 304 I CA -0.575 60.737 61.300 0.019 0.000 1.015 304 I CB 2.065 40.080 38.000 0.024 0.000 1.233 304 I HN 0.414 nan 8.210 nan 0.000 0.473 305 S N 1.149 116.860 115.700 0.019 0.000 2.645 305 S HA 0.312 4.782 4.470 -0.000 0.000 0.266 305 S C 0.367 174.979 174.600 0.019 0.000 1.258 305 S CA -0.352 57.859 58.200 0.019 0.000 0.990 305 S CB 0.567 63.793 63.200 0.042 0.000 0.967 305 S HN 0.881 nan 8.310 nan 0.000 0.556 306 N N 0.650 119.358 118.700 0.013 0.000 2.740 306 N HA -0.124 4.615 4.740 -0.000 0.000 0.248 306 N C 0.280 175.795 175.510 0.007 0.000 1.062 306 N CA 0.794 53.851 53.050 0.012 0.000 0.704 306 N CB -0.865 37.635 38.487 0.022 0.000 0.968 306 N HN 0.654 nan 8.380 nan 0.000 0.547 307 Q N -0.389 119.412 119.800 0.002 0.000 2.349 307 Q HA 0.268 4.608 4.340 -0.000 0.000 0.209 307 Q C 0.865 176.862 176.000 -0.004 0.000 0.920 307 Q CA 0.651 56.456 55.803 0.003 0.000 0.901 307 Q CB 0.817 29.559 28.738 0.006 0.000 1.021 307 Q HN 0.563 nan 8.270 nan 0.000 0.519 308 I N 2.156 122.720 120.570 -0.012 0.000 2.312 308 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 308 I C 0.330 176.432 176.117 -0.025 0.000 1.008 308 I CA -0.376 60.912 61.300 -0.020 0.000 1.226 308 I CB 1.443 39.427 38.000 -0.027 0.000 1.371 308 I HN -0.054 nan 8.210 nan 0.000 0.468 309 T N 1.823 116.363 114.554 -0.023 0.000 2.773 309 T HA 0.634 4.984 4.350 -0.000 0.000 0.278 309 T C 1.043 175.725 174.700 -0.030 0.000 1.011 309 T CA -0.118 61.969 62.100 -0.021 0.000 1.014 309 T CB 1.719 70.582 68.868 -0.007 0.000 1.293 309 T HN 0.449 nan 8.240 nan 0.000 0.554 310 A N 0.777 123.584 122.820 -0.021 0.000 1.859 310 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 310 A C 1.584 179.176 177.584 0.014 0.000 1.198 310 A CA 1.272 53.300 52.037 -0.015 0.000 0.629 310 A CB -0.973 18.027 19.000 0.001 0.000 0.830 310 A HN 0.776 nan 8.150 nan 0.000 0.446 311 K N 0.074 120.487 120.400 0.021 0.000 3.006 311 K HA 0.166 4.486 4.320 -0.000 0.000 0.265 311 K C 0.092 176.710 176.600 0.031 0.000 1.279 311 K CA 0.400 56.709 56.287 0.037 0.000 1.229 311 K CB -0.445 32.070 32.500 0.025 0.000 1.555 311 K HN 0.702 nan 8.250 nan 0.000 0.300 312 N N -0.978 117.741 118.700 0.032 0.000 2.501 312 N HA -0.089 4.651 4.740 -0.000 0.000 0.310 312 N C 1.148 176.655 175.510 -0.005 0.000 0.704 312 N CA 0.527 53.585 53.050 0.013 0.000 0.777 312 N CB -0.465 38.021 38.487 -0.003 0.000 2.418 312 N HN 0.193 nan 8.380 nan 0.000 1.244 313 A N 0.504 123.290 122.820 -0.056 0.000 2.070 313 A HA -0.090 4.229 4.320 -0.000 0.000 0.220 313 A C 1.327 178.833 177.584 -0.129 0.000 1.159 313 A CA 1.419 53.389 52.037 -0.112 0.000 0.656 313 A CB -0.897 17.997 19.000 -0.176 0.000 0.800 313 A HN 0.537 nan 8.150 nan 0.000 0.453 314 H N -0.497 118.568 119.070 -0.009 0.000 2.495 314 H HA 0.023 4.579 4.556 -0.000 0.000 0.287 314 H C 1.274 176.597 175.328 -0.008 0.000 1.033 314 H CA 1.083 57.126 56.048 -0.008 0.000 1.307 314 H CB 0.191 29.948 29.762 -0.008 0.000 1.401 314 H HN 0.412 nan 8.280 nan 0.000 0.555 315 N N 0.274 119.024 118.700 0.084 0.000 2.336 315 N HA 0.007 4.747 4.740 -0.000 0.000 0.189 315 N C -0.328 175.191 175.510 0.015 0.000 1.113 315 N CA 0.189 53.264 53.050 0.042 0.000 0.858 315 N CB 0.392 38.895 38.487 0.026 0.000 0.970 315 N HN 0.163 nan 8.380 nan 0.000 0.471 316 I N 1.396 121.971 120.570 0.008 0.000 2.496 316 I HA 0.014 4.184 4.170 -0.000 0.000 0.285 316 I C 1.529 177.651 176.117 0.009 0.000 1.080 316 I CA 0.331 61.631 61.300 0.000 0.000 1.404 316 I CB 1.017 39.011 38.000 -0.009 0.000 1.403 316 I HN 0.001 nan 8.210 nan 0.000 0.539 317 Q N 4.540 124.346 119.800 0.010 0.000 2.378 317 Q HA 0.326 4.666 4.340 -0.000 0.000 0.216 317 Q C 0.709 176.725 176.000 0.026 0.000 0.892 317 Q CA -0.088 55.726 55.803 0.018 0.000 0.931 317 Q CB 0.246 28.993 28.738 0.014 0.000 1.086 317 Q HN 0.795 nan 8.270 nan 0.000 0.528 318 A N 1.580 124.417 122.820 0.028 0.000 2.587 318 A HA -0.021 4.299 4.320 -0.000 0.000 0.233 318 A C 1.204 178.807 177.584 0.033 0.000 1.049 318 A CA 0.777 52.834 52.037 0.035 0.000 0.754 318 A CB 0.202 19.223 19.000 0.034 0.000 0.977 318 A HN 0.383 nan 8.150 nan 0.000 0.509 319 S N 1.427 117.150 115.700 0.039 0.000 2.503 319 S HA 0.270 4.740 4.470 -0.000 0.000 0.217 319 S C 0.370 175.001 174.600 0.050 0.000 0.999 319 S CA 0.229 58.454 58.200 0.041 0.000 0.914 319 S CB -0.237 62.988 63.200 0.042 0.000 0.782 319 S HN 0.554 nan 8.310 nan 0.000 0.520 320 I N 1.883 122.484 120.570 0.052 0.000 2.466 320 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 320 I C -1.338 174.810 176.117 0.051 0.000 1.026 320 I CA -1.043 60.295 61.300 0.062 0.000 1.078 320 I CB 2.315 40.357 38.000 0.069 0.000 1.249 320 I HN -0.114 nan 8.210 nan 0.000 0.429 321 V N 7.055 126.998 119.914 0.047 0.000 2.334 321 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 321 V C -0.102 176.016 176.094 0.040 0.000 1.016 321 V CA -0.605 61.715 62.300 0.034 0.000 0.832 321 V CB 1.947 33.778 31.823 0.014 0.000 0.999 321 V HN 0.426 nan 8.190 nan 0.000 0.439 322 V N 5.024 124.964 119.914 0.043 0.000 2.334 322 V HA 0.338 4.458 4.120 -0.000 0.000 0.281 322 V C 0.236 176.345 176.094 0.025 0.000 1.016 322 V CA -0.699 61.629 62.300 0.046 0.000 0.832 322 V CB 1.410 33.268 31.823 0.058 0.000 0.999 322 V HN 0.885 nan 8.190 nan 0.000 0.439 323 E N 4.819 125.022 120.200 0.004 0.000 2.003 323 E HA 0.246 4.596 4.350 -0.000 0.000 0.279 323 E C 0.549 177.139 176.600 -0.017 0.000 1.132 323 E CA -0.226 56.164 56.400 -0.017 0.000 0.888 323 E CB 1.095 30.764 29.700 -0.051 0.000 1.056 323 E HN 0.488 nan 8.360 nan 0.000 0.399 324 R N 1.980 122.479 120.500 -0.000 0.000 2.066 324 R HA 0.063 4.402 4.340 -0.000 0.000 0.224 324 R C 0.866 177.160 176.300 -0.010 0.000 1.122 324 R CA 0.615 56.717 56.100 0.005 0.000 0.974 324 R CB 0.119 30.438 30.300 0.031 0.000 0.871 324 R HN 0.393 nan 8.270 nan 0.000 0.435 325 A N 1.712 124.526 122.820 -0.010 0.000 2.332 325 A HA 0.191 4.511 4.320 -0.000 0.000 0.258 325 A C -0.468 177.080 177.584 -0.059 0.000 1.087 325 A CA -0.614 51.412 52.037 -0.018 0.000 0.802 325 A CB 0.265 19.264 19.000 -0.001 0.000 1.042 325 A HN 0.211 nan 8.150 nan 0.000 0.489 326 N N 0.624 119.288 118.700 -0.060 0.000 2.483 326 N HA 0.292 5.032 4.740 -0.000 0.000 0.264 326 N C 1.010 176.434 175.510 -0.143 0.000 1.197 326 N CA 1.489 54.452 53.050 -0.144 0.000 0.927 326 N CB 0.639 39.129 38.487 0.005 0.000 1.065 326 N HN 1.257 nan 8.380 nan 0.000 0.461 327 G N 3.022 111.659 108.800 -0.272 0.000 2.305 327 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.287 327 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.287 327 G C -1.275 173.586 174.900 -0.065 0.000 1.036 327 G CA -0.111 44.889 45.100 -0.166 0.000 0.887 327 G HN 0.553 nan 8.290 nan 0.000 0.505 328 P HA 0.090 nan 4.420 nan 0.000 0.236 328 P C 0.350 177.633 177.300 -0.029 0.000 1.177 328 P CA 0.971 64.052 63.100 -0.031 0.000 0.773 328 P CB 0.436 32.120 31.700 -0.026 0.000 0.878 329 T N 0.267 114.795 114.554 -0.044 0.000 2.840 329 T HA 0.336 4.686 4.350 -0.000 0.000 0.287 329 T C 0.171 174.844 174.700 -0.045 0.000 0.991 329 T CA -0.429 61.645 62.100 -0.043 0.000 0.964 329 T CB 1.639 70.476 68.868 -0.051 0.000 0.954 329 T HN 0.046 nan 8.240 nan 0.000 0.438 330 T N 1.008 115.541 114.554 -0.035 0.000 2.766 330 T HA 0.254 4.604 4.350 -0.000 0.000 0.295 330 T C 1.728 176.399 174.700 -0.048 0.000 1.024 330 T CA -0.850 61.231 62.100 -0.032 0.000 1.018 330 T CB 0.372 69.227 68.868 -0.022 0.000 1.002 330 T HN 0.254 nan 8.240 nan 0.000 0.532 331 I N 1.007 121.547 120.570 -0.048 0.000 2.151 331 I HA -0.148 4.022 4.170 -0.000 0.000 0.243 331 I C 2.172 178.252 176.117 -0.063 0.000 1.080 331 I CA 1.531 62.792 61.300 -0.066 0.000 1.339 331 I CB -1.429 36.533 38.000 -0.063 0.000 1.039 331 I HN 0.691 nan 8.210 nan 0.000 0.409 332 D N 0.763 121.133 120.400 -0.051 0.000 2.103 332 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 332 D C 2.300 178.559 176.300 -0.069 0.000 0.978 332 D CA 1.515 55.484 54.000 -0.051 0.000 0.829 332 D CB -0.156 40.623 40.800 -0.034 0.000 0.981 332 D HN 0.273 nan 8.370 nan 0.000 0.464 333 A N 0.515 123.294 122.820 -0.069 0.000 1.892 333 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 333 A C 2.365 179.895 177.584 -0.090 0.000 1.188 333 A CA 2.423 54.407 52.037 -0.087 0.000 0.631 333 A CB -1.092 17.869 19.000 -0.066 0.000 0.822 333 A HN 0.239 nan 8.150 nan 0.000 0.447 334 T N -0.585 113.923 114.554 -0.077 0.000 2.788 334 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 334 T C 1.957 176.610 174.700 -0.078 0.000 1.044 334 T CA 1.701 63.755 62.100 -0.076 0.000 1.139 334 T CB -0.167 68.653 68.868 -0.080 0.000 0.867 334 T HN 0.643 nan 8.240 nan 0.000 0.454 335 K N 0.725 121.078 120.400 -0.078 0.000 2.025 335 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 335 K C 2.257 178.810 176.600 -0.078 0.000 1.049 335 K CA 1.137 57.382 56.287 -0.070 0.000 0.933 335 K CB -0.306 32.158 32.500 -0.059 0.000 0.714 335 K HN 0.272 nan 8.250 nan 0.000 0.438 336 I N 1.549 122.051 120.570 -0.114 0.000 2.127 336 I HA -0.348 3.821 4.170 -0.000 0.000 0.241 336 I C 2.312 178.344 176.117 -0.142 0.000 1.075 336 I CA 1.347 62.538 61.300 -0.182 0.000 1.334 336 I CB -0.298 37.467 38.000 -0.393 0.000 1.040 336 I HN 0.192 nan 8.210 nan 0.000 0.405 337 L N 0.300 121.450 121.223 -0.122 0.000 2.043 337 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 337 L C 2.329 179.168 176.870 -0.051 0.000 1.075 337 L CA 1.808 56.601 54.840 -0.077 0.000 0.752 337 L CB -0.824 41.198 42.059 -0.061 0.000 0.891 337 L HN 0.363 nan 8.230 nan 0.000 0.432 338 N N 0.134 118.802 118.700 -0.054 0.000 2.166 338 N HA -0.200 4.539 4.740 -0.000 0.000 0.186 338 N C 1.741 177.232 175.510 -0.032 0.000 1.019 338 N CA 1.261 54.285 53.050 -0.044 0.000 0.856 338 N CB 0.079 38.534 38.487 -0.053 0.000 0.993 338 N HN 0.294 nan 8.380 nan 0.000 0.426 339 E N -0.437 119.744 120.200 -0.031 0.000 2.150 339 E HA -0.042 4.307 4.350 -0.000 0.000 0.193 339 E C 1.433 178.035 176.600 0.003 0.000 0.985 339 E CA 0.709 57.103 56.400 -0.011 0.000 0.814 339 E CB 0.104 29.806 29.700 0.002 0.000 0.752 339 E HN 0.356 nan 8.360 nan 0.000 0.466 340 R N -0.620 119.880 120.500 0.000 0.000 2.310 340 R HA 0.086 4.426 4.340 -0.000 0.000 0.202 340 R C 1.061 177.369 176.300 0.014 0.000 0.933 340 R CA 0.642 56.752 56.100 0.017 0.000 1.054 340 R CB 0.626 30.938 30.300 0.019 0.000 0.985 340 R HN 0.262 nan 8.270 nan 0.000 0.489 341 G N 1.045 109.849 108.800 0.006 0.000 2.179 341 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 341 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 341 G C 0.344 175.258 174.900 0.023 0.000 0.977 341 G CA 0.124 45.233 45.100 0.014 0.000 0.641 341 G HN 0.155 nan 8.290 nan 0.000 0.533 342 V N 1.511 121.435 119.914 0.016 0.000 2.617 342 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 342 V C 1.025 177.140 176.094 0.034 0.000 1.040 342 V CA 0.310 62.623 62.300 0.023 0.000 1.149 342 V CB 1.218 33.045 31.823 0.007 0.000 0.914 342 V HN 0.535 nan 8.190 nan 0.000 0.487 343 L N 7.229 128.491 121.223 0.066 0.000 2.283 343 L HA 0.363 4.703 4.340 -0.000 0.000 0.287 343 L C -0.345 176.573 176.870 0.081 0.000 1.073 343 L CA 0.470 55.371 54.840 0.102 0.000 0.822 343 L CB 0.395 42.558 42.059 0.173 0.000 1.186 343 L HN 0.598 nan 8.230 nan 0.000 0.436 344 L N 6.688 127.938 121.223 0.044 0.000 2.272 344 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 344 L C -0.909 175.967 176.870 0.009 0.000 1.032 344 L CA -0.600 54.250 54.840 0.016 0.000 0.810 344 L CB 1.690 43.738 42.059 -0.018 0.000 1.205 344 L HN 0.376 nan 8.230 nan 0.000 0.422 345 V N 7.217 127.150 119.914 0.031 0.000 2.304 345 V HA 0.276 4.396 4.120 -0.000 0.000 0.269 345 V C -2.025 174.061 176.094 -0.014 0.000 1.036 345 V CA -1.604 60.708 62.300 0.020 0.000 0.840 345 V CB 0.985 32.887 31.823 0.132 0.000 1.036 345 V HN 0.671 nan 8.190 nan 0.000 0.466 346 P HA 0.127 nan 4.420 nan 0.000 0.272 346 P C 0.398 177.652 177.300 -0.077 0.000 1.223 346 P CA -0.253 62.808 63.100 -0.064 0.000 0.784 346 P CB 0.715 32.379 31.700 -0.059 0.000 0.923 347 D N 2.684 123.014 120.400 -0.116 0.000 2.116 347 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 347 D C 1.568 177.789 176.300 -0.133 0.000 0.998 347 D CA 1.708 55.627 54.000 -0.136 0.000 0.836 347 D CB -1.367 39.302 40.800 -0.217 0.000 0.951 347 D HN 0.546 nan 8.370 nan 0.000 0.449 348 I N -2.157 118.308 120.570 -0.174 0.000 2.700 348 I HA -0.101 4.069 4.170 -0.000 0.000 0.261 348 I C 2.110 178.173 176.117 -0.089 0.000 1.219 348 I CA 0.807 62.019 61.300 -0.147 0.000 1.463 348 I CB -0.271 37.605 38.000 -0.207 0.000 1.092 348 I HN 0.035 nan 8.210 nan 0.000 0.452 349 L N 1.995 123.176 121.223 -0.071 0.000 2.121 349 L HA 0.305 4.645 4.340 -0.000 0.000 0.200 349 L C 2.674 179.538 176.870 -0.010 0.000 1.077 349 L CA 1.913 56.730 54.840 -0.039 0.000 0.766 349 L CB -1.076 40.951 42.059 -0.052 0.000 0.931 349 L HN 0.142 nan 8.230 nan 0.000 0.452 350 A N -0.315 122.502 122.820 -0.006 0.000 1.917 350 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 350 A C 2.254 179.833 177.584 -0.007 0.000 1.182 350 A CA 2.327 54.372 52.037 0.013 0.000 0.633 350 A CB -1.212 17.793 19.000 0.008 0.000 0.819 350 A HN 0.695 nan 8.150 nan 0.000 0.448 351 S N -1.155 114.530 115.700 -0.025 0.000 2.597 351 S HA 0.510 4.979 4.470 -0.000 0.000 0.224 351 S C 1.406 175.989 174.600 -0.028 0.000 0.955 351 S CA 0.605 58.789 58.200 -0.027 0.000 0.933 351 S CB 0.036 63.219 63.200 -0.029 0.000 0.788 351 S HN 0.811 nan 8.310 nan 0.000 0.488 352 A N 1.308 124.112 122.820 -0.028 0.000 2.216 352 A HA 0.336 4.656 4.320 -0.000 0.000 0.214 352 A C 2.074 179.634 177.584 -0.040 0.000 1.160 352 A CA 0.879 52.897 52.037 -0.033 0.000 0.725 352 A CB -1.241 17.741 19.000 -0.030 0.000 0.784 352 A HN 0.646 nan 8.150 nan 0.000 0.472 353 G N -0.202 108.576 108.800 -0.036 0.000 2.422 353 G HA2 0.036 3.996 3.960 -0.000 0.000 0.218 353 G HA3 0.036 3.996 3.960 -0.000 0.000 0.218 353 G C 1.420 176.289 174.900 -0.052 0.000 1.140 353 G CA 1.108 46.182 45.100 -0.042 0.000 0.775 353 G HN 0.599 nan 8.290 nan 0.000 0.545 354 G N 0.213 108.986 108.800 -0.044 0.000 2.414 354 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 354 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 354 G C 1.746 176.618 174.900 -0.047 0.000 1.188 354 G CA 1.074 46.150 45.100 -0.041 0.000 0.783 354 G HN 0.339 nan 8.290 nan 0.000 0.537 355 V N 0.934 120.822 119.914 -0.043 0.000 2.515 355 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 355 V C 3.010 179.071 176.094 -0.055 0.000 1.058 355 V CA 2.735 65.019 62.300 -0.027 0.000 1.064 355 V CB -0.654 31.162 31.823 -0.012 0.000 0.675 355 V HN 0.416 nan 8.190 nan 0.000 0.461 356 T N -0.051 114.427 114.554 -0.127 0.000 2.684 356 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 356 T C 1.808 176.159 174.700 -0.582 0.000 1.036 356 T CA 1.941 63.862 62.100 -0.299 0.000 1.148 356 T CB -0.276 68.448 68.868 -0.241 0.000 0.863 356 T HN 0.395 nan 8.240 nan 0.000 0.436 357 V N 2.026 121.743 119.914 -0.329 0.000 2.667 357 V HA -0.113 4.006 4.120 -0.000 0.000 0.252 357 V C 2.778 178.835 176.094 -0.060 0.000 1.065 357 V CA 1.655 63.839 62.300 -0.193 0.000 1.083 357 V CB -0.760 31.086 31.823 0.039 0.000 0.692 357 V HN 0.657 nan 8.190 nan 0.000 0.468 358 S N 0.009 115.691 115.700 -0.030 0.000 2.383 358 S HA -0.277 4.192 4.470 -0.000 0.000 0.227 358 S C 2.044 176.738 174.600 0.157 0.000 1.026 358 S CA 1.553 59.779 58.200 0.043 0.000 0.981 358 S CB -0.758 62.447 63.200 0.008 0.000 0.818 358 S HN 0.623 nan 8.310 nan 0.000 0.472 359 Y N 2.308 122.620 120.300 0.020 0.000 2.114 359 Y HA -0.135 4.415 4.550 -0.000 0.000 0.282 359 Y C 1.739 177.779 175.900 0.234 0.000 1.165 359 Y CA 1.425 59.601 58.100 0.126 0.000 1.148 359 Y CB -0.916 37.466 38.460 -0.130 0.000 0.972 359 Y HN 0.246 nan 8.280 nan 0.000 0.504 360 F N 0.974 120.879 119.950 -0.077 0.000 2.161 360 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 360 F C 2.609 178.158 175.800 -0.418 0.000 1.089 360 F CA 1.456 59.269 58.000 -0.313 0.000 1.282 360 F CB -1.368 37.620 39.000 -0.021 0.000 1.010 360 F HN 0.259 nan 8.300 nan 0.000 0.485 361 E N -0.620 119.586 120.200 0.010 0.000 2.058 361 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 361 E C 2.259 178.849 176.600 -0.017 0.000 0.997 361 E CA 1.751 58.136 56.400 -0.025 0.000 0.801 361 E CB -0.574 29.161 29.700 0.058 0.000 0.746 361 E HN 0.442 nan 8.360 nan 0.000 0.450 362 W N 0.782 122.022 121.300 -0.099 0.000 2.335 362 W HA -0.226 4.433 4.660 -0.000 0.000 0.311 362 W C 2.059 178.490 176.519 -0.146 0.000 1.213 362 W CA 1.789 59.106 57.345 -0.046 0.000 1.274 362 W CB -0.549 28.983 29.460 0.120 0.000 1.148 362 W HN -0.051 nan 8.180 nan 0.000 0.498 363 V N 0.853 120.661 119.914 -0.176 0.000 2.324 363 V HA -0.385 3.735 4.120 -0.000 0.000 0.250 363 V C 2.276 178.069 176.094 -0.501 0.000 1.060 363 V CA 2.515 64.566 62.300 -0.414 0.000 1.042 363 V CB -1.057 30.558 31.823 -0.347 0.000 0.650 363 V HN 0.312 nan 8.190 nan 0.000 0.450 364 Q N -0.438 118.963 119.800 -0.666 0.000 2.123 364 Q HA -0.146 4.194 4.340 -0.000 0.000 0.199 364 Q C 2.218 177.795 176.000 -0.705 0.000 0.966 364 Q CA 1.326 56.603 55.803 -0.878 0.000 0.845 364 Q CB -0.197 27.811 28.738 -1.216 0.000 0.907 364 Q HN 0.656 nan 8.270 nan 0.000 0.439 365 N N 0.864 119.316 118.700 -0.413 0.000 2.104 365 N HA -0.141 4.598 4.740 -0.000 0.000 0.190 365 N C 1.331 176.701 175.510 -0.234 0.000 1.024 365 N CA 1.062 53.996 53.050 -0.193 0.000 0.853 365 N CB -0.420 38.027 38.487 -0.066 0.000 1.008 365 N HN 0.257 nan 8.380 nan 0.000 0.424 366 N N 1.359 119.824 118.700 -0.391 0.000 2.120 366 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 366 N C 1.676 177.055 175.510 -0.218 0.000 1.024 366 N CA 0.949 53.780 53.050 -0.364 0.000 0.852 366 N CB -0.271 37.892 38.487 -0.539 0.000 1.003 366 N HN 0.501 nan 8.380 nan 0.000 0.424 367 Q N -0.624 119.046 119.800 -0.216 0.000 2.187 367 Q HA 0.113 4.453 4.340 -0.000 0.000 0.199 367 Q C 0.659 176.618 176.000 -0.067 0.000 0.957 367 Q CA 0.684 56.415 55.803 -0.120 0.000 0.857 367 Q CB 0.174 28.863 28.738 -0.081 0.000 0.929 367 Q HN 0.445 nan 8.270 nan 0.000 0.453 368 G N 0.832 109.571 108.800 -0.102 0.000 2.225 368 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 368 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 368 G C -0.766 174.192 174.900 0.097 0.000 1.060 368 G CA 0.451 45.564 45.100 0.022 0.000 0.833 368 G HN 0.359 nan 8.290 nan 0.000 0.498 369 Y N -0.695 119.387 120.300 -0.364 0.000 2.441 369 Y HA 0.600 5.150 4.550 -0.000 0.000 0.334 369 Y C -0.877 174.645 175.900 -0.631 0.000 1.061 369 Y CA -1.753 56.200 58.100 -0.246 0.000 1.032 369 Y CB 1.232 39.648 38.460 -0.073 0.000 1.266 369 Y HN 0.167 nan 8.280 nan 0.000 0.441 370 Y N 4.250 124.222 120.300 -0.546 0.000 2.360 370 Y HA 0.406 4.956 4.550 -0.000 0.000 0.337 370 Y C -0.717 175.040 175.900 -0.238 0.000 1.039 370 Y CA -0.669 57.190 58.100 -0.400 0.000 1.109 370 Y CB 1.002 39.297 38.460 -0.275 0.000 1.201 370 Y HN 0.490 nan 8.280 nan 0.000 0.458 371 W N 1.463 122.680 121.300 -0.139 0.000 2.448 371 W HA 0.467 5.127 4.660 -0.000 0.000 0.339 371 W C 0.330 176.813 176.519 -0.060 0.000 1.124 371 W CA -1.765 55.512 57.345 -0.113 0.000 1.262 371 W CB 0.990 30.384 29.460 -0.111 0.000 1.251 371 W HN 0.542 nan 8.180 nan 0.000 0.597 372 S N -0.354 115.448 115.700 0.171 0.000 2.608 372 S HA 0.013 4.483 4.470 -0.000 0.000 0.261 372 S C 1.024 175.686 174.600 0.103 0.000 1.314 372 S CA -0.002 58.254 58.200 0.092 0.000 0.992 372 S CB 1.154 64.381 63.200 0.045 0.000 0.935 372 S HN 0.583 nan 8.310 nan 0.000 0.564 373 E N 0.449 120.691 120.200 0.070 0.000 2.110 373 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 373 E C 1.520 178.154 176.600 0.057 0.000 0.988 373 E CA 1.461 57.902 56.400 0.068 0.000 0.804 373 E CB -0.191 29.538 29.700 0.047 0.000 0.745 373 E HN 0.791 nan 8.360 nan 0.000 0.458 374 E N 0.870 121.090 120.200 0.033 0.000 2.077 374 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 374 E C 1.901 178.495 176.600 -0.010 0.000 0.989 374 E CA 1.485 57.893 56.400 0.012 0.000 0.800 374 E CB -0.139 29.560 29.700 -0.001 0.000 0.746 374 E HN 0.357 nan 8.360 nan 0.000 0.452 375 E N 0.251 120.435 120.200 -0.027 0.000 2.038 375 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 375 E C 2.137 178.671 176.600 -0.110 0.000 1.000 375 E CA 1.411 57.742 56.400 -0.115 0.000 0.803 375 E CB -0.155 29.435 29.700 -0.184 0.000 0.750 375 E HN 0.029 nan 8.360 nan 0.000 0.448 376 V N 1.366 121.301 119.914 0.035 0.000 2.287 376 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 376 V C 2.318 178.481 176.094 0.116 0.000 1.053 376 V CA 1.940 64.305 62.300 0.107 0.000 1.027 376 V CB -0.829 31.146 31.823 0.254 0.000 0.646 376 V HN 0.370 nan 8.190 nan 0.000 0.447 377 A N -0.844 122.029 122.820 0.088 0.000 1.908 377 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 377 A C 2.304 179.918 177.584 0.050 0.000 1.181 377 A CA 2.139 54.222 52.037 0.078 0.000 0.627 377 A CB -0.503 18.531 19.000 0.057 0.000 0.818 377 A HN 0.626 nan 8.150 nan 0.000 0.445 378 E N -0.323 119.879 120.200 0.003 0.000 2.072 378 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 378 E C 1.994 178.586 176.600 -0.012 0.000 0.982 378 E CA 1.223 57.611 56.400 -0.020 0.000 0.803 378 E CB -0.056 29.607 29.700 -0.062 0.000 0.755 378 E HN 0.631 nan 8.360 nan 0.000 0.453 379 K N 0.314 120.680 120.400 -0.056 0.000 2.057 379 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 379 K C 2.209 178.959 176.600 0.250 0.000 1.050 379 K CA 0.759 57.026 56.287 -0.032 0.000 0.935 379 K CB -0.167 32.080 32.500 -0.422 0.000 0.715 379 K HN 0.076 nan 8.250 nan 0.000 0.439 380 L N 1.837 123.271 121.223 0.352 0.000 2.012 380 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 380 L C 2.388 179.356 176.870 0.164 0.000 1.073 380 L CA 1.749 56.792 54.840 0.339 0.000 0.748 380 L CB -0.486 41.737 42.059 0.272 0.000 0.891 380 L HN 0.056 nan 8.230 nan 0.000 0.431 381 R N -0.951 119.609 120.500 0.101 0.000 2.083 381 R HA -0.191 4.148 4.340 -0.000 0.000 0.237 381 R C 2.513 178.843 176.300 0.050 0.000 1.137 381 R CA 1.849 57.977 56.100 0.047 0.000 0.951 381 R CB -0.582 29.731 30.300 0.022 0.000 0.851 381 R HN 0.574 nan 8.270 nan 0.000 0.434 382 S N -0.546 115.192 115.700 0.062 0.000 2.406 382 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 382 S C 1.932 176.581 174.600 0.080 0.000 1.020 382 S CA 1.122 59.355 58.200 0.055 0.000 0.965 382 S CB -0.105 63.118 63.200 0.039 0.000 0.798 382 S HN 0.234 nan 8.310 nan 0.000 0.488 383 V N 2.390 122.379 119.914 0.125 0.000 2.295 383 V HA -0.148 3.971 4.120 -0.000 0.000 0.246 383 V C 2.701 178.845 176.094 0.082 0.000 1.049 383 V CA 1.919 64.290 62.300 0.117 0.000 1.024 383 V CB -0.580 31.337 31.823 0.156 0.000 0.648 383 V HN 0.513 nan 8.190 nan 0.000 0.447 384 M N -0.781 118.864 119.600 0.075 0.000 2.200 384 M HA -0.069 4.411 4.480 -0.000 0.000 0.265 384 M C 2.252 178.604 176.300 0.087 0.000 1.066 384 M CA 1.365 56.705 55.300 0.067 0.000 1.127 384 M CB -1.110 31.514 32.600 0.040 0.000 1.379 384 M HN 0.257 nan 8.290 nan 0.000 0.420 385 V N -0.218 119.729 119.914 0.054 0.000 2.295 385 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 385 V C 2.670 178.818 176.094 0.091 0.000 1.049 385 V CA 2.132 64.457 62.300 0.042 0.000 1.024 385 V CB -0.896 30.928 31.823 0.002 0.000 0.648 385 V HN 0.511 nan 8.190 nan 0.000 0.447 386 S N -0.483 115.263 115.700 0.077 0.000 2.356 386 S HA -0.210 4.260 4.470 -0.000 0.000 0.223 386 S C 2.240 176.896 174.600 0.094 0.000 1.032 386 S CA 2.126 60.373 58.200 0.078 0.000 1.005 386 S CB -0.322 62.915 63.200 0.061 0.000 0.867 386 S HN 0.607 nan 8.310 nan 0.000 0.449 387 S N 0.536 116.291 115.700 0.091 0.000 2.370 387 S HA -0.060 4.410 4.470 -0.000 0.000 0.226 387 S C 1.425 176.087 174.600 0.103 0.000 1.033 387 S CA 1.446 59.692 58.200 0.077 0.000 1.011 387 S CB -0.647 62.586 63.200 0.055 0.000 0.852 387 S HN 0.654 nan 8.310 nan 0.000 0.457 388 F N 2.396 122.354 119.950 0.014 0.000 2.069 388 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 388 F C 2.608 178.439 175.800 0.051 0.000 1.113 388 F CA 1.595 59.609 58.000 0.022 0.000 1.214 388 F CB -0.114 38.880 39.000 -0.011 0.000 0.978 388 F HN 0.077 nan 8.300 nan 0.000 0.474 389 E N -0.226 120.170 120.200 0.326 0.000 2.077 389 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 389 E C 2.372 179.069 176.600 0.162 0.000 0.989 389 E CA 1.752 58.299 56.400 0.244 0.000 0.800 389 E CB -0.877 28.919 29.700 0.160 0.000 0.746 389 E HN 0.488 nan 8.360 nan 0.000 0.452 390 T N -0.298 114.321 114.554 0.108 0.000 2.833 390 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 390 T C 2.039 176.766 174.700 0.045 0.000 1.054 390 T CA 1.195 63.340 62.100 0.074 0.000 1.135 390 T CB -0.193 68.708 68.868 0.056 0.000 0.869 390 T HN 0.090 nan 8.240 nan 0.000 0.466 391 I N -0.941 119.630 120.570 0.001 0.000 2.480 391 I HA 0.074 4.243 4.170 -0.000 0.000 0.251 391 I C 2.219 178.310 176.117 -0.044 0.000 1.124 391 I CA 0.777 62.048 61.300 -0.047 0.000 1.444 391 I CB -0.376 37.557 38.000 -0.112 0.000 1.098 391 I HN 0.236 nan 8.210 nan 0.000 0.428 392 Y N 1.828 122.019 120.300 -0.182 0.000 2.165 392 Y HA -0.310 4.240 4.550 -0.000 0.000 0.286 392 Y C 2.649 178.532 175.900 -0.028 0.000 1.155 392 Y CA 1.689 59.709 58.100 -0.133 0.000 1.164 392 Y CB 0.038 38.439 38.460 -0.098 0.000 0.978 392 Y HN 0.139 nan 8.280 nan 0.000 0.513 393 Q N -0.743 119.147 119.800 0.150 0.000 2.123 393 Q HA -0.112 4.228 4.340 -0.000 0.000 0.199 393 Q C 2.240 178.273 176.000 0.054 0.000 0.966 393 Q CA 1.820 57.681 55.803 0.096 0.000 0.845 393 Q CB -0.878 27.936 28.738 0.125 0.000 0.907 393 Q HN 0.464 nan 8.270 nan 0.000 0.439 394 T N 1.584 116.175 114.554 0.061 0.000 2.720 394 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 394 T C 1.869 176.610 174.700 0.067 0.000 1.037 394 T CA 1.589 63.748 62.100 0.099 0.000 1.144 394 T CB -0.243 68.635 68.868 0.016 0.000 0.864 394 T HN 0.418 nan 8.240 nan 0.000 0.444 395 A N 1.354 124.146 122.820 -0.048 0.000 1.902 395 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 395 A C 2.643 180.168 177.584 -0.097 0.000 1.181 395 A CA 1.807 53.785 52.037 -0.098 0.000 0.623 395 A CB -1.101 17.785 19.000 -0.191 0.000 0.818 395 A HN 0.510 nan 8.150 nan 0.000 0.443 396 A N -0.558 122.174 122.820 -0.146 0.000 1.855 396 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 396 A C 2.522 180.077 177.584 -0.050 0.000 1.191 396 A CA 2.656 54.618 52.037 -0.125 0.000 0.613 396 A CB -1.408 17.513 19.000 -0.131 0.000 0.829 396 A HN 0.757 nan 8.150 nan 0.000 0.442 397 T N -2.294 112.252 114.554 -0.013 0.000 2.821 397 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 397 T C 1.570 176.205 174.700 -0.108 0.000 1.046 397 T CA 1.625 63.689 62.100 -0.059 0.000 1.139 397 T CB -0.665 68.150 68.868 -0.088 0.000 0.871 397 T HN 0.634 nan 8.240 nan 0.000 0.454 398 H N 1.124 120.168 119.070 -0.043 0.000 2.539 398 H HA 0.273 4.829 4.556 -0.000 0.000 0.269 398 H C 0.298 175.598 175.328 -0.047 0.000 0.980 398 H CA 0.151 56.176 56.048 -0.039 0.000 1.152 398 H CB 0.112 29.855 29.762 -0.032 0.000 1.407 398 H HN 0.463 nan 8.280 nan 0.000 0.564 399 K N 0.777 121.198 120.400 0.034 0.000 3.244 399 K HA -0.142 4.178 4.320 -0.000 0.000 0.270 399 K C -0.507 176.086 176.600 -0.012 0.000 1.016 399 K CA 0.472 56.753 56.287 -0.010 0.000 0.754 399 K CB -1.604 30.885 32.500 -0.018 0.000 1.326 399 K HN 0.184 nan 8.250 nan 0.000 0.465 400 V N -2.363 117.539 119.914 -0.020 0.000 3.001 400 V HA 0.516 4.636 4.120 -0.000 0.000 0.314 400 V C 0.240 176.292 176.094 -0.069 0.000 1.099 400 V CA -1.061 61.214 62.300 -0.041 0.000 0.989 400 V CB 1.913 33.712 31.823 -0.039 0.000 1.040 400 V HN 0.331 nan 8.190 nan 0.000 0.434 401 D N 1.967 122.322 120.400 -0.074 0.000 2.364 401 D HA 0.013 4.652 4.640 -0.000 0.000 0.236 401 D C 0.978 177.224 176.300 -0.090 0.000 1.221 401 D CA -0.233 53.718 54.000 -0.083 0.000 0.891 401 D CB 0.442 41.194 40.800 -0.080 0.000 1.190 401 D HN 0.419 nan 8.370 nan 0.000 0.449 402 M N 0.043 119.588 119.600 -0.092 0.000 2.296 402 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 402 M C 2.057 178.314 176.300 -0.072 0.000 1.064 402 M CA 1.193 56.435 55.300 -0.098 0.000 1.109 402 M CB -0.789 31.752 32.600 -0.098 0.000 1.396 402 M HN 0.646 nan 8.290 nan 0.000 0.430 403 R N 0.486 120.947 120.500 -0.065 0.000 2.057 403 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 403 R C 2.230 178.516 176.300 -0.024 0.000 1.136 403 R CA 0.866 56.945 56.100 -0.036 0.000 0.952 403 R CB -0.291 29.963 30.300 -0.077 0.000 0.848 403 R HN 0.282 nan 8.270 nan 0.000 0.430 404 L N 0.632 121.792 121.223 -0.105 0.000 2.043 404 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 404 L C 2.425 179.272 176.870 -0.038 0.000 1.075 404 L CA 1.765 56.542 54.840 -0.105 0.000 0.752 404 L CB -0.475 41.516 42.059 -0.114 0.000 0.891 404 L HN 0.397 nan 8.230 nan 0.000 0.432 405 A N -0.584 122.204 122.820 -0.053 0.000 1.902 405 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 405 A C 2.425 179.997 177.584 -0.020 0.000 1.181 405 A CA 1.654 53.654 52.037 -0.061 0.000 0.623 405 A CB -0.704 18.249 19.000 -0.078 0.000 0.818 405 A HN 0.546 nan 8.150 nan 0.000 0.443 406 A N -1.486 121.341 122.820 0.012 0.000 1.902 406 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 406 A C 2.091 179.724 177.584 0.081 0.000 1.181 406 A CA 1.603 53.656 52.037 0.027 0.000 0.623 406 A CB -0.772 18.242 19.000 0.023 0.000 0.818 406 A HN 0.553 nan 8.150 nan 0.000 0.443 407 Y N -0.525 119.741 120.300 -0.057 0.000 2.242 407 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 407 Y C 2.555 178.439 175.900 -0.026 0.000 1.137 407 Y CA 1.556 59.639 58.100 -0.029 0.000 1.181 407 Y CB -0.453 37.994 38.460 -0.021 0.000 0.989 407 Y HN 0.232 nan 8.280 nan 0.000 0.527 408 M N -0.901 118.763 119.600 0.107 0.000 2.086 408 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 408 M C 2.363 178.672 176.300 0.014 0.000 1.067 408 M CA 2.383 57.699 55.300 0.027 0.000 1.116 408 M CB -0.704 31.849 32.600 -0.079 0.000 1.348 408 M HN 0.358 nan 8.290 nan 0.000 0.407 409 T N -1.952 112.601 114.554 -0.001 0.000 2.904 409 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 409 T C 1.856 176.554 174.700 -0.003 0.000 1.059 409 T CA 1.330 63.428 62.100 -0.003 0.000 1.137 409 T CB -0.989 67.872 68.868 -0.010 0.000 0.879 409 T HN 0.465 nan 8.240 nan 0.000 0.467 410 G N 2.198 110.990 108.800 -0.014 0.000 2.402 410 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.216 410 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.216 410 G C 1.418 176.308 174.900 -0.017 0.000 1.162 410 G CA 1.117 46.194 45.100 -0.038 0.000 0.777 410 G HN 0.694 nan 8.290 nan 0.000 0.539 411 I N -1.232 119.344 120.570 0.009 0.000 3.226 411 I HA 0.325 4.495 4.170 -0.000 0.000 0.277 411 I C 2.193 178.317 176.117 0.012 0.000 1.243 411 I CA -0.230 61.084 61.300 0.023 0.000 1.459 411 I CB -0.409 37.617 38.000 0.043 0.000 1.093 411 I HN -0.008 nan 8.210 nan 0.000 0.453 412 R N 1.564 122.083 120.500 0.032 0.000 2.133 412 R HA -0.283 4.057 4.340 -0.000 0.000 0.245 412 R C 2.052 178.381 176.300 0.049 0.000 1.137 412 R CA 2.070 58.207 56.100 0.062 0.000 0.947 412 R CB -0.095 30.244 30.300 0.066 0.000 0.865 412 R HN 0.207 nan 8.270 nan 0.000 0.437 413 K N -0.148 120.270 120.400 0.030 0.000 2.001 413 K HA 0.014 4.333 4.320 -0.000 0.000 0.208 413 K C 2.152 178.754 176.600 0.005 0.000 1.048 413 K CA 1.814 58.118 56.287 0.027 0.000 0.932 413 K CB -0.359 32.146 32.500 0.009 0.000 0.715 413 K HN 0.062 nan 8.250 nan 0.000 0.437 414 S N 0.558 116.251 115.700 -0.012 0.000 2.374 414 S HA -0.213 4.256 4.470 -0.000 0.000 0.227 414 S C 2.019 176.571 174.600 -0.081 0.000 1.037 414 S CA 1.370 59.548 58.200 -0.037 0.000 1.024 414 S CB -0.494 62.701 63.200 -0.008 0.000 0.861 414 S HN 0.460 nan 8.310 nan 0.000 0.456 415 A N 1.542 124.295 122.820 -0.111 0.000 1.877 415 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 415 A C 2.032 179.535 177.584 -0.135 0.000 1.186 415 A CA 1.630 53.512 52.037 -0.258 0.000 0.620 415 A CB -0.619 18.052 19.000 -0.549 0.000 0.822 415 A HN 0.572 nan 8.150 nan 0.000 0.443 416 E N -0.340 119.864 120.200 0.007 0.000 2.077 416 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 416 E C 2.303 178.948 176.600 0.075 0.000 0.989 416 E CA 0.964 57.411 56.400 0.078 0.000 0.800 416 E CB -0.293 29.500 29.700 0.155 0.000 0.746 416 E HN 0.620 nan 8.360 nan 0.000 0.452 417 A N 0.914 123.754 122.820 0.033 0.000 1.930 417 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 417 A C 2.321 179.746 177.584 -0.265 0.000 1.175 417 A CA 1.427 53.445 52.037 -0.030 0.000 0.627 417 A CB -0.321 18.624 19.000 -0.091 0.000 0.815 417 A HN 0.097 nan 8.150 nan 0.000 0.443 418 S N -0.696 114.803 115.700 -0.336 0.000 2.383 418 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 418 S C 2.170 176.567 174.600 -0.338 0.000 1.026 418 S CA 0.876 58.762 58.200 -0.524 0.000 0.981 418 S CB -0.296 62.806 63.200 -0.163 0.000 0.818 418 S HN 0.500 nan 8.310 nan 0.000 0.472 419 R N 0.280 120.684 120.500 -0.160 0.000 2.070 419 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 419 R C 1.945 178.175 176.300 -0.117 0.000 1.138 419 R CA 1.338 57.371 56.100 -0.111 0.000 0.936 419 R CB -0.851 29.379 30.300 -0.117 0.000 0.839 419 R HN 0.391 nan 8.270 nan 0.000 0.429 420 F N 0.967 120.844 119.950 -0.121 0.000 2.202 420 F HA -0.155 4.371 4.527 -0.000 0.000 0.301 420 F C 2.414 178.125 175.800 -0.148 0.000 1.082 420 F CA 1.316 59.252 58.000 -0.107 0.000 1.313 420 F CB -0.132 38.808 39.000 -0.100 0.000 1.024 420 F HN -0.046 nan 8.300 nan 0.000 0.495 421 R N -0.322 120.106 120.500 -0.119 0.000 2.299 421 R HA 0.123 4.463 4.340 -0.000 0.000 0.197 421 R C 1.525 177.782 176.300 -0.072 0.000 0.971 421 R CA 0.799 56.759 56.100 -0.234 0.000 1.030 421 R CB -0.458 29.390 30.300 -0.752 0.000 0.932 421 R HN 0.391 nan 8.270 nan 0.000 0.477 422 G N 0.094 108.883 108.800 -0.018 0.000 2.136 422 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 422 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 422 G C 0.318 175.407 174.900 0.315 0.000 0.989 422 G CA 0.118 45.300 45.100 0.136 0.000 0.682 422 G HN 0.292 nan 8.290 nan 0.000 0.522 423 W N -0.163 121.152 121.300 0.024 0.000 2.453 423 W HA 0.418 5.078 4.660 -0.000 0.000 0.289 423 W C 1.480 178.001 176.519 0.003 0.000 1.215 423 W CA 1.156 58.506 57.345 0.008 0.000 1.297 423 W CB -0.774 28.684 29.460 -0.004 0.000 1.113 423 W HN 0.784 nan 8.180 nan 0.000 0.551 424 V N 0.000 120.058 119.914 0.239 0.000 2.409 424 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 424 V CA 0.000 62.383 62.300 0.139 0.000 1.235 424 V CB 0.000 31.893 31.823 0.116 0.000 1.184 424 V HN 0.000 nan 8.190 nan 0.000 0.556