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_J 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 0.000 176.877 176.870 0.011 0.000 1.165 36 L CA 0.000 54.846 54.840 0.010 0.000 0.813 36 L CB 0.000 42.063 42.059 0.007 0.000 0.961 37 E N 1.464 121.667 120.200 0.007 0.000 2.511 37 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 37 E C 1.081 177.683 176.600 0.002 0.000 1.066 37 E CA 0.457 56.861 56.400 0.007 0.000 0.871 37 E CB 0.314 30.017 29.700 0.004 0.000 0.863 37 E HN 0.557 nan 8.360 nan 0.000 0.520 38 Q N -0.061 119.737 119.800 -0.003 0.000 2.123 38 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 38 Q C 2.153 178.142 176.000 -0.018 0.000 0.966 38 Q CA 0.590 56.383 55.803 -0.017 0.000 0.845 38 Q CB -0.118 28.607 28.738 -0.022 0.000 0.907 38 Q HN 0.178 nan 8.270 nan 0.000 0.439 39 L N 1.692 122.917 121.223 0.004 0.000 1.989 39 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 39 L C 2.000 178.899 176.870 0.048 0.000 1.071 39 L CA 1.913 56.773 54.840 0.033 0.000 0.749 39 L CB -0.538 41.558 42.059 0.062 0.000 0.890 39 L HN 0.064 nan 8.230 nan 0.000 0.431 40 E N 0.095 120.319 120.200 0.039 0.000 2.171 40 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 40 E C 1.897 178.516 176.600 0.033 0.000 0.997 40 E CA 1.371 57.796 56.400 0.041 0.000 0.810 40 E CB -0.452 29.264 29.700 0.027 0.000 0.738 40 E HN 0.629 nan 8.360 nan 0.000 0.467 41 D N 0.124 120.529 120.400 0.009 0.000 2.085 41 D HA -0.075 4.565 4.640 -0.000 0.000 0.199 41 D C 2.076 178.365 176.300 -0.019 0.000 0.981 41 D CA 0.672 54.668 54.000 -0.006 0.000 0.834 41 D CB -0.336 40.450 40.800 -0.023 0.000 0.992 41 D HN 0.061 nan 8.370 nan 0.000 0.457 42 R N 0.351 120.811 120.500 -0.067 0.000 2.113 42 R HA -0.170 4.170 4.340 -0.000 0.000 0.244 42 R C 2.341 178.628 176.300 -0.022 0.000 1.142 42 R CA 1.495 57.491 56.100 -0.172 0.000 0.953 42 R CB 0.004 30.064 30.300 -0.400 0.000 0.860 42 R HN -0.025 nan 8.270 nan 0.000 0.438 43 R N -0.196 120.382 120.500 0.131 0.000 2.103 43 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 43 R C 2.188 178.578 176.300 0.149 0.000 1.132 43 R CA 2.069 58.322 56.100 0.255 0.000 0.925 43 R CB -0.792 29.621 30.300 0.188 0.000 0.842 43 R HN 0.336 nan 8.270 nan 0.000 0.430 44 A N 0.186 123.057 122.820 0.084 0.000 1.948 44 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 44 A C 2.299 179.913 177.584 0.050 0.000 1.177 44 A CA 2.060 54.131 52.037 0.057 0.000 0.636 44 A CB -1.041 17.980 19.000 0.036 0.000 0.815 44 A HN 0.474 nan 8.150 nan 0.000 0.449 45 A N -0.103 122.739 122.820 0.038 0.000 1.858 45 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 45 A C 2.571 180.183 177.584 0.047 0.000 1.190 45 A CA 2.345 54.395 52.037 0.022 0.000 0.617 45 A CB -1.248 17.744 19.000 -0.014 0.000 0.827 45 A HN 1.189 nan 8.150 nan 0.000 0.443 46 A N -0.179 122.695 122.820 0.091 0.000 1.917 46 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 46 A C 2.166 179.810 177.584 0.099 0.000 1.182 46 A CA 1.675 53.793 52.037 0.135 0.000 0.633 46 A CB -0.569 18.607 19.000 0.294 0.000 0.819 46 A HN 0.556 nan 8.150 nan 0.000 0.448 47 R N -0.656 119.900 120.500 0.093 0.000 2.293 47 R HA 0.025 4.365 4.340 -0.000 0.000 0.219 47 R C 1.479 177.806 176.300 0.045 0.000 1.091 47 R CA 0.668 56.809 56.100 0.068 0.000 1.004 47 R CB -0.385 29.954 30.300 0.064 0.000 0.865 47 R HN 0.498 nan 8.270 nan 0.000 0.469 48 L N -0.063 121.184 121.223 0.039 0.000 2.492 48 L HA 0.028 4.368 4.340 -0.000 0.000 0.223 48 L C 1.268 178.146 176.870 0.013 0.000 1.132 48 L CA 0.433 55.287 54.840 0.023 0.000 0.850 48 L CB -0.639 41.431 42.059 0.019 0.000 0.966 48 L HN 0.374 nan 8.230 nan 0.000 0.454 49 G N 0.374 109.186 108.800 0.019 0.000 2.581 49 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.291 49 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.291 49 G C 0.801 175.699 174.900 -0.002 0.000 1.277 49 G CA -0.072 45.034 45.100 0.009 0.000 0.959 49 G HN 0.398 nan 8.290 nan 0.000 0.554 50 G N 0.531 109.321 108.800 -0.017 0.000 3.028 50 G HA2 0.526 4.486 3.960 -0.000 0.000 0.205 50 G HA3 0.526 4.486 3.960 -0.000 0.000 0.205 50 G C 1.375 176.262 174.900 -0.021 0.000 1.182 50 G CA 1.527 46.611 45.100 -0.026 0.000 0.860 50 G HN 2.558 nan 8.290 nan 0.000 0.507 51 G N -1.112 107.681 108.800 -0.012 0.000 2.716 51 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 51 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 51 G C 0.346 175.241 174.900 -0.008 0.000 1.337 51 G CA 0.215 45.311 45.100 -0.007 0.000 0.829 51 G HN 0.298 nan 8.290 nan 0.000 0.599 52 Q N 0.341 120.142 119.800 0.002 0.000 2.217 52 Q HA -0.141 4.199 4.340 -0.000 0.000 0.209 52 Q C 2.497 178.503 176.000 0.010 0.000 0.988 52 Q CA 2.753 58.562 55.803 0.009 0.000 0.878 52 Q CB -0.196 28.552 28.738 0.017 0.000 0.909 52 Q HN 0.737 nan 8.270 nan 0.000 0.424 53 K N -0.628 119.775 120.400 0.006 0.000 2.025 53 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 53 K C 2.085 178.688 176.600 0.004 0.000 1.049 53 K CA 1.046 57.339 56.287 0.009 0.000 0.933 53 K CB 0.021 32.525 32.500 0.006 0.000 0.714 53 K HN 0.113 nan 8.250 nan 0.000 0.438 54 R N 0.403 120.896 120.500 -0.011 0.000 2.092 54 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 54 R C 2.341 178.621 176.300 -0.034 0.000 1.119 54 R CA 1.285 57.372 56.100 -0.022 0.000 0.970 54 R CB -0.277 29.997 30.300 -0.043 0.000 0.864 54 R HN 0.240 nan 8.270 nan 0.000 0.440 55 I N 1.150 121.688 120.570 -0.053 0.000 2.248 55 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 55 I C 1.542 177.571 176.117 -0.147 0.000 1.107 55 I CA 1.281 62.501 61.300 -0.133 0.000 1.373 55 I CB -0.353 37.588 38.000 -0.099 0.000 1.055 55 I HN 0.160 nan 8.210 nan 0.000 0.418 56 D N 1.096 121.492 120.400 -0.007 0.000 2.097 56 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 56 D C 2.309 178.649 176.300 0.067 0.000 0.984 56 D CA 1.593 55.638 54.000 0.074 0.000 0.826 56 D CB -0.289 40.554 40.800 0.071 0.000 0.973 56 D HN 0.332 nan 8.370 nan 0.000 0.460 57 A N 0.976 123.821 122.820 0.042 0.000 1.903 57 A HA -0.316 4.004 4.320 -0.000 0.000 0.219 57 A C 2.185 179.816 177.584 0.078 0.000 1.191 57 A CA 2.453 54.526 52.037 0.061 0.000 0.638 57 A CB -0.834 18.198 19.000 0.054 0.000 0.823 57 A HN 0.211 nan 8.150 nan 0.000 0.451 58 Q N -0.482 119.347 119.800 0.047 0.000 2.002 58 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 58 Q C 1.812 177.852 176.000 0.067 0.000 0.988 58 Q CA 2.543 58.376 55.803 0.049 0.000 0.843 58 Q CB -0.669 28.046 28.738 -0.039 0.000 0.908 58 Q HN 0.834 nan 8.270 nan 0.000 0.420 59 H N -1.380 117.719 119.070 0.049 0.000 2.426 59 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 59 H C 1.727 177.073 175.328 0.031 0.000 1.107 59 H CA 0.503 56.570 56.048 0.031 0.000 1.298 59 H CB -0.142 29.634 29.762 0.023 0.000 1.377 59 H HN 0.534 nan 8.280 nan 0.000 0.519 60 G N 0.668 109.564 108.800 0.160 0.000 2.450 60 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 60 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 60 G C 1.432 176.383 174.900 0.086 0.000 1.130 60 G CA 0.318 45.480 45.100 0.104 0.000 0.760 60 G HN 0.363 nan 8.290 nan 0.000 0.557 61 R N 0.200 120.753 120.500 0.088 0.000 2.363 61 R HA 0.276 4.616 4.340 -0.000 0.000 0.236 61 R C 1.683 178.019 176.300 0.059 0.000 0.966 61 R CA 0.372 56.513 56.100 0.068 0.000 1.100 61 R CB -0.048 30.289 30.300 0.061 0.000 1.125 61 R HN 0.322 nan 8.270 nan 0.000 0.514 62 G N 1.585 110.429 108.800 0.073 0.000 2.166 62 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 62 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 62 G C -0.158 174.782 174.900 0.066 0.000 0.986 62 G CA 0.367 45.504 45.100 0.061 0.000 0.683 62 G HN 0.324 nan 8.290 nan 0.000 0.527 63 K N 0.043 120.490 120.400 0.079 0.000 2.159 63 K HA 0.645 4.965 4.320 -0.000 0.000 0.266 63 K C 0.788 177.458 176.600 0.117 0.000 0.975 63 K CA -0.816 55.505 56.287 0.057 0.000 0.865 63 K CB 1.804 34.306 32.500 0.004 0.000 1.087 63 K HN 0.154 nan 8.250 nan 0.000 0.446 64 L N 1.489 122.770 121.223 0.096 0.000 2.479 64 L HA 0.148 4.488 4.340 -0.000 0.000 0.248 64 L C 1.218 178.104 176.870 0.027 0.000 1.205 64 L CA -0.174 54.745 54.840 0.131 0.000 0.817 64 L CB 0.716 42.818 42.059 0.071 0.000 1.162 64 L HN 0.797 nan 8.230 nan 0.000 0.486 65 T N -2.005 112.547 114.554 -0.004 0.000 2.847 65 T HA 0.372 4.722 4.350 -0.000 0.000 0.279 65 T C 1.022 175.709 174.700 -0.022 0.000 0.984 65 T CA -0.150 61.922 62.100 -0.047 0.000 0.988 65 T CB 1.507 70.330 68.868 -0.076 0.000 1.040 65 T HN 0.641 nan 8.240 nan 0.000 0.528 66 A N 1.765 124.576 122.820 -0.014 0.000 1.849 66 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 66 A C 2.553 180.097 177.584 -0.068 0.000 1.202 66 A CA 1.892 53.914 52.037 -0.024 0.000 0.629 66 A CB -0.971 18.030 19.000 0.002 0.000 0.834 66 A HN 0.951 nan 8.150 nan 0.000 0.447 67 R N -0.355 120.112 120.500 -0.055 0.000 2.091 67 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 67 R C 2.147 178.387 176.300 -0.100 0.000 1.136 67 R CA 1.663 57.712 56.100 -0.084 0.000 0.959 67 R CB -0.451 29.833 30.300 -0.027 0.000 0.856 67 R HN 0.726 nan 8.270 nan 0.000 0.437 68 E N 0.338 120.508 120.200 -0.050 0.000 2.110 68 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 68 E C 2.133 178.689 176.600 -0.075 0.000 0.988 68 E CA 0.991 57.370 56.400 -0.036 0.000 0.804 68 E CB -0.062 29.657 29.700 0.032 0.000 0.745 68 E HN 0.304 nan 8.360 nan 0.000 0.458 69 R N 0.474 120.924 120.500 -0.084 0.000 2.073 69 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 69 R C 2.488 178.686 176.300 -0.170 0.000 1.134 69 R CA 1.224 57.259 56.100 -0.108 0.000 0.952 69 R CB -0.470 29.771 30.300 -0.098 0.000 0.850 69 R HN 0.028 nan 8.270 nan 0.000 0.433 70 V N 1.480 121.251 119.914 -0.239 0.000 2.287 70 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 70 V C 1.479 177.371 176.094 -0.336 0.000 1.053 70 V CA 2.135 64.204 62.300 -0.385 0.000 1.027 70 V CB -0.510 30.923 31.823 -0.650 0.000 0.646 70 V HN 0.278 nan 8.190 nan 0.000 0.447 71 D N -0.147 120.103 120.400 -0.250 0.000 2.190 71 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 71 D C 1.890 178.111 176.300 -0.131 0.000 0.992 71 D CA 1.252 55.153 54.000 -0.166 0.000 0.854 71 D CB -0.148 40.590 40.800 -0.103 0.000 0.936 71 D HN 0.397 nan 8.370 nan 0.000 0.462 72 L N -0.525 120.621 121.223 -0.128 0.000 2.477 72 L HA 0.078 4.418 4.340 -0.000 0.000 0.220 72 L C 1.941 178.738 176.870 -0.122 0.000 1.106 72 L CA -0.026 54.748 54.840 -0.110 0.000 0.851 72 L CB -0.019 41.981 42.059 -0.099 0.000 0.994 72 L HN 0.076 nan 8.230 nan 0.000 0.462 73 L N 0.171 121.307 121.223 -0.146 0.000 2.049 73 L HA 0.055 4.395 4.340 -0.000 0.000 0.203 73 L C 0.864 177.660 176.870 -0.125 0.000 1.074 73 L CA 1.464 56.219 54.840 -0.142 0.000 0.749 73 L CB 0.017 41.979 42.059 -0.163 0.000 0.907 73 L HN -0.011 nan 8.230 nan 0.000 0.439 74 L N 0.788 121.927 121.223 -0.140 0.000 2.334 74 L HA 0.221 4.561 4.340 -0.000 0.000 0.277 74 L C -0.261 176.555 176.870 -0.090 0.000 1.075 74 L CA -1.024 53.749 54.840 -0.110 0.000 0.804 74 L CB 0.353 42.342 42.059 -0.117 0.000 1.174 74 L HN 0.042 nan 8.230 nan 0.000 0.438 75 D N 2.617 122.972 120.400 -0.074 0.000 2.772 75 D HA -0.129 4.511 4.640 -0.000 0.000 0.227 75 D C 0.478 176.739 176.300 -0.065 0.000 1.114 75 D CA 0.647 54.609 54.000 -0.063 0.000 0.832 75 D CB 0.374 41.141 40.800 -0.054 0.000 1.154 75 D HN 0.485 nan 8.370 nan 0.000 0.514 76 E N 1.235 121.401 120.200 -0.056 0.000 3.250 76 E HA 0.005 4.355 4.350 -0.000 0.000 0.244 76 E C 0.506 177.075 176.600 -0.051 0.000 0.931 76 E CA 0.447 56.817 56.400 -0.051 0.000 0.954 76 E CB -0.221 29.454 29.700 -0.042 0.000 0.894 76 E HN 0.678 nan 8.360 nan 0.000 0.560 77 G N 3.602 112.372 108.800 -0.049 0.000 2.438 77 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.272 77 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.272 77 G C 0.297 175.143 174.900 -0.092 0.000 0.991 77 G CA 0.478 45.545 45.100 -0.056 0.000 1.348 77 G HN 0.936 nan 8.290 nan 0.000 0.483 78 S N -0.075 115.551 115.700 -0.123 0.000 2.631 78 S HA 0.298 4.767 4.470 -0.000 0.000 0.248 78 S C 0.075 174.459 174.600 -0.360 0.000 0.949 78 S CA 0.204 58.267 58.200 -0.230 0.000 1.470 78 S CB 0.008 63.102 63.200 -0.177 0.000 1.248 78 S HN 1.564 nan 8.310 nan 0.000 0.662 79 F N 3.737 123.448 119.950 -0.399 0.000 2.410 79 F HA 0.711 5.238 4.527 -0.000 0.000 0.348 79 F C 0.036 175.525 175.800 -0.519 0.000 1.106 79 F CA -0.873 56.847 58.000 -0.467 0.000 1.163 79 F CB 1.179 40.002 39.000 -0.296 0.000 1.129 79 F HN 0.356 nan 8.300 nan 0.000 0.516 80 E N 4.856 124.188 120.200 -1.447 0.000 2.187 80 E HA 0.258 4.607 4.350 -0.000 0.000 0.268 80 E C -1.404 174.231 176.600 -1.609 0.000 0.896 80 E CA -0.642 55.035 56.400 -1.203 0.000 0.766 80 E CB 1.218 30.363 29.700 -0.924 0.000 1.142 80 E HN 0.771 nan 8.360 nan 0.000 0.408 81 E N 3.669 123.196 120.200 -1.121 0.000 2.214 81 E HA 0.357 4.707 4.350 -0.000 0.000 0.274 81 E C -1.215 175.245 176.600 -0.233 0.000 0.977 81 E CA -0.705 55.220 56.400 -0.791 0.000 0.827 81 E CB 0.727 30.180 29.700 -0.411 0.000 1.130 81 E HN 0.326 nan 8.360 nan 0.000 0.394 82 F N 1.051 120.948 119.950 -0.089 0.000 2.579 82 F HA 0.239 4.766 4.527 -0.000 0.000 0.324 82 F C 0.051 175.818 175.800 -0.055 0.000 1.058 82 F CA -1.353 56.620 58.000 -0.045 0.000 0.944 82 F CB 1.330 40.361 39.000 0.051 0.000 1.245 82 F HN 0.528 nan 8.300 nan 0.000 0.477 83 D N 1.044 121.516 120.400 0.120 0.000 2.737 83 D HA -0.266 4.374 4.640 -0.000 0.000 0.233 83 D C 1.420 177.695 176.300 -0.043 0.000 1.155 83 D CA 0.786 54.798 54.000 0.019 0.000 0.667 83 D CB -0.952 39.889 40.800 0.069 0.000 1.060 83 D HN 0.731 nan 8.370 nan 0.000 0.427 84 M N -1.005 118.473 119.600 -0.203 0.000 2.213 84 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 84 M C 0.820 177.061 176.300 -0.097 0.000 1.062 84 M CA 1.602 56.748 55.300 -0.256 0.000 1.105 84 M CB 0.063 32.346 32.600 -0.529 0.000 1.385 84 M HN 0.041 nan 8.290 nan 0.000 0.417 85 F N -0.004 119.963 119.950 0.030 0.000 2.668 85 F HA 0.303 4.830 4.527 -0.000 0.000 0.297 85 F C 0.333 176.133 175.800 -0.001 0.000 1.124 85 F CA -1.057 56.949 58.000 0.010 0.000 1.353 85 F CB -1.315 37.688 39.000 0.005 0.000 0.992 85 F HN -0.263 nan 8.300 nan 0.000 0.524 86 V N 1.459 121.451 119.914 0.130 0.000 2.740 86 V HA 0.228 4.348 4.120 -0.000 0.000 0.303 86 V C 0.642 176.768 176.094 0.053 0.000 1.054 86 V CA 0.186 62.531 62.300 0.075 0.000 1.106 86 V CB 0.962 32.813 31.823 0.047 0.000 0.957 86 V HN 0.494 nan 8.190 nan 0.000 0.486 87 T N 1.901 116.464 114.554 0.015 0.000 2.893 87 T HA 0.495 4.845 4.350 -0.000 0.000 0.291 87 T C -0.286 174.379 174.700 -0.059 0.000 1.028 87 T CA -0.790 61.272 62.100 -0.063 0.000 0.995 87 T CB 1.393 70.189 68.868 -0.120 0.000 1.051 87 T HN 0.899 nan 8.240 nan 0.000 0.470 88 H N 1.924 121.010 119.070 0.026 0.000 2.730 88 H HA 0.331 4.887 4.556 -0.000 0.000 0.376 88 H C -0.201 175.135 175.328 0.014 0.000 1.299 88 H CA -0.714 55.347 56.048 0.021 0.000 1.447 88 H CB 0.651 30.427 29.762 0.024 0.000 1.493 88 H HN 0.628 nan 8.280 nan 0.000 0.619 89 R N 0.894 121.573 120.500 0.297 0.000 2.700 89 R HA 0.201 4.540 4.340 -0.000 0.000 0.377 89 R C -0.503 175.907 176.300 0.183 0.000 1.130 89 R CA -0.322 55.894 56.100 0.192 0.000 1.055 89 R CB -0.183 30.168 30.300 0.085 0.000 1.387 89 R HN 0.418 nan 8.270 nan 0.000 0.580 90 C N 1.069 120.540 119.300 0.284 0.000 2.401 90 C HA 0.366 4.826 4.460 -0.000 0.000 0.365 90 C C 1.788 176.813 174.990 0.058 0.000 1.250 90 C CA 0.138 59.161 59.018 0.007 0.000 2.131 90 C CB 0.808 28.363 27.740 -0.308 0.000 2.445 90 C HN 0.693 nan 8.230 nan 0.000 0.550 91 T N -0.221 114.323 114.554 -0.017 0.000 2.986 91 T HA 0.193 4.543 4.350 -0.000 0.000 0.264 91 T C 0.054 174.693 174.700 -0.102 0.000 0.964 91 T CA -0.149 61.937 62.100 -0.023 0.000 0.895 91 T CB -0.146 68.708 68.868 -0.023 0.000 1.163 91 T HN 0.645 nan 8.240 nan 0.000 0.517 92 D N 1.686 121.969 120.400 -0.195 0.000 2.371 92 D HA 0.283 4.923 4.640 -0.000 0.000 0.242 92 D C 0.320 176.422 176.300 -0.331 0.000 1.218 92 D CA -0.455 53.271 54.000 -0.458 0.000 0.945 92 D CB 0.070 40.404 40.800 -0.777 0.000 1.137 92 D HN 0.173 nan 8.370 nan 0.000 0.464 93 F N 0.304 120.251 119.950 -0.005 0.000 2.978 93 F HA -0.303 4.224 4.527 -0.000 0.000 0.248 93 F C 0.921 176.722 175.800 0.001 0.000 0.994 93 F CA 0.286 58.284 58.000 -0.003 0.000 0.849 93 F CB -2.342 36.652 39.000 -0.009 0.000 0.737 93 F HN 0.335 nan 8.300 nan 0.000 0.800 94 N N -3.055 115.696 118.700 0.085 0.000 2.681 94 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 94 N C 0.585 176.149 175.510 0.089 0.000 1.133 94 N CA 1.344 54.439 53.050 0.075 0.000 0.732 94 N CB -0.648 37.888 38.487 0.081 0.000 1.107 94 N HN 0.411 nan 8.380 nan 0.000 0.559 99 D N 0.841 121.299 120.400 0.096 0.000 2.340 99 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 99 D C -0.059 176.276 176.300 0.058 0.000 1.039 99 D CA 0.484 54.519 54.000 0.058 0.000 0.866 99 D CB 0.548 41.377 40.800 0.048 0.000 0.913 99 D HN 0.233 nan 8.370 nan 0.000 0.523 100 Q N 0.923 120.783 119.800 0.101 0.000 2.932 100 Q HA 0.164 4.503 4.340 -0.000 0.000 0.248 100 Q C -0.844 175.222 176.000 0.109 0.000 0.982 100 Q CA -0.251 55.608 55.803 0.093 0.000 0.730 100 Q CB 0.487 29.287 28.738 0.104 0.000 1.249 100 Q HN -0.154 nan 8.270 nan 0.000 0.476 101 K N 3.614 123.996 120.400 -0.031 0.000 2.457 101 K HA 0.293 4.613 4.320 -0.000 0.000 0.226 101 K C -2.241 174.301 176.600 -0.097 0.000 1.114 101 K CA -1.371 54.796 56.287 -0.199 0.000 1.089 101 K CB 0.741 33.069 32.500 -0.287 0.000 1.739 101 K HN 0.419 nan 8.250 nan 0.000 0.473 102 P HA 0.025 nan 4.420 nan 0.000 0.270 102 P C -0.438 176.866 177.300 0.007 0.000 1.223 102 P CA -0.298 62.802 63.100 -0.000 0.000 0.785 102 P CB 0.831 32.544 31.700 0.022 0.000 0.923 103 A N 0.705 123.547 122.820 0.036 0.000 2.388 103 A HA 0.515 4.835 4.320 -0.000 0.000 0.257 103 A C 1.383 179.017 177.584 0.084 0.000 1.095 103 A CA 0.419 52.511 52.037 0.091 0.000 0.791 103 A CB -0.622 18.475 19.000 0.161 0.000 1.029 103 A HN 0.906 nan 8.150 nan 0.000 0.489 104 G N 1.093 109.945 108.800 0.086 0.000 2.284 104 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.247 104 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.247 104 G C 0.470 175.370 174.900 0.001 0.000 1.012 104 G CA 1.006 46.132 45.100 0.043 0.000 0.618 104 G HN 1.896 nan 8.290 nan 0.000 0.521 105 D N -1.310 119.100 120.400 0.017 0.000 2.911 105 D HA 0.111 4.751 4.640 -0.000 0.000 0.227 105 D C 1.912 178.195 176.300 -0.029 0.000 1.164 105 D CA 3.308 57.325 54.000 0.028 0.000 0.782 105 D CB -1.279 39.556 40.800 0.058 0.000 1.094 105 D HN 2.213 nan 8.370 nan 0.000 0.425 106 G N -2.945 105.814 108.800 -0.069 0.000 2.195 106 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.224 106 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.224 106 G C 0.189 174.909 174.900 -0.300 0.000 0.990 106 G CA 0.251 45.279 45.100 -0.121 0.000 0.639 106 G HN 1.186 nan 8.290 nan 0.000 0.514 107 V N 0.273 119.965 119.914 -0.369 0.000 2.971 107 V HA 0.734 4.854 4.120 -0.000 0.000 0.309 107 V C -0.715 175.352 176.094 -0.045 0.000 1.130 107 V CA -0.641 61.502 62.300 -0.263 0.000 0.964 107 V CB 2.390 33.908 31.823 -0.507 0.000 1.029 107 V HN 0.527 nan 8.190 nan 0.000 0.427 108 V N 5.194 125.145 119.914 0.062 0.000 2.347 108 V HA 0.623 4.743 4.120 -0.000 0.000 0.280 108 V C 0.276 176.491 176.094 0.202 0.000 1.021 108 V CA 0.006 62.373 62.300 0.112 0.000 0.847 108 V CB 1.577 33.441 31.823 0.069 0.000 0.990 108 V HN 1.067 nan 8.190 nan 0.000 0.444 109 T N 1.634 116.334 114.554 0.243 0.000 2.932 109 T HA 0.989 5.339 4.350 -0.000 0.000 0.289 109 T C 0.051 174.925 174.700 0.290 0.000 1.039 109 T CA -0.095 62.188 62.100 0.305 0.000 1.024 109 T CB 2.320 71.362 68.868 0.289 0.000 1.090 109 T HN 1.261 nan 8.240 nan 0.000 0.496 110 G N 0.029 108.989 108.800 0.266 0.000 2.367 110 G HA2 0.430 4.390 3.960 -0.000 0.000 0.272 110 G HA3 0.430 4.390 3.960 -0.000 0.000 0.272 110 G C -1.972 173.015 174.900 0.144 0.000 1.271 110 G CA -0.337 44.712 45.100 -0.085 0.000 0.893 110 G HN 1.218 nan 8.290 nan 0.000 0.485 111 W N -0.282 120.836 121.300 -0.303 0.000 3.039 111 W HA 0.860 5.520 4.660 -0.000 0.000 0.354 111 W C 0.098 176.527 176.519 -0.150 0.000 1.206 111 W CA -0.676 56.488 57.345 -0.302 0.000 1.134 111 W CB 0.904 29.941 29.460 -0.705 0.000 1.493 111 W HN 2.024 nan 8.180 nan 0.000 0.591 112 G N 0.335 108.985 108.800 -0.250 0.000 2.356 112 G HA2 0.502 4.462 3.960 -0.000 0.000 0.281 112 G HA3 0.502 4.462 3.960 -0.000 0.000 0.281 112 G C -1.431 173.417 174.900 -0.087 0.000 1.246 112 G CA 0.027 44.866 45.100 -0.435 0.000 0.889 112 G HN 0.939 nan 8.290 nan 0.000 0.486 113 T N -1.721 112.783 114.554 -0.084 0.000 2.906 113 T HA 0.752 5.102 4.350 -0.000 0.000 0.295 113 T C -0.796 173.888 174.700 -0.027 0.000 1.075 113 T CA -0.635 61.461 62.100 -0.005 0.000 1.005 113 T CB 2.128 71.006 68.868 0.017 0.000 1.136 113 T HN 0.645 nan 8.240 nan 0.000 0.498 114 I N 2.453 123.015 120.570 -0.014 0.000 2.437 114 I HA 0.362 4.532 4.170 -0.000 0.000 0.279 114 I C 0.064 176.166 176.117 -0.025 0.000 1.028 114 I CA -0.726 60.556 61.300 -0.030 0.000 1.142 114 I CB 0.897 38.877 38.000 -0.034 0.000 1.266 114 I HN 0.773 nan 8.210 nan 0.000 0.461 115 N N 4.885 123.568 118.700 -0.029 0.000 2.741 115 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 115 N C 0.911 176.414 175.510 -0.012 0.000 1.115 115 N CA 1.241 54.276 53.050 -0.024 0.000 0.724 115 N CB -0.674 37.793 38.487 -0.033 0.000 1.090 115 N HN 1.153 nan 8.380 nan 0.000 0.558 116 G N -0.806 107.991 108.800 -0.004 0.000 2.195 116 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.246 116 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.246 116 G C 0.072 174.990 174.900 0.030 0.000 0.984 116 G CA 0.455 45.562 45.100 0.013 0.000 0.633 116 G HN 0.493 nan 8.290 nan 0.000 0.525 117 R N 0.256 120.770 120.500 0.024 0.000 2.312 117 R HA 0.567 4.907 4.340 -0.000 0.000 0.311 117 R C 0.423 176.759 176.300 0.060 0.000 1.004 117 R CA -0.701 55.422 56.100 0.038 0.000 0.902 117 R CB 2.095 32.408 30.300 0.021 0.000 1.073 117 R HN 0.075 nan 8.270 nan 0.000 0.457 118 V N 3.720 123.685 119.914 0.085 0.000 2.673 118 V HA 0.057 4.177 4.120 -0.000 0.000 0.303 118 V C 0.229 176.367 176.094 0.073 0.000 1.046 118 V CA 0.341 62.702 62.300 0.102 0.000 1.126 118 V CB 1.069 32.924 31.823 0.052 0.000 0.934 118 V HN 0.449 nan 8.190 nan 0.000 0.487 119 V N 5.119 125.056 119.914 0.038 0.000 2.888 119 V HA 0.504 4.624 4.120 -0.000 0.000 0.309 119 V C -1.308 174.783 176.094 -0.006 0.000 1.114 119 V CA -0.746 61.594 62.300 0.068 0.000 0.940 119 V CB 2.438 34.296 31.823 0.059 0.000 1.021 119 V HN 0.734 nan 8.190 nan 0.000 0.426 120 Y N 2.902 123.318 120.300 0.193 0.000 2.387 120 Y HA 0.783 5.333 4.550 -0.000 0.000 0.336 120 Y C 0.110 176.122 175.900 0.185 0.000 1.067 120 Y CA -0.416 57.822 58.100 0.229 0.000 1.114 120 Y CB 2.065 40.655 38.460 0.217 0.000 1.208 120 Y HN 0.427 nan 8.280 nan 0.000 0.458 121 V N 4.410 124.521 119.914 0.329 0.000 3.159 121 V HA 0.738 4.858 4.120 -0.000 0.000 0.308 121 V C -1.961 174.295 176.094 0.270 0.000 1.190 121 V CA -1.086 61.329 62.300 0.191 0.000 1.037 121 V CB 2.386 34.221 31.823 0.021 0.000 1.060 121 V HN 0.606 nan 8.190 nan 0.000 0.437 122 F N 2.369 122.380 119.950 0.103 0.000 2.605 122 F HA 0.810 5.337 4.527 -0.000 0.000 0.320 122 F C -0.949 174.881 175.800 0.050 0.000 1.159 122 F CA -0.464 57.591 58.000 0.092 0.000 0.999 122 F CB 1.450 40.526 39.000 0.127 0.000 1.258 122 F HN 0.456 nan 8.300 nan 0.000 0.464 123 S N 3.510 119.234 115.700 0.039 0.000 2.478 123 S HA 0.409 4.879 4.470 -0.000 0.000 0.312 123 S C -0.922 173.755 174.600 0.129 0.000 1.094 123 S CA -0.494 57.681 58.200 -0.042 0.000 1.081 123 S CB 1.220 64.356 63.200 -0.106 0.000 1.007 123 S HN 0.808 nan 8.310 nan 0.000 0.475 124 Q N 2.676 122.590 119.800 0.190 0.000 2.304 124 Q HA 0.165 4.505 4.340 -0.000 0.000 0.260 124 Q C -0.920 175.163 176.000 0.139 0.000 0.965 124 Q CA -0.168 55.768 55.803 0.222 0.000 0.898 124 Q CB 0.735 29.666 28.738 0.322 0.000 1.196 124 Q HN 0.550 nan 8.270 nan 0.000 0.402 125 D N 2.553 123.014 120.400 0.102 0.000 2.456 125 D HA 0.024 4.664 4.640 -0.000 0.000 0.219 125 D C 0.043 176.427 176.300 0.140 0.000 1.126 125 D CA -0.379 53.675 54.000 0.091 0.000 0.890 125 D CB 0.216 41.036 40.800 0.033 0.000 1.025 125 D HN 0.448 nan 8.370 nan 0.000 0.511 126 F N 2.665 122.623 119.950 0.013 0.000 2.250 126 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 126 F C 2.295 178.102 175.800 0.013 0.000 1.077 126 F CA 1.806 59.816 58.000 0.017 0.000 1.348 126 F CB -0.338 38.661 39.000 -0.000 0.000 1.040 126 F HN 0.391 nan 8.300 nan 0.000 0.509 127 T N -2.247 112.268 114.554 -0.066 0.000 3.163 127 T HA 0.073 4.423 4.350 -0.000 0.000 0.260 127 T C 0.487 175.112 174.700 -0.125 0.000 1.156 127 T CA 0.503 62.516 62.100 -0.146 0.000 1.072 127 T CB -0.927 67.906 68.868 -0.058 0.000 0.937 127 T HN -0.078 nan 8.240 nan 0.000 0.528 128 V N 2.593 122.452 119.914 -0.092 0.000 2.284 128 V HA 0.395 4.515 4.120 -0.000 0.000 0.274 128 V C 0.449 176.518 176.094 -0.042 0.000 1.023 128 V CA -0.960 61.311 62.300 -0.048 0.000 0.808 128 V CB 0.342 32.159 31.823 -0.011 0.000 1.035 128 V HN 0.536 nan 8.190 nan 0.000 0.445 129 L N 4.239 125.427 121.223 -0.057 0.000 3.717 129 L HA -0.262 4.078 4.340 -0.000 0.000 0.414 129 L C 1.541 178.372 176.870 -0.064 0.000 1.228 129 L CA 0.599 55.418 54.840 -0.034 0.000 0.918 129 L CB -1.544 40.533 42.059 0.030 0.000 1.865 129 L HN 1.014 nan 8.230 nan 0.000 0.922 130 G N -1.117 107.558 108.800 -0.209 0.000 2.186 130 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.266 130 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.266 130 G C 1.115 176.012 174.900 -0.005 0.000 0.982 130 G CA 0.731 45.634 45.100 -0.330 0.000 0.670 130 G HN 1.968 nan 8.290 nan 0.000 0.533 131 G N -1.052 107.781 108.800 0.054 0.000 2.249 131 G HA2 0.073 4.033 3.960 -0.000 0.000 0.273 131 G HA3 0.073 4.033 3.960 -0.000 0.000 0.273 131 G C 0.667 175.730 174.900 0.272 0.000 1.036 131 G CA 1.344 46.565 45.100 0.202 0.000 0.824 131 G HN 2.413 nan 8.290 nan 0.000 0.504 132 S N -1.375 114.431 115.700 0.176 0.000 2.562 132 S HA 0.525 4.995 4.470 -0.000 0.000 0.281 132 S C 0.507 175.158 174.600 0.086 0.000 1.333 132 S CA -0.326 57.949 58.200 0.125 0.000 1.052 132 S CB 2.229 65.477 63.200 0.079 0.000 0.884 132 S HN 1.004 nan 8.310 nan 0.000 0.506 133 V N 4.161 124.003 119.914 -0.119 0.000 2.439 133 V HA 0.351 4.471 4.120 -0.000 0.000 0.271 133 V C 0.833 176.739 176.094 -0.313 0.000 1.040 133 V CA -0.008 62.011 62.300 -0.469 0.000 1.002 133 V CB -0.148 31.136 31.823 -0.898 0.000 1.000 133 V HN 1.108 nan 8.190 nan 0.000 0.477 134 S N 3.102 118.693 115.700 -0.182 0.000 2.798 134 S HA 0.433 4.903 4.470 -0.000 0.000 0.312 134 S C 1.000 175.529 174.600 -0.119 0.000 1.122 134 S CA -0.374 57.766 58.200 -0.100 0.000 0.949 134 S CB 1.659 64.865 63.200 0.011 0.000 1.235 134 S HN 0.717 nan 8.310 nan 0.000 0.552 135 E N 0.621 120.782 120.200 -0.065 0.000 2.038 135 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 135 E C 1.814 178.396 176.600 -0.030 0.000 1.000 135 E CA 2.126 58.491 56.400 -0.058 0.000 0.803 135 E CB -0.720 28.967 29.700 -0.022 0.000 0.750 135 E HN 0.871 nan 8.360 nan 0.000 0.448 136 T N -2.091 112.477 114.554 0.022 0.000 2.867 136 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 136 T C 1.858 176.600 174.700 0.070 0.000 1.057 136 T CA 1.551 63.677 62.100 0.044 0.000 1.136 136 T CB -0.674 68.236 68.868 0.071 0.000 0.874 136 T HN 0.423 nan 8.240 nan 0.000 0.466 137 H N 1.630 120.667 119.070 -0.055 0.000 2.293 137 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 137 H C 2.637 177.885 175.328 -0.134 0.000 1.082 137 H CA 1.719 57.723 56.048 -0.074 0.000 1.308 137 H CB -0.168 29.538 29.762 -0.093 0.000 1.375 137 H HN 0.499 nan 8.280 nan 0.000 0.495 138 S N 0.451 116.120 115.700 -0.051 0.000 2.359 138 S HA -0.204 4.265 4.470 -0.000 0.000 0.224 138 S C 2.064 176.611 174.600 -0.089 0.000 1.035 138 S CA 1.411 59.506 58.200 -0.175 0.000 1.018 138 S CB -0.326 62.707 63.200 -0.279 0.000 0.876 138 S HN 0.429 nan 8.310 nan 0.000 0.448 139 K N 1.128 121.499 120.400 -0.048 0.000 2.089 139 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 139 K C 2.391 178.991 176.600 -0.000 0.000 1.048 139 K CA 1.824 58.097 56.287 -0.023 0.000 0.926 139 K CB -0.297 32.199 32.500 -0.007 0.000 0.714 139 K HN 0.508 nan 8.250 nan 0.000 0.448 140 K N 0.462 120.876 120.400 0.023 0.000 2.057 140 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 140 K C 2.170 178.804 176.600 0.055 0.000 1.049 140 K CA 1.093 57.413 56.287 0.056 0.000 0.931 140 K CB -0.073 32.464 32.500 0.061 0.000 0.714 140 K HN 0.150 nan 8.250 nan 0.000 0.440 141 I N 0.603 121.155 120.570 -0.030 0.000 2.252 141 I HA -0.304 3.865 4.170 -0.000 0.000 0.245 141 I C 2.350 178.437 176.117 -0.051 0.000 1.102 141 I CA 0.817 62.036 61.300 -0.135 0.000 1.385 141 I CB -0.485 37.236 38.000 -0.465 0.000 1.064 141 I HN 0.249 nan 8.210 nan 0.000 0.414 142 C N 0.924 120.193 119.300 -0.052 0.000 2.429 142 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 142 C C 2.886 177.880 174.990 0.007 0.000 1.262 142 C CA 0.916 59.918 59.018 -0.026 0.000 1.733 142 C CB -0.985 26.734 27.740 -0.036 0.000 2.010 142 C HN 0.484 nan 8.230 nan 0.000 0.483 143 K N 1.568 121.986 120.400 0.030 0.000 2.044 143 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 143 K C 1.722 178.371 176.600 0.082 0.000 1.049 143 K CA 2.275 58.591 56.287 0.049 0.000 0.927 143 K CB -0.324 32.222 32.500 0.077 0.000 0.713 143 K HN 0.684 nan 8.250 nan 0.000 0.443 144 I N -2.029 118.634 120.570 0.156 0.000 2.761 144 I HA -0.091 4.079 4.170 -0.000 0.000 0.261 144 I C 2.131 178.255 176.117 0.011 0.000 1.198 144 I CA 0.711 62.124 61.300 0.189 0.000 1.482 144 I CB -0.127 38.113 38.000 0.399 0.000 1.100 144 I HN 0.082 nan 8.210 nan 0.000 0.445 145 M N 1.033 120.655 119.600 0.036 0.000 2.098 145 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 145 M C 1.729 177.988 176.300 -0.068 0.000 1.072 145 M CA 1.671 56.979 55.300 0.012 0.000 1.133 145 M CB -0.580 32.044 32.600 0.040 0.000 1.344 145 M HN 0.189 nan 8.290 nan 0.000 0.414 146 D N 0.310 120.677 120.400 -0.056 0.000 2.182 146 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 146 D C 1.791 178.006 176.300 -0.141 0.000 0.986 146 D CA 1.309 55.267 54.000 -0.070 0.000 0.847 146 D CB -0.183 40.591 40.800 -0.044 0.000 0.942 146 D HN 0.304 nan 8.370 nan 0.000 0.467 147 M N -0.087 119.378 119.600 -0.225 0.000 2.288 147 M HA 0.003 4.483 4.480 -0.000 0.000 0.266 147 M C 1.916 177.766 176.300 -0.750 0.000 1.072 147 M CA 0.884 55.950 55.300 -0.389 0.000 1.132 147 M CB 0.220 32.635 32.600 -0.309 0.000 1.386 147 M HN -0.011 nan 8.290 nan 0.000 0.432 148 A N 0.213 122.539 122.820 -0.823 0.000 1.930 148 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 148 A C 2.070 179.531 177.584 -0.204 0.000 1.175 148 A CA 1.514 53.169 52.037 -0.636 0.000 0.627 148 A CB -0.549 18.326 19.000 -0.208 0.000 0.815 148 A HN 0.540 nan 8.150 nan 0.000 0.443 149 M N -1.422 118.094 119.600 -0.141 0.000 2.236 149 M HA -0.113 4.366 4.480 -0.000 0.000 0.266 149 M C 2.245 178.519 176.300 -0.044 0.000 1.070 149 M CA 1.160 56.432 55.300 -0.046 0.000 1.137 149 M CB -0.412 32.176 32.600 -0.020 0.000 1.378 149 M HN 0.475 nan 8.290 nan 0.000 0.426 150 Q N 0.351 120.104 119.800 -0.078 0.000 2.364 150 Q HA -0.107 4.233 4.340 -0.000 0.000 0.207 150 Q C 0.647 176.628 176.000 -0.032 0.000 0.970 150 Q CA 1.055 56.827 55.803 -0.051 0.000 0.888 150 Q CB 0.026 28.727 28.738 -0.061 0.000 0.951 150 Q HN 0.540 nan 8.270 nan 0.000 0.469 151 N N -1.423 117.257 118.700 -0.033 0.000 2.171 151 N HA 0.167 4.907 4.740 -0.000 0.000 0.212 151 N C -0.489 175.060 175.510 0.065 0.000 1.184 151 N CA 0.417 53.482 53.050 0.025 0.000 0.888 151 N CB 1.709 40.238 38.487 0.071 0.000 1.038 151 N HN 0.155 nan 8.380 nan 0.000 0.517 152 G N 0.793 109.629 108.800 0.059 0.000 2.415 152 G HA2 0.068 4.028 3.960 -0.000 0.000 0.283 152 G HA3 0.068 4.028 3.960 -0.000 0.000 0.283 152 G C -0.422 174.560 174.900 0.137 0.000 1.014 152 G CA 0.284 45.438 45.100 0.090 0.000 1.323 152 G HN 0.533 nan 8.290 nan 0.000 0.502 153 A N 2.384 125.313 122.820 0.183 0.000 2.517 153 A HA 0.933 5.253 4.320 -0.000 0.000 0.297 153 A C -2.458 175.282 177.584 0.260 0.000 1.050 153 A CA -1.259 50.929 52.037 0.250 0.000 0.694 153 A CB 1.986 21.235 19.000 0.414 0.000 1.277 153 A HN 0.245 nan 8.150 nan 0.000 0.400 154 P HA 0.291 nan 4.420 nan 0.000 0.271 154 P C -0.681 176.771 177.300 0.252 0.000 1.238 154 P CA -0.086 63.129 63.100 0.192 0.000 0.794 154 P CB 0.501 32.279 31.700 0.130 0.000 0.959 155 V N 1.949 121.996 119.914 0.223 0.000 2.483 155 V HA 0.297 4.417 4.120 -0.000 0.000 0.297 155 V C -0.170 176.036 176.094 0.187 0.000 1.027 155 V CA -0.391 62.059 62.300 0.251 0.000 0.855 155 V CB 1.390 33.368 31.823 0.259 0.000 0.995 155 V HN 0.271 nan 8.190 nan 0.000 0.424 156 I N 4.051 124.696 120.570 0.125 0.000 2.321 156 I HA 0.620 4.789 4.170 -0.000 0.000 0.291 156 I C 0.885 176.894 176.117 -0.180 0.000 0.998 156 I CA 0.070 61.382 61.300 0.020 0.000 1.227 156 I CB 1.615 39.606 38.000 -0.014 0.000 1.368 156 I HN 0.676 nan 8.210 nan 0.000 0.466 157 G N 7.194 115.859 108.800 -0.224 0.000 2.347 157 G HA2 0.619 4.579 3.960 -0.000 0.000 0.314 157 G HA3 0.619 4.579 3.960 -0.000 0.000 0.314 157 G C -0.308 174.253 174.900 -0.564 0.000 1.126 157 G CA -0.371 44.271 45.100 -0.764 0.000 0.929 157 G HN 0.529 nan 8.290 nan 0.000 0.441 158 I N 2.675 122.772 120.570 -0.789 0.000 2.313 158 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 158 I C -0.436 175.600 176.117 -0.135 0.000 1.091 158 I CA -0.666 60.444 61.300 -0.317 0.000 1.216 158 I CB 0.546 38.396 38.000 -0.249 0.000 1.434 158 I HN 0.352 nan 8.210 nan 0.000 0.487 159 N N 4.677 123.366 118.700 -0.018 0.000 2.444 159 N HA 0.314 5.054 4.740 -0.000 0.000 0.271 159 N C -0.599 174.908 175.510 -0.004 0.000 1.069 159 N CA -0.220 52.879 53.050 0.082 0.000 0.965 159 N CB 0.825 39.363 38.487 0.085 0.000 1.092 159 N HN 0.431 nan 8.380 nan 0.000 0.476 160 D N 0.747 121.162 120.400 0.025 0.000 2.826 160 D HA 0.143 4.783 4.640 -0.000 0.000 0.239 160 D C -1.669 174.670 176.300 0.065 0.000 1.329 160 D CA -0.269 53.687 54.000 -0.073 0.000 0.854 160 D CB 0.205 40.967 40.800 -0.064 0.000 1.494 160 D HN 0.306 nan 8.370 nan 0.000 0.540 161 S N 0.547 116.279 115.700 0.053 0.000 2.541 161 S HA 0.625 5.095 4.470 -0.000 0.000 0.280 161 S C 1.240 175.952 174.600 0.186 0.000 1.112 161 S CA -0.150 58.184 58.200 0.222 0.000 0.925 161 S CB 1.412 64.734 63.200 0.203 0.000 1.067 161 S HN 0.293 nan 8.310 nan 0.000 0.479 162 G N 1.697 110.707 108.800 0.350 0.000 2.559 162 G HA2 0.446 4.406 3.960 -0.000 0.000 0.216 162 G HA3 0.446 4.406 3.960 -0.000 0.000 0.216 162 G C 0.972 175.982 174.900 0.183 0.000 1.126 162 G CA 0.495 45.773 45.100 0.296 0.000 0.778 162 G HN 1.685 nan 8.290 nan 0.000 0.543 163 G N -1.366 107.533 108.800 0.164 0.000 2.306 163 G HA2 0.453 4.413 3.960 -0.000 0.000 0.262 163 G HA3 0.453 4.413 3.960 -0.000 0.000 0.262 163 G C -0.027 174.988 174.900 0.192 0.000 1.263 163 G CA -0.252 44.948 45.100 0.167 0.000 1.088 163 G HN 1.163 nan 8.290 nan 0.000 0.489 164 A N -0.318 122.642 122.820 0.234 0.000 2.406 164 A HA 0.670 4.990 4.320 -0.000 0.000 0.243 164 A C 0.945 178.591 177.584 0.102 0.000 1.082 164 A CA 0.835 53.000 52.037 0.213 0.000 0.786 164 A CB 0.317 19.512 19.000 0.324 0.000 1.029 164 A HN 1.188 nan 8.150 nan 0.000 0.495 165 R N 2.372 122.899 120.500 0.044 0.000 2.870 165 R HA 0.195 4.534 4.340 -0.000 0.000 0.254 165 R C 0.526 176.848 176.300 0.038 0.000 1.392 165 R CA -0.576 55.539 56.100 0.026 0.000 1.322 165 R CB -0.496 29.798 30.300 -0.010 0.000 1.205 165 R HN 0.715 nan 8.270 nan 0.000 0.597 166 I N 2.112 122.712 120.570 0.050 0.000 2.182 166 I HA -0.389 3.781 4.170 -0.000 0.000 0.248 166 I C 1.581 177.749 176.117 0.085 0.000 1.073 166 I CA 1.637 62.968 61.300 0.052 0.000 1.335 166 I CB -1.043 36.965 38.000 0.012 0.000 1.031 166 I HN 0.592 nan 8.210 nan 0.000 0.420 167 Q N 0.594 120.456 119.800 0.104 0.000 2.226 167 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 167 Q C 1.947 178.057 176.000 0.185 0.000 0.975 167 Q CA 0.958 56.926 55.803 0.276 0.000 0.866 167 Q CB -0.260 28.639 28.738 0.267 0.000 0.915 167 Q HN 0.560 nan 8.270 nan 0.000 0.440 168 E N -0.032 120.209 120.200 0.068 0.000 2.482 168 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 168 E C 1.059 177.686 176.600 0.044 0.000 1.047 168 E CA 0.492 56.904 56.400 0.020 0.000 0.869 168 E CB -0.070 29.619 29.700 -0.019 0.000 0.836 168 E HN 0.379 nan 8.360 nan 0.000 0.520 169 G N 1.363 110.215 108.800 0.085 0.000 2.596 169 G HA2 -0.428 3.531 3.960 -0.000 0.000 0.295 169 G HA3 -0.428 3.531 3.960 -0.000 0.000 0.295 169 G C 1.195 176.134 174.900 0.064 0.000 1.240 169 G CA 1.256 46.405 45.100 0.083 0.000 0.985 169 G HN 0.315 nan 8.290 nan 0.000 0.555 170 V N -1.686 118.260 119.914 0.054 0.000 2.720 170 V HA -0.040 4.080 4.120 -0.000 0.000 0.256 170 V C 2.131 178.249 176.094 0.041 0.000 1.082 170 V CA 2.817 65.149 62.300 0.053 0.000 1.101 170 V CB -0.632 31.218 31.823 0.044 0.000 0.693 170 V HN 0.599 nan 8.190 nan 0.000 0.479 171 D N 0.498 120.911 120.400 0.023 0.000 2.218 171 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 171 D C 2.306 178.593 176.300 -0.022 0.000 0.976 171 D CA 1.762 55.762 54.000 0.000 0.000 0.853 171 D CB 0.148 40.943 40.800 -0.008 0.000 0.939 171 D HN 0.582 nan 8.370 nan 0.000 0.481 172 S N -0.136 115.562 115.700 -0.004 0.000 2.395 172 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 172 S C 2.158 176.780 174.600 0.037 0.000 1.027 172 S CA 0.212 58.386 58.200 -0.043 0.000 0.965 172 S CB -0.012 63.200 63.200 0.021 0.000 0.812 172 S HN 0.164 nan 8.310 nan 0.000 0.482 173 L N 1.188 122.487 121.223 0.127 0.000 1.994 173 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 173 L C 2.964 179.912 176.870 0.130 0.000 1.071 173 L CA 1.422 56.381 54.840 0.199 0.000 0.745 173 L CB -0.857 41.287 42.059 0.142 0.000 0.892 173 L HN 0.388 nan 8.230 nan 0.000 0.431 174 A N 0.437 123.290 122.820 0.055 0.000 1.908 174 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 174 A C 2.402 179.961 177.584 -0.041 0.000 1.181 174 A CA 1.891 53.940 52.037 0.020 0.000 0.627 174 A CB -1.402 17.602 19.000 0.006 0.000 0.818 174 A HN 0.482 nan 8.150 nan 0.000 0.445 175 G N -1.405 107.330 108.800 -0.108 0.000 2.513 175 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 175 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 175 G C 1.454 176.163 174.900 -0.317 0.000 1.160 175 G CA 1.415 46.372 45.100 -0.238 0.000 0.767 175 G HN 0.548 nan 8.290 nan 0.000 0.571 176 Y N 1.248 121.370 120.300 -0.297 0.000 2.181 176 Y HA 0.004 4.554 4.550 -0.000 0.000 0.288 176 Y C 3.088 178.537 175.900 -0.753 0.000 1.146 176 Y CA 0.756 58.482 58.100 -0.624 0.000 1.164 176 Y CB -0.872 37.245 38.460 -0.571 0.000 0.982 176 Y HN 0.198 nan 8.280 nan 0.000 0.515 177 G N 0.028 108.758 108.800 -0.116 0.000 2.513 177 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 177 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 177 G C 1.592 176.498 174.900 0.010 0.000 1.160 177 G CA 1.305 46.440 45.100 0.058 0.000 0.767 177 G HN 0.292 nan 8.290 nan 0.000 0.571 178 E N 0.291 120.459 120.200 -0.053 0.000 2.110 178 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 178 E C 2.861 179.431 176.600 -0.049 0.000 0.988 178 E CA 0.661 57.039 56.400 -0.036 0.000 0.804 178 E CB -0.528 29.141 29.700 -0.051 0.000 0.745 178 E HN 0.353 nan 8.360 nan 0.000 0.458 179 V N 1.239 121.067 119.914 -0.143 0.000 2.237 179 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 179 V C 2.158 178.270 176.094 0.031 0.000 1.046 179 V CA 1.641 63.869 62.300 -0.119 0.000 1.007 179 V CB -0.663 31.020 31.823 -0.233 0.000 0.638 179 V HN 0.060 nan 8.190 nan 0.000 0.445 180 F N 0.522 120.511 119.950 0.064 0.000 2.043 180 F HA -0.306 4.221 4.527 -0.000 0.000 0.297 180 F C 2.633 178.452 175.800 0.031 0.000 1.118 180 F CA 2.081 60.114 58.000 0.054 0.000 1.202 180 F CB -1.493 37.537 39.000 0.051 0.000 0.965 180 F HN 0.176 nan 8.300 nan 0.000 0.482 181 Q N 0.619 120.560 119.800 0.235 0.000 2.096 181 Q HA -0.224 4.116 4.340 -0.000 0.000 0.208 181 Q C 2.272 178.327 176.000 0.092 0.000 0.993 181 Q CA 2.048 57.927 55.803 0.126 0.000 0.862 181 Q CB -0.316 28.474 28.738 0.087 0.000 0.915 181 Q HN 0.363 nan 8.270 nan 0.000 0.416 182 R N -0.415 120.133 120.500 0.081 0.000 2.070 182 R HA -0.079 4.261 4.340 -0.000 0.000 0.233 182 R C 2.285 178.638 176.300 0.088 0.000 1.137 182 R CA 1.562 57.701 56.100 0.064 0.000 0.945 182 R CB -0.539 29.787 30.300 0.042 0.000 0.845 182 R HN 0.474 nan 8.270 nan 0.000 0.430 183 N N 0.487 119.259 118.700 0.121 0.000 2.060 183 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 183 N C 1.860 177.432 175.510 0.104 0.000 1.028 183 N CA 1.502 54.634 53.050 0.136 0.000 0.861 183 N CB -0.172 38.427 38.487 0.187 0.000 1.029 183 N HN 0.182 nan 8.380 nan 0.000 0.428 184 I N 0.640 121.264 120.570 0.089 0.000 2.202 184 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 184 I C 2.147 178.286 176.117 0.037 0.000 1.091 184 I CA 1.180 62.507 61.300 0.046 0.000 1.368 184 I CB -0.303 37.712 38.000 0.025 0.000 1.058 184 I HN 0.213 nan 8.210 nan 0.000 0.410 185 M N 0.450 120.076 119.600 0.043 0.000 2.213 185 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 185 M C 2.157 178.482 176.300 0.042 0.000 1.062 185 M CA 1.738 57.059 55.300 0.035 0.000 1.105 185 M CB -0.360 32.260 32.600 0.034 0.000 1.385 185 M HN 0.268 nan 8.290 nan 0.000 0.417 186 A N -0.931 121.928 122.820 0.064 0.000 2.251 186 A HA 0.101 4.421 4.320 -0.000 0.000 0.209 186 A C 1.106 178.759 177.584 0.115 0.000 1.187 186 A CA 0.009 52.099 52.037 0.088 0.000 0.823 186 A CB -0.203 18.863 19.000 0.109 0.000 0.846 186 A HN 0.276 nan 8.150 nan 0.000 0.486 187 S N 0.328 116.080 115.700 0.087 0.000 2.509 187 S HA 0.384 4.854 4.470 -0.000 0.000 0.287 187 S C 1.359 175.999 174.600 0.066 0.000 1.248 187 S CA 0.855 59.116 58.200 0.102 0.000 1.089 187 S CB -0.353 62.879 63.200 0.052 0.000 0.900 187 S HN 1.710 nan 8.310 nan 0.000 0.496 188 G N 3.038 111.926 108.800 0.147 0.000 2.160 188 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.251 188 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.251 188 G C 0.453 175.068 174.900 -0.475 0.000 1.008 188 G CA 0.286 45.237 45.100 -0.248 0.000 0.724 188 G HN 0.752 nan 8.290 nan 0.000 0.514 189 V N -1.601 118.277 119.914 -0.061 0.000 3.219 189 V HA 0.516 4.636 4.120 -0.000 0.000 0.240 189 V C 0.842 177.058 176.094 0.202 0.000 1.222 189 V CA 1.134 63.419 62.300 -0.025 0.000 1.181 189 V CB 1.539 33.376 31.823 0.023 0.000 0.941 189 V HN 0.670 nan 8.190 nan 0.000 0.471 190 V N 0.956 121.110 119.914 0.399 0.000 2.891 190 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 190 V C -2.892 173.436 176.094 0.390 0.000 1.171 190 V CA -2.095 60.440 62.300 0.391 0.000 0.943 190 V CB 2.883 34.834 31.823 0.213 0.000 1.037 190 V HN 0.161 nan 8.190 nan 0.000 0.427 191 P HA 0.235 nan 4.420 nan 0.000 0.264 191 P C -1.305 176.097 177.300 0.170 0.000 1.193 191 P CA 0.240 63.364 63.100 0.039 0.000 0.763 191 P CB 0.179 31.832 31.700 -0.078 0.000 0.810 192 Q N 2.735 122.652 119.800 0.196 0.000 2.454 192 Q HA 0.420 4.760 4.340 -0.000 0.000 0.255 192 Q C -0.566 175.543 176.000 0.181 0.000 1.034 192 Q CA -0.305 55.608 55.803 0.184 0.000 0.736 192 Q CB 1.090 29.931 28.738 0.172 0.000 1.210 192 Q HN 0.444 nan 8.270 nan 0.000 0.500 193 I N 1.295 121.991 120.570 0.210 0.000 2.315 193 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 193 I C 0.090 176.319 176.117 0.186 0.000 1.006 193 I CA -0.184 61.273 61.300 0.261 0.000 1.265 193 I CB 1.550 39.720 38.000 0.284 0.000 1.387 193 I HN 0.377 nan 8.210 nan 0.000 0.475 194 S N 7.545 123.337 115.700 0.152 0.000 2.442 194 S HA 0.563 5.033 4.470 -0.000 0.000 0.297 194 S C -0.269 174.415 174.600 0.141 0.000 1.131 194 S CA -0.637 57.626 58.200 0.104 0.000 1.092 194 S CB 0.790 64.026 63.200 0.059 0.000 0.998 194 S HN 0.444 nan 8.310 nan 0.000 0.478 195 M N 4.418 124.080 119.600 0.102 0.000 2.072 195 M HA 0.418 4.898 4.480 -0.000 0.000 0.331 195 M C -1.305 175.020 176.300 0.042 0.000 1.004 195 M CA -0.587 54.789 55.300 0.127 0.000 0.952 195 M CB 1.003 33.652 32.600 0.083 0.000 1.511 195 M HN 0.405 nan 8.290 nan 0.000 0.422 196 I N 4.571 125.166 120.570 0.040 0.000 2.304 196 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 196 I C 0.477 176.575 176.117 -0.032 0.000 1.018 196 I CA 0.523 61.806 61.300 -0.027 0.000 1.260 196 I CB 0.916 38.879 38.000 -0.061 0.000 1.390 196 I HN 0.765 nan 8.210 nan 0.000 0.475 197 M N 4.792 124.347 119.600 -0.074 0.000 2.511 197 M HA 0.433 4.913 4.480 -0.000 0.000 0.387 197 M C 0.545 176.749 176.300 -0.161 0.000 1.112 197 M CA -0.191 55.063 55.300 -0.077 0.000 0.921 197 M CB 0.898 33.470 32.600 -0.046 0.000 1.501 197 M HN 0.752 nan 8.290 nan 0.000 0.538 198 G N 0.506 109.151 108.800 -0.259 0.000 2.726 198 G HA2 0.530 4.489 3.960 -0.000 0.000 0.198 198 G HA3 0.530 4.489 3.960 -0.000 0.000 0.198 198 G C -3.382 171.134 174.900 -0.640 0.000 1.195 198 G CA -0.555 44.281 45.100 -0.441 0.000 0.951 198 G HN -0.122 nan 8.290 nan 0.000 0.532 199 P HA 0.502 nan 4.420 nan 0.000 0.286 199 P C -1.104 175.844 177.300 -0.586 0.000 1.261 199 P CA -0.372 62.046 63.100 -1.138 0.000 0.821 199 P CB 1.857 33.092 31.700 -0.776 0.000 1.013 200 C N 3.414 122.382 119.300 -0.552 0.000 2.789 200 C HA 0.812 5.272 4.460 -0.000 0.000 0.324 200 C C -0.566 174.258 174.990 -0.277 0.000 1.042 200 C CA -0.014 58.835 59.018 -0.282 0.000 1.396 200 C CB -1.197 26.406 27.740 -0.227 0.000 1.870 200 C HN 0.655 nan 8.230 nan 0.000 0.470 201 A N 4.244 126.977 122.820 -0.145 0.000 2.380 201 A HA 0.985 5.305 4.320 -0.000 0.000 0.315 201 A C 0.552 178.122 177.584 -0.023 0.000 1.101 201 A CA 0.636 52.628 52.037 -0.076 0.000 0.771 201 A CB 0.969 20.020 19.000 0.085 0.000 1.287 201 A HN 2.620 nan 8.150 nan 0.000 0.436 202 G N 0.558 109.357 108.800 -0.002 0.000 2.553 202 G HA2 0.159 4.119 3.960 -0.000 0.000 0.242 202 G HA3 0.159 4.119 3.960 -0.000 0.000 0.242 202 G C 1.233 176.018 174.900 -0.192 0.000 1.277 202 G CA 0.580 45.650 45.100 -0.049 0.000 0.910 202 G HN 2.075 nan 8.290 nan 0.000 0.576 203 G N -0.007 108.687 108.800 -0.176 0.000 2.505 203 G HA2 0.117 4.077 3.960 -0.000 0.000 0.220 203 G HA3 0.117 4.077 3.960 -0.000 0.000 0.220 203 G C 2.284 177.087 174.900 -0.161 0.000 1.145 203 G CA 3.490 48.525 45.100 -0.109 0.000 0.761 203 G HN 2.179 nan 8.290 nan 0.000 0.571 204 A N 0.741 123.334 122.820 -0.378 0.000 1.894 204 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 204 A C 2.844 180.411 177.584 -0.029 0.000 1.237 204 A CA 3.785 55.737 52.037 -0.141 0.000 0.660 204 A CB -1.331 17.651 19.000 -0.029 0.000 0.835 204 A HN 1.218 nan 8.150 nan 0.000 0.461 205 V N -3.412 116.386 119.914 -0.194 0.000 2.363 205 V HA -0.367 3.753 4.120 -0.000 0.000 0.254 205 V C 2.249 178.239 176.094 -0.174 0.000 1.074 205 V CA 2.543 64.697 62.300 -0.243 0.000 1.069 205 V CB -1.635 29.956 31.823 -0.386 0.000 0.659 205 V HN 0.554 nan 8.190 nan 0.000 0.455 206 Y N 1.091 121.382 120.300 -0.015 0.000 2.384 206 Y HA -0.091 4.459 4.550 -0.000 0.000 0.289 206 Y C 3.096 178.995 175.900 -0.001 0.000 1.152 206 Y CA 1.179 59.207 58.100 -0.119 0.000 1.258 206 Y CB -1.156 37.052 38.460 -0.420 0.000 0.979 206 Y HN 0.412 nan 8.280 nan 0.000 0.549 207 S N -0.106 115.845 115.700 0.419 0.000 2.325 207 S HA -0.076 4.394 4.470 -0.000 0.000 0.213 207 S C -0.406 174.316 174.600 0.203 0.000 1.031 207 S CA 1.104 59.552 58.200 0.414 0.000 0.984 207 S CB -1.135 62.307 63.200 0.402 0.000 0.939 207 S HN 0.165 nan 8.310 nan 0.000 0.438 208 P HA -0.082 nan 4.420 nan 0.000 0.217 208 P C 1.351 178.654 177.300 0.005 0.000 1.148 208 P CA 1.596 64.734 63.100 0.063 0.000 0.834 208 P CB -0.226 31.481 31.700 0.012 0.000 0.783 209 A N -1.026 121.799 122.820 0.008 0.000 1.917 209 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 209 A C 2.028 179.597 177.584 -0.025 0.000 1.182 209 A CA 2.126 54.151 52.037 -0.019 0.000 0.633 209 A CB -1.383 17.649 19.000 0.053 0.000 0.819 209 A HN 0.191 nan 8.150 nan 0.000 0.448 210 M N 0.127 119.736 119.600 0.015 0.000 2.502 210 M HA 0.036 4.516 4.480 -0.000 0.000 0.243 210 M C 0.847 177.155 176.300 0.012 0.000 1.130 210 M CA 0.586 55.889 55.300 0.005 0.000 1.055 210 M CB -0.099 32.517 32.600 0.027 0.000 1.457 210 M HN 0.520 nan 8.290 nan 0.000 0.488 211 T N -2.458 112.104 114.554 0.013 0.000 2.788 211 T HA 0.112 4.462 4.350 -0.000 0.000 0.287 211 T C 0.682 175.315 174.700 -0.112 0.000 1.007 211 T CA -0.678 61.430 62.100 0.013 0.000 1.005 211 T CB 0.971 69.874 68.868 0.059 0.000 1.012 211 T HN 0.082 nan 8.240 nan 0.000 0.530 212 D N -0.314 119.990 120.400 -0.160 0.000 2.269 212 D HA 0.109 4.749 4.640 -0.000 0.000 0.208 212 D C -0.202 175.382 176.300 -1.194 0.000 0.963 212 D CA 1.108 54.763 54.000 -0.576 0.000 0.864 212 D CB -0.088 40.405 40.800 -0.511 0.000 0.936 212 D HN 0.471 nan 8.370 nan 0.000 0.505 213 F N -0.510 119.279 119.950 -0.269 0.000 2.619 213 F HA 0.442 4.969 4.527 -0.000 0.000 0.308 213 F C -0.400 175.113 175.800 -0.479 0.000 1.097 213 F CA -0.881 56.850 58.000 -0.448 0.000 0.953 213 F CB 2.009 40.706 39.000 -0.504 0.000 1.287 213 F HN -0.372 nan 8.300 nan 0.000 0.446 214 I N 3.287 123.577 120.570 -0.467 0.000 2.476 214 I HA 0.354 4.524 4.170 -0.000 0.000 0.281 214 I C -1.411 174.405 176.117 -0.502 0.000 1.040 214 I CA -0.343 60.735 61.300 -0.371 0.000 1.094 214 I CB 1.193 39.038 38.000 -0.259 0.000 1.219 214 I HN 0.391 nan 8.210 nan 0.000 0.450 215 F N 6.080 126.026 119.950 -0.006 0.000 2.480 215 F HA 0.638 5.165 4.527 -0.000 0.000 0.329 215 F C 0.234 175.992 175.800 -0.071 0.000 1.091 215 F CA -0.654 57.291 58.000 -0.092 0.000 0.972 215 F CB 1.871 40.897 39.000 0.044 0.000 1.150 215 F HN 0.176 nan 8.300 nan 0.000 0.467 216 M N 1.998 121.627 119.600 0.049 0.000 2.644 216 M HA 0.531 5.011 4.480 -0.000 0.000 0.304 216 M C -1.266 175.069 176.300 0.058 0.000 1.215 216 M CA -1.167 54.157 55.300 0.040 0.000 0.871 216 M CB 2.613 35.218 32.600 0.009 0.000 1.740 216 M HN 0.151 nan 8.290 nan 0.000 0.464 217 V N 2.421 122.380 119.914 0.075 0.000 2.318 217 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 217 V C 0.864 176.994 176.094 0.061 0.000 1.030 217 V CA -0.358 62.000 62.300 0.096 0.000 0.844 217 V CB 0.668 32.538 31.823 0.078 0.000 1.015 217 V HN 0.842 nan 8.190 nan 0.000 0.460 218 K N 3.357 123.793 120.400 0.060 0.000 2.298 218 K HA -0.303 4.017 4.320 -0.000 0.000 0.206 218 K C 1.324 177.951 176.600 0.045 0.000 0.807 218 K CA 2.942 59.255 56.287 0.045 0.000 1.023 218 K CB -0.178 32.350 32.500 0.047 0.000 1.086 218 K HN 0.779 nan 8.250 nan 0.000 0.566 219 D N -2.438 117.989 120.400 0.046 0.000 2.449 219 D HA 0.104 4.744 4.640 -0.000 0.000 0.210 219 D C 0.987 177.322 176.300 0.059 0.000 1.094 219 D CA 0.850 54.881 54.000 0.050 0.000 0.846 219 D CB 0.452 41.277 40.800 0.042 0.000 1.003 219 D HN 0.362 nan 8.370 nan 0.000 0.504 220 S N -0.067 115.657 115.700 0.040 0.000 2.575 220 S HA 0.079 4.549 4.470 -0.000 0.000 0.215 220 S C 0.925 175.509 174.600 -0.027 0.000 0.966 220 S CA -0.391 57.819 58.200 0.016 0.000 0.911 220 S CB 0.122 63.318 63.200 -0.007 0.000 0.780 220 S HN 0.069 nan 8.310 nan 0.000 0.514 221 S N 0.490 116.188 115.700 -0.004 0.000 2.638 221 S HA 0.863 5.333 4.470 -0.000 0.000 0.302 221 S C -0.891 173.741 174.600 0.053 0.000 1.096 221 S CA -0.855 57.290 58.200 -0.091 0.000 0.953 221 S CB 1.374 64.527 63.200 -0.078 0.000 1.107 221 S HN 0.877 nan 8.310 nan 0.000 0.503 222 Y N -1.880 118.371 120.300 -0.082 0.000 2.717 222 Y HA 0.658 5.208 4.550 -0.000 0.000 0.345 222 Y C -1.560 174.197 175.900 -0.238 0.000 1.187 222 Y CA -1.498 56.552 58.100 -0.082 0.000 1.128 222 Y CB 0.676 39.108 38.460 -0.047 0.000 1.360 222 Y HN 1.058 nan 8.280 nan 0.000 0.467 223 M N 2.596 122.250 119.600 0.091 0.000 2.413 223 M HA 0.886 5.366 4.480 -0.000 0.000 0.287 223 M C -2.366 173.917 176.300 -0.028 0.000 1.186 223 M CA -0.553 54.633 55.300 -0.190 0.000 0.927 223 M CB 3.057 35.551 32.600 -0.176 0.000 1.715 223 M HN 1.032 nan 8.290 nan 0.000 0.478 224 F N -0.656 119.382 119.950 0.146 0.000 2.703 224 F HA 0.632 5.159 4.527 -0.000 0.000 0.308 224 F C -0.458 175.327 175.800 -0.025 0.000 1.126 224 F CA -1.148 56.897 58.000 0.075 0.000 0.959 224 F CB 0.354 39.399 39.000 0.075 0.000 1.297 224 F HN 0.287 nan 8.300 nan 0.000 0.441 225 V N 0.057 120.083 119.914 0.188 0.000 2.323 225 V HA -0.012 4.108 4.120 -0.000 0.000 0.244 225 V C 0.708 176.888 176.094 0.144 0.000 1.041 225 V CA 2.200 64.522 62.300 0.036 0.000 1.025 225 V CB -0.434 31.373 31.823 -0.027 0.000 0.656 225 V HN 0.901 nan 8.190 nan 0.000 0.451 226 T N -0.313 114.334 114.554 0.154 0.000 2.856 226 T HA 0.614 4.963 4.350 -0.000 0.000 0.283 226 T C 0.177 174.829 174.700 -0.079 0.000 1.008 226 T CA -0.068 62.074 62.100 0.070 0.000 0.997 226 T CB 1.595 70.465 68.868 0.003 0.000 0.992 226 T HN 0.396 nan 8.240 nan 0.000 0.454 227 G N 1.886 110.636 108.800 -0.083 0.000 2.569 227 G HA2 0.369 4.329 3.960 -0.000 0.000 0.249 227 G HA3 0.369 4.329 3.960 -0.000 0.000 0.249 227 G C -1.673 172.982 174.900 -0.408 0.000 1.216 227 G CA -1.363 43.550 45.100 -0.312 0.000 0.845 227 G HN 0.408 nan 8.290 nan 0.000 0.568 228 P HA -0.128 nan 4.420 nan 0.000 0.216 228 P C 1.491 178.676 177.300 -0.192 0.000 1.150 228 P CA 1.564 64.453 63.100 -0.352 0.000 0.843 228 P CB 0.181 31.689 31.700 -0.321 0.000 0.787 229 D N -0.858 119.459 120.400 -0.138 0.000 2.178 229 D HA -0.089 4.551 4.640 -0.000 0.000 0.202 229 D C 1.765 178.024 176.300 -0.069 0.000 0.974 229 D CA 1.019 54.971 54.000 -0.080 0.000 0.841 229 D CB -1.064 39.708 40.800 -0.045 0.000 0.953 229 D HN 0.071 nan 8.370 nan 0.000 0.478 230 V N 0.876 120.744 119.914 -0.076 0.000 2.591 230 V HA -0.149 3.970 4.120 -0.000 0.000 0.249 230 V C 2.863 178.917 176.094 -0.067 0.000 1.053 230 V CA 0.721 62.987 62.300 -0.055 0.000 1.068 230 V CB -0.066 31.733 31.823 -0.039 0.000 0.689 230 V HN 0.076 nan 8.190 nan 0.000 0.462 231 V N 0.290 120.143 119.914 -0.103 0.000 2.469 231 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 231 V C 2.360 178.410 176.094 -0.074 0.000 1.064 231 V CA 2.380 64.622 62.300 -0.098 0.000 1.066 231 V CB -0.684 31.053 31.823 -0.143 0.000 0.667 231 V HN 0.570 nan 8.190 nan 0.000 0.461 232 K N 0.585 120.941 120.400 -0.073 0.000 1.980 232 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 232 K C 2.345 178.921 176.600 -0.040 0.000 1.043 232 K CA 1.844 58.098 56.287 -0.055 0.000 0.938 232 K CB -0.495 31.973 32.500 -0.053 0.000 0.724 232 K HN 0.575 nan 8.250 nan 0.000 0.438 233 T N -1.529 113.003 114.554 -0.037 0.000 2.918 233 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 233 T C 1.561 176.248 174.700 -0.023 0.000 1.104 233 T CA 1.402 63.486 62.100 -0.026 0.000 1.114 233 T CB -0.017 68.838 68.868 -0.022 0.000 0.855 233 T HN 0.071 nan 8.240 nan 0.000 0.518 234 V N -0.303 119.595 119.914 -0.027 0.000 3.484 234 V HA 0.181 4.301 4.120 -0.000 0.000 0.252 234 V C 2.384 178.464 176.094 -0.023 0.000 1.282 234 V CA 1.006 63.293 62.300 -0.022 0.000 1.104 234 V CB 0.519 32.329 31.823 -0.021 0.000 0.868 234 V HN 0.471 nan 8.190 nan 0.000 0.457 235 T N -0.870 113.666 114.554 -0.030 0.000 2.971 235 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 235 T C 1.023 175.706 174.700 -0.029 0.000 1.022 235 T CA 0.250 62.333 62.100 -0.029 0.000 0.980 235 T CB 0.024 68.871 68.868 -0.036 0.000 1.044 235 T HN 0.304 nan 8.240 nan 0.000 0.501 236 N N 1.643 120.324 118.700 -0.031 0.000 2.828 236 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 236 N C -0.067 175.423 175.510 -0.033 0.000 1.044 236 N CA 0.839 53.872 53.050 -0.029 0.000 0.851 236 N CB -0.591 37.883 38.487 -0.022 0.000 1.136 236 N HN 0.670 nan 8.380 nan 0.000 0.572 237 E N 0.660 120.836 120.200 -0.040 0.000 2.266 237 E HA 0.202 4.552 4.350 -0.000 0.000 0.277 237 E C -0.325 176.242 176.600 -0.055 0.000 1.018 237 E CA -0.380 55.993 56.400 -0.045 0.000 0.840 237 E CB 0.795 30.467 29.700 -0.048 0.000 1.082 237 E HN 0.037 nan 8.360 nan 0.000 0.395 238 Q N 4.152 123.921 119.800 -0.052 0.000 2.333 238 Q HA 0.443 4.783 4.340 -0.000 0.000 0.265 238 Q C -1.952 174.008 176.000 -0.067 0.000 0.989 238 Q CA -0.721 55.047 55.803 -0.058 0.000 0.842 238 Q CB 1.690 30.402 28.738 -0.044 0.000 1.262 238 Q HN 0.449 nan 8.270 nan 0.000 0.451 239 V N 3.104 122.965 119.914 -0.088 0.000 3.048 239 V HA 0.548 4.668 4.120 -0.000 0.000 0.303 239 V C -0.890 175.132 176.094 -0.119 0.000 1.214 239 V CA -0.301 61.940 62.300 -0.098 0.000 0.984 239 V CB 2.563 34.320 31.823 -0.110 0.000 1.054 239 V HN 0.931 nan 8.190 nan 0.000 0.430 240 S N 4.736 120.375 115.700 -0.102 0.000 2.610 240 S HA 0.668 5.138 4.470 -0.000 0.000 0.273 240 S C 1.351 175.865 174.600 -0.144 0.000 1.274 240 S CA 0.178 58.313 58.200 -0.108 0.000 1.023 240 S CB 1.659 64.817 63.200 -0.070 0.000 0.962 240 S HN 1.857 nan 8.310 nan 0.000 0.523 241 A N 1.567 124.280 122.820 -0.177 0.000 1.884 241 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 241 A C 2.084 179.589 177.584 -0.131 0.000 1.197 241 A CA 2.314 54.218 52.037 -0.221 0.000 0.637 241 A CB -1.544 17.176 19.000 -0.466 0.000 0.827 241 A HN 1.028 nan 8.150 nan 0.000 0.450 242 E N 0.209 120.348 120.200 -0.102 0.000 2.130 242 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 242 E C 1.823 178.408 176.600 -0.025 0.000 0.998 242 E CA 2.078 58.467 56.400 -0.020 0.000 0.806 242 E CB -0.346 29.355 29.700 0.003 0.000 0.738 242 E HN 0.749 nan 8.360 nan 0.000 0.459 243 E N -0.633 119.536 120.200 -0.052 0.000 2.046 243 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 243 E C 2.000 178.554 176.600 -0.076 0.000 0.982 243 E CA 0.901 57.266 56.400 -0.059 0.000 0.800 243 E CB -0.193 29.468 29.700 -0.065 0.000 0.756 243 E HN 0.206 nan 8.360 nan 0.000 0.449 244 L N -0.096 121.074 121.223 -0.089 0.000 1.976 244 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 244 L C 1.350 178.208 176.870 -0.020 0.000 1.071 244 L CA 2.179 56.962 54.840 -0.096 0.000 0.746 244 L CB -0.340 41.569 42.059 -0.249 0.000 0.890 244 L HN 0.106 nan 8.230 nan 0.000 0.432 245 G N -0.836 108.052 108.800 0.147 0.000 4.855 245 G HA2 0.512 4.471 3.960 -0.000 0.000 0.275 245 G HA3 0.512 4.471 3.960 -0.000 0.000 0.275 245 G C -0.018 174.952 174.900 0.116 0.000 1.282 245 G CA 0.092 45.233 45.100 0.068 0.000 0.930 245 G HN 0.601 nan 8.290 nan 0.000 0.575 246 G N -0.472 108.333 108.800 0.008 0.000 2.477 246 G HA2 0.554 4.514 3.960 -0.000 0.000 0.304 246 G HA3 0.554 4.514 3.960 -0.000 0.000 0.304 246 G C 1.253 176.196 174.900 0.073 0.000 1.175 246 G CA 0.293 45.446 45.100 0.089 0.000 0.907 246 G HN 0.636 nan 8.290 nan 0.000 0.509 247 A N 0.395 123.272 122.820 0.095 0.000 1.915 247 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 247 A C 2.456 180.069 177.584 0.049 0.000 1.198 247 A CA 2.877 54.959 52.037 0.074 0.000 0.647 247 A CB -1.120 17.906 19.000 0.044 0.000 0.825 247 A HN 0.606 nan 8.150 nan 0.000 0.456 248 T N -0.463 114.106 114.554 0.025 0.000 2.777 248 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 248 T C 2.020 176.723 174.700 0.006 0.000 1.040 248 T CA 1.823 63.932 62.100 0.015 0.000 1.141 248 T CB -0.602 68.271 68.868 0.008 0.000 0.868 248 T HN 0.622 nan 8.240 nan 0.000 0.444 249 T N 1.259 115.787 114.554 -0.043 0.000 2.699 249 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 249 T C 1.758 176.402 174.700 -0.093 0.000 1.036 249 T CA 1.307 63.341 62.100 -0.109 0.000 1.147 249 T CB -0.355 68.370 68.868 -0.239 0.000 0.862 249 T HN 0.453 nan 8.240 nan 0.000 0.446 250 H N 0.859 119.936 119.070 0.012 0.000 2.448 250 H HA 0.072 4.628 4.556 -0.000 0.000 0.292 250 H C 2.688 177.982 175.328 -0.056 0.000 1.035 250 H CA 1.674 57.707 56.048 -0.026 0.000 1.349 250 H CB -0.572 29.167 29.762 -0.038 0.000 1.425 250 H HN 0.518 nan 8.280 nan 0.000 0.539 251 T N -0.575 114.033 114.554 0.089 0.000 3.118 251 T HA -0.013 4.336 4.350 -0.000 0.000 0.260 251 T C 1.478 176.241 174.700 0.105 0.000 1.139 251 T CA 0.469 62.590 62.100 0.035 0.000 1.085 251 T CB 0.067 68.938 68.868 0.004 0.000 0.934 251 T HN 0.528 nan 8.240 nan 0.000 0.518 252 R N -1.036 119.554 120.500 0.150 0.000 2.468 252 R HA 0.429 4.769 4.340 -0.000 0.000 0.352 252 R C 1.266 177.723 176.300 0.262 0.000 0.858 252 R CA -0.415 55.830 56.100 0.241 0.000 1.108 252 R CB 0.080 30.449 30.300 0.115 0.000 1.741 252 R HN 0.224 nan 8.270 nan 0.000 0.504 253 K N 1.013 121.547 120.400 0.223 0.000 2.410 253 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 253 K C 1.535 178.267 176.600 0.221 0.000 1.268 253 K CA 0.997 57.388 56.287 0.174 0.000 0.896 253 K CB 0.534 33.071 32.500 0.062 0.000 1.401 253 K HN 0.107 nan 8.250 nan 0.000 0.479 254 S N 0.335 116.131 115.700 0.160 0.000 2.436 254 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 254 S C 0.961 175.558 174.600 -0.004 0.000 1.014 254 S CA 0.980 59.261 58.200 0.135 0.000 0.950 254 S CB 0.044 63.404 63.200 0.267 0.000 0.784 254 S HN 0.508 nan 8.310 nan 0.000 0.504 255 S N -1.168 114.368 115.700 -0.274 0.000 3.244 255 S HA -0.169 4.301 4.470 -0.000 0.000 0.279 255 S C 0.731 175.013 174.600 -0.530 0.000 1.293 255 S CA 0.556 58.171 58.200 -0.975 0.000 0.990 255 S CB -2.568 60.151 63.200 -0.801 0.000 1.202 255 S HN 0.592 nan 8.310 nan 0.000 0.666 256 V N 0.820 120.557 119.914 -0.295 0.000 2.426 256 V HA 0.494 4.614 4.120 -0.000 0.000 0.242 256 V C 1.950 177.864 176.094 -0.299 0.000 1.036 256 V CA 1.272 63.397 62.300 -0.291 0.000 1.044 256 V CB -0.822 30.760 31.823 -0.402 0.000 0.688 256 V HN 1.086 nan 8.190 nan 0.000 0.462 257 A N 0.029 122.704 122.820 -0.241 0.000 2.286 257 A HA 0.313 4.632 4.320 -0.000 0.000 0.286 257 A C 0.619 178.066 177.584 -0.229 0.000 1.097 257 A CA -0.215 51.690 52.037 -0.218 0.000 0.821 257 A CB 0.261 19.187 19.000 -0.123 0.000 1.076 257 A HN 0.390 nan 8.150 nan 0.000 0.490 258 D N -0.165 120.072 120.400 -0.271 0.000 2.367 258 D HA 0.399 5.039 4.640 -0.000 0.000 0.207 258 D C 0.275 176.514 176.300 -0.101 0.000 1.034 258 D CA 1.457 55.331 54.000 -0.210 0.000 0.861 258 D CB 0.631 41.251 40.800 -0.299 0.000 0.943 258 D HN 0.777 nan 8.370 nan 0.000 0.515 259 A N 0.141 122.888 122.820 -0.122 0.000 2.571 259 A HA 0.579 4.899 4.320 -0.000 0.000 0.296 259 A C -1.773 175.614 177.584 -0.328 0.000 1.005 259 A CA -0.387 51.531 52.037 -0.198 0.000 0.682 259 A CB 0.832 19.684 19.000 -0.247 0.000 1.292 259 A HN -0.000 nan 8.150 nan 0.000 0.420 260 A N 1.316 123.949 122.820 -0.312 0.000 2.285 260 A HA 0.741 5.061 4.320 -0.000 0.000 0.310 260 A C -0.646 176.808 177.584 -0.218 0.000 1.266 260 A CA -0.361 51.539 52.037 -0.228 0.000 0.832 260 A CB -0.127 18.828 19.000 -0.075 0.000 1.163 260 A HN 0.834 nan 8.150 nan 0.000 0.499 261 F N 0.789 120.752 119.950 0.022 0.000 2.389 261 F HA 0.210 4.737 4.527 -0.000 0.000 0.337 261 F C 1.622 177.413 175.800 -0.016 0.000 1.112 261 F CA -0.283 57.704 58.000 -0.021 0.000 1.192 261 F CB 1.015 39.985 39.000 -0.049 0.000 1.185 261 F HN 0.762 nan 8.300 nan 0.000 0.552 262 E N 1.404 121.726 120.200 0.204 0.000 2.118 262 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 262 E C -0.495 176.150 176.600 0.074 0.000 0.992 262 E CA 1.501 57.960 56.400 0.098 0.000 0.804 262 E CB -0.025 29.712 29.700 0.062 0.000 0.741 262 E HN 0.736 nan 8.360 nan 0.000 0.458 263 N N -3.024 115.720 118.700 0.073 0.000 3.185 263 N HA 0.101 4.841 4.740 -0.000 0.000 0.238 263 N C -0.522 175.001 175.510 0.021 0.000 1.451 263 N CA -0.209 52.865 53.050 0.041 0.000 0.888 263 N CB 0.212 38.709 38.487 0.017 0.000 1.413 263 N HN -0.345 nan 8.380 nan 0.000 0.511 264 D N -0.343 120.063 120.400 0.010 0.000 2.149 264 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 264 D C 1.558 177.825 176.300 -0.055 0.000 1.001 264 D CA 1.550 55.542 54.000 -0.012 0.000 0.849 264 D CB -0.104 40.692 40.800 -0.005 0.000 0.939 264 D HN 0.358 nan 8.370 nan 0.000 0.449 265 V N 0.518 120.397 119.914 -0.058 0.000 2.307 265 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 265 V C 2.199 178.209 176.094 -0.139 0.000 1.045 265 V CA 1.684 63.931 62.300 -0.088 0.000 1.024 265 V CB -0.382 31.399 31.823 -0.069 0.000 0.651 265 V HN 0.230 nan 8.190 nan 0.000 0.449 266 E N 0.071 120.184 120.200 -0.145 0.000 2.150 266 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 266 E C 2.311 178.623 176.600 -0.479 0.000 0.985 266 E CA 1.093 57.352 56.400 -0.236 0.000 0.814 266 E CB -0.293 29.308 29.700 -0.165 0.000 0.752 266 E HN 0.595 nan 8.360 nan 0.000 0.466 267 A N 1.575 124.145 122.820 -0.416 0.000 1.873 267 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 267 A C 2.211 179.461 177.584 -0.557 0.000 1.193 267 A CA 1.294 52.959 52.037 -0.620 0.000 0.629 267 A CB -0.820 18.166 19.000 -0.022 0.000 0.826 267 A HN 0.153 nan 8.150 nan 0.000 0.447 268 L N -0.953 120.093 121.223 -0.295 0.000 2.046 268 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 268 L C 3.135 179.853 176.870 -0.253 0.000 1.077 268 L CA 1.084 55.786 54.840 -0.229 0.000 0.747 268 L CB -0.661 41.304 42.059 -0.158 0.000 0.896 268 L HN 0.486 nan 8.230 nan 0.000 0.432 269 A N -0.217 122.443 122.820 -0.267 0.000 1.865 269 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 269 A C 2.195 179.634 177.584 -0.243 0.000 1.191 269 A CA 1.554 53.461 52.037 -0.218 0.000 0.623 269 A CB -0.428 18.456 19.000 -0.193 0.000 0.826 269 A HN 0.338 nan 8.150 nan 0.000 0.444 270 E N -0.151 119.803 120.200 -0.411 0.000 2.153 270 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 270 E C 2.164 178.605 176.600 -0.265 0.000 0.988 270 E CA 1.223 57.392 56.400 -0.385 0.000 0.811 270 E CB -0.566 28.567 29.700 -0.945 0.000 0.746 270 E HN 0.398 nan 8.360 nan 0.000 0.466 271 V N 1.316 121.003 119.914 -0.378 0.000 2.427 271 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 271 V C 2.366 178.354 176.094 -0.176 0.000 1.051 271 V CA 1.554 63.691 62.300 -0.273 0.000 1.048 271 V CB -0.381 31.322 31.823 -0.200 0.000 0.666 271 V HN 0.200 nan 8.190 nan 0.000 0.456 272 R N -0.316 120.095 120.500 -0.149 0.000 2.073 272 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 272 R C 2.555 178.802 176.300 -0.089 0.000 1.134 272 R CA 1.393 57.430 56.100 -0.105 0.000 0.952 272 R CB -0.487 29.756 30.300 -0.094 0.000 0.850 272 R HN 0.333 nan 8.270 nan 0.000 0.433 273 R N 1.169 121.631 120.500 -0.063 0.000 2.113 273 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 273 R C 2.302 178.571 176.300 -0.053 0.000 1.142 273 R CA 1.620 57.733 56.100 0.020 0.000 0.953 273 R CB -0.487 29.914 30.300 0.169 0.000 0.860 273 R HN 0.173 nan 8.270 nan 0.000 0.438 274 L N 0.578 121.597 121.223 -0.340 0.000 2.005 274 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 274 L C 2.284 178.986 176.870 -0.280 0.000 1.072 274 L CA 1.519 55.949 54.840 -0.683 0.000 0.744 274 L CB -0.592 41.029 42.059 -0.731 0.000 0.895 274 L HN -0.073 nan 8.230 nan 0.000 0.433 275 V N 0.242 120.050 119.914 -0.177 0.000 2.380 275 V HA -0.326 3.794 4.120 -0.000 0.000 0.251 275 V C 2.150 178.200 176.094 -0.073 0.000 1.063 275 V CA 2.011 64.249 62.300 -0.103 0.000 1.055 275 V CB -0.967 30.818 31.823 -0.064 0.000 0.657 275 V HN 0.508 nan 8.190 nan 0.000 0.455 276 D N -0.776 119.587 120.400 -0.063 0.000 2.311 276 D HA -0.158 4.482 4.640 -0.000 0.000 0.212 276 D C 1.834 178.040 176.300 -0.158 0.000 0.972 276 D CA 1.344 55.283 54.000 -0.102 0.000 0.887 276 D CB -0.117 40.603 40.800 -0.133 0.000 0.915 276 D HN 0.523 nan 8.370 nan 0.000 0.497 277 F N 0.177 119.975 119.950 -0.254 0.000 2.374 277 F HA 0.139 4.666 4.527 -0.000 0.000 0.291 277 F C 1.304 176.922 175.800 -0.304 0.000 1.084 277 F CA -0.085 57.738 58.000 -0.296 0.000 1.413 277 F CB 0.101 38.814 39.000 -0.478 0.000 1.099 277 F HN -0.232 nan 8.300 nan 0.000 0.534 278 L N 2.493 123.658 121.223 -0.097 0.000 2.461 278 L HA 0.157 4.497 4.340 -0.000 0.000 0.272 278 L C -2.084 174.734 176.870 -0.087 0.000 1.197 278 L CA -1.920 52.840 54.840 -0.134 0.000 0.836 278 L CB -0.129 41.858 42.059 -0.120 0.000 1.105 278 L HN -0.190 nan 8.230 nan 0.000 0.477 279 P HA 0.150 nan 4.420 nan 0.000 0.281 279 P C 0.375 177.678 177.300 0.005 0.000 1.249 279 P CA -0.531 62.560 63.100 -0.015 0.000 0.810 279 P CB 1.212 32.931 31.700 0.032 0.000 1.008 280 L N 0.868 122.115 121.223 0.041 0.000 2.456 280 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 280 L C 0.814 177.760 176.870 0.126 0.000 1.148 280 L CA 1.210 56.092 54.840 0.071 0.000 0.825 280 L CB -0.905 41.197 42.059 0.072 0.000 0.937 280 L HN 0.631 nan 8.230 nan 0.000 0.450 281 N N -3.947 114.856 118.700 0.172 0.000 3.501 281 N HA -0.046 4.694 4.740 -0.000 0.000 0.235 281 N C -0.159 175.503 175.510 0.253 0.000 1.442 281 N CA -0.374 52.832 53.050 0.260 0.000 0.872 281 N CB -0.202 38.378 38.487 0.155 0.000 1.414 281 N HN -0.148 nan 8.380 nan 0.000 0.485 282 N N -0.819 117.957 118.700 0.127 0.000 2.571 282 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 282 N C 0.476 175.965 175.510 -0.036 0.000 1.154 282 N CA 0.536 53.543 53.050 -0.072 0.000 0.907 282 N CB 0.008 38.299 38.487 -0.326 0.000 0.977 282 N HN 0.403 nan 8.380 nan 0.000 0.449 283 R N 0.490 120.998 120.500 0.014 0.000 2.103 283 R HA 0.110 4.450 4.340 -0.000 0.000 0.212 283 R C 0.453 176.764 176.300 0.017 0.000 1.107 283 R CA 0.513 56.618 56.100 0.008 0.000 1.025 283 R CB -0.325 29.984 30.300 0.014 0.000 0.929 283 R HN 0.687 nan 8.270 nan 0.000 0.456 284 E N 1.488 121.708 120.200 0.034 0.000 2.345 284 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 284 E C -0.496 176.122 176.600 0.030 0.000 1.117 284 E CA -0.422 55.995 56.400 0.029 0.000 0.913 284 E CB 1.131 30.850 29.700 0.032 0.000 1.057 284 E HN -0.165 nan 8.360 nan 0.000 0.432 285 K N 0.719 121.131 120.400 0.019 0.000 2.177 285 K HA 0.328 4.648 4.320 -0.000 0.000 0.238 285 K C -2.295 174.309 176.600 0.006 0.000 1.015 285 K CA -2.173 54.123 56.287 0.015 0.000 0.922 285 K CB 0.448 32.954 32.500 0.009 0.000 1.127 285 K HN 0.406 nan 8.250 nan 0.000 0.469 286 P HA -0.061 nan 4.420 nan 0.000 0.263 286 P C -2.349 174.931 177.300 -0.035 0.000 1.168 286 P CA -0.514 62.571 63.100 -0.024 0.000 0.759 286 P CB -0.442 31.240 31.700 -0.031 0.000 0.782 287 P HA 0.025 nan 4.420 nan 0.000 0.270 287 P C -0.793 176.464 177.300 -0.071 0.000 1.223 287 P CA 0.238 63.307 63.100 -0.053 0.000 0.785 287 P CB 0.580 32.242 31.700 -0.064 0.000 0.923 288 V N 1.999 121.877 119.914 -0.060 0.000 2.864 288 V HA 0.755 4.875 4.120 -0.000 0.000 0.314 288 V C 0.460 176.517 176.094 -0.061 0.000 1.073 288 V CA -0.691 61.571 62.300 -0.065 0.000 0.956 288 V CB 1.658 33.458 31.823 -0.038 0.000 1.023 288 V HN 0.858 nan 8.190 nan 0.000 0.435 289 R N 2.089 122.551 120.500 -0.063 0.000 2.733 289 R HA 0.637 4.977 4.340 -0.000 0.000 0.272 289 R C -3.325 172.956 176.300 -0.032 0.000 1.029 289 R CA -1.685 54.379 56.100 -0.060 0.000 0.888 289 R CB 1.218 31.459 30.300 -0.098 0.000 1.251 289 R HN 0.447 nan 8.270 nan 0.000 0.464 290 P HA 0.106 nan 4.420 nan 0.000 0.267 290 P C -1.297 175.814 177.300 -0.314 0.000 1.200 290 P CA 0.042 63.019 63.100 -0.204 0.000 0.772 290 P CB 0.128 31.648 31.700 -0.301 0.000 0.855 291 F N -0.385 119.217 119.950 -0.579 0.000 2.607 291 F HA 0.542 5.068 4.527 -0.000 0.000 0.322 291 F C -1.336 174.206 175.800 -0.429 0.000 1.176 291 F CA -1.210 56.477 58.000 -0.522 0.000 0.977 291 F CB 0.699 39.565 39.000 -0.223 0.000 1.242 291 F HN 0.040 nan 8.300 nan 0.000 0.465 292 F N 3.439 123.362 119.950 -0.045 0.000 2.467 292 F HA 0.438 4.965 4.527 -0.000 0.000 0.349 292 F C 0.046 175.850 175.800 0.005 0.000 1.182 292 F CA -0.285 57.656 58.000 -0.099 0.000 1.279 292 F CB -0.046 38.926 39.000 -0.046 0.000 1.626 292 F HN 0.583 nan 8.300 nan 0.000 0.596 293 D N 0.600 121.077 120.400 0.130 0.000 2.671 293 D HA 0.119 4.759 4.640 -0.000 0.000 0.273 293 D C -1.980 174.449 176.300 0.215 0.000 1.264 293 D CA -0.502 53.628 54.000 0.216 0.000 0.788 293 D CB 2.671 43.654 40.800 0.305 0.000 1.324 293 D HN 0.257 nan 8.370 nan 0.000 0.424 294 D N 0.550 121.068 120.400 0.197 0.000 2.391 294 D HA 0.387 5.027 4.640 -0.000 0.000 0.245 294 D C -1.668 174.749 176.300 0.195 0.000 1.069 294 D CA -1.992 52.122 54.000 0.190 0.000 0.831 294 D CB 2.393 43.258 40.800 0.108 0.000 1.204 294 D HN -0.065 nan 8.370 nan 0.000 0.503 295 P HA -0.082 nan 4.420 nan 0.000 0.223 295 P C -0.126 177.233 177.300 0.098 0.000 1.144 295 P CA 0.787 63.971 63.100 0.139 0.000 0.783 295 P CB 0.392 32.170 31.700 0.130 0.000 0.771 296 D N -0.676 119.780 120.400 0.094 0.000 2.358 296 D HA 0.042 4.682 4.640 -0.000 0.000 0.224 296 D C 0.878 177.214 176.300 0.060 0.000 1.123 296 D CA -0.147 53.892 54.000 0.066 0.000 0.833 296 D CB -0.159 40.676 40.800 0.059 0.000 0.946 296 D HN 0.198 nan 8.370 nan 0.000 0.505 297 R N 1.043 121.587 120.500 0.073 0.000 2.522 297 R HA 0.170 4.510 4.340 -0.000 0.000 0.284 297 R C -0.506 175.823 176.300 0.049 0.000 1.032 297 R CA 0.025 56.164 56.100 0.065 0.000 1.049 297 R CB 0.278 30.628 30.300 0.083 0.000 0.956 297 R HN -0.213 nan 8.270 nan 0.000 0.422 298 I N 3.342 123.933 120.570 0.036 0.000 2.412 298 I HA 0.220 4.390 4.170 -0.000 0.000 0.296 298 I C -0.416 175.713 176.117 0.020 0.000 0.987 298 I CA -0.130 61.181 61.300 0.020 0.000 1.180 298 I CB 1.978 39.981 38.000 0.005 0.000 1.340 298 I HN 0.548 nan 8.210 nan 0.000 0.455 299 E N 7.254 127.462 120.200 0.012 0.000 2.331 299 E HA 0.286 4.636 4.350 -0.000 0.000 0.243 299 E C -2.143 174.443 176.600 -0.023 0.000 0.925 299 E CA -1.640 54.768 56.400 0.013 0.000 0.760 299 E CB 1.462 31.186 29.700 0.041 0.000 1.254 299 E HN 0.271 nan 8.360 nan 0.000 0.419 300 P HA -0.112 nan 4.420 nan 0.000 0.221 300 P C 1.230 178.493 177.300 -0.063 0.000 1.150 300 P CA 0.897 63.965 63.100 -0.054 0.000 0.800 300 P CB 0.382 32.060 31.700 -0.036 0.000 0.787 301 S N 0.150 115.829 115.700 -0.034 0.000 2.383 301 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 301 S C 1.866 176.437 174.600 -0.049 0.000 1.030 301 S CA 1.171 59.356 58.200 -0.025 0.000 1.002 301 S CB -1.617 61.587 63.200 0.007 0.000 0.829 301 S HN 0.139 nan 8.310 nan 0.000 0.467 302 L N 1.584 122.769 121.223 -0.065 0.000 2.079 302 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 302 L C 2.002 178.693 176.870 -0.299 0.000 1.081 302 L CA 1.310 56.077 54.840 -0.122 0.000 0.752 302 L CB -0.850 41.142 42.059 -0.110 0.000 0.896 302 L HN 0.185 nan 8.230 nan 0.000 0.433 303 D N -0.543 119.690 120.400 -0.278 0.000 2.357 303 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 303 D C 1.734 177.895 176.300 -0.231 0.000 0.973 303 D CA 1.590 55.406 54.000 -0.307 0.000 0.912 303 D CB -0.007 40.670 40.800 -0.205 0.000 0.900 303 D HN 0.446 nan 8.370 nan 0.000 0.501 304 T N -3.358 111.096 114.554 -0.166 0.000 3.170 304 T HA 0.119 4.469 4.350 -0.000 0.000 0.288 304 T C 1.395 176.042 174.700 -0.089 0.000 0.992 304 T CA -0.413 61.623 62.100 -0.108 0.000 0.909 304 T CB -0.116 68.714 68.868 -0.064 0.000 1.133 304 T HN -0.046 nan 8.240 nan 0.000 0.530 305 L N 2.220 123.377 121.223 -0.109 0.000 2.046 305 L HA 0.303 4.643 4.340 -0.000 0.000 0.208 305 L C 0.679 177.411 176.870 -0.231 0.000 1.077 305 L CA 1.342 56.134 54.840 -0.080 0.000 0.747 305 L CB -0.375 41.696 42.059 0.020 0.000 0.896 305 L HN 0.214 nan 8.230 nan 0.000 0.432 306 V N 3.609 123.377 119.914 -0.244 0.000 2.415 306 V HA 0.181 4.301 4.120 -0.000 0.000 0.267 306 V C -1.802 174.226 176.094 -0.110 0.000 1.042 306 V CA -1.402 60.710 62.300 -0.314 0.000 1.000 306 V CB -0.223 31.536 31.823 -0.107 0.000 1.015 306 V HN 0.297 nan 8.190 nan 0.000 0.478 307 P HA 0.076 nan 4.420 nan 0.000 0.270 307 P C 0.438 177.758 177.300 0.034 0.000 1.223 307 P CA -0.116 63.002 63.100 0.029 0.000 0.785 307 P CB 1.247 33.000 31.700 0.087 0.000 0.923 308 D N 0.303 120.721 120.400 0.030 0.000 2.084 308 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 308 D C 0.782 177.111 176.300 0.047 0.000 0.985 308 D CA 1.394 55.414 54.000 0.033 0.000 0.826 308 D CB -0.331 40.484 40.800 0.024 0.000 0.978 308 D HN 0.478 nan 8.370 nan 0.000 0.456 309 N N 1.765 120.494 118.700 0.048 0.000 2.452 309 N HA -0.030 4.710 4.740 -0.000 0.000 0.266 309 N C -1.758 173.794 175.510 0.070 0.000 1.209 309 N CA -0.899 52.183 53.050 0.053 0.000 0.929 309 N CB 1.410 39.924 38.487 0.046 0.000 1.063 309 N HN -0.076 nan 8.380 nan 0.000 0.472 310 P HA -0.016 nan 4.420 nan 0.000 0.237 310 P C -0.394 176.951 177.300 0.076 0.000 1.178 310 P CA 0.818 63.971 63.100 0.087 0.000 0.766 310 P CB 0.280 32.030 31.700 0.084 0.000 0.876 311 N N -1.074 117.661 118.700 0.059 0.000 2.280 311 N HA 0.031 4.771 4.740 -0.000 0.000 0.192 311 N C 0.025 175.565 175.510 0.050 0.000 1.109 311 N CA 0.468 53.544 53.050 0.044 0.000 0.855 311 N CB -0.080 38.425 38.487 0.029 0.000 0.974 311 N HN -0.024 nan 8.380 nan 0.000 0.482 312 T N 2.091 116.688 114.554 0.073 0.000 2.749 312 T HA 0.363 4.713 4.350 -0.000 0.000 0.287 312 T C -2.280 172.497 174.700 0.129 0.000 0.970 312 T CA -1.433 60.717 62.100 0.083 0.000 0.980 312 T CB 1.867 70.784 68.868 0.083 0.000 0.924 312 T HN -0.075 nan 8.240 nan 0.000 0.456 313 P HA 0.394 nan 4.420 nan 0.000 0.302 313 P C -1.330 176.086 177.300 0.194 0.000 1.301 313 P CA -0.268 62.871 63.100 0.066 0.000 0.745 313 P CB 0.373 32.056 31.700 -0.029 0.000 1.331 314 Y N -4.337 115.986 120.300 0.038 0.000 2.662 314 Y HA 0.438 4.988 4.550 -0.000 0.000 0.334 314 Y C -1.583 174.343 175.900 0.042 0.000 1.185 314 Y CA -1.333 56.795 58.100 0.048 0.000 1.074 314 Y CB 0.151 38.652 38.460 0.069 0.000 1.330 314 Y HN 0.073 nan 8.280 nan 0.000 0.458 315 D N 2.713 123.172 120.400 0.098 0.000 2.380 315 D HA 0.106 4.746 4.640 -0.000 0.000 0.230 315 D C 0.845 177.180 176.300 0.059 0.000 1.154 315 D CA -0.209 53.794 54.000 0.006 0.000 0.859 315 D CB 1.451 42.289 40.800 0.064 0.000 1.045 315 D HN 0.814 nan 8.370 nan 0.000 0.495 316 M N 4.389 123.926 119.600 -0.104 0.000 2.255 316 M HA -0.194 4.286 4.480 -0.000 0.000 0.259 316 M C 1.377 177.692 176.300 0.026 0.000 1.071 316 M CA 1.713 57.016 55.300 0.004 0.000 1.074 316 M CB -0.082 32.456 32.600 -0.103 0.000 1.384 316 M HN 0.254 nan 8.290 nan 0.000 0.415 317 K N -0.619 119.791 120.400 0.017 0.000 2.283 317 K HA -0.183 4.137 4.320 -0.000 0.000 0.202 317 K C 1.929 178.614 176.600 0.141 0.000 1.048 317 K CA 1.317 57.613 56.287 0.015 0.000 0.948 317 K CB -0.230 32.340 32.500 0.116 0.000 0.742 317 K HN 0.592 nan 8.250 nan 0.000 0.458 318 E N 1.137 121.443 120.200 0.177 0.000 2.031 318 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 318 E C 1.999 178.704 176.600 0.175 0.000 0.994 318 E CA 0.832 57.355 56.400 0.204 0.000 0.800 318 E CB 0.009 29.821 29.700 0.187 0.000 0.752 318 E HN 0.109 nan 8.360 nan 0.000 0.447 319 L N 1.475 122.793 121.223 0.158 0.000 1.990 319 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 319 L C 2.175 179.070 176.870 0.042 0.000 1.072 319 L CA 1.760 56.684 54.840 0.140 0.000 0.755 319 L CB -0.624 41.514 42.059 0.133 0.000 0.889 319 L HN 0.289 nan 8.230 nan 0.000 0.432 320 I N -1.012 119.503 120.570 -0.092 0.000 2.118 320 I HA -0.395 3.775 4.170 -0.000 0.000 0.241 320 I C 2.551 178.537 176.117 -0.218 0.000 1.070 320 I CA 1.681 62.808 61.300 -0.289 0.000 1.327 320 I CB -0.773 36.802 38.000 -0.708 0.000 1.034 320 I HN 0.435 nan 8.210 nan 0.000 0.405 321 H N 1.191 120.230 119.070 -0.051 0.000 2.387 321 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 321 H C 2.163 177.531 175.328 0.067 0.000 1.090 321 H CA 1.266 57.338 56.048 0.040 0.000 1.332 321 H CB -0.117 29.690 29.762 0.075 0.000 1.386 321 H HN 0.393 nan 8.280 nan 0.000 0.516 322 K N 0.355 120.860 120.400 0.176 0.000 2.217 322 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 322 K C 2.267 178.938 176.600 0.118 0.000 1.051 322 K CA 0.394 56.766 56.287 0.141 0.000 0.952 322 K CB 0.275 32.853 32.500 0.130 0.000 0.736 322 K HN 0.191 nan 8.250 nan 0.000 0.453 323 L N 0.954 122.235 121.223 0.097 0.000 2.102 323 L HA 0.063 4.402 4.340 -0.000 0.000 0.202 323 L C 1.244 178.170 176.870 0.093 0.000 1.076 323 L CA -0.126 54.768 54.840 0.091 0.000 0.761 323 L CB -0.562 41.542 42.059 0.075 0.000 0.921 323 L HN 0.033 nan 8.230 nan 0.000 0.444 324 A N 0.769 123.637 122.820 0.079 0.000 2.615 324 A HA -0.154 4.166 4.320 -0.000 0.000 0.230 324 A C 0.707 178.375 177.584 0.139 0.000 1.062 324 A CA 0.128 52.234 52.037 0.114 0.000 0.758 324 A CB -0.024 19.055 19.000 0.131 0.000 0.995 324 A HN 0.270 nan 8.150 nan 0.000 0.511 325 D N 0.475 120.958 120.400 0.138 0.000 1.922 325 D HA -0.110 4.530 4.640 -0.000 0.000 0.271 325 D C 1.108 177.514 176.300 0.176 0.000 1.182 325 D CA 1.751 55.834 54.000 0.139 0.000 1.033 325 D CB -0.217 40.643 40.800 0.099 0.000 1.642 325 D HN 0.752 nan 8.370 nan 0.000 0.576 326 E N -0.402 119.910 120.200 0.187 0.000 2.301 326 E HA 0.318 4.668 4.350 -0.000 0.000 0.195 326 E C 0.757 177.475 176.600 0.197 0.000 1.171 326 E CA 0.325 56.841 56.400 0.193 0.000 1.142 326 E CB -0.200 29.620 29.700 0.200 0.000 1.218 326 E HN 0.532 nan 8.360 nan 0.000 0.448 327 G N 1.934 110.862 108.800 0.214 0.000 2.155 327 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 327 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 327 G C -0.115 175.002 174.900 0.361 0.000 0.983 327 G CA 0.373 45.633 45.100 0.266 0.000 0.676 327 G HN 0.445 nan 8.290 nan 0.000 0.528 328 D N -0.363 120.231 120.400 0.322 0.000 2.277 328 D HA 0.559 5.199 4.640 -0.000 0.000 0.249 328 D C -0.475 176.116 176.300 0.485 0.000 1.134 328 D CA -0.331 53.896 54.000 0.378 0.000 0.863 328 D CB 0.201 41.196 40.800 0.326 0.000 1.143 328 D HN 0.162 nan 8.370 nan 0.000 0.458 329 F N 5.176 125.290 119.950 0.273 0.000 2.659 329 F HA 0.279 4.806 4.527 -0.000 0.000 0.342 329 F C -2.101 173.813 175.800 0.189 0.000 1.168 329 F CA -1.192 56.910 58.000 0.171 0.000 1.003 329 F CB 0.618 39.560 39.000 -0.097 0.000 1.267 329 F HN 0.321 nan 8.300 nan 0.000 0.463 330 Y N 6.014 126.149 120.300 -0.276 0.000 2.595 330 Y HA 0.300 4.850 4.550 -0.000 0.000 0.347 330 Y C 0.332 175.786 175.900 -0.743 0.000 1.025 330 Y CA -0.153 57.703 58.100 -0.406 0.000 1.295 330 Y CB 0.301 38.536 38.460 -0.376 0.000 1.147 330 Y HN 0.703 nan 8.280 nan 0.000 0.515 331 E N 4.519 124.159 120.200 -0.933 0.000 2.338 331 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 331 E C -1.279 175.117 176.600 -0.340 0.000 1.029 331 E CA -0.534 55.365 56.400 -0.834 0.000 0.872 331 E CB 0.677 29.966 29.700 -0.684 0.000 1.015 331 E HN 0.600 nan 8.360 nan 0.000 0.417 332 I N 3.502 123.927 120.570 -0.242 0.000 2.460 332 I HA 0.064 4.234 4.170 -0.000 0.000 0.298 332 I C 0.026 176.093 176.117 -0.083 0.000 0.989 332 I CA 0.236 61.498 61.300 -0.062 0.000 1.173 332 I CB 1.513 39.541 38.000 0.046 0.000 1.338 332 I HN 0.729 nan 8.210 nan 0.000 0.456 333 Q N 2.600 122.381 119.800 -0.031 0.000 2.435 333 Q HA -0.288 4.052 4.340 -0.000 0.000 0.312 333 Q C 1.219 177.237 176.000 0.029 0.000 1.333 333 Q CA 1.026 56.826 55.803 -0.005 0.000 0.883 333 Q CB -0.756 27.989 28.738 0.012 0.000 1.170 333 Q HN 0.788 nan 8.270 nan 0.000 0.443 334 E N 0.781 120.970 120.200 -0.018 0.000 2.038 334 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 334 E C 0.852 177.468 176.600 0.027 0.000 1.000 334 E CA 1.226 57.620 56.400 -0.011 0.000 0.803 334 E CB 0.230 29.904 29.700 -0.044 0.000 0.750 334 E HN 0.379 nan 8.360 nan 0.000 0.448 335 E N -0.324 119.899 120.200 0.038 0.000 2.485 335 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 335 E C -0.476 176.198 176.600 0.124 0.000 1.098 335 E CA 0.172 56.605 56.400 0.054 0.000 0.878 335 E CB -0.194 29.529 29.700 0.038 0.000 0.939 335 E HN 0.187 nan 8.360 nan 0.000 0.503 336 F N 0.205 120.132 119.950 -0.039 0.000 2.563 336 F HA 0.485 5.012 4.527 -0.000 0.000 0.316 336 F C 0.150 175.929 175.800 -0.035 0.000 1.076 336 F CA -0.549 57.431 58.000 -0.033 0.000 0.921 336 F CB 1.409 40.389 39.000 -0.032 0.000 1.209 336 F HN -0.033 nan 8.300 nan 0.000 0.462 337 A N 4.083 126.335 122.820 -0.946 0.000 2.596 337 A HA -0.305 4.015 4.320 -0.000 0.000 0.300 337 A C 1.321 178.768 177.584 -0.229 0.000 1.495 337 A CA 1.351 53.016 52.037 -0.619 0.000 0.769 337 A CB -2.081 16.641 19.000 -0.463 0.000 1.047 337 A HN 0.891 nan 8.150 nan 0.000 0.436 338 K N 0.093 120.385 120.400 -0.181 0.000 2.589 338 K HA -0.208 4.112 4.320 -0.000 0.000 0.195 338 K C 1.485 178.029 176.600 -0.092 0.000 1.042 338 K CA 1.167 57.396 56.287 -0.096 0.000 0.940 338 K CB -0.278 32.177 32.500 -0.076 0.000 0.776 338 K HN 0.990 nan 8.250 nan 0.000 0.487 339 N N 0.605 119.237 118.700 -0.112 0.000 2.521 339 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 339 N C 0.582 176.041 175.510 -0.085 0.000 1.146 339 N CA 0.463 53.454 53.050 -0.098 0.000 0.893 339 N CB 0.220 38.646 38.487 -0.102 0.000 0.975 339 N HN 0.221 nan 8.380 nan 0.000 0.451 340 I N 0.025 120.552 120.570 -0.071 0.000 2.894 340 I HA 0.432 4.602 4.170 -0.000 0.000 0.302 340 I C -1.502 174.589 176.117 -0.044 0.000 1.188 340 I CA -1.120 60.149 61.300 -0.052 0.000 1.014 340 I CB 2.445 40.427 38.000 -0.030 0.000 1.242 340 I HN -0.225 nan 8.210 nan 0.000 0.430 341 I N 4.743 125.283 120.570 -0.049 0.000 2.433 341 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 341 I C -0.580 175.467 176.117 -0.116 0.000 1.001 341 I CA -0.480 60.794 61.300 -0.043 0.000 1.119 341 I CB 2.122 40.112 38.000 -0.016 0.000 1.289 341 I HN 0.518 nan 8.210 nan 0.000 0.438 342 T N 1.557 115.980 114.554 -0.218 0.000 2.848 342 T HA 0.901 5.250 4.350 -0.000 0.000 0.285 342 T C -0.318 173.972 174.700 -0.683 0.000 0.995 342 T CA -0.783 60.922 62.100 -0.658 0.000 0.970 342 T CB 2.088 70.382 68.868 -0.955 0.000 0.976 342 T HN 1.000 nan 8.240 nan 0.000 0.441 343 G N 1.232 109.583 108.800 -0.749 0.000 2.488 343 G HA2 0.574 4.534 3.960 -0.000 0.000 0.301 343 G HA3 0.574 4.534 3.960 -0.000 0.000 0.301 343 G C -2.191 172.659 174.900 -0.083 0.000 1.339 343 G CA -0.919 43.962 45.100 -0.366 0.000 0.803 343 G HN 0.570 nan 8.290 nan 0.000 0.482 344 F N 0.385 120.470 119.950 0.224 0.000 2.508 344 F HA 0.816 5.343 4.527 -0.000 0.000 0.325 344 F C 0.747 176.728 175.800 0.300 0.000 1.090 344 F CA -0.833 57.265 58.000 0.163 0.000 0.945 344 F CB 2.024 40.788 39.000 -0.393 0.000 1.156 344 F HN 0.612 nan 8.300 nan 0.000 0.463 345 I N -0.882 120.077 120.570 0.648 0.000 3.354 345 I HA 0.736 4.906 4.170 -0.000 0.000 0.316 345 I C -1.354 175.053 176.117 0.483 0.000 1.182 345 I CA -1.227 60.425 61.300 0.587 0.000 0.942 345 I CB 2.833 41.041 38.000 0.347 0.000 1.299 345 I HN 0.489 nan 8.210 nan 0.000 0.473 346 R N 1.319 121.980 120.500 0.268 0.000 2.892 346 R HA 0.842 5.182 4.340 -0.000 0.000 0.265 346 R C -1.582 174.709 176.300 -0.015 0.000 1.025 346 R CA -1.000 55.137 56.100 0.063 0.000 0.982 346 R CB 2.472 32.731 30.300 -0.068 0.000 1.185 346 R HN 0.553 nan 8.270 nan 0.000 0.484 347 L N 1.163 122.305 121.223 -0.134 0.000 2.470 347 L HA 0.272 4.612 4.340 -0.000 0.000 0.268 347 L C -0.282 176.352 176.870 -0.393 0.000 0.964 347 L CA -0.380 54.355 54.840 -0.176 0.000 0.839 347 L CB 2.166 44.163 42.059 -0.103 0.000 1.276 347 L HN 0.798 nan 8.230 nan 0.000 0.403 348 E N 2.306 122.076 120.200 -0.716 0.000 2.403 348 E HA -0.268 4.082 4.350 -0.000 0.000 0.241 348 E C 0.983 176.758 176.600 -1.375 0.000 1.201 348 E CA 0.738 56.173 56.400 -1.607 0.000 0.721 348 E CB -0.816 28.454 29.700 -0.717 0.000 1.245 348 E HN 1.129 nan 8.360 nan 0.000 0.392 349 G N -0.081 108.180 108.800 -0.899 0.000 2.179 349 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.257 349 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.257 349 G C 0.068 174.817 174.900 -0.251 0.000 1.010 349 G CA 0.888 45.772 45.100 -0.361 0.000 0.736 349 G HN 0.253 nan 8.290 nan 0.000 0.513 350 R N -0.372 119.978 120.500 -0.250 0.000 2.740 350 R HA 0.641 4.981 4.340 -0.000 0.000 0.282 350 R C 0.278 176.509 176.300 -0.116 0.000 0.969 350 R CA -0.421 55.581 56.100 -0.165 0.000 0.918 350 R CB 1.089 31.299 30.300 -0.149 0.000 1.175 350 R HN 0.096 nan 8.270 nan 0.000 0.464 351 T N 1.599 116.117 114.554 -0.061 0.000 2.928 351 T HA 0.279 4.629 4.350 -0.000 0.000 0.305 351 T C -0.455 174.264 174.700 0.032 0.000 1.035 351 T CA 0.070 62.209 62.100 0.064 0.000 1.145 351 T CB 0.336 69.258 68.868 0.090 0.000 0.963 351 T HN 0.166 nan 8.240 nan 0.000 0.545 352 V N 2.626 122.623 119.914 0.138 0.000 2.612 352 V HA 0.589 4.709 4.120 -0.000 0.000 0.301 352 V C 0.574 176.847 176.094 0.299 0.000 1.059 352 V CA -1.157 61.162 62.300 0.031 0.000 0.886 352 V CB 1.968 33.672 31.823 -0.198 0.000 1.007 352 V HN 1.025 nan 8.190 nan 0.000 0.426 353 G N 2.026 111.032 108.800 0.343 0.000 2.444 353 G HA2 0.581 4.540 3.960 -0.000 0.000 0.268 353 G HA3 0.581 4.540 3.960 -0.000 0.000 0.268 353 G C -0.866 174.273 174.900 0.399 0.000 1.203 353 G CA -0.429 44.967 45.100 0.492 0.000 0.835 353 G HN 0.960 nan 8.290 nan 0.000 0.543 354 V N 2.057 122.201 119.914 0.383 0.000 2.686 354 V HA 0.687 4.806 4.120 -0.000 0.000 0.306 354 V C -1.131 175.008 176.094 0.074 0.000 1.065 354 V CA -0.622 61.801 62.300 0.205 0.000 0.894 354 V CB 2.026 33.898 31.823 0.082 0.000 1.004 354 V HN 0.582 nan 8.190 nan 0.000 0.424 355 V N 6.211 126.197 119.914 0.121 0.000 2.444 355 V HA 0.974 5.093 4.120 -0.000 0.000 0.294 355 V C 0.227 176.350 176.094 0.048 0.000 1.022 355 V CA 0.259 62.601 62.300 0.070 0.000 0.850 355 V CB 1.311 33.271 31.823 0.228 0.000 0.992 355 V HN 1.360 nan 8.190 nan 0.000 0.426 356 A N 4.101 126.911 122.820 -0.017 0.000 2.515 356 A HA 0.739 5.059 4.320 -0.000 0.000 0.298 356 A C -0.734 176.819 177.584 -0.051 0.000 1.059 356 A CA -0.850 51.163 52.037 -0.040 0.000 0.698 356 A CB 1.306 20.258 19.000 -0.081 0.000 1.289 356 A HN 0.806 nan 8.150 nan 0.000 0.404 357 N N 0.731 119.395 118.700 -0.058 0.000 2.529 357 N HA 0.424 5.164 4.740 -0.000 0.000 0.278 357 N C -0.451 174.994 175.510 -0.109 0.000 1.146 357 N CA -0.130 52.875 53.050 -0.075 0.000 0.980 357 N CB 0.805 39.251 38.487 -0.068 0.000 1.124 357 N HN 0.576 nan 8.380 nan 0.000 0.458 358 Q N 2.871 122.600 119.800 -0.118 0.000 2.431 358 Q HA 0.343 4.683 4.340 -0.000 0.000 0.249 358 Q C -2.263 173.628 176.000 -0.181 0.000 1.025 358 Q CA -2.227 53.484 55.803 -0.154 0.000 0.835 358 Q CB 1.529 30.202 28.738 -0.108 0.000 1.207 358 Q HN 0.345 nan 8.270 nan 0.000 0.490 359 P HA -0.128 nan 4.420 nan 0.000 0.218 359 P C 0.563 177.763 177.300 -0.167 0.000 1.148 359 P CA 1.084 64.037 63.100 -0.245 0.000 0.822 359 P CB 0.216 31.654 31.700 -0.437 0.000 0.784 360 L N -2.001 119.119 121.223 -0.172 0.000 2.353 360 L HA -0.071 4.269 4.340 -0.000 0.000 0.220 360 L C 0.604 177.428 176.870 -0.078 0.000 1.133 360 L CA 0.721 55.499 54.840 -0.103 0.000 0.798 360 L CB -0.376 41.631 42.059 -0.086 0.000 0.922 360 L HN -0.146 nan 8.230 nan 0.000 0.445 361 V N -0.098 119.764 119.914 -0.087 0.000 2.588 361 V HA 0.212 4.332 4.120 -0.000 0.000 0.304 361 V C 0.758 176.806 176.094 -0.077 0.000 1.042 361 V CA -0.945 61.309 62.300 -0.076 0.000 0.877 361 V CB 2.096 33.871 31.823 -0.080 0.000 0.996 361 V HN 0.136 nan 8.190 nan 0.000 0.425 362 L N 3.423 124.606 121.223 -0.067 0.000 4.107 362 L HA -0.334 4.006 4.340 -0.000 0.000 0.437 362 L C 1.167 178.002 176.870 -0.060 0.000 1.128 362 L CA 0.710 55.513 54.840 -0.061 0.000 0.980 362 L CB -1.382 40.636 42.059 -0.068 0.000 1.878 362 L HN 1.311 nan 8.230 nan 0.000 1.047 363 A N -1.263 121.520 122.820 -0.062 0.000 2.739 363 A HA 0.038 4.358 4.320 -0.000 0.000 0.296 363 A C 1.555 179.099 177.584 -0.067 0.000 1.488 363 A CA 1.183 53.185 52.037 -0.059 0.000 0.746 363 A CB -1.855 17.121 19.000 -0.040 0.000 1.047 363 A HN 2.110 nan 8.150 nan 0.000 0.477 364 G N -2.499 106.249 108.800 -0.087 0.000 2.269 364 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.277 364 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.277 364 G C 0.839 175.684 174.900 -0.093 0.000 1.008 364 G CA 0.872 45.918 45.100 -0.091 0.000 0.774 364 G HN 1.827 nan 8.290 nan 0.000 0.511 365 C N -0.544 118.701 119.300 -0.091 0.000 2.700 365 C HA 0.527 4.987 4.460 -0.000 0.000 0.397 365 C C 1.285 176.184 174.990 -0.152 0.000 1.301 365 C CA -0.329 58.623 59.018 -0.111 0.000 2.219 365 C CB 0.176 27.874 27.740 -0.070 0.000 2.699 365 C HN 0.489 nan 8.230 nan 0.000 0.669 366 L N 3.668 124.731 121.223 -0.266 0.000 2.309 366 L HA 0.534 4.874 4.340 -0.000 0.000 0.282 366 L C -0.153 176.684 176.870 -0.055 0.000 1.036 366 L CA 0.132 54.787 54.840 -0.307 0.000 0.806 366 L CB 1.136 42.664 42.059 -0.886 0.000 1.220 366 L HN 0.802 nan 8.230 nan 0.000 0.429 367 D N 2.524 122.970 120.400 0.076 0.000 2.599 367 D HA 0.188 4.828 4.640 -0.000 0.000 0.252 367 D C 0.978 177.368 176.300 0.152 0.000 1.232 367 D CA -0.679 53.415 54.000 0.157 0.000 0.819 367 D CB 1.365 42.194 40.800 0.048 0.000 1.401 367 D HN 0.350 nan 8.370 nan 0.000 0.429 368 I N 0.432 121.087 120.570 0.142 0.000 2.130 368 I HA -0.400 3.770 4.170 -0.000 0.000 0.241 368 I C 1.703 177.854 176.117 0.055 0.000 1.023 368 I CA 2.071 63.434 61.300 0.105 0.000 1.293 368 I CB -0.329 37.679 38.000 0.012 0.000 1.001 368 I HN 0.451 nan 8.210 nan 0.000 0.407 369 D N 0.358 120.766 120.400 0.013 0.000 2.084 369 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 369 D C 2.384 178.740 176.300 0.093 0.000 0.990 369 D CA 1.920 55.953 54.000 0.054 0.000 0.826 369 D CB -0.397 40.314 40.800 -0.149 0.000 0.971 369 D HN 0.443 nan 8.370 nan 0.000 0.453 370 S N -0.175 115.526 115.700 0.001 0.000 2.370 370 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 370 S C 2.176 176.835 174.600 0.098 0.000 1.033 370 S CA 1.601 59.816 58.200 0.024 0.000 1.011 370 S CB -0.465 62.721 63.200 -0.023 0.000 0.852 370 S HN 0.043 nan 8.310 nan 0.000 0.457 371 S N 1.921 117.698 115.700 0.129 0.000 2.356 371 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 371 S C 2.116 176.814 174.600 0.164 0.000 1.032 371 S CA 1.161 59.465 58.200 0.175 0.000 1.005 371 S CB -0.336 63.009 63.200 0.242 0.000 0.867 371 S HN 0.577 nan 8.310 nan 0.000 0.449 372 R N 1.108 121.701 120.500 0.155 0.000 2.096 372 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 372 R C 2.439 178.815 176.300 0.127 0.000 1.127 372 R CA 1.197 57.376 56.100 0.131 0.000 0.968 372 R CB -0.214 30.142 30.300 0.095 0.000 0.861 372 R HN 0.347 nan 8.270 nan 0.000 0.440 373 K N 0.833 121.344 120.400 0.186 0.000 2.002 373 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 373 K C 2.086 178.761 176.600 0.126 0.000 1.048 373 K CA 1.554 57.945 56.287 0.172 0.000 0.930 373 K CB -0.123 32.547 32.500 0.284 0.000 0.714 373 K HN 0.143 nan 8.250 nan 0.000 0.438 374 A N 1.138 124.033 122.820 0.125 0.000 1.873 374 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 374 A C 2.382 180.053 177.584 0.144 0.000 1.186 374 A CA 1.794 53.912 52.037 0.134 0.000 0.616 374 A CB -0.987 18.092 19.000 0.132 0.000 0.823 374 A HN 0.517 nan 8.150 nan 0.000 0.442 375 A N -0.165 122.726 122.820 0.118 0.000 1.896 375 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 375 A C 2.284 179.911 177.584 0.071 0.000 1.206 375 A CA 2.310 54.398 52.037 0.084 0.000 0.647 375 A CB -0.597 18.467 19.000 0.106 0.000 0.828 375 A HN 0.558 nan 8.150 nan 0.000 0.455 376 R N -2.238 118.310 120.500 0.080 0.000 2.092 376 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 376 R C 1.998 178.358 176.300 0.099 0.000 1.119 376 R CA 1.450 57.585 56.100 0.057 0.000 0.970 376 R CB -0.395 29.906 30.300 0.003 0.000 0.864 376 R HN 0.539 nan 8.270 nan 0.000 0.440 377 F N 0.751 120.700 119.950 -0.002 0.000 2.065 377 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 377 F C 1.949 177.809 175.800 0.099 0.000 1.112 377 F CA 1.668 59.689 58.000 0.034 0.000 1.212 377 F CB -0.492 38.501 39.000 -0.012 0.000 0.975 377 F HN -0.209 nan 8.300 nan 0.000 0.476 378 V N 1.313 121.285 119.914 0.097 0.000 2.231 378 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 378 V C 2.616 178.676 176.094 -0.057 0.000 1.054 378 V CA 2.368 64.628 62.300 -0.067 0.000 1.015 378 V CB -0.750 30.902 31.823 -0.285 0.000 0.638 378 V HN 0.297 nan 8.190 nan 0.000 0.444 379 R N -0.894 119.602 120.500 -0.007 0.000 2.117 379 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 379 R C 2.229 178.576 176.300 0.078 0.000 1.143 379 R CA 2.142 58.259 56.100 0.029 0.000 0.968 379 R CB -0.840 29.489 30.300 0.050 0.000 0.863 379 R HN 0.609 nan 8.270 nan 0.000 0.444 380 F N 0.961 120.882 119.950 -0.048 0.000 2.146 380 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 380 F C 2.275 178.154 175.800 0.130 0.000 1.096 380 F CA 1.159 59.191 58.000 0.053 0.000 1.275 380 F CB -0.381 38.595 39.000 -0.041 0.000 1.008 380 F HN -0.079 nan 8.300 nan 0.000 0.480 381 C N 0.515 119.841 119.300 0.043 0.000 2.422 381 C HA -0.161 4.299 4.460 -0.000 0.000 0.279 381 C C 2.444 177.400 174.990 -0.057 0.000 1.305 381 C CA 1.485 60.477 59.018 -0.042 0.000 1.757 381 C CB -1.348 26.361 27.740 -0.052 0.000 1.962 381 C HN 0.642 nan 8.230 nan 0.000 0.499 382 D N 0.690 121.058 120.400 -0.054 0.000 2.110 382 D HA -0.008 4.632 4.640 -0.000 0.000 0.202 382 D C 2.219 178.447 176.300 -0.121 0.000 0.975 382 D CA 1.364 55.332 54.000 -0.055 0.000 0.839 382 D CB -0.235 40.542 40.800 -0.038 0.000 0.996 382 D HN 0.293 nan 8.370 nan 0.000 0.464 383 A N -0.552 122.162 122.820 -0.178 0.000 1.986 383 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 383 A C 1.390 178.613 177.584 -0.600 0.000 1.171 383 A CA 1.082 52.901 52.037 -0.363 0.000 0.640 383 A CB -0.813 17.947 19.000 -0.400 0.000 0.811 383 A HN 0.374 nan 8.150 nan 0.000 0.451 384 F N -0.393 119.367 119.950 -0.317 0.000 2.750 384 F HA 0.258 4.785 4.527 -0.000 0.000 0.297 384 F C 0.480 176.161 175.800 -0.198 0.000 1.138 384 F CA -0.132 57.680 58.000 -0.313 0.000 1.346 384 F CB 0.412 39.069 39.000 -0.572 0.000 0.965 384 F HN 0.131 nan 8.300 nan 0.000 0.514 385 E N 0.203 120.380 120.200 -0.038 0.000 2.805 385 E HA -0.257 4.093 4.350 -0.000 0.000 0.266 385 E C -0.020 176.588 176.600 0.013 0.000 1.092 385 E CA 0.595 56.991 56.400 -0.007 0.000 0.781 385 E CB -1.792 27.908 29.700 -0.001 0.000 1.379 385 E HN 0.438 nan 8.360 nan 0.000 0.433 386 I N 1.378 121.958 120.570 0.016 0.000 2.371 386 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 386 I C -1.919 174.230 176.117 0.053 0.000 1.028 386 I CA -1.909 59.413 61.300 0.036 0.000 1.345 386 I CB 0.858 38.909 38.000 0.085 0.000 1.407 386 I HN -0.241 nan 8.210 nan 0.000 0.501 387 P HA 0.250 nan 4.420 nan 0.000 0.272 387 P C -0.942 176.428 177.300 0.117 0.000 1.240 387 P CA -0.281 62.862 63.100 0.072 0.000 0.791 387 P CB 0.671 32.327 31.700 -0.073 0.000 0.978 388 L N 1.155 122.548 121.223 0.283 0.000 2.346 388 L HA 0.563 4.903 4.340 -0.000 0.000 0.274 388 L C -0.608 176.563 176.870 0.503 0.000 1.007 388 L CA -0.914 54.125 54.840 0.333 0.000 0.818 388 L CB 1.537 43.782 42.059 0.310 0.000 1.284 388 L HN 0.198 nan 8.230 nan 0.000 0.424 389 L N 2.386 123.854 121.223 0.408 0.000 2.349 389 L HA 0.601 4.941 4.340 -0.000 0.000 0.278 389 L C -0.689 176.336 176.870 0.258 0.000 0.996 389 L CA 0.175 55.254 54.840 0.399 0.000 0.825 389 L CB 1.945 44.219 42.059 0.358 0.000 1.243 389 L HN 0.520 nan 8.230 nan 0.000 0.412 390 T N 6.006 120.679 114.554 0.198 0.000 2.815 390 T HA 0.539 4.889 4.350 -0.000 0.000 0.289 390 T C -0.267 174.454 174.700 0.035 0.000 1.000 390 T CA -0.345 61.834 62.100 0.133 0.000 0.958 390 T CB 0.822 69.765 68.868 0.124 0.000 0.944 390 T HN 0.425 nan 8.240 nan 0.000 0.442 391 L N 4.352 125.573 121.223 -0.003 0.000 2.257 391 L HA 0.544 4.884 4.340 -0.000 0.000 0.290 391 L C -0.246 176.578 176.870 -0.077 0.000 1.044 391 L CA -0.738 54.057 54.840 -0.075 0.000 0.810 391 L CB 0.660 42.661 42.059 -0.096 0.000 1.193 391 L HN 0.523 nan 8.230 nan 0.000 0.425 392 I N 3.379 123.891 120.570 -0.097 0.000 2.437 392 I HA 0.341 4.511 4.170 -0.000 0.000 0.298 392 I C -0.317 175.777 176.117 -0.038 0.000 0.984 392 I CA 0.045 61.307 61.300 -0.062 0.000 1.214 392 I CB 1.683 39.656 38.000 -0.046 0.000 1.365 392 I HN 0.531 nan 8.210 nan 0.000 0.469 393 D N 4.736 125.136 120.400 -0.000 0.000 3.785 393 D HA 0.085 4.725 4.640 -0.000 0.000 0.241 393 D C -1.623 174.697 176.300 0.034 0.000 1.488 393 D CA 0.008 54.039 54.000 0.052 0.000 0.912 393 D CB 0.754 41.620 40.800 0.110 0.000 1.418 393 D HN 0.181 nan 8.370 nan 0.000 0.749 394 V N 2.467 122.403 119.914 0.037 0.000 2.513 394 V HA 0.663 4.783 4.120 -0.000 0.000 0.299 394 V C -1.711 174.432 176.094 0.082 0.000 1.035 394 V CA -1.934 60.370 62.300 0.006 0.000 0.889 394 V CB 2.281 34.067 31.823 -0.062 0.000 0.988 394 V HN 0.063 nan 8.190 nan 0.000 0.440 395 P HA 0.298 nan 4.420 nan 0.000 0.217 395 P C 0.542 177.870 177.300 0.048 0.000 1.153 395 P CA 1.524 64.652 63.100 0.046 0.000 0.843 395 P CB 0.790 32.472 31.700 -0.029 0.000 0.794 396 G N -1.296 107.498 108.800 -0.010 0.000 2.392 396 G HA2 0.329 4.289 3.960 -0.000 0.000 0.260 396 G HA3 0.329 4.289 3.960 -0.000 0.000 0.260 396 G C -1.725 173.102 174.900 -0.122 0.000 1.226 396 G CA -0.713 44.394 45.100 0.011 0.000 0.913 396 G HN -0.011 nan 8.290 nan 0.000 0.483 397 F N -0.144 119.825 119.950 0.030 0.000 2.403 397 F HA 0.682 5.209 4.527 -0.000 0.000 0.326 397 F C 0.502 176.304 175.800 0.002 0.000 1.081 397 F CA -0.646 57.367 58.000 0.021 0.000 1.041 397 F CB 1.744 40.759 39.000 0.026 0.000 1.234 397 F HN 0.354 nan 8.300 nan 0.000 0.503 398 L N 4.919 126.242 121.223 0.166 0.000 2.361 398 L HA 0.403 4.743 4.340 -0.000 0.000 0.278 398 L C -2.484 174.431 176.870 0.074 0.000 1.113 398 L CA -1.642 53.245 54.840 0.078 0.000 0.849 398 L CB -0.211 41.872 42.059 0.040 0.000 1.155 398 L HN 0.267 nan 8.230 nan 0.000 0.452 399 P HA 0.620 nan 4.420 nan 0.000 0.272 399 P C -0.629 176.657 177.300 -0.023 0.000 1.230 399 P CA -0.282 62.823 63.100 0.008 0.000 0.788 399 P CB 1.001 32.700 31.700 -0.002 0.000 0.949 400 G N -0.844 107.922 108.800 -0.055 0.000 2.312 400 G HA2 0.068 4.028 3.960 -0.000 0.000 0.347 400 G HA3 0.068 4.028 3.960 -0.000 0.000 0.347 400 G C 0.292 175.085 174.900 -0.178 0.000 1.564 400 G CA -0.161 44.882 45.100 -0.095 0.000 0.981 400 G HN 0.416 nan 8.290 nan 0.000 0.678 401 T N 0.025 114.415 114.554 -0.274 0.000 2.896 401 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 401 T C 2.742 177.117 174.700 -0.542 0.000 1.050 401 T CA 2.718 64.457 62.100 -0.601 0.000 1.140 401 T CB -0.296 68.197 68.868 -0.626 0.000 0.877 401 T HN 1.263 nan 8.240 nan 0.000 0.457 402 S N 0.474 116.026 115.700 -0.245 0.000 2.365 402 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 402 S C 2.113 176.687 174.600 -0.043 0.000 1.039 402 S CA 1.490 59.632 58.200 -0.097 0.000 1.033 402 S CB -0.415 62.754 63.200 -0.052 0.000 0.887 402 S HN 0.495 nan 8.310 nan 0.000 0.447 403 Q N 0.448 120.216 119.800 -0.054 0.000 1.990 403 Q HA -0.048 4.291 4.340 -0.000 0.000 0.200 403 Q C 2.402 178.416 176.000 0.024 0.000 0.980 403 Q CA 1.331 57.136 55.803 0.004 0.000 0.832 403 Q CB -0.632 28.111 28.738 0.007 0.000 0.897 403 Q HN 0.612 nan 8.270 nan 0.000 0.427 404 E N 0.228 120.409 120.200 -0.032 0.000 2.058 404 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 404 E C 2.012 178.726 176.600 0.190 0.000 0.997 404 E CA 1.044 57.465 56.400 0.035 0.000 0.801 404 E CB -0.319 29.378 29.700 -0.006 0.000 0.746 404 E HN 0.410 nan 8.360 nan 0.000 0.450 405 Y N 0.286 120.596 120.300 0.016 0.000 2.352 405 Y HA 0.006 4.556 4.550 -0.000 0.000 0.292 405 Y C 2.443 178.362 175.900 0.033 0.000 1.136 405 Y CA 0.860 58.970 58.100 0.017 0.000 1.227 405 Y CB -1.085 37.383 38.460 0.014 0.000 0.991 405 Y HN 0.058 nan 8.280 nan 0.000 0.545 406 G N -1.051 107.871 108.800 0.203 0.000 2.744 406 G HA2 0.242 4.202 3.960 -0.000 0.000 0.211 406 G HA3 0.242 4.202 3.960 -0.000 0.000 0.211 406 G C 1.155 176.186 174.900 0.217 0.000 1.143 406 G CA 0.429 45.634 45.100 0.175 0.000 0.788 406 G HN 0.557 nan 8.290 nan 0.000 0.534 407 G N -0.331 108.562 108.800 0.155 0.000 2.325 407 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.248 407 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.248 407 G C 0.906 175.858 174.900 0.087 0.000 1.108 407 G CA 0.318 45.463 45.100 0.075 0.000 0.881 407 G HN 0.948 nan 8.290 nan 0.000 0.494 408 V N -0.878 119.091 119.914 0.092 0.000 2.490 408 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 408 V C 2.809 178.877 176.094 -0.044 0.000 1.061 408 V CA 1.843 64.183 62.300 0.066 0.000 1.064 408 V CB -0.769 31.052 31.823 -0.002 0.000 0.670 408 V HN 0.631 nan 8.190 nan 0.000 0.461 409 I N -0.341 120.185 120.570 -0.074 0.000 2.248 409 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 409 I C 2.745 178.802 176.117 -0.100 0.000 1.107 409 I CA 1.710 62.950 61.300 -0.102 0.000 1.373 409 I CB -0.552 37.402 38.000 -0.076 0.000 1.055 409 I HN 0.336 nan 8.210 nan 0.000 0.418 410 K N -0.105 120.209 120.400 -0.142 0.000 2.056 410 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 410 K C 2.137 178.645 176.600 -0.154 0.000 1.035 410 K CA 0.956 57.123 56.287 -0.200 0.000 0.955 410 K CB -0.682 31.610 32.500 -0.346 0.000 0.769 410 K HN 0.329 nan 8.250 nan 0.000 0.447 411 H N 0.375 119.454 119.070 0.015 0.000 2.353 411 H HA -0.102 4.454 4.556 -0.000 0.000 0.298 411 H C 2.167 177.541 175.328 0.077 0.000 1.103 411 H CA 1.648 57.722 56.048 0.044 0.000 1.293 411 H CB -0.659 29.138 29.762 0.058 0.000 1.372 411 H HN 0.396 nan 8.280 nan 0.000 0.501 412 G N 0.624 109.529 108.800 0.174 0.000 2.440 412 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 412 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 412 G C 2.043 177.044 174.900 0.169 0.000 1.154 412 G CA 1.435 46.643 45.100 0.180 0.000 0.767 412 G HN 0.544 nan 8.290 nan 0.000 0.552 413 A N 0.971 123.839 122.820 0.080 0.000 1.940 413 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 413 A C 2.279 179.964 177.584 0.168 0.000 1.176 413 A CA 2.076 54.175 52.037 0.104 0.000 0.631 413 A CB -0.409 18.624 19.000 0.055 0.000 0.814 413 A HN 0.416 nan 8.150 nan 0.000 0.446 414 K N -0.925 119.559 120.400 0.139 0.000 2.052 414 K HA -0.232 4.088 4.320 -0.000 0.000 0.215 414 K C 1.897 178.614 176.600 0.195 0.000 1.053 414 K CA 1.706 58.077 56.287 0.139 0.000 0.934 414 K CB -0.543 32.023 32.500 0.111 0.000 0.717 414 K HN 0.415 nan 8.250 nan 0.000 0.450 415 L N 1.294 122.645 121.223 0.213 0.000 2.083 415 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 415 L C 2.124 179.183 176.870 0.315 0.000 1.083 415 L CA 1.260 56.243 54.840 0.239 0.000 0.752 415 L CB -0.438 41.786 42.059 0.274 0.000 0.899 415 L HN 0.159 nan 8.230 nan 0.000 0.433 416 L N -1.431 119.967 121.223 0.292 0.000 2.017 416 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 416 L C 2.383 179.391 176.870 0.230 0.000 1.073 416 L CA 1.972 56.967 54.840 0.258 0.000 0.745 416 L CB -1.069 41.102 42.059 0.187 0.000 0.894 416 L HN 0.410 nan 8.230 nan 0.000 0.432 417 Y N 0.163 120.522 120.300 0.098 0.000 2.165 417 Y HA -0.299 4.251 4.550 -0.000 0.000 0.286 417 Y C 2.400 178.330 175.900 0.050 0.000 1.155 417 Y CA 2.080 60.215 58.100 0.059 0.000 1.164 417 Y CB -0.403 38.078 38.460 0.036 0.000 0.978 417 Y HN 0.336 nan 8.280 nan 0.000 0.513 418 A N -0.483 122.495 122.820 0.263 0.000 1.865 418 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 418 A C 1.958 179.533 177.584 -0.015 0.000 1.191 418 A CA 1.979 54.073 52.037 0.095 0.000 0.623 418 A CB -1.471 17.513 19.000 -0.026 0.000 0.826 418 A HN 0.624 nan 8.150 nan 0.000 0.444 419 Y N 0.184 120.518 120.300 0.057 0.000 2.242 419 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 419 Y C 2.766 178.647 175.900 -0.032 0.000 1.137 419 Y CA 0.808 58.920 58.100 0.021 0.000 1.181 419 Y CB -0.886 37.585 38.460 0.018 0.000 0.989 419 Y HN 0.327 nan 8.280 nan 0.000 0.527 420 G N -0.297 108.549 108.800 0.078 0.000 2.433 420 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.216 420 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.216 420 G C 1.568 176.407 174.900 -0.102 0.000 1.186 420 G CA 1.065 46.135 45.100 -0.049 0.000 0.779 420 G HN 0.482 nan 8.290 nan 0.000 0.543 421 E N 0.919 121.013 120.200 -0.176 0.000 2.077 421 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 421 E C 1.652 178.221 176.600 -0.053 0.000 0.989 421 E CA 0.442 56.751 56.400 -0.152 0.000 0.800 421 E CB -0.323 29.285 29.700 -0.154 0.000 0.746 421 E HN 0.343 nan 8.360 nan 0.000 0.452 422 A N 0.414 123.223 122.820 -0.018 0.000 2.587 422 A HA 0.010 4.330 4.320 -0.000 0.000 0.233 422 A C 0.842 178.438 177.584 0.019 0.000 1.049 422 A CA 0.986 53.026 52.037 0.005 0.000 0.754 422 A CB 0.095 19.110 19.000 0.025 0.000 0.977 422 A HN 0.478 nan 8.150 nan 0.000 0.509 423 T N -0.737 113.828 114.554 0.019 0.000 3.087 423 T HA 0.340 4.690 4.350 -0.000 0.000 0.283 423 T C 0.577 175.305 174.700 0.047 0.000 0.956 423 T CA 0.437 62.553 62.100 0.027 0.000 0.894 423 T CB -1.375 67.498 68.868 0.009 0.000 1.160 423 T HN 1.368 nan 8.240 nan 0.000 0.532 424 V N -0.548 119.400 119.914 0.056 0.000 3.766 424 V HA 0.486 4.606 4.120 -0.000 0.000 0.286 424 V C -2.857 173.316 176.094 0.131 0.000 1.055 424 V CA -2.048 60.301 62.300 0.081 0.000 1.060 424 V CB -0.489 31.381 31.823 0.079 0.000 1.210 424 V HN -0.023 nan 8.190 nan 0.000 0.457 425 P HA 0.389 nan 4.420 nan 0.000 0.276 425 P C -0.646 176.847 177.300 0.322 0.000 1.235 425 P CA 0.240 63.489 63.100 0.248 0.000 0.772 425 P CB 0.406 32.311 31.700 0.342 0.000 0.871 426 M N 2.954 122.681 119.600 0.211 0.000 2.125 426 M HA 0.365 4.845 4.480 -0.000 0.000 0.321 426 M C -0.906 175.441 176.300 0.079 0.000 0.983 426 M CA -0.782 54.643 55.300 0.209 0.000 0.934 426 M CB 1.821 34.530 32.600 0.182 0.000 1.542 426 M HN -0.014 nan 8.290 nan 0.000 0.424 427 V N 2.392 122.320 119.914 0.023 0.000 2.513 427 V HA 0.649 4.768 4.120 -0.000 0.000 0.299 427 V C -0.040 176.086 176.094 0.054 0.000 1.035 427 V CA -0.374 61.850 62.300 -0.127 0.000 0.889 427 V CB 2.198 33.630 31.823 -0.653 0.000 0.988 427 V HN 0.845 nan 8.190 nan 0.000 0.440 428 T N 3.276 117.860 114.554 0.050 0.000 2.893 428 T HA 0.684 5.034 4.350 -0.000 0.000 0.293 428 T C -0.996 173.761 174.700 0.095 0.000 1.027 428 T CA -0.446 61.683 62.100 0.048 0.000 0.988 428 T CB 1.910 70.764 68.868 -0.023 0.000 1.043 428 T HN 0.390 nan 8.240 nan 0.000 0.461 429 V N 3.789 123.719 119.914 0.027 0.000 2.524 429 V HA 0.470 4.590 4.120 -0.000 0.000 0.297 429 V C -0.517 175.470 176.094 -0.177 0.000 1.035 429 V CA -0.799 61.479 62.300 -0.035 0.000 0.867 429 V CB 1.550 33.298 31.823 -0.125 0.000 1.004 429 V HN 0.811 nan 8.190 nan 0.000 0.426 430 I N 4.375 124.860 120.570 -0.142 0.000 2.312 430 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 430 I C 1.631 177.587 176.117 -0.268 0.000 1.031 430 I CA -0.072 61.144 61.300 -0.141 0.000 1.293 430 I CB 1.858 39.841 38.000 -0.028 0.000 1.403 430 I HN 0.839 nan 8.210 nan 0.000 0.484 431 T N 2.793 117.134 114.554 -0.356 0.000 2.978 431 T HA 0.041 4.391 4.350 -0.000 0.000 0.262 431 T C 1.406 176.121 174.700 0.025 0.000 1.063 431 T CA 0.558 62.412 62.100 -0.410 0.000 1.140 431 T CB 0.373 68.888 68.868 -0.588 0.000 0.886 431 T HN 0.691 nan 8.240 nan 0.000 0.470 432 R N 0.559 121.090 120.500 0.052 0.000 4.948 432 R HA 0.329 4.669 4.340 -0.000 0.000 0.106 432 R C -0.796 175.571 176.300 0.112 0.000 1.250 432 R CA -0.476 55.695 56.100 0.118 0.000 0.850 432 R CB 0.392 30.801 30.300 0.182 0.000 1.132 432 R HN 0.053 nan 8.270 nan 0.000 0.391 433 K N 0.953 121.450 120.400 0.163 0.000 2.249 433 K HA 0.498 4.818 4.320 -0.000 0.000 0.280 433 K C -1.145 175.543 176.600 0.147 0.000 1.033 433 K CA 0.127 56.554 56.287 0.234 0.000 0.946 433 K CB 1.823 34.528 32.500 0.342 0.000 1.005 433 K HN 0.415 nan 8.250 nan 0.000 0.469 434 A N 3.989 126.819 122.820 0.016 0.000 3.007 434 A HA 0.330 4.650 4.320 -0.000 0.000 0.314 434 A C -1.673 175.880 177.584 -0.053 0.000 1.153 434 A CA -0.634 51.442 52.037 0.064 0.000 0.780 434 A CB 0.106 19.158 19.000 0.087 0.000 1.258 434 A HN 0.629 nan 8.150 nan 0.000 0.460 435 Y N 0.709 121.078 120.300 0.115 0.000 2.377 435 Y HA 0.573 5.123 4.550 -0.000 0.000 0.339 435 Y C 1.356 177.345 175.900 0.148 0.000 1.011 435 Y CA 0.555 58.716 58.100 0.101 0.000 1.093 435 Y CB 1.798 40.301 38.460 0.071 0.000 1.201 435 Y HN 1.183 nan 8.280 nan 0.000 0.455 436 G N 1.719 110.693 108.800 0.290 0.000 2.602 436 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.306 436 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.306 436 G C 1.362 176.430 174.900 0.280 0.000 1.301 436 G CA 0.357 45.607 45.100 0.250 0.000 0.974 436 G HN 1.215 nan 8.290 nan 0.000 0.547 437 G N -0.270 108.679 108.800 0.249 0.000 2.505 437 G HA2 0.089 4.049 3.960 -0.000 0.000 0.220 437 G HA3 0.089 4.049 3.960 -0.000 0.000 0.220 437 G C 2.227 177.314 174.900 0.312 0.000 1.145 437 G CA 3.376 48.634 45.100 0.263 0.000 0.761 437 G HN 1.948 nan 8.290 nan 0.000 0.571 438 A N 0.211 123.222 122.820 0.318 0.000 1.908 438 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 438 A C 2.198 179.808 177.584 0.043 0.000 1.181 438 A CA 1.938 54.012 52.037 0.061 0.000 0.627 438 A CB -0.785 18.107 19.000 -0.181 0.000 0.818 438 A HN 0.655 nan 8.150 nan 0.000 0.445 439 Y N 1.083 121.408 120.300 0.042 0.000 2.114 439 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 439 Y C 2.154 178.057 175.900 0.006 0.000 1.165 439 Y CA 2.125 60.232 58.100 0.012 0.000 1.148 439 Y CB -0.750 37.723 38.460 0.021 0.000 0.972 439 Y HN 0.060 nan 8.280 nan 0.000 0.504 440 V N -0.337 119.333 119.914 -0.407 0.000 2.261 440 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 440 V C 2.504 178.420 176.094 -0.297 0.000 1.047 440 V CA 1.870 63.909 62.300 -0.435 0.000 1.015 440 V CB -1.199 30.566 31.823 -0.097 0.000 0.642 440 V HN 0.401 nan 8.190 nan 0.000 0.446 441 V N -0.613 119.232 119.914 -0.114 0.000 2.332 441 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 441 V C 1.611 177.566 176.094 -0.231 0.000 1.055 441 V CA 1.215 63.489 62.300 -0.044 0.000 1.038 441 V CB -0.637 31.267 31.823 0.135 0.000 0.651 441 V HN 0.461 nan 8.190 nan 0.000 0.450 442 M N 1.017 120.437 119.600 -0.300 0.000 3.282 442 M HA 0.109 4.589 4.480 -0.000 0.000 0.242 442 M C 1.058 176.963 176.300 -0.658 0.000 1.568 442 M CA 0.455 55.489 55.300 -0.443 0.000 1.668 442 M CB -1.395 31.061 32.600 -0.240 0.000 1.236 442 M HN 0.448 nan 8.290 nan 0.000 0.527 443 S N 1.469 116.456 115.700 -1.188 0.000 3.410 443 S HA -0.131 4.339 4.470 -0.000 0.000 0.369 443 S C 0.674 175.011 174.600 -0.437 0.000 0.961 443 S CA 0.518 58.202 58.200 -0.860 0.000 1.248 443 S CB -0.608 62.187 63.200 -0.674 0.000 0.914 443 S HN 0.880 nan 8.310 nan 0.000 0.497 444 S N 0.580 116.016 115.700 -0.440 0.000 2.608 444 S HA 0.326 4.796 4.470 -0.000 0.000 0.261 444 S C 0.919 175.288 174.600 -0.385 0.000 1.314 444 S CA 0.184 58.113 58.200 -0.452 0.000 0.992 444 S CB 0.924 63.788 63.200 -0.559 0.000 0.935 444 S HN 0.654 nan 8.310 nan 0.000 0.564 445 K N -0.242 119.840 120.400 -0.529 0.000 2.439 445 K HA -0.052 4.268 4.320 -0.000 0.000 0.197 445 K C 1.374 177.643 176.600 -0.551 0.000 1.041 445 K CA 0.985 56.968 56.287 -0.505 0.000 0.970 445 K CB -0.244 31.974 32.500 -0.470 0.000 0.773 445 K HN 0.736 nan 8.250 nan 0.000 0.479 446 H N -0.166 118.767 119.070 -0.230 0.000 2.547 446 H HA 0.009 4.565 4.556 -0.000 0.000 0.272 446 H C 1.200 176.443 175.328 -0.141 0.000 0.989 446 H CA 0.692 56.619 56.048 -0.202 0.000 1.214 446 H CB 0.283 29.900 29.762 -0.242 0.000 1.389 446 H HN 0.214 nan 8.280 nan 0.000 0.577 447 L N 0.803 121.970 121.223 -0.094 0.000 2.628 447 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 447 L C 0.249 177.093 176.870 -0.044 0.000 1.137 447 L CA 0.002 54.810 54.840 -0.053 0.000 0.909 447 L CB 0.266 42.294 42.059 -0.052 0.000 1.137 447 L HN 0.103 nan 8.230 nan 0.000 0.470 448 R N -1.204 119.248 120.500 -0.080 0.000 3.418 448 R HA -0.133 4.207 4.340 -0.000 0.000 0.274 448 R C 0.278 176.548 176.300 -0.050 0.000 1.108 448 R CA 0.641 56.701 56.100 -0.068 0.000 0.741 448 R CB -2.533 27.745 30.300 -0.037 0.000 1.223 448 R HN 0.266 nan 8.270 nan 0.000 0.434 449 A N 0.620 123.395 122.820 -0.075 0.000 2.386 449 A HA 0.250 4.570 4.320 -0.000 0.000 0.246 449 A C 1.267 178.820 177.584 -0.050 0.000 1.089 449 A CA 0.167 52.182 52.037 -0.036 0.000 0.790 449 A CB 0.360 19.318 19.000 -0.070 0.000 1.042 449 A HN 0.262 nan 8.150 nan 0.000 0.497 450 D N -0.405 120.001 120.400 0.009 0.000 2.146 450 D HA 0.072 4.712 4.640 -0.000 0.000 0.209 450 D C -0.466 175.753 176.300 -0.134 0.000 0.973 450 D CA 1.446 55.450 54.000 0.006 0.000 0.860 450 D CB -0.038 40.877 40.800 0.192 0.000 1.015 450 D HN 0.424 nan 8.370 nan 0.000 0.465 451 F N 1.001 120.795 119.950 -0.259 0.000 2.449 451 F HA 0.336 4.863 4.527 -0.000 0.000 0.342 451 F C -0.234 175.333 175.800 -0.389 0.000 1.127 451 F CA -0.905 56.842 58.000 -0.422 0.000 0.975 451 F CB 1.116 39.745 39.000 -0.617 0.000 1.146 451 F HN -0.345 nan 8.300 nan 0.000 0.444 452 N N 3.440 121.987 118.700 -0.254 0.000 2.800 452 N HA 0.253 4.993 4.740 -0.000 0.000 0.240 452 N C -1.206 174.257 175.510 -0.077 0.000 1.096 452 N CA -0.449 52.525 53.050 -0.127 0.000 0.877 452 N CB 0.484 38.918 38.487 -0.088 0.000 1.138 452 N HN 0.479 nan 8.380 nan 0.000 0.509 453 Y N 0.918 121.255 120.300 0.062 0.000 2.298 453 Y HA 0.622 5.172 4.550 -0.000 0.000 0.329 453 Y C 0.686 176.605 175.900 0.032 0.000 1.293 453 Y CA -0.871 57.270 58.100 0.069 0.000 1.388 453 Y CB 1.093 39.607 38.460 0.090 0.000 1.309 453 Y HN 0.290 nan 8.280 nan 0.000 0.544 454 A N 1.266 124.239 122.820 0.256 0.000 2.549 454 A HA 0.534 4.854 4.320 -0.000 0.000 0.297 454 A C -1.967 175.769 177.584 0.253 0.000 1.061 454 A CA -0.743 51.376 52.037 0.138 0.000 0.690 454 A CB 0.716 19.737 19.000 0.035 0.000 1.287 454 A HN 0.657 nan 8.150 nan 0.000 0.402 455 W N 1.515 122.804 121.300 -0.018 0.000 2.283 455 W HA 0.488 5.148 4.660 -0.000 0.000 0.341 455 W C -1.917 174.562 176.519 -0.066 0.000 1.206 455 W CA -1.779 55.545 57.345 -0.034 0.000 1.294 455 W CB 0.386 29.826 29.460 -0.033 0.000 1.154 455 W HN 0.518 nan 8.180 nan 0.000 0.613 456 P HA -0.155 nan 4.420 nan 0.000 0.219 456 P C 1.250 178.586 177.300 0.060 0.000 1.146 456 P CA 2.295 65.429 63.100 0.056 0.000 0.808 456 P CB -0.106 31.636 31.700 0.070 0.000 0.779 457 T N -3.564 111.063 114.554 0.122 0.000 3.160 457 T HA 0.312 4.662 4.350 -0.000 0.000 0.257 457 T C 0.927 175.688 174.700 0.101 0.000 1.147 457 T CA -0.037 62.133 62.100 0.116 0.000 1.064 457 T CB -0.784 68.168 68.868 0.140 0.000 0.949 457 T HN 0.063 nan 8.240 nan 0.000 0.526 458 A N 1.561 124.421 122.820 0.066 0.000 2.425 458 A HA 0.463 4.783 4.320 -0.000 0.000 0.242 458 A C 0.171 177.731 177.584 -0.039 0.000 1.077 458 A CA -0.504 51.538 52.037 0.009 0.000 0.781 458 A CB 0.216 19.198 19.000 -0.031 0.000 1.020 458 A HN 0.596 nan 8.150 nan 0.000 0.494 459 E N 0.624 120.781 120.200 -0.073 0.000 2.528 459 E HA 0.379 4.729 4.350 -0.000 0.000 0.277 459 E C -1.170 175.194 176.600 -0.394 0.000 0.980 459 E CA -0.519 55.790 56.400 -0.151 0.000 0.796 459 E CB 1.635 31.317 29.700 -0.031 0.000 1.427 459 E HN 0.617 nan 8.360 nan 0.000 0.394 460 V N 0.170 119.872 119.914 -0.355 0.000 2.398 460 V HA 0.987 5.107 4.120 -0.000 0.000 0.286 460 V C -0.350 175.480 176.094 -0.439 0.000 1.026 460 V CA -0.188 61.820 62.300 -0.485 0.000 0.868 460 V CB 0.998 32.549 31.823 -0.454 0.000 0.982 460 V HN 0.702 nan 8.190 nan 0.000 0.443 461 A N 3.849 126.364 122.820 -0.507 0.000 2.586 461 A HA 0.660 4.980 4.320 -0.000 0.000 0.291 461 A C 0.482 178.066 177.584 -0.001 0.000 1.062 461 A CA -0.030 51.899 52.037 -0.181 0.000 0.666 461 A CB 1.086 20.097 19.000 0.018 0.000 1.281 461 A HN 1.666 nan 8.150 nan 0.000 0.421 462 V N -0.317 119.644 119.914 0.077 0.000 2.317 462 V HA -0.088 4.032 4.120 -0.000 0.000 0.251 462 V C 1.089 177.292 176.094 0.182 0.000 1.065 462 V CA 2.744 65.107 62.300 0.105 0.000 1.049 462 V CB -1.750 30.111 31.823 0.063 0.000 0.651 462 V HN 1.375 nan 8.190 nan 0.000 0.450 463 M N -1.963 117.800 119.600 0.272 0.000 3.196 463 M HA 0.619 5.099 4.480 -0.000 0.000 0.279 463 M C -0.175 176.287 176.300 0.270 0.000 1.173 463 M CA -0.266 55.188 55.300 0.255 0.000 0.820 463 M CB 1.204 33.836 32.600 0.055 0.000 1.621 463 M HN 0.069 nan 8.290 nan 0.000 0.521 464 G N 0.292 109.054 108.800 -0.063 0.000 2.554 464 G HA2 0.445 4.404 3.960 -0.000 0.000 0.238 464 G HA3 0.445 4.404 3.960 -0.000 0.000 0.238 464 G C 0.824 175.717 174.900 -0.011 0.000 1.259 464 G CA 0.017 45.060 45.100 -0.094 0.000 0.843 464 G HN 1.103 nan 8.290 nan 0.000 0.582 465 A N 1.706 124.600 122.820 0.122 0.000 1.903 465 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 465 A C 2.522 180.064 177.584 -0.070 0.000 1.191 465 A CA 1.992 54.086 52.037 0.095 0.000 0.638 465 A CB -0.386 18.790 19.000 0.293 0.000 0.823 465 A HN 0.581 nan 8.150 nan 0.000 0.451 466 K N -1.022 119.365 120.400 -0.023 0.000 1.971 466 K HA -0.170 4.149 4.320 -0.000 0.000 0.221 466 K C 2.222 178.779 176.600 -0.072 0.000 1.050 466 K CA 1.608 57.877 56.287 -0.030 0.000 0.967 466 K CB -1.416 31.070 32.500 -0.022 0.000 0.733 466 K HN 0.467 nan 8.250 nan 0.000 0.445 467 G N 1.107 109.857 108.800 -0.084 0.000 2.503 467 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 467 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 467 G C 1.709 176.530 174.900 -0.132 0.000 1.131 467 G CA 1.764 46.813 45.100 -0.086 0.000 0.756 467 G HN 0.443 nan 8.290 nan 0.000 0.572 468 A N 0.227 122.902 122.820 -0.241 0.000 1.908 468 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 468 A C 2.558 179.964 177.584 -0.297 0.000 1.181 468 A CA 2.557 54.349 52.037 -0.409 0.000 0.627 468 A CB -0.985 17.407 19.000 -1.014 0.000 0.818 468 A HN 0.324 nan 8.150 nan 0.000 0.445 469 T N 0.200 114.626 114.554 -0.213 0.000 2.746 469 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 469 T C 1.691 176.421 174.700 0.049 0.000 1.039 469 T CA 1.569 63.668 62.100 -0.001 0.000 1.142 469 T CB -0.315 68.576 68.868 0.040 0.000 0.866 469 T HN 0.676 nan 8.240 nan 0.000 0.444 470 E N 0.618 120.818 120.200 0.001 0.000 2.153 470 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 470 E C 2.088 178.689 176.600 0.001 0.000 0.988 470 E CA 0.864 57.273 56.400 0.015 0.000 0.811 470 E CB -0.290 29.408 29.700 -0.003 0.000 0.746 470 E HN 0.524 nan 8.360 nan 0.000 0.466 471 I N 0.871 121.423 120.570 -0.031 0.000 2.206 471 I HA -0.204 3.966 4.170 -0.000 0.000 0.239 471 I C 2.428 178.508 176.117 -0.061 0.000 1.078 471 I CA 0.843 62.116 61.300 -0.044 0.000 1.367 471 I CB -0.258 37.706 38.000 -0.060 0.000 1.078 471 I HN 0.028 nan 8.210 nan 0.000 0.413 472 I N 0.126 120.650 120.570 -0.078 0.000 2.335 472 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 472 I C 0.448 176.346 176.117 -0.366 0.000 1.129 472 I CA 1.508 62.702 61.300 -0.178 0.000 1.402 472 I CB -0.546 37.378 38.000 -0.128 0.000 1.069 472 I HN 0.316 nan 8.210 nan 0.000 0.424 473 H N 0.158 119.167 119.070 -0.101 0.000 2.418 473 H HA 0.308 4.864 4.556 -0.000 0.000 0.238 473 H C 0.725 176.030 175.328 -0.038 0.000 1.403 473 H CA -0.499 55.481 56.048 -0.113 0.000 1.419 473 H CB 0.451 30.060 29.762 -0.255 0.000 1.463 473 H HN -0.092 nan 8.280 nan 0.000 0.515 474 R N 1.498 122.018 120.500 0.034 0.000 2.070 474 R HA 0.029 4.369 4.340 -0.000 0.000 0.227 474 R C 1.126 177.462 176.300 0.060 0.000 1.147 474 R CA 0.928 57.050 56.100 0.037 0.000 0.924 474 R CB -0.736 29.568 30.300 0.008 0.000 0.827 474 R HN 0.597 nan 8.270 nan 0.000 0.431 475 G N 2.829 111.660 108.800 0.052 0.000 2.469 475 G HA2 0.210 4.170 3.960 -0.000 0.000 0.293 475 G HA3 0.210 4.170 3.960 -0.000 0.000 0.293 475 G C -1.603 173.359 174.900 0.103 0.000 0.982 475 G CA -0.613 44.525 45.100 0.062 0.000 1.401 475 G HN 0.265 nan 8.290 nan 0.000 0.453 476 P HA 0.140 nan 4.420 nan 0.000 0.251 476 P C 1.383 178.672 177.300 -0.018 0.000 1.223 476 P CA 0.492 63.590 63.100 -0.003 0.000 0.796 476 P CB 0.832 32.532 31.700 -0.000 0.000 1.068 477 E N -0.846 119.334 120.200 -0.034 0.000 2.340 477 E HA 0.030 4.380 4.350 -0.000 0.000 0.198 477 E C 1.551 178.082 176.600 -0.115 0.000 0.961 477 E CA 0.256 56.621 56.400 -0.057 0.000 0.905 477 E CB 0.274 29.945 29.700 -0.048 0.000 0.884 477 E HN 0.127 nan 8.360 nan 0.000 0.491 478 K N 0.999 121.319 120.400 -0.133 0.000 2.007 478 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 478 K C 2.296 178.687 176.600 -0.349 0.000 1.047 478 K CA 0.997 57.101 56.287 -0.306 0.000 0.937 478 K CB -0.273 32.138 32.500 -0.148 0.000 0.718 478 K HN 0.159 nan 8.250 nan 0.000 0.438 479 I N -0.715 119.821 120.570 -0.056 0.000 2.493 479 I HA -0.051 4.119 4.170 -0.000 0.000 0.254 479 I C 2.122 178.243 176.117 0.006 0.000 1.160 479 I CA 1.292 62.623 61.300 0.052 0.000 1.445 479 I CB -0.945 37.100 38.000 0.075 0.000 1.086 479 I HN -0.088 nan 8.210 nan 0.000 0.433 480 A N -0.032 122.769 122.820 -0.032 0.000 2.014 480 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 480 A C 2.296 179.862 177.584 -0.029 0.000 1.163 480 A CA 1.636 53.662 52.037 -0.018 0.000 0.652 480 A CB -0.534 18.452 19.000 -0.023 0.000 0.808 480 A HN 0.516 nan 8.150 nan 0.000 0.449 481 Q N -0.825 118.918 119.800 -0.093 0.000 2.259 481 Q HA 0.031 4.371 4.340 -0.000 0.000 0.201 481 Q C 1.575 177.538 176.000 -0.062 0.000 0.938 481 Q CA 1.499 57.239 55.803 -0.105 0.000 0.872 481 Q CB -0.482 28.145 28.738 -0.185 0.000 0.971 481 Q HN 0.820 nan 8.270 nan 0.000 0.494 482 H N -1.346 117.679 119.070 -0.074 0.000 2.387 482 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 482 H C 1.539 176.878 175.328 0.018 0.000 1.090 482 H CA 1.626 57.598 56.048 -0.127 0.000 1.332 482 H CB 0.392 29.939 29.762 -0.358 0.000 1.386 482 H HN 0.227 nan 8.280 nan 0.000 0.516 483 T N 0.198 114.847 114.554 0.157 0.000 2.737 483 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 483 T C 2.321 177.125 174.700 0.173 0.000 1.038 483 T CA 0.951 63.148 62.100 0.162 0.000 1.144 483 T CB -0.424 68.502 68.868 0.097 0.000 0.866 483 T HN 0.458 nan 8.240 nan 0.000 0.434 484 A N 1.784 124.668 122.820 0.107 0.000 2.076 484 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 484 A C 2.006 179.646 177.584 0.094 0.000 1.160 484 A CA 1.627 53.715 52.037 0.085 0.000 0.653 484 A CB -0.452 18.572 19.000 0.041 0.000 0.801 484 A HN 0.417 nan 8.150 nan 0.000 0.455 485 D N -2.152 118.322 120.400 0.124 0.000 2.197 485 D HA -0.052 4.588 4.640 -0.000 0.000 0.212 485 D C 1.679 178.057 176.300 0.129 0.000 0.963 485 D CA 0.968 55.028 54.000 0.099 0.000 0.864 485 D CB -0.417 40.451 40.800 0.114 0.000 1.009 485 D HN 0.524 nan 8.370 nan 0.000 0.479 486 Y N 2.087 122.493 120.300 0.177 0.000 2.114 486 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 486 Y C 2.422 178.472 175.900 0.250 0.000 1.165 486 Y CA 1.899 60.196 58.100 0.329 0.000 1.148 486 Y CB 0.057 38.698 38.460 0.301 0.000 0.972 486 Y HN -0.146 nan 8.280 nan 0.000 0.504 487 E N 0.497 120.903 120.200 0.344 0.000 2.033 487 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 487 E C 1.955 178.623 176.600 0.114 0.000 1.011 487 E CA 1.969 58.513 56.400 0.240 0.000 0.815 487 E CB -0.282 29.526 29.700 0.179 0.000 0.755 487 E HN 0.396 nan 8.360 nan 0.000 0.451 488 E N -0.528 119.702 120.200 0.050 0.000 2.268 488 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 488 E C 1.924 178.452 176.600 -0.120 0.000 0.995 488 E CA 0.882 57.271 56.400 -0.017 0.000 0.836 488 E CB -0.060 29.628 29.700 -0.020 0.000 0.763 488 E HN 0.163 nan 8.360 nan 0.000 0.491 489 R N -1.690 118.651 120.500 -0.266 0.000 2.250 489 R HA 0.127 4.467 4.340 -0.000 0.000 0.194 489 R C 0.738 176.521 176.300 -0.861 0.000 0.927 489 R CA 0.391 56.122 56.100 -0.614 0.000 1.052 489 R CB 0.262 30.029 30.300 -0.889 0.000 1.055 489 R HN 0.105 nan 8.270 nan 0.000 0.537 490 F N -0.442 119.393 119.950 -0.192 0.000 2.740 490 F HA 0.451 4.978 4.527 -0.000 0.000 0.304 490 F C 0.664 176.427 175.800 -0.062 0.000 1.098 490 F CA -0.377 57.499 58.000 -0.206 0.000 1.258 490 F CB 0.415 39.094 39.000 -0.536 0.000 1.061 490 F HN -0.090 nan 8.300 nan 0.000 0.598 491 A N 2.875 125.800 122.820 0.176 0.000 2.805 491 A HA 0.501 4.821 4.320 -0.000 0.000 0.301 491 A C 0.019 177.651 177.584 0.079 0.000 1.557 491 A CA 0.039 52.172 52.037 0.160 0.000 1.254 491 A CB -1.267 17.882 19.000 0.249 0.000 1.114 491 A HN 0.502 nan 8.150 nan 0.000 0.553 492 N N 1.454 120.161 118.700 0.012 0.000 3.405 492 N HA 0.219 4.958 4.740 -0.000 0.000 0.292 492 N C -3.288 172.139 175.510 -0.139 0.000 1.456 492 N CA -0.703 52.331 53.050 -0.027 0.000 0.861 492 N CB 0.731 39.262 38.487 0.074 0.000 1.643 492 N HN 0.068 nan 8.380 nan 0.000 0.474 493 P HA 0.293 nan 4.420 nan 0.000 0.272 493 P C 0.622 177.676 177.300 -0.410 0.000 1.276 493 P CA 0.192 63.060 63.100 -0.386 0.000 0.871 493 P CB 0.084 31.501 31.700 -0.472 0.000 1.313 494 F N 0.271 120.210 119.950 -0.018 0.000 2.325 494 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 494 F C 2.485 178.254 175.800 -0.051 0.000 1.090 494 F CA 0.800 58.780 58.000 -0.032 0.000 1.392 494 F CB -1.411 37.566 39.000 -0.038 0.000 1.053 494 F HN -0.189 nan 8.300 nan 0.000 0.521 495 V N -0.017 119.947 119.914 0.083 0.000 2.548 495 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 495 V C 2.288 178.350 176.094 -0.054 0.000 1.055 495 V CA 1.719 64.041 62.300 0.038 0.000 1.065 495 V CB -0.523 31.360 31.823 0.100 0.000 0.681 495 V HN 0.220 nan 8.190 nan 0.000 0.462 496 A N -0.436 122.345 122.820 -0.065 0.000 1.969 496 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 496 A C 2.413 179.911 177.584 -0.143 0.000 1.169 496 A CA 2.089 54.066 52.037 -0.101 0.000 0.635 496 A CB -0.697 18.294 19.000 -0.016 0.000 0.810 496 A HN 0.607 nan 8.150 nan 0.000 0.445 497 S N -0.099 115.562 115.700 -0.065 0.000 2.355 497 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 497 S C 1.771 176.338 174.600 -0.054 0.000 1.031 497 S CA 1.396 59.583 58.200 -0.021 0.000 0.993 497 S CB -0.326 62.927 63.200 0.088 0.000 0.859 497 S HN 0.713 nan 8.310 nan 0.000 0.453 498 E N 0.663 120.834 120.200 -0.048 0.000 2.160 498 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 498 E C 2.092 178.596 176.600 -0.159 0.000 0.991 498 E CA 0.642 57.000 56.400 -0.070 0.000 0.810 498 E CB -0.004 29.666 29.700 -0.050 0.000 0.742 498 E HN 0.117 nan 8.360 nan 0.000 0.466 499 R N -0.900 119.408 120.500 -0.319 0.000 2.240 499 R HA 0.017 4.357 4.340 -0.000 0.000 0.203 499 R C 1.560 177.566 176.300 -0.490 0.000 1.011 499 R CA 0.949 56.706 56.100 -0.572 0.000 1.007 499 R CB 0.359 29.915 30.300 -1.241 0.000 0.911 499 R HN 0.386 nan 8.270 nan 0.000 0.468 500 G N -0.216 108.417 108.800 -0.278 0.000 2.213 500 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.226 500 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.226 500 G C 0.987 175.965 174.900 0.131 0.000 0.992 500 G CA 0.134 45.202 45.100 -0.054 0.000 0.632 500 G HN 0.393 nan 8.290 nan 0.000 0.511 501 F N 0.293 120.241 119.950 -0.004 0.000 2.307 501 F HA 0.153 4.680 4.527 -0.000 0.000 0.301 501 F C 1.214 176.988 175.800 -0.044 0.000 1.076 501 F CA 0.675 58.662 58.000 -0.022 0.000 1.383 501 F CB 0.125 39.181 39.000 0.094 0.000 1.055 501 F HN 0.075 nan 8.300 nan 0.000 0.526 502 V N 0.784 120.779 119.914 0.135 0.000 2.378 502 V HA 0.047 4.167 4.120 -0.000 0.000 0.288 502 V C -0.268 175.829 176.094 0.006 0.000 1.016 502 V CA -0.629 61.704 62.300 0.054 0.000 0.840 502 V CB 1.501 33.346 31.823 0.037 0.000 0.994 502 V HN 0.017 nan 8.190 nan 0.000 0.431 503 D N 2.914 123.277 120.400 -0.062 0.000 2.264 503 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 503 D C 0.676 176.971 176.300 -0.008 0.000 0.966 503 D CA 1.075 55.012 54.000 -0.105 0.000 0.864 503 D CB 0.456 41.083 40.800 -0.288 0.000 0.933 503 D HN 0.690 nan 8.370 nan 0.000 0.499 504 E N -1.313 118.934 120.200 0.078 0.000 2.392 504 E HA 0.275 4.625 4.350 -0.000 0.000 0.281 504 E C -2.107 174.628 176.600 0.226 0.000 1.088 504 E CA -0.639 55.871 56.400 0.183 0.000 0.850 504 E CB 1.089 30.953 29.700 0.273 0.000 1.267 504 E HN -0.234 nan 8.360 nan 0.000 0.438 505 V N 4.334 124.353 119.914 0.175 0.000 2.384 505 V HA 0.555 4.675 4.120 -0.000 0.000 0.287 505 V C 0.129 176.316 176.094 0.154 0.000 1.020 505 V CA -0.494 61.887 62.300 0.134 0.000 0.850 505 V CB 0.710 32.563 31.823 0.050 0.000 0.987 505 V HN 0.623 nan 8.190 nan 0.000 0.436 506 I N 1.596 122.259 120.570 0.155 0.000 2.797 506 I HA 0.715 4.885 4.170 -0.000 0.000 0.307 506 I C -0.443 175.678 176.117 0.007 0.000 1.033 506 I CA -1.197 60.149 61.300 0.077 0.000 1.071 506 I CB 1.978 39.983 38.000 0.007 0.000 1.255 506 I HN 0.386 nan 8.210 nan 0.000 0.445 507 Q N 4.189 123.950 119.800 -0.065 0.000 2.286 507 Q HA 0.295 4.635 4.340 -0.000 0.000 0.267 507 Q C -2.002 173.815 176.000 -0.305 0.000 1.028 507 Q CA -1.542 54.161 55.803 -0.167 0.000 0.901 507 Q CB 1.337 30.010 28.738 -0.109 0.000 1.183 507 Q HN 0.410 nan 8.270 nan 0.000 0.392 508 P HA -0.294 nan 4.420 nan 0.000 0.218 508 P C 0.567 177.630 177.300 -0.394 0.000 1.154 508 P CA 1.689 64.170 63.100 -1.031 0.000 0.872 508 P CB 0.079 30.823 31.700 -1.593 0.000 0.790 509 R N -0.051 120.283 120.500 -0.277 0.000 2.127 509 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 509 R C 1.927 178.191 176.300 -0.061 0.000 1.134 509 R CA 2.263 58.284 56.100 -0.132 0.000 0.975 509 R CB -1.735 28.499 30.300 -0.109 0.000 0.865 509 R HN 0.268 nan 8.270 nan 0.000 0.447 510 S N 0.051 115.709 115.700 -0.069 0.000 2.527 510 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 510 S C 1.531 176.117 174.600 -0.023 0.000 0.985 510 S CA 0.715 58.893 58.200 -0.037 0.000 0.921 510 S CB -0.151 63.021 63.200 -0.048 0.000 0.772 510 S HN 0.340 nan 8.310 nan 0.000 0.529 511 T N 3.002 117.570 114.554 0.024 0.000 2.624 511 T HA -0.298 4.052 4.350 -0.000 0.000 0.266 511 T C 1.784 176.500 174.700 0.027 0.000 1.050 511 T CA 2.323 64.459 62.100 0.060 0.000 1.163 511 T CB -0.543 68.481 68.868 0.259 0.000 0.861 511 T HN 0.671 nan 8.240 nan 0.000 0.443 512 R N 1.506 122.042 120.500 0.061 0.000 2.103 512 R HA -0.094 4.246 4.340 -0.000 0.000 0.242 512 R C 2.266 178.593 176.300 0.044 0.000 1.142 512 R CA 2.142 58.281 56.100 0.066 0.000 0.960 512 R CB -0.352 29.994 30.300 0.076 0.000 0.858 512 R HN 0.444 nan 8.270 nan 0.000 0.439 513 K N -0.551 119.863 120.400 0.023 0.000 2.025 513 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 513 K C 2.039 178.634 176.600 -0.009 0.000 1.049 513 K CA 1.046 57.343 56.287 0.018 0.000 0.933 513 K CB -0.020 32.489 32.500 0.015 0.000 0.714 513 K HN 0.046 nan 8.250 nan 0.000 0.438 514 R N 0.721 121.177 120.500 -0.073 0.000 2.080 514 R HA -0.097 4.243 4.340 -0.000 0.000 0.236 514 R C 2.361 178.607 176.300 -0.090 0.000 1.137 514 R CA 1.152 57.159 56.100 -0.156 0.000 0.943 514 R CB -1.198 28.772 30.300 -0.549 0.000 0.846 514 R HN 0.136 nan 8.270 nan 0.000 0.431 515 V N 1.205 121.075 119.914 -0.073 0.000 2.261 515 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 515 V C 2.516 178.645 176.094 0.059 0.000 1.047 515 V CA 1.978 64.281 62.300 0.005 0.000 1.015 515 V CB -1.017 30.870 31.823 0.107 0.000 0.642 515 V HN 0.378 nan 8.190 nan 0.000 0.446 516 A N 1.183 124.067 122.820 0.106 0.000 1.873 516 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 516 A C 2.373 180.003 177.584 0.076 0.000 1.193 516 A CA 2.605 54.717 52.037 0.125 0.000 0.629 516 A CB -0.664 18.379 19.000 0.072 0.000 0.826 516 A HN 0.685 nan 8.150 nan 0.000 0.447 517 R N -0.531 119.981 120.500 0.020 0.000 2.148 517 R HA 0.164 4.504 4.340 -0.000 0.000 0.223 517 R C 2.103 178.347 176.300 -0.094 0.000 1.088 517 R CA 1.353 57.454 56.100 0.002 0.000 0.985 517 R CB -0.559 29.756 30.300 0.026 0.000 0.880 517 R HN 0.328 nan 8.270 nan 0.000 0.451 518 A N 1.120 123.784 122.820 -0.260 0.000 1.908 518 A HA -0.108 4.211 4.320 -0.000 0.000 0.218 518 A C 1.935 179.162 177.584 -0.595 0.000 1.181 518 A CA 1.199 52.765 52.037 -0.785 0.000 0.627 518 A CB -0.755 17.463 19.000 -1.304 0.000 0.818 518 A HN 0.416 nan 8.150 nan 0.000 0.445 519 F N -0.010 119.793 119.950 -0.244 0.000 2.146 519 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 519 F C 2.841 178.599 175.800 -0.070 0.000 1.096 519 F CA 0.856 58.782 58.000 -0.122 0.000 1.275 519 F CB -0.279 38.681 39.000 -0.066 0.000 1.008 519 F HN 0.281 nan 8.300 nan 0.000 0.480 520 A N 0.110 123.003 122.820 0.122 0.000 1.903 520 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 520 A C 2.266 179.891 177.584 0.067 0.000 1.191 520 A CA 2.508 54.590 52.037 0.076 0.000 0.638 520 A CB -1.373 17.658 19.000 0.052 0.000 0.823 520 A HN 0.436 nan 8.150 nan 0.000 0.451 521 S N -0.902 114.828 115.700 0.050 0.000 2.507 521 S HA 0.094 4.564 4.470 -0.000 0.000 0.235 521 S C 1.360 176.019 174.600 0.098 0.000 0.988 521 S CA 1.155 59.402 58.200 0.078 0.000 0.944 521 S CB -0.386 62.879 63.200 0.108 0.000 0.762 521 S HN 0.436 nan 8.310 nan 0.000 0.526 522 L N 0.208 121.491 121.223 0.100 0.000 2.640 522 L HA 0.350 4.690 4.340 -0.000 0.000 0.230 522 L C 2.377 179.319 176.870 0.120 0.000 1.123 522 L CA -0.195 54.721 54.840 0.126 0.000 0.900 522 L CB -0.053 42.093 42.059 0.146 0.000 1.146 522 L HN 0.197 nan 8.230 nan 0.000 0.484 523 R N 0.131 120.691 120.500 0.101 0.000 2.200 523 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 523 R C 1.366 177.704 176.300 0.064 0.000 1.127 523 R CA 1.222 57.369 56.100 0.079 0.000 0.989 523 R CB -0.224 30.110 30.300 0.058 0.000 0.869 523 R HN 0.262 nan 8.270 nan 0.000 0.459 524 N N 0.833 119.571 118.700 0.063 0.000 2.280 524 N HA -0.017 4.723 4.740 -0.000 0.000 0.192 524 N C -0.217 175.325 175.510 0.052 0.000 1.109 524 N CA -0.007 53.073 53.050 0.051 0.000 0.855 524 N CB 0.301 38.816 38.487 0.046 0.000 0.974 524 N HN -0.018 nan 8.380 nan 0.000 0.482 525 K N 0.443 120.883 120.400 0.066 0.000 2.561 525 K HA -0.031 4.289 4.320 -0.000 0.000 0.280 525 K C -0.857 175.771 176.600 0.048 0.000 0.975 525 K CA 0.600 56.925 56.287 0.063 0.000 1.024 525 K CB 0.153 32.702 32.500 0.082 0.000 0.883 525 K HN -0.022 nan 8.250 nan 0.000 0.496 526 S N 3.526 119.248 115.700 0.038 0.000 2.750 526 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 526 S C -1.669 172.945 174.600 0.024 0.000 1.165 526 S CA -0.806 57.411 58.200 0.029 0.000 1.047 526 S CB 1.116 64.331 63.200 0.025 0.000 1.056 526 S HN 0.346 nan 8.310 nan 0.000 0.481 527 V N 5.013 124.939 119.914 0.021 0.000 2.789 527 V HA 0.609 4.729 4.120 -0.000 0.000 0.311 527 V C -1.253 174.848 176.094 0.013 0.000 1.073 527 V CA -0.824 61.486 62.300 0.016 0.000 0.921 527 V CB 2.281 34.113 31.823 0.016 0.000 1.009 527 V HN 0.790 nan 8.190 nan 0.000 0.426 528 Q N 4.017 123.825 119.800 0.013 0.000 2.307 528 Q HA 0.600 4.940 4.340 -0.000 0.000 0.262 528 Q C -0.615 175.390 176.000 0.009 0.000 0.961 528 Q CA -0.586 55.227 55.803 0.016 0.000 0.882 528 Q CB 1.859 30.613 28.738 0.026 0.000 1.264 528 Q HN 0.525 nan 8.270 nan 0.000 0.446 529 M N 2.251 121.853 119.600 0.003 0.000 2.359 529 M HA 0.437 4.917 4.480 -0.000 0.000 0.322 529 M C -1.900 174.403 176.300 0.005 0.000 1.166 529 M CA -1.879 53.413 55.300 -0.013 0.000 1.067 529 M CB 0.103 32.682 32.600 -0.035 0.000 1.523 529 M HN 0.290 nan 8.290 nan 0.000 0.467 530 P HA -0.022 nan 4.420 nan 0.000 0.269 530 P C -1.030 176.281 177.300 0.018 0.000 1.209 530 P CA -0.139 62.974 63.100 0.023 0.000 0.776 530 P CB 0.329 32.025 31.700 -0.006 0.000 0.876 531 W N 4.510 125.800 121.300 -0.017 0.000 2.210 531 W HA 0.285 4.945 4.660 -0.000 0.000 0.330 531 W C 0.086 176.590 176.519 -0.025 0.000 1.334 531 W CA 0.342 57.675 57.345 -0.019 0.000 1.227 531 W CB 0.410 29.859 29.460 -0.018 0.000 1.178 531 W HN 0.348 nan 8.180 nan 0.000 0.560 532 K N 3.992 123.318 120.400 -1.790 0.000 2.587 532 K HA 0.296 4.616 4.320 -0.000 0.000 0.276 532 K C -0.032 175.684 176.600 -1.473 0.000 0.956 532 K CA -0.915 54.392 56.287 -1.634 0.000 0.857 532 K CB 1.637 33.722 32.500 -0.692 0.000 1.431 532 K HN 0.419 nan 8.250 nan 0.000 0.420 533 K N 0.058 119.840 120.400 -1.031 0.000 2.002 533 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 533 K C 0.177 176.607 176.600 -0.284 0.000 1.048 533 K CA 2.268 58.297 56.287 -0.431 0.000 0.930 533 K CB -0.283 32.040 32.500 -0.295 0.000 0.714 533 K HN 0.825 nan 8.250 nan 0.000 0.438 534 H N -2.236 116.692 119.070 -0.235 0.000 2.967 534 H HA 0.199 4.755 4.556 -0.000 0.000 0.318 534 H C -1.421 173.835 175.328 -0.121 0.000 1.375 534 H CA -1.446 54.511 56.048 -0.152 0.000 1.132 534 H CB 0.309 30.015 29.762 -0.093 0.000 1.848 534 H HN 0.022 nan 8.280 nan 0.000 0.524 535 D N -0.821 119.670 120.400 0.152 0.000 2.393 535 D HA 0.091 4.731 4.640 -0.000 0.000 0.250 535 D C 0.081 176.478 176.300 0.163 0.000 1.288 535 D CA -0.619 53.471 54.000 0.148 0.000 0.995 535 D CB 0.586 41.529 40.800 0.237 0.000 1.095 535 D HN 0.741 nan 8.370 nan 0.000 0.523 536 N N -0.736 118.012 118.700 0.080 0.000 2.305 536 N HA 0.092 4.831 4.740 -0.000 0.000 0.248 536 N C -0.161 175.243 175.510 -0.177 0.000 1.290 536 N CA -0.456 52.591 53.050 -0.005 0.000 0.873 536 N CB 0.371 38.865 38.487 0.012 0.000 1.261 536 N HN 0.476 nan 8.380 nan 0.000 0.504 537 I N 2.222 122.505 120.570 -0.479 0.000 3.156 537 I HA -0.104 4.066 4.170 -0.000 0.000 0.327 537 I C -2.067 173.815 176.117 -0.393 0.000 1.194 537 I CA -0.664 60.111 61.300 -0.875 0.000 1.473 537 I CB 0.725 38.107 38.000 -1.029 0.000 1.294 537 I HN 0.111 nan 8.210 nan 0.000 0.548 538 P HA 0.163 nan 4.420 nan 0.000 0.268 538 P C -0.754 176.454 177.300 -0.154 0.000 1.205 538 P CA 0.133 63.128 63.100 -0.175 0.000 0.771 538 P CB 0.571 32.191 31.700 -0.134 0.000 0.858 539 L N 0.000 121.149 121.223 -0.124 0.000 2.949 539 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 539 L CA 0.000 54.791 54.840 -0.082 0.000 0.813 539 L CB 0.000 42.013 42.059 -0.077 0.000 0.961 539 L HN 0.000 nan 8.230 nan 0.000 0.502