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 3n6r_1_B DATA FIRST_RESID 36 DATA SEQUENCE LEQLEDRRAA ARLGGGQKRI DAQHGRGKLT ARERVDLLLD EGSFEEFDMF DATA SEQUENCE VTHRCTDFNM XXQDQKPAGD GVVTGWGTIN GRVVYVFSQD FTVLGGSVSE DATA SEQUENCE THSKKICKIM DMAMQNGAPV IGINDSGGAR IQEGVDSLAG YGEVFQRNIM DATA SEQUENCE ASGVVPQISM IMGPCAGGAV YSPAMTDFIF MVKDSSYMFV TGPDVVKTVT DATA SEQUENCE NEQVSAEELG GATTHTRKSS VADAAFENDV EALAEVRRLV DFLPLNNREK DATA SEQUENCE PPVRPFFDDP DRIEPSLDTL VPDNPNTPYD MKELIHKLAD EGDFYEIQEE DATA SEQUENCE FAKNIITGFI RLEGRTVGVV ANQPLVLAGC LDIDSSRKAA RFVRFCDAFE DATA SEQUENCE IPLLTLIDVP GFLPGTSQEY GGVIKHGAKL LYAYGEATVP MVTVITRKAY DATA SEQUENCE GGAYVVMSSK HLRADFNYAW PTAEVAVMGA KGATEIIHRG PEKIAQHTAD DATA SEQUENCE YEERFANPFV ASERGFVDEV IQPRSTRKRV ARAFASLRNK SVQMPWKKHD DATA SEQUENCE NIPL 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 36 L HA 0.000 nan 4.340 nan 0.000 0.249 36 L C 0.000 176.873 176.870 0.005 0.000 1.165 36 L CA 0.000 54.842 54.840 0.004 0.000 0.813 36 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 37 E N 1.454 121.655 120.200 0.002 0.000 2.511 37 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 37 E C 1.070 177.669 176.600 -0.001 0.000 1.066 37 E CA 0.442 56.845 56.400 0.004 0.000 0.871 37 E CB 0.323 30.024 29.700 0.003 0.000 0.863 37 E HN 0.560 nan 8.360 nan 0.000 0.520 38 Q N -0.013 119.781 119.800 -0.009 0.000 2.123 38 Q HA -0.102 4.238 4.340 -0.000 0.000 0.199 38 Q C 2.164 178.147 176.000 -0.029 0.000 0.966 38 Q CA 0.619 56.408 55.803 -0.023 0.000 0.845 38 Q CB -0.116 28.604 28.738 -0.031 0.000 0.907 38 Q HN 0.176 nan 8.270 nan 0.000 0.439 39 L N 1.628 122.845 121.223 -0.011 0.000 1.989 39 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 39 L C 2.050 178.943 176.870 0.037 0.000 1.071 39 L CA 1.899 56.745 54.840 0.011 0.000 0.749 39 L CB -0.533 41.552 42.059 0.043 0.000 0.890 39 L HN 0.054 nan 8.230 nan 0.000 0.431 40 E N 0.169 120.390 120.200 0.035 0.000 2.147 40 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 40 E C 1.919 178.542 176.600 0.037 0.000 1.005 40 E CA 1.493 57.918 56.400 0.042 0.000 0.810 40 E CB -0.493 29.223 29.700 0.027 0.000 0.736 40 E HN 0.626 nan 8.360 nan 0.000 0.460 41 D N 0.049 120.457 120.400 0.013 0.000 2.077 41 D HA -0.095 4.545 4.640 -0.000 0.000 0.196 41 D C 2.100 178.400 176.300 -0.000 0.000 0.986 41 D CA 0.715 54.717 54.000 0.003 0.000 0.829 41 D CB -0.339 40.452 40.800 -0.015 0.000 0.983 41 D HN 0.081 nan 8.370 nan 0.000 0.453 42 R N 0.358 120.832 120.500 -0.044 0.000 2.112 42 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 42 R C 2.372 178.711 176.300 0.064 0.000 1.137 42 R CA 1.485 57.516 56.100 -0.115 0.000 0.944 42 R CB -0.025 30.063 30.300 -0.354 0.000 0.857 42 R HN -0.028 nan 8.270 nan 0.000 0.435 43 R N -0.145 120.462 120.500 0.180 0.000 2.122 43 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 43 R C 2.155 178.556 176.300 0.168 0.000 1.129 43 R CA 2.173 58.443 56.100 0.283 0.000 0.925 43 R CB -0.767 29.648 30.300 0.191 0.000 0.850 43 R HN 0.352 nan 8.270 nan 0.000 0.431 44 A N -0.121 122.758 122.820 0.098 0.000 2.024 44 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 44 A C 2.243 179.864 177.584 0.062 0.000 1.164 44 A CA 1.797 53.875 52.037 0.068 0.000 0.643 44 A CB -0.830 18.197 19.000 0.045 0.000 0.806 44 A HN 0.465 nan 8.150 nan 0.000 0.451 45 A N -0.029 122.828 122.820 0.061 0.000 1.873 45 A HA 0.194 4.514 4.320 -0.000 0.000 0.215 45 A C 2.536 180.162 177.584 0.070 0.000 1.186 45 A CA 1.973 54.037 52.037 0.046 0.000 0.616 45 A CB -1.118 17.893 19.000 0.020 0.000 0.823 45 A HN 1.047 nan 8.150 nan 0.000 0.442 46 A N 0.004 122.899 122.820 0.125 0.000 1.883 46 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 46 A C 2.168 179.810 177.584 0.095 0.000 1.186 46 A CA 1.604 53.730 52.037 0.149 0.000 0.624 46 A CB -0.592 18.574 19.000 0.277 0.000 0.822 46 A HN 0.537 nan 8.150 nan 0.000 0.444 47 R N -0.625 119.928 120.500 0.089 0.000 2.211 47 R HA -0.077 4.263 4.340 -0.000 0.000 0.240 47 R C 1.627 177.953 176.300 0.043 0.000 1.144 47 R CA 1.029 57.167 56.100 0.063 0.000 0.992 47 R CB -0.519 29.817 30.300 0.060 0.000 0.869 47 R HN 0.512 nan 8.270 nan 0.000 0.462 48 L N 0.088 121.335 121.223 0.040 0.000 2.478 48 L HA -0.011 4.329 4.340 -0.000 0.000 0.223 48 L C 1.322 178.200 176.870 0.013 0.000 1.140 48 L CA 0.475 55.330 54.840 0.024 0.000 0.842 48 L CB -0.735 41.337 42.059 0.022 0.000 0.953 48 L HN 0.392 nan 8.230 nan 0.000 0.452 49 G N 0.253 109.065 108.800 0.019 0.000 2.581 49 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.291 49 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.291 49 G C 0.802 175.702 174.900 -0.001 0.000 1.277 49 G CA -0.097 45.008 45.100 0.008 0.000 0.959 49 G HN 0.395 nan 8.290 nan 0.000 0.554 50 G N 0.403 109.192 108.800 -0.019 0.000 2.959 50 G HA2 0.518 4.478 3.960 -0.000 0.000 0.203 50 G HA3 0.518 4.478 3.960 -0.000 0.000 0.203 50 G C 1.369 176.255 174.900 -0.023 0.000 1.176 50 G CA 1.578 46.661 45.100 -0.028 0.000 0.860 50 G HN 2.571 nan 8.290 nan 0.000 0.507 51 G N -1.281 107.510 108.800 -0.014 0.000 2.692 51 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.686 51 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.686 51 G C 0.261 175.153 174.900 -0.013 0.000 1.243 51 G CA 0.218 45.312 45.100 -0.009 0.000 0.782 51 G HN 0.268 nan 8.290 nan 0.000 0.625 52 Q N 0.351 120.150 119.800 -0.003 0.000 2.248 52 Q HA -0.094 4.246 4.340 -0.000 0.000 0.208 52 Q C 2.448 178.449 176.000 0.002 0.000 0.984 52 Q CA 2.649 58.454 55.803 0.003 0.000 0.875 52 Q CB -0.174 28.572 28.738 0.013 0.000 0.910 52 Q HN 0.730 nan 8.270 nan 0.000 0.433 53 K N -0.620 119.780 120.400 -0.000 0.000 2.062 53 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 53 K C 2.000 178.598 176.600 -0.004 0.000 1.051 53 K CA 0.914 57.202 56.287 0.003 0.000 0.941 53 K CB 0.078 32.579 32.500 0.002 0.000 0.719 53 K HN 0.109 nan 8.250 nan 0.000 0.440 54 R N 0.366 120.854 120.500 -0.020 0.000 2.090 54 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 54 R C 2.322 178.594 176.300 -0.048 0.000 1.110 54 R CA 1.129 57.209 56.100 -0.033 0.000 0.973 54 R CB -0.230 30.038 30.300 -0.055 0.000 0.869 54 R HN 0.219 nan 8.270 nan 0.000 0.440 55 I N 1.322 121.850 120.570 -0.070 0.000 2.194 55 I HA -0.309 3.860 4.170 -0.000 0.000 0.246 55 I C 1.429 177.435 176.117 -0.185 0.000 1.093 55 I CA 1.298 62.500 61.300 -0.162 0.000 1.355 55 I CB -0.412 37.505 38.000 -0.138 0.000 1.046 55 I HN 0.153 nan 8.210 nan 0.000 0.413 56 D N 1.176 121.555 120.400 -0.034 0.000 2.117 56 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 56 D C 2.306 178.641 176.300 0.059 0.000 0.982 56 D CA 1.513 55.546 54.000 0.056 0.000 0.828 56 D CB -0.222 40.616 40.800 0.064 0.000 0.967 56 D HN 0.342 nan 8.370 nan 0.000 0.464 57 A N 1.054 123.893 122.820 0.033 0.000 1.873 57 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 57 A C 2.207 179.838 177.584 0.079 0.000 1.193 57 A CA 2.399 54.469 52.037 0.055 0.000 0.629 57 A CB -0.869 18.158 19.000 0.044 0.000 0.826 57 A HN 0.201 nan 8.150 nan 0.000 0.447 58 Q N -0.508 119.322 119.800 0.050 0.000 2.014 58 Q HA -0.245 4.095 4.340 -0.000 0.000 0.207 58 Q C 1.824 177.877 176.000 0.089 0.000 0.993 58 Q CA 2.578 58.422 55.803 0.067 0.000 0.850 58 Q CB -0.664 28.064 28.738 -0.016 0.000 0.916 58 Q HN 0.839 nan 8.270 nan 0.000 0.417 59 H N -1.370 117.733 119.070 0.054 0.000 2.426 59 H HA -0.116 4.440 4.556 -0.000 0.000 0.298 59 H C 1.758 177.107 175.328 0.035 0.000 1.107 59 H CA 0.446 56.515 56.048 0.035 0.000 1.298 59 H CB -0.177 29.601 29.762 0.026 0.000 1.377 59 H HN 0.540 nan 8.280 nan 0.000 0.519 60 G N 0.840 109.739 108.800 0.164 0.000 2.440 60 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 60 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 60 G C 1.439 176.393 174.900 0.090 0.000 1.154 60 G CA 0.491 45.655 45.100 0.107 0.000 0.767 60 G HN 0.378 nan 8.290 nan 0.000 0.552 61 R N 0.374 120.931 120.500 0.095 0.000 2.346 61 R HA 0.275 4.615 4.340 -0.000 0.000 0.225 61 R C 1.716 178.055 176.300 0.066 0.000 0.987 61 R CA 0.402 56.547 56.100 0.076 0.000 1.106 61 R CB -0.114 30.231 30.300 0.076 0.000 1.090 61 R HN 0.370 nan 8.270 nan 0.000 0.502 62 G N 1.499 110.345 108.800 0.077 0.000 2.168 62 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.263 62 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.263 62 G C -0.159 174.783 174.900 0.069 0.000 0.977 62 G CA 0.194 45.331 45.100 0.061 0.000 0.659 62 G HN 0.330 nan 8.290 nan 0.000 0.533 63 K N 0.324 120.777 120.400 0.089 0.000 2.201 63 K HA 0.627 4.947 4.320 -0.000 0.000 0.278 63 K C 0.850 177.537 176.600 0.146 0.000 1.027 63 K CA -0.723 55.610 56.287 0.076 0.000 0.909 63 K CB 1.689 34.209 32.500 0.033 0.000 1.062 63 K HN 0.184 nan 8.250 nan 0.000 0.465 64 L N 1.560 122.853 121.223 0.116 0.000 2.479 64 L HA 0.142 4.482 4.340 -0.000 0.000 0.248 64 L C 1.238 178.151 176.870 0.072 0.000 1.205 64 L CA -0.212 54.724 54.840 0.160 0.000 0.817 64 L CB 0.637 42.744 42.059 0.080 0.000 1.162 64 L HN 0.789 nan 8.230 nan 0.000 0.486 65 T N -2.182 112.400 114.554 0.046 0.000 2.874 65 T HA 0.374 4.724 4.350 -0.000 0.000 0.281 65 T C 1.033 175.731 174.700 -0.003 0.000 0.994 65 T CA -0.163 61.927 62.100 -0.016 0.000 1.015 65 T CB 1.522 70.359 68.868 -0.050 0.000 1.028 65 T HN 0.638 nan 8.240 nan 0.000 0.523 66 A N 1.677 124.497 122.820 0.001 0.000 1.869 66 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 66 A C 2.550 180.101 177.584 -0.055 0.000 1.203 66 A CA 1.879 53.909 52.037 -0.011 0.000 0.638 66 A CB -0.926 18.081 19.000 0.012 0.000 0.831 66 A HN 0.943 nan 8.150 nan 0.000 0.450 67 R N -0.401 120.073 120.500 -0.044 0.000 2.096 67 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 67 R C 2.108 178.357 176.300 -0.086 0.000 1.127 67 R CA 1.543 57.600 56.100 -0.071 0.000 0.968 67 R CB -0.372 29.918 30.300 -0.017 0.000 0.861 67 R HN 0.717 nan 8.270 nan 0.000 0.440 68 E N 0.322 120.500 120.200 -0.038 0.000 2.150 68 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 68 E C 2.072 178.633 176.600 -0.065 0.000 0.985 68 E CA 0.878 57.262 56.400 -0.027 0.000 0.814 68 E CB -0.008 29.716 29.700 0.040 0.000 0.752 68 E HN 0.296 nan 8.360 nan 0.000 0.466 69 R N 0.412 120.867 120.500 -0.075 0.000 2.075 69 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 69 R C 2.450 178.654 176.300 -0.161 0.000 1.126 69 R CA 1.046 57.087 56.100 -0.099 0.000 0.963 69 R CB -0.312 29.937 30.300 -0.085 0.000 0.858 69 R HN 0.020 nan 8.270 nan 0.000 0.435 70 V N 1.363 121.142 119.914 -0.225 0.000 2.343 70 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 70 V C 1.392 177.287 176.094 -0.332 0.000 1.051 70 V CA 1.998 64.073 62.300 -0.373 0.000 1.036 70 V CB -0.465 30.979 31.823 -0.631 0.000 0.654 70 V HN 0.243 nan 8.190 nan 0.000 0.451 71 D N -0.038 120.219 120.400 -0.238 0.000 2.182 71 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 71 D C 1.898 178.119 176.300 -0.131 0.000 0.986 71 D CA 1.183 55.086 54.000 -0.162 0.000 0.847 71 D CB -0.108 40.633 40.800 -0.097 0.000 0.942 71 D HN 0.384 nan 8.370 nan 0.000 0.467 72 L N -0.493 120.653 121.223 -0.127 0.000 2.477 72 L HA 0.094 4.434 4.340 -0.000 0.000 0.220 72 L C 1.935 178.731 176.870 -0.123 0.000 1.106 72 L CA -0.003 54.771 54.840 -0.110 0.000 0.851 72 L CB 0.015 42.016 42.059 -0.098 0.000 0.994 72 L HN 0.063 nan 8.230 nan 0.000 0.462 73 L N 0.132 121.267 121.223 -0.148 0.000 2.044 73 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 73 L C 0.836 177.626 176.870 -0.133 0.000 1.075 73 L CA 1.443 56.196 54.840 -0.145 0.000 0.747 73 L CB 0.048 42.008 42.059 -0.165 0.000 0.903 73 L HN -0.015 nan 8.230 nan 0.000 0.435 74 L N 0.733 121.865 121.223 -0.152 0.000 2.334 74 L HA 0.231 4.571 4.340 -0.000 0.000 0.277 74 L C -0.268 176.542 176.870 -0.100 0.000 1.075 74 L CA -1.055 53.711 54.840 -0.125 0.000 0.804 74 L CB 0.393 42.367 42.059 -0.141 0.000 1.174 74 L HN 0.013 nan 8.230 nan 0.000 0.438 75 D N 2.636 122.986 120.400 -0.083 0.000 2.772 75 D HA -0.128 4.512 4.640 -0.000 0.000 0.227 75 D C 0.487 176.745 176.300 -0.070 0.000 1.114 75 D CA 0.674 54.632 54.000 -0.069 0.000 0.832 75 D CB 0.346 41.110 40.800 -0.060 0.000 1.154 75 D HN 0.469 nan 8.370 nan 0.000 0.514 76 E N 1.313 121.477 120.200 -0.060 0.000 3.250 76 E HA 0.004 4.354 4.350 -0.000 0.000 0.244 76 E C 0.500 177.067 176.600 -0.054 0.000 0.931 76 E CA 0.467 56.835 56.400 -0.054 0.000 0.954 76 E CB -0.152 29.522 29.700 -0.044 0.000 0.894 76 E HN 0.678 nan 8.360 nan 0.000 0.560 77 G N 3.623 112.392 108.800 -0.052 0.000 2.402 77 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.241 77 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.241 77 G C 0.287 175.132 174.900 -0.092 0.000 0.871 77 G CA 0.502 45.567 45.100 -0.058 0.000 1.232 77 G HN 0.962 nan 8.290 nan 0.000 0.369 78 S N 0.212 115.837 115.700 -0.125 0.000 2.671 78 S HA 0.263 4.733 4.470 -0.000 0.000 0.231 78 S C -0.021 174.370 174.600 -0.347 0.000 0.882 78 S CA 0.244 58.309 58.200 -0.226 0.000 1.476 78 S CB -0.175 62.922 63.200 -0.172 0.000 1.257 78 S HN 1.658 nan 8.310 nan 0.000 0.633 79 F N 3.632 123.339 119.950 -0.405 0.000 2.404 79 F HA 0.736 5.263 4.527 -0.000 0.000 0.345 79 F C -0.044 175.440 175.800 -0.527 0.000 1.110 79 F CA -0.902 56.814 58.000 -0.474 0.000 1.130 79 F CB 1.327 40.147 39.000 -0.299 0.000 1.129 79 F HN 0.356 nan 8.300 nan 0.000 0.500 80 E N 5.077 124.427 120.200 -1.415 0.000 2.218 80 E HA 0.225 4.574 4.350 -0.000 0.000 0.263 80 E C -1.373 174.292 176.600 -1.558 0.000 0.879 80 E CA -0.623 55.061 56.400 -1.194 0.000 0.762 80 E CB 1.154 30.326 29.700 -0.879 0.000 1.166 80 E HN 0.782 nan 8.360 nan 0.000 0.415 81 E N 3.871 123.338 120.200 -1.222 0.000 2.277 81 E HA 0.311 4.661 4.350 -0.000 0.000 0.274 81 E C -1.121 175.353 176.600 -0.210 0.000 1.022 81 E CA -0.599 55.310 56.400 -0.819 0.000 0.853 81 E CB 0.665 30.091 29.700 -0.457 0.000 1.086 81 E HN 0.310 nan 8.360 nan 0.000 0.397 82 F N 1.118 121.013 119.950 -0.091 0.000 2.579 82 F HA 0.224 4.751 4.527 -0.000 0.000 0.324 82 F C 0.084 175.849 175.800 -0.059 0.000 1.058 82 F CA -1.380 56.596 58.000 -0.040 0.000 0.944 82 F CB 1.347 40.385 39.000 0.062 0.000 1.245 82 F HN 0.535 nan 8.300 nan 0.000 0.477 83 D N 0.952 121.423 120.400 0.118 0.000 2.737 83 D HA -0.274 4.366 4.640 -0.000 0.000 0.233 83 D C 1.438 177.699 176.300 -0.066 0.000 1.155 83 D CA 0.821 54.831 54.000 0.017 0.000 0.667 83 D CB -1.070 39.771 40.800 0.068 0.000 1.060 83 D HN 0.735 nan 8.370 nan 0.000 0.427 84 M N -1.047 118.407 119.600 -0.242 0.000 2.279 84 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 84 M C 0.704 176.823 176.300 -0.302 0.000 1.062 84 M CA 1.608 56.686 55.300 -0.370 0.000 1.099 84 M CB 0.052 32.240 32.600 -0.686 0.000 1.394 84 M HN 0.045 nan 8.290 nan 0.000 0.426 85 F N -0.147 119.821 119.950 0.030 0.000 2.684 85 F HA 0.314 4.841 4.527 -0.000 0.000 0.298 85 F C 0.183 175.984 175.800 0.001 0.000 1.120 85 F CA -1.026 56.980 58.000 0.011 0.000 1.332 85 F CB -1.027 37.976 39.000 0.005 0.000 0.986 85 F HN -0.279 nan 8.300 nan 0.000 0.524 86 V N 1.552 121.531 119.914 0.110 0.000 2.655 86 V HA 0.224 4.344 4.120 -0.000 0.000 0.300 86 V C 0.642 176.765 176.094 0.049 0.000 1.044 86 V CA 0.131 62.471 62.300 0.068 0.000 1.095 86 V CB 0.866 32.713 31.823 0.041 0.000 0.952 86 V HN 0.495 nan 8.190 nan 0.000 0.485 87 T N 2.012 116.573 114.554 0.012 0.000 2.893 87 T HA 0.496 4.846 4.350 -0.000 0.000 0.291 87 T C -0.256 174.398 174.700 -0.077 0.000 1.028 87 T CA -0.786 61.275 62.100 -0.065 0.000 0.995 87 T CB 1.389 70.185 68.868 -0.120 0.000 1.051 87 T HN 0.884 nan 8.240 nan 0.000 0.470 88 H N 1.981 121.068 119.070 0.028 0.000 2.730 88 H HA 0.315 4.871 4.556 -0.000 0.000 0.376 88 H C -0.157 175.180 175.328 0.016 0.000 1.299 88 H CA -0.683 55.379 56.048 0.022 0.000 1.447 88 H CB 0.664 30.441 29.762 0.026 0.000 1.493 88 H HN 0.642 nan 8.280 nan 0.000 0.619 89 R N 0.948 121.612 120.500 0.272 0.000 2.633 89 R HA 0.181 4.521 4.340 -0.000 0.000 0.348 89 R C -0.267 176.161 176.300 0.214 0.000 1.100 89 R CA -0.331 55.877 56.100 0.180 0.000 1.068 89 R CB -0.266 30.084 30.300 0.082 0.000 1.351 89 R HN 0.423 nan 8.270 nan 0.000 0.575 90 C N 1.249 120.784 119.300 0.391 0.000 2.539 90 C HA 0.296 4.756 4.460 -0.000 0.000 0.392 90 C C 1.807 176.860 174.990 0.105 0.000 1.269 90 C CA 0.238 59.308 59.018 0.088 0.000 2.250 90 C CB 0.653 28.262 27.740 -0.218 0.000 2.584 90 C HN 0.682 nan 8.230 nan 0.000 0.589 91 T N -0.140 114.420 114.554 0.010 0.000 3.009 91 T HA 0.202 4.552 4.350 -0.000 0.000 0.267 91 T C -0.006 174.638 174.700 -0.093 0.000 0.942 91 T CA -0.177 61.916 62.100 -0.012 0.000 0.883 91 T CB -0.130 68.726 68.868 -0.019 0.000 1.192 91 T HN 0.644 nan 8.240 nan 0.000 0.524 92 D N 1.531 121.826 120.400 -0.176 0.000 2.398 92 D HA 0.345 4.985 4.640 -0.000 0.000 0.247 92 D C 0.330 176.443 176.300 -0.312 0.000 1.227 92 D CA -0.748 52.985 54.000 -0.446 0.000 0.980 92 D CB 0.066 40.420 40.800 -0.743 0.000 1.106 92 D HN 0.150 nan 8.370 nan 0.000 0.493 93 F N 0.380 120.329 119.950 -0.001 0.000 2.926 93 F HA -0.304 4.223 4.527 -0.000 0.000 0.236 93 F C 0.909 176.711 175.800 0.004 0.000 1.013 93 F CA 0.287 58.287 58.000 -0.001 0.000 0.826 93 F CB -2.262 36.734 39.000 -0.007 0.000 0.695 93 F HN 0.325 nan 8.300 nan 0.000 0.810 94 N N -3.049 115.699 118.700 0.080 0.000 2.681 94 N HA -0.246 4.494 4.740 -0.000 0.000 0.250 94 N C 0.603 176.167 175.510 0.090 0.000 1.133 94 N CA 1.315 54.408 53.050 0.073 0.000 0.732 94 N CB -0.612 37.922 38.487 0.080 0.000 1.107 94 N HN 0.398 nan 8.380 nan 0.000 0.559 99 D N 1.246 121.704 120.400 0.096 0.000 2.350 99 D HA 0.062 4.702 4.640 -0.000 0.000 0.213 99 D C -0.073 176.265 176.300 0.063 0.000 1.031 99 D CA 0.325 54.360 54.000 0.060 0.000 0.861 99 D CB 0.762 41.592 40.800 0.050 0.000 0.926 99 D HN 0.328 nan 8.370 nan 0.000 0.520 100 Q N 1.108 120.973 119.800 0.108 0.000 2.798 100 Q HA 0.169 4.509 4.340 -0.000 0.000 0.250 100 Q C -0.788 175.300 176.000 0.147 0.000 1.006 100 Q CA -0.241 55.626 55.803 0.106 0.000 0.759 100 Q CB 0.417 29.218 28.738 0.106 0.000 1.201 100 Q HN -0.169 nan 8.270 nan 0.000 0.486 101 K N 3.763 124.173 120.400 0.016 0.000 2.598 101 K HA 0.290 4.610 4.320 -0.000 0.000 0.226 101 K C -2.246 174.317 176.600 -0.060 0.000 1.156 101 K CA -1.419 54.790 56.287 -0.130 0.000 1.122 101 K CB 0.746 33.103 32.500 -0.239 0.000 1.739 101 K HN 0.442 nan 8.250 nan 0.000 0.472 102 P HA -0.029 nan 4.420 nan 0.000 0.269 102 P C -0.461 176.856 177.300 0.028 0.000 1.217 102 P CA -0.202 62.913 63.100 0.023 0.000 0.783 102 P CB 0.747 32.471 31.700 0.040 0.000 0.898 103 A N 0.979 123.832 122.820 0.056 0.000 2.366 103 A HA 0.520 4.840 4.320 -0.000 0.000 0.272 103 A C 1.355 178.990 177.584 0.084 0.000 1.135 103 A CA 0.453 52.554 52.037 0.107 0.000 0.804 103 A CB -0.591 18.523 19.000 0.190 0.000 1.064 103 A HN 0.900 nan 8.150 nan 0.000 0.499 104 G N 1.571 110.414 108.800 0.071 0.000 2.284 104 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.230 104 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.230 104 G C 0.417 175.316 174.900 -0.003 0.000 1.021 104 G CA 0.823 45.939 45.100 0.026 0.000 0.619 104 G HN 1.856 nan 8.290 nan 0.000 0.510 105 D N -1.090 119.322 120.400 0.020 0.000 2.772 105 D HA 0.163 4.803 4.640 -0.000 0.000 0.233 105 D C 1.891 178.174 176.300 -0.028 0.000 1.143 105 D CA 3.239 57.260 54.000 0.035 0.000 0.700 105 D CB -1.281 39.557 40.800 0.063 0.000 1.076 105 D HN 2.227 nan 8.370 nan 0.000 0.430 106 G N -2.728 106.035 108.800 -0.061 0.000 2.194 106 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.236 106 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.236 106 G C 0.231 174.957 174.900 -0.290 0.000 0.987 106 G CA 0.293 45.324 45.100 -0.115 0.000 0.635 106 G HN 1.241 nan 8.290 nan 0.000 0.520 107 V N 0.162 119.863 119.914 -0.354 0.000 2.932 107 V HA 0.694 4.814 4.120 -0.000 0.000 0.307 107 V C -0.676 175.385 176.094 -0.054 0.000 1.147 107 V CA -0.620 61.517 62.300 -0.271 0.000 0.951 107 V CB 2.367 33.841 31.823 -0.583 0.000 1.031 107 V HN 0.530 nan 8.190 nan 0.000 0.426 108 V N 5.712 125.657 119.914 0.053 0.000 2.328 108 V HA 0.601 4.721 4.120 -0.000 0.000 0.278 108 V C 0.384 176.594 176.094 0.193 0.000 1.021 108 V CA 0.064 62.427 62.300 0.105 0.000 0.838 108 V CB 1.527 33.391 31.823 0.068 0.000 0.999 108 V HN 1.069 nan 8.190 nan 0.000 0.447 109 T N 1.703 116.398 114.554 0.234 0.000 2.940 109 T HA 0.997 5.347 4.350 -0.000 0.000 0.288 109 T C 0.115 174.995 174.700 0.301 0.000 1.045 109 T CA -0.110 62.172 62.100 0.302 0.000 1.018 109 T CB 2.318 71.362 68.868 0.292 0.000 1.151 109 T HN 1.278 nan 8.240 nan 0.000 0.529 110 G N -0.362 108.601 108.800 0.271 0.000 2.356 110 G HA2 0.385 4.345 3.960 -0.000 0.000 0.266 110 G HA3 0.385 4.345 3.960 -0.000 0.000 0.266 110 G C -1.905 173.089 174.900 0.157 0.000 1.312 110 G CA -0.325 44.734 45.100 -0.069 0.000 0.922 110 G HN 1.233 nan 8.290 nan 0.000 0.480 111 W N -0.109 121.008 121.300 -0.305 0.000 3.165 111 W HA 0.873 5.533 4.660 -0.000 0.000 0.351 111 W C 0.130 176.578 176.519 -0.118 0.000 1.164 111 W CA -0.714 56.453 57.345 -0.297 0.000 1.074 111 W CB 0.934 29.993 29.460 -0.668 0.000 1.499 111 W HN 2.027 nan 8.180 nan 0.000 0.600 112 G N 0.266 108.959 108.800 -0.179 0.000 2.348 112 G HA2 0.504 4.464 3.960 -0.000 0.000 0.296 112 G HA3 0.504 4.464 3.960 -0.000 0.000 0.296 112 G C -1.478 173.379 174.900 -0.072 0.000 1.258 112 G CA -0.043 44.837 45.100 -0.367 0.000 0.868 112 G HN 0.890 nan 8.290 nan 0.000 0.488 113 T N -1.803 112.700 114.554 -0.084 0.000 2.906 113 T HA 0.758 5.108 4.350 -0.000 0.000 0.295 113 T C -0.749 173.931 174.700 -0.034 0.000 1.075 113 T CA -0.651 61.443 62.100 -0.011 0.000 1.005 113 T CB 2.097 70.972 68.868 0.012 0.000 1.136 113 T HN 0.618 nan 8.240 nan 0.000 0.498 114 I N 2.481 123.040 120.570 -0.020 0.000 2.437 114 I HA 0.364 4.534 4.170 -0.000 0.000 0.279 114 I C 0.108 176.208 176.117 -0.029 0.000 1.028 114 I CA -0.712 60.566 61.300 -0.035 0.000 1.142 114 I CB 0.891 38.866 38.000 -0.041 0.000 1.266 114 I HN 0.789 nan 8.210 nan 0.000 0.461 115 N N 4.893 123.574 118.700 -0.032 0.000 2.776 115 N HA -0.184 4.556 4.740 -0.000 0.000 0.249 115 N C 0.918 176.419 175.510 -0.014 0.000 1.111 115 N CA 1.171 54.205 53.050 -0.027 0.000 0.711 115 N CB -0.628 37.839 38.487 -0.034 0.000 1.065 115 N HN 1.155 nan 8.380 nan 0.000 0.556 116 G N -0.692 108.104 108.800 -0.007 0.000 2.195 116 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 116 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 116 G C 0.092 175.009 174.900 0.028 0.000 0.984 116 G CA 0.535 45.641 45.100 0.010 0.000 0.633 116 G HN 0.497 nan 8.290 nan 0.000 0.525 117 R N 0.218 120.731 120.500 0.021 0.000 2.312 117 R HA 0.554 4.894 4.340 -0.000 0.000 0.311 117 R C 0.453 176.786 176.300 0.055 0.000 1.004 117 R CA -0.702 55.419 56.100 0.035 0.000 0.902 117 R CB 2.035 32.346 30.300 0.019 0.000 1.073 117 R HN 0.076 nan 8.270 nan 0.000 0.457 118 V N 3.819 123.783 119.914 0.082 0.000 2.673 118 V HA 0.045 4.165 4.120 -0.000 0.000 0.303 118 V C 0.241 176.368 176.094 0.055 0.000 1.046 118 V CA 0.396 62.755 62.300 0.099 0.000 1.126 118 V CB 1.054 32.912 31.823 0.059 0.000 0.934 118 V HN 0.448 nan 8.190 nan 0.000 0.487 119 V N 5.137 125.059 119.914 0.013 0.000 2.888 119 V HA 0.500 4.620 4.120 -0.000 0.000 0.309 119 V C -1.285 174.772 176.094 -0.062 0.000 1.114 119 V CA -0.765 61.554 62.300 0.032 0.000 0.940 119 V CB 2.438 34.282 31.823 0.035 0.000 1.021 119 V HN 0.729 nan 8.190 nan 0.000 0.426 120 Y N 2.824 123.230 120.300 0.177 0.000 2.387 120 Y HA 0.776 5.326 4.550 -0.000 0.000 0.336 120 Y C 0.088 176.085 175.900 0.162 0.000 1.067 120 Y CA -0.417 57.809 58.100 0.211 0.000 1.114 120 Y CB 2.056 40.637 38.460 0.202 0.000 1.208 120 Y HN 0.418 nan 8.280 nan 0.000 0.458 121 V N 4.769 124.855 119.914 0.287 0.000 3.147 121 V HA 0.725 4.845 4.120 -0.000 0.000 0.306 121 V C -1.921 174.308 176.094 0.224 0.000 1.209 121 V CA -1.064 61.323 62.300 0.145 0.000 1.023 121 V CB 2.256 34.065 31.823 -0.023 0.000 1.059 121 V HN 0.602 nan 8.190 nan 0.000 0.435 122 F N 2.671 122.677 119.950 0.093 0.000 2.588 122 F HA 0.845 5.372 4.527 -0.000 0.000 0.314 122 F C -0.850 174.975 175.800 0.041 0.000 1.134 122 F CA -0.533 57.516 58.000 0.083 0.000 0.961 122 F CB 1.721 40.794 39.000 0.121 0.000 1.239 122 F HN 0.468 nan 8.300 nan 0.000 0.448 123 S N 3.245 119.002 115.700 0.095 0.000 2.552 123 S HA 0.394 4.864 4.470 -0.000 0.000 0.314 123 S C -1.034 173.662 174.600 0.160 0.000 1.099 123 S CA -0.504 57.703 58.200 0.011 0.000 1.070 123 S CB 1.216 64.370 63.200 -0.077 0.000 0.998 123 S HN 0.818 nan 8.310 nan 0.000 0.474 124 Q N 2.606 122.539 119.800 0.222 0.000 2.304 124 Q HA 0.165 4.505 4.340 -0.000 0.000 0.260 124 Q C -0.864 175.222 176.000 0.143 0.000 0.965 124 Q CA -0.199 55.739 55.803 0.224 0.000 0.898 124 Q CB 0.766 29.699 28.738 0.326 0.000 1.196 124 Q HN 0.560 nan 8.270 nan 0.000 0.402 125 D N 2.838 123.297 120.400 0.098 0.000 2.500 125 D HA 0.009 4.649 4.640 -0.000 0.000 0.219 125 D C 0.216 176.599 176.300 0.138 0.000 1.137 125 D CA -0.357 53.697 54.000 0.090 0.000 0.946 125 D CB 0.061 40.880 40.800 0.030 0.000 1.022 125 D HN 0.463 nan 8.370 nan 0.000 0.518 126 F N 2.507 122.468 119.950 0.017 0.000 2.236 126 F HA -0.228 4.299 4.527 -0.000 0.000 0.302 126 F C 2.297 178.106 175.800 0.015 0.000 1.073 126 F CA 1.942 59.954 58.000 0.020 0.000 1.336 126 F CB -0.432 38.571 39.000 0.005 0.000 1.040 126 F HN 0.376 nan 8.300 nan 0.000 0.507 127 T N -2.486 112.018 114.554 -0.084 0.000 3.113 127 T HA 0.075 4.425 4.350 -0.000 0.000 0.263 127 T C 0.555 175.176 174.700 -0.133 0.000 1.143 127 T CA 0.514 62.517 62.100 -0.162 0.000 1.090 127 T CB -0.863 67.962 68.868 -0.071 0.000 0.922 127 T HN -0.081 nan 8.240 nan 0.000 0.521 128 V N 2.709 122.569 119.914 -0.089 0.000 2.313 128 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 128 V C 0.488 176.557 176.094 -0.040 0.000 1.017 128 V CA -1.037 61.236 62.300 -0.046 0.000 0.823 128 V CB 0.524 32.342 31.823 -0.009 0.000 1.010 128 V HN 0.525 nan 8.190 nan 0.000 0.443 129 L N 4.759 125.952 121.223 -0.051 0.000 3.739 129 L HA -0.272 4.068 4.340 -0.000 0.000 0.442 129 L C 1.590 178.432 176.870 -0.046 0.000 1.241 129 L CA 0.644 55.467 54.840 -0.029 0.000 0.819 129 L CB -1.470 40.607 42.059 0.030 0.000 1.679 129 L HN 1.075 nan 8.230 nan 0.000 0.889 130 G N -0.745 107.947 108.800 -0.180 0.000 2.225 130 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.272 130 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.272 130 G C 1.121 176.063 174.900 0.069 0.000 0.996 130 G CA 0.796 45.739 45.100 -0.261 0.000 0.710 130 G HN 1.955 nan 8.290 nan 0.000 0.522 131 G N -1.148 107.707 108.800 0.092 0.000 2.249 131 G HA2 0.062 4.022 3.960 -0.000 0.000 0.273 131 G HA3 0.062 4.022 3.960 -0.000 0.000 0.273 131 G C 0.630 175.700 174.900 0.283 0.000 1.036 131 G CA 1.277 46.513 45.100 0.227 0.000 0.824 131 G HN 2.394 nan 8.290 nan 0.000 0.504 132 S N -1.284 114.530 115.700 0.191 0.000 2.549 132 S HA 0.551 5.021 4.470 -0.000 0.000 0.279 132 S C 0.474 175.131 174.600 0.095 0.000 1.321 132 S CA -0.412 57.867 58.200 0.133 0.000 1.054 132 S CB 2.287 65.536 63.200 0.083 0.000 0.899 132 S HN 0.959 nan 8.310 nan 0.000 0.497 133 V N 4.313 124.161 119.914 -0.111 0.000 2.470 133 V HA 0.397 4.517 4.120 -0.000 0.000 0.276 133 V C 0.821 176.735 176.094 -0.300 0.000 1.040 133 V CA 0.077 62.102 62.300 -0.459 0.000 1.008 133 V CB 0.098 31.404 31.823 -0.862 0.000 0.990 133 V HN 1.138 nan 8.190 nan 0.000 0.477 134 S N 3.015 118.597 115.700 -0.197 0.000 2.806 134 S HA 0.438 4.908 4.470 -0.000 0.000 0.315 134 S C 0.962 175.488 174.600 -0.123 0.000 1.127 134 S CA -0.297 57.839 58.200 -0.105 0.000 0.918 134 S CB 1.646 64.850 63.200 0.007 0.000 1.240 134 S HN 0.713 nan 8.310 nan 0.000 0.552 135 E N 0.533 120.695 120.200 -0.063 0.000 2.051 135 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 135 E C 1.770 178.351 176.600 -0.032 0.000 0.991 135 E CA 2.103 58.469 56.400 -0.057 0.000 0.799 135 E CB -0.668 29.021 29.700 -0.018 0.000 0.748 135 E HN 0.859 nan 8.360 nan 0.000 0.449 136 T N -2.094 112.473 114.554 0.022 0.000 2.904 136 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 136 T C 1.888 176.629 174.700 0.070 0.000 1.059 136 T CA 1.475 63.601 62.100 0.044 0.000 1.137 136 T CB -0.693 68.218 68.868 0.071 0.000 0.879 136 T HN 0.428 nan 8.240 nan 0.000 0.467 137 H N 1.562 120.599 119.070 -0.055 0.000 2.321 137 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 137 H C 2.569 177.811 175.328 -0.144 0.000 1.087 137 H CA 1.551 57.552 56.048 -0.079 0.000 1.319 137 H CB -0.091 29.616 29.762 -0.092 0.000 1.379 137 H HN 0.515 nan 8.280 nan 0.000 0.501 138 S N 0.332 115.998 115.700 -0.058 0.000 2.355 138 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 138 S C 2.054 176.602 174.600 -0.088 0.000 1.031 138 S CA 1.112 59.205 58.200 -0.178 0.000 0.993 138 S CB -0.239 62.789 63.200 -0.286 0.000 0.859 138 S HN 0.416 nan 8.310 nan 0.000 0.453 139 K N 1.177 121.548 120.400 -0.048 0.000 2.089 139 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 139 K C 2.377 178.978 176.600 0.002 0.000 1.048 139 K CA 1.729 58.002 56.287 -0.023 0.000 0.926 139 K CB -0.271 32.224 32.500 -0.008 0.000 0.714 139 K HN 0.490 nan 8.250 nan 0.000 0.448 140 K N 0.517 120.931 120.400 0.024 0.000 2.057 140 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 140 K C 2.150 178.787 176.600 0.062 0.000 1.049 140 K CA 1.220 57.542 56.287 0.058 0.000 0.931 140 K CB -0.117 32.417 32.500 0.057 0.000 0.714 140 K HN 0.155 nan 8.250 nan 0.000 0.440 141 I N 0.618 121.177 120.570 -0.018 0.000 2.315 141 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 141 I C 2.304 178.406 176.117 -0.025 0.000 1.117 141 I CA 0.782 62.020 61.300 -0.105 0.000 1.404 141 I CB -0.436 37.309 38.000 -0.425 0.000 1.071 141 I HN 0.250 nan 8.210 nan 0.000 0.419 142 C N 0.794 120.075 119.300 -0.032 0.000 2.440 142 C HA -0.138 4.322 4.460 -0.000 0.000 0.278 142 C C 2.857 177.857 174.990 0.018 0.000 1.295 142 C CA 0.668 59.679 59.018 -0.012 0.000 1.738 142 C CB -0.909 26.815 27.740 -0.027 0.000 1.987 142 C HN 0.479 nan 8.230 nan 0.000 0.492 143 K N 1.678 122.102 120.400 0.040 0.000 2.074 143 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 143 K C 1.682 178.336 176.600 0.090 0.000 1.048 143 K CA 2.140 58.461 56.287 0.058 0.000 0.926 143 K CB -0.277 32.274 32.500 0.086 0.000 0.713 143 K HN 0.682 nan 8.250 nan 0.000 0.444 144 I N -2.314 118.354 120.570 0.163 0.000 3.059 144 I HA -0.036 4.134 4.170 -0.000 0.000 0.270 144 I C 2.063 178.194 176.117 0.023 0.000 1.238 144 I CA 0.553 61.965 61.300 0.188 0.000 1.478 144 I CB -0.052 38.188 38.000 0.400 0.000 1.097 144 I HN 0.058 nan 8.210 nan 0.000 0.455 145 M N 0.955 120.586 119.600 0.052 0.000 2.193 145 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 145 M C 1.533 177.803 176.300 -0.050 0.000 1.071 145 M CA 1.526 56.846 55.300 0.032 0.000 1.140 145 M CB -0.469 32.168 32.600 0.061 0.000 1.369 145 M HN 0.183 nan 8.290 nan 0.000 0.423 146 D N 0.276 120.649 120.400 -0.046 0.000 2.218 146 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 146 D C 1.772 177.989 176.300 -0.139 0.000 0.976 146 D CA 1.194 55.155 54.000 -0.065 0.000 0.853 146 D CB -0.112 40.664 40.800 -0.040 0.000 0.939 146 D HN 0.282 nan 8.370 nan 0.000 0.481 147 M N -0.096 119.365 119.600 -0.232 0.000 2.236 147 M HA 0.021 4.501 4.480 -0.000 0.000 0.266 147 M C 1.935 177.799 176.300 -0.726 0.000 1.070 147 M CA 0.886 55.944 55.300 -0.404 0.000 1.137 147 M CB 0.201 32.581 32.600 -0.367 0.000 1.378 147 M HN -0.009 nan 8.290 nan 0.000 0.426 148 A N 0.302 122.617 122.820 -0.841 0.000 1.902 148 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 148 A C 2.105 179.586 177.584 -0.171 0.000 1.181 148 A CA 1.676 53.363 52.037 -0.583 0.000 0.623 148 A CB -0.620 18.288 19.000 -0.153 0.000 0.818 148 A HN 0.542 nan 8.150 nan 0.000 0.443 149 M N -1.356 118.172 119.600 -0.120 0.000 2.200 149 M HA -0.157 4.323 4.480 -0.000 0.000 0.265 149 M C 2.305 178.582 176.300 -0.038 0.000 1.066 149 M CA 1.377 56.656 55.300 -0.035 0.000 1.127 149 M CB -0.481 32.110 32.600 -0.014 0.000 1.379 149 M HN 0.494 nan 8.290 nan 0.000 0.420 150 Q N 0.180 119.935 119.800 -0.075 0.000 2.364 150 Q HA -0.112 4.228 4.340 -0.000 0.000 0.207 150 Q C 0.645 176.626 176.000 -0.032 0.000 0.970 150 Q CA 1.052 56.825 55.803 -0.051 0.000 0.888 150 Q CB 0.039 28.739 28.738 -0.063 0.000 0.951 150 Q HN 0.538 nan 8.270 nan 0.000 0.469 151 N N -1.544 117.138 118.700 -0.031 0.000 2.171 151 N HA 0.167 4.907 4.740 -0.000 0.000 0.212 151 N C -0.350 175.200 175.510 0.067 0.000 1.184 151 N CA 0.460 53.525 53.050 0.025 0.000 0.888 151 N CB 1.735 40.262 38.487 0.066 0.000 1.038 151 N HN 0.160 nan 8.380 nan 0.000 0.517 152 G N 0.576 109.414 108.800 0.064 0.000 2.353 152 G HA2 0.010 3.970 3.960 -0.000 0.000 0.294 152 G HA3 0.010 3.970 3.960 -0.000 0.000 0.294 152 G C -0.358 174.626 174.900 0.139 0.000 1.077 152 G CA 0.281 45.438 45.100 0.094 0.000 1.098 152 G HN 0.540 nan 8.290 nan 0.000 0.511 153 A N 0.738 123.673 122.820 0.191 0.000 2.422 153 A HA 0.951 5.271 4.320 -0.000 0.000 0.302 153 A C -2.271 175.474 177.584 0.268 0.000 1.041 153 A CA -1.510 50.679 52.037 0.253 0.000 0.708 153 A CB 2.050 21.285 19.000 0.391 0.000 1.257 153 A HN 0.168 nan 8.150 nan 0.000 0.414 154 P HA 0.225 nan 4.420 nan 0.000 0.270 154 P C -0.688 176.758 177.300 0.244 0.000 1.221 154 P CA -0.003 63.208 63.100 0.186 0.000 0.788 154 P CB 0.475 32.248 31.700 0.121 0.000 0.904 155 V N 2.665 122.709 119.914 0.217 0.000 2.443 155 V HA 0.282 4.402 4.120 -0.000 0.000 0.293 155 V C -0.089 176.103 176.094 0.163 0.000 1.021 155 V CA -0.384 62.059 62.300 0.238 0.000 0.848 155 V CB 1.286 33.262 31.823 0.255 0.000 0.998 155 V HN 0.285 nan 8.190 nan 0.000 0.424 156 I N 4.192 124.818 120.570 0.093 0.000 2.321 156 I HA 0.618 4.788 4.170 -0.000 0.000 0.291 156 I C 0.894 176.869 176.117 -0.237 0.000 0.998 156 I CA 0.158 61.450 61.300 -0.014 0.000 1.227 156 I CB 1.584 39.563 38.000 -0.036 0.000 1.368 156 I HN 0.658 nan 8.210 nan 0.000 0.466 157 G N 7.061 115.684 108.800 -0.295 0.000 2.370 157 G HA2 0.649 4.609 3.960 -0.000 0.000 0.317 157 G HA3 0.649 4.609 3.960 -0.000 0.000 0.317 157 G C -0.386 174.162 174.900 -0.587 0.000 1.162 157 G CA -0.364 44.202 45.100 -0.889 0.000 0.922 157 G HN 0.529 nan 8.290 nan 0.000 0.454 158 I N 2.613 122.731 120.570 -0.753 0.000 2.361 158 I HA 0.117 4.287 4.170 -0.000 0.000 0.282 158 I C -0.490 175.584 176.117 -0.072 0.000 1.075 158 I CA -0.722 60.415 61.300 -0.273 0.000 1.205 158 I CB 0.567 38.438 38.000 -0.215 0.000 1.406 158 I HN 0.332 nan 8.210 nan 0.000 0.481 159 N N 4.395 123.109 118.700 0.023 0.000 2.458 159 N HA 0.298 5.038 4.740 -0.000 0.000 0.270 159 N C -0.538 174.978 175.510 0.010 0.000 1.102 159 N CA -0.156 52.962 53.050 0.114 0.000 0.967 159 N CB 0.743 39.294 38.487 0.106 0.000 1.078 159 N HN 0.421 nan 8.380 nan 0.000 0.471 160 D N 0.573 120.993 120.400 0.034 0.000 2.826 160 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 160 D C -1.644 174.680 176.300 0.041 0.000 1.329 160 D CA -0.270 53.683 54.000 -0.078 0.000 0.854 160 D CB 0.207 40.971 40.800 -0.060 0.000 1.494 160 D HN 0.297 nan 8.370 nan 0.000 0.540 161 S N 0.455 116.169 115.700 0.023 0.000 2.549 161 S HA 0.643 5.113 4.470 -0.000 0.000 0.280 161 S C 1.209 175.902 174.600 0.155 0.000 1.109 161 S CA -0.169 58.147 58.200 0.193 0.000 0.905 161 S CB 1.436 64.749 63.200 0.188 0.000 1.081 161 S HN 0.300 nan 8.310 nan 0.000 0.477 162 G N 1.502 110.503 108.800 0.335 0.000 2.598 162 G HA2 0.465 4.425 3.960 -0.000 0.000 0.215 162 G HA3 0.465 4.425 3.960 -0.000 0.000 0.215 162 G C 0.944 175.955 174.900 0.185 0.000 1.131 162 G CA 0.438 45.715 45.100 0.295 0.000 0.785 162 G HN 1.637 nan 8.290 nan 0.000 0.539 163 G N -1.331 107.568 108.800 0.165 0.000 2.362 163 G HA2 0.445 4.405 3.960 -0.000 0.000 0.517 163 G HA3 0.445 4.405 3.960 -0.000 0.000 0.517 163 G C 0.048 175.063 174.900 0.192 0.000 1.256 163 G CA -0.296 44.905 45.100 0.167 0.000 1.027 163 G HN 1.201 nan 8.290 nan 0.000 0.491 164 A N -0.285 122.682 122.820 0.245 0.000 2.448 164 A HA 0.590 4.910 4.320 -0.000 0.000 0.239 164 A C 0.996 178.646 177.584 0.109 0.000 1.080 164 A CA 1.060 53.236 52.037 0.232 0.000 0.779 164 A CB 0.189 19.389 19.000 0.332 0.000 1.026 164 A HN 1.187 nan 8.150 nan 0.000 0.499 165 R N 2.537 123.066 120.500 0.048 0.000 2.593 165 R HA 0.205 4.545 4.340 -0.000 0.000 0.282 165 R C 0.599 176.920 176.300 0.035 0.000 1.300 165 R CA -0.630 55.486 56.100 0.025 0.000 1.221 165 R CB -0.342 29.950 30.300 -0.013 0.000 1.157 165 R HN 0.720 nan 8.270 nan 0.000 0.555 166 I N 2.525 123.120 120.570 0.042 0.000 2.181 166 I HA -0.368 3.802 4.170 -0.000 0.000 0.247 166 I C 1.580 177.738 176.117 0.069 0.000 1.081 166 I CA 1.611 62.935 61.300 0.040 0.000 1.340 166 I CB -0.996 37.002 38.000 -0.003 0.000 1.036 166 I HN 0.608 nan 8.210 nan 0.000 0.417 167 Q N 0.592 120.443 119.800 0.084 0.000 2.291 167 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 167 Q C 1.972 178.091 176.000 0.197 0.000 0.976 167 Q CA 0.922 56.881 55.803 0.260 0.000 0.875 167 Q CB -0.250 28.644 28.738 0.260 0.000 0.927 167 Q HN 0.557 nan 8.270 nan 0.000 0.450 168 E N -0.280 119.967 120.200 0.078 0.000 2.435 168 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 168 E C 1.072 177.706 176.600 0.057 0.000 1.029 168 E CA 0.562 56.983 56.400 0.035 0.000 0.865 168 E CB 0.056 29.750 29.700 -0.010 0.000 0.833 168 E HN 0.367 nan 8.360 nan 0.000 0.510 169 G N 1.193 110.048 108.800 0.091 0.000 2.550 169 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.277 169 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.277 169 G C 1.142 176.082 174.900 0.068 0.000 1.190 169 G CA 1.026 46.179 45.100 0.088 0.000 0.971 169 G HN 0.307 nan 8.290 nan 0.000 0.559 170 V N -1.653 118.296 119.914 0.058 0.000 2.828 170 V HA -0.034 4.086 4.120 -0.000 0.000 0.260 170 V C 2.074 178.193 176.094 0.042 0.000 1.101 170 V CA 2.825 65.158 62.300 0.055 0.000 1.123 170 V CB -0.594 31.257 31.823 0.046 0.000 0.704 170 V HN 0.598 nan 8.190 nan 0.000 0.493 171 D N 0.407 120.823 120.400 0.026 0.000 2.264 171 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 171 D C 2.290 178.577 176.300 -0.022 0.000 0.966 171 D CA 1.660 55.662 54.000 0.003 0.000 0.864 171 D CB 0.231 41.029 40.800 -0.002 0.000 0.933 171 D HN 0.582 nan 8.370 nan 0.000 0.499 172 S N -0.141 115.557 115.700 -0.003 0.000 2.395 172 S HA 0.011 4.481 4.470 -0.000 0.000 0.225 172 S C 2.143 176.761 174.600 0.030 0.000 1.027 172 S CA 0.146 58.320 58.200 -0.043 0.000 0.965 172 S CB 0.028 63.243 63.200 0.026 0.000 0.812 172 S HN 0.158 nan 8.310 nan 0.000 0.482 173 L N 1.161 122.457 121.223 0.122 0.000 2.017 173 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 173 L C 2.940 179.884 176.870 0.124 0.000 1.073 173 L CA 1.380 56.337 54.840 0.195 0.000 0.745 173 L CB -0.757 41.387 42.059 0.141 0.000 0.894 173 L HN 0.386 nan 8.230 nan 0.000 0.432 174 A N 0.338 123.187 122.820 0.047 0.000 1.933 174 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 174 A C 2.402 179.954 177.584 -0.053 0.000 1.175 174 A CA 1.692 53.737 52.037 0.012 0.000 0.628 174 A CB -1.279 17.723 19.000 0.004 0.000 0.814 174 A HN 0.458 nan 8.150 nan 0.000 0.444 175 G N -1.283 107.444 108.800 -0.121 0.000 2.476 175 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 175 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 175 G C 1.451 176.143 174.900 -0.346 0.000 1.164 175 G CA 1.364 46.313 45.100 -0.251 0.000 0.768 175 G HN 0.517 nan 8.290 nan 0.000 0.560 176 Y N 1.340 121.455 120.300 -0.308 0.000 2.128 176 Y HA -0.052 4.498 4.550 -0.000 0.000 0.284 176 Y C 3.103 178.532 175.900 -0.785 0.000 1.154 176 Y CA 0.858 58.575 58.100 -0.639 0.000 1.149 176 Y CB -0.954 37.170 38.460 -0.559 0.000 0.976 176 Y HN 0.195 nan 8.280 nan 0.000 0.505 177 G N 0.054 108.758 108.800 -0.160 0.000 2.529 177 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 177 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 177 G C 1.574 176.468 174.900 -0.010 0.000 1.177 177 G CA 1.420 46.536 45.100 0.027 0.000 0.773 177 G HN 0.320 nan 8.290 nan 0.000 0.573 178 E N 0.263 120.426 120.200 -0.062 0.000 2.204 178 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 178 E C 2.816 179.385 176.600 -0.053 0.000 0.990 178 E CA 0.636 57.012 56.400 -0.040 0.000 0.821 178 E CB -0.398 29.271 29.700 -0.052 0.000 0.750 178 E HN 0.379 nan 8.360 nan 0.000 0.477 179 V N 1.026 120.852 119.914 -0.147 0.000 2.283 179 V HA -0.219 3.901 4.120 -0.000 0.000 0.243 179 V C 2.091 178.211 176.094 0.042 0.000 1.039 179 V CA 1.444 63.676 62.300 -0.114 0.000 1.016 179 V CB -0.616 31.070 31.823 -0.229 0.000 0.650 179 V HN 0.058 nan 8.190 nan 0.000 0.449 180 F N 0.617 120.609 119.950 0.070 0.000 2.043 180 F HA -0.295 4.232 4.527 -0.000 0.000 0.297 180 F C 2.633 178.456 175.800 0.038 0.000 1.118 180 F CA 2.037 60.074 58.000 0.062 0.000 1.202 180 F CB -1.485 37.551 39.000 0.061 0.000 0.965 180 F HN 0.171 nan 8.300 nan 0.000 0.482 181 Q N 0.666 120.608 119.800 0.237 0.000 2.062 181 Q HA -0.227 4.113 4.340 -0.000 0.000 0.209 181 Q C 2.293 178.350 176.000 0.095 0.000 0.996 181 Q CA 2.084 57.964 55.803 0.127 0.000 0.859 181 Q CB -0.330 28.460 28.738 0.087 0.000 0.920 181 Q HN 0.345 nan 8.270 nan 0.000 0.415 182 R N -0.333 120.218 120.500 0.084 0.000 2.080 182 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 182 R C 2.275 178.631 176.300 0.093 0.000 1.137 182 R CA 1.657 57.799 56.100 0.069 0.000 0.943 182 R CB -0.638 29.692 30.300 0.050 0.000 0.846 182 R HN 0.492 nan 8.270 nan 0.000 0.431 183 N N 0.431 119.208 118.700 0.129 0.000 2.091 183 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 183 N C 1.864 177.439 175.510 0.108 0.000 1.021 183 N CA 1.450 54.587 53.050 0.144 0.000 0.862 183 N CB -0.169 38.438 38.487 0.200 0.000 1.018 183 N HN 0.214 nan 8.380 nan 0.000 0.429 184 I N 0.454 121.079 120.570 0.091 0.000 2.233 184 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 184 I C 2.107 178.244 176.117 0.034 0.000 1.093 184 I CA 1.073 62.401 61.300 0.046 0.000 1.380 184 I CB -0.284 37.731 38.000 0.025 0.000 1.067 184 I HN 0.177 nan 8.210 nan 0.000 0.413 185 M N 0.647 120.271 119.600 0.041 0.000 2.213 185 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 185 M C 2.235 178.557 176.300 0.037 0.000 1.062 185 M CA 1.840 57.159 55.300 0.031 0.000 1.105 185 M CB -0.379 32.241 32.600 0.032 0.000 1.385 185 M HN 0.275 nan 8.290 nan 0.000 0.417 186 A N -0.935 121.921 122.820 0.061 0.000 2.208 186 A HA 0.076 4.396 4.320 -0.000 0.000 0.209 186 A C 1.199 178.844 177.584 0.101 0.000 1.161 186 A CA 0.063 52.149 52.037 0.083 0.000 0.782 186 A CB -0.269 18.796 19.000 0.108 0.000 0.816 186 A HN 0.300 nan 8.150 nan 0.000 0.477 187 S N 0.319 116.064 115.700 0.075 0.000 2.571 187 S HA 0.371 4.841 4.470 -0.000 0.000 0.297 187 S C 1.360 175.975 174.600 0.025 0.000 1.234 187 S CA 0.891 59.139 58.200 0.081 0.000 1.120 187 S CB -0.484 62.739 63.200 0.038 0.000 0.923 187 S HN 1.744 nan 8.310 nan 0.000 0.504 188 G N 3.003 111.840 108.800 0.063 0.000 2.143 188 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 188 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 188 G C 0.461 175.036 174.900 -0.543 0.000 0.991 188 G CA 0.241 45.127 45.100 -0.358 0.000 0.689 188 G HN 0.791 nan 8.290 nan 0.000 0.522 189 V N -1.461 118.387 119.914 -0.110 0.000 3.484 189 V HA 0.531 4.651 4.120 -0.000 0.000 0.252 189 V C 0.786 177.003 176.094 0.204 0.000 1.282 189 V CA 1.086 63.361 62.300 -0.040 0.000 1.104 189 V CB 1.592 33.420 31.823 0.008 0.000 0.868 189 V HN 0.686 nan 8.190 nan 0.000 0.457 190 V N 1.021 121.178 119.914 0.404 0.000 2.852 190 V HA 0.473 4.593 4.120 -0.000 0.000 0.300 190 V C -2.918 173.428 176.094 0.419 0.000 1.205 190 V CA -1.941 60.599 62.300 0.401 0.000 0.940 190 V CB 2.945 34.899 31.823 0.219 0.000 1.047 190 V HN 0.151 nan 8.190 nan 0.000 0.429 191 P HA 0.234 nan 4.420 nan 0.000 0.267 191 P C -1.236 176.176 177.300 0.187 0.000 1.205 191 P CA 0.234 63.372 63.100 0.063 0.000 0.765 191 P CB 0.173 31.808 31.700 -0.107 0.000 0.828 192 Q N 2.939 122.871 119.800 0.219 0.000 2.456 192 Q HA 0.398 4.738 4.340 -0.000 0.000 0.252 192 Q C -0.481 175.634 176.000 0.190 0.000 1.042 192 Q CA -0.309 55.611 55.803 0.195 0.000 0.766 192 Q CB 0.925 29.772 28.738 0.183 0.000 1.196 192 Q HN 0.460 nan 8.270 nan 0.000 0.504 193 I N 1.555 122.252 120.570 0.212 0.000 2.312 193 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 193 I C 0.103 176.325 176.117 0.175 0.000 1.031 193 I CA -0.113 61.342 61.300 0.258 0.000 1.293 193 I CB 1.316 39.479 38.000 0.272 0.000 1.403 193 I HN 0.372 nan 8.210 nan 0.000 0.484 194 S N 7.705 123.493 115.700 0.145 0.000 2.480 194 S HA 0.550 5.020 4.470 -0.000 0.000 0.286 194 S C -0.181 174.494 174.600 0.124 0.000 1.180 194 S CA -0.577 57.678 58.200 0.093 0.000 1.075 194 S CB 0.866 64.099 63.200 0.055 0.000 0.996 194 S HN 0.461 nan 8.310 nan 0.000 0.487 195 M N 4.111 123.759 119.600 0.080 0.000 2.125 195 M HA 0.421 4.901 4.480 -0.000 0.000 0.321 195 M C -1.375 174.946 176.300 0.034 0.000 0.983 195 M CA -0.607 54.759 55.300 0.109 0.000 0.934 195 M CB 1.137 33.782 32.600 0.073 0.000 1.542 195 M HN 0.397 nan 8.290 nan 0.000 0.424 196 I N 4.471 125.057 120.570 0.028 0.000 2.315 196 I HA 0.271 4.441 4.170 -0.000 0.000 0.291 196 I C 0.470 176.563 176.117 -0.039 0.000 1.006 196 I CA 0.474 61.752 61.300 -0.036 0.000 1.265 196 I CB 1.001 38.955 38.000 -0.077 0.000 1.387 196 I HN 0.767 nan 8.210 nan 0.000 0.475 197 M N 4.801 124.354 119.600 -0.078 0.000 2.511 197 M HA 0.438 4.918 4.480 -0.000 0.000 0.387 197 M C 0.502 176.706 176.300 -0.160 0.000 1.112 197 M CA -0.188 55.065 55.300 -0.078 0.000 0.921 197 M CB 0.930 33.504 32.600 -0.043 0.000 1.501 197 M HN 0.773 nan 8.290 nan 0.000 0.538 198 G N 0.472 109.116 108.800 -0.261 0.000 2.635 198 G HA2 0.487 4.447 3.960 -0.000 0.000 0.194 198 G HA3 0.487 4.447 3.960 -0.000 0.000 0.194 198 G C -3.403 171.105 174.900 -0.653 0.000 1.198 198 G CA -0.494 44.341 45.100 -0.443 0.000 0.972 198 G HN -0.113 nan 8.290 nan 0.000 0.520 199 P HA 0.534 nan 4.420 nan 0.000 0.282 199 P C -1.038 175.911 177.300 -0.586 0.000 1.259 199 P CA -0.368 62.078 63.100 -1.090 0.000 0.826 199 P CB 1.813 33.102 31.700 -0.685 0.000 1.064 200 C N 2.356 121.330 119.300 -0.542 0.000 3.102 200 C HA 0.758 5.218 4.460 -0.000 0.000 0.363 200 C C -1.009 173.809 174.990 -0.287 0.000 1.048 200 C CA 0.032 58.877 59.018 -0.289 0.000 1.330 200 C CB -1.095 26.494 27.740 -0.251 0.000 1.771 200 C HN 0.653 nan 8.230 nan 0.000 0.526 201 A N 4.179 126.915 122.820 -0.141 0.000 2.386 201 A HA 0.979 5.299 4.320 -0.000 0.000 0.311 201 A C 0.466 178.041 177.584 -0.015 0.000 1.068 201 A CA 0.690 52.693 52.037 -0.057 0.000 0.743 201 A CB 1.093 20.169 19.000 0.127 0.000 1.258 201 A HN 2.687 nan 8.150 nan 0.000 0.429 202 G N 0.942 109.735 108.800 -0.012 0.000 2.527 202 G HA2 0.197 4.157 3.960 -0.000 0.000 0.227 202 G HA3 0.197 4.157 3.960 -0.000 0.000 0.227 202 G C 1.206 175.982 174.900 -0.207 0.000 1.291 202 G CA 0.550 45.613 45.100 -0.061 0.000 0.904 202 G HN 2.044 nan 8.290 nan 0.000 0.577 203 G N 0.121 108.806 108.800 -0.192 0.000 2.505 203 G HA2 0.125 4.085 3.960 -0.000 0.000 0.220 203 G HA3 0.125 4.085 3.960 -0.000 0.000 0.220 203 G C 2.282 177.074 174.900 -0.180 0.000 1.145 203 G CA 3.510 48.535 45.100 -0.126 0.000 0.761 203 G HN 2.178 nan 8.290 nan 0.000 0.571 204 A N 0.703 123.284 122.820 -0.399 0.000 1.909 204 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 204 A C 2.838 180.397 177.584 -0.043 0.000 1.223 204 A CA 3.718 55.672 52.037 -0.138 0.000 0.658 204 A CB -1.299 17.681 19.000 -0.032 0.000 0.831 204 A HN 1.207 nan 8.150 nan 0.000 0.462 205 V N -3.487 116.295 119.914 -0.219 0.000 2.363 205 V HA -0.346 3.774 4.120 -0.000 0.000 0.254 205 V C 2.234 178.202 176.094 -0.210 0.000 1.074 205 V CA 2.434 64.570 62.300 -0.272 0.000 1.069 205 V CB -1.617 29.949 31.823 -0.429 0.000 0.659 205 V HN 0.554 nan 8.190 nan 0.000 0.455 206 Y N 1.034 121.320 120.300 -0.024 0.000 2.569 206 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 206 Y C 3.006 178.895 175.900 -0.019 0.000 1.144 206 Y CA 1.054 59.071 58.100 -0.139 0.000 1.321 206 Y CB -1.034 37.151 38.460 -0.458 0.000 0.982 206 Y HN 0.426 nan 8.280 nan 0.000 0.558 207 S N -0.130 115.794 115.700 0.375 0.000 2.327 207 S HA -0.019 4.451 4.470 -0.000 0.000 0.213 207 S C -0.479 174.243 174.600 0.202 0.000 1.032 207 S CA 0.676 59.120 58.200 0.407 0.000 0.960 207 S CB -1.024 62.427 63.200 0.418 0.000 0.900 207 S HN 0.150 nan 8.310 nan 0.000 0.469 208 P HA -0.029 nan 4.420 nan 0.000 0.217 208 P C 1.324 178.625 177.300 0.002 0.000 1.148 208 P CA 1.489 64.624 63.100 0.059 0.000 0.828 208 P CB -0.215 31.491 31.700 0.009 0.000 0.783 209 A N -0.729 122.093 122.820 0.003 0.000 1.917 209 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 209 A C 2.010 179.583 177.584 -0.019 0.000 1.182 209 A CA 2.057 54.082 52.037 -0.019 0.000 0.633 209 A CB -1.423 17.609 19.000 0.054 0.000 0.819 209 A HN 0.180 nan 8.150 nan 0.000 0.448 210 M N 0.383 119.995 119.600 0.020 0.000 2.561 210 M HA 0.037 4.517 4.480 -0.000 0.000 0.238 210 M C 0.783 177.098 176.300 0.025 0.000 1.131 210 M CA 0.555 55.862 55.300 0.013 0.000 1.046 210 M CB -0.213 32.405 32.600 0.030 0.000 1.532 210 M HN 0.549 nan 8.290 nan 0.000 0.497 211 T N -2.850 111.717 114.554 0.022 0.000 2.788 211 T HA 0.149 4.499 4.350 -0.000 0.000 0.280 211 T C 0.693 175.343 174.700 -0.083 0.000 0.984 211 T CA -0.716 61.400 62.100 0.027 0.000 0.972 211 T CB 1.026 69.935 68.868 0.068 0.000 1.039 211 T HN 0.081 nan 8.240 nan 0.000 0.530 212 D N -0.551 119.773 120.400 -0.126 0.000 2.277 212 D HA 0.140 4.780 4.640 -0.000 0.000 0.208 212 D C -0.268 175.397 176.300 -1.059 0.000 0.962 212 D CA 1.004 54.706 54.000 -0.497 0.000 0.865 212 D CB -0.024 40.525 40.800 -0.419 0.000 0.939 212 D HN 0.429 nan 8.370 nan 0.000 0.510 213 F N -0.347 119.461 119.950 -0.238 0.000 2.619 213 F HA 0.453 4.980 4.527 -0.000 0.000 0.308 213 F C -0.460 175.071 175.800 -0.447 0.000 1.097 213 F CA -0.892 56.857 58.000 -0.418 0.000 0.953 213 F CB 1.974 40.705 39.000 -0.448 0.000 1.287 213 F HN -0.375 nan 8.300 nan 0.000 0.446 214 I N 3.127 123.429 120.570 -0.448 0.000 2.468 214 I HA 0.371 4.541 4.170 -0.000 0.000 0.284 214 I C -1.408 174.377 176.117 -0.553 0.000 1.038 214 I CA -0.334 60.741 61.300 -0.375 0.000 1.083 214 I CB 1.325 39.166 38.000 -0.266 0.000 1.223 214 I HN 0.385 nan 8.210 nan 0.000 0.443 215 F N 6.025 125.948 119.950 -0.046 0.000 2.480 215 F HA 0.648 5.175 4.527 -0.000 0.000 0.329 215 F C 0.187 175.910 175.800 -0.128 0.000 1.091 215 F CA -0.649 57.260 58.000 -0.151 0.000 0.972 215 F CB 1.905 40.861 39.000 -0.073 0.000 1.150 215 F HN 0.162 nan 8.300 nan 0.000 0.467 216 M N 2.101 121.696 119.600 -0.008 0.000 2.644 216 M HA 0.521 5.000 4.480 -0.000 0.000 0.304 216 M C -1.281 175.029 176.300 0.018 0.000 1.215 216 M CA -1.157 54.143 55.300 0.001 0.000 0.871 216 M CB 2.611 35.201 32.600 -0.017 0.000 1.740 216 M HN 0.150 nan 8.290 nan 0.000 0.464 217 V N 2.531 122.478 119.914 0.054 0.000 2.318 217 V HA 0.138 4.258 4.120 -0.000 0.000 0.271 217 V C 0.875 177.003 176.094 0.055 0.000 1.030 217 V CA -0.392 61.959 62.300 0.085 0.000 0.844 217 V CB 0.683 32.551 31.823 0.075 0.000 1.015 217 V HN 0.844 nan 8.190 nan 0.000 0.460 218 K N 3.401 123.836 120.400 0.058 0.000 2.298 218 K HA -0.301 4.019 4.320 -0.000 0.000 0.206 218 K C 1.353 177.980 176.600 0.046 0.000 0.807 218 K CA 2.934 59.248 56.287 0.045 0.000 1.023 218 K CB -0.182 32.348 32.500 0.050 0.000 1.086 218 K HN 0.783 nan 8.250 nan 0.000 0.566 219 D N -2.477 117.951 120.400 0.047 0.000 2.454 219 D HA 0.094 4.734 4.640 -0.000 0.000 0.219 219 D C 1.156 177.493 176.300 0.061 0.000 1.081 219 D CA 0.899 54.930 54.000 0.051 0.000 0.867 219 D CB 0.380 41.206 40.800 0.043 0.000 1.054 219 D HN 0.362 nan 8.370 nan 0.000 0.500 220 S N 0.065 115.790 115.700 0.042 0.000 2.593 220 S HA 0.057 4.527 4.470 -0.000 0.000 0.217 220 S C 0.904 175.493 174.600 -0.019 0.000 0.966 220 S CA -0.337 57.877 58.200 0.022 0.000 0.914 220 S CB 0.027 63.227 63.200 0.000 0.000 0.776 220 S HN 0.075 nan 8.310 nan 0.000 0.523 221 S N 0.398 116.098 115.700 -0.001 0.000 2.638 221 S HA 0.854 5.324 4.470 -0.000 0.000 0.302 221 S C -0.861 173.760 174.600 0.034 0.000 1.096 221 S CA -0.852 57.293 58.200 -0.092 0.000 0.953 221 S CB 1.382 64.532 63.200 -0.084 0.000 1.107 221 S HN 0.855 nan 8.310 nan 0.000 0.503 222 Y N -1.760 118.482 120.300 -0.097 0.000 2.732 222 Y HA 0.703 5.253 4.550 -0.000 0.000 0.342 222 Y C -1.539 174.194 175.900 -0.278 0.000 1.203 222 Y CA -1.512 56.521 58.100 -0.111 0.000 1.092 222 Y CB 0.854 39.270 38.460 -0.074 0.000 1.345 222 Y HN 1.065 nan 8.280 nan 0.000 0.458 223 M N 2.348 121.935 119.600 -0.022 0.000 2.373 223 M HA 0.826 5.306 4.480 -0.000 0.000 0.290 223 M C -2.463 173.760 176.300 -0.129 0.000 1.143 223 M CA -0.535 54.589 55.300 -0.293 0.000 0.949 223 M CB 2.886 35.354 32.600 -0.220 0.000 1.756 223 M HN 1.030 nan 8.290 nan 0.000 0.494 224 F N -0.363 119.673 119.950 0.144 0.000 2.672 224 F HA 0.623 5.150 4.527 -0.000 0.000 0.311 224 F C -0.321 175.467 175.800 -0.021 0.000 1.113 224 F CA -1.199 56.847 58.000 0.077 0.000 0.996 224 F CB 0.297 39.345 39.000 0.080 0.000 1.286 224 F HN 0.309 nan 8.300 nan 0.000 0.441 225 V N 0.373 120.394 119.914 0.179 0.000 2.295 225 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 225 V C 0.804 176.982 176.094 0.140 0.000 1.049 225 V CA 2.407 64.731 62.300 0.039 0.000 1.024 225 V CB -0.541 31.280 31.823 -0.004 0.000 0.648 225 V HN 0.908 nan 8.190 nan 0.000 0.447 226 T N -0.350 114.292 114.554 0.145 0.000 2.856 226 T HA 0.604 4.954 4.350 -0.000 0.000 0.283 226 T C 0.196 174.831 174.700 -0.107 0.000 1.008 226 T CA -0.033 62.101 62.100 0.056 0.000 0.997 226 T CB 1.533 70.401 68.868 0.000 0.000 0.992 226 T HN 0.420 nan 8.240 nan 0.000 0.454 227 G N 2.213 110.944 108.800 -0.115 0.000 2.594 227 G HA2 0.333 4.293 3.960 -0.000 0.000 0.243 227 G HA3 0.333 4.293 3.960 -0.000 0.000 0.243 227 G C -1.621 173.020 174.900 -0.432 0.000 1.229 227 G CA -1.285 43.599 45.100 -0.361 0.000 0.843 227 G HN 0.414 nan 8.290 nan 0.000 0.578 228 P HA -0.113 nan 4.420 nan 0.000 0.218 228 P C 1.434 178.615 177.300 -0.199 0.000 1.148 228 P CA 1.524 64.408 63.100 -0.359 0.000 0.822 228 P CB 0.189 31.688 31.700 -0.334 0.000 0.784 229 D N -0.915 119.395 120.400 -0.150 0.000 2.149 229 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 229 D C 1.780 178.035 176.300 -0.075 0.000 0.972 229 D CA 0.983 54.930 54.000 -0.088 0.000 0.835 229 D CB -1.075 39.693 40.800 -0.055 0.000 0.966 229 D HN 0.063 nan 8.370 nan 0.000 0.476 230 V N 0.970 120.835 119.914 -0.082 0.000 2.591 230 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 230 V C 2.848 178.901 176.094 -0.069 0.000 1.053 230 V CA 0.717 62.982 62.300 -0.059 0.000 1.068 230 V CB -0.099 31.698 31.823 -0.043 0.000 0.689 230 V HN 0.073 nan 8.190 nan 0.000 0.462 231 V N 0.249 120.101 119.914 -0.104 0.000 2.568 231 V HA -0.302 3.818 4.120 -0.000 0.000 0.253 231 V C 2.335 178.384 176.094 -0.075 0.000 1.072 231 V CA 2.325 64.566 62.300 -0.098 0.000 1.084 231 V CB -0.673 31.065 31.823 -0.141 0.000 0.676 231 V HN 0.572 nan 8.190 nan 0.000 0.469 232 K N 0.705 121.060 120.400 -0.075 0.000 1.975 232 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 232 K C 2.291 178.866 176.600 -0.042 0.000 1.041 232 K CA 1.787 58.040 56.287 -0.057 0.000 0.942 232 K CB -0.526 31.940 32.500 -0.055 0.000 0.729 232 K HN 0.555 nan 8.250 nan 0.000 0.439 233 T N -1.535 112.996 114.554 -0.038 0.000 3.026 233 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 233 T C 1.432 176.117 174.700 -0.024 0.000 1.149 233 T CA 1.278 63.361 62.100 -0.028 0.000 1.088 233 T CB -0.013 68.841 68.868 -0.024 0.000 0.857 233 T HN 0.082 nan 8.240 nan 0.000 0.551 234 V N -0.626 119.271 119.914 -0.028 0.000 3.539 234 V HA 0.197 4.317 4.120 -0.000 0.000 0.262 234 V C 2.218 178.298 176.094 -0.023 0.000 1.381 234 V CA 0.776 63.062 62.300 -0.023 0.000 1.060 234 V CB 0.696 32.506 31.823 -0.021 0.000 0.842 234 V HN 0.452 nan 8.190 nan 0.000 0.445 235 T N -0.658 113.878 114.554 -0.030 0.000 2.975 235 T HA 0.166 4.516 4.350 -0.000 0.000 0.257 235 T C 1.007 175.690 174.700 -0.028 0.000 1.003 235 T CA 0.221 62.303 62.100 -0.029 0.000 0.932 235 T CB 0.019 68.866 68.868 -0.035 0.000 1.087 235 T HN 0.301 nan 8.240 nan 0.000 0.512 236 N N 1.722 120.404 118.700 -0.030 0.000 2.778 236 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 236 N C -0.071 175.420 175.510 -0.033 0.000 1.069 236 N CA 0.844 53.877 53.050 -0.028 0.000 0.831 236 N CB -0.540 37.934 38.487 -0.022 0.000 1.142 236 N HN 0.661 nan 8.380 nan 0.000 0.573 237 E N 0.694 120.870 120.200 -0.040 0.000 2.249 237 E HA 0.184 4.534 4.350 -0.000 0.000 0.280 237 E C -0.334 176.233 176.600 -0.055 0.000 1.016 237 E CA -0.376 55.998 56.400 -0.044 0.000 0.830 237 E CB 0.776 30.448 29.700 -0.047 0.000 1.081 237 E HN 0.030 nan 8.360 nan 0.000 0.395 238 Q N 4.361 124.130 119.800 -0.052 0.000 2.348 238 Q HA 0.407 4.747 4.340 -0.000 0.000 0.265 238 Q C -1.923 174.037 176.000 -0.066 0.000 0.998 238 Q CA -0.653 55.115 55.803 -0.058 0.000 0.831 238 Q CB 1.602 30.313 28.738 -0.044 0.000 1.251 238 Q HN 0.455 nan 8.270 nan 0.000 0.456 239 V N 3.111 122.972 119.914 -0.088 0.000 3.012 239 V HA 0.603 4.723 4.120 -0.000 0.000 0.307 239 V C -0.830 175.192 176.094 -0.119 0.000 1.166 239 V CA -0.348 61.894 62.300 -0.097 0.000 0.974 239 V CB 2.595 34.354 31.823 -0.108 0.000 1.040 239 V HN 0.922 nan 8.190 nan 0.000 0.428 240 S N 4.436 120.074 115.700 -0.104 0.000 2.610 240 S HA 0.661 5.131 4.470 -0.000 0.000 0.273 240 S C 1.307 175.818 174.600 -0.149 0.000 1.274 240 S CA 0.141 58.274 58.200 -0.111 0.000 1.023 240 S CB 1.632 64.787 63.200 -0.074 0.000 0.962 240 S HN 1.778 nan 8.310 nan 0.000 0.523 241 A N 1.412 124.118 122.820 -0.189 0.000 1.903 241 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 241 A C 2.083 179.578 177.584 -0.147 0.000 1.191 241 A CA 2.272 54.161 52.037 -0.245 0.000 0.638 241 A CB -1.445 17.239 19.000 -0.527 0.000 0.823 241 A HN 1.010 nan 8.150 nan 0.000 0.451 242 E N 0.258 120.389 120.200 -0.115 0.000 2.118 242 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 242 E C 1.826 178.410 176.600 -0.027 0.000 0.992 242 E CA 2.016 58.400 56.400 -0.027 0.000 0.804 242 E CB -0.343 29.355 29.700 -0.003 0.000 0.741 242 E HN 0.744 nan 8.360 nan 0.000 0.458 243 E N -0.508 119.661 120.200 -0.052 0.000 2.047 243 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 243 E C 2.011 178.569 176.600 -0.070 0.000 0.987 243 E CA 0.932 57.298 56.400 -0.057 0.000 0.799 243 E CB -0.211 29.452 29.700 -0.062 0.000 0.752 243 E HN 0.200 nan 8.360 nan 0.000 0.449 244 L N -0.046 121.130 121.223 -0.078 0.000 1.970 244 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 244 L C 1.455 178.324 176.870 -0.002 0.000 1.071 244 L CA 2.252 57.046 54.840 -0.076 0.000 0.751 244 L CB -0.370 41.563 42.059 -0.211 0.000 0.889 244 L HN 0.124 nan 8.230 nan 0.000 0.432 245 G N -1.079 107.814 108.800 0.154 0.000 4.917 245 G HA2 0.484 4.444 3.960 -0.000 0.000 0.244 245 G HA3 0.484 4.444 3.960 -0.000 0.000 0.244 245 G C 0.158 175.112 174.900 0.089 0.000 1.072 245 G CA 0.093 45.223 45.100 0.051 0.000 0.850 245 G HN 0.621 nan 8.290 nan 0.000 0.559 246 G N -0.611 108.194 108.800 0.007 0.000 2.562 246 G HA2 0.524 4.484 3.960 -0.000 0.000 0.275 246 G HA3 0.524 4.484 3.960 -0.000 0.000 0.275 246 G C 1.301 176.245 174.900 0.074 0.000 1.196 246 G CA 0.319 45.471 45.100 0.087 0.000 0.908 246 G HN 0.581 nan 8.290 nan 0.000 0.524 247 A N 0.068 122.942 122.820 0.090 0.000 1.903 247 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 247 A C 2.491 180.104 177.584 0.048 0.000 1.191 247 A CA 2.802 54.881 52.037 0.069 0.000 0.638 247 A CB -1.165 17.860 19.000 0.041 0.000 0.823 247 A HN 0.616 nan 8.150 nan 0.000 0.451 248 T N -0.140 114.429 114.554 0.026 0.000 2.674 248 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 248 T C 2.037 176.741 174.700 0.007 0.000 1.039 248 T CA 1.992 64.102 62.100 0.016 0.000 1.150 248 T CB -0.819 68.054 68.868 0.009 0.000 0.864 248 T HN 0.614 nan 8.240 nan 0.000 0.427 249 T N 1.456 115.985 114.554 -0.040 0.000 2.653 249 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 249 T C 1.782 176.436 174.700 -0.077 0.000 1.035 249 T CA 1.504 63.543 62.100 -0.103 0.000 1.154 249 T CB -0.458 68.268 68.868 -0.236 0.000 0.862 249 T HN 0.456 nan 8.240 nan 0.000 0.441 250 H N 0.845 119.918 119.070 0.004 0.000 2.436 250 H HA 0.068 4.624 4.556 -0.000 0.000 0.294 250 H C 2.683 177.970 175.328 -0.070 0.000 1.048 250 H CA 1.680 57.706 56.048 -0.037 0.000 1.353 250 H CB -0.541 29.191 29.762 -0.049 0.000 1.414 250 H HN 0.547 nan 8.280 nan 0.000 0.536 251 T N -0.776 113.827 114.554 0.081 0.000 3.088 251 T HA 0.005 4.355 4.350 -0.000 0.000 0.259 251 T C 1.565 176.323 174.700 0.097 0.000 1.122 251 T CA 0.366 62.482 62.100 0.026 0.000 1.095 251 T CB 0.144 69.012 68.868 0.001 0.000 0.930 251 T HN 0.507 nan 8.240 nan 0.000 0.508 252 R N -0.733 119.850 120.500 0.139 0.000 2.526 252 R HA 0.443 4.783 4.340 -0.000 0.000 0.346 252 R C 1.530 177.991 176.300 0.268 0.000 0.926 252 R CA -0.395 55.841 56.100 0.227 0.000 1.147 252 R CB 0.139 30.506 30.300 0.111 0.000 1.629 252 R HN 0.196 nan 8.270 nan 0.000 0.516 253 K N 1.178 121.703 120.400 0.210 0.000 2.362 253 K HA 0.097 4.417 4.320 -0.000 0.000 0.203 253 K C 1.625 178.353 176.600 0.215 0.000 1.198 253 K CA 1.026 57.419 56.287 0.177 0.000 0.908 253 K CB 0.549 33.088 32.500 0.065 0.000 1.236 253 K HN 0.121 nan 8.250 nan 0.000 0.487 254 S N 0.134 115.922 115.700 0.147 0.000 2.425 254 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 254 S C 0.973 175.547 174.600 -0.044 0.000 1.024 254 S CA 0.947 59.214 58.200 0.113 0.000 0.951 254 S CB 0.127 63.472 63.200 0.242 0.000 0.796 254 S HN 0.453 nan 8.310 nan 0.000 0.498 255 S N -1.149 114.350 115.700 -0.336 0.000 3.149 255 S HA -0.160 4.310 4.470 -0.000 0.000 0.276 255 S C 0.731 174.998 174.600 -0.554 0.000 1.312 255 S CA 0.513 58.086 58.200 -1.046 0.000 0.994 255 S CB -2.555 60.100 63.200 -0.909 0.000 1.217 255 S HN 0.611 nan 8.310 nan 0.000 0.681 256 V N 0.684 120.409 119.914 -0.315 0.000 2.500 256 V HA 0.530 4.650 4.120 -0.000 0.000 0.243 256 V C 1.801 177.706 176.094 -0.314 0.000 1.039 256 V CA 1.266 63.382 62.300 -0.306 0.000 1.053 256 V CB -0.570 31.013 31.823 -0.400 0.000 0.695 256 V HN 1.098 nan 8.190 nan 0.000 0.463 257 A N -0.107 122.556 122.820 -0.262 0.000 2.295 257 A HA 0.398 4.718 4.320 -0.000 0.000 0.318 257 A C 0.502 177.939 177.584 -0.245 0.000 1.134 257 A CA -0.349 51.543 52.037 -0.242 0.000 0.827 257 A CB 0.481 19.387 19.000 -0.156 0.000 1.136 257 A HN 0.323 nan 8.150 nan 0.000 0.493 258 D N 0.060 120.280 120.400 -0.301 0.000 2.354 258 D HA 0.382 5.022 4.640 -0.000 0.000 0.209 258 D C 0.322 176.543 176.300 -0.132 0.000 1.015 258 D CA 1.516 55.371 54.000 -0.241 0.000 0.867 258 D CB 0.570 41.165 40.800 -0.341 0.000 0.933 258 D HN 0.786 nan 8.370 nan 0.000 0.520 259 A N 0.119 122.853 122.820 -0.144 0.000 2.586 259 A HA 0.567 4.887 4.320 -0.000 0.000 0.298 259 A C -1.733 175.655 177.584 -0.326 0.000 1.013 259 A CA -0.417 51.504 52.037 -0.193 0.000 0.707 259 A CB 0.785 19.656 19.000 -0.216 0.000 1.276 259 A HN 0.007 nan 8.150 nan 0.000 0.414 260 A N 1.517 124.165 122.820 -0.286 0.000 2.267 260 A HA 0.754 5.074 4.320 -0.000 0.000 0.315 260 A C -0.617 176.853 177.584 -0.189 0.000 1.297 260 A CA -0.343 51.565 52.037 -0.215 0.000 0.865 260 A CB -0.114 18.844 19.000 -0.070 0.000 1.165 260 A HN 0.818 nan 8.150 nan 0.000 0.513 261 F N 0.814 120.774 119.950 0.016 0.000 2.389 261 F HA 0.230 4.757 4.527 -0.000 0.000 0.337 261 F C 1.591 177.381 175.800 -0.016 0.000 1.112 261 F CA -0.397 57.589 58.000 -0.023 0.000 1.192 261 F CB 1.103 40.073 39.000 -0.051 0.000 1.185 261 F HN 0.760 nan 8.300 nan 0.000 0.552 262 E N 1.404 121.725 120.200 0.202 0.000 2.118 262 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 262 E C -0.475 176.169 176.600 0.073 0.000 0.992 262 E CA 1.542 57.999 56.400 0.096 0.000 0.804 262 E CB -0.022 29.712 29.700 0.057 0.000 0.741 262 E HN 0.736 nan 8.360 nan 0.000 0.458 263 N N -2.938 115.804 118.700 0.070 0.000 3.116 263 N HA 0.127 4.867 4.740 -0.000 0.000 0.244 263 N C -0.493 175.031 175.510 0.022 0.000 1.485 263 N CA -0.281 52.792 53.050 0.039 0.000 0.884 263 N CB 0.199 38.694 38.487 0.012 0.000 1.415 263 N HN -0.347 nan 8.380 nan 0.000 0.524 264 D N -0.444 119.962 120.400 0.010 0.000 2.133 264 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 264 D C 1.566 177.835 176.300 -0.052 0.000 0.997 264 D CA 1.357 55.352 54.000 -0.008 0.000 0.840 264 D CB -0.081 40.718 40.800 -0.001 0.000 0.947 264 D HN 0.356 nan 8.370 nan 0.000 0.452 265 V N 0.510 120.387 119.914 -0.060 0.000 2.307 265 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 265 V C 2.176 178.182 176.094 -0.146 0.000 1.045 265 V CA 1.641 63.887 62.300 -0.091 0.000 1.024 265 V CB -0.402 31.377 31.823 -0.074 0.000 0.651 265 V HN 0.212 nan 8.190 nan 0.000 0.449 266 E N 0.128 120.231 120.200 -0.162 0.000 2.106 266 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 266 E C 2.327 178.611 176.600 -0.526 0.000 0.984 266 E CA 1.083 57.320 56.400 -0.272 0.000 0.806 266 E CB -0.317 29.255 29.700 -0.212 0.000 0.750 266 E HN 0.587 nan 8.360 nan 0.000 0.458 267 A N 1.588 124.154 122.820 -0.425 0.000 1.859 267 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 267 A C 2.207 179.514 177.584 -0.462 0.000 1.198 267 A CA 1.403 53.141 52.037 -0.498 0.000 0.629 267 A CB -0.898 18.122 19.000 0.034 0.000 0.830 267 A HN 0.159 nan 8.150 nan 0.000 0.446 268 L N -1.006 120.064 121.223 -0.255 0.000 2.012 268 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 268 L C 3.151 179.877 176.870 -0.240 0.000 1.073 268 L CA 1.220 55.936 54.840 -0.205 0.000 0.748 268 L CB -0.716 41.255 42.059 -0.147 0.000 0.891 268 L HN 0.490 nan 8.230 nan 0.000 0.431 269 A N -0.321 122.344 122.820 -0.258 0.000 1.883 269 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 269 A C 2.177 179.613 177.584 -0.248 0.000 1.186 269 A CA 1.557 53.462 52.037 -0.220 0.000 0.624 269 A CB -0.388 18.493 19.000 -0.198 0.000 0.822 269 A HN 0.359 nan 8.150 nan 0.000 0.444 270 E N -0.198 119.748 120.200 -0.422 0.000 2.204 270 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 270 E C 2.115 178.566 176.600 -0.249 0.000 0.989 270 E CA 1.041 57.218 56.400 -0.373 0.000 0.824 270 E CB -0.417 28.756 29.700 -0.879 0.000 0.756 270 E HN 0.420 nan 8.360 nan 0.000 0.477 271 V N 1.268 120.987 119.914 -0.325 0.000 2.453 271 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 271 V C 2.310 178.298 176.094 -0.177 0.000 1.048 271 V CA 1.468 63.620 62.300 -0.247 0.000 1.049 271 V CB -0.349 31.372 31.823 -0.171 0.000 0.672 271 V HN 0.195 nan 8.190 nan 0.000 0.457 272 R N -0.262 120.148 120.500 -0.150 0.000 2.081 272 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 272 R C 2.537 178.776 176.300 -0.101 0.000 1.131 272 R CA 1.227 57.260 56.100 -0.111 0.000 0.960 272 R CB -0.466 29.776 30.300 -0.098 0.000 0.856 272 R HN 0.326 nan 8.270 nan 0.000 0.436 273 R N 1.246 121.695 120.500 -0.085 0.000 2.096 273 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 273 R C 2.296 178.531 176.300 -0.108 0.000 1.139 273 R CA 1.592 57.681 56.100 -0.018 0.000 0.952 273 R CB -0.532 29.835 30.300 0.111 0.000 0.854 273 R HN 0.168 nan 8.270 nan 0.000 0.436 274 L N 0.754 121.738 121.223 -0.399 0.000 1.955 274 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 274 L C 2.357 179.049 176.870 -0.297 0.000 1.072 274 L CA 1.698 56.108 54.840 -0.717 0.000 0.755 274 L CB -0.823 40.817 42.059 -0.698 0.000 0.888 274 L HN -0.041 nan 8.230 nan 0.000 0.432 275 V N 0.353 120.154 119.914 -0.189 0.000 2.363 275 V HA -0.379 3.741 4.120 -0.000 0.000 0.254 275 V C 2.165 178.220 176.094 -0.065 0.000 1.074 275 V CA 2.110 64.348 62.300 -0.102 0.000 1.069 275 V CB -1.022 30.761 31.823 -0.068 0.000 0.659 275 V HN 0.547 nan 8.190 nan 0.000 0.455 276 D N -1.050 119.320 120.400 -0.050 0.000 2.351 276 D HA -0.125 4.515 4.640 -0.000 0.000 0.216 276 D C 1.802 178.038 176.300 -0.106 0.000 0.968 276 D CA 1.247 55.200 54.000 -0.077 0.000 0.899 276 D CB -0.087 40.645 40.800 -0.113 0.000 0.907 276 D HN 0.547 nan 8.370 nan 0.000 0.514 277 F N 0.000 119.796 119.950 -0.257 0.000 2.505 277 F HA 0.162 4.689 4.527 -0.000 0.000 0.289 277 F C 1.234 176.851 175.800 -0.305 0.000 1.101 277 F CA -0.162 57.660 58.000 -0.297 0.000 1.446 277 F CB 0.292 39.008 39.000 -0.472 0.000 1.123 277 F HN -0.244 nan 8.300 nan 0.000 0.564 278 L N 2.396 123.568 121.223 -0.084 0.000 2.417 278 L HA 0.213 4.553 4.340 -0.000 0.000 0.268 278 L C -2.059 174.757 176.870 -0.089 0.000 1.158 278 L CA -2.031 52.732 54.840 -0.128 0.000 0.819 278 L CB 0.014 42.005 42.059 -0.114 0.000 1.112 278 L HN -0.223 nan 8.230 nan 0.000 0.458 279 P HA 0.127 nan 4.420 nan 0.000 0.276 279 P C 0.382 177.672 177.300 -0.017 0.000 1.244 279 P CA -0.464 62.618 63.100 -0.030 0.000 0.801 279 P CB 1.144 32.856 31.700 0.019 0.000 1.006 280 L N 0.279 121.520 121.223 0.031 0.000 2.395 280 L HA -0.030 4.310 4.340 -0.000 0.000 0.218 280 L C 0.782 177.719 176.870 0.112 0.000 1.130 280 L CA 1.075 55.950 54.840 0.059 0.000 0.826 280 L CB -0.710 41.388 42.059 0.066 0.000 0.941 280 L HN 0.626 nan 8.230 nan 0.000 0.451 281 N N -3.828 114.967 118.700 0.159 0.000 3.465 281 N HA -0.040 4.700 4.740 -0.000 0.000 0.244 281 N C -0.151 175.528 175.510 0.281 0.000 1.454 281 N CA -0.397 52.809 53.050 0.261 0.000 0.865 281 N CB -0.177 38.407 38.487 0.162 0.000 1.439 281 N HN -0.162 nan 8.380 nan 0.000 0.480 282 N N -0.874 117.932 118.700 0.177 0.000 2.571 282 N HA -0.006 4.734 4.740 -0.000 0.000 0.189 282 N C 0.614 176.123 175.510 -0.003 0.000 1.154 282 N CA 0.578 53.620 53.050 -0.013 0.000 0.907 282 N CB 0.025 38.347 38.487 -0.274 0.000 0.977 282 N HN 0.377 nan 8.380 nan 0.000 0.449 283 R N 0.671 121.192 120.500 0.035 0.000 2.064 283 R HA 0.087 4.427 4.340 -0.000 0.000 0.221 283 R C 0.593 176.911 176.300 0.029 0.000 1.136 283 R CA 0.658 56.771 56.100 0.022 0.000 0.980 283 R CB -0.523 29.792 30.300 0.025 0.000 0.876 283 R HN 0.698 nan 8.270 nan 0.000 0.437 284 E N 1.427 121.653 120.200 0.044 0.000 2.369 284 E HA 0.214 4.564 4.350 -0.000 0.000 0.255 284 E C -0.433 176.190 176.600 0.038 0.000 1.172 284 E CA -0.318 56.104 56.400 0.037 0.000 0.932 284 E CB 0.962 30.684 29.700 0.037 0.000 1.040 284 E HN -0.148 nan 8.360 nan 0.000 0.454 285 K N 0.456 120.871 120.400 0.025 0.000 2.168 285 K HA 0.344 4.664 4.320 -0.000 0.000 0.239 285 K C -2.383 174.223 176.600 0.010 0.000 0.999 285 K CA -2.299 54.001 56.287 0.021 0.000 0.900 285 K CB 0.792 33.300 32.500 0.015 0.000 1.111 285 K HN 0.364 nan 8.250 nan 0.000 0.452 286 P HA -0.095 nan 4.420 nan 0.000 0.263 286 P C -2.362 174.919 177.300 -0.031 0.000 1.162 286 P CA -0.370 62.717 63.100 -0.021 0.000 0.758 286 P CB -0.313 31.371 31.700 -0.028 0.000 0.773 287 P HA 0.030 nan 4.420 nan 0.000 0.270 287 P C -0.831 176.429 177.300 -0.067 0.000 1.223 287 P CA 0.217 63.288 63.100 -0.049 0.000 0.785 287 P CB 0.595 32.261 31.700 -0.058 0.000 0.923 288 V N 1.340 121.220 119.914 -0.057 0.000 2.864 288 V HA 0.783 4.903 4.120 -0.000 0.000 0.314 288 V C 0.401 176.460 176.094 -0.059 0.000 1.073 288 V CA -0.748 61.515 62.300 -0.062 0.000 0.956 288 V CB 1.707 33.508 31.823 -0.036 0.000 1.023 288 V HN 0.873 nan 8.190 nan 0.000 0.435 289 R N 1.665 122.130 120.500 -0.059 0.000 2.728 289 R HA 0.635 4.975 4.340 -0.000 0.000 0.274 289 R C -3.331 172.953 176.300 -0.027 0.000 1.030 289 R CA -1.591 54.475 56.100 -0.056 0.000 0.876 289 R CB 1.101 31.345 30.300 -0.094 0.000 1.259 289 R HN 0.461 nan 8.270 nan 0.000 0.468 290 P HA 0.147 nan 4.420 nan 0.000 0.270 290 P C -1.268 175.852 177.300 -0.299 0.000 1.223 290 P CA -0.067 62.905 63.100 -0.213 0.000 0.785 290 P CB 0.133 31.643 31.700 -0.316 0.000 0.923 291 F N -0.966 118.621 119.950 -0.605 0.000 2.689 291 F HA 0.502 5.029 4.527 -0.000 0.000 0.332 291 F C -1.394 174.132 175.800 -0.457 0.000 1.209 291 F CA -1.168 56.507 58.000 -0.542 0.000 1.028 291 F CB 0.368 39.226 39.000 -0.236 0.000 1.291 291 F HN 0.021 nan 8.300 nan 0.000 0.500 292 F N 3.344 123.254 119.950 -0.066 0.000 2.573 292 F HA 0.430 4.957 4.527 -0.000 0.000 0.349 292 F C 0.106 175.904 175.800 -0.004 0.000 1.213 292 F CA -0.250 57.685 58.000 -0.107 0.000 1.300 292 F CB -0.110 38.857 39.000 -0.055 0.000 1.661 292 F HN 0.567 nan 8.300 nan 0.000 0.616 293 D N 0.615 121.089 120.400 0.123 0.000 2.622 293 D HA 0.113 4.753 4.640 -0.000 0.000 0.255 293 D C -1.946 174.486 176.300 0.221 0.000 1.246 293 D CA -0.527 53.599 54.000 0.209 0.000 0.795 293 D CB 2.661 43.635 40.800 0.289 0.000 1.369 293 D HN 0.240 nan 8.370 nan 0.000 0.425 294 D N 1.023 121.538 120.400 0.192 0.000 2.308 294 D HA 0.384 5.024 4.640 -0.000 0.000 0.242 294 D C -1.606 174.809 176.300 0.191 0.000 1.059 294 D CA -2.022 52.091 54.000 0.188 0.000 0.830 294 D CB 2.276 43.141 40.800 0.107 0.000 1.161 294 D HN -0.054 nan 8.370 nan 0.000 0.494 295 P HA -0.093 nan 4.420 nan 0.000 0.223 295 P C -0.148 177.210 177.300 0.097 0.000 1.144 295 P CA 0.850 64.031 63.100 0.136 0.000 0.783 295 P CB 0.374 32.151 31.700 0.128 0.000 0.771 296 D N -0.839 119.617 120.400 0.094 0.000 2.388 296 D HA 0.044 4.684 4.640 -0.000 0.000 0.221 296 D C 0.870 177.207 176.300 0.061 0.000 1.133 296 D CA -0.201 53.840 54.000 0.067 0.000 0.831 296 D CB -0.033 40.803 40.800 0.059 0.000 0.962 296 D HN 0.195 nan 8.370 nan 0.000 0.502 297 R N 1.112 121.657 120.500 0.074 0.000 2.522 297 R HA 0.150 4.490 4.340 -0.000 0.000 0.284 297 R C -0.550 175.781 176.300 0.052 0.000 1.032 297 R CA 0.072 56.212 56.100 0.066 0.000 1.049 297 R CB 0.285 30.635 30.300 0.083 0.000 0.956 297 R HN -0.218 nan 8.270 nan 0.000 0.422 298 I N 3.572 124.165 120.570 0.039 0.000 2.377 298 I HA 0.197 4.367 4.170 -0.000 0.000 0.293 298 I C -0.448 175.683 176.117 0.024 0.000 0.987 298 I CA -0.139 61.176 61.300 0.025 0.000 1.185 298 I CB 1.944 39.950 38.000 0.010 0.000 1.341 298 I HN 0.534 nan 8.210 nan 0.000 0.455 299 E N 7.850 128.062 120.200 0.021 0.000 2.256 299 E HA 0.289 4.639 4.350 -0.000 0.000 0.243 299 E C -2.048 174.544 176.600 -0.014 0.000 0.925 299 E CA -1.809 54.604 56.400 0.020 0.000 0.748 299 E CB 1.242 30.972 29.700 0.049 0.000 1.206 299 E HN 0.287 nan 8.360 nan 0.000 0.428 300 P HA -0.112 nan 4.420 nan 0.000 0.220 300 P C 1.173 178.438 177.300 -0.059 0.000 1.148 300 P CA 0.876 63.947 63.100 -0.049 0.000 0.803 300 P CB 0.354 32.034 31.700 -0.034 0.000 0.782 301 S N 0.258 115.940 115.700 -0.029 0.000 2.402 301 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 301 S C 1.845 176.420 174.600 -0.043 0.000 1.030 301 S CA 1.212 59.400 58.200 -0.020 0.000 1.003 301 S CB -1.581 61.626 63.200 0.012 0.000 0.813 301 S HN 0.158 nan 8.310 nan 0.000 0.477 302 L N 1.478 122.666 121.223 -0.058 0.000 2.083 302 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 302 L C 1.941 178.628 176.870 -0.305 0.000 1.083 302 L CA 1.211 55.981 54.840 -0.116 0.000 0.752 302 L CB -0.807 41.198 42.059 -0.091 0.000 0.899 302 L HN 0.175 nan 8.230 nan 0.000 0.433 303 D N -0.522 119.708 120.400 -0.284 0.000 2.389 303 D HA -0.137 4.503 4.640 -0.000 0.000 0.221 303 D C 1.715 177.874 176.300 -0.236 0.000 0.974 303 D CA 1.567 55.378 54.000 -0.314 0.000 0.923 303 D CB 0.006 40.680 40.800 -0.209 0.000 0.892 303 D HN 0.446 nan 8.370 nan 0.000 0.518 304 T N -3.458 110.994 114.554 -0.170 0.000 3.209 304 T HA 0.110 4.460 4.350 -0.000 0.000 0.295 304 T C 1.383 176.029 174.700 -0.090 0.000 0.977 304 T CA -0.407 61.626 62.100 -0.111 0.000 0.922 304 T CB -0.166 68.661 68.868 -0.067 0.000 1.152 304 T HN -0.036 nan 8.240 nan 0.000 0.527 305 L N 2.261 123.421 121.223 -0.106 0.000 2.083 305 L HA 0.307 4.647 4.340 -0.000 0.000 0.209 305 L C 0.609 177.345 176.870 -0.224 0.000 1.083 305 L CA 1.316 56.117 54.840 -0.066 0.000 0.752 305 L CB -0.373 41.711 42.059 0.042 0.000 0.899 305 L HN 0.213 nan 8.230 nan 0.000 0.433 306 V N 3.532 123.293 119.914 -0.256 0.000 2.439 306 V HA 0.207 4.327 4.120 -0.000 0.000 0.271 306 V C -1.837 174.170 176.094 -0.145 0.000 1.040 306 V CA -1.402 60.687 62.300 -0.353 0.000 1.002 306 V CB -0.046 31.678 31.823 -0.165 0.000 1.000 306 V HN 0.287 nan 8.190 nan 0.000 0.477 307 P HA 0.104 nan 4.420 nan 0.000 0.269 307 P C 0.405 177.713 177.300 0.014 0.000 1.215 307 P CA -0.157 62.947 63.100 0.006 0.000 0.780 307 P CB 1.255 32.996 31.700 0.069 0.000 0.898 308 D N 0.436 120.846 120.400 0.017 0.000 2.084 308 D HA -0.125 4.515 4.640 -0.000 0.000 0.194 308 D C 0.775 177.098 176.300 0.037 0.000 0.990 308 D CA 1.451 55.464 54.000 0.022 0.000 0.826 308 D CB -0.309 40.501 40.800 0.016 0.000 0.971 308 D HN 0.473 nan 8.370 nan 0.000 0.453 309 N N 1.620 120.344 118.700 0.041 0.000 2.468 309 N HA -0.029 4.711 4.740 -0.000 0.000 0.265 309 N C -1.732 173.816 175.510 0.063 0.000 1.199 309 N CA -0.920 52.159 53.050 0.047 0.000 0.928 309 N CB 1.430 39.942 38.487 0.042 0.000 1.059 309 N HN -0.078 nan 8.380 nan 0.000 0.467 310 P HA -0.018 nan 4.420 nan 0.000 0.233 310 P C -0.375 176.971 177.300 0.077 0.000 1.167 310 P CA 0.871 64.020 63.100 0.083 0.000 0.770 310 P CB 0.300 32.048 31.700 0.080 0.000 0.837 311 N N -1.075 117.661 118.700 0.060 0.000 2.336 311 N HA 0.026 4.766 4.740 -0.000 0.000 0.189 311 N C 0.095 175.638 175.510 0.055 0.000 1.113 311 N CA 0.499 53.578 53.050 0.048 0.000 0.858 311 N CB -0.164 38.343 38.487 0.032 0.000 0.970 311 N HN -0.006 nan 8.380 nan 0.000 0.471 312 T N 2.099 116.698 114.554 0.076 0.000 2.767 312 T HA 0.353 4.703 4.350 -0.000 0.000 0.288 312 T C -2.207 172.576 174.700 0.139 0.000 0.963 312 T CA -1.330 60.822 62.100 0.086 0.000 1.019 312 T CB 1.945 70.862 68.868 0.081 0.000 0.923 312 T HN -0.079 nan 8.240 nan 0.000 0.468 313 P HA 0.400 nan 4.420 nan 0.000 0.312 313 P C -1.293 176.159 177.300 0.253 0.000 1.307 313 P CA -0.234 62.933 63.100 0.112 0.000 0.738 313 P CB 0.370 32.066 31.700 -0.007 0.000 1.422 314 Y N -4.492 115.831 120.300 0.038 0.000 2.732 314 Y HA 0.431 4.981 4.550 -0.000 0.000 0.342 314 Y C -1.762 174.163 175.900 0.041 0.000 1.203 314 Y CA -1.310 56.819 58.100 0.047 0.000 1.092 314 Y CB -0.011 38.489 38.460 0.067 0.000 1.345 314 Y HN 0.060 nan 8.280 nan 0.000 0.458 315 D N 2.454 122.896 120.400 0.069 0.000 2.428 315 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 315 D C 0.845 177.143 176.300 -0.004 0.000 1.123 315 D CA -0.285 53.691 54.000 -0.039 0.000 0.869 315 D CB 1.477 42.300 40.800 0.038 0.000 1.032 315 D HN 0.793 nan 8.370 nan 0.000 0.506 316 M N 4.233 123.718 119.600 -0.192 0.000 2.192 316 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 316 M C 1.411 177.696 176.300 -0.024 0.000 1.071 316 M CA 1.762 57.022 55.300 -0.066 0.000 1.082 316 M CB -0.109 32.401 32.600 -0.151 0.000 1.373 316 M HN 0.260 nan 8.290 nan 0.000 0.408 317 K N -0.665 119.711 120.400 -0.040 0.000 2.280 317 K HA -0.190 4.130 4.320 -0.000 0.000 0.202 317 K C 1.949 178.586 176.600 0.061 0.000 1.047 317 K CA 1.338 57.590 56.287 -0.059 0.000 0.942 317 K CB -0.227 32.285 32.500 0.020 0.000 0.739 317 K HN 0.585 nan 8.250 nan 0.000 0.457 318 E N 1.073 121.353 120.200 0.134 0.000 2.031 318 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 318 E C 2.001 178.696 176.600 0.159 0.000 0.994 318 E CA 0.931 57.440 56.400 0.182 0.000 0.800 318 E CB -0.006 29.802 29.700 0.179 0.000 0.752 318 E HN 0.116 nan 8.360 nan 0.000 0.447 319 L N 1.407 122.719 121.223 0.148 0.000 1.990 319 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 319 L C 2.213 179.107 176.870 0.040 0.000 1.072 319 L CA 1.800 56.723 54.840 0.139 0.000 0.755 319 L CB -0.629 41.514 42.059 0.140 0.000 0.889 319 L HN 0.283 nan 8.230 nan 0.000 0.432 320 I N -0.965 119.546 120.570 -0.099 0.000 2.145 320 I HA -0.399 3.771 4.170 -0.000 0.000 0.244 320 I C 2.543 178.530 176.117 -0.217 0.000 1.075 320 I CA 1.625 62.758 61.300 -0.278 0.000 1.332 320 I CB -0.676 36.915 38.000 -0.682 0.000 1.033 320 I HN 0.445 nan 8.210 nan 0.000 0.410 321 H N 1.203 120.239 119.070 -0.058 0.000 2.353 321 H HA -0.106 4.450 4.556 -0.000 0.000 0.300 321 H C 2.202 177.571 175.328 0.067 0.000 1.090 321 H CA 1.221 57.289 56.048 0.035 0.000 1.327 321 H CB -0.126 29.673 29.762 0.062 0.000 1.383 321 H HN 0.384 nan 8.280 nan 0.000 0.508 322 K N 0.446 120.955 120.400 0.183 0.000 2.148 322 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 322 K C 2.342 179.017 176.600 0.125 0.000 1.050 322 K CA 0.598 56.972 56.287 0.146 0.000 0.942 322 K CB 0.114 32.694 32.500 0.133 0.000 0.724 322 K HN 0.211 nan 8.250 nan 0.000 0.446 323 L N 1.064 122.351 121.223 0.106 0.000 2.095 323 L HA 0.027 4.367 4.340 -0.000 0.000 0.204 323 L C 1.304 178.236 176.870 0.102 0.000 1.080 323 L CA -0.105 54.794 54.840 0.099 0.000 0.759 323 L CB -0.552 41.557 42.059 0.083 0.000 0.914 323 L HN 0.039 nan 8.230 nan 0.000 0.439 324 A N 0.618 123.498 122.820 0.100 0.000 2.586 324 A HA -0.107 4.213 4.320 -0.000 0.000 0.231 324 A C 0.674 178.348 177.584 0.149 0.000 1.055 324 A CA -0.075 52.044 52.037 0.136 0.000 0.756 324 A CB 0.055 19.160 19.000 0.176 0.000 0.988 324 A HN 0.222 nan 8.150 nan 0.000 0.509 325 D N 0.536 121.019 120.400 0.138 0.000 1.922 325 D HA -0.123 4.517 4.640 -0.000 0.000 0.271 325 D C 0.957 177.359 176.300 0.171 0.000 1.182 325 D CA 1.749 55.830 54.000 0.133 0.000 1.033 325 D CB -0.193 40.660 40.800 0.088 0.000 1.642 325 D HN 0.752 nan 8.370 nan 0.000 0.576 326 E N -0.334 119.973 120.200 0.178 0.000 2.330 326 E HA 0.335 4.685 4.350 -0.000 0.000 0.210 326 E C 0.794 177.510 176.600 0.192 0.000 1.256 326 E CA 0.306 56.816 56.400 0.184 0.000 1.346 326 E CB -0.243 29.570 29.700 0.189 0.000 1.308 326 E HN 0.534 nan 8.360 nan 0.000 0.441 327 G N 1.910 110.838 108.800 0.214 0.000 2.175 327 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.265 327 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.265 327 G C -0.044 175.086 174.900 0.384 0.000 0.979 327 G CA 0.497 45.761 45.100 0.274 0.000 0.663 327 G HN 0.469 nan 8.290 nan 0.000 0.533 328 D N -0.376 120.224 120.400 0.333 0.000 2.312 328 D HA 0.521 5.161 4.640 -0.000 0.000 0.252 328 D C -0.431 176.175 176.300 0.510 0.000 1.150 328 D CA -0.299 53.932 54.000 0.385 0.000 0.870 328 D CB 0.094 41.081 40.800 0.312 0.000 1.153 328 D HN 0.172 nan 8.370 nan 0.000 0.457 329 F N 5.386 125.522 119.950 0.310 0.000 2.716 329 F HA 0.261 4.788 4.527 -0.000 0.000 0.354 329 F C -1.999 173.925 175.800 0.206 0.000 1.168 329 F CA -1.128 56.998 58.000 0.210 0.000 1.045 329 F CB 0.476 39.441 39.000 -0.057 0.000 1.311 329 F HN 0.302 nan 8.300 nan 0.000 0.477 330 Y N 5.610 125.692 120.300 -0.363 0.000 2.585 330 Y HA 0.251 4.801 4.550 -0.000 0.000 0.354 330 Y C 0.423 175.799 175.900 -0.874 0.000 1.024 330 Y CA 0.045 57.862 58.100 -0.472 0.000 1.321 330 Y CB 0.252 38.472 38.460 -0.401 0.000 1.151 330 Y HN 0.684 nan 8.280 nan 0.000 0.525 331 E N 4.541 124.141 120.200 -0.999 0.000 2.313 331 E HA 0.301 4.651 4.350 -0.000 0.000 0.276 331 E C -1.319 175.050 176.600 -0.386 0.000 1.031 331 E CA -0.573 55.333 56.400 -0.822 0.000 0.857 331 E CB 0.666 30.054 29.700 -0.520 0.000 1.040 331 E HN 0.602 nan 8.360 nan 0.000 0.408 332 I N 3.633 124.024 120.570 -0.298 0.000 2.412 332 I HA 0.069 4.239 4.170 -0.000 0.000 0.296 332 I C -0.069 175.974 176.117 -0.124 0.000 0.987 332 I CA 0.239 61.458 61.300 -0.135 0.000 1.180 332 I CB 1.537 39.486 38.000 -0.084 0.000 1.340 332 I HN 0.720 nan 8.210 nan 0.000 0.455 333 Q N 2.797 122.560 119.800 -0.062 0.000 2.435 333 Q HA -0.285 4.055 4.340 -0.000 0.000 0.312 333 Q C 1.191 177.204 176.000 0.021 0.000 1.333 333 Q CA 0.982 56.775 55.803 -0.017 0.000 0.883 333 Q CB -0.777 27.968 28.738 0.011 0.000 1.170 333 Q HN 0.795 nan 8.270 nan 0.000 0.443 334 E N 0.794 120.981 120.200 -0.021 0.000 2.051 334 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 334 E C 0.861 177.477 176.600 0.026 0.000 0.991 334 E CA 1.112 57.507 56.400 -0.007 0.000 0.799 334 E CB 0.249 29.931 29.700 -0.030 0.000 0.748 334 E HN 0.374 nan 8.360 nan 0.000 0.449 335 E N -0.291 119.932 120.200 0.038 0.000 2.485 335 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 335 E C -0.494 176.179 176.600 0.121 0.000 1.098 335 E CA 0.186 56.618 56.400 0.054 0.000 0.878 335 E CB -0.191 29.532 29.700 0.039 0.000 0.939 335 E HN 0.180 nan 8.360 nan 0.000 0.503 336 F N 0.120 120.046 119.950 -0.040 0.000 2.588 336 F HA 0.487 5.014 4.527 -0.000 0.000 0.314 336 F C 0.034 175.812 175.800 -0.036 0.000 1.069 336 F CA -0.615 57.364 58.000 -0.035 0.000 0.931 336 F CB 1.402 40.381 39.000 -0.035 0.000 1.260 336 F HN -0.047 nan 8.300 nan 0.000 0.465 337 A N 4.160 126.394 122.820 -0.977 0.000 2.550 337 A HA -0.297 4.023 4.320 -0.000 0.000 0.298 337 A C 1.345 178.786 177.584 -0.238 0.000 1.485 337 A CA 1.344 52.997 52.037 -0.640 0.000 0.780 337 A CB -1.930 16.769 19.000 -0.502 0.000 1.045 337 A HN 0.870 nan 8.150 nan 0.000 0.423 338 K N 0.116 120.404 120.400 -0.188 0.000 2.520 338 K HA -0.210 4.110 4.320 -0.000 0.000 0.197 338 K C 1.455 177.997 176.600 -0.097 0.000 1.044 338 K CA 1.232 57.458 56.287 -0.102 0.000 0.938 338 K CB -0.252 32.199 32.500 -0.081 0.000 0.767 338 K HN 1.004 nan 8.250 nan 0.000 0.481 339 N N 0.658 119.289 118.700 -0.116 0.000 2.461 339 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 339 N C 0.498 175.957 175.510 -0.085 0.000 1.134 339 N CA 0.403 53.394 53.050 -0.099 0.000 0.878 339 N CB 0.164 38.591 38.487 -0.100 0.000 0.972 339 N HN 0.211 nan 8.380 nan 0.000 0.456 340 I N 0.067 120.593 120.570 -0.073 0.000 2.722 340 I HA 0.417 4.587 4.170 -0.000 0.000 0.295 340 I C -1.535 174.554 176.117 -0.046 0.000 1.161 340 I CA -1.061 60.208 61.300 -0.052 0.000 1.032 340 I CB 2.307 40.291 38.000 -0.026 0.000 1.244 340 I HN -0.213 nan 8.210 nan 0.000 0.421 341 I N 5.342 125.882 120.570 -0.050 0.000 2.433 341 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 341 I C -0.473 175.582 176.117 -0.103 0.000 1.001 341 I CA -0.473 60.797 61.300 -0.049 0.000 1.119 341 I CB 2.057 40.033 38.000 -0.040 0.000 1.289 341 I HN 0.514 nan 8.210 nan 0.000 0.438 342 T N 1.651 116.080 114.554 -0.208 0.000 2.848 342 T HA 0.891 5.241 4.350 -0.000 0.000 0.285 342 T C -0.274 174.028 174.700 -0.663 0.000 0.995 342 T CA -0.769 60.950 62.100 -0.634 0.000 0.970 342 T CB 2.003 70.292 68.868 -0.965 0.000 0.976 342 T HN 0.963 nan 8.240 nan 0.000 0.441 343 G N 1.280 109.670 108.800 -0.683 0.000 2.548 343 G HA2 0.616 4.576 3.960 -0.000 0.000 0.301 343 G HA3 0.616 4.576 3.960 -0.000 0.000 0.301 343 G C -2.193 172.632 174.900 -0.125 0.000 1.349 343 G CA -0.892 43.969 45.100 -0.399 0.000 0.792 343 G HN 0.556 nan 8.290 nan 0.000 0.481 344 F N 0.272 120.304 119.950 0.137 0.000 2.546 344 F HA 0.829 5.356 4.527 -0.000 0.000 0.320 344 F C 0.666 176.663 175.800 0.329 0.000 1.076 344 F CA -0.870 57.219 58.000 0.149 0.000 0.928 344 F CB 2.114 40.865 39.000 -0.415 0.000 1.189 344 F HN 0.612 nan 8.300 nan 0.000 0.465 345 I N -1.076 119.915 120.570 0.702 0.000 3.263 345 I HA 0.707 4.877 4.170 -0.000 0.000 0.314 345 I C -1.473 174.938 176.117 0.490 0.000 1.269 345 I CA -1.219 60.462 61.300 0.635 0.000 0.942 345 I CB 2.842 41.086 38.000 0.407 0.000 1.305 345 I HN 0.495 nan 8.210 nan 0.000 0.474 346 R N 1.311 121.963 120.500 0.253 0.000 2.892 346 R HA 0.862 5.202 4.340 -0.000 0.000 0.265 346 R C -1.552 174.729 176.300 -0.030 0.000 1.025 346 R CA -1.031 55.092 56.100 0.039 0.000 0.982 346 R CB 2.470 32.705 30.300 -0.108 0.000 1.185 346 R HN 0.545 nan 8.270 nan 0.000 0.484 347 L N 1.028 122.160 121.223 -0.152 0.000 2.464 347 L HA 0.263 4.603 4.340 -0.000 0.000 0.266 347 L C -0.356 176.254 176.870 -0.433 0.000 0.965 347 L CA -0.395 54.328 54.840 -0.195 0.000 0.833 347 L CB 2.213 44.203 42.059 -0.115 0.000 1.296 347 L HN 0.789 nan 8.230 nan 0.000 0.405 348 E N 2.300 122.030 120.200 -0.784 0.000 2.328 348 E HA -0.266 4.084 4.350 -0.000 0.000 0.233 348 E C 0.985 176.710 176.600 -1.458 0.000 1.219 348 E CA 0.720 56.090 56.400 -1.715 0.000 0.717 348 E CB -0.840 28.435 29.700 -0.709 0.000 1.210 348 E HN 1.122 nan 8.360 nan 0.000 0.381 349 G N -0.029 108.168 108.800 -1.005 0.000 2.203 349 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.263 349 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.263 349 G C 0.124 174.871 174.900 -0.255 0.000 1.012 349 G CA 1.022 45.905 45.100 -0.362 0.000 0.749 349 G HN 0.292 nan 8.290 nan 0.000 0.512 350 R N -0.711 119.631 120.500 -0.263 0.000 2.803 350 R HA 0.651 4.991 4.340 -0.000 0.000 0.276 350 R C 0.035 176.259 176.300 -0.127 0.000 0.978 350 R CA -0.491 55.506 56.100 -0.173 0.000 0.939 350 R CB 1.120 31.327 30.300 -0.155 0.000 1.179 350 R HN 0.087 nan 8.270 nan 0.000 0.472 351 T N 1.542 116.054 114.554 -0.069 0.000 2.851 351 T HA 0.321 4.671 4.350 -0.000 0.000 0.298 351 T C -0.548 174.173 174.700 0.035 0.000 0.977 351 T CA -0.098 62.034 62.100 0.054 0.000 1.126 351 T CB 0.466 69.388 68.868 0.089 0.000 0.916 351 T HN 0.123 nan 8.240 nan 0.000 0.529 352 V N 2.924 122.918 119.914 0.133 0.000 2.577 352 V HA 0.650 4.770 4.120 -0.000 0.000 0.303 352 V C 0.662 176.955 176.094 0.331 0.000 1.042 352 V CA -1.049 61.280 62.300 0.048 0.000 0.872 352 V CB 2.040 33.754 31.823 -0.182 0.000 0.998 352 V HN 1.003 nan 8.190 nan 0.000 0.423 353 G N 1.955 110.968 108.800 0.356 0.000 2.448 353 G HA2 0.589 4.549 3.960 -0.000 0.000 0.285 353 G HA3 0.589 4.549 3.960 -0.000 0.000 0.285 353 G C -0.993 174.161 174.900 0.423 0.000 1.176 353 G CA -0.453 44.944 45.100 0.495 0.000 0.852 353 G HN 0.907 nan 8.290 nan 0.000 0.530 354 V N 1.365 121.566 119.914 0.478 0.000 2.777 354 V HA 0.646 4.766 4.120 -0.000 0.000 0.306 354 V C -1.201 175.004 176.094 0.185 0.000 1.112 354 V CA -0.588 61.885 62.300 0.289 0.000 0.917 354 V CB 2.027 33.947 31.823 0.163 0.000 1.018 354 V HN 0.612 nan 8.190 nan 0.000 0.426 355 V N 5.955 125.987 119.914 0.196 0.000 2.487 355 V HA 0.998 5.118 4.120 -0.000 0.000 0.298 355 V C 0.159 176.305 176.094 0.087 0.000 1.028 355 V CA 0.240 62.622 62.300 0.138 0.000 0.860 355 V CB 1.411 33.404 31.823 0.284 0.000 0.991 355 V HN 1.386 nan 8.190 nan 0.000 0.427 356 A N 3.951 126.779 122.820 0.013 0.000 2.574 356 A HA 0.699 5.019 4.320 -0.000 0.000 0.297 356 A C -0.790 176.768 177.584 -0.043 0.000 1.062 356 A CA -0.835 51.189 52.037 -0.022 0.000 0.686 356 A CB 1.234 20.195 19.000 -0.066 0.000 1.285 356 A HN 0.816 nan 8.150 nan 0.000 0.403 357 N N 0.867 119.537 118.700 -0.050 0.000 2.530 357 N HA 0.398 5.138 4.740 -0.000 0.000 0.273 357 N C -0.359 175.086 175.510 -0.109 0.000 1.173 357 N CA -0.012 52.997 53.050 -0.069 0.000 0.967 357 N CB 0.693 39.146 38.487 -0.058 0.000 1.109 357 N HN 0.583 nan 8.380 nan 0.000 0.453 358 Q N 3.089 122.817 119.800 -0.119 0.000 2.400 358 Q HA 0.339 4.679 4.340 -0.000 0.000 0.255 358 Q C -2.264 173.629 176.000 -0.179 0.000 1.008 358 Q CA -2.231 53.477 55.803 -0.160 0.000 0.841 358 Q CB 1.566 30.234 28.738 -0.117 0.000 1.220 358 Q HN 0.336 nan 8.270 nan 0.000 0.474 359 P HA -0.135 nan 4.420 nan 0.000 0.217 359 P C 0.670 177.879 177.300 -0.152 0.000 1.150 359 P CA 1.097 64.063 63.100 -0.223 0.000 0.832 359 P CB 0.184 31.652 31.700 -0.387 0.000 0.787 360 L N -1.896 119.227 121.223 -0.167 0.000 2.263 360 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 360 L C 0.709 177.534 176.870 -0.075 0.000 1.111 360 L CA 0.869 55.648 54.840 -0.101 0.000 0.773 360 L CB -0.539 41.466 42.059 -0.090 0.000 0.906 360 L HN -0.119 nan 8.230 nan 0.000 0.439 361 V N -0.174 119.689 119.914 -0.084 0.000 2.656 361 V HA 0.219 4.339 4.120 -0.000 0.000 0.307 361 V C 0.763 176.813 176.094 -0.073 0.000 1.051 361 V CA -0.930 61.326 62.300 -0.073 0.000 0.893 361 V CB 2.113 33.889 31.823 -0.079 0.000 0.999 361 V HN 0.141 nan 8.190 nan 0.000 0.426 362 L N 3.524 124.710 121.223 -0.062 0.000 4.107 362 L HA -0.337 4.003 4.340 -0.000 0.000 0.437 362 L C 1.212 178.051 176.870 -0.052 0.000 1.128 362 L CA 0.698 55.505 54.840 -0.056 0.000 0.980 362 L CB -1.477 40.544 42.059 -0.063 0.000 1.878 362 L HN 1.291 nan 8.230 nan 0.000 1.047 363 A N -1.373 121.415 122.820 -0.053 0.000 2.822 363 A HA 0.013 4.333 4.320 -0.000 0.000 0.287 363 A C 1.562 179.114 177.584 -0.053 0.000 1.479 363 A CA 1.250 53.259 52.037 -0.046 0.000 0.779 363 A CB -1.889 17.093 19.000 -0.030 0.000 1.022 363 A HN 2.141 nan 8.150 nan 0.000 0.532 364 G N -2.773 105.982 108.800 -0.074 0.000 2.258 364 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.274 364 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.274 364 G C 0.730 175.579 174.900 -0.084 0.000 1.021 364 G CA 0.759 45.811 45.100 -0.080 0.000 0.798 364 G HN 1.757 nan 8.290 nan 0.000 0.507 365 C N -0.479 118.771 119.300 -0.083 0.000 2.700 365 C HA 0.546 5.006 4.460 -0.000 0.000 0.397 365 C C 1.313 176.218 174.990 -0.142 0.000 1.301 365 C CA -0.377 58.579 59.018 -0.103 0.000 2.219 365 C CB 0.259 27.962 27.740 -0.061 0.000 2.699 365 C HN 0.502 nan 8.230 nan 0.000 0.669 366 L N 3.619 124.689 121.223 -0.256 0.000 2.322 366 L HA 0.518 4.858 4.340 -0.000 0.000 0.279 366 L C -0.083 176.771 176.870 -0.027 0.000 1.036 366 L CA 0.167 54.837 54.840 -0.284 0.000 0.807 366 L CB 1.077 42.628 42.059 -0.846 0.000 1.226 366 L HN 0.801 nan 8.230 nan 0.000 0.433 367 D N 2.438 122.895 120.400 0.095 0.000 2.615 367 D HA 0.205 4.845 4.640 -0.000 0.000 0.267 367 D C 1.001 177.398 176.300 0.162 0.000 1.236 367 D CA -0.680 53.420 54.000 0.166 0.000 0.839 367 D CB 1.338 42.169 40.800 0.051 0.000 1.380 367 D HN 0.338 nan 8.370 nan 0.000 0.433 368 I N 0.349 121.004 120.570 0.141 0.000 2.093 368 I HA -0.384 3.786 4.170 -0.000 0.000 0.239 368 I C 1.692 177.848 176.117 0.065 0.000 1.026 368 I CA 2.009 63.375 61.300 0.110 0.000 1.295 368 I CB -0.351 37.657 38.000 0.014 0.000 1.007 368 I HN 0.435 nan 8.210 nan 0.000 0.401 369 D N 0.513 120.923 120.400 0.016 0.000 2.097 369 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 369 D C 2.381 178.724 176.300 0.072 0.000 0.989 369 D CA 1.922 55.952 54.000 0.049 0.000 0.827 369 D CB -0.386 40.316 40.800 -0.163 0.000 0.966 369 D HN 0.435 nan 8.370 nan 0.000 0.456 370 S N -0.100 115.593 115.700 -0.012 0.000 2.383 370 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 370 S C 2.188 176.847 174.600 0.099 0.000 1.030 370 S CA 1.497 59.706 58.200 0.015 0.000 1.002 370 S CB -0.453 62.733 63.200 -0.023 0.000 0.829 370 S HN 0.034 nan 8.310 nan 0.000 0.467 371 S N 2.037 117.817 115.700 0.133 0.000 2.348 371 S HA -0.020 4.450 4.470 -0.000 0.000 0.221 371 S C 2.139 176.842 174.600 0.171 0.000 1.033 371 S CA 1.220 59.528 58.200 0.181 0.000 1.010 371 S CB -0.335 63.011 63.200 0.244 0.000 0.891 371 S HN 0.580 nan 8.310 nan 0.000 0.442 372 R N 1.152 121.753 120.500 0.168 0.000 2.091 372 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 372 R C 2.474 178.859 176.300 0.141 0.000 1.136 372 R CA 1.359 57.547 56.100 0.147 0.000 0.959 372 R CB -0.280 30.091 30.300 0.119 0.000 0.856 372 R HN 0.344 nan 8.270 nan 0.000 0.437 373 K N 0.725 121.245 120.400 0.199 0.000 2.026 373 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 373 K C 2.036 178.716 176.600 0.133 0.000 1.048 373 K CA 1.600 57.998 56.287 0.185 0.000 0.929 373 K CB -0.079 32.602 32.500 0.301 0.000 0.713 373 K HN 0.177 nan 8.250 nan 0.000 0.439 374 A N 0.935 123.835 122.820 0.133 0.000 1.898 374 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 374 A C 2.327 180.000 177.584 0.148 0.000 1.183 374 A CA 1.403 53.528 52.037 0.146 0.000 0.622 374 A CB -0.719 18.367 19.000 0.143 0.000 0.824 374 A HN 0.468 nan 8.150 nan 0.000 0.444 375 A N 0.117 123.008 122.820 0.118 0.000 1.884 375 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 375 A C 2.271 179.895 177.584 0.067 0.000 1.197 375 A CA 2.205 54.291 52.037 0.081 0.000 0.637 375 A CB -0.589 18.475 19.000 0.107 0.000 0.827 375 A HN 0.543 nan 8.150 nan 0.000 0.450 376 R N -2.131 118.418 120.500 0.081 0.000 2.066 376 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 376 R C 2.002 178.365 176.300 0.105 0.000 1.131 376 R CA 1.587 57.724 56.100 0.062 0.000 0.955 376 R CB -0.469 29.841 30.300 0.017 0.000 0.851 376 R HN 0.505 nan 8.270 nan 0.000 0.432 377 F N 0.889 120.836 119.950 -0.006 0.000 2.063 377 F HA -0.302 4.225 4.527 -0.000 0.000 0.298 377 F C 1.951 177.803 175.800 0.087 0.000 1.109 377 F CA 1.827 59.842 58.000 0.025 0.000 1.212 377 F CB -0.613 38.373 39.000 -0.024 0.000 0.973 377 F HN -0.180 nan 8.300 nan 0.000 0.480 378 V N 1.221 121.136 119.914 0.001 0.000 2.255 378 V HA -0.343 3.777 4.120 -0.000 0.000 0.247 378 V C 2.637 178.662 176.094 -0.115 0.000 1.051 378 V CA 2.361 64.565 62.300 -0.159 0.000 1.018 378 V CB -0.741 30.866 31.823 -0.360 0.000 0.641 378 V HN 0.296 nan 8.190 nan 0.000 0.445 379 R N -0.831 119.644 120.500 -0.042 0.000 2.091 379 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 379 R C 2.248 178.568 176.300 0.032 0.000 1.136 379 R CA 2.144 58.242 56.100 -0.002 0.000 0.959 379 R CB -0.884 29.434 30.300 0.030 0.000 0.856 379 R HN 0.598 nan 8.270 nan 0.000 0.437 380 F N 1.075 120.983 119.950 -0.070 0.000 2.134 380 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 380 F C 2.315 178.182 175.800 0.113 0.000 1.097 380 F CA 1.229 59.249 58.000 0.033 0.000 1.264 380 F CB -0.395 38.577 39.000 -0.046 0.000 1.001 380 F HN -0.064 nan 8.300 nan 0.000 0.479 381 C N 0.450 119.748 119.300 -0.003 0.000 2.425 381 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 381 C C 2.495 177.432 174.990 -0.087 0.000 1.280 381 C CA 1.558 60.532 59.018 -0.072 0.000 1.744 381 C CB -1.294 26.367 27.740 -0.132 0.000 1.989 381 C HN 0.642 nan 8.230 nan 0.000 0.491 382 D N 0.662 121.009 120.400 -0.088 0.000 2.103 382 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 382 D C 2.188 178.404 176.300 -0.139 0.000 0.978 382 D CA 1.379 55.332 54.000 -0.078 0.000 0.829 382 D CB -0.212 40.551 40.800 -0.061 0.000 0.981 382 D HN 0.323 nan 8.370 nan 0.000 0.464 383 A N -0.717 121.978 122.820 -0.208 0.000 2.084 383 A HA -0.110 4.210 4.320 -0.000 0.000 0.221 383 A C 1.187 178.398 177.584 -0.621 0.000 1.161 383 A CA 0.978 52.782 52.037 -0.389 0.000 0.653 383 A CB -0.686 18.049 19.000 -0.440 0.000 0.802 383 A HN 0.361 nan 8.150 nan 0.000 0.457 384 F N -0.432 119.324 119.950 -0.323 0.000 2.855 384 F HA 0.274 4.801 4.527 -0.000 0.000 0.317 384 F C 0.415 176.101 175.800 -0.189 0.000 1.169 384 F CA -0.362 57.455 58.000 -0.305 0.000 1.299 384 F CB 0.452 39.132 39.000 -0.533 0.000 0.962 384 F HN 0.117 nan 8.300 nan 0.000 0.506 385 E N 0.256 120.443 120.200 -0.022 0.000 2.805 385 E HA -0.259 4.091 4.350 -0.000 0.000 0.266 385 E C 0.009 176.620 176.600 0.019 0.000 1.092 385 E CA 0.638 57.040 56.400 0.003 0.000 0.781 385 E CB -1.672 28.034 29.700 0.011 0.000 1.379 385 E HN 0.452 nan 8.360 nan 0.000 0.433 386 I N 1.365 121.948 120.570 0.020 0.000 2.371 386 I HA 0.149 4.319 4.170 -0.000 0.000 0.290 386 I C -1.874 174.273 176.117 0.049 0.000 1.028 386 I CA -1.909 59.414 61.300 0.038 0.000 1.345 386 I CB 0.850 38.904 38.000 0.091 0.000 1.407 386 I HN -0.237 nan 8.210 nan 0.000 0.501 387 P HA 0.247 nan 4.420 nan 0.000 0.273 387 P C -0.972 176.397 177.300 0.115 0.000 1.250 387 P CA -0.234 62.909 63.100 0.072 0.000 0.793 387 P CB 0.639 32.289 31.700 -0.084 0.000 1.011 388 L N 0.702 122.100 121.223 0.293 0.000 2.362 388 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 388 L C -0.699 176.483 176.870 0.520 0.000 1.002 388 L CA -0.924 54.115 54.840 0.332 0.000 0.818 388 L CB 1.719 43.959 42.059 0.301 0.000 1.298 388 L HN 0.192 nan 8.230 nan 0.000 0.420 389 L N 2.117 123.597 121.223 0.429 0.000 2.349 389 L HA 0.620 4.960 4.340 -0.000 0.000 0.278 389 L C -0.683 176.350 176.870 0.271 0.000 0.996 389 L CA 0.247 55.336 54.840 0.416 0.000 0.825 389 L CB 1.996 44.290 42.059 0.393 0.000 1.243 389 L HN 0.523 nan 8.230 nan 0.000 0.412 390 T N 6.115 120.792 114.554 0.204 0.000 2.770 390 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 390 T C -0.287 174.439 174.700 0.044 0.000 0.988 390 T CA -0.334 61.852 62.100 0.144 0.000 0.957 390 T CB 0.884 69.823 68.868 0.118 0.000 0.930 390 T HN 0.440 nan 8.240 nan 0.000 0.443 391 L N 4.298 125.525 121.223 0.007 0.000 2.272 391 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 391 L C -0.326 176.505 176.870 -0.066 0.000 1.032 391 L CA -0.805 53.993 54.840 -0.069 0.000 0.810 391 L CB 0.934 42.937 42.059 -0.094 0.000 1.205 391 L HN 0.515 nan 8.230 nan 0.000 0.422 392 I N 3.219 123.738 120.570 -0.086 0.000 2.460 392 I HA 0.364 4.534 4.170 -0.000 0.000 0.298 392 I C -0.411 175.693 176.117 -0.021 0.000 0.989 392 I CA -0.014 61.257 61.300 -0.049 0.000 1.173 392 I CB 1.801 39.781 38.000 -0.033 0.000 1.338 392 I HN 0.540 nan 8.210 nan 0.000 0.456 393 D N 4.778 125.188 120.400 0.017 0.000 3.937 393 D HA 0.074 4.714 4.640 -0.000 0.000 0.250 393 D C -1.600 174.733 176.300 0.054 0.000 1.434 393 D CA -0.009 54.035 54.000 0.074 0.000 0.834 393 D CB 0.759 41.646 40.800 0.145 0.000 1.395 393 D HN 0.196 nan 8.370 nan 0.000 0.778 394 V N 2.261 122.205 119.914 0.051 0.000 2.483 394 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 394 V C -1.762 174.386 176.094 0.090 0.000 1.035 394 V CA -1.905 60.405 62.300 0.017 0.000 0.896 394 V CB 2.262 34.050 31.823 -0.059 0.000 0.986 394 V HN 0.058 nan 8.190 nan 0.000 0.447 395 P HA 0.322 nan 4.420 nan 0.000 0.224 395 P C 0.552 177.880 177.300 0.047 0.000 1.159 395 P CA 1.438 64.567 63.100 0.050 0.000 0.824 395 P CB 0.801 32.488 31.700 -0.021 0.000 0.833 396 G N -1.090 107.706 108.800 -0.006 0.000 2.404 396 G HA2 0.260 4.220 3.960 -0.000 0.000 0.253 396 G HA3 0.260 4.220 3.960 -0.000 0.000 0.253 396 G C -1.740 173.088 174.900 -0.120 0.000 1.253 396 G CA -0.776 44.332 45.100 0.013 0.000 0.917 396 G HN -0.018 nan 8.290 nan 0.000 0.480 397 F N -0.170 119.799 119.950 0.033 0.000 2.440 397 F HA 0.678 5.205 4.527 -0.000 0.000 0.328 397 F C 0.550 176.352 175.800 0.004 0.000 1.070 397 F CA -0.645 57.368 58.000 0.022 0.000 1.011 397 F CB 1.722 40.737 39.000 0.026 0.000 1.226 397 F HN 0.355 nan 8.300 nan 0.000 0.491 398 L N 5.165 126.491 121.223 0.172 0.000 2.385 398 L HA 0.364 4.704 4.340 -0.000 0.000 0.281 398 L C -2.416 174.499 176.870 0.074 0.000 1.106 398 L CA -1.704 53.184 54.840 0.081 0.000 0.856 398 L CB -0.431 41.656 42.059 0.045 0.000 1.186 398 L HN 0.264 nan 8.230 nan 0.000 0.453 399 P HA 0.546 nan 4.420 nan 0.000 0.270 399 P C -0.554 176.733 177.300 -0.021 0.000 1.223 399 P CA -0.213 62.893 63.100 0.010 0.000 0.785 399 P CB 0.829 32.529 31.700 0.001 0.000 0.923 400 G N -0.660 108.108 108.800 -0.053 0.000 2.318 400 G HA2 0.060 4.020 3.960 -0.000 0.000 0.302 400 G HA3 0.060 4.020 3.960 -0.000 0.000 0.302 400 G C 0.374 175.167 174.900 -0.178 0.000 1.633 400 G CA -0.184 44.860 45.100 -0.093 0.000 0.965 400 G HN 0.417 nan 8.290 nan 0.000 0.698 401 T N 0.293 114.690 114.554 -0.263 0.000 2.821 401 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 401 T C 2.753 177.123 174.700 -0.550 0.000 1.046 401 T CA 3.011 64.765 62.100 -0.576 0.000 1.139 401 T CB -0.242 68.289 68.868 -0.561 0.000 0.871 401 T HN 1.263 nan 8.240 nan 0.000 0.454 402 S N 0.110 115.664 115.700 -0.243 0.000 2.383 402 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 402 S C 2.116 176.685 174.600 -0.051 0.000 1.030 402 S CA 1.287 59.429 58.200 -0.097 0.000 1.002 402 S CB -0.366 62.804 63.200 -0.050 0.000 0.829 402 S HN 0.471 nan 8.310 nan 0.000 0.467 403 Q N 0.525 120.286 119.800 -0.066 0.000 2.020 403 Q HA -0.012 4.328 4.340 -0.000 0.000 0.198 403 Q C 2.373 178.375 176.000 0.004 0.000 0.974 403 Q CA 1.243 57.040 55.803 -0.009 0.000 0.829 403 Q CB -0.602 28.136 28.738 -0.001 0.000 0.894 403 Q HN 0.602 nan 8.270 nan 0.000 0.433 404 E N 0.206 120.371 120.200 -0.058 0.000 2.058 404 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 404 E C 1.966 178.661 176.600 0.158 0.000 0.997 404 E CA 1.039 57.441 56.400 0.002 0.000 0.801 404 E CB -0.277 29.393 29.700 -0.049 0.000 0.746 404 E HN 0.408 nan 8.360 nan 0.000 0.450 405 Y N 0.199 120.509 120.300 0.016 0.000 2.439 405 Y HA 0.054 4.604 4.550 -0.000 0.000 0.292 405 Y C 2.389 178.309 175.900 0.033 0.000 1.130 405 Y CA 0.733 58.843 58.100 0.017 0.000 1.254 405 Y CB -0.973 37.496 38.460 0.014 0.000 1.000 405 Y HN 0.041 nan 8.280 nan 0.000 0.554 406 G N -0.956 107.960 108.800 0.193 0.000 2.920 406 G HA2 0.260 4.220 3.960 -0.000 0.000 0.208 406 G HA3 0.260 4.220 3.960 -0.000 0.000 0.208 406 G C 1.223 176.253 174.900 0.216 0.000 1.159 406 G CA 0.371 45.569 45.100 0.164 0.000 0.784 406 G HN 0.536 nan 8.290 nan 0.000 0.535 407 G N -0.301 108.596 108.800 0.162 0.000 2.248 407 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.252 407 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.252 407 G C 0.940 175.903 174.900 0.104 0.000 1.085 407 G CA 0.346 45.505 45.100 0.099 0.000 0.845 407 G HN 0.958 nan 8.290 nan 0.000 0.494 408 V N -0.978 118.992 119.914 0.093 0.000 2.594 408 V HA -0.131 3.989 4.120 -0.000 0.000 0.253 408 V C 2.769 178.833 176.094 -0.050 0.000 1.069 408 V CA 1.690 64.025 62.300 0.059 0.000 1.082 408 V CB -0.731 31.082 31.823 -0.017 0.000 0.680 408 V HN 0.609 nan 8.190 nan 0.000 0.469 409 I N -0.160 120.367 120.570 -0.071 0.000 2.194 409 I HA -0.215 3.955 4.170 -0.000 0.000 0.246 409 I C 2.738 178.794 176.117 -0.101 0.000 1.093 409 I CA 1.774 63.014 61.300 -0.099 0.000 1.355 409 I CB -0.528 37.429 38.000 -0.072 0.000 1.046 409 I HN 0.359 nan 8.210 nan 0.000 0.413 410 K N -0.221 120.092 120.400 -0.145 0.000 2.063 410 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 410 K C 2.119 178.607 176.600 -0.187 0.000 1.039 410 K CA 0.879 57.042 56.287 -0.207 0.000 0.957 410 K CB -0.566 31.733 32.500 -0.334 0.000 0.764 410 K HN 0.367 nan 8.250 nan 0.000 0.447 411 H N 0.416 119.495 119.070 0.015 0.000 2.319 411 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 411 H C 2.224 177.598 175.328 0.076 0.000 1.092 411 H CA 1.617 57.691 56.048 0.044 0.000 1.302 411 H CB -0.661 29.136 29.762 0.058 0.000 1.373 411 H HN 0.374 nan 8.280 nan 0.000 0.497 412 G N 0.787 109.684 108.800 0.162 0.000 2.469 412 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 412 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 412 G C 2.026 177.024 174.900 0.164 0.000 1.150 412 G CA 1.565 46.764 45.100 0.165 0.000 0.763 412 G HN 0.544 nan 8.290 nan 0.000 0.561 413 A N 0.703 123.569 122.820 0.078 0.000 1.972 413 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 413 A C 2.270 179.956 177.584 0.170 0.000 1.169 413 A CA 2.009 54.109 52.037 0.106 0.000 0.635 413 A CB -0.369 18.666 19.000 0.058 0.000 0.810 413 A HN 0.420 nan 8.150 nan 0.000 0.446 414 K N -0.910 119.575 120.400 0.142 0.000 2.034 414 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 414 K C 1.885 178.608 176.600 0.204 0.000 1.051 414 K CA 1.715 58.090 56.287 0.147 0.000 0.931 414 K CB -0.478 32.090 32.500 0.113 0.000 0.715 414 K HN 0.412 nan 8.250 nan 0.000 0.446 415 L N 1.171 122.523 121.223 0.214 0.000 2.046 415 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 415 L C 2.111 179.164 176.870 0.305 0.000 1.077 415 L CA 1.226 56.205 54.840 0.232 0.000 0.747 415 L CB -0.466 41.756 42.059 0.272 0.000 0.896 415 L HN 0.150 nan 8.230 nan 0.000 0.432 416 L N -1.326 120.067 121.223 0.283 0.000 2.012 416 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 416 L C 2.375 179.366 176.870 0.201 0.000 1.073 416 L CA 2.062 57.046 54.840 0.240 0.000 0.748 416 L CB -1.145 41.019 42.059 0.175 0.000 0.891 416 L HN 0.423 nan 8.230 nan 0.000 0.431 417 Y N 0.159 120.515 120.300 0.094 0.000 2.128 417 Y HA -0.306 4.244 4.550 -0.000 0.000 0.284 417 Y C 2.427 178.356 175.900 0.047 0.000 1.154 417 Y CA 2.260 60.392 58.100 0.054 0.000 1.149 417 Y CB -0.492 37.986 38.460 0.030 0.000 0.976 417 Y HN 0.330 nan 8.280 nan 0.000 0.505 418 A N -0.590 122.374 122.820 0.240 0.000 1.883 418 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 418 A C 1.970 179.542 177.584 -0.020 0.000 1.186 418 A CA 1.997 54.083 52.037 0.082 0.000 0.624 418 A CB -1.469 17.515 19.000 -0.027 0.000 0.822 418 A HN 0.637 nan 8.150 nan 0.000 0.444 419 Y N 0.093 120.415 120.300 0.036 0.000 2.293 419 Y HA 0.005 4.555 4.550 -0.000 0.000 0.291 419 Y C 2.726 178.596 175.900 -0.050 0.000 1.137 419 Y CA 0.736 58.838 58.100 0.003 0.000 1.202 419 Y CB -0.748 37.716 38.460 0.006 0.000 0.990 419 Y HN 0.333 nan 8.280 nan 0.000 0.537 420 G N -0.432 108.402 108.800 0.057 0.000 2.408 420 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 420 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 420 G C 1.563 176.383 174.900 -0.133 0.000 1.150 420 G CA 0.995 46.051 45.100 -0.074 0.000 0.776 420 G HN 0.475 nan 8.290 nan 0.000 0.542 421 E N 0.710 120.797 120.200 -0.189 0.000 2.051 421 E HA 0.225 4.575 4.350 -0.000 0.000 0.189 421 E C 1.642 178.204 176.600 -0.062 0.000 0.979 421 E CA 0.321 56.624 56.400 -0.162 0.000 0.803 421 E CB -0.233 29.371 29.700 -0.160 0.000 0.761 421 E HN 0.280 nan 8.360 nan 0.000 0.451 422 A N 0.679 123.483 122.820 -0.028 0.000 2.587 422 A HA -0.002 4.318 4.320 -0.000 0.000 0.235 422 A C 0.804 178.396 177.584 0.014 0.000 1.044 422 A CA 1.037 53.072 52.037 -0.003 0.000 0.754 422 A CB 0.041 19.049 19.000 0.014 0.000 0.968 422 A HN 0.472 nan 8.150 nan 0.000 0.509 423 T N -0.484 114.077 114.554 0.012 0.000 3.058 423 T HA 0.349 4.699 4.350 -0.000 0.000 0.278 423 T C 0.570 175.295 174.700 0.042 0.000 0.974 423 T CA 0.414 62.527 62.100 0.021 0.000 0.893 423 T CB -1.349 67.522 68.868 0.005 0.000 1.138 423 T HN 1.385 nan 8.240 nan 0.000 0.529 424 V N -0.611 119.334 119.914 0.052 0.000 3.766 424 V HA 0.501 4.621 4.120 -0.000 0.000 0.286 424 V C -2.867 173.304 176.094 0.129 0.000 1.055 424 V CA -2.037 60.310 62.300 0.079 0.000 1.060 424 V CB -0.410 31.457 31.823 0.075 0.000 1.210 424 V HN -0.023 nan 8.190 nan 0.000 0.457 425 P HA 0.412 nan 4.420 nan 0.000 0.276 425 P C -0.689 176.795 177.300 0.307 0.000 1.235 425 P CA 0.176 63.420 63.100 0.240 0.000 0.772 425 P CB 0.459 32.357 31.700 0.330 0.000 0.871 426 M N 2.735 122.453 119.600 0.196 0.000 2.085 426 M HA 0.345 4.825 4.480 -0.000 0.000 0.309 426 M C -1.017 175.320 176.300 0.062 0.000 0.947 426 M CA -0.762 54.651 55.300 0.189 0.000 0.918 426 M CB 1.755 34.457 32.600 0.171 0.000 1.504 426 M HN -0.038 nan 8.290 nan 0.000 0.420 427 V N 2.327 122.225 119.914 -0.028 0.000 2.483 427 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 427 V C 0.070 176.187 176.094 0.037 0.000 1.035 427 V CA -0.303 61.910 62.300 -0.145 0.000 0.896 427 V CB 2.054 33.490 31.823 -0.645 0.000 0.986 427 V HN 0.831 nan 8.190 nan 0.000 0.447 428 T N 3.416 117.999 114.554 0.048 0.000 2.900 428 T HA 0.690 5.040 4.350 -0.000 0.000 0.295 428 T C -0.919 173.838 174.700 0.095 0.000 1.044 428 T CA -0.459 61.669 62.100 0.048 0.000 0.995 428 T CB 1.934 70.789 68.868 -0.021 0.000 1.072 428 T HN 0.388 nan 8.240 nan 0.000 0.473 429 V N 3.573 123.498 119.914 0.019 0.000 2.524 429 V HA 0.461 4.581 4.120 -0.000 0.000 0.297 429 V C -0.486 175.495 176.094 -0.189 0.000 1.035 429 V CA -0.801 61.464 62.300 -0.059 0.000 0.867 429 V CB 1.525 33.245 31.823 -0.172 0.000 1.004 429 V HN 0.812 nan 8.190 nan 0.000 0.426 430 I N 4.419 124.902 120.570 -0.145 0.000 2.312 430 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 430 I C 1.657 177.624 176.117 -0.250 0.000 1.031 430 I CA -0.024 61.197 61.300 -0.132 0.000 1.293 430 I CB 1.853 39.839 38.000 -0.023 0.000 1.403 430 I HN 0.850 nan 8.210 nan 0.000 0.484 431 T N 3.003 117.367 114.554 -0.316 0.000 2.937 431 T HA 0.039 4.389 4.350 -0.000 0.000 0.260 431 T C 1.413 176.153 174.700 0.066 0.000 1.051 431 T CA 0.554 62.455 62.100 -0.333 0.000 1.141 431 T CB 0.390 68.980 68.868 -0.464 0.000 0.879 431 T HN 0.683 nan 8.240 nan 0.000 0.459 432 R N 0.494 121.036 120.500 0.071 0.000 4.185 432 R HA 0.333 4.673 4.340 -0.000 0.000 0.103 432 R C -0.767 175.603 176.300 0.116 0.000 1.154 432 R CA -0.518 55.656 56.100 0.124 0.000 0.855 432 R CB 0.371 30.776 30.300 0.174 0.000 0.964 432 R HN 0.023 nan 8.270 nan 0.000 0.384 433 K N 1.112 121.614 120.400 0.170 0.000 2.339 433 K HA 0.394 4.714 4.320 -0.000 0.000 0.286 433 K C -1.061 175.635 176.600 0.160 0.000 1.050 433 K CA 0.285 56.715 56.287 0.239 0.000 0.956 433 K CB 1.682 34.374 32.500 0.320 0.000 0.990 433 K HN 0.428 nan 8.250 nan 0.000 0.475 434 A N 4.467 127.312 122.820 0.040 0.000 3.266 434 A HA 0.291 4.611 4.320 -0.000 0.000 0.310 434 A C -1.492 176.081 177.584 -0.019 0.000 1.066 434 A CA -0.623 51.457 52.037 0.072 0.000 0.839 434 A CB 0.080 19.127 19.000 0.079 0.000 1.192 434 A HN 0.619 nan 8.150 nan 0.000 0.496 435 Y N 0.468 120.837 120.300 0.114 0.000 2.361 435 Y HA 0.539 5.089 4.550 -0.000 0.000 0.332 435 Y C 1.484 177.476 175.900 0.155 0.000 1.101 435 Y CA 0.676 58.839 58.100 0.105 0.000 1.137 435 Y CB 1.408 39.913 38.460 0.076 0.000 1.207 435 Y HN 0.996 nan 8.280 nan 0.000 0.463 436 G N 1.670 110.647 108.800 0.293 0.000 2.578 436 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.313 436 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.313 436 G C 1.373 176.442 174.900 0.281 0.000 1.324 436 G CA 0.372 45.625 45.100 0.255 0.000 0.955 436 G HN 1.220 nan 8.290 nan 0.000 0.541 437 G N -0.220 108.728 108.800 0.246 0.000 2.624 437 G HA2 0.019 3.979 3.960 -0.000 0.000 0.221 437 G HA3 0.019 3.979 3.960 -0.000 0.000 0.221 437 G C 2.261 177.333 174.900 0.286 0.000 1.169 437 G CA 3.626 48.885 45.100 0.264 0.000 0.771 437 G HN 2.019 nan 8.290 nan 0.000 0.598 438 A N 0.224 123.212 122.820 0.279 0.000 1.892 438 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 438 A C 2.228 179.828 177.584 0.027 0.000 1.188 438 A CA 2.173 54.222 52.037 0.020 0.000 0.631 438 A CB -0.945 17.946 19.000 -0.182 0.000 0.822 438 A HN 0.770 nan 8.150 nan 0.000 0.447 439 Y N 1.025 121.345 120.300 0.034 0.000 2.102 439 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 439 Y C 2.172 178.076 175.900 0.005 0.000 1.178 439 Y CA 2.156 60.263 58.100 0.011 0.000 1.146 439 Y CB -0.802 37.672 38.460 0.023 0.000 0.968 439 Y HN 0.064 nan 8.280 nan 0.000 0.504 440 V N -0.518 119.122 119.914 -0.456 0.000 2.261 440 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 440 V C 2.513 178.420 176.094 -0.312 0.000 1.047 440 V CA 1.798 63.809 62.300 -0.481 0.000 1.015 440 V CB -1.135 30.608 31.823 -0.133 0.000 0.642 440 V HN 0.391 nan 8.190 nan 0.000 0.446 441 V N -0.574 119.266 119.914 -0.122 0.000 2.287 441 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 441 V C 1.639 177.598 176.094 -0.226 0.000 1.053 441 V CA 1.258 63.530 62.300 -0.047 0.000 1.027 441 V CB -0.585 31.319 31.823 0.135 0.000 0.646 441 V HN 0.458 nan 8.190 nan 0.000 0.447 442 M N 1.051 120.484 119.600 -0.278 0.000 3.300 442 M HA 0.063 4.543 4.480 -0.000 0.000 0.237 442 M C 1.081 177.007 176.300 -0.623 0.000 1.613 442 M CA 0.602 55.659 55.300 -0.404 0.000 1.690 442 M CB -1.476 30.995 32.600 -0.216 0.000 1.288 442 M HN 0.473 nan 8.290 nan 0.000 0.520 443 S N 1.481 116.507 115.700 -1.124 0.000 3.410 443 S HA -0.132 4.338 4.470 -0.000 0.000 0.369 443 S C 0.694 175.030 174.600 -0.438 0.000 0.961 443 S CA 0.495 58.181 58.200 -0.858 0.000 1.248 443 S CB -0.619 62.156 63.200 -0.709 0.000 0.914 443 S HN 0.877 nan 8.310 nan 0.000 0.497 444 S N 0.510 115.950 115.700 -0.434 0.000 2.606 444 S HA 0.318 4.788 4.470 -0.000 0.000 0.257 444 S C 0.901 175.277 174.600 -0.374 0.000 1.327 444 S CA 0.158 58.099 58.200 -0.431 0.000 0.984 444 S CB 0.829 63.702 63.200 -0.544 0.000 0.941 444 S HN 0.645 nan 8.310 nan 0.000 0.576 445 K N -0.324 119.763 120.400 -0.522 0.000 2.439 445 K HA -0.041 4.279 4.320 -0.000 0.000 0.197 445 K C 1.353 177.582 176.600 -0.619 0.000 1.041 445 K CA 0.900 56.856 56.287 -0.551 0.000 0.970 445 K CB -0.241 31.933 32.500 -0.543 0.000 0.773 445 K HN 0.728 nan 8.250 nan 0.000 0.479 446 H N -0.195 118.715 119.070 -0.267 0.000 2.551 446 H HA 0.020 4.576 4.556 -0.000 0.000 0.266 446 H C 1.088 176.318 175.328 -0.163 0.000 0.977 446 H CA 0.624 56.534 56.048 -0.229 0.000 1.163 446 H CB 0.329 29.937 29.762 -0.256 0.000 1.381 446 H HN 0.205 nan 8.280 nan 0.000 0.581 447 L N 0.980 122.135 121.223 -0.113 0.000 2.700 447 L HA 0.141 4.481 4.340 -0.000 0.000 0.234 447 L C 0.255 177.086 176.870 -0.065 0.000 1.156 447 L CA -0.019 54.778 54.840 -0.072 0.000 0.946 447 L CB 0.245 42.262 42.059 -0.070 0.000 1.216 447 L HN 0.122 nan 8.230 nan 0.000 0.493 448 R N -1.349 119.090 120.500 -0.102 0.000 3.532 448 R HA -0.148 4.192 4.340 -0.000 0.000 0.284 448 R C 0.327 176.586 176.300 -0.069 0.000 1.140 448 R CA 0.646 56.693 56.100 -0.089 0.000 0.768 448 R CB -2.549 27.718 30.300 -0.056 0.000 1.252 448 R HN 0.273 nan 8.270 nan 0.000 0.454 449 A N 0.723 123.489 122.820 -0.091 0.000 2.386 449 A HA 0.233 4.553 4.320 -0.000 0.000 0.246 449 A C 1.266 178.811 177.584 -0.066 0.000 1.089 449 A CA 0.219 52.225 52.037 -0.050 0.000 0.790 449 A CB 0.360 19.312 19.000 -0.080 0.000 1.042 449 A HN 0.265 nan 8.150 nan 0.000 0.497 450 D N -0.307 120.092 120.400 -0.002 0.000 2.146 450 D HA 0.069 4.709 4.640 -0.000 0.000 0.209 450 D C -0.416 175.789 176.300 -0.157 0.000 0.973 450 D CA 1.416 55.408 54.000 -0.015 0.000 0.860 450 D CB -0.062 40.850 40.800 0.187 0.000 1.015 450 D HN 0.437 nan 8.370 nan 0.000 0.465 451 F N 0.983 120.776 119.950 -0.262 0.000 2.444 451 F HA 0.339 4.866 4.527 -0.000 0.000 0.342 451 F C -0.154 175.416 175.800 -0.383 0.000 1.121 451 F CA -0.866 56.884 58.000 -0.416 0.000 0.997 451 F CB 1.102 39.746 39.000 -0.592 0.000 1.130 451 F HN -0.338 nan 8.300 nan 0.000 0.454 452 N N 3.257 121.808 118.700 -0.248 0.000 2.898 452 N HA 0.243 4.983 4.740 -0.000 0.000 0.245 452 N C -1.246 174.209 175.510 -0.092 0.000 1.185 452 N CA -0.464 52.507 53.050 -0.131 0.000 0.879 452 N CB 0.448 38.877 38.487 -0.097 0.000 1.157 452 N HN 0.477 nan 8.380 nan 0.000 0.503 453 Y N 0.959 121.292 120.300 0.055 0.000 2.300 453 Y HA 0.576 5.126 4.550 -0.000 0.000 0.328 453 Y C 0.694 176.606 175.900 0.019 0.000 1.270 453 Y CA -0.770 57.365 58.100 0.058 0.000 1.352 453 Y CB 1.061 39.563 38.460 0.070 0.000 1.286 453 Y HN 0.287 nan 8.280 nan 0.000 0.536 454 A N 1.847 124.818 122.820 0.252 0.000 2.488 454 A HA 0.494 4.814 4.320 -0.000 0.000 0.298 454 A C -1.885 175.849 177.584 0.250 0.000 1.044 454 A CA -0.765 51.352 52.037 0.132 0.000 0.693 454 A CB 0.658 19.675 19.000 0.028 0.000 1.272 454 A HN 0.654 nan 8.150 nan 0.000 0.402 455 W N 2.396 123.690 121.300 -0.011 0.000 2.237 455 W HA 0.422 5.082 4.660 -0.000 0.000 0.335 455 W C -1.551 174.935 176.519 -0.054 0.000 1.230 455 W CA -1.762 55.567 57.345 -0.026 0.000 1.253 455 W CB 0.319 29.763 29.460 -0.026 0.000 1.129 455 W HN 0.561 nan 8.180 nan 0.000 0.590 456 P HA -0.153 nan 4.420 nan 0.000 0.219 456 P C 1.109 178.458 177.300 0.083 0.000 1.146 456 P CA 2.155 65.301 63.100 0.077 0.000 0.808 456 P CB -0.236 31.520 31.700 0.093 0.000 0.779 457 T N -3.172 111.459 114.554 0.128 0.000 3.160 457 T HA 0.330 4.680 4.350 -0.000 0.000 0.257 457 T C 1.014 175.779 174.700 0.108 0.000 1.147 457 T CA -0.077 62.093 62.100 0.117 0.000 1.064 457 T CB -0.684 68.259 68.868 0.125 0.000 0.949 457 T HN 0.104 nan 8.240 nan 0.000 0.526 458 A N 1.603 124.471 122.820 0.080 0.000 2.386 458 A HA 0.486 4.806 4.320 -0.000 0.000 0.248 458 A C 0.155 177.723 177.584 -0.028 0.000 1.082 458 A CA -0.587 51.464 52.037 0.022 0.000 0.789 458 A CB 0.248 19.238 19.000 -0.016 0.000 1.025 458 A HN 0.610 nan 8.150 nan 0.000 0.490 459 E N 0.797 120.955 120.200 -0.069 0.000 2.528 459 E HA 0.380 4.730 4.350 -0.000 0.000 0.277 459 E C -1.163 175.196 176.600 -0.400 0.000 0.980 459 E CA -0.557 55.752 56.400 -0.151 0.000 0.796 459 E CB 1.511 31.188 29.700 -0.038 0.000 1.427 459 E HN 0.595 nan 8.360 nan 0.000 0.394 460 V N -0.037 119.663 119.914 -0.356 0.000 2.370 460 V HA 0.982 5.102 4.120 -0.000 0.000 0.283 460 V C -0.216 175.617 176.094 -0.434 0.000 1.023 460 V CA -0.268 61.740 62.300 -0.486 0.000 0.857 460 V CB 0.957 32.499 31.823 -0.467 0.000 0.985 460 V HN 0.703 nan 8.190 nan 0.000 0.443 461 A N 3.714 126.240 122.820 -0.490 0.000 2.597 461 A HA 0.661 4.981 4.320 -0.000 0.000 0.292 461 A C 0.473 178.068 177.584 0.018 0.000 1.057 461 A CA -0.042 51.893 52.037 -0.169 0.000 0.674 461 A CB 1.183 20.198 19.000 0.026 0.000 1.278 461 A HN 1.620 nan 8.150 nan 0.000 0.416 462 V N -0.138 119.821 119.914 0.076 0.000 2.313 462 V HA -0.145 3.975 4.120 -0.000 0.000 0.253 462 V C 1.091 177.294 176.094 0.182 0.000 1.070 462 V CA 2.792 65.155 62.300 0.106 0.000 1.057 462 V CB -1.793 30.067 31.823 0.061 0.000 0.653 462 V HN 1.410 nan 8.190 nan 0.000 0.450 463 M N -2.219 117.543 119.600 0.270 0.000 3.196 463 M HA 0.610 5.090 4.480 -0.000 0.000 0.279 463 M C -0.160 176.295 176.300 0.258 0.000 1.173 463 M CA -0.257 55.192 55.300 0.248 0.000 0.820 463 M CB 1.162 33.797 32.600 0.058 0.000 1.621 463 M HN 0.086 nan 8.290 nan 0.000 0.521 464 G N 0.287 109.050 108.800 -0.060 0.000 2.630 464 G HA2 0.422 4.382 3.960 -0.000 0.000 0.236 464 G HA3 0.422 4.382 3.960 -0.000 0.000 0.236 464 G C 0.837 175.733 174.900 -0.005 0.000 1.248 464 G CA 0.049 45.093 45.100 -0.094 0.000 0.844 464 G HN 1.113 nan 8.290 nan 0.000 0.588 465 A N 1.307 124.200 122.820 0.123 0.000 1.917 465 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 465 A C 2.503 180.053 177.584 -0.057 0.000 1.182 465 A CA 1.924 54.024 52.037 0.105 0.000 0.633 465 A CB -0.333 18.840 19.000 0.288 0.000 0.819 465 A HN 0.560 nan 8.150 nan 0.000 0.448 466 K N -0.860 119.526 120.400 -0.022 0.000 1.965 466 K HA -0.135 4.184 4.320 -0.000 0.000 0.218 466 K C 2.244 178.802 176.600 -0.070 0.000 1.048 466 K CA 1.528 57.798 56.287 -0.029 0.000 0.960 466 K CB -1.394 31.093 32.500 -0.021 0.000 0.732 466 K HN 0.438 nan 8.250 nan 0.000 0.444 467 G N 1.191 109.942 108.800 -0.082 0.000 2.505 467 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 467 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 467 G C 1.712 176.535 174.900 -0.129 0.000 1.145 467 G CA 1.908 46.958 45.100 -0.084 0.000 0.761 467 G HN 0.435 nan 8.290 nan 0.000 0.571 468 A N 0.363 123.040 122.820 -0.238 0.000 1.873 468 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 468 A C 2.565 179.981 177.584 -0.281 0.000 1.193 468 A CA 2.818 54.615 52.037 -0.400 0.000 0.629 468 A CB -1.240 17.132 19.000 -1.048 0.000 0.826 468 A HN 0.342 nan 8.150 nan 0.000 0.447 469 T N 0.326 114.748 114.554 -0.220 0.000 2.684 469 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 469 T C 1.665 176.397 174.700 0.053 0.000 1.036 469 T CA 1.699 63.802 62.100 0.004 0.000 1.148 469 T CB -0.433 68.468 68.868 0.055 0.000 0.863 469 T HN 0.700 nan 8.240 nan 0.000 0.436 470 E N 0.554 120.758 120.200 0.007 0.000 2.204 470 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 470 E C 2.071 178.674 176.600 0.005 0.000 0.990 470 E CA 0.845 57.257 56.400 0.020 0.000 0.821 470 E CB -0.317 29.385 29.700 0.002 0.000 0.750 470 E HN 0.542 nan 8.360 nan 0.000 0.477 471 I N 0.643 121.197 120.570 -0.027 0.000 2.296 471 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 471 I C 2.350 178.432 176.117 -0.058 0.000 1.087 471 I CA 0.689 61.965 61.300 -0.040 0.000 1.393 471 I CB -0.126 37.842 38.000 -0.054 0.000 1.093 471 I HN 0.032 nan 8.210 nan 0.000 0.421 472 I N 0.084 120.610 120.570 -0.073 0.000 2.361 472 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 472 I C 0.374 176.275 176.117 -0.360 0.000 1.133 472 I CA 1.379 62.574 61.300 -0.176 0.000 1.413 472 I CB -0.418 37.506 38.000 -0.126 0.000 1.073 472 I HN 0.281 nan 8.210 nan 0.000 0.424 473 H N 0.236 119.249 119.070 -0.095 0.000 2.645 473 H HA 0.320 4.876 4.556 -0.000 0.000 0.257 473 H C 0.665 175.970 175.328 -0.038 0.000 1.269 473 H CA -0.498 55.483 56.048 -0.111 0.000 1.409 473 H CB 0.566 30.171 29.762 -0.263 0.000 1.434 473 H HN -0.110 nan 8.280 nan 0.000 0.505 474 R N 1.704 122.228 120.500 0.039 0.000 2.056 474 R HA 0.056 4.396 4.340 -0.000 0.000 0.227 474 R C 1.098 177.434 176.300 0.060 0.000 1.149 474 R CA 0.846 56.969 56.100 0.040 0.000 0.937 474 R CB -0.620 29.686 30.300 0.010 0.000 0.835 474 R HN 0.612 nan 8.270 nan 0.000 0.430 475 G N 2.913 111.746 108.800 0.054 0.000 2.563 475 G HA2 0.224 4.184 3.960 -0.000 0.000 0.295 475 G HA3 0.224 4.184 3.960 -0.000 0.000 0.295 475 G C -1.647 173.314 174.900 0.101 0.000 0.874 475 G CA -0.610 44.528 45.100 0.062 0.000 1.642 475 G HN 0.249 nan 8.290 nan 0.000 0.483 476 P HA 0.161 nan 4.420 nan 0.000 0.261 476 P C 1.296 178.583 177.300 -0.021 0.000 1.268 476 P CA 0.422 63.520 63.100 -0.004 0.000 0.833 476 P CB 0.886 32.585 31.700 -0.001 0.000 1.231 477 E N -0.825 119.353 120.200 -0.037 0.000 2.372 477 E HA 0.033 4.383 4.350 -0.000 0.000 0.201 477 E C 1.504 178.033 176.600 -0.119 0.000 0.938 477 E CA 0.214 56.578 56.400 -0.060 0.000 0.944 477 E CB 0.310 29.980 29.700 -0.051 0.000 0.937 477 E HN 0.106 nan 8.360 nan 0.000 0.495 478 K N 1.090 121.408 120.400 -0.137 0.000 1.984 478 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 478 K C 2.305 178.690 176.600 -0.358 0.000 1.046 478 K CA 1.063 57.163 56.287 -0.312 0.000 0.934 478 K CB -0.399 32.013 32.500 -0.147 0.000 0.717 478 K HN 0.160 nan 8.250 nan 0.000 0.438 479 I N -0.631 119.904 120.570 -0.058 0.000 2.454 479 I HA -0.072 4.098 4.170 -0.000 0.000 0.254 479 I C 2.096 178.217 176.117 0.006 0.000 1.156 479 I CA 1.332 62.664 61.300 0.054 0.000 1.433 479 I CB -0.901 37.146 38.000 0.080 0.000 1.082 479 I HN -0.057 nan 8.210 nan 0.000 0.432 480 A N 0.031 122.829 122.820 -0.037 0.000 2.014 480 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 480 A C 2.305 179.868 177.584 -0.034 0.000 1.163 480 A CA 1.607 53.631 52.037 -0.022 0.000 0.652 480 A CB -0.543 18.441 19.000 -0.027 0.000 0.808 480 A HN 0.513 nan 8.150 nan 0.000 0.449 481 Q N -0.798 118.939 119.800 -0.104 0.000 2.297 481 Q HA 0.018 4.358 4.340 -0.000 0.000 0.203 481 Q C 1.560 177.516 176.000 -0.072 0.000 0.931 481 Q CA 1.497 57.231 55.803 -0.114 0.000 0.885 481 Q CB -0.484 28.138 28.738 -0.193 0.000 0.991 481 Q HN 0.829 nan 8.270 nan 0.000 0.498 482 H N -1.464 117.565 119.070 -0.070 0.000 2.387 482 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 482 H C 1.540 176.887 175.328 0.030 0.000 1.090 482 H CA 1.561 57.542 56.048 -0.111 0.000 1.332 482 H CB 0.417 29.989 29.762 -0.318 0.000 1.386 482 H HN 0.218 nan 8.280 nan 0.000 0.516 483 T N 0.221 114.869 114.554 0.157 0.000 2.701 483 T HA -0.125 4.225 4.350 -0.000 0.000 0.263 483 T C 2.345 177.145 174.700 0.166 0.000 1.040 483 T CA 0.990 63.185 62.100 0.158 0.000 1.147 483 T CB -0.456 68.469 68.868 0.094 0.000 0.865 483 T HN 0.461 nan 8.240 nan 0.000 0.426 484 A N 1.841 124.721 122.820 0.100 0.000 2.084 484 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 484 A C 2.003 179.638 177.584 0.085 0.000 1.161 484 A CA 1.726 53.810 52.037 0.078 0.000 0.653 484 A CB -0.489 18.531 19.000 0.035 0.000 0.802 484 A HN 0.433 nan 8.150 nan 0.000 0.457 485 D N -2.277 118.191 120.400 0.112 0.000 2.201 485 D HA -0.048 4.592 4.640 -0.000 0.000 0.209 485 D C 1.663 178.023 176.300 0.101 0.000 0.961 485 D CA 0.945 54.995 54.000 0.083 0.000 0.861 485 D CB -0.360 40.499 40.800 0.098 0.000 0.997 485 D HN 0.554 nan 8.370 nan 0.000 0.486 486 Y N 2.034 122.424 120.300 0.149 0.000 2.181 486 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 486 Y C 2.405 178.435 175.900 0.216 0.000 1.146 486 Y CA 1.734 60.008 58.100 0.291 0.000 1.164 486 Y CB 0.116 38.763 38.460 0.311 0.000 0.982 486 Y HN -0.161 nan 8.280 nan 0.000 0.515 487 E N 0.557 120.955 120.200 0.330 0.000 2.023 487 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 487 E C 1.922 178.582 176.600 0.100 0.000 1.003 487 E CA 1.962 58.500 56.400 0.229 0.000 0.809 487 E CB -0.260 29.543 29.700 0.172 0.000 0.755 487 E HN 0.370 nan 8.360 nan 0.000 0.449 488 E N -0.506 119.716 120.200 0.035 0.000 2.338 488 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 488 E C 1.871 178.393 176.600 -0.131 0.000 1.007 488 E CA 0.821 57.204 56.400 -0.029 0.000 0.849 488 E CB -0.052 29.630 29.700 -0.030 0.000 0.774 488 E HN 0.166 nan 8.360 nan 0.000 0.506 489 R N -1.664 118.667 120.500 -0.281 0.000 2.279 489 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 489 R C 0.638 176.425 176.300 -0.855 0.000 0.905 489 R CA 0.385 56.115 56.100 -0.616 0.000 1.044 489 R CB 0.293 30.064 30.300 -0.881 0.000 1.056 489 R HN 0.097 nan 8.270 nan 0.000 0.535 490 F N -0.600 119.243 119.950 -0.180 0.000 2.778 490 F HA 0.455 4.982 4.527 -0.000 0.000 0.314 490 F C 0.602 176.370 175.800 -0.052 0.000 1.073 490 F CA -0.440 57.443 58.000 -0.194 0.000 1.218 490 F CB 0.452 39.148 39.000 -0.506 0.000 1.037 490 F HN -0.088 nan 8.300 nan 0.000 0.594 491 A N 2.848 125.776 122.820 0.179 0.000 2.915 491 A HA 0.514 4.834 4.320 -0.000 0.000 0.292 491 A C 0.003 177.640 177.584 0.087 0.000 1.632 491 A CA 0.027 52.163 52.037 0.164 0.000 1.337 491 A CB -1.267 17.886 19.000 0.255 0.000 1.111 491 A HN 0.472 nan 8.150 nan 0.000 0.569 492 N N 1.375 120.090 118.700 0.026 0.000 3.413 492 N HA 0.255 4.995 4.740 -0.000 0.000 0.273 492 N C -3.287 172.157 175.510 -0.110 0.000 1.458 492 N CA -0.796 52.256 53.050 0.003 0.000 0.860 492 N CB 0.802 39.359 38.487 0.118 0.000 1.556 492 N HN 0.049 nan 8.380 nan 0.000 0.475 493 P HA 0.282 nan 4.420 nan 0.000 0.272 493 P C 0.670 177.722 177.300 -0.414 0.000 1.276 493 P CA 0.195 63.074 63.100 -0.368 0.000 0.871 493 P CB 0.077 31.507 31.700 -0.450 0.000 1.313 494 F N 0.280 120.221 119.950 -0.015 0.000 2.259 494 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 494 F C 2.539 178.311 175.800 -0.047 0.000 1.088 494 F CA 0.894 58.878 58.000 -0.028 0.000 1.358 494 F CB -1.464 37.516 39.000 -0.032 0.000 1.040 494 F HN -0.200 nan 8.300 nan 0.000 0.505 495 V N 0.141 120.108 119.914 0.088 0.000 2.427 495 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 495 V C 2.310 178.364 176.094 -0.067 0.000 1.051 495 V CA 1.875 64.196 62.300 0.036 0.000 1.048 495 V CB -0.616 31.266 31.823 0.099 0.000 0.666 495 V HN 0.240 nan 8.190 nan 0.000 0.456 496 A N -0.657 122.112 122.820 -0.084 0.000 2.015 496 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 496 A C 2.403 179.910 177.584 -0.128 0.000 1.163 496 A CA 2.044 54.007 52.037 -0.124 0.000 0.646 496 A CB -0.631 18.344 19.000 -0.043 0.000 0.806 496 A HN 0.611 nan 8.150 nan 0.000 0.448 497 S N -0.206 115.454 115.700 -0.067 0.000 2.371 497 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 497 S C 1.738 176.315 174.600 -0.038 0.000 1.029 497 S CA 1.219 59.406 58.200 -0.021 0.000 0.978 497 S CB -0.282 62.948 63.200 0.051 0.000 0.833 497 S HN 0.707 nan 8.310 nan 0.000 0.466 498 E N 0.737 120.916 120.200 -0.036 0.000 2.171 498 E HA -0.116 4.234 4.350 -0.000 0.000 0.197 498 E C 1.975 178.491 176.600 -0.140 0.000 0.997 498 E CA 0.653 57.019 56.400 -0.056 0.000 0.810 498 E CB 0.005 29.678 29.700 -0.044 0.000 0.738 498 E HN 0.109 nan 8.360 nan 0.000 0.467 499 R N -0.887 119.438 120.500 -0.291 0.000 2.240 499 R HA 0.027 4.367 4.340 -0.000 0.000 0.203 499 R C 1.486 177.579 176.300 -0.344 0.000 1.011 499 R CA 0.876 56.665 56.100 -0.518 0.000 1.007 499 R CB 0.417 29.963 30.300 -1.256 0.000 0.911 499 R HN 0.371 nan 8.270 nan 0.000 0.468 500 G N -0.051 108.665 108.800 -0.140 0.000 2.195 500 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.246 500 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.246 500 G C 0.982 176.029 174.900 0.245 0.000 0.984 500 G CA 0.172 45.303 45.100 0.051 0.000 0.633 500 G HN 0.412 nan 8.290 nan 0.000 0.525 501 F N 0.104 120.043 119.950 -0.017 0.000 2.269 501 F HA 0.128 4.655 4.527 -0.000 0.000 0.301 501 F C 1.235 177.004 175.800 -0.051 0.000 1.082 501 F CA 0.716 58.698 58.000 -0.030 0.000 1.360 501 F CB 0.160 39.206 39.000 0.075 0.000 1.041 501 F HN 0.078 nan 8.300 nan 0.000 0.512 502 V N 1.287 121.289 119.914 0.147 0.000 2.350 502 V HA 0.037 4.157 4.120 -0.000 0.000 0.285 502 V C 0.320 176.416 176.094 0.004 0.000 1.014 502 V CA -0.754 61.576 62.300 0.050 0.000 0.831 502 V CB 1.361 33.199 31.823 0.024 0.000 1.000 502 V HN 0.131 nan 8.190 nan 0.000 0.433 503 D N 3.355 123.715 120.400 -0.066 0.000 2.221 503 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 503 D C 0.682 176.973 176.300 -0.016 0.000 0.982 503 D CA 1.253 55.190 54.000 -0.105 0.000 0.857 503 D CB 0.778 41.411 40.800 -0.278 0.000 0.934 503 D HN 0.703 nan 8.370 nan 0.000 0.475 504 E N -0.934 119.301 120.200 0.057 0.000 2.389 504 E HA 0.205 4.555 4.350 -0.000 0.000 0.281 504 E C -2.052 174.673 176.600 0.208 0.000 1.072 504 E CA -0.487 56.009 56.400 0.159 0.000 0.845 504 E CB 1.394 31.244 29.700 0.249 0.000 1.239 504 E HN -0.268 nan 8.360 nan 0.000 0.434 505 V N 4.676 124.685 119.914 0.158 0.000 2.370 505 V HA 0.569 4.689 4.120 -0.000 0.000 0.283 505 V C 0.263 176.454 176.094 0.161 0.000 1.023 505 V CA -0.462 61.911 62.300 0.122 0.000 0.857 505 V CB 0.662 32.484 31.823 -0.001 0.000 0.985 505 V HN 0.638 nan 8.190 nan 0.000 0.443 506 I N 1.600 122.275 120.570 0.176 0.000 3.023 506 I HA 0.723 4.893 4.170 -0.000 0.000 0.312 506 I C -0.506 175.629 176.117 0.031 0.000 1.056 506 I CA -1.247 60.116 61.300 0.105 0.000 1.033 506 I CB 1.962 39.991 38.000 0.049 0.000 1.233 506 I HN 0.378 nan 8.210 nan 0.000 0.462 507 Q N 3.208 122.983 119.800 -0.042 0.000 2.295 507 Q HA 0.334 4.674 4.340 -0.000 0.000 0.259 507 Q C -2.031 173.805 176.000 -0.273 0.000 0.976 507 Q CA -1.710 54.006 55.803 -0.145 0.000 0.923 507 Q CB 1.431 30.112 28.738 -0.095 0.000 1.185 507 Q HN 0.381 nan 8.270 nan 0.000 0.410 508 P HA -0.313 nan 4.420 nan 0.000 0.217 508 P C 0.572 177.661 177.300 -0.351 0.000 1.158 508 P CA 1.784 64.293 63.100 -0.985 0.000 0.887 508 P CB 0.062 30.814 31.700 -1.580 0.000 0.792 509 R N -0.018 120.329 120.500 -0.254 0.000 2.159 509 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 509 R C 1.801 178.074 176.300 -0.044 0.000 1.131 509 R CA 2.273 58.304 56.100 -0.114 0.000 0.982 509 R CB -1.712 28.530 30.300 -0.098 0.000 0.868 509 R HN 0.286 nan 8.270 nan 0.000 0.453 510 S N -0.322 115.349 115.700 -0.049 0.000 2.593 510 S HA 0.032 4.502 4.470 -0.000 0.000 0.217 510 S C 1.422 176.015 174.600 -0.013 0.000 0.966 510 S CA 0.402 58.589 58.200 -0.022 0.000 0.914 510 S CB 0.129 63.310 63.200 -0.032 0.000 0.776 510 S HN 0.291 nan 8.310 nan 0.000 0.523 511 T N 3.100 117.681 114.554 0.044 0.000 2.592 511 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 511 T C 1.798 176.508 174.700 0.018 0.000 1.060 511 T CA 2.237 64.374 62.100 0.062 0.000 1.167 511 T CB -0.480 68.547 68.868 0.266 0.000 0.863 511 T HN 0.649 nan 8.240 nan 0.000 0.431 512 R N 1.441 121.978 120.500 0.061 0.000 2.096 512 R HA -0.114 4.226 4.340 -0.000 0.000 0.240 512 R C 2.291 178.615 176.300 0.040 0.000 1.139 512 R CA 2.102 58.240 56.100 0.064 0.000 0.952 512 R CB -0.338 30.008 30.300 0.077 0.000 0.854 512 R HN 0.394 nan 8.270 nan 0.000 0.436 513 K N -0.570 119.843 120.400 0.022 0.000 2.025 513 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 513 K C 2.070 178.662 176.600 -0.013 0.000 1.049 513 K CA 1.165 57.462 56.287 0.016 0.000 0.933 513 K CB -0.017 32.492 32.500 0.017 0.000 0.714 513 K HN 0.062 nan 8.250 nan 0.000 0.438 514 R N 0.626 121.078 120.500 -0.080 0.000 2.080 514 R HA -0.095 4.245 4.340 -0.000 0.000 0.236 514 R C 2.353 178.585 176.300 -0.113 0.000 1.137 514 R CA 1.050 57.052 56.100 -0.163 0.000 0.943 514 R CB -1.188 28.776 30.300 -0.559 0.000 0.846 514 R HN 0.130 nan 8.270 nan 0.000 0.431 515 V N 1.218 121.066 119.914 -0.109 0.000 2.343 515 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 515 V C 2.468 178.590 176.094 0.046 0.000 1.051 515 V CA 1.821 64.105 62.300 -0.027 0.000 1.036 515 V CB -0.849 31.018 31.823 0.074 0.000 0.654 515 V HN 0.363 nan 8.190 nan 0.000 0.451 516 A N 1.220 124.089 122.820 0.082 0.000 1.865 516 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 516 A C 2.363 179.989 177.584 0.070 0.000 1.191 516 A CA 2.209 54.313 52.037 0.111 0.000 0.623 516 A CB -0.566 18.472 19.000 0.064 0.000 0.826 516 A HN 0.677 nan 8.150 nan 0.000 0.444 517 R N -0.572 119.938 120.500 0.016 0.000 2.193 517 R HA 0.206 4.546 4.340 -0.000 0.000 0.213 517 R C 2.066 178.313 176.300 -0.088 0.000 1.055 517 R CA 1.250 57.353 56.100 0.004 0.000 0.995 517 R CB -0.519 29.799 30.300 0.029 0.000 0.893 517 R HN 0.308 nan 8.270 nan 0.000 0.459 518 A N 1.272 123.931 122.820 -0.268 0.000 1.877 518 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 518 A C 1.916 179.150 177.584 -0.582 0.000 1.186 518 A CA 1.166 52.711 52.037 -0.820 0.000 0.620 518 A CB -0.742 17.457 19.000 -1.336 0.000 0.822 518 A HN 0.394 nan 8.150 nan 0.000 0.443 519 F N -0.030 119.775 119.950 -0.242 0.000 2.146 519 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 519 F C 2.846 178.610 175.800 -0.061 0.000 1.096 519 F CA 0.824 58.755 58.000 -0.114 0.000 1.275 519 F CB -0.284 38.678 39.000 -0.063 0.000 1.008 519 F HN 0.277 nan 8.300 nan 0.000 0.480 520 A N 0.111 123.012 122.820 0.136 0.000 1.903 520 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 520 A C 2.258 179.889 177.584 0.078 0.000 1.191 520 A CA 2.468 54.556 52.037 0.085 0.000 0.638 520 A CB -1.388 17.647 19.000 0.058 0.000 0.823 520 A HN 0.424 nan 8.150 nan 0.000 0.451 521 S N -0.975 114.763 115.700 0.064 0.000 2.547 521 S HA 0.105 4.575 4.470 -0.000 0.000 0.235 521 S C 1.248 175.916 174.600 0.114 0.000 0.980 521 S CA 1.151 59.406 58.200 0.091 0.000 0.941 521 S CB -0.386 62.890 63.200 0.126 0.000 0.763 521 S HN 0.424 nan 8.310 nan 0.000 0.532 522 L N 0.085 121.379 121.223 0.117 0.000 2.728 522 L HA 0.384 4.724 4.340 -0.000 0.000 0.238 522 L C 2.270 179.215 176.870 0.124 0.000 1.143 522 L CA -0.239 54.684 54.840 0.137 0.000 0.937 522 L CB 0.014 42.170 42.059 0.162 0.000 1.225 522 L HN 0.159 nan 8.230 nan 0.000 0.507 523 R N 0.119 120.683 120.500 0.105 0.000 2.200 523 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 523 R C 1.388 177.728 176.300 0.066 0.000 1.127 523 R CA 1.182 57.332 56.100 0.082 0.000 0.989 523 R CB -0.197 30.141 30.300 0.062 0.000 0.869 523 R HN 0.273 nan 8.270 nan 0.000 0.459 524 N N 0.705 119.445 118.700 0.066 0.000 2.254 524 N HA -0.015 4.725 4.740 -0.000 0.000 0.190 524 N C -0.238 175.304 175.510 0.053 0.000 1.107 524 N CA -0.030 53.052 53.050 0.053 0.000 0.869 524 N CB 0.323 38.838 38.487 0.047 0.000 0.983 524 N HN -0.037 nan 8.380 nan 0.000 0.487 525 K N 0.537 120.977 120.400 0.067 0.000 2.569 525 K HA -0.062 4.258 4.320 -0.000 0.000 0.280 525 K C -0.867 175.761 176.600 0.047 0.000 0.984 525 K CA 0.664 56.988 56.287 0.063 0.000 1.064 525 K CB 0.086 32.635 32.500 0.082 0.000 0.866 525 K HN -0.033 nan 8.250 nan 0.000 0.492 526 S N 3.442 119.165 115.700 0.037 0.000 2.668 526 S HA 0.459 4.928 4.470 -0.000 0.000 0.277 526 S C -1.648 172.965 174.600 0.022 0.000 1.170 526 S CA -0.818 57.398 58.200 0.028 0.000 0.994 526 S CB 1.216 64.431 63.200 0.024 0.000 1.051 526 S HN 0.356 nan 8.310 nan 0.000 0.484 527 V N 4.874 124.799 119.914 0.019 0.000 2.789 527 V HA 0.613 4.733 4.120 -0.000 0.000 0.311 527 V C -1.258 174.842 176.094 0.010 0.000 1.073 527 V CA -0.859 61.449 62.300 0.013 0.000 0.921 527 V CB 2.284 34.114 31.823 0.012 0.000 1.009 527 V HN 0.783 nan 8.190 nan 0.000 0.426 528 Q N 3.883 123.689 119.800 0.010 0.000 2.322 528 Q HA 0.602 4.942 4.340 -0.000 0.000 0.265 528 Q C -0.700 175.304 176.000 0.007 0.000 0.985 528 Q CA -0.565 55.246 55.803 0.014 0.000 0.849 528 Q CB 1.917 30.669 28.738 0.023 0.000 1.274 528 Q HN 0.536 nan 8.270 nan 0.000 0.449 529 M N 2.366 121.967 119.600 0.003 0.000 2.342 529 M HA 0.429 4.909 4.480 -0.000 0.000 0.332 529 M C -1.892 174.412 176.300 0.006 0.000 1.166 529 M CA -1.842 53.450 55.300 -0.013 0.000 1.086 529 M CB 0.184 32.763 32.600 -0.035 0.000 1.541 529 M HN 0.279 nan 8.290 nan 0.000 0.462 530 P HA -0.054 nan 4.420 nan 0.000 0.267 530 P C -0.992 176.324 177.300 0.028 0.000 1.201 530 P CA -0.069 63.048 63.100 0.028 0.000 0.775 530 P CB 0.346 32.046 31.700 -0.001 0.000 0.854 531 W N 4.090 125.380 121.300 -0.017 0.000 2.190 531 W HA 0.328 4.988 4.660 -0.000 0.000 0.330 531 W C 0.003 176.508 176.519 -0.023 0.000 1.299 531 W CA 0.301 57.636 57.345 -0.018 0.000 1.215 531 W CB 0.474 29.924 29.460 -0.017 0.000 1.147 531 W HN 0.372 nan 8.180 nan 0.000 0.563 532 K N 3.596 122.859 120.400 -1.895 0.000 2.610 532 K HA 0.266 4.586 4.320 -0.000 0.000 0.278 532 K C -0.063 175.629 176.600 -1.514 0.000 0.964 532 K CA -0.939 54.322 56.287 -1.710 0.000 0.859 532 K CB 1.536 33.607 32.500 -0.715 0.000 1.434 532 K HN 0.416 nan 8.250 nan 0.000 0.410 533 K N 0.127 119.906 120.400 -1.034 0.000 2.002 533 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 533 K C 0.239 176.699 176.600 -0.235 0.000 1.048 533 K CA 2.297 58.349 56.287 -0.392 0.000 0.930 533 K CB -0.316 32.041 32.500 -0.239 0.000 0.714 533 K HN 0.823 nan 8.250 nan 0.000 0.438 534 H N -2.243 116.678 119.070 -0.247 0.000 2.932 534 H HA 0.205 4.761 4.556 -0.000 0.000 0.307 534 H C -1.469 173.780 175.328 -0.132 0.000 1.391 534 H CA -1.419 54.533 56.048 -0.161 0.000 1.130 534 H CB 0.385 30.086 29.762 -0.101 0.000 1.836 534 H HN -0.002 nan 8.280 nan 0.000 0.522 535 D N -0.892 119.598 120.400 0.149 0.000 2.414 535 D HA 0.129 4.769 4.640 -0.000 0.000 0.251 535 D C 0.025 176.410 176.300 0.142 0.000 1.252 535 D CA -0.700 53.378 54.000 0.131 0.000 0.999 535 D CB 0.637 41.560 40.800 0.205 0.000 1.093 535 D HN 0.752 nan 8.370 nan 0.000 0.515 536 N N -0.736 117.990 118.700 0.043 0.000 2.305 536 N HA 0.094 4.834 4.740 -0.000 0.000 0.248 536 N C -0.205 175.183 175.510 -0.203 0.000 1.290 536 N CA -0.426 52.605 53.050 -0.032 0.000 0.873 536 N CB 0.441 38.923 38.487 -0.008 0.000 1.261 536 N HN 0.478 nan 8.380 nan 0.000 0.504 537 I N 2.230 122.485 120.570 -0.526 0.000 3.087 537 I HA -0.079 4.091 4.170 -0.000 0.000 0.318 537 I C -2.027 173.839 176.117 -0.418 0.000 1.209 537 I CA -0.702 60.025 61.300 -0.956 0.000 1.460 537 I CB 0.737 38.011 38.000 -1.210 0.000 1.306 537 I HN 0.112 nan 8.210 nan 0.000 0.560 538 P HA 0.139 nan 4.420 nan 0.000 0.268 538 P C -0.768 176.433 177.300 -0.164 0.000 1.208 538 P CA 0.143 63.134 63.100 -0.182 0.000 0.777 538 P CB 0.551 32.165 31.700 -0.143 0.000 0.875 539 L N 0.000 121.143 121.223 -0.133 0.000 2.949 539 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 539 L CA 0.000 54.787 54.840 -0.088 0.000 0.813 539 L CB 0.000 42.012 42.059 -0.079 0.000 0.961 539 L HN 0.000 nan 8.230 nan 0.000 0.502