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 2a7s_1_A DATA FIRST_RESID 20 DATA SEQUENCE IDIHTTAGKL AELHKRREES LHPVGEDAVE KVHAKGKLTA RERIYALLDE DATA SEQUENCE DSFVELDALA KHRSTNFNLG EKRPLGDGVV TGYGTIDGRD VCIFSQDATV DATA SEQUENCE FGGSLGEVYG EKIVKVQELA IKTGRPLIGI NDGAGARIQE GVVSLGLYSR DATA SEQUENCE IFRNNILASG VIPQISLIMG AAAGGHVYSP ALTDFVIMVD QTSQMFITGP DATA SEQUENCE DVIKTVTGEE VTMEELGGAH THMAKSGTAH YAASGEQDAF DYVRELLSYL DATA SEQUENCE PPNNSTDAPR YQAAAPTGPI EENLTDEDLE LDTLIPDSPN QPYDMHEVIT DATA SEQUENCE RLLDDEFLEI QAGYAQNIVV GFGRIDGRPV GIVANQPTHF AGCLDINASE DATA SEQUENCE KAARFVRTCD CFNIPIVMLV DVPGFLPGTD QEYNGIIRRG AKLLYAYGEA DATA SEQUENCE TVPKITVITR KAYGGAYCVM GSKDMGCDVN LAWPTAQIAV MGASGAVGFV DATA SEQUENCE YRQQLAEAAA NGEDIDKLRL RLQQEYEDTL VNPYVAAERG YVDAVIPPSH DATA SEQUENCE TRGYIGTALR LLERKIAQLP PKKHGNVPL 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.138 176.117 0.036 0.000 1.063 20 I CA 0.000 61.315 61.300 0.025 0.000 1.566 20 I CB 0.000 38.014 38.000 0.023 0.000 1.214 21 D N 2.460 122.881 120.400 0.036 0.000 2.389 21 D HA 0.121 4.761 4.640 -0.000 0.000 0.263 21 D C 0.913 177.276 176.300 0.105 0.000 1.255 21 D CA 0.177 54.209 54.000 0.053 0.000 0.914 21 D CB 1.121 41.941 40.800 0.034 0.000 1.116 21 D HN 0.429 nan 8.370 nan 0.000 0.502 22 I N 3.975 124.638 120.570 0.155 0.000 3.369 22 I HA -0.144 4.026 4.170 -0.000 0.000 0.288 22 I C 0.875 177.094 176.117 0.171 0.000 1.321 22 I CA 0.854 62.247 61.300 0.154 0.000 1.358 22 I CB -0.355 37.727 38.000 0.138 0.000 1.038 22 I HN 0.413 nan 8.210 nan 0.000 0.516 23 H N -1.784 117.289 119.070 0.006 0.000 2.750 23 H HA 0.256 4.812 4.556 -0.000 0.000 0.263 23 H C 1.044 176.375 175.328 0.005 0.000 0.964 23 H CA 0.604 56.655 56.048 0.005 0.000 1.205 23 H CB -0.059 29.706 29.762 0.004 0.000 1.454 23 H HN 0.282 nan 8.280 nan 0.000 0.503 24 T N -2.785 111.843 114.554 0.123 0.000 2.902 24 T HA 0.131 4.481 4.350 -0.000 0.000 0.280 24 T C 1.467 176.194 174.700 0.044 0.000 0.992 24 T CA -0.248 61.894 62.100 0.069 0.000 1.015 24 T CB 1.603 70.503 68.868 0.054 0.000 1.044 24 T HN 0.023 nan 8.240 nan 0.000 0.520 25 T N 1.463 116.036 114.554 0.032 0.000 2.746 25 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 25 T C 2.395 177.113 174.700 0.030 0.000 1.039 25 T CA 1.499 63.613 62.100 0.024 0.000 1.142 25 T CB -0.871 68.008 68.868 0.019 0.000 0.866 25 T HN 0.817 nan 8.240 nan 0.000 0.444 26 A N 1.365 124.203 122.820 0.031 0.000 1.940 26 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 26 A C 2.622 180.230 177.584 0.040 0.000 1.176 26 A CA 1.887 53.944 52.037 0.033 0.000 0.631 26 A CB -1.330 17.685 19.000 0.025 0.000 0.814 26 A HN 0.522 nan 8.150 nan 0.000 0.446 27 G N -0.402 108.423 108.800 0.042 0.000 2.408 27 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 27 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 27 G C 1.663 176.590 174.900 0.046 0.000 1.150 27 G CA 1.019 46.147 45.100 0.047 0.000 0.776 27 G HN 0.596 nan 8.290 nan 0.000 0.542 28 K N -0.440 119.982 120.400 0.036 0.000 2.057 28 K HA 0.049 4.369 4.320 -0.000 0.000 0.206 28 K C 2.323 178.944 176.600 0.036 0.000 1.050 28 K CA 0.811 57.112 56.287 0.023 0.000 0.935 28 K CB -0.304 32.200 32.500 0.007 0.000 0.715 28 K HN 0.253 nan 8.250 nan 0.000 0.439 29 L N 1.335 122.590 121.223 0.054 0.000 2.083 29 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 29 L C 2.183 179.160 176.870 0.178 0.000 1.083 29 L CA 1.662 56.559 54.840 0.094 0.000 0.752 29 L CB -0.591 41.534 42.059 0.109 0.000 0.899 29 L HN 0.126 nan 8.230 nan 0.000 0.433 30 A N -0.852 122.045 122.820 0.128 0.000 1.930 30 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 30 A C 2.226 179.878 177.584 0.114 0.000 1.175 30 A CA 1.492 53.605 52.037 0.126 0.000 0.627 30 A CB -0.604 18.433 19.000 0.063 0.000 0.815 30 A HN 0.536 nan 8.150 nan 0.000 0.443 31 E N -0.070 120.173 120.200 0.072 0.000 2.072 31 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 31 E C 1.749 178.368 176.600 0.032 0.000 0.985 31 E CA 1.265 57.692 56.400 0.045 0.000 0.801 31 E CB -0.440 29.275 29.700 0.025 0.000 0.750 31 E HN 0.397 nan 8.360 nan 0.000 0.452 32 L N 0.200 121.431 121.223 0.014 0.000 2.046 32 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 32 L C 1.869 178.691 176.870 -0.080 0.000 1.077 32 L CA 2.127 56.933 54.840 -0.056 0.000 0.747 32 L CB -0.767 41.223 42.059 -0.115 0.000 0.896 32 L HN 0.249 nan 8.230 nan 0.000 0.432 33 H N -0.916 118.154 119.070 -0.001 0.000 2.491 33 H HA -0.101 4.455 4.556 -0.000 0.000 0.290 33 H C 2.117 177.446 175.328 0.002 0.000 1.050 33 H CA 1.465 57.514 56.048 0.001 0.000 1.309 33 H CB 0.076 29.841 29.762 0.005 0.000 1.392 33 H HN 0.299 nan 8.280 nan 0.000 0.554 34 K N 1.197 121.662 120.400 0.108 0.000 2.062 34 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 34 K C 1.818 178.433 176.600 0.025 0.000 1.051 34 K CA 0.956 57.283 56.287 0.066 0.000 0.941 34 K CB 0.157 32.689 32.500 0.053 0.000 0.719 34 K HN 0.289 nan 8.250 nan 0.000 0.440 35 R N 0.186 120.689 120.500 0.004 0.000 2.066 35 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 35 R C 2.564 178.841 176.300 -0.039 0.000 1.131 35 R CA 1.094 57.181 56.100 -0.021 0.000 0.955 35 R CB -0.369 29.916 30.300 -0.025 0.000 0.851 35 R HN 0.145 nan 8.270 nan 0.000 0.432 36 R N 0.928 121.405 120.500 -0.038 0.000 2.127 36 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 36 R C 2.145 178.429 176.300 -0.027 0.000 1.134 36 R CA 1.761 57.838 56.100 -0.039 0.000 0.975 36 R CB -0.008 30.254 30.300 -0.064 0.000 0.865 36 R HN 0.138 nan 8.270 nan 0.000 0.447 37 E N 0.528 120.718 120.200 -0.016 0.000 2.028 37 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 37 E C 1.636 178.110 176.600 -0.210 0.000 0.984 37 E CA 1.676 58.059 56.400 -0.028 0.000 0.800 37 E CB -0.174 29.552 29.700 0.043 0.000 0.758 37 E HN 0.344 nan 8.360 nan 0.000 0.448 38 E N -0.054 120.025 120.200 -0.203 0.000 2.160 38 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 38 E C 1.786 178.157 176.600 -0.382 0.000 0.991 38 E CA 1.313 57.498 56.400 -0.359 0.000 0.810 38 E CB -0.157 29.475 29.700 -0.114 0.000 0.742 38 E HN 0.404 nan 8.360 nan 0.000 0.466 39 S N 0.215 115.797 115.700 -0.197 0.000 2.442 39 S HA -0.109 4.361 4.470 -0.000 0.000 0.236 39 S C 1.905 176.443 174.600 -0.104 0.000 1.007 39 S CA 0.599 58.734 58.200 -0.108 0.000 0.965 39 S CB -0.367 62.806 63.200 -0.045 0.000 0.773 39 S HN 0.302 nan 8.310 nan 0.000 0.504 40 L N 1.508 122.625 121.223 -0.177 0.000 2.376 40 L HA 0.056 4.396 4.340 -0.000 0.000 0.219 40 L C 0.945 177.830 176.870 0.025 0.000 1.133 40 L CA 0.796 55.612 54.840 -0.040 0.000 0.816 40 L CB -0.573 41.506 42.059 0.033 0.000 0.933 40 L HN 0.680 nan 8.230 nan 0.000 0.449 41 H N -2.975 116.124 119.070 0.048 0.000 2.696 41 H HA 0.205 4.761 4.556 -0.000 0.000 0.221 41 H C -2.471 172.871 175.328 0.025 0.000 1.399 41 H CA -1.445 54.625 56.048 0.036 0.000 1.408 41 H CB 0.021 29.805 29.762 0.036 0.000 1.853 41 H HN -0.048 nan 8.280 nan 0.000 0.546 42 P HA -0.159 nan 4.420 nan 0.000 0.218 42 P C 1.075 178.398 177.300 0.038 0.000 1.146 42 P CA 1.364 64.474 63.100 0.016 0.000 0.820 42 P CB 0.194 31.905 31.700 0.018 0.000 0.778 43 V N -4.713 115.232 119.914 0.051 0.000 2.887 43 V HA 0.710 4.830 4.120 -0.000 0.000 0.370 43 V C 0.461 176.585 176.094 0.049 0.000 1.322 43 V CA -0.400 61.912 62.300 0.020 0.000 1.267 43 V CB -0.306 31.496 31.823 -0.035 0.000 1.344 43 V HN 0.338 nan 8.190 nan 0.000 0.573 44 G N 1.131 110.000 108.800 0.114 0.000 2.733 44 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 44 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 44 G C -0.065 174.847 174.900 0.020 0.000 1.373 44 G CA 0.130 45.273 45.100 0.071 0.000 0.838 44 G HN 0.471 nan 8.290 nan 0.000 0.588 45 E N 0.304 120.439 120.200 -0.109 0.000 2.208 45 E HA 0.063 4.413 4.350 -0.000 0.000 0.193 45 E C 1.910 178.492 176.600 -0.030 0.000 0.988 45 E CA 1.435 57.766 56.400 -0.115 0.000 0.828 45 E CB -0.017 29.559 29.700 -0.208 0.000 0.763 45 E HN 0.642 nan 8.360 nan 0.000 0.478 46 D N 0.668 121.054 120.400 -0.023 0.000 2.182 46 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 46 D C 1.794 178.098 176.300 0.007 0.000 0.986 46 D CA 1.392 55.389 54.000 -0.005 0.000 0.847 46 D CB -0.167 40.630 40.800 -0.006 0.000 0.942 46 D HN 0.246 nan 8.370 nan 0.000 0.467 47 A N 0.342 123.167 122.820 0.009 0.000 1.898 47 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 47 A C 2.326 179.915 177.584 0.008 0.000 1.181 47 A CA 0.996 53.038 52.037 0.008 0.000 0.620 47 A CB -0.735 18.270 19.000 0.009 0.000 0.819 47 A HN 0.160 nan 8.150 nan 0.000 0.442 48 V N 0.331 120.259 119.914 0.024 0.000 2.594 48 V HA -0.257 3.863 4.120 -0.000 0.000 0.253 48 V C 2.308 178.436 176.094 0.057 0.000 1.069 48 V CA 2.146 64.461 62.300 0.024 0.000 1.082 48 V CB -0.899 30.976 31.823 0.086 0.000 0.680 48 V HN 0.630 nan 8.190 nan 0.000 0.469 49 E N 0.274 120.517 120.200 0.071 0.000 2.047 49 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 49 E C 2.288 178.929 176.600 0.068 0.000 0.987 49 E CA 1.176 57.631 56.400 0.093 0.000 0.799 49 E CB -0.174 29.557 29.700 0.051 0.000 0.752 49 E HN 0.594 nan 8.360 nan 0.000 0.449 50 K N 0.628 121.046 120.400 0.030 0.000 2.097 50 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 50 K C 2.228 178.831 176.600 0.005 0.000 1.049 50 K CA 1.177 57.475 56.287 0.018 0.000 0.933 50 K CB -0.166 32.339 32.500 0.008 0.000 0.717 50 K HN -0.022 nan 8.250 nan 0.000 0.442 51 V N 0.991 120.884 119.914 -0.034 0.000 2.255 51 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 51 V C 1.886 177.922 176.094 -0.097 0.000 1.051 51 V CA 1.949 64.192 62.300 -0.096 0.000 1.018 51 V CB -0.662 31.050 31.823 -0.186 0.000 0.641 51 V HN 0.352 nan 8.190 nan 0.000 0.445 52 H N -0.255 118.828 119.070 0.021 0.000 2.457 52 H HA 0.057 4.612 4.556 -0.000 0.000 0.294 52 H C 2.183 177.519 175.328 0.014 0.000 1.064 52 H CA 1.031 57.091 56.048 0.020 0.000 1.330 52 H CB -0.127 29.646 29.762 0.019 0.000 1.395 52 H HN 0.454 nan 8.280 nan 0.000 0.541 53 A N 0.705 123.596 122.820 0.119 0.000 2.172 53 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 53 A C 1.632 179.243 177.584 0.046 0.000 1.154 53 A CA 1.090 53.168 52.037 0.070 0.000 0.701 53 A CB -0.047 18.982 19.000 0.048 0.000 0.789 53 A HN 0.334 nan 8.150 nan 0.000 0.465 54 K N -1.614 118.809 120.400 0.038 0.000 2.373 54 K HA 0.309 4.629 4.320 -0.000 0.000 0.202 54 K C 1.068 177.682 176.600 0.024 0.000 1.025 54 K CA 0.394 56.694 56.287 0.021 0.000 1.115 54 K CB 0.322 32.827 32.500 0.007 0.000 0.858 54 K HN 0.495 nan 8.250 nan 0.000 0.525 55 G N 2.130 110.959 108.800 0.049 0.000 2.184 55 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 55 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 55 G C -0.004 174.926 174.900 0.049 0.000 0.975 55 G CA 0.516 45.648 45.100 0.055 0.000 0.642 55 G HN 0.292 nan 8.290 nan 0.000 0.536 56 K N -0.533 119.880 120.400 0.021 0.000 2.102 56 K HA 0.696 5.016 4.320 -0.000 0.000 0.244 56 K C -0.006 176.585 176.600 -0.014 0.000 1.021 56 K CA -0.743 55.543 56.287 -0.000 0.000 0.913 56 K CB 0.966 33.453 32.500 -0.021 0.000 1.062 56 K HN 0.049 nan 8.250 nan 0.000 0.485 57 L N 0.371 121.592 121.223 -0.003 0.000 2.331 57 L HA 0.324 4.664 4.340 -0.000 0.000 0.268 57 L C 0.298 177.131 176.870 -0.060 0.000 1.015 57 L CA -0.206 54.633 54.840 -0.002 0.000 0.807 57 L CB 1.627 43.755 42.059 0.115 0.000 1.293 57 L HN 0.618 nan 8.230 nan 0.000 0.451 58 T N 0.232 114.748 114.554 -0.062 0.000 2.849 58 T HA 0.328 4.678 4.350 -0.000 0.000 0.284 58 T C 1.253 175.938 174.700 -0.025 0.000 1.004 58 T CA 0.162 62.231 62.100 -0.052 0.000 1.021 58 T CB 1.248 70.104 68.868 -0.020 0.000 1.013 58 T HN 0.689 nan 8.240 nan 0.000 0.527 59 A N 2.169 124.970 122.820 -0.033 0.000 1.873 59 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 59 A C 2.282 179.779 177.584 -0.145 0.000 1.193 59 A CA 2.103 54.104 52.037 -0.060 0.000 0.629 59 A CB -0.632 18.345 19.000 -0.038 0.000 0.826 59 A HN 0.923 nan 8.150 nan 0.000 0.447 60 R N -0.491 119.916 120.500 -0.155 0.000 2.090 60 R HA -0.016 4.324 4.340 -0.000 0.000 0.228 60 R C 1.691 177.794 176.300 -0.329 0.000 1.110 60 R CA 1.312 57.189 56.100 -0.373 0.000 0.973 60 R CB -0.628 29.511 30.300 -0.268 0.000 0.869 60 R HN 0.582 nan 8.270 nan 0.000 0.440 61 E N 0.999 121.216 120.200 0.028 0.000 2.209 61 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 61 E C 2.089 178.714 176.600 0.042 0.000 0.993 61 E CA 1.136 57.646 56.400 0.184 0.000 0.819 61 E CB -0.087 29.725 29.700 0.186 0.000 0.745 61 E HN 0.424 nan 8.360 nan 0.000 0.477 62 R N 0.298 120.765 120.500 -0.055 0.000 2.090 62 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 62 R C 2.392 178.450 176.300 -0.404 0.000 1.110 62 R CA 0.844 56.893 56.100 -0.085 0.000 0.973 62 R CB -0.116 30.216 30.300 0.054 0.000 0.869 62 R HN 0.170 nan 8.270 nan 0.000 0.440 63 I N -0.328 119.959 120.570 -0.471 0.000 2.252 63 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 63 I C 1.673 177.474 176.117 -0.527 0.000 1.102 63 I CA 1.267 62.191 61.300 -0.627 0.000 1.385 63 I CB -0.231 37.174 38.000 -0.992 0.000 1.064 63 I HN 0.128 nan 8.210 nan 0.000 0.414 64 Y N 0.839 120.932 120.300 -0.346 0.000 2.274 64 Y HA -0.205 4.345 4.550 -0.000 0.000 0.290 64 Y C 2.599 178.380 175.900 -0.199 0.000 1.145 64 Y CA 0.991 58.961 58.100 -0.218 0.000 1.203 64 Y CB -1.053 37.329 38.460 -0.130 0.000 0.984 64 Y HN 0.130 nan 8.280 nan 0.000 0.533 65 A N -0.353 122.395 122.820 -0.120 0.000 1.872 65 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 65 A C 2.214 179.587 177.584 -0.352 0.000 1.187 65 A CA 1.534 53.467 52.037 -0.174 0.000 0.614 65 A CB -1.036 17.900 19.000 -0.106 0.000 0.826 65 A HN 0.390 nan 8.150 nan 0.000 0.442 66 L N -0.220 120.577 121.223 -0.710 0.000 2.044 66 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 66 L C 0.935 177.655 176.870 -0.250 0.000 1.075 66 L CA 1.141 55.625 54.840 -0.593 0.000 0.747 66 L CB -0.446 41.167 42.059 -0.743 0.000 0.903 66 L HN 0.336 nan 8.230 nan 0.000 0.435 67 L N 0.374 121.474 121.223 -0.206 0.000 2.472 67 L HA 0.116 4.456 4.340 -0.000 0.000 0.260 67 L C 0.132 176.984 176.870 -0.029 0.000 1.209 67 L CA -0.769 54.023 54.840 -0.080 0.000 0.817 67 L CB -0.073 41.965 42.059 -0.034 0.000 1.106 67 L HN 0.118 nan 8.230 nan 0.000 0.479 68 D N 0.775 121.179 120.400 0.006 0.000 2.400 68 D HA -0.024 4.616 4.640 -0.000 0.000 0.238 68 D C 0.108 176.431 176.300 0.039 0.000 1.157 68 D CA 0.080 54.090 54.000 0.017 0.000 0.889 68 D CB 0.521 41.333 40.800 0.020 0.000 1.199 68 D HN 0.425 nan 8.370 nan 0.000 0.436 69 E N 0.906 121.124 120.200 0.030 0.000 2.480 69 E HA -0.121 4.229 4.350 -0.000 0.000 0.258 69 E C -0.292 176.335 176.600 0.045 0.000 0.984 69 E CA 0.017 56.437 56.400 0.034 0.000 0.930 69 E CB 0.158 29.866 29.700 0.014 0.000 0.936 69 E HN 0.260 nan 8.360 nan 0.000 0.466 70 D N 2.396 122.835 120.400 0.065 0.000 2.911 70 D HA -0.193 4.447 4.640 -0.000 0.000 0.227 70 D C 0.454 176.800 176.300 0.077 0.000 1.164 70 D CA 1.318 55.359 54.000 0.067 0.000 0.782 70 D CB -1.550 39.266 40.800 0.027 0.000 1.094 70 D HN 0.458 nan 8.370 nan 0.000 0.425 71 S N -1.404 114.360 115.700 0.107 0.000 2.523 71 S HA 0.129 4.599 4.470 -0.000 0.000 0.217 71 S C 0.410 175.059 174.600 0.083 0.000 0.996 71 S CA -0.610 57.638 58.200 0.080 0.000 0.921 71 S CB 0.289 63.533 63.200 0.074 0.000 0.829 71 S HN 0.187 nan 8.310 nan 0.000 0.495 72 F N 3.072 123.009 119.950 -0.021 0.000 2.484 72 F HA 0.529 5.056 4.527 -0.000 0.000 0.360 72 F C -0.489 175.204 175.800 -0.178 0.000 1.101 72 F CA -0.888 57.053 58.000 -0.098 0.000 1.251 72 F CB 1.097 40.066 39.000 -0.052 0.000 1.132 72 F HN -0.056 nan 8.300 nan 0.000 0.570 73 V N 6.372 125.482 119.914 -1.339 0.000 2.357 73 V HA 0.197 4.317 4.120 -0.000 0.000 0.281 73 V C -0.150 175.044 176.094 -1.500 0.000 1.015 73 V CA -0.980 60.598 62.300 -1.204 0.000 0.827 73 V CB 1.037 32.081 31.823 -1.298 0.000 1.018 73 V HN 0.764 nan 8.190 nan 0.000 0.432 74 E N 3.954 123.458 120.200 -1.161 0.000 2.383 74 E HA 0.525 4.875 4.350 -0.000 0.000 0.264 74 E C -1.159 175.255 176.600 -0.310 0.000 1.050 74 E CA -0.273 55.736 56.400 -0.652 0.000 0.896 74 E CB 0.960 30.580 29.700 -0.133 0.000 0.982 74 E HN 0.554 nan 8.360 nan 0.000 0.424 75 L N 2.842 123.983 121.223 -0.135 0.000 2.370 75 L HA 0.266 4.606 4.340 -0.000 0.000 0.266 75 L C -0.470 176.388 176.870 -0.020 0.000 1.002 75 L CA -0.879 53.928 54.840 -0.054 0.000 0.818 75 L CB 1.846 43.906 42.059 0.001 0.000 1.325 75 L HN 0.673 nan 8.230 nan 0.000 0.418 76 D N 1.704 122.092 120.400 -0.020 0.000 2.701 76 D HA -0.226 4.414 4.640 -0.000 0.000 0.235 76 D C 1.112 177.407 176.300 -0.008 0.000 1.155 76 D CA 1.038 55.029 54.000 -0.014 0.000 0.649 76 D CB -0.321 40.471 40.800 -0.012 0.000 1.050 76 D HN 0.773 nan 8.370 nan 0.000 0.425 77 A N -0.617 122.196 122.820 -0.011 0.000 2.067 77 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 77 A C 1.947 179.528 177.584 -0.004 0.000 1.158 77 A CA 0.754 52.791 52.037 0.000 0.000 0.661 77 A CB 0.163 19.162 19.000 -0.002 0.000 0.801 77 A HN 0.241 nan 8.150 nan 0.000 0.452 78 L N -0.745 120.471 121.223 -0.012 0.000 2.769 78 L HA 0.390 4.730 4.340 -0.000 0.000 0.240 78 L C 1.027 177.894 176.870 -0.006 0.000 1.163 78 L CA 0.174 55.006 54.840 -0.013 0.000 0.962 78 L CB -0.135 41.910 42.059 -0.024 0.000 1.258 78 L HN 0.282 nan 8.230 nan 0.000 0.513 79 A N 0.276 123.097 122.820 0.002 0.000 2.407 79 A HA 0.487 4.807 4.320 -0.000 0.000 0.248 79 A C 0.265 177.864 177.584 0.026 0.000 1.082 79 A CA 0.079 52.121 52.037 0.008 0.000 0.785 79 A CB 0.246 19.252 19.000 0.010 0.000 1.020 79 A HN 0.246 nan 8.150 nan 0.000 0.489 80 K N 0.729 121.138 120.400 0.016 0.000 2.422 80 K HA 0.355 4.675 4.320 -0.000 0.000 0.251 80 K C -0.836 175.768 176.600 0.008 0.000 0.933 80 K CA -0.779 55.517 56.287 0.014 0.000 0.798 80 K CB 1.735 34.208 32.500 -0.044 0.000 1.238 80 K HN 1.008 nan 8.250 nan 0.000 0.428 81 H N 0.632 119.737 119.070 0.058 0.000 2.836 81 H HA 0.069 4.625 4.556 -0.000 0.000 0.368 81 H C -0.328 175.004 175.328 0.007 0.000 1.164 81 H CA -0.052 56.011 56.048 0.024 0.000 1.425 81 H CB 0.608 30.376 29.762 0.010 0.000 1.414 81 H HN 0.530 nan 8.280 nan 0.000 0.614 82 R N 2.259 122.834 120.500 0.125 0.000 2.983 82 R HA 0.383 4.723 4.340 -0.000 0.000 0.300 82 R C -0.888 175.490 176.300 0.129 0.000 1.367 82 R CA -0.600 55.525 56.100 0.043 0.000 1.564 82 R CB 0.205 30.507 30.300 0.003 0.000 1.314 82 R HN 0.434 nan 8.270 nan 0.000 0.622 83 S N 0.384 116.280 115.700 0.327 0.000 2.578 83 S HA 0.461 4.931 4.470 -0.000 0.000 0.301 83 S C 0.482 175.149 174.600 0.112 0.000 1.091 83 S CA -0.364 57.922 58.200 0.145 0.000 1.032 83 S CB 1.683 64.894 63.200 0.018 0.000 1.064 83 S HN 0.495 nan 8.310 nan 0.000 0.508 84 T N -0.040 114.513 114.554 -0.002 0.000 3.332 84 T HA 0.343 4.693 4.350 -0.000 0.000 0.304 84 T C -0.343 174.294 174.700 -0.105 0.000 0.971 84 T CA -0.620 61.468 62.100 -0.021 0.000 0.954 84 T CB -0.428 68.423 68.868 -0.028 0.000 1.175 84 T HN 0.471 nan 8.240 nan 0.000 0.519 85 N N 1.985 120.568 118.700 -0.196 0.000 2.509 85 N HA 0.421 5.161 4.740 -0.000 0.000 0.287 85 N C -0.318 174.981 175.510 -0.352 0.000 1.121 85 N CA -0.677 52.092 53.050 -0.468 0.000 0.977 85 N CB 0.267 38.329 38.487 -0.708 0.000 1.167 85 N HN 0.138 nan 8.380 nan 0.000 0.476 86 F N 0.048 119.996 119.950 -0.004 0.000 2.907 86 F HA -0.273 4.254 4.527 -0.000 0.000 0.244 86 F C 0.266 176.075 175.800 0.015 0.000 1.007 86 F CA -0.305 57.695 58.000 0.001 0.000 0.872 86 F CB -2.415 36.578 39.000 -0.012 0.000 0.767 86 F HN 0.553 nan 8.300 nan 0.000 0.837 87 N N -0.392 118.380 118.700 0.120 0.000 2.686 87 N HA -0.216 4.524 4.740 -0.000 0.000 0.261 87 N C 0.866 176.453 175.510 0.129 0.000 1.001 87 N CA 0.751 53.866 53.050 0.108 0.000 0.764 87 N CB -0.532 38.021 38.487 0.111 0.000 0.898 87 N HN 0.467 nan 8.380 nan 0.000 0.544 88 L N -0.546 120.745 121.223 0.113 0.000 2.463 88 L HA 0.140 4.480 4.340 -0.000 0.000 0.219 88 L C 2.175 179.213 176.870 0.280 0.000 1.088 88 L CA 1.521 56.441 54.840 0.132 0.000 0.849 88 L CB -0.716 41.329 42.059 -0.024 0.000 1.012 88 L HN 0.391 nan 8.230 nan 0.000 0.468 89 G N -0.602 108.325 108.800 0.211 0.000 2.708 89 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.210 89 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.210 89 G C 1.269 176.247 174.900 0.129 0.000 1.141 89 G CA 0.019 45.219 45.100 0.168 0.000 0.788 89 G HN 0.359 nan 8.290 nan 0.000 0.531 90 E N 0.173 120.468 120.200 0.158 0.000 2.033 90 E HA -0.013 4.337 4.350 -0.000 0.000 0.189 90 E C 1.020 177.703 176.600 0.138 0.000 0.979 90 E CA 0.637 57.111 56.400 0.123 0.000 0.802 90 E CB 0.105 29.875 29.700 0.117 0.000 0.763 90 E HN 0.371 nan 8.360 nan 0.000 0.449 91 K N 1.056 121.588 120.400 0.220 0.000 2.367 91 K HA 0.283 4.603 4.320 -0.000 0.000 0.263 91 K C -0.786 176.035 176.600 0.367 0.000 1.000 91 K CA -0.285 56.130 56.287 0.213 0.000 0.891 91 K CB 0.750 33.341 32.500 0.153 0.000 1.117 91 K HN -0.170 nan 8.250 nan 0.000 0.443 92 R N 5.009 125.635 120.500 0.211 0.000 2.547 92 R HA 0.256 4.596 4.340 -0.000 0.000 0.280 92 R C -2.403 173.978 176.300 0.136 0.000 1.630 92 R CA -1.646 54.566 56.100 0.186 0.000 1.470 92 R CB 1.065 31.292 30.300 -0.122 0.000 1.178 92 R HN 0.506 nan 8.270 nan 0.000 0.591 93 P HA 0.031 nan 4.420 nan 0.000 0.272 93 P C -0.242 177.117 177.300 0.097 0.000 1.223 93 P CA -0.185 62.972 63.100 0.095 0.000 0.784 93 P CB 1.129 32.859 31.700 0.050 0.000 0.923 94 L N 1.454 122.706 121.223 0.049 0.000 2.367 94 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 94 L C 1.775 178.672 176.870 0.045 0.000 1.129 94 L CA 0.822 55.682 54.840 0.033 0.000 0.839 94 L CB -0.118 41.940 42.059 -0.001 0.000 1.133 94 L HN 0.866 nan 8.230 nan 0.000 0.453 95 G N 1.369 110.198 108.800 0.049 0.000 2.279 95 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.223 95 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.223 95 G C 0.611 175.563 174.900 0.086 0.000 1.015 95 G CA 0.274 45.403 45.100 0.048 0.000 0.621 95 G HN 0.756 nan 8.290 nan 0.000 0.506 96 D N -1.345 119.148 120.400 0.155 0.000 2.837 96 D HA -0.075 4.565 4.640 -0.000 0.000 0.195 96 D C 1.819 178.328 176.300 0.349 0.000 1.033 96 D CA 3.590 57.748 54.000 0.262 0.000 1.021 96 D CB -1.445 39.486 40.800 0.218 0.000 1.101 96 D HN 2.290 nan 8.370 nan 0.000 0.431 97 G N -1.587 107.352 108.800 0.232 0.000 2.148 97 G HA2 0.073 4.033 3.960 -0.000 0.000 0.157 97 G HA3 0.073 4.033 3.960 -0.000 0.000 0.157 97 G C -0.115 174.873 174.900 0.146 0.000 1.012 97 G CA 0.546 45.803 45.100 0.262 0.000 0.677 97 G HN 1.177 nan 8.290 nan 0.000 0.506 98 V N 0.081 119.973 119.914 -0.036 0.000 2.851 98 V HA 0.723 4.843 4.120 -0.000 0.000 0.307 98 V C -0.835 175.209 176.094 -0.085 0.000 1.129 98 V CA -0.642 61.539 62.300 -0.198 0.000 0.932 98 V CB 2.382 33.792 31.823 -0.689 0.000 1.024 98 V HN 0.601 nan 8.190 nan 0.000 0.426 99 V N 5.946 125.835 119.914 -0.040 0.000 2.313 99 V HA 0.604 4.724 4.120 -0.000 0.000 0.278 99 V C 0.345 176.483 176.094 0.073 0.000 1.017 99 V CA 0.005 62.305 62.300 -0.001 0.000 0.823 99 V CB 1.356 33.134 31.823 -0.075 0.000 1.010 99 V HN 1.051 nan 8.190 nan 0.000 0.443 100 T N 1.463 116.096 114.554 0.133 0.000 2.950 100 T HA 1.001 5.351 4.350 -0.000 0.000 0.288 100 T C 0.151 175.022 174.700 0.285 0.000 1.035 100 T CA -0.062 62.159 62.100 0.202 0.000 1.028 100 T CB 2.375 71.302 68.868 0.100 0.000 1.109 100 T HN 1.273 nan 8.240 nan 0.000 0.514 101 G N 0.024 108.991 108.800 0.278 0.000 2.368 101 G HA2 0.458 4.418 3.960 -0.000 0.000 0.269 101 G HA3 0.458 4.418 3.960 -0.000 0.000 0.269 101 G C -2.020 173.024 174.900 0.240 0.000 1.291 101 G CA -0.342 44.821 45.100 0.104 0.000 0.903 101 G HN 1.487 nan 8.290 nan 0.000 0.483 102 Y N -1.720 118.566 120.300 -0.023 0.000 2.597 102 Y HA 0.892 5.442 4.550 -0.000 0.000 0.340 102 Y C 0.318 176.249 175.900 0.051 0.000 1.097 102 Y CA -0.413 57.715 58.100 0.047 0.000 1.037 102 Y CB 1.369 39.825 38.460 -0.006 0.000 1.305 102 Y HN 1.675 nan 8.280 nan 0.000 0.463 103 G N 0.063 109.014 108.800 0.251 0.000 2.694 103 G HA2 0.583 4.543 3.960 -0.000 0.000 0.246 103 G HA3 0.583 4.543 3.960 -0.000 0.000 0.246 103 G C -1.380 173.609 174.900 0.149 0.000 1.205 103 G CA -0.400 44.800 45.100 0.168 0.000 0.891 103 G HN 1.305 nan 8.290 nan 0.000 0.515 104 T N -1.740 112.871 114.554 0.095 0.000 3.032 104 T HA 0.649 4.999 4.350 -0.000 0.000 0.312 104 T C -1.044 173.673 174.700 0.029 0.000 1.078 104 T CA -0.454 61.681 62.100 0.060 0.000 1.028 104 T CB 1.557 70.457 68.868 0.053 0.000 1.091 104 T HN 0.511 nan 8.240 nan 0.000 0.457 105 I N 3.008 123.584 120.570 0.010 0.000 2.347 105 I HA 0.300 4.470 4.170 -0.000 0.000 0.283 105 I C -0.431 175.677 176.117 -0.016 0.000 1.058 105 I CA -0.154 61.140 61.300 -0.010 0.000 1.202 105 I CB 0.431 38.417 38.000 -0.022 0.000 1.386 105 I HN 0.810 nan 8.210 nan 0.000 0.475 106 D N 4.965 125.358 120.400 -0.012 0.000 2.846 106 D HA -0.142 4.498 4.640 -0.000 0.000 0.231 106 D C 1.024 177.316 176.300 -0.015 0.000 1.102 106 D CA 1.516 55.506 54.000 -0.017 0.000 0.744 106 D CB -1.088 39.696 40.800 -0.026 0.000 1.092 106 D HN 1.003 nan 8.370 nan 0.000 0.437 107 G N -0.539 108.258 108.800 -0.005 0.000 2.184 107 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.264 107 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.264 107 G C 0.334 175.235 174.900 0.001 0.000 0.975 107 G CA 0.546 45.645 45.100 -0.002 0.000 0.642 107 G HN 0.531 nan 8.290 nan 0.000 0.536 108 R N 0.938 121.437 120.500 -0.002 0.000 2.338 108 R HA 0.471 4.811 4.340 -0.000 0.000 0.317 108 R C -0.869 175.439 176.300 0.012 0.000 0.968 108 R CA -0.956 55.143 56.100 -0.002 0.000 0.849 108 R CB 0.945 31.235 30.300 -0.017 0.000 1.128 108 R HN 0.102 nan 8.270 nan 0.000 0.448 109 D N 2.086 122.497 120.400 0.019 0.000 2.525 109 D HA 0.120 4.760 4.640 -0.000 0.000 0.235 109 D C -0.173 176.150 176.300 0.038 0.000 1.137 109 D CA 0.527 54.552 54.000 0.041 0.000 0.868 109 D CB 0.879 41.690 40.800 0.019 0.000 1.180 109 D HN 0.258 nan 8.370 nan 0.000 0.465 110 V N -0.472 119.487 119.914 0.074 0.000 3.012 110 V HA 0.524 4.644 4.120 -0.000 0.000 0.307 110 V C -0.670 175.502 176.094 0.129 0.000 1.166 110 V CA -0.997 61.346 62.300 0.071 0.000 0.974 110 V CB 1.602 33.452 31.823 0.045 0.000 1.040 110 V HN 0.581 nan 8.190 nan 0.000 0.428 111 C N 4.709 124.082 119.300 0.122 0.000 2.319 111 C HA 0.859 5.319 4.460 -0.000 0.000 0.335 111 C C 0.043 175.140 174.990 0.177 0.000 1.274 111 C CA -0.289 58.835 59.018 0.176 0.000 1.806 111 C CB 0.044 27.868 27.740 0.141 0.000 2.329 111 C HN 0.988 nan 8.230 nan 0.000 0.524 112 I N 3.062 123.761 120.570 0.214 0.000 3.095 112 I HA 0.851 5.021 4.170 -0.000 0.000 0.310 112 I C -1.578 174.683 176.117 0.240 0.000 1.196 112 I CA -0.816 60.574 61.300 0.150 0.000 0.985 112 I CB 1.948 39.962 38.000 0.023 0.000 1.250 112 I HN 0.762 nan 8.210 nan 0.000 0.446 113 F N 3.239 123.188 119.950 -0.002 0.000 2.628 113 F HA 0.725 5.252 4.527 -0.000 0.000 0.309 113 F C -1.445 174.314 175.800 -0.069 0.000 1.108 113 F CA -0.676 57.303 58.000 -0.036 0.000 0.971 113 F CB 1.274 40.256 39.000 -0.029 0.000 1.279 113 F HN 0.298 nan 8.300 nan 0.000 0.441 114 S N 2.199 117.861 115.700 -0.063 0.000 2.521 114 S HA 0.506 4.976 4.470 -0.000 0.000 0.295 114 S C -1.325 173.275 174.600 0.000 0.000 1.098 114 S CA -0.594 57.530 58.200 -0.127 0.000 0.999 114 S CB 1.493 64.590 63.200 -0.172 0.000 1.034 114 S HN 0.772 nan 8.310 nan 0.000 0.483 115 Q N 2.391 122.212 119.800 0.036 0.000 2.243 115 Q HA 0.319 4.659 4.340 -0.000 0.000 0.252 115 Q C -1.108 174.946 176.000 0.090 0.000 0.909 115 Q CA -0.679 55.191 55.803 0.112 0.000 0.922 115 Q CB 1.064 29.934 28.738 0.221 0.000 1.215 115 Q HN 0.526 nan 8.270 nan 0.000 0.427 116 D N 1.277 121.749 120.400 0.120 0.000 2.428 116 D HA 0.237 4.877 4.640 -0.000 0.000 0.221 116 D C 0.215 176.593 176.300 0.129 0.000 1.123 116 D CA -0.189 53.868 54.000 0.094 0.000 0.869 116 D CB 1.356 42.203 40.800 0.079 0.000 1.032 116 D HN 0.692 nan 8.370 nan 0.000 0.506 117 A N 2.749 125.626 122.820 0.094 0.000 2.121 117 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 117 A C 1.992 179.619 177.584 0.072 0.000 1.154 117 A CA 1.667 53.761 52.037 0.094 0.000 0.679 117 A CB -0.425 18.612 19.000 0.063 0.000 0.795 117 A HN 0.606 nan 8.150 nan 0.000 0.458 118 T N -3.055 111.528 114.554 0.048 0.000 3.055 118 T HA 0.117 4.467 4.350 -0.000 0.000 0.265 118 T C 0.399 175.097 174.700 -0.003 0.000 1.111 118 T CA 0.799 62.910 62.100 0.018 0.000 1.118 118 T CB -0.410 68.461 68.868 0.005 0.000 0.909 118 T HN 0.033 nan 8.240 nan 0.000 0.501 119 V N 2.795 122.730 119.914 0.035 0.000 2.304 119 V HA 0.413 4.533 4.120 -0.000 0.000 0.269 119 V C -0.237 175.934 176.094 0.128 0.000 1.036 119 V CA -0.882 61.414 62.300 -0.007 0.000 0.840 119 V CB -0.953 30.926 31.823 0.093 0.000 1.036 119 V HN 0.491 nan 8.190 nan 0.000 0.466 120 F N 3.209 123.193 119.950 0.056 0.000 3.093 120 F HA -0.224 4.303 4.527 -0.000 0.000 0.287 120 F C 1.692 177.510 175.800 0.030 0.000 0.882 120 F CA 1.143 59.162 58.000 0.031 0.000 1.063 120 F CB -1.693 37.313 39.000 0.010 0.000 1.097 120 F HN 0.845 nan 8.300 nan 0.000 0.604 121 G N -0.941 107.958 108.800 0.165 0.000 2.187 121 G HA2 0.104 4.064 3.960 -0.000 0.000 0.261 121 G HA3 0.104 4.064 3.960 -0.000 0.000 0.261 121 G C 1.681 176.669 174.900 0.146 0.000 1.000 121 G CA 1.202 46.378 45.100 0.127 0.000 0.718 121 G HN 2.239 nan 8.290 nan 0.000 0.519 122 G N -1.942 106.975 108.800 0.196 0.000 2.148 122 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.254 122 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.254 122 G C 0.492 175.508 174.900 0.193 0.000 0.981 122 G CA 0.829 46.079 45.100 0.250 0.000 0.670 122 G HN 1.726 nan 8.290 nan 0.000 0.528 123 S N -0.338 115.398 115.700 0.059 0.000 2.564 123 S HA 0.468 4.938 4.470 -0.000 0.000 0.278 123 S C 0.508 174.767 174.600 -0.568 0.000 1.333 123 S CA -0.239 57.866 58.200 -0.158 0.000 1.048 123 S CB 1.597 64.730 63.200 -0.112 0.000 0.900 123 S HN 0.811 nan 8.310 nan 0.000 0.505 124 L N 3.560 124.281 121.223 -0.836 0.000 2.319 124 L HA 0.630 4.970 4.340 -0.000 0.000 0.280 124 L C 0.568 177.000 176.870 -0.730 0.000 1.099 124 L CA 0.086 54.154 54.840 -1.288 0.000 0.828 124 L CB 0.094 41.477 42.059 -1.127 0.000 1.150 124 L HN 0.696 nan 8.230 nan 0.000 0.442 125 G N 2.687 111.170 108.800 -0.529 0.000 3.016 125 G HA2 0.200 4.160 3.960 -0.000 0.000 0.270 125 G HA3 0.200 4.160 3.960 -0.000 0.000 0.270 125 G C 0.078 174.873 174.900 -0.175 0.000 1.352 125 G CA -0.074 44.847 45.100 -0.298 0.000 1.060 125 G HN 0.747 nan 8.290 nan 0.000 0.538 126 E N -1.250 118.880 120.200 -0.117 0.000 2.007 126 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 126 E C 2.538 179.127 176.600 -0.017 0.000 0.999 126 E CA 1.456 57.811 56.400 -0.075 0.000 0.811 126 E CB -0.170 29.497 29.700 -0.054 0.000 0.762 126 E HN 0.154 nan 8.360 nan 0.000 0.450 127 V N 0.796 120.727 119.914 0.028 0.000 2.392 127 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 127 V C 2.212 178.355 176.094 0.081 0.000 1.059 127 V CA 2.051 64.381 62.300 0.049 0.000 1.051 127 V CB -0.793 31.075 31.823 0.075 0.000 0.658 127 V HN 0.426 nan 8.190 nan 0.000 0.455 128 Y N 1.985 122.257 120.300 -0.046 0.000 2.128 128 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 128 Y C 2.318 178.156 175.900 -0.103 0.000 1.154 128 Y CA 1.740 59.812 58.100 -0.047 0.000 1.149 128 Y CB -0.924 37.508 38.460 -0.047 0.000 0.976 128 Y HN 0.184 nan 8.280 nan 0.000 0.505 129 G N -0.427 108.479 108.800 0.176 0.000 2.421 129 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 129 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 129 G C 1.498 176.363 174.900 -0.058 0.000 1.171 129 G CA 0.901 46.006 45.100 0.008 0.000 0.775 129 G HN 0.509 nan 8.290 nan 0.000 0.543 130 E N 0.416 120.590 120.200 -0.044 0.000 2.097 130 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 130 E C 2.513 179.072 176.600 -0.068 0.000 1.000 130 E CA 1.155 57.523 56.400 -0.052 0.000 0.804 130 E CB -0.087 29.594 29.700 -0.032 0.000 0.740 130 E HN 0.390 nan 8.360 nan 0.000 0.454 131 K N 0.231 120.586 120.400 -0.076 0.000 2.097 131 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 131 K C 2.128 178.631 176.600 -0.163 0.000 1.049 131 K CA 0.977 57.203 56.287 -0.101 0.000 0.933 131 K CB -0.053 32.377 32.500 -0.117 0.000 0.717 131 K HN 0.185 nan 8.250 nan 0.000 0.442 132 I N 0.436 120.859 120.570 -0.245 0.000 2.333 132 I HA -0.216 3.954 4.170 -0.000 0.000 0.246 132 I C 2.149 178.104 176.117 -0.269 0.000 1.106 132 I CA 0.736 61.786 61.300 -0.416 0.000 1.411 132 I CB -0.122 37.546 38.000 -0.553 0.000 1.082 132 I HN -0.097 nan 8.210 nan 0.000 0.420 133 V N 1.333 121.145 119.914 -0.170 0.000 2.392 133 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 133 V C 2.520 178.569 176.094 -0.075 0.000 1.059 133 V CA 2.008 64.243 62.300 -0.107 0.000 1.051 133 V CB -0.758 31.017 31.823 -0.080 0.000 0.658 133 V HN 0.438 nan 8.190 nan 0.000 0.455 134 K N 0.090 120.447 120.400 -0.071 0.000 2.057 134 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 134 K C 1.977 178.564 176.600 -0.022 0.000 1.049 134 K CA 1.764 58.028 56.287 -0.039 0.000 0.931 134 K CB -0.124 32.358 32.500 -0.030 0.000 0.714 134 K HN 0.382 nan 8.250 nan 0.000 0.440 135 V N 1.464 121.361 119.914 -0.028 0.000 2.427 135 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 135 V C 2.325 178.436 176.094 0.029 0.000 1.051 135 V CA 1.648 63.964 62.300 0.026 0.000 1.048 135 V CB -0.602 31.257 31.823 0.061 0.000 0.666 135 V HN 0.387 nan 8.190 nan 0.000 0.456 136 Q N 0.111 119.906 119.800 -0.009 0.000 2.061 136 Q HA -0.241 4.099 4.340 -0.000 0.000 0.204 136 Q C 2.314 178.326 176.000 0.020 0.000 0.984 136 Q CA 1.916 57.730 55.803 0.017 0.000 0.846 136 Q CB -0.203 28.531 28.738 -0.007 0.000 0.902 136 Q HN 0.711 nan 8.270 nan 0.000 0.421 137 E N 0.308 120.509 120.200 0.002 0.000 2.204 137 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 137 E C 1.936 178.534 176.600 -0.003 0.000 0.989 137 E CA 0.494 56.894 56.400 0.000 0.000 0.824 137 E CB -0.005 29.689 29.700 -0.009 0.000 0.756 137 E HN 0.166 nan 8.360 nan 0.000 0.477 138 L N 1.022 122.243 121.223 -0.004 0.000 2.044 138 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 138 L C 2.242 179.102 176.870 -0.016 0.000 1.075 138 L CA 1.890 56.717 54.840 -0.022 0.000 0.747 138 L CB -0.599 41.448 42.059 -0.021 0.000 0.903 138 L HN 0.004 nan 8.230 nan 0.000 0.435 139 A N -0.146 122.684 122.820 0.016 0.000 1.902 139 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 139 A C 2.261 179.859 177.584 0.025 0.000 1.181 139 A CA 2.184 54.238 52.037 0.028 0.000 0.623 139 A CB -0.924 18.114 19.000 0.064 0.000 0.818 139 A HN 0.529 nan 8.150 nan 0.000 0.443 140 I N -0.737 119.850 120.570 0.029 0.000 2.315 140 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 140 I C 2.526 178.653 176.117 0.015 0.000 1.117 140 I CA 1.736 63.054 61.300 0.031 0.000 1.404 140 I CB -0.262 37.757 38.000 0.033 0.000 1.071 140 I HN 0.382 nan 8.210 nan 0.000 0.419 141 K N 0.958 121.358 120.400 0.001 0.000 2.097 141 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 141 K C 2.014 178.602 176.600 -0.020 0.000 1.050 141 K CA 1.934 58.214 56.287 -0.011 0.000 0.938 141 K CB -0.017 32.470 32.500 -0.022 0.000 0.718 141 K HN 0.404 nan 8.250 nan 0.000 0.442 142 T N -3.220 111.316 114.554 -0.029 0.000 3.081 142 T HA 0.158 4.508 4.350 -0.000 0.000 0.255 142 T C 1.129 175.818 174.700 -0.018 0.000 1.113 142 T CA 0.416 62.492 62.100 -0.040 0.000 1.082 142 T CB 0.169 68.994 68.868 -0.072 0.000 0.939 142 T HN 0.350 nan 8.240 nan 0.000 0.506 143 G N 2.418 111.218 108.800 0.000 0.000 2.246 143 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 143 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 143 G C -0.134 174.773 174.900 0.012 0.000 1.055 143 G CA -0.276 44.834 45.100 0.017 0.000 0.851 143 G HN 0.636 nan 8.290 nan 0.000 0.500 144 R N -0.835 119.670 120.500 0.008 0.000 2.832 144 R HA 0.618 4.958 4.340 -0.000 0.000 0.271 144 R C -2.601 173.707 176.300 0.013 0.000 0.996 144 R CA -2.735 53.367 56.100 0.003 0.000 0.977 144 R CB 0.165 30.464 30.300 -0.002 0.000 1.168 144 R HN 0.040 nan 8.270 nan 0.000 0.482 145 P HA 0.049 nan 4.420 nan 0.000 0.269 145 P C -0.666 176.661 177.300 0.045 0.000 1.217 145 P CA -0.285 62.815 63.100 0.001 0.000 0.783 145 P CB 0.452 32.132 31.700 -0.033 0.000 0.898 146 L N 3.419 124.684 121.223 0.070 0.000 2.372 146 L HA 0.489 4.829 4.340 -0.000 0.000 0.274 146 L C -1.229 175.708 176.870 0.111 0.000 0.988 146 L CA -0.248 54.661 54.840 0.116 0.000 0.833 146 L CB 0.455 42.605 42.059 0.151 0.000 1.236 146 L HN 0.220 nan 8.230 nan 0.000 0.410 147 I N 4.469 125.086 120.570 0.078 0.000 2.354 147 I HA 0.636 4.806 4.170 -0.000 0.000 0.292 147 I C 0.481 176.493 176.117 -0.175 0.000 0.989 147 I CA -0.535 60.761 61.300 -0.006 0.000 1.188 147 I CB 1.856 39.837 38.000 -0.031 0.000 1.342 147 I HN 0.773 nan 8.210 nan 0.000 0.457 148 G N 7.168 115.784 108.800 -0.306 0.000 2.626 148 G HA2 0.676 4.636 3.960 -0.000 0.000 0.304 148 G HA3 0.676 4.636 3.960 -0.000 0.000 0.304 148 G C -0.738 173.772 174.900 -0.650 0.000 1.385 148 G CA -0.438 44.047 45.100 -1.025 0.000 0.957 148 G HN 0.507 nan 8.290 nan 0.000 0.504 149 I N 2.199 122.350 120.570 -0.698 0.000 2.297 149 I HA 0.185 4.355 4.170 -0.000 0.000 0.291 149 I C -0.493 175.484 176.117 -0.233 0.000 1.033 149 I CA -0.782 60.337 61.300 -0.301 0.000 1.253 149 I CB 1.105 38.995 38.000 -0.183 0.000 1.396 149 I HN 0.295 nan 8.210 nan 0.000 0.476 150 N N 5.080 123.702 118.700 -0.131 0.000 2.456 150 N HA 0.515 5.255 4.740 -0.000 0.000 0.288 150 N C -0.981 174.489 175.510 -0.067 0.000 1.059 150 N CA -0.467 52.529 53.050 -0.090 0.000 0.946 150 N CB 1.100 39.525 38.487 -0.103 0.000 1.150 150 N HN 0.512 nan 8.380 nan 0.000 0.479 151 D N 0.661 121.034 120.400 -0.046 0.000 2.219 151 D HA 0.485 5.125 4.640 -0.000 0.000 0.191 151 D C -1.114 175.221 176.300 0.058 0.000 1.272 151 D CA -0.213 53.783 54.000 -0.006 0.000 0.873 151 D CB 0.085 40.889 40.800 0.007 0.000 1.730 151 D HN 0.699 nan 8.370 nan 0.000 0.519 152 G N 1.024 109.863 108.800 0.066 0.000 2.358 152 G HA2 0.639 4.599 3.960 -0.000 0.000 0.301 152 G HA3 0.639 4.599 3.960 -0.000 0.000 0.301 152 G C -0.432 174.576 174.900 0.180 0.000 1.539 152 G CA -0.096 45.097 45.100 0.155 0.000 0.893 152 G HN 0.681 nan 8.290 nan 0.000 0.636 153 A N -0.062 122.840 122.820 0.137 0.000 2.275 153 A HA 0.797 5.117 4.320 -0.000 0.000 0.276 153 A C 1.609 179.254 177.584 0.102 0.000 1.232 153 A CA 1.066 53.159 52.037 0.093 0.000 0.814 153 A CB -0.448 18.593 19.000 0.068 0.000 1.145 153 A HN 2.263 nan 8.150 nan 0.000 0.508 154 G N -1.653 107.170 108.800 0.038 0.000 2.479 154 G HA2 0.507 4.467 3.960 -0.000 0.000 0.275 154 G HA3 0.507 4.467 3.960 -0.000 0.000 0.275 154 G C 0.567 175.432 174.900 -0.057 0.000 1.421 154 G CA 0.122 45.222 45.100 0.000 0.000 1.059 154 G HN 1.553 nan 8.290 nan 0.000 0.535 155 A N -0.939 121.888 122.820 0.012 0.000 2.425 155 A HA 0.422 4.742 4.320 -0.000 0.000 0.242 155 A C 0.940 178.459 177.584 -0.108 0.000 1.077 155 A CA -0.266 51.749 52.037 -0.037 0.000 0.781 155 A CB 0.116 19.201 19.000 0.143 0.000 1.020 155 A HN 0.602 nan 8.150 nan 0.000 0.494 156 R N 1.933 122.311 120.500 -0.202 0.000 2.351 156 R HA 0.192 4.532 4.340 -0.000 0.000 0.321 156 R C 0.199 176.420 176.300 -0.132 0.000 1.182 156 R CA -0.352 55.626 56.100 -0.203 0.000 1.011 156 R CB -0.356 29.743 30.300 -0.335 0.000 1.048 156 R HN 0.679 nan 8.270 nan 0.000 0.490 157 I N 3.418 123.946 120.570 -0.071 0.000 2.194 157 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 157 I C 2.032 178.178 176.117 0.049 0.000 1.093 157 I CA 1.445 62.735 61.300 -0.017 0.000 1.355 157 I CB -0.335 37.650 38.000 -0.024 0.000 1.046 157 I HN 0.592 nan 8.210 nan 0.000 0.413 158 Q N 0.592 120.425 119.800 0.056 0.000 2.112 158 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 158 Q C 2.165 178.211 176.000 0.077 0.000 0.987 158 Q CA 1.673 57.621 55.803 0.242 0.000 0.858 158 Q CB -0.466 28.356 28.738 0.140 0.000 0.905 158 Q HN 0.573 nan 8.270 nan 0.000 0.420 159 E N -0.504 119.652 120.200 -0.073 0.000 2.347 159 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 159 E C 0.774 177.333 176.600 -0.068 0.000 1.008 159 E CA 0.339 56.671 56.400 -0.114 0.000 0.852 159 E CB 0.040 29.636 29.700 -0.173 0.000 0.783 159 E HN 0.382 nan 8.360 nan 0.000 0.505 160 G N 0.164 108.954 108.800 -0.018 0.000 2.482 160 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.214 160 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.214 160 G C 0.731 175.625 174.900 -0.010 0.000 1.271 160 G CA -0.115 44.986 45.100 0.002 0.000 0.944 160 G HN 0.374 nan 8.290 nan 0.000 0.568 161 V N -0.517 119.396 119.914 -0.003 0.000 3.305 161 V HA 0.113 4.233 4.120 -0.000 0.000 0.269 161 V C 2.697 178.783 176.094 -0.014 0.000 1.157 161 V CA 2.105 64.407 62.300 0.004 0.000 1.157 161 V CB -0.579 31.252 31.823 0.013 0.000 0.772 161 V HN 1.255 nan 8.190 nan 0.000 0.498 162 V N 2.360 122.251 119.914 -0.039 0.000 2.392 162 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 162 V C 3.010 179.049 176.094 -0.093 0.000 1.059 162 V CA 2.435 64.700 62.300 -0.058 0.000 1.051 162 V CB -1.318 30.464 31.823 -0.069 0.000 0.658 162 V HN 0.823 nan 8.190 nan 0.000 0.455 163 S N 0.577 116.206 115.700 -0.119 0.000 2.382 163 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 163 S C 1.952 176.463 174.600 -0.149 0.000 1.027 163 S CA 1.493 59.561 58.200 -0.221 0.000 0.991 163 S CB -0.654 62.411 63.200 -0.225 0.000 0.823 163 S HN 0.539 nan 8.310 nan 0.000 0.469 164 L N 1.489 122.738 121.223 0.043 0.000 2.056 164 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 164 L C 3.039 179.979 176.870 0.116 0.000 1.078 164 L CA 1.192 56.147 54.840 0.190 0.000 0.749 164 L CB -1.437 40.705 42.059 0.138 0.000 0.901 164 L HN 0.516 nan 8.230 nan 0.000 0.433 165 G N 0.290 109.108 108.800 0.030 0.000 2.446 165 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 165 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 165 G C 1.653 176.539 174.900 -0.024 0.000 1.168 165 G CA 0.553 45.659 45.100 0.010 0.000 0.771 165 G HN 0.220 nan 8.290 nan 0.000 0.551 166 L N -1.068 120.100 121.223 -0.091 0.000 2.275 166 L HA 0.035 4.375 4.340 -0.000 0.000 0.215 166 L C 2.576 179.332 176.870 -0.190 0.000 1.119 166 L CA 0.415 55.166 54.840 -0.148 0.000 0.790 166 L CB -0.179 41.755 42.059 -0.209 0.000 0.919 166 L HN 0.161 nan 8.230 nan 0.000 0.443 167 Y N -0.309 119.859 120.300 -0.220 0.000 2.145 167 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 167 Y C 2.892 178.400 175.900 -0.652 0.000 1.145 167 Y CA 1.313 59.139 58.100 -0.457 0.000 1.148 167 Y CB -0.634 37.646 38.460 -0.301 0.000 0.981 167 Y HN 0.120 nan 8.280 nan 0.000 0.507 168 S N -0.394 115.298 115.700 -0.013 0.000 2.359 168 S HA -0.265 4.205 4.470 -0.000 0.000 0.224 168 S C 2.104 176.723 174.600 0.033 0.000 1.035 168 S CA 1.612 59.881 58.200 0.115 0.000 1.018 168 S CB -0.348 62.930 63.200 0.131 0.000 0.876 168 S HN 0.301 nan 8.310 nan 0.000 0.448 169 R N 0.903 121.390 120.500 -0.022 0.000 2.103 169 R HA -0.035 4.305 4.340 -0.000 0.000 0.242 169 R C 2.055 178.332 176.300 -0.038 0.000 1.142 169 R CA 1.404 57.489 56.100 -0.024 0.000 0.960 169 R CB -0.474 29.798 30.300 -0.047 0.000 0.858 169 R HN 0.450 nan 8.270 nan 0.000 0.439 170 I N -0.589 119.910 120.570 -0.118 0.000 2.202 170 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 170 I C 1.618 177.744 176.117 0.015 0.000 1.091 170 I CA 1.037 62.274 61.300 -0.105 0.000 1.368 170 I CB -0.366 37.529 38.000 -0.175 0.000 1.058 170 I HN 0.076 nan 8.210 nan 0.000 0.410 171 F N 0.883 120.901 119.950 0.114 0.000 2.069 171 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 171 F C 2.661 178.489 175.800 0.048 0.000 1.113 171 F CA 1.167 59.216 58.000 0.082 0.000 1.214 171 F CB -1.166 37.867 39.000 0.055 0.000 0.978 171 F HN -0.039 nan 8.300 nan 0.000 0.474 172 R N 0.989 121.622 120.500 0.221 0.000 2.113 172 R HA -0.197 4.143 4.340 -0.000 0.000 0.244 172 R C 1.869 178.224 176.300 0.092 0.000 1.142 172 R CA 1.734 57.908 56.100 0.122 0.000 0.953 172 R CB -1.102 29.248 30.300 0.082 0.000 0.860 172 R HN 0.328 nan 8.270 nan 0.000 0.438 173 N N 0.628 119.376 118.700 0.079 0.000 2.309 173 N HA -0.114 4.626 4.740 -0.000 0.000 0.182 173 N C 1.457 177.019 175.510 0.087 0.000 1.018 173 N CA 1.058 54.147 53.050 0.065 0.000 0.876 173 N CB -0.434 38.078 38.487 0.041 0.000 0.972 173 N HN 0.430 nan 8.380 nan 0.000 0.434 174 N N 0.733 119.507 118.700 0.122 0.000 2.142 174 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 174 N C 1.795 177.366 175.510 0.101 0.000 1.023 174 N CA 0.766 53.897 53.050 0.135 0.000 0.852 174 N CB -0.054 38.547 38.487 0.191 0.000 0.998 174 N HN 0.258 nan 8.380 nan 0.000 0.424 175 I N -0.776 119.846 120.570 0.087 0.000 2.928 175 I HA -0.006 4.164 4.170 -0.000 0.000 0.266 175 I C 1.399 177.536 176.117 0.034 0.000 1.234 175 I CA 1.051 62.377 61.300 0.045 0.000 1.483 175 I CB -0.017 37.995 38.000 0.021 0.000 1.097 175 I HN 0.088 nan 8.210 nan 0.000 0.455 176 L N 0.591 121.843 121.223 0.047 0.000 2.131 176 L HA 0.113 4.453 4.340 -0.000 0.000 0.206 176 L C 2.643 179.540 176.870 0.045 0.000 1.087 176 L CA 1.086 55.949 54.840 0.039 0.000 0.767 176 L CB -0.458 41.626 42.059 0.040 0.000 0.917 176 L HN 0.397 nan 8.230 nan 0.000 0.441 177 A N -1.315 121.542 122.820 0.062 0.000 2.123 177 A HA -0.029 4.291 4.320 -0.000 0.000 0.214 177 A C 1.376 179.013 177.584 0.089 0.000 1.152 177 A CA 0.126 52.210 52.037 0.078 0.000 0.728 177 A CB -0.219 18.837 19.000 0.092 0.000 0.814 177 A HN 0.246 nan 8.150 nan 0.000 0.464 178 S N 0.025 115.765 115.700 0.068 0.000 2.673 178 S HA 0.321 4.791 4.470 -0.000 0.000 0.308 178 S C 1.463 176.073 174.600 0.016 0.000 1.246 178 S CA 1.066 59.298 58.200 0.052 0.000 1.077 178 S CB -0.424 62.787 63.200 0.018 0.000 0.814 178 S HN 1.851 nan 8.310 nan 0.000 0.503 179 G N 2.948 111.755 108.800 0.011 0.000 2.184 179 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.264 179 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.264 179 G C 0.622 175.444 174.900 -0.129 0.000 0.975 179 G CA 0.403 45.384 45.100 -0.198 0.000 0.642 179 G HN 0.837 nan 8.290 nan 0.000 0.536 180 V N -0.107 119.864 119.914 0.096 0.000 2.743 180 V HA 0.421 4.541 4.120 -0.000 0.000 0.237 180 V C 1.001 177.280 176.094 0.308 0.000 1.113 180 V CA 0.989 63.377 62.300 0.146 0.000 1.141 180 V CB 0.245 32.123 31.823 0.092 0.000 0.873 180 V HN 0.263 nan 8.190 nan 0.000 0.486 181 I N 1.361 122.104 120.570 0.288 0.000 2.418 181 I HA 0.453 4.623 4.170 -0.000 0.000 0.287 181 I C -2.826 173.409 176.117 0.196 0.000 1.008 181 I CA -3.122 58.304 61.300 0.210 0.000 1.104 181 I CB 1.273 39.346 38.000 0.120 0.000 1.264 181 I HN 0.068 nan 8.210 nan 0.000 0.438 182 P HA 0.104 nan 4.420 nan 0.000 0.264 182 P C -0.961 176.363 177.300 0.040 0.000 1.193 182 P CA 0.095 63.095 63.100 -0.167 0.000 0.763 182 P CB 0.345 31.785 31.700 -0.433 0.000 0.810 183 Q N 3.039 122.914 119.800 0.124 0.000 2.327 183 Q HA 0.489 4.829 4.340 -0.000 0.000 0.270 183 Q C -0.665 175.436 176.000 0.169 0.000 1.022 183 Q CA -0.652 55.234 55.803 0.139 0.000 0.773 183 Q CB 1.750 30.576 28.738 0.148 0.000 1.251 183 Q HN 0.332 nan 8.270 nan 0.000 0.457 184 I N 1.491 122.153 120.570 0.152 0.000 2.441 184 I HA 0.408 4.578 4.170 -0.000 0.000 0.295 184 I C -0.080 176.111 176.117 0.123 0.000 0.994 184 I CA -0.534 60.871 61.300 0.175 0.000 1.144 184 I CB 1.762 39.844 38.000 0.137 0.000 1.314 184 I HN 0.464 nan 8.210 nan 0.000 0.445 185 S N 6.642 122.426 115.700 0.141 0.000 2.552 185 S HA 0.613 5.083 4.470 -0.000 0.000 0.314 185 S C -0.354 174.294 174.600 0.080 0.000 1.099 185 S CA -0.516 57.735 58.200 0.086 0.000 1.070 185 S CB 1.607 64.870 63.200 0.106 0.000 0.998 185 S HN 0.376 nan 8.310 nan 0.000 0.474 186 L N 4.549 125.787 121.223 0.025 0.000 2.294 186 L HA 0.495 4.835 4.340 -0.000 0.000 0.283 186 L C -0.917 175.951 176.870 -0.004 0.000 1.015 186 L CA -0.550 54.313 54.840 0.039 0.000 0.831 186 L CB 0.774 42.876 42.059 0.071 0.000 1.217 186 L HN 0.506 nan 8.230 nan 0.000 0.420 187 I N 5.558 126.126 120.570 -0.004 0.000 2.291 187 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 187 I C 0.672 176.768 176.117 -0.035 0.000 1.050 187 I CA 0.087 61.369 61.300 -0.030 0.000 1.245 187 I CB 1.225 39.203 38.000 -0.038 0.000 1.405 187 I HN 0.776 nan 8.210 nan 0.000 0.478 188 M N 3.542 123.122 119.600 -0.034 0.000 2.306 188 M HA 0.316 4.796 4.480 -0.000 0.000 0.292 188 M C 0.881 177.162 176.300 -0.031 0.000 1.018 188 M CA -0.055 55.221 55.300 -0.041 0.000 1.007 188 M CB 1.028 33.607 32.600 -0.035 0.000 1.510 188 M HN 0.510 nan 8.290 nan 0.000 0.537 189 G N 0.254 109.038 108.800 -0.028 0.000 3.122 189 G HA2 0.699 4.659 3.960 -0.000 0.000 0.180 189 G HA3 0.699 4.659 3.960 -0.000 0.000 0.180 189 G C 0.493 175.381 174.900 -0.021 0.000 1.279 189 G CA 0.181 45.270 45.100 -0.017 0.000 0.987 189 G HN 0.100 nan 8.290 nan 0.000 0.589 190 A N -0.822 121.987 122.820 -0.019 0.000 1.832 190 A HA 0.567 4.887 4.320 -0.000 0.000 0.214 190 A C 1.593 179.079 177.584 -0.164 0.000 1.242 190 A CA 2.312 54.319 52.037 -0.050 0.000 0.603 190 A CB -1.100 17.894 19.000 -0.010 0.000 0.902 190 A HN 2.616 nan 8.150 nan 0.000 0.455 191 A N -1.951 120.783 122.820 -0.144 0.000 1.799 191 A HA 0.394 4.714 4.320 -0.000 0.000 0.229 191 A C 0.098 177.469 177.584 -0.355 0.000 1.331 191 A CA 0.589 52.527 52.037 -0.166 0.000 0.677 191 A CB -1.758 17.145 19.000 -0.163 0.000 1.174 191 A HN 2.281 nan 8.150 nan 0.000 0.240 192 A N 1.619 124.274 122.820 -0.276 0.000 2.384 192 A HA 1.214 5.534 4.320 -0.000 0.000 0.312 192 A C 1.323 178.842 177.584 -0.110 0.000 1.113 192 A CA 0.824 52.621 52.037 -0.399 0.000 0.779 192 A CB 1.057 19.845 19.000 -0.354 0.000 1.307 192 A HN 3.243 nan 8.150 nan 0.000 0.436 193 G N -0.255 108.489 108.800 -0.094 0.000 2.582 193 G HA2 0.285 4.245 3.960 -0.000 0.000 0.222 193 G HA3 0.285 4.245 3.960 -0.000 0.000 0.222 193 G C 0.927 175.762 174.900 -0.108 0.000 1.311 193 G CA 0.221 45.288 45.100 -0.055 0.000 0.915 193 G HN 1.965 nan 8.290 nan 0.000 0.528 194 G N -1.411 107.310 108.800 -0.132 0.000 2.535 194 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.218 194 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.218 194 G C 1.213 176.100 174.900 -0.022 0.000 1.122 194 G CA 1.677 46.716 45.100 -0.102 0.000 0.769 194 G HN 0.943 nan 8.290 nan 0.000 0.549 195 H N -0.127 118.860 119.070 -0.138 0.000 2.390 195 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 195 H C 2.770 178.151 175.328 0.089 0.000 1.106 195 H CA 1.305 57.392 56.048 0.064 0.000 1.297 195 H CB 0.294 30.117 29.762 0.101 0.000 1.375 195 H HN 0.316 nan 8.280 nan 0.000 0.509 196 V N -1.955 117.988 119.914 0.049 0.000 2.913 196 V HA -0.217 3.903 4.120 -0.000 0.000 0.260 196 V C 1.623 177.689 176.094 -0.046 0.000 1.098 196 V CA 1.326 63.577 62.300 -0.082 0.000 1.121 196 V CB -1.170 30.505 31.823 -0.247 0.000 0.714 196 V HN 0.418 nan 8.190 nan 0.000 0.487 197 Y N 0.801 121.129 120.300 0.047 0.000 2.373 197 Y HA -0.120 4.430 4.550 -0.000 0.000 0.293 197 Y C 3.068 179.000 175.900 0.054 0.000 1.129 197 Y CA 1.198 59.245 58.100 -0.089 0.000 1.226 197 Y CB 0.016 38.193 38.460 -0.471 0.000 1.000 197 Y HN 0.370 nan 8.280 nan 0.000 0.549 198 S N 0.297 116.301 115.700 0.507 0.000 2.348 198 S HA -0.105 4.365 4.470 -0.000 0.000 0.221 198 S C -0.650 174.116 174.600 0.277 0.000 1.033 198 S CA 1.299 59.790 58.200 0.485 0.000 1.010 198 S CB -1.042 62.447 63.200 0.481 0.000 0.891 198 S HN 0.182 nan 8.310 nan 0.000 0.442 199 P HA -0.016 nan 4.420 nan 0.000 0.215 199 P C 1.474 178.843 177.300 0.116 0.000 1.153 199 P CA 1.624 64.804 63.100 0.133 0.000 0.853 199 P CB -0.238 31.501 31.700 0.065 0.000 0.788 200 A N -0.648 122.232 122.820 0.099 0.000 1.933 200 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 200 A C 2.139 179.772 177.584 0.082 0.000 1.175 200 A CA 1.408 53.493 52.037 0.081 0.000 0.628 200 A CB -1.664 17.388 19.000 0.088 0.000 0.814 200 A HN 0.136 nan 8.150 nan 0.000 0.444 201 L N 0.333 121.614 121.223 0.097 0.000 2.275 201 L HA -0.050 4.290 4.340 -0.000 0.000 0.215 201 L C 1.941 178.861 176.870 0.084 0.000 1.119 201 L CA 0.855 55.742 54.840 0.078 0.000 0.790 201 L CB -0.953 41.168 42.059 0.104 0.000 0.919 201 L HN 0.625 nan 8.230 nan 0.000 0.443 202 T N -4.064 110.553 114.554 0.106 0.000 2.729 202 T HA 0.023 4.373 4.350 -0.000 0.000 0.298 202 T C 0.873 175.588 174.700 0.024 0.000 1.013 202 T CA -0.465 61.692 62.100 0.096 0.000 0.957 202 T CB 0.917 69.864 68.868 0.132 0.000 1.130 202 T HN 0.004 nan 8.240 nan 0.000 0.526 203 D N -0.423 119.959 120.400 -0.029 0.000 2.197 203 D HA 0.145 4.785 4.640 -0.000 0.000 0.212 203 D C -0.047 175.832 176.300 -0.701 0.000 0.963 203 D CA 1.105 54.906 54.000 -0.333 0.000 0.864 203 D CB 0.080 40.702 40.800 -0.297 0.000 1.009 203 D HN 0.490 nan 8.370 nan 0.000 0.479 204 F N 0.308 120.234 119.950 -0.040 0.000 2.547 204 F HA 0.363 4.890 4.527 -0.000 0.000 0.316 204 F C -0.293 175.564 175.800 0.094 0.000 1.121 204 F CA -1.022 56.863 58.000 -0.191 0.000 0.911 204 F CB 2.382 41.317 39.000 -0.108 0.000 1.179 204 F HN -0.427 nan 8.300 nan 0.000 0.443 205 V N 4.977 125.198 119.914 0.511 0.000 2.334 205 V HA 0.419 4.539 4.120 -0.000 0.000 0.281 205 V C -0.486 175.786 176.094 0.297 0.000 1.016 205 V CA -0.510 61.995 62.300 0.342 0.000 0.832 205 V CB 1.212 33.180 31.823 0.241 0.000 0.999 205 V HN 0.456 nan 8.190 nan 0.000 0.439 206 I N 6.270 126.960 120.570 0.201 0.000 2.377 206 I HA 0.528 4.698 4.170 -0.000 0.000 0.293 206 I C 0.165 176.315 176.117 0.055 0.000 0.987 206 I CA 0.041 61.427 61.300 0.144 0.000 1.185 206 I CB 1.551 39.662 38.000 0.185 0.000 1.341 206 I HN 0.466 nan 8.210 nan 0.000 0.455 207 M N 4.962 124.555 119.600 -0.013 0.000 2.662 207 M HA 0.569 5.049 4.480 -0.000 0.000 0.310 207 M C -0.960 175.276 176.300 -0.107 0.000 1.204 207 M CA -1.138 54.132 55.300 -0.049 0.000 0.891 207 M CB 2.428 35.007 32.600 -0.034 0.000 1.732 207 M HN 0.109 nan 8.290 nan 0.000 0.467 208 V N 1.106 120.962 119.914 -0.097 0.000 2.368 208 V HA 0.103 4.223 4.120 -0.000 0.000 0.266 208 V C -0.354 175.668 176.094 -0.119 0.000 1.045 208 V CA -0.716 61.512 62.300 -0.120 0.000 0.899 208 V CB 0.573 32.332 31.823 -0.106 0.000 1.006 208 V HN 0.794 nan 8.190 nan 0.000 0.470 209 D N 4.535 124.844 120.400 -0.152 0.000 2.356 209 D HA 0.210 4.850 4.640 -0.000 0.000 0.272 209 D C 0.559 176.733 176.300 -0.210 0.000 1.337 209 D CA 0.794 54.670 54.000 -0.207 0.000 0.970 209 D CB 0.548 41.212 40.800 -0.227 0.000 1.092 209 D HN 0.712 nan 8.370 nan 0.000 0.516 210 Q N 0.965 120.661 119.800 -0.174 0.000 7.827 210 Q HA -0.213 4.127 4.340 -0.000 0.000 0.364 210 Q C 1.288 177.246 176.000 -0.071 0.000 1.070 210 Q CA 1.377 57.103 55.803 -0.129 0.000 0.532 210 Q CB -1.555 27.104 28.738 -0.133 0.000 0.158 210 Q HN 0.621 nan 8.270 nan 0.000 0.886 211 T N -0.809 113.703 114.554 -0.069 0.000 3.163 211 T HA 0.199 4.549 4.350 -0.000 0.000 0.260 211 T C 0.363 175.043 174.700 -0.032 0.000 1.156 211 T CA 0.740 62.813 62.100 -0.045 0.000 1.072 211 T CB -0.194 68.642 68.868 -0.053 0.000 0.937 211 T HN 0.553 nan 8.240 nan 0.000 0.528 212 S N -0.510 115.172 115.700 -0.030 0.000 2.546 212 S HA 0.731 5.201 4.470 -0.000 0.000 0.272 212 S C -1.496 173.118 174.600 0.024 0.000 1.140 212 S CA -1.093 57.100 58.200 -0.013 0.000 0.920 212 S CB 2.404 65.585 63.200 -0.032 0.000 1.083 212 S HN 0.195 nan 8.310 nan 0.000 0.476 213 Q N 1.073 120.900 119.800 0.046 0.000 2.814 213 Q HA 0.786 5.126 4.340 -0.000 0.000 0.283 213 Q C -1.032 174.983 176.000 0.025 0.000 1.071 213 Q CA -0.786 55.096 55.803 0.131 0.000 0.849 213 Q CB 1.767 30.692 28.738 0.311 0.000 1.437 213 Q HN 0.832 nan 8.270 nan 0.000 0.492 214 M N 1.631 121.298 119.600 0.112 0.000 2.319 214 M HA 0.544 5.024 4.480 -0.000 0.000 0.265 214 M C -2.109 174.279 176.300 0.146 0.000 1.038 214 M CA -0.364 54.877 55.300 -0.098 0.000 0.946 214 M CB 1.260 33.761 32.600 -0.166 0.000 1.984 214 M HN 0.675 nan 8.290 nan 0.000 0.482 215 F N 2.581 122.548 119.950 0.028 0.000 2.746 215 F HA 0.452 4.979 4.527 -0.000 0.000 0.311 215 F C -0.696 175.072 175.800 -0.054 0.000 1.135 215 F CA -1.161 56.847 58.000 0.014 0.000 0.954 215 F CB 0.169 39.193 39.000 0.040 0.000 1.276 215 F HN 0.331 nan 8.300 nan 0.000 0.440 216 I N 0.396 121.047 120.570 0.135 0.000 2.206 216 I HA 0.010 4.180 4.170 -0.000 0.000 0.239 216 I C 0.865 177.073 176.117 0.152 0.000 1.078 216 I CA 1.226 62.538 61.300 0.021 0.000 1.367 216 I CB -0.899 37.079 38.000 -0.037 0.000 1.078 216 I HN 0.655 nan 8.210 nan 0.000 0.413 217 T N 1.621 116.294 114.554 0.198 0.000 2.824 217 T HA 0.564 4.914 4.350 -0.000 0.000 0.280 217 T C 0.341 175.134 174.700 0.156 0.000 0.995 217 T CA -0.525 61.670 62.100 0.158 0.000 1.009 217 T CB 1.879 70.785 68.868 0.063 0.000 0.955 217 T HN 0.348 nan 8.240 nan 0.000 0.452 218 G N 2.640 111.524 108.800 0.140 0.000 2.527 218 G HA2 0.336 4.296 3.960 -0.000 0.000 0.248 218 G HA3 0.336 4.296 3.960 -0.000 0.000 0.248 218 G C -1.583 173.218 174.900 -0.166 0.000 1.231 218 G CA -1.384 43.698 45.100 -0.029 0.000 0.838 218 G HN 0.401 nan 8.290 nan 0.000 0.570 219 P HA -0.145 nan 4.420 nan 0.000 0.217 219 P C 1.219 178.458 177.300 -0.100 0.000 1.151 219 P CA 1.244 64.226 63.100 -0.197 0.000 0.849 219 P CB 0.273 31.850 31.700 -0.205 0.000 0.787 220 D N -0.937 119.423 120.400 -0.066 0.000 2.092 220 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 220 D C 2.054 178.337 176.300 -0.027 0.000 0.994 220 D CA 1.204 55.183 54.000 -0.035 0.000 0.828 220 D CB -0.909 39.883 40.800 -0.014 0.000 0.963 220 D HN -0.004 nan 8.370 nan 0.000 0.450 221 V N 1.524 121.426 119.914 -0.019 0.000 2.261 221 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 221 V C 2.622 178.703 176.094 -0.020 0.000 1.047 221 V CA 1.145 63.439 62.300 -0.011 0.000 1.015 221 V CB -0.462 31.363 31.823 0.004 0.000 0.642 221 V HN 0.184 nan 8.190 nan 0.000 0.446 222 I N 0.249 120.797 120.570 -0.035 0.000 2.248 222 I HA -0.321 3.849 4.170 -0.000 0.000 0.248 222 I C 2.587 178.682 176.117 -0.037 0.000 1.107 222 I CA 1.991 63.267 61.300 -0.040 0.000 1.373 222 I CB -0.442 37.517 38.000 -0.068 0.000 1.055 222 I HN 0.315 nan 8.210 nan 0.000 0.418 223 K N 1.480 121.855 120.400 -0.041 0.000 2.002 223 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 223 K C 1.909 178.495 176.600 -0.024 0.000 1.048 223 K CA 2.296 58.562 56.287 -0.034 0.000 0.930 223 K CB -0.806 31.672 32.500 -0.036 0.000 0.714 223 K HN 0.368 nan 8.250 nan 0.000 0.438 224 T N -1.974 112.568 114.554 -0.020 0.000 3.284 224 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 224 T C 1.067 175.760 174.700 -0.011 0.000 1.144 224 T CA 0.531 62.622 62.100 -0.014 0.000 1.021 224 T CB 0.003 68.864 68.868 -0.011 0.000 0.984 224 T HN -0.009 nan 8.240 nan 0.000 0.545 225 V N 0.445 120.352 119.914 -0.013 0.000 3.431 225 V HA 0.180 4.300 4.120 -0.000 0.000 0.255 225 V C 2.434 178.521 176.094 -0.010 0.000 1.403 225 V CA 0.809 63.104 62.300 -0.009 0.000 1.101 225 V CB 0.695 32.514 31.823 -0.007 0.000 0.891 225 V HN 0.721 nan 8.190 nan 0.000 0.446 226 T N -4.073 110.473 114.554 -0.014 0.000 2.964 226 T HA 0.405 4.755 4.350 -0.000 0.000 0.250 226 T C 1.615 176.305 174.700 -0.016 0.000 0.982 226 T CA 1.445 63.537 62.100 -0.014 0.000 0.959 226 T CB 1.272 70.130 68.868 -0.016 0.000 1.141 226 T HN 1.004 nan 8.240 nan 0.000 0.494 227 G N 1.636 110.425 108.800 -0.019 0.000 2.258 227 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.233 227 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.233 227 G C -0.158 174.728 174.900 -0.024 0.000 1.006 227 G CA -0.001 45.087 45.100 -0.019 0.000 0.620 227 G HN 0.693 nan 8.290 nan 0.000 0.511 228 E N 1.281 121.465 120.200 -0.027 0.000 2.480 228 E HA 0.357 4.707 4.350 -0.000 0.000 0.258 228 E C 0.077 176.653 176.600 -0.040 0.000 0.984 228 E CA 0.338 56.719 56.400 -0.032 0.000 0.930 228 E CB 0.675 30.355 29.700 -0.034 0.000 0.936 228 E HN 0.471 nan 8.360 nan 0.000 0.466 229 E N 2.820 122.997 120.200 -0.038 0.000 2.081 229 E HA 0.281 4.631 4.350 -0.000 0.000 0.276 229 E C -1.082 175.487 176.600 -0.053 0.000 0.950 229 E CA -0.597 55.776 56.400 -0.044 0.000 0.776 229 E CB 0.865 30.544 29.700 -0.034 0.000 1.094 229 E HN 0.346 nan 8.360 nan 0.000 0.402 230 V N 0.566 120.437 119.914 -0.071 0.000 3.114 230 V HA 0.648 4.768 4.120 -0.000 0.000 0.308 230 V C 0.021 176.053 176.094 -0.102 0.000 1.168 230 V CA -0.972 61.278 62.300 -0.084 0.000 1.015 230 V CB 1.459 33.221 31.823 -0.102 0.000 1.050 230 V HN 0.637 nan 8.190 nan 0.000 0.433 231 T N -0.195 114.301 114.554 -0.096 0.000 2.912 231 T HA 0.475 4.825 4.350 -0.000 0.000 0.280 231 T C 1.103 175.722 174.700 -0.136 0.000 0.989 231 T CA -0.504 61.539 62.100 -0.095 0.000 0.995 231 T CB 1.374 70.205 68.868 -0.061 0.000 1.077 231 T HN 0.681 nan 8.240 nan 0.000 0.531 232 M N 0.052 119.580 119.600 -0.120 0.000 2.108 232 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 232 M C 2.353 178.631 176.300 -0.037 0.000 1.066 232 M CA 2.054 57.280 55.300 -0.124 0.000 1.107 232 M CB -0.703 31.927 32.600 0.049 0.000 1.356 232 M HN 0.844 nan 8.290 nan 0.000 0.406 233 E N 1.133 121.320 120.200 -0.021 0.000 2.023 233 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 233 E C 1.615 178.186 176.600 -0.048 0.000 1.003 233 E CA 1.985 58.372 56.400 -0.023 0.000 0.809 233 E CB -0.182 29.493 29.700 -0.042 0.000 0.755 233 E HN 0.493 nan 8.360 nan 0.000 0.449 234 E N -0.175 119.986 120.200 -0.065 0.000 2.049 234 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 234 E C 2.170 178.710 176.600 -0.101 0.000 1.007 234 E CA 1.358 57.714 56.400 -0.073 0.000 0.809 234 E CB -0.382 29.276 29.700 -0.070 0.000 0.749 234 E HN 0.226 nan 8.360 nan 0.000 0.450 235 L N -0.152 120.989 121.223 -0.137 0.000 2.012 235 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 235 L C 1.435 178.231 176.870 -0.124 0.000 1.073 235 L CA 2.324 57.059 54.840 -0.175 0.000 0.748 235 L CB -0.198 41.654 42.059 -0.346 0.000 0.891 235 L HN 0.137 nan 8.230 nan 0.000 0.431 236 G N -1.166 107.621 108.800 -0.021 0.000 5.102 236 G HA2 0.449 4.409 3.960 -0.000 0.000 0.212 236 G HA3 0.449 4.409 3.960 -0.000 0.000 0.212 236 G C 0.240 175.235 174.900 0.158 0.000 0.832 236 G CA 0.012 45.153 45.100 0.069 0.000 0.718 236 G HN 0.628 nan 8.290 nan 0.000 0.506 237 G N -0.542 108.272 108.800 0.023 0.000 2.621 237 G HA2 0.518 4.478 3.960 -0.000 0.000 0.271 237 G HA3 0.518 4.478 3.960 -0.000 0.000 0.271 237 G C 1.337 176.280 174.900 0.071 0.000 1.236 237 G CA 0.356 45.480 45.100 0.041 0.000 0.958 237 G HN 0.648 nan 8.290 nan 0.000 0.512 238 A N -1.119 121.715 122.820 0.025 0.000 1.933 238 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 238 A C 1.925 179.585 177.584 0.126 0.000 1.175 238 A CA 1.920 53.989 52.037 0.052 0.000 0.628 238 A CB -0.862 18.119 19.000 -0.031 0.000 0.814 238 A HN 0.816 nan 8.150 nan 0.000 0.444 239 H N -0.866 118.180 119.070 -0.040 0.000 2.389 239 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 239 H C 2.616 177.918 175.328 -0.043 0.000 1.081 239 H CA 1.477 57.497 56.048 -0.046 0.000 1.345 239 H CB 0.086 29.819 29.762 -0.049 0.000 1.393 239 H HN 0.727 nan 8.280 nan 0.000 0.520 240 T N -1.488 113.094 114.554 0.045 0.000 2.904 240 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 240 T C 1.661 176.299 174.700 -0.104 0.000 1.059 240 T CA 0.948 63.008 62.100 -0.067 0.000 1.137 240 T CB -0.193 68.570 68.868 -0.175 0.000 0.879 240 T HN 0.433 nan 8.240 nan 0.000 0.467 241 H N -0.365 118.711 119.070 0.010 0.000 2.555 241 H HA 0.309 4.865 4.556 -0.000 0.000 0.269 241 H C 1.804 177.076 175.328 -0.093 0.000 0.988 241 H CA 1.076 57.099 56.048 -0.041 0.000 1.178 241 H CB 0.236 29.975 29.762 -0.037 0.000 1.373 241 H HN 0.429 nan 8.280 nan 0.000 0.588 242 M N -0.409 119.223 119.600 0.054 0.000 2.545 242 M HA 0.251 4.731 4.480 -0.000 0.000 0.264 242 M C 1.771 178.121 176.300 0.084 0.000 1.155 242 M CA 1.009 56.314 55.300 0.008 0.000 1.162 242 M CB 0.409 33.014 32.600 0.009 0.000 1.330 242 M HN 0.048 nan 8.290 nan 0.000 0.479 243 A N -0.999 121.888 122.820 0.113 0.000 2.324 243 A HA 0.273 4.593 4.320 -0.000 0.000 0.220 243 A C 1.761 179.504 177.584 0.265 0.000 1.209 243 A CA 0.093 52.258 52.037 0.213 0.000 0.918 243 A CB 0.102 19.139 19.000 0.062 0.000 0.959 243 A HN 0.430 nan 8.150 nan 0.000 0.507 244 K N -0.121 120.373 120.400 0.157 0.000 2.267 244 K HA 0.023 4.343 4.320 -0.000 0.000 0.213 244 K C 2.141 178.832 176.600 0.151 0.000 1.060 244 K CA 1.142 57.513 56.287 0.140 0.000 0.935 244 K CB -0.128 32.394 32.500 0.036 0.000 1.096 244 K HN 0.407 nan 8.250 nan 0.000 0.468 245 S N 0.295 116.026 115.700 0.052 0.000 2.489 245 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 245 S C 1.384 175.888 174.600 -0.159 0.000 0.995 245 S CA 0.607 58.830 58.200 0.039 0.000 0.934 245 S CB -0.129 63.174 63.200 0.172 0.000 0.771 245 S HN 0.490 nan 8.310 nan 0.000 0.522 246 G N 0.670 109.178 108.800 -0.488 0.000 2.295 246 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.287 246 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.287 246 G C 0.417 174.981 174.900 -0.559 0.000 1.055 246 G CA 0.655 45.043 45.100 -1.187 0.000 0.922 246 G HN 0.579 nan 8.290 nan 0.000 0.503 247 T N -0.955 113.412 114.554 -0.312 0.000 3.018 247 T HA 0.532 4.882 4.350 -0.000 0.000 0.246 247 T C 1.450 175.983 174.700 -0.279 0.000 1.026 247 T CA 0.984 62.941 62.100 -0.239 0.000 1.081 247 T CB 0.494 69.264 68.868 -0.163 0.000 0.970 247 T HN 1.374 nan 8.240 nan 0.000 0.475 248 A N 1.008 123.698 122.820 -0.216 0.000 2.328 248 A HA 0.511 4.831 4.320 -0.000 0.000 0.284 248 A C 0.193 177.661 177.584 -0.195 0.000 1.160 248 A CA -0.322 51.639 52.037 -0.126 0.000 0.818 248 A CB 0.252 19.235 19.000 -0.028 0.000 1.087 248 A HN 0.453 nan 8.150 nan 0.000 0.504 249 H N -0.046 119.077 119.070 0.089 0.000 2.547 249 H HA 0.229 4.785 4.556 -0.000 0.000 0.272 249 H C -0.771 174.629 175.328 0.120 0.000 0.971 249 H CA 1.361 57.502 56.048 0.156 0.000 1.245 249 H CB 0.323 30.285 29.762 0.333 0.000 1.440 249 H HN 0.667 nan 8.280 nan 0.000 0.540 250 Y N -0.015 120.246 120.300 -0.065 0.000 2.480 250 Y HA 0.546 5.096 4.550 -0.000 0.000 0.329 250 Y C -1.720 174.057 175.900 -0.206 0.000 1.127 250 Y CA -1.801 56.117 58.100 -0.303 0.000 1.037 250 Y CB 1.257 39.128 38.460 -0.981 0.000 1.320 250 Y HN -0.073 nan 8.280 nan 0.000 0.446 251 A N 4.626 126.871 122.820 -0.957 0.000 2.394 251 A HA 0.797 5.117 4.320 -0.000 0.000 0.333 251 A C -0.435 176.561 177.584 -0.982 0.000 1.397 251 A CA -0.088 51.550 52.037 -0.665 0.000 0.884 251 A CB -0.483 18.355 19.000 -0.269 0.000 1.147 251 A HN 1.176 nan 8.150 nan 0.000 0.505 252 A N 1.857 124.225 122.820 -0.753 0.000 2.462 252 A HA 0.457 4.777 4.320 -0.000 0.000 0.243 252 A C 1.490 178.949 177.584 -0.209 0.000 1.076 252 A CA 0.315 52.130 52.037 -0.370 0.000 0.773 252 A CB 0.121 19.084 19.000 -0.062 0.000 1.010 252 A HN 1.714 nan 8.150 nan 0.000 0.493 253 S N 1.902 117.539 115.700 -0.104 0.000 2.428 253 S HA 0.312 4.782 4.470 -0.000 0.000 0.230 253 S C 0.898 175.459 174.600 -0.064 0.000 1.014 253 S CA 0.646 58.806 58.200 -0.065 0.000 0.957 253 S CB -0.249 62.942 63.200 -0.015 0.000 0.784 253 S HN 1.727 nan 8.310 nan 0.000 0.499 254 G N -0.462 108.297 108.800 -0.068 0.000 2.684 254 G HA2 0.500 4.460 3.960 -0.000 0.000 0.290 254 G HA3 0.500 4.460 3.960 -0.000 0.000 0.290 254 G C -0.284 174.521 174.900 -0.157 0.000 1.425 254 G CA -0.630 44.418 45.100 -0.087 0.000 0.822 254 G HN 0.060 nan 8.290 nan 0.000 0.482 255 E N -0.383 119.695 120.200 -0.204 0.000 2.070 255 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 255 E C 2.404 178.582 176.600 -0.704 0.000 1.004 255 E CA 1.336 57.479 56.400 -0.428 0.000 0.805 255 E CB 0.087 29.598 29.700 -0.315 0.000 0.744 255 E HN 0.383 nan 8.360 nan 0.000 0.451 256 Q N 0.604 120.207 119.800 -0.328 0.000 2.096 256 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 256 Q C 1.866 177.819 176.000 -0.077 0.000 0.982 256 Q CA 1.354 57.078 55.803 -0.131 0.000 0.850 256 Q CB -0.425 28.343 28.738 0.049 0.000 0.901 256 Q HN 0.268 nan 8.270 nan 0.000 0.422 257 D N 0.128 120.497 120.400 -0.052 0.000 2.117 257 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 257 D C 1.712 178.078 176.300 0.110 0.000 0.987 257 D CA 1.453 55.492 54.000 0.065 0.000 0.829 257 D CB -0.063 40.793 40.800 0.094 0.000 0.961 257 D HN 0.214 nan 8.370 nan 0.000 0.460 258 A N -0.399 122.398 122.820 -0.037 0.000 1.917 258 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 258 A C 2.015 179.668 177.584 0.115 0.000 1.182 258 A CA 1.346 53.388 52.037 0.010 0.000 0.633 258 A CB -0.999 17.864 19.000 -0.228 0.000 0.819 258 A HN 0.286 nan 8.150 nan 0.000 0.448 259 F N 0.656 120.672 119.950 0.109 0.000 2.163 259 F HA -0.063 4.464 4.527 -0.000 0.000 0.297 259 F C 2.056 177.894 175.800 0.064 0.000 1.094 259 F CA 0.747 58.789 58.000 0.069 0.000 1.290 259 F CB -1.002 38.022 39.000 0.039 0.000 1.017 259 F HN 0.220 nan 8.300 nan 0.000 0.483 260 D N -0.999 119.549 120.400 0.247 0.000 2.182 260 D HA -0.244 4.396 4.640 -0.000 0.000 0.201 260 D C 2.079 178.426 176.300 0.079 0.000 0.986 260 D CA 1.216 55.300 54.000 0.140 0.000 0.847 260 D CB -0.616 40.252 40.800 0.114 0.000 0.942 260 D HN 0.325 nan 8.370 nan 0.000 0.467 261 Y N 1.488 121.766 120.300 -0.036 0.000 2.184 261 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 261 Y C 2.347 178.187 175.900 -0.101 0.000 1.129 261 Y CA 0.985 58.975 58.100 -0.183 0.000 1.144 261 Y CB -0.249 37.972 38.460 -0.398 0.000 0.995 261 Y HN -0.239 nan 8.280 nan 0.000 0.513 262 V N 1.174 121.180 119.914 0.153 0.000 2.392 262 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 262 V C 2.283 178.358 176.094 -0.032 0.000 1.059 262 V CA 2.311 64.659 62.300 0.080 0.000 1.051 262 V CB -0.591 31.329 31.823 0.162 0.000 0.658 262 V HN 0.393 nan 8.190 nan 0.000 0.455 263 R N -0.265 120.226 120.500 -0.015 0.000 2.090 263 R HA -0.130 4.210 4.340 -0.000 0.000 0.228 263 R C 2.305 178.546 176.300 -0.099 0.000 1.110 263 R CA 1.258 57.331 56.100 -0.046 0.000 0.973 263 R CB -0.253 30.039 30.300 -0.012 0.000 0.869 263 R HN 0.443 nan 8.270 nan 0.000 0.440 264 E N 1.339 121.458 120.200 -0.135 0.000 2.077 264 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 264 E C 1.761 178.284 176.600 -0.128 0.000 0.989 264 E CA 0.767 57.080 56.400 -0.145 0.000 0.800 264 E CB -0.144 29.430 29.700 -0.211 0.000 0.746 264 E HN 0.080 nan 8.360 nan 0.000 0.452 265 L N -0.248 120.797 121.223 -0.298 0.000 2.017 265 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 265 L C 1.912 178.630 176.870 -0.252 0.000 1.073 265 L CA 1.472 56.104 54.840 -0.346 0.000 0.745 265 L CB -0.619 41.153 42.059 -0.477 0.000 0.894 265 L HN 0.211 nan 8.230 nan 0.000 0.432 266 L N -0.358 120.746 121.223 -0.198 0.000 2.191 266 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 266 L C 2.796 179.560 176.870 -0.177 0.000 1.103 266 L CA 1.784 56.519 54.840 -0.176 0.000 0.769 266 L CB -1.247 40.740 42.059 -0.120 0.000 0.908 266 L HN 0.566 nan 8.230 nan 0.000 0.438 267 S N -1.825 113.764 115.700 -0.186 0.000 2.442 267 S HA -0.219 4.251 4.470 -0.000 0.000 0.236 267 S C 1.911 176.270 174.600 -0.402 0.000 1.007 267 S CA 1.087 59.127 58.200 -0.268 0.000 0.965 267 S CB -0.641 62.356 63.200 -0.337 0.000 0.773 267 S HN 0.493 nan 8.310 nan 0.000 0.504 268 Y N 1.108 121.213 120.300 -0.326 0.000 2.476 268 Y HA 0.470 5.020 4.550 -0.000 0.000 0.283 268 Y C 1.099 176.770 175.900 -0.382 0.000 1.109 268 Y CA -0.397 57.469 58.100 -0.389 0.000 1.246 268 Y CB -0.011 38.090 38.460 -0.599 0.000 1.068 268 Y HN 0.170 nan 8.280 nan 0.000 0.552 269 L N 2.528 123.598 121.223 -0.255 0.000 2.421 269 L HA 0.289 4.629 4.340 -0.000 0.000 0.263 269 L C -2.105 174.654 176.870 -0.185 0.000 1.122 269 L CA -2.065 52.617 54.840 -0.263 0.000 0.804 269 L CB 0.590 42.423 42.059 -0.377 0.000 1.150 269 L HN -0.141 nan 8.230 nan 0.000 0.457 270 P HA 0.264 nan 4.420 nan 0.000 0.284 270 P C -2.417 174.815 177.300 -0.114 0.000 1.287 270 P CA -1.657 61.396 63.100 -0.079 0.000 0.824 270 P CB 0.851 32.555 31.700 0.008 0.000 1.180 271 P HA -0.081 nan 4.420 nan 0.000 0.223 271 P C -0.175 177.111 177.300 -0.024 0.000 1.151 271 P CA 1.462 64.532 63.100 -0.050 0.000 0.787 271 P CB 0.043 31.731 31.700 -0.021 0.000 0.788 272 N N -1.822 116.898 118.700 0.033 0.000 3.185 272 N HA 0.017 4.757 4.740 -0.000 0.000 0.238 272 N C 0.370 176.020 175.510 0.234 0.000 1.451 272 N CA -0.786 52.345 53.050 0.136 0.000 0.888 272 N CB -0.702 37.842 38.487 0.095 0.000 1.413 272 N HN -0.331 nan 8.380 nan 0.000 0.511 273 N N -0.599 118.274 118.700 0.289 0.000 2.443 273 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 273 N C -0.002 175.569 175.510 0.101 0.000 1.037 273 N CA 1.480 54.648 53.050 0.197 0.000 0.896 273 N CB -0.562 37.957 38.487 0.054 0.000 0.959 273 N HN 0.585 nan 8.380 nan 0.000 0.442 274 S N -2.052 113.699 115.700 0.084 0.000 2.577 274 S HA 0.176 4.646 4.470 -0.000 0.000 0.219 274 S C 0.297 174.926 174.600 0.048 0.000 0.962 274 S CA -0.526 57.705 58.200 0.051 0.000 0.921 274 S CB -0.017 63.206 63.200 0.038 0.000 0.789 274 S HN 0.191 nan 8.310 nan 0.000 0.497 275 T N 2.420 117.012 114.554 0.063 0.000 2.912 275 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 275 T C -1.004 173.728 174.700 0.053 0.000 1.030 275 T CA -0.704 61.424 62.100 0.047 0.000 1.020 275 T CB 1.403 70.293 68.868 0.036 0.000 1.056 275 T HN -0.009 nan 8.240 nan 0.000 0.480 276 D N 1.748 122.171 120.400 0.038 0.000 2.345 276 D HA 0.463 5.103 4.640 -0.000 0.000 0.247 276 D C 0.181 176.500 176.300 0.031 0.000 1.108 276 D CA -0.164 53.859 54.000 0.038 0.000 0.894 276 D CB 0.980 41.797 40.800 0.030 0.000 1.203 276 D HN 0.693 nan 8.370 nan 0.000 0.430 277 A N 3.741 126.582 122.820 0.035 0.000 2.511 277 A HA 0.287 4.607 4.320 -0.000 0.000 0.242 277 A C -1.994 175.590 177.584 0.001 0.000 1.069 277 A CA -0.900 51.144 52.037 0.011 0.000 0.763 277 A CB -0.290 18.724 19.000 0.023 0.000 1.001 277 A HN 0.373 nan 8.150 nan 0.000 0.498 278 P HA 0.155 nan 4.420 nan 0.000 0.265 278 P C -0.618 176.683 177.300 0.002 0.000 1.193 278 P CA 0.381 63.481 63.100 0.001 0.000 0.765 278 P CB 0.535 32.232 31.700 -0.005 0.000 0.823 279 R N 1.935 122.471 120.500 0.061 0.000 2.778 279 R HA 0.534 4.874 4.340 -0.000 0.000 0.277 279 R C -0.245 176.210 176.300 0.259 0.000 0.977 279 R CA -0.719 55.430 56.100 0.081 0.000 0.950 279 R CB 1.115 31.452 30.300 0.062 0.000 1.165 279 R HN 0.407 nan 8.270 nan 0.000 0.474 280 Y N 0.531 120.818 120.300 -0.023 0.000 2.480 280 Y HA 0.171 4.721 4.550 -0.000 0.000 0.323 280 Y C 0.764 176.658 175.900 -0.009 0.000 1.267 280 Y CA -1.179 56.907 58.100 -0.024 0.000 1.336 280 Y CB 0.694 39.137 38.460 -0.028 0.000 1.361 280 Y HN 0.247 nan 8.280 nan 0.000 0.518 281 Q N 1.270 121.149 119.800 0.133 0.000 2.263 281 Q HA 0.242 4.582 4.340 -0.000 0.000 0.289 281 Q C -0.681 175.369 176.000 0.083 0.000 1.061 281 Q CA -0.013 55.832 55.803 0.069 0.000 0.927 281 Q CB 0.583 29.335 28.738 0.022 0.000 1.154 281 Q HN 0.668 nan 8.270 nan 0.000 0.378 282 A N 3.164 126.021 122.820 0.062 0.000 2.274 282 A HA 0.631 4.951 4.320 -0.000 0.000 0.309 282 A C -0.044 177.563 177.584 0.039 0.000 1.226 282 A CA -0.119 51.951 52.037 0.055 0.000 0.853 282 A CB 0.640 19.669 19.000 0.047 0.000 1.146 282 A HN 0.791 nan 8.150 nan 0.000 0.518 283 A N 1.861 124.704 122.820 0.038 0.000 2.507 283 A HA 0.490 4.810 4.320 -0.000 0.000 0.235 283 A C 0.737 178.332 177.584 0.019 0.000 1.070 283 A CA 0.454 52.507 52.037 0.027 0.000 0.768 283 A CB 0.044 19.060 19.000 0.027 0.000 1.011 283 A HN 2.118 nan 8.150 nan 0.000 0.502 284 A N 3.900 126.728 122.820 0.012 0.000 2.801 284 A HA 0.584 4.904 4.320 -0.000 0.000 0.344 284 A C -1.226 176.360 177.584 0.002 0.000 1.322 284 A CA -1.185 50.856 52.037 0.007 0.000 0.913 284 A CB -0.641 18.362 19.000 0.006 0.000 1.140 284 A HN 0.821 nan 8.150 nan 0.000 0.487 285 P HA 0.312 nan 4.420 nan 0.000 0.277 285 P C 0.559 177.853 177.300 -0.010 0.000 1.276 285 P CA 0.319 63.415 63.100 -0.006 0.000 0.788 285 P CB 0.731 32.425 31.700 -0.010 0.000 1.114 286 T N -5.877 108.669 114.554 -0.014 0.000 2.975 286 T HA 0.403 4.753 4.350 -0.000 0.000 0.257 286 T C 0.922 175.609 174.700 -0.022 0.000 1.003 286 T CA 0.526 62.617 62.100 -0.015 0.000 0.932 286 T CB -0.729 68.132 68.868 -0.011 0.000 1.087 286 T HN 0.904 nan 8.240 nan 0.000 0.512 287 G N 3.199 111.981 108.800 -0.030 0.000 2.953 287 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.421 287 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.421 287 G C -2.569 172.311 174.900 -0.033 0.000 1.531 287 G CA -0.458 44.618 45.100 -0.040 0.000 0.971 287 G HN 0.558 nan 8.290 nan 0.000 0.558 288 P HA 0.318 nan 4.420 nan 0.000 0.274 288 P C 1.439 178.687 177.300 -0.087 0.000 1.246 288 P CA -0.549 62.519 63.100 -0.055 0.000 0.795 288 P CB 0.649 32.327 31.700 -0.036 0.000 1.006 289 I N 0.535 121.025 120.570 -0.133 0.000 2.248 289 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 289 I C 2.231 178.186 176.117 -0.269 0.000 1.107 289 I CA 1.740 62.916 61.300 -0.206 0.000 1.373 289 I CB -0.712 37.118 38.000 -0.282 0.000 1.055 289 I HN 0.521 nan 8.210 nan 0.000 0.418 290 E N 1.166 121.215 120.200 -0.251 0.000 2.472 290 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 290 E C 1.180 177.741 176.600 -0.066 0.000 1.046 290 E CA 1.010 57.318 56.400 -0.152 0.000 0.871 290 E CB -0.189 29.507 29.700 -0.008 0.000 0.806 290 E HN 0.645 nan 8.360 nan 0.000 0.533 291 E N 0.174 120.335 120.200 -0.065 0.000 2.490 291 E HA 0.139 4.489 4.350 -0.000 0.000 0.209 291 E C 0.726 177.305 176.600 -0.036 0.000 0.971 291 E CA -0.072 56.307 56.400 -0.036 0.000 0.988 291 E CB 0.362 30.047 29.700 -0.026 0.000 1.029 291 E HN 0.292 nan 8.360 nan 0.000 0.496 292 N N 0.466 119.135 118.700 -0.053 0.000 2.230 292 N HA 0.152 4.892 4.740 -0.000 0.000 0.202 292 N C -0.358 175.129 175.510 -0.038 0.000 1.119 292 N CA -0.197 52.829 53.050 -0.040 0.000 0.851 292 N CB 0.668 39.130 38.487 -0.042 0.000 0.990 292 N HN -0.056 nan 8.380 nan 0.000 0.497 293 L N 1.787 122.982 121.223 -0.047 0.000 2.455 293 L HA 0.091 4.431 4.340 -0.000 0.000 0.272 293 L C 1.085 177.949 176.870 -0.011 0.000 1.174 293 L CA 0.047 54.868 54.840 -0.031 0.000 0.869 293 L CB 0.348 42.391 42.059 -0.026 0.000 1.130 293 L HN 0.164 nan 8.230 nan 0.000 0.474 294 T N -2.302 112.251 114.554 -0.002 0.000 2.923 294 T HA 0.194 4.544 4.350 -0.000 0.000 0.281 294 T C 0.751 175.454 174.700 0.005 0.000 0.995 294 T CA -0.910 61.193 62.100 0.004 0.000 0.985 294 T CB 1.600 70.475 68.868 0.011 0.000 1.114 294 T HN 0.481 nan 8.240 nan 0.000 0.548 295 D N -0.006 120.398 120.400 0.007 0.000 2.144 295 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 295 D C 1.717 178.022 176.300 0.007 0.000 0.984 295 D CA 1.249 55.253 54.000 0.006 0.000 0.834 295 D CB 0.024 40.828 40.800 0.008 0.000 0.955 295 D HN 0.808 nan 8.370 nan 0.000 0.465 296 E N 0.422 120.630 120.200 0.014 0.000 2.150 296 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 296 E C 1.288 177.899 176.600 0.017 0.000 0.985 296 E CA 0.784 57.196 56.400 0.020 0.000 0.814 296 E CB 0.289 30.007 29.700 0.030 0.000 0.752 296 E HN 0.160 nan 8.360 nan 0.000 0.466 297 D N 0.564 120.972 120.400 0.014 0.000 2.084 297 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 297 D C 2.159 178.449 176.300 -0.018 0.000 0.985 297 D CA 0.781 54.786 54.000 0.009 0.000 0.826 297 D CB -0.300 40.509 40.800 0.015 0.000 0.978 297 D HN 0.244 nan 8.370 nan 0.000 0.456 298 L N 1.152 122.365 121.223 -0.017 0.000 2.129 298 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 298 L C 2.180 179.019 176.870 -0.052 0.000 1.087 298 L CA 1.090 55.910 54.840 -0.034 0.000 0.757 298 L CB -0.546 41.502 42.059 -0.020 0.000 0.896 298 L HN 0.061 nan 8.230 nan 0.000 0.434 299 E N 0.198 120.379 120.200 -0.031 0.000 2.331 299 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 299 E C 2.202 178.771 176.600 -0.051 0.000 1.008 299 E CA 0.868 57.251 56.400 -0.028 0.000 0.843 299 E CB -0.126 29.573 29.700 -0.002 0.000 0.761 299 E HN 0.569 nan 8.360 nan 0.000 0.507 300 L N 0.773 121.946 121.223 -0.084 0.000 2.341 300 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 300 L C 1.579 178.270 176.870 -0.299 0.000 1.115 300 L CA 0.411 55.158 54.840 -0.155 0.000 0.820 300 L CB -0.063 41.891 42.059 -0.175 0.000 0.944 300 L HN -0.004 nan 8.230 nan 0.000 0.452 301 D N -0.315 119.934 120.400 -0.252 0.000 2.263 301 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 301 D C 1.781 177.973 176.300 -0.180 0.000 0.971 301 D CA 1.714 55.557 54.000 -0.262 0.000 0.867 301 D CB 0.060 40.752 40.800 -0.180 0.000 0.929 301 D HN 0.370 nan 8.370 nan 0.000 0.492 302 T N -2.184 112.295 114.554 -0.126 0.000 3.132 302 T HA 0.203 4.553 4.350 -0.000 0.000 0.274 302 T C 1.619 176.274 174.700 -0.075 0.000 1.011 302 T CA -0.334 61.715 62.100 -0.085 0.000 0.899 302 T CB -0.120 68.715 68.868 -0.055 0.000 1.089 302 T HN 0.053 nan 8.240 nan 0.000 0.543 303 L N 0.689 121.859 121.223 -0.089 0.000 2.179 303 L HA 0.336 4.676 4.340 -0.000 0.000 0.208 303 L C 0.288 177.056 176.870 -0.169 0.000 1.096 303 L CA 0.711 55.504 54.840 -0.078 0.000 0.779 303 L CB -0.039 42.003 42.059 -0.028 0.000 0.922 303 L HN 0.189 nan 8.230 nan 0.000 0.443 304 I N 1.927 122.388 120.570 -0.181 0.000 2.452 304 I HA 0.185 4.355 4.170 -0.000 0.000 0.287 304 I C -1.853 174.183 176.117 -0.134 0.000 1.079 304 I CA -1.813 59.327 61.300 -0.266 0.000 1.387 304 I CB -0.071 37.852 38.000 -0.127 0.000 1.404 304 I HN 0.047 nan 8.210 nan 0.000 0.522 305 P HA 0.058 nan 4.420 nan 0.000 0.267 305 P C 0.424 177.722 177.300 -0.003 0.000 1.200 305 P CA -0.118 62.971 63.100 -0.019 0.000 0.772 305 P CB 0.753 32.473 31.700 0.033 0.000 0.855 306 D N -0.628 119.775 120.400 0.006 0.000 2.309 306 D HA -0.071 4.569 4.640 -0.000 0.000 0.212 306 D C 0.701 177.016 176.300 0.027 0.000 0.968 306 D CA 1.174 55.181 54.000 0.013 0.000 0.882 306 D CB 0.022 40.829 40.800 0.012 0.000 0.918 306 D HN 0.207 nan 8.370 nan 0.000 0.503 307 S N 0.530 116.250 115.700 0.035 0.000 2.525 307 S HA 0.214 4.684 4.470 -0.000 0.000 0.278 307 S C -1.548 173.088 174.600 0.059 0.000 1.234 307 S CA -1.502 56.725 58.200 0.046 0.000 1.058 307 S CB 1.672 64.901 63.200 0.048 0.000 0.983 307 S HN -0.117 nan 8.310 nan 0.000 0.495 308 P HA -0.040 nan 4.420 nan 0.000 0.223 308 P C 0.296 177.650 177.300 0.090 0.000 1.151 308 P CA 1.143 64.291 63.100 0.079 0.000 0.787 308 P CB 0.022 31.774 31.700 0.087 0.000 0.788 309 N N -1.157 117.593 118.700 0.083 0.000 2.407 309 N HA 0.008 4.748 4.740 -0.000 0.000 0.182 309 N C 0.870 176.432 175.510 0.086 0.000 1.079 309 N CA -0.256 52.843 53.050 0.082 0.000 0.882 309 N CB 0.147 38.675 38.487 0.069 0.000 1.106 309 N HN 0.146 nan 8.380 nan 0.000 0.461 310 Q N 2.735 122.588 119.800 0.088 0.000 2.275 310 Q HA 0.049 4.388 4.340 -0.000 0.000 0.293 310 Q C -2.422 173.665 176.000 0.146 0.000 1.129 310 Q CA -1.080 54.780 55.803 0.096 0.000 0.971 310 Q CB 0.527 29.317 28.738 0.086 0.000 1.098 310 Q HN 0.034 nan 8.270 nan 0.000 0.386 311 P HA 0.061 nan 4.420 nan 0.000 0.272 311 P C -1.622 175.784 177.300 0.175 0.000 1.240 311 P CA 0.129 63.281 63.100 0.087 0.000 0.791 311 P CB 0.337 32.045 31.700 0.013 0.000 0.978 312 Y N -2.310 118.003 120.300 0.021 0.000 2.519 312 Y HA 0.483 5.033 4.550 -0.000 0.000 0.336 312 Y C -1.009 174.908 175.900 0.030 0.000 1.089 312 Y CA -1.679 56.437 58.100 0.028 0.000 1.025 312 Y CB 0.467 38.948 38.460 0.035 0.000 1.318 312 Y HN 0.113 nan 8.280 nan 0.000 0.452 313 D N 3.188 123.629 120.400 0.068 0.000 2.382 313 D HA 0.010 4.650 4.640 -0.000 0.000 0.259 313 D C 0.786 177.125 176.300 0.066 0.000 1.224 313 D CA 0.168 54.190 54.000 0.037 0.000 0.894 313 D CB 1.299 42.158 40.800 0.098 0.000 1.127 313 D HN 0.817 nan 8.370 nan 0.000 0.487 314 M N 3.989 123.541 119.600 -0.080 0.000 2.374 314 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 314 M C 1.003 177.271 176.300 -0.052 0.000 1.067 314 M CA 1.572 56.818 55.300 -0.089 0.000 1.103 314 M CB -0.446 32.017 32.600 -0.227 0.000 1.402 314 M HN 0.492 nan 8.290 nan 0.000 0.444 315 H N -0.289 118.751 119.070 -0.049 0.000 2.489 315 H HA -0.048 4.508 4.556 -0.000 0.000 0.293 315 H C 1.797 177.113 175.328 -0.019 0.000 1.066 315 H CA 1.499 57.510 56.048 -0.062 0.000 1.305 315 H CB 0.006 29.756 29.762 -0.019 0.000 1.386 315 H HN 0.374 nan 8.280 nan 0.000 0.551 316 E N 0.169 120.464 120.200 0.159 0.000 2.110 316 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 316 E C 2.373 179.043 176.600 0.116 0.000 0.988 316 E CA 0.666 57.147 56.400 0.135 0.000 0.804 316 E CB -0.283 29.515 29.700 0.162 0.000 0.745 316 E HN 0.326 nan 8.360 nan 0.000 0.458 317 V N 1.392 121.380 119.914 0.122 0.000 2.323 317 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 317 V C 2.419 178.532 176.094 0.032 0.000 1.041 317 V CA 1.138 63.513 62.300 0.125 0.000 1.025 317 V CB -0.442 31.462 31.823 0.134 0.000 0.656 317 V HN 0.157 nan 8.190 nan 0.000 0.451 318 I N 1.323 121.845 120.570 -0.080 0.000 2.091 318 I HA -0.310 3.860 4.170 -0.000 0.000 0.239 318 I C 2.813 178.861 176.117 -0.115 0.000 1.061 318 I CA 2.312 63.489 61.300 -0.205 0.000 1.317 318 I CB -1.061 36.633 38.000 -0.512 0.000 1.031 318 I HN 0.516 nan 8.210 nan 0.000 0.401 319 T N -0.941 113.582 114.554 -0.051 0.000 2.849 319 T HA -0.193 4.157 4.350 -0.000 0.000 0.270 319 T C 1.868 176.596 174.700 0.045 0.000 1.066 319 T CA 1.110 63.224 62.100 0.023 0.000 1.130 319 T CB -0.437 68.470 68.868 0.065 0.000 0.864 319 T HN 0.350 nan 8.240 nan 0.000 0.481 320 R N -0.011 120.519 120.500 0.050 0.000 2.297 320 R HA 0.373 4.713 4.340 -0.000 0.000 0.197 320 R C 2.078 178.420 176.300 0.069 0.000 0.943 320 R CA 0.164 56.302 56.100 0.063 0.000 1.038 320 R CB -0.124 30.219 30.300 0.072 0.000 0.957 320 R HN 0.410 nan 8.270 nan 0.000 0.484 321 L N 0.243 121.504 121.223 0.063 0.000 2.253 321 L HA 0.120 4.460 4.340 -0.000 0.000 0.205 321 L C 0.353 177.268 176.870 0.075 0.000 1.078 321 L CA 0.436 55.322 54.840 0.077 0.000 0.805 321 L CB 0.140 42.240 42.059 0.069 0.000 0.963 321 L HN 0.047 nan 8.230 nan 0.000 0.459 322 L N -3.409 117.856 121.223 0.069 0.000 2.335 322 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 322 L C 0.173 177.096 176.870 0.089 0.000 1.016 322 L CA -0.710 54.182 54.840 0.086 0.000 0.805 322 L CB -0.063 42.060 42.059 0.107 0.000 1.311 322 L HN -0.182 nan 8.230 nan 0.000 0.456 323 D N 0.312 120.769 120.400 0.095 0.000 2.489 323 D HA 0.030 4.670 4.640 -0.000 0.000 0.264 323 D C -0.769 175.593 176.300 0.103 0.000 1.294 323 D CA 0.525 54.580 54.000 0.092 0.000 0.938 323 D CB -1.058 39.798 40.800 0.093 0.000 0.985 323 D HN 0.526 nan 8.370 nan 0.000 0.492 324 D N 1.302 121.768 120.400 0.109 0.000 10.484 324 D HA -0.179 4.461 4.640 -0.000 0.000 0.318 324 D C 0.016 176.403 176.300 0.144 0.000 3.002 324 D CA 0.901 54.970 54.000 0.115 0.000 2.679 324 D CB 0.048 40.903 40.800 0.093 0.000 1.149 324 D HN 0.324 nan 8.370 nan 0.000 0.891 325 E N 1.157 121.462 120.200 0.174 0.000 7.243 325 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 325 E C -1.769 174.998 176.600 0.278 0.000 0.948 325 E CA -0.180 56.338 56.400 0.196 0.000 1.637 325 E CB -1.003 28.791 29.700 0.157 0.000 0.907 325 E HN 0.295 nan 8.360 nan 0.000 0.281 326 F N 5.332 125.335 119.950 0.088 0.000 2.415 326 F HA 0.483 5.010 4.527 -0.000 0.000 0.348 326 F C -0.396 175.420 175.800 0.026 0.000 1.119 326 F CA -1.204 56.829 58.000 0.055 0.000 1.069 326 F CB 0.923 39.959 39.000 0.059 0.000 1.124 326 F HN 0.399 nan 8.300 nan 0.000 0.472 327 L N 6.667 127.588 121.223 -0.503 0.000 2.449 327 L HA 0.302 4.642 4.340 -0.000 0.000 0.255 327 L C 0.160 176.549 176.870 -0.802 0.000 1.167 327 L CA 0.021 54.546 54.840 -0.524 0.000 1.090 327 L CB -0.484 41.307 42.059 -0.445 0.000 1.385 327 L HN 0.689 nan 8.230 nan 0.000 0.411 328 E N 2.632 122.322 120.200 -0.849 0.000 2.442 328 E HA 0.071 4.421 4.350 -0.000 0.000 0.262 328 E C -0.601 175.876 176.600 -0.205 0.000 1.004 328 E CA -0.057 55.946 56.400 -0.662 0.000 0.928 328 E CB 0.590 30.176 29.700 -0.190 0.000 0.937 328 E HN 0.420 nan 8.360 nan 0.000 0.446 329 I N 3.966 124.414 120.570 -0.205 0.000 2.412 329 I HA 0.052 4.222 4.170 -0.000 0.000 0.296 329 I C 0.233 176.394 176.117 0.073 0.000 0.987 329 I CA -0.149 61.167 61.300 0.027 0.000 1.180 329 I CB 1.383 39.376 38.000 -0.012 0.000 1.340 329 I HN 0.833 nan 8.210 nan 0.000 0.455 330 Q N 3.057 122.954 119.800 0.163 0.000 2.435 330 Q HA -0.247 4.093 4.340 -0.000 0.000 0.312 330 Q C 1.220 177.288 176.000 0.114 0.000 1.333 330 Q CA 0.652 56.529 55.803 0.122 0.000 0.883 330 Q CB -1.082 27.731 28.738 0.125 0.000 1.170 330 Q HN 0.852 nan 8.270 nan 0.000 0.443 331 A N -0.305 122.575 122.820 0.099 0.000 2.070 331 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 331 A C 1.887 179.499 177.584 0.047 0.000 1.159 331 A CA 1.554 53.644 52.037 0.087 0.000 0.656 331 A CB -0.060 19.003 19.000 0.105 0.000 0.800 331 A HN 0.657 nan 8.150 nan 0.000 0.453 332 G N -3.000 105.824 108.800 0.040 0.000 3.233 332 G HA2 0.342 4.302 3.960 -0.000 0.000 0.234 332 G HA3 0.342 4.302 3.960 -0.000 0.000 0.234 332 G C -0.140 174.802 174.900 0.070 0.000 1.137 332 G CA -0.036 45.063 45.100 -0.001 0.000 0.763 332 G HN 0.369 nan 8.290 nan 0.000 0.549 333 Y N 0.741 121.019 120.300 -0.036 0.000 2.376 333 Y HA 0.478 5.028 4.550 -0.000 0.000 0.340 333 Y C 0.315 176.221 175.900 0.010 0.000 0.965 333 Y CA -1.110 56.982 58.100 -0.013 0.000 1.078 333 Y CB 1.859 40.315 38.460 -0.008 0.000 1.193 333 Y HN 0.377 nan 8.280 nan 0.000 0.452 334 A N 4.975 127.507 122.820 -0.479 0.000 2.312 334 A HA -0.279 4.041 4.320 -0.000 0.000 0.286 334 A C 0.858 178.400 177.584 -0.070 0.000 1.425 334 A CA 1.321 53.182 52.037 -0.293 0.000 0.748 334 A CB -1.723 17.053 19.000 -0.373 0.000 1.126 334 A HN 0.934 nan 8.150 nan 0.000 0.368 335 Q N 0.218 119.991 119.800 -0.044 0.000 2.541 335 Q HA -0.161 4.179 4.340 -0.000 0.000 0.215 335 Q C 1.680 177.715 176.000 0.058 0.000 0.977 335 Q CA 0.920 56.702 55.803 -0.035 0.000 0.934 335 Q CB -0.195 28.415 28.738 -0.214 0.000 0.988 335 Q HN 1.046 nan 8.270 nan 0.000 0.521 336 N N 0.487 119.269 118.700 0.137 0.000 2.521 336 N HA -0.028 4.712 4.740 -0.000 0.000 0.188 336 N C 0.209 175.703 175.510 -0.026 0.000 1.146 336 N CA 0.366 53.435 53.050 0.033 0.000 0.893 336 N CB 0.325 38.798 38.487 -0.023 0.000 0.975 336 N HN 0.178 nan 8.380 nan 0.000 0.451 337 I N 0.112 120.667 120.570 -0.026 0.000 2.619 337 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 337 I C -1.580 174.505 176.117 -0.054 0.000 1.100 337 I CA -0.993 60.276 61.300 -0.053 0.000 1.043 337 I CB 2.554 40.533 38.000 -0.035 0.000 1.239 337 I HN -0.254 nan 8.210 nan 0.000 0.420 338 V N 7.517 127.375 119.914 -0.093 0.000 2.409 338 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 338 V C -0.448 175.582 176.094 -0.108 0.000 1.020 338 V CA -0.583 61.660 62.300 -0.095 0.000 0.848 338 V CB 1.547 33.244 31.823 -0.209 0.000 0.990 338 V HN 0.628 nan 8.190 nan 0.000 0.430 339 V N 2.016 121.829 119.914 -0.168 0.000 3.001 339 V HA 1.163 5.283 4.120 -0.000 0.000 0.314 339 V C 0.022 175.768 176.094 -0.580 0.000 1.099 339 V CA -0.018 61.993 62.300 -0.481 0.000 0.989 339 V CB 1.656 32.959 31.823 -0.867 0.000 1.040 339 V HN 1.354 nan 8.190 nan 0.000 0.434 340 G N 1.024 109.320 108.800 -0.841 0.000 2.321 340 G HA2 0.475 4.435 3.960 -0.000 0.000 0.298 340 G HA3 0.475 4.435 3.960 -0.000 0.000 0.298 340 G C -1.930 172.703 174.900 -0.445 0.000 1.385 340 G CA -0.802 43.811 45.100 -0.812 0.000 0.856 340 G HN 0.779 nan 8.290 nan 0.000 0.584 341 F N 0.301 120.035 119.950 -0.360 0.000 2.425 341 F HA 0.840 5.367 4.527 -0.000 0.000 0.331 341 F C 1.030 176.588 175.800 -0.404 0.000 1.085 341 F CA 0.470 58.214 58.000 -0.427 0.000 1.028 341 F CB 2.174 40.565 39.000 -1.014 0.000 1.177 341 F HN 0.871 nan 8.300 nan 0.000 0.487 342 G N 1.591 110.466 108.800 0.125 0.000 2.606 342 G HA2 0.636 4.596 3.960 -0.000 0.000 0.300 342 G HA3 0.636 4.596 3.960 -0.000 0.000 0.300 342 G C -1.825 173.313 174.900 0.397 0.000 1.360 342 G CA -1.096 44.211 45.100 0.345 0.000 0.783 342 G HN 0.461 nan 8.290 nan 0.000 0.484 343 R N -0.207 120.464 120.500 0.284 0.000 2.502 343 R HA 0.471 4.811 4.340 -0.000 0.000 0.300 343 R C -0.955 175.412 176.300 0.112 0.000 0.984 343 R CA -0.658 55.533 56.100 0.151 0.000 0.882 343 R CB 2.054 32.356 30.300 0.003 0.000 1.180 343 R HN 0.363 nan 8.270 nan 0.000 0.444 344 I N 3.374 124.005 120.570 0.101 0.000 2.388 344 I HA 0.100 4.270 4.170 -0.000 0.000 0.281 344 I C -0.310 175.851 176.117 0.074 0.000 1.046 344 I CA -0.079 61.275 61.300 0.090 0.000 1.187 344 I CB 1.056 39.115 38.000 0.098 0.000 1.351 344 I HN 0.727 nan 8.210 nan 0.000 0.472 345 D N 5.015 125.456 120.400 0.068 0.000 2.914 345 D HA -0.149 4.491 4.640 -0.000 0.000 0.226 345 D C 1.026 177.363 176.300 0.062 0.000 1.112 345 D CA 1.326 55.364 54.000 0.062 0.000 0.778 345 D CB -0.891 39.943 40.800 0.056 0.000 1.095 345 D HN 1.015 nan 8.370 nan 0.000 0.436 346 G N -0.244 108.592 108.800 0.060 0.000 2.184 346 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.264 346 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.264 346 G C 0.403 175.301 174.900 -0.004 0.000 0.975 346 G CA 0.529 45.661 45.100 0.054 0.000 0.642 346 G HN 0.599 nan 8.290 nan 0.000 0.536 347 R N 1.069 121.583 120.500 0.023 0.000 2.229 347 R HA 0.454 4.794 4.340 -0.000 0.000 0.328 347 R C -2.683 173.651 176.300 0.057 0.000 1.009 347 R CA -1.882 54.237 56.100 0.033 0.000 0.864 347 R CB 1.170 31.504 30.300 0.056 0.000 1.085 347 R HN 0.104 nan 8.270 nan 0.000 0.453 348 P HA -0.008 nan 4.420 nan 0.000 0.271 348 P C -0.791 176.627 177.300 0.197 0.000 1.220 348 P CA -0.224 62.977 63.100 0.168 0.000 0.768 348 P CB 0.924 32.707 31.700 0.138 0.000 0.848 349 V N 0.714 120.784 119.914 0.261 0.000 3.078 349 V HA 0.927 5.047 4.120 -0.000 0.000 0.311 349 V C -0.117 176.181 176.094 0.340 0.000 1.138 349 V CA -1.112 61.335 62.300 0.246 0.000 1.007 349 V CB 1.998 33.932 31.823 0.183 0.000 1.045 349 V HN 0.554 nan 8.190 nan 0.000 0.432 350 G N 3.229 112.209 108.800 0.301 0.000 2.335 350 G HA2 0.631 4.591 3.960 -0.000 0.000 0.314 350 G HA3 0.631 4.591 3.960 -0.000 0.000 0.314 350 G C -0.626 174.474 174.900 0.334 0.000 1.129 350 G CA -0.582 44.728 45.100 0.350 0.000 0.912 350 G HN 0.601 nan 8.290 nan 0.000 0.443 351 I N 2.387 123.150 120.570 0.321 0.000 2.385 351 I HA 0.313 4.483 4.170 -0.000 0.000 0.294 351 I C -0.282 175.912 176.117 0.127 0.000 0.988 351 I CA -0.696 60.707 61.300 0.173 0.000 1.265 351 I CB 1.607 39.648 38.000 0.069 0.000 1.388 351 I HN 0.045 nan 8.210 nan 0.000 0.480 352 V N 5.916 125.877 119.914 0.078 0.000 2.439 352 V HA 0.623 4.743 4.120 -0.000 0.000 0.277 352 V C -0.017 176.050 176.094 -0.045 0.000 1.008 352 V CA -0.462 61.861 62.300 0.039 0.000 0.846 352 V CB 1.469 33.379 31.823 0.145 0.000 1.031 352 V HN 0.889 nan 8.190 nan 0.000 0.441 353 A N 4.129 126.886 122.820 -0.105 0.000 2.401 353 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 353 A C -0.463 177.031 177.584 -0.151 0.000 1.075 353 A CA -0.824 51.125 52.037 -0.147 0.000 0.746 353 A CB 1.249 20.132 19.000 -0.196 0.000 1.277 353 A HN 0.773 nan 8.150 nan 0.000 0.425 354 N N 0.972 119.575 118.700 -0.161 0.000 2.499 354 N HA 0.432 5.172 4.740 -0.000 0.000 0.281 354 N C -0.471 174.929 175.510 -0.183 0.000 1.098 354 N CA -0.321 52.635 53.050 -0.157 0.000 0.979 354 N CB 0.924 39.312 38.487 -0.166 0.000 1.121 354 N HN 0.601 nan 8.380 nan 0.000 0.466 355 Q N 2.901 122.610 119.800 -0.152 0.000 2.465 355 Q HA 0.333 4.673 4.340 -0.000 0.000 0.237 355 Q C -2.228 173.673 176.000 -0.165 0.000 1.051 355 Q CA -2.202 53.505 55.803 -0.160 0.000 0.874 355 Q CB 1.249 29.940 28.738 -0.078 0.000 1.207 355 Q HN 0.374 nan 8.270 nan 0.000 0.508 356 P HA -0.144 nan 4.420 nan 0.000 0.221 356 P C 0.542 177.754 177.300 -0.145 0.000 1.145 356 P CA 1.420 64.370 63.100 -0.251 0.000 0.795 356 P CB 0.194 31.603 31.700 -0.484 0.000 0.775 357 T N -5.396 109.081 114.554 -0.129 0.000 3.284 357 T HA -0.043 4.307 4.350 -0.000 0.000 0.252 357 T C 0.212 174.917 174.700 0.008 0.000 1.144 357 T CA 0.226 62.294 62.100 -0.054 0.000 1.021 357 T CB -0.922 67.916 68.868 -0.050 0.000 0.984 357 T HN 0.076 nan 8.240 nan 0.000 0.545 358 H N -0.552 118.427 119.070 -0.152 0.000 3.149 358 H HA 0.334 4.890 4.556 -0.000 0.000 0.334 358 H C -0.410 174.840 175.328 -0.130 0.000 1.000 358 H CA -2.519 53.378 56.048 -0.252 0.000 1.415 358 H CB 0.012 29.559 29.762 -0.359 0.000 1.819 358 H HN 0.193 nan 8.280 nan 0.000 0.486 359 F N 3.372 123.141 119.950 -0.301 0.000 3.057 359 F HA -0.315 4.212 4.527 -0.000 0.000 0.287 359 F C 1.399 177.098 175.800 -0.168 0.000 0.834 359 F CA 0.436 58.261 58.000 -0.292 0.000 1.147 359 F CB -1.517 37.220 39.000 -0.439 0.000 1.245 359 F HN 0.854 nan 8.300 nan 0.000 0.509 360 A N -1.185 121.664 122.820 0.049 0.000 2.910 360 A HA -0.051 4.269 4.320 -0.000 0.000 0.267 360 A C 1.962 179.521 177.584 -0.042 0.000 1.310 360 A CA 2.055 54.094 52.037 0.003 0.000 0.934 360 A CB -1.922 17.091 19.000 0.021 0.000 1.057 360 A HN 2.402 nan 8.150 nan 0.000 0.742 361 G N -3.695 105.076 108.800 -0.048 0.000 2.175 361 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.244 361 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.244 361 G C 0.699 175.538 174.900 -0.101 0.000 0.982 361 G CA 0.428 45.472 45.100 -0.093 0.000 0.641 361 G HN 1.641 nan 8.290 nan 0.000 0.527 362 C N 0.535 119.793 119.300 -0.070 0.000 2.741 362 C HA 0.462 4.922 4.460 -0.000 0.000 0.403 362 C C 1.416 176.307 174.990 -0.165 0.000 1.282 362 C CA -0.006 58.932 59.018 -0.135 0.000 2.053 362 C CB -0.107 27.563 27.740 -0.117 0.000 2.731 362 C HN 0.498 nan 8.230 nan 0.000 0.680 363 L N 3.330 124.363 121.223 -0.316 0.000 2.325 363 L HA 0.480 4.820 4.340 -0.000 0.000 0.279 363 L C 0.180 176.999 176.870 -0.084 0.000 1.054 363 L CA 0.247 54.919 54.840 -0.280 0.000 0.804 363 L CB 0.888 42.583 42.059 -0.607 0.000 1.200 363 L HN 0.801 nan 8.230 nan 0.000 0.436 364 D N 2.357 122.764 120.400 0.012 0.000 2.579 364 D HA 0.231 4.871 4.640 -0.000 0.000 0.257 364 D C 1.031 177.379 176.300 0.081 0.000 1.176 364 D CA -0.651 53.379 54.000 0.050 0.000 0.914 364 D CB 1.394 42.178 40.800 -0.026 0.000 1.431 364 D HN 0.362 nan 8.370 nan 0.000 0.454 365 I N 1.008 121.622 120.570 0.074 0.000 2.093 365 I HA -0.422 3.748 4.170 -0.000 0.000 0.239 365 I C 2.235 178.408 176.117 0.092 0.000 1.026 365 I CA 1.959 63.308 61.300 0.082 0.000 1.295 365 I CB -0.808 37.231 38.000 0.066 0.000 1.007 365 I HN 0.484 nan 8.210 nan 0.000 0.401 366 N N 0.505 119.243 118.700 0.063 0.000 2.061 366 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 366 N C 1.971 177.514 175.510 0.055 0.000 1.030 366 N CA 1.240 54.321 53.050 0.051 0.000 0.856 366 N CB -0.267 38.083 38.487 -0.228 0.000 1.023 366 N HN 0.429 nan 8.380 nan 0.000 0.424 367 A N 0.945 123.770 122.820 0.008 0.000 1.908 367 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 367 A C 2.379 180.010 177.584 0.078 0.000 1.181 367 A CA 1.781 53.834 52.037 0.027 0.000 0.627 367 A CB -0.666 18.338 19.000 0.007 0.000 0.818 367 A HN 0.242 nan 8.150 nan 0.000 0.445 368 S N 0.030 115.787 115.700 0.096 0.000 2.356 368 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 368 S C 1.785 176.467 174.600 0.137 0.000 1.032 368 S CA 1.536 59.807 58.200 0.118 0.000 1.005 368 S CB -0.418 62.867 63.200 0.142 0.000 0.867 368 S HN 0.731 nan 8.310 nan 0.000 0.449 369 E N 1.138 121.428 120.200 0.149 0.000 2.150 369 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 369 E C 2.078 178.790 176.600 0.186 0.000 0.985 369 E CA 0.731 57.225 56.400 0.157 0.000 0.814 369 E CB -0.115 29.680 29.700 0.159 0.000 0.752 369 E HN 0.466 nan 8.360 nan 0.000 0.466 370 K N 1.145 121.679 120.400 0.223 0.000 2.001 370 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 370 K C 2.180 178.911 176.600 0.218 0.000 1.048 370 K CA 1.242 57.672 56.287 0.239 0.000 0.932 370 K CB -0.090 32.569 32.500 0.264 0.000 0.715 370 K HN 0.072 nan 8.250 nan 0.000 0.437 371 A N 0.986 123.915 122.820 0.183 0.000 1.897 371 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 371 A C 2.317 180.049 177.584 0.246 0.000 1.181 371 A CA 1.529 53.694 52.037 0.215 0.000 0.620 371 A CB -0.731 18.354 19.000 0.141 0.000 0.821 371 A HN 0.486 nan 8.150 nan 0.000 0.443 372 A N 0.188 123.123 122.820 0.191 0.000 1.873 372 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 372 A C 2.210 179.892 177.584 0.162 0.000 1.193 372 A CA 2.286 54.426 52.037 0.172 0.000 0.629 372 A CB -0.493 18.595 19.000 0.146 0.000 0.826 372 A HN 0.484 nan 8.150 nan 0.000 0.447 373 R N -1.585 119.016 120.500 0.167 0.000 2.115 373 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 373 R C 1.764 178.158 176.300 0.157 0.000 1.111 373 R CA 1.589 57.773 56.100 0.140 0.000 0.976 373 R CB -0.637 29.750 30.300 0.145 0.000 0.870 373 R HN 0.512 nan 8.270 nan 0.000 0.445 374 F N -0.282 119.726 119.950 0.097 0.000 2.113 374 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 374 F C 1.760 177.615 175.800 0.091 0.000 1.103 374 F CA 1.294 59.352 58.000 0.096 0.000 1.248 374 F CB -0.456 38.589 39.000 0.075 0.000 0.999 374 F HN -0.158 nan 8.300 nan 0.000 0.475 375 V N 0.924 120.850 119.914 0.021 0.000 2.287 375 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 375 V C 2.553 178.592 176.094 -0.092 0.000 1.053 375 V CA 2.302 64.573 62.300 -0.049 0.000 1.027 375 V CB -0.695 31.197 31.823 0.114 0.000 0.646 375 V HN 0.259 nan 8.190 nan 0.000 0.447 376 R N -0.513 119.970 120.500 -0.029 0.000 2.120 376 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 376 R C 2.389 178.623 176.300 -0.111 0.000 1.123 376 R CA 1.861 57.934 56.100 -0.046 0.000 0.975 376 R CB -0.521 29.780 30.300 0.002 0.000 0.866 376 R HN 0.526 nan 8.270 nan 0.000 0.446 377 T N -0.147 114.340 114.554 -0.111 0.000 2.777 377 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 377 T C 1.990 176.673 174.700 -0.028 0.000 1.040 377 T CA 1.171 63.227 62.100 -0.074 0.000 1.141 377 T CB -0.258 68.607 68.868 -0.005 0.000 0.868 377 T HN 0.354 nan 8.240 nan 0.000 0.444 378 C N 1.377 120.605 119.300 -0.119 0.000 2.429 378 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 378 C C 2.649 177.616 174.990 -0.039 0.000 1.262 378 C CA 0.613 59.610 59.018 -0.036 0.000 1.733 378 C CB -0.990 26.641 27.740 -0.182 0.000 2.010 378 C HN 0.626 nan 8.230 nan 0.000 0.483 379 D N -0.407 119.927 120.400 -0.109 0.000 2.144 379 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 379 D C 2.018 178.216 176.300 -0.169 0.000 0.978 379 D CA 1.167 55.098 54.000 -0.116 0.000 0.833 379 D CB -0.233 40.495 40.800 -0.120 0.000 0.961 379 D HN 0.452 nan 8.370 nan 0.000 0.470 380 C N -0.551 118.568 119.300 -0.301 0.000 2.425 380 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 380 C C 1.470 176.070 174.990 -0.649 0.000 1.280 380 C CA 0.424 59.097 59.018 -0.574 0.000 1.744 380 C CB -1.213 25.956 27.740 -0.951 0.000 1.989 380 C HN 0.294 nan 8.230 nan 0.000 0.491 381 F N 1.432 121.387 119.950 0.009 0.000 2.963 381 F HA 0.263 4.790 4.527 -0.000 0.000 0.321 381 F C 0.497 176.303 175.800 0.009 0.000 1.234 381 F CA -0.431 57.577 58.000 0.012 0.000 1.296 381 F CB -0.777 38.236 39.000 0.021 0.000 0.981 381 F HN 0.177 nan 8.300 nan 0.000 0.507 382 N N 1.707 120.456 118.700 0.083 0.000 2.698 382 N HA -0.244 4.496 4.740 -0.000 0.000 0.258 382 N C -0.581 174.976 175.510 0.080 0.000 0.978 382 N CA 0.780 53.865 53.050 0.059 0.000 0.777 382 N CB -1.317 37.205 38.487 0.058 0.000 0.907 382 N HN 0.480 nan 8.380 nan 0.000 0.543 383 I N 0.257 120.883 120.570 0.093 0.000 2.362 383 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 383 I C -2.094 174.078 176.117 0.092 0.000 0.994 383 I CA -2.121 59.251 61.300 0.119 0.000 1.158 383 I CB 1.818 39.936 38.000 0.196 0.000 1.315 383 I HN -0.250 nan 8.210 nan 0.000 0.451 384 P HA 0.098 nan 4.420 nan 0.000 0.266 384 P C -0.716 176.640 177.300 0.094 0.000 1.193 384 P CA 0.270 63.415 63.100 0.074 0.000 0.770 384 P CB 0.529 32.279 31.700 0.083 0.000 0.836 385 I N 2.241 122.854 120.570 0.073 0.000 2.355 385 I HA 0.234 4.404 4.170 -0.000 0.000 0.288 385 I C -0.511 175.685 176.117 0.132 0.000 0.999 385 I CA -0.759 60.606 61.300 0.109 0.000 1.163 385 I CB 1.588 39.639 38.000 0.084 0.000 1.316 385 I HN -0.054 nan 8.210 nan 0.000 0.454 386 V N 7.676 127.674 119.914 0.141 0.000 2.350 386 V HA 0.422 4.542 4.120 -0.000 0.000 0.285 386 V C 0.038 176.182 176.094 0.084 0.000 1.014 386 V CA -0.514 61.851 62.300 0.108 0.000 0.831 386 V CB 1.361 33.242 31.823 0.097 0.000 1.000 386 V HN 0.688 nan 8.190 nan 0.000 0.433 387 M N 5.570 125.205 119.600 0.058 0.000 2.364 387 M HA 0.734 5.214 4.480 -0.000 0.000 0.334 387 M C -1.298 174.957 176.300 -0.075 0.000 1.107 387 M CA -0.598 54.702 55.300 -0.001 0.000 0.988 387 M CB 1.912 34.511 32.600 -0.000 0.000 1.673 387 M HN 0.258 nan 8.290 nan 0.000 0.441 388 L N 4.023 125.176 121.223 -0.118 0.000 2.262 388 L HA 0.573 4.913 4.340 -0.000 0.000 0.288 388 L C -0.792 175.960 176.870 -0.196 0.000 1.035 388 L CA -0.989 53.739 54.840 -0.186 0.000 0.820 388 L CB 1.164 43.107 42.059 -0.194 0.000 1.204 388 L HN 0.573 nan 8.230 nan 0.000 0.424 389 V N 2.516 122.300 119.914 -0.218 0.000 2.394 389 V HA 0.307 4.427 4.120 -0.000 0.000 0.282 389 V C -0.185 175.788 176.094 -0.201 0.000 1.031 389 V CA -0.064 62.118 62.300 -0.197 0.000 0.881 389 V CB 1.700 33.413 31.823 -0.183 0.000 0.982 389 V HN 0.713 nan 8.190 nan 0.000 0.451 390 D N 3.633 123.923 120.400 -0.184 0.000 3.453 390 D HA 0.114 4.754 4.640 -0.000 0.000 0.312 390 D C -1.013 175.182 176.300 -0.175 0.000 1.349 390 D CA -0.006 53.894 54.000 -0.166 0.000 0.739 390 D CB 1.277 42.003 40.800 -0.123 0.000 1.312 390 D HN 0.345 nan 8.370 nan 0.000 0.628 391 V N 1.892 121.688 119.914 -0.197 0.000 2.547 391 V HA 0.623 4.743 4.120 -0.000 0.000 0.299 391 V C -1.794 174.181 176.094 -0.199 0.000 1.040 391 V CA -2.006 60.176 62.300 -0.196 0.000 0.913 391 V CB 2.325 34.007 31.823 -0.235 0.000 0.992 391 V HN 0.015 nan 8.190 nan 0.000 0.449 392 P HA 0.312 nan 4.420 nan 0.000 0.234 392 P C 0.557 177.946 177.300 0.147 0.000 1.175 392 P CA 1.389 64.526 63.100 0.062 0.000 0.801 392 P CB 0.801 32.562 31.700 0.101 0.000 0.891 393 G N -0.730 108.048 108.800 -0.037 0.000 2.441 393 G HA2 0.227 4.187 3.960 -0.000 0.000 0.222 393 G HA3 0.227 4.187 3.960 -0.000 0.000 0.222 393 G C -1.811 172.916 174.900 -0.288 0.000 1.254 393 G CA -0.761 44.311 45.100 -0.048 0.000 0.959 393 G HN -0.032 nan 8.290 nan 0.000 0.474 394 F N 0.387 120.325 119.950 -0.021 0.000 2.450 394 F HA 0.641 5.168 4.527 -0.000 0.000 0.332 394 F C 0.570 176.315 175.800 -0.091 0.000 1.093 394 F CA -0.683 57.285 58.000 -0.054 0.000 1.003 394 F CB 1.891 40.861 39.000 -0.050 0.000 1.151 394 F HN 0.392 nan 8.300 nan 0.000 0.474 395 L N 6.063 127.282 121.223 -0.007 0.000 2.660 395 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 395 L C -2.381 174.426 176.870 -0.104 0.000 1.194 395 L CA -1.027 53.720 54.840 -0.154 0.000 0.945 395 L CB -0.441 41.416 42.059 -0.337 0.000 1.212 395 L HN 0.304 nan 8.230 nan 0.000 0.490 396 P HA 0.551 nan 4.420 nan 0.000 0.276 396 P C -0.496 176.728 177.300 -0.127 0.000 1.230 396 P CA -0.221 62.826 63.100 -0.089 0.000 0.776 396 P CB 1.178 32.838 31.700 -0.068 0.000 0.888 397 G N 0.311 109.034 108.800 -0.128 0.000 2.376 397 G HA2 0.252 4.212 3.960 -0.000 0.000 0.302 397 G HA3 0.252 4.212 3.960 -0.000 0.000 0.302 397 G C 0.502 175.276 174.900 -0.209 0.000 1.586 397 G CA -0.077 44.933 45.100 -0.152 0.000 0.907 397 G HN 0.441 nan 8.290 nan 0.000 0.655 398 T N -2.162 112.230 114.554 -0.270 0.000 2.942 398 T HA 0.016 4.366 4.350 -0.000 0.000 0.265 398 T C 1.422 175.749 174.700 -0.621 0.000 1.062 398 T CA 2.076 63.848 62.100 -0.545 0.000 1.139 398 T CB -0.030 68.491 68.868 -0.578 0.000 0.883 398 T HN 0.270 nan 8.240 nan 0.000 0.468 399 D N 1.235 121.477 120.400 -0.263 0.000 2.117 399 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 399 D C 2.480 178.744 176.300 -0.060 0.000 0.987 399 D CA 0.906 54.859 54.000 -0.078 0.000 0.829 399 D CB -0.212 40.579 40.800 -0.015 0.000 0.961 399 D HN 0.353 nan 8.370 nan 0.000 0.460 400 Q N 0.597 120.335 119.800 -0.103 0.000 2.061 400 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 400 Q C 2.058 178.022 176.000 -0.060 0.000 0.984 400 Q CA 0.998 56.761 55.803 -0.066 0.000 0.846 400 Q CB -0.252 28.438 28.738 -0.080 0.000 0.902 400 Q HN 0.426 nan 8.270 nan 0.000 0.421 401 E N -0.143 119.976 120.200 -0.135 0.000 2.051 401 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 401 E C 2.075 178.712 176.600 0.061 0.000 0.991 401 E CA 0.878 57.221 56.400 -0.096 0.000 0.799 401 E CB -0.293 29.289 29.700 -0.196 0.000 0.748 401 E HN 0.401 nan 8.360 nan 0.000 0.449 402 Y N 1.494 121.784 120.300 -0.017 0.000 2.207 402 Y HA -0.117 4.433 4.550 -0.000 0.000 0.287 402 Y C 2.033 177.929 175.900 -0.006 0.000 1.156 402 Y CA 0.743 58.836 58.100 -0.011 0.000 1.182 402 Y CB -0.703 37.752 38.460 -0.009 0.000 0.979 402 Y HN 0.082 nan 8.280 nan 0.000 0.521 403 N N -0.579 118.220 118.700 0.165 0.000 2.494 403 N HA 0.052 4.792 4.740 -0.000 0.000 0.182 403 N C 0.757 176.307 175.510 0.067 0.000 1.076 403 N CA 1.130 54.238 53.050 0.096 0.000 0.908 403 N CB 0.085 38.617 38.487 0.075 0.000 0.967 403 N HN 0.352 nan 8.380 nan 0.000 0.449 404 G N 1.372 110.208 108.800 0.060 0.000 2.956 404 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.263 404 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.263 404 G C 0.518 175.427 174.900 0.016 0.000 1.090 404 G CA -0.160 44.961 45.100 0.033 0.000 1.185 404 G HN 0.251 nan 8.290 nan 0.000 0.566 405 I N 0.918 121.484 120.570 -0.008 0.000 2.480 405 I HA 0.183 4.353 4.170 -0.000 0.000 0.251 405 I C 2.368 178.448 176.117 -0.062 0.000 1.124 405 I CA 0.715 62.002 61.300 -0.023 0.000 1.444 405 I CB -0.239 37.732 38.000 -0.049 0.000 1.098 405 I HN 0.553 nan 8.210 nan 0.000 0.428 406 I N 0.560 121.082 120.570 -0.080 0.000 2.076 406 I HA -0.329 3.841 4.170 -0.000 0.000 0.237 406 I C 2.742 178.831 176.117 -0.048 0.000 1.059 406 I CA 1.905 63.148 61.300 -0.094 0.000 1.317 406 I CB -0.595 37.361 38.000 -0.073 0.000 1.037 406 I HN 0.232 nan 8.210 nan 0.000 0.398 407 R N 1.235 121.722 120.500 -0.021 0.000 2.088 407 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 407 R C 2.517 178.822 176.300 0.009 0.000 1.136 407 R CA 1.667 57.764 56.100 -0.005 0.000 0.926 407 R CB -0.231 30.069 30.300 0.000 0.000 0.837 407 R HN 0.236 nan 8.270 nan 0.000 0.429 408 R N -0.500 120.011 120.500 0.019 0.000 2.152 408 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 408 R C 2.245 178.582 176.300 0.062 0.000 1.117 408 R CA 1.179 57.303 56.100 0.041 0.000 0.981 408 R CB -0.316 30.015 30.300 0.052 0.000 0.870 408 R HN 0.488 nan 8.270 nan 0.000 0.451 409 G N 0.693 109.524 108.800 0.052 0.000 2.464 409 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 409 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 409 G C 1.486 176.441 174.900 0.092 0.000 1.138 409 G CA 0.498 45.655 45.100 0.095 0.000 0.793 409 G HN 0.352 nan 8.290 nan 0.000 0.539 410 A N 0.946 123.796 122.820 0.051 0.000 2.125 410 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 410 A C 2.204 179.857 177.584 0.115 0.000 1.156 410 A CA 1.526 53.604 52.037 0.069 0.000 0.671 410 A CB -0.260 18.767 19.000 0.045 0.000 0.794 410 A HN 0.402 nan 8.150 nan 0.000 0.459 411 K N -0.409 120.052 120.400 0.102 0.000 2.147 411 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 411 K C 1.792 178.493 176.600 0.167 0.000 1.049 411 K CA 1.091 57.448 56.287 0.117 0.000 0.936 411 K CB -0.320 32.227 32.500 0.078 0.000 0.722 411 K HN 0.499 nan 8.250 nan 0.000 0.446 412 L N 1.111 122.425 121.223 0.151 0.000 2.027 412 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 412 L C 2.252 179.222 176.870 0.166 0.000 1.074 412 L CA 1.085 56.017 54.840 0.154 0.000 0.745 412 L CB -0.173 41.961 42.059 0.125 0.000 0.898 412 L HN 0.214 nan 8.230 nan 0.000 0.433 413 L N -1.536 119.773 121.223 0.144 0.000 1.989 413 L HA -0.327 4.013 4.340 -0.000 0.000 0.211 413 L C 2.509 179.467 176.870 0.146 0.000 1.071 413 L CA 1.752 56.665 54.840 0.122 0.000 0.749 413 L CB -0.802 41.312 42.059 0.091 0.000 0.890 413 L HN 0.258 nan 8.230 nan 0.000 0.431 414 Y N 0.500 120.840 120.300 0.066 0.000 2.030 414 Y HA -0.388 4.162 4.550 -0.000 0.000 0.274 414 Y C 2.561 178.496 175.900 0.057 0.000 1.153 414 Y CA 1.863 59.994 58.100 0.052 0.000 1.115 414 Y CB -0.410 38.073 38.460 0.038 0.000 0.969 414 Y HN 0.151 nan 8.280 nan 0.000 0.488 415 A N -0.666 122.346 122.820 0.319 0.000 1.903 415 A HA -0.326 3.994 4.320 -0.000 0.000 0.219 415 A C 2.172 179.807 177.584 0.086 0.000 1.191 415 A CA 2.131 54.290 52.037 0.203 0.000 0.638 415 A CB -1.677 17.436 19.000 0.189 0.000 0.823 415 A HN 0.762 nan 8.150 nan 0.000 0.451 416 Y N 0.336 120.641 120.300 0.008 0.000 2.263 416 Y HA 0.044 4.594 4.550 -0.000 0.000 0.292 416 Y C 2.503 178.363 175.900 -0.067 0.000 1.130 416 Y CA 1.359 59.444 58.100 -0.025 0.000 1.179 416 Y CB -0.542 37.906 38.460 -0.020 0.000 0.998 416 Y HN 0.257 nan 8.280 nan 0.000 0.532 417 G N -0.587 108.236 108.800 0.038 0.000 2.422 417 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 417 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 417 G C 1.539 176.328 174.900 -0.185 0.000 1.140 417 G CA 0.783 45.844 45.100 -0.065 0.000 0.775 417 G HN 0.479 nan 8.290 nan 0.000 0.545 418 E N 0.631 120.681 120.200 -0.249 0.000 2.158 418 E HA 0.172 4.522 4.350 -0.000 0.000 0.191 418 E C 1.644 178.140 176.600 -0.173 0.000 0.982 418 E CA 0.208 56.460 56.400 -0.246 0.000 0.823 418 E CB -0.126 29.409 29.700 -0.274 0.000 0.766 418 E HN 0.309 nan 8.360 nan 0.000 0.468 419 A N 0.657 123.358 122.820 -0.199 0.000 2.587 419 A HA -0.013 4.307 4.320 -0.000 0.000 0.233 419 A C 1.011 178.482 177.584 -0.188 0.000 1.049 419 A CA 1.050 52.961 52.037 -0.210 0.000 0.754 419 A CB 0.171 18.977 19.000 -0.323 0.000 0.977 419 A HN 0.399 nan 8.150 nan 0.000 0.509 420 T N -0.913 113.558 114.554 -0.138 0.000 2.975 420 T HA 0.313 4.663 4.350 -0.000 0.000 0.261 420 T C 0.624 175.274 174.700 -0.082 0.000 0.984 420 T CA 0.508 62.547 62.100 -0.102 0.000 0.911 420 T CB -1.259 67.565 68.868 -0.073 0.000 1.127 420 T HN 1.358 nan 8.240 nan 0.000 0.514 421 V N -0.229 119.633 119.914 -0.087 0.000 3.503 421 V HA 0.470 4.590 4.120 -0.000 0.000 0.300 421 V C -2.739 173.325 176.094 -0.051 0.000 1.099 421 V CA -2.169 60.099 62.300 -0.053 0.000 1.117 421 V CB -0.451 31.348 31.823 -0.039 0.000 1.122 421 V HN -0.020 nan 8.190 nan 0.000 0.476 422 P HA 0.291 nan 4.420 nan 0.000 0.268 422 P C -0.945 176.354 177.300 -0.002 0.000 1.205 422 P CA 0.177 63.278 63.100 0.002 0.000 0.771 422 P CB 0.240 31.957 31.700 0.028 0.000 0.858 423 K N 3.091 123.497 120.400 0.009 0.000 2.579 423 K HA 0.510 4.830 4.320 -0.000 0.000 0.250 423 K C -0.818 175.840 176.600 0.098 0.000 0.952 423 K CA -0.316 55.994 56.287 0.038 0.000 0.857 423 K CB 1.297 33.777 32.500 -0.032 0.000 1.123 423 K HN 0.384 nan 8.250 nan 0.000 0.433 424 I N 2.071 122.709 120.570 0.112 0.000 2.418 424 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 424 I C -0.387 175.785 176.117 0.092 0.000 1.008 424 I CA -0.672 60.691 61.300 0.106 0.000 1.104 424 I CB 2.232 40.296 38.000 0.106 0.000 1.264 424 I HN 0.404 nan 8.210 nan 0.000 0.438 425 T N 5.620 120.213 114.554 0.064 0.000 2.807 425 T HA 0.510 4.860 4.350 -0.000 0.000 0.279 425 T C -0.387 174.290 174.700 -0.039 0.000 0.993 425 T CA -0.443 61.660 62.100 0.004 0.000 0.970 425 T CB 1.894 70.745 68.868 -0.029 0.000 0.950 425 T HN 0.192 nan 8.240 nan 0.000 0.441 426 V N 5.136 124.992 119.914 -0.098 0.000 2.376 426 V HA 0.434 4.554 4.120 -0.000 0.000 0.287 426 V C -0.102 175.809 176.094 -0.304 0.000 1.015 426 V CA -0.775 61.415 62.300 -0.183 0.000 0.834 426 V CB 1.245 32.956 31.823 -0.185 0.000 1.001 426 V HN 0.824 nan 8.190 nan 0.000 0.428 427 I N 4.920 125.318 120.570 -0.288 0.000 2.308 427 I HA 0.153 4.323 4.170 -0.000 0.000 0.293 427 I C 1.670 177.498 176.117 -0.482 0.000 1.078 427 I CA 0.066 61.189 61.300 -0.295 0.000 1.292 427 I CB 1.581 39.487 38.000 -0.155 0.000 1.423 427 I HN 0.818 nan 8.210 nan 0.000 0.493 428 T N 2.872 117.065 114.554 -0.602 0.000 3.035 428 T HA 0.098 4.448 4.350 -0.000 0.000 0.259 428 T C 1.352 175.912 174.700 -0.233 0.000 1.078 428 T CA 0.525 62.166 62.100 -0.766 0.000 1.132 428 T CB 0.454 68.753 68.868 -0.949 0.000 0.900 428 T HN 0.621 nan 8.240 nan 0.000 0.480 429 R N 0.148 120.548 120.500 -0.167 0.000 3.040 429 R HA 0.383 4.723 4.340 -0.000 0.000 0.097 429 R C -0.789 175.417 176.300 -0.157 0.000 0.899 429 R CA -0.590 55.458 56.100 -0.086 0.000 0.710 429 R CB 0.431 30.741 30.300 0.017 0.000 0.643 429 R HN 0.010 nan 8.270 nan 0.000 0.353 430 K N 0.596 120.876 120.400 -0.200 0.000 2.295 430 K HA 0.456 4.776 4.320 -0.000 0.000 0.270 430 K C -1.063 175.305 176.600 -0.388 0.000 1.011 430 K CA 0.425 56.463 56.287 -0.415 0.000 0.953 430 K CB 1.549 33.788 32.500 -0.436 0.000 0.956 430 K HN 0.477 nan 8.250 nan 0.000 0.477 431 A N 3.317 125.822 122.820 -0.525 0.000 2.913 431 A HA 0.272 4.592 4.320 -0.000 0.000 0.284 431 A C -1.728 175.790 177.584 -0.111 0.000 1.273 431 A CA -0.745 51.166 52.037 -0.211 0.000 0.899 431 A CB 0.047 19.033 19.000 -0.023 0.000 1.444 431 A HN 0.520 nan 8.150 nan 0.000 0.586 432 Y N 0.454 120.777 120.300 0.039 0.000 2.419 432 Y HA 0.672 5.222 4.550 -0.000 0.000 0.328 432 Y C 1.464 177.411 175.900 0.078 0.000 1.162 432 Y CA -0.028 58.095 58.100 0.039 0.000 1.174 432 Y CB 0.958 39.432 38.460 0.023 0.000 1.228 432 Y HN 1.229 nan 8.280 nan 0.000 0.473 433 G N 1.252 110.200 108.800 0.247 0.000 2.596 433 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.334 433 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.334 433 G C 1.369 176.398 174.900 0.214 0.000 1.351 433 G CA 0.517 45.722 45.100 0.175 0.000 0.965 433 G HN 1.280 nan 8.290 nan 0.000 0.533 434 G N -0.264 108.662 108.800 0.210 0.000 2.479 434 G HA2 0.186 4.146 3.960 -0.000 0.000 0.220 434 G HA3 0.186 4.146 3.960 -0.000 0.000 0.220 434 G C 2.072 177.144 174.900 0.286 0.000 1.115 434 G CA 2.591 47.828 45.100 0.228 0.000 0.757 434 G HN 1.763 nan 8.290 nan 0.000 0.560 435 A N 0.393 123.377 122.820 0.272 0.000 1.908 435 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 435 A C 2.166 179.731 177.584 -0.031 0.000 1.181 435 A CA 1.747 53.777 52.037 -0.010 0.000 0.627 435 A CB -0.688 18.229 19.000 -0.139 0.000 0.818 435 A HN 0.578 nan 8.150 nan 0.000 0.445 436 Y N 0.103 120.375 120.300 -0.046 0.000 2.224 436 Y HA -0.253 4.297 4.550 -0.000 0.000 0.289 436 Y C 2.382 178.223 175.900 -0.098 0.000 1.146 436 Y CA 1.373 59.422 58.100 -0.085 0.000 1.182 436 Y CB -0.792 37.635 38.460 -0.056 0.000 0.983 436 Y HN 0.360 nan 8.280 nan 0.000 0.524 437 C N -0.396 118.751 119.300 -0.255 0.000 2.446 437 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 437 C C 2.952 177.753 174.990 -0.316 0.000 1.275 437 C CA 1.283 60.105 59.018 -0.326 0.000 1.727 437 C CB -1.362 26.336 27.740 -0.069 0.000 2.010 437 C HN 0.647 nan 8.230 nan 0.000 0.486 438 V N -1.622 118.180 119.914 -0.186 0.000 2.591 438 V HA 0.079 4.199 4.120 -0.000 0.000 0.249 438 V C 1.229 177.121 176.094 -0.336 0.000 1.053 438 V CA 1.415 63.611 62.300 -0.173 0.000 1.068 438 V CB -0.565 31.261 31.823 0.005 0.000 0.689 438 V HN 0.424 nan 8.190 nan 0.000 0.462 439 M N 2.314 121.701 119.600 -0.355 0.000 3.586 439 M HA 0.408 4.888 4.480 -0.000 0.000 0.225 439 M C 1.255 177.254 176.300 -0.502 0.000 1.428 439 M CA 0.671 55.741 55.300 -0.384 0.000 1.613 439 M CB -1.144 31.294 32.600 -0.270 0.000 1.063 439 M HN 0.739 nan 8.290 nan 0.000 0.593 440 G N 1.264 109.576 108.800 -0.813 0.000 2.246 440 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.273 440 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.273 440 G C 0.288 174.921 174.900 -0.445 0.000 1.055 440 G CA 0.478 45.122 45.100 -0.761 0.000 0.851 440 G HN 0.626 nan 8.290 nan 0.000 0.500 441 S N -0.781 114.585 115.700 -0.556 0.000 2.537 441 S HA 0.310 4.780 4.470 -0.000 0.000 0.286 441 S C 1.874 176.360 174.600 -0.190 0.000 1.299 441 S CA 0.687 58.548 58.200 -0.565 0.000 1.067 441 S CB 0.827 63.607 63.200 -0.699 0.000 0.864 441 S HN 0.718 nan 8.310 nan 0.000 0.494 442 K N 3.725 124.091 120.400 -0.057 0.000 2.059 442 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 442 K C 0.875 177.509 176.600 0.057 0.000 1.050 442 K CA 2.311 58.640 56.287 0.070 0.000 0.927 442 K CB -0.287 32.326 32.500 0.189 0.000 0.714 442 K HN 0.608 nan 8.250 nan 0.000 0.447 443 D N -0.534 119.867 120.400 0.001 0.000 2.352 443 D HA -0.040 4.600 4.640 -0.000 0.000 0.232 443 D C 0.900 177.195 176.300 -0.008 0.000 1.055 443 D CA 0.409 54.411 54.000 0.003 0.000 0.891 443 D CB 0.227 41.001 40.800 -0.043 0.000 0.897 443 D HN 0.244 nan 8.370 nan 0.000 0.529 444 M N -1.202 118.396 119.600 -0.003 0.000 2.371 444 M HA 0.199 4.679 4.480 -0.000 0.000 0.246 444 M C 1.111 177.484 176.300 0.122 0.000 1.103 444 M CA 0.158 55.485 55.300 0.044 0.000 1.010 444 M CB 0.673 33.281 32.600 0.013 0.000 1.457 444 M HN 0.151 nan 8.290 nan 0.000 0.486 445 G N 0.005 108.865 108.800 0.100 0.000 2.205 445 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.180 445 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.180 445 G C 0.238 175.190 174.900 0.086 0.000 1.004 445 G CA -0.058 45.080 45.100 0.064 0.000 0.670 445 G HN 0.451 nan 8.290 nan 0.000 0.496 446 C N 1.745 121.158 119.300 0.189 0.000 2.634 446 C HA 0.424 4.884 4.460 -0.000 0.000 0.418 446 C C 1.873 176.926 174.990 0.105 0.000 1.373 446 C CA 0.590 59.721 59.018 0.188 0.000 1.756 446 C CB -0.220 27.639 27.740 0.198 0.000 2.589 446 C HN 0.512 nan 8.230 nan 0.000 0.602 447 D N 2.148 122.598 120.400 0.084 0.000 2.084 447 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 447 D C 0.537 176.890 176.300 0.088 0.000 0.981 447 D CA 1.509 55.552 54.000 0.071 0.000 0.841 447 D CB -0.095 40.739 40.800 0.056 0.000 0.997 447 D HN 0.483 nan 8.370 nan 0.000 0.454 448 V N 0.815 120.788 119.914 0.098 0.000 2.495 448 V HA 0.431 4.551 4.120 -0.000 0.000 0.298 448 V C -1.562 174.590 176.094 0.095 0.000 1.031 448 V CA -0.646 61.720 62.300 0.109 0.000 0.871 448 V CB 1.533 33.439 31.823 0.138 0.000 0.988 448 V HN -0.027 nan 8.190 nan 0.000 0.432 449 N N 6.173 124.924 118.700 0.084 0.000 2.399 449 N HA 0.685 5.425 4.740 -0.000 0.000 0.280 449 N C -1.193 174.329 175.510 0.020 0.000 1.008 449 N CA -0.359 52.726 53.050 0.058 0.000 0.894 449 N CB 1.806 40.343 38.487 0.083 0.000 1.273 449 N HN 0.680 nan 8.380 nan 0.000 0.486 450 L N 1.193 122.404 121.223 -0.020 0.000 2.334 450 L HA 0.941 5.281 4.340 -0.000 0.000 0.273 450 L C -0.230 176.606 176.870 -0.056 0.000 1.013 450 L CA -1.084 53.714 54.840 -0.070 0.000 0.816 450 L CB 1.754 43.743 42.059 -0.116 0.000 1.278 450 L HN 0.500 nan 8.230 nan 0.000 0.431 451 A N 1.143 123.946 122.820 -0.029 0.000 2.449 451 A HA 0.724 5.044 4.320 -0.000 0.000 0.302 451 A C -1.732 175.931 177.584 0.132 0.000 1.048 451 A CA -0.492 51.531 52.037 -0.023 0.000 0.708 451 A CB 1.063 20.023 19.000 -0.067 0.000 1.274 451 A HN 0.545 nan 8.150 nan 0.000 0.410 452 W N 1.437 122.655 121.300 -0.137 0.000 2.253 452 W HA 0.481 5.141 4.660 -0.000 0.000 0.348 452 W C -1.970 174.455 176.519 -0.157 0.000 1.229 452 W CA -1.899 55.365 57.345 -0.136 0.000 1.335 452 W CB -0.045 29.349 29.460 -0.110 0.000 1.165 452 W HN 0.491 nan 8.180 nan 0.000 0.631 453 P HA -0.135 nan 4.420 nan 0.000 0.221 453 P C 1.021 178.322 177.300 0.001 0.000 1.145 453 P CA 2.103 65.196 63.100 -0.012 0.000 0.795 453 P CB 0.067 31.764 31.700 -0.007 0.000 0.775 454 T N -3.507 111.088 114.554 0.067 0.000 3.144 454 T HA 0.403 4.753 4.350 -0.000 0.000 0.249 454 T C 0.876 175.583 174.700 0.012 0.000 1.089 454 T CA -0.280 61.849 62.100 0.048 0.000 0.989 454 T CB -0.424 68.489 68.868 0.075 0.000 0.992 454 T HN 0.023 nan 8.240 nan 0.000 0.540 455 A N 1.800 124.608 122.820 -0.020 0.000 2.462 455 A HA 0.384 4.704 4.320 -0.000 0.000 0.243 455 A C 0.232 177.769 177.584 -0.078 0.000 1.076 455 A CA -0.307 51.686 52.037 -0.075 0.000 0.773 455 A CB 0.139 19.078 19.000 -0.102 0.000 1.010 455 A HN 0.540 nan 8.150 nan 0.000 0.493 456 Q N 1.716 121.461 119.800 -0.093 0.000 2.771 456 Q HA 0.382 4.722 4.340 -0.000 0.000 0.247 456 Q C -1.584 174.373 176.000 -0.072 0.000 0.986 456 Q CA -0.148 55.631 55.803 -0.040 0.000 0.713 456 Q CB 1.170 29.910 28.738 0.002 0.000 1.241 456 Q HN 0.663 nan 8.270 nan 0.000 0.488 457 I N 1.935 122.475 120.570 -0.050 0.000 2.304 457 I HA 0.634 4.804 4.170 -0.000 0.000 0.291 457 I C -0.020 176.102 176.117 0.008 0.000 1.018 457 I CA -0.018 61.230 61.300 -0.086 0.000 1.260 457 I CB 1.366 39.253 38.000 -0.188 0.000 1.390 457 I HN 0.515 nan 8.210 nan 0.000 0.475 458 A N 4.444 127.347 122.820 0.138 0.000 2.601 458 A HA 0.584 4.904 4.320 -0.000 0.000 0.291 458 A C 0.558 178.229 177.584 0.146 0.000 1.075 458 A CA -0.592 51.538 52.037 0.154 0.000 0.671 458 A CB 0.594 19.734 19.000 0.234 0.000 1.277 458 A HN 0.299 nan 8.150 nan 0.000 0.417 459 V N 0.432 120.384 119.914 0.064 0.000 2.332 459 V HA -0.051 4.069 4.120 -0.000 0.000 0.248 459 V C 1.036 177.114 176.094 -0.027 0.000 1.055 459 V CA 2.723 65.032 62.300 0.016 0.000 1.038 459 V CB -1.185 30.626 31.823 -0.020 0.000 0.651 459 V HN 0.955 nan 8.190 nan 0.000 0.450 460 M N -2.554 116.970 119.600 -0.128 0.000 3.084 460 M HA 0.626 5.106 4.480 -0.000 0.000 0.273 460 M C -0.132 175.811 176.300 -0.596 0.000 1.242 460 M CA -0.435 54.664 55.300 -0.335 0.000 0.819 460 M CB 1.369 33.834 32.600 -0.226 0.000 1.625 460 M HN -0.007 nan 8.290 nan 0.000 0.493 461 G N 0.157 108.530 108.800 -0.712 0.000 2.491 461 G HA2 0.442 4.402 3.960 -0.000 0.000 0.238 461 G HA3 0.442 4.402 3.960 -0.000 0.000 0.238 461 G C 0.777 175.516 174.900 -0.268 0.000 1.277 461 G CA -0.016 44.743 45.100 -0.569 0.000 0.851 461 G HN 1.031 nan 8.290 nan 0.000 0.573 462 A N 1.681 124.427 122.820 -0.124 0.000 1.940 462 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 462 A C 2.728 180.232 177.584 -0.133 0.000 1.176 462 A CA 2.364 54.335 52.037 -0.109 0.000 0.631 462 A CB -0.870 18.204 19.000 0.125 0.000 0.814 462 A HN 0.898 nan 8.150 nan 0.000 0.446 463 S N -0.641 115.017 115.700 -0.069 0.000 2.368 463 S HA -0.131 4.339 4.470 -0.000 0.000 0.226 463 S C 1.905 176.476 174.600 -0.049 0.000 1.044 463 S CA 2.135 60.309 58.200 -0.043 0.000 1.062 463 S CB -0.640 62.544 63.200 -0.026 0.000 0.931 463 S HN 0.753 nan 8.310 nan 0.000 0.440 464 G N -0.631 108.139 108.800 -0.051 0.000 2.880 464 G HA2 0.403 4.363 3.960 -0.000 0.000 0.209 464 G HA3 0.403 4.363 3.960 -0.000 0.000 0.209 464 G C 1.397 176.346 174.900 0.082 0.000 1.157 464 G CA 0.657 45.772 45.100 0.025 0.000 0.779 464 G HN 0.654 nan 8.290 nan 0.000 0.539 465 A N 0.836 123.590 122.820 -0.110 0.000 1.930 465 A HA 0.128 4.448 4.320 -0.000 0.000 0.215 465 A C 2.611 180.069 177.584 -0.210 0.000 1.176 465 A CA 1.738 53.628 52.037 -0.245 0.000 0.632 465 A CB -0.631 17.957 19.000 -0.687 0.000 0.819 465 A HN 0.738 nan 8.150 nan 0.000 0.445 466 V N -1.558 118.252 119.914 -0.174 0.000 2.490 466 V HA -0.055 4.065 4.120 -0.000 0.000 0.250 466 V C 2.308 178.446 176.094 0.073 0.000 1.061 466 V CA 1.885 64.216 62.300 0.051 0.000 1.064 466 V CB -1.850 30.048 31.823 0.124 0.000 0.670 466 V HN 0.380 nan 8.190 nan 0.000 0.461 467 G N 0.012 108.810 108.800 -0.004 0.000 2.476 467 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 467 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 467 G C 1.274 176.046 174.900 -0.213 0.000 1.164 467 G CA 1.542 46.556 45.100 -0.143 0.000 0.768 467 G HN 0.570 nan 8.290 nan 0.000 0.560 468 F N 0.095 119.998 119.950 -0.078 0.000 2.123 468 F HA 0.108 4.635 4.527 -0.000 0.000 0.289 468 F C 2.842 178.583 175.800 -0.100 0.000 1.099 468 F CA 0.472 58.426 58.000 -0.077 0.000 1.234 468 F CB -0.995 37.953 39.000 -0.086 0.000 1.034 468 F HN -0.064 nan 8.300 nan 0.000 0.479 469 V N -1.017 118.923 119.914 0.043 0.000 2.278 469 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 469 V C 0.700 176.626 176.094 -0.279 0.000 1.062 469 V CA 1.705 63.891 62.300 -0.189 0.000 1.038 469 V CB -0.851 30.743 31.823 -0.382 0.000 0.646 469 V HN 0.335 nan 8.190 nan 0.000 0.447 470 Y N -0.229 120.088 120.300 0.027 0.000 2.845 470 Y HA 0.377 4.927 4.550 -0.000 0.000 0.385 470 Y C 1.475 177.367 175.900 -0.013 0.000 1.133 470 Y CA -0.586 57.522 58.100 0.013 0.000 1.660 470 Y CB -0.241 38.224 38.460 0.008 0.000 1.683 470 Y HN 0.034 nan 8.280 nan 0.000 0.503 471 R N 0.219 120.766 120.500 0.077 0.000 2.062 471 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 471 R C 1.860 178.180 176.300 0.035 0.000 1.128 471 R CA 1.597 57.711 56.100 0.023 0.000 0.960 471 R CB 0.124 30.423 30.300 -0.002 0.000 0.855 471 R HN 0.273 nan 8.270 nan 0.000 0.432 472 Q N 0.310 120.142 119.800 0.053 0.000 2.020 472 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 472 Q C 1.971 178.003 176.000 0.054 0.000 0.974 472 Q CA 1.629 57.460 55.803 0.046 0.000 0.829 472 Q CB -0.417 28.349 28.738 0.047 0.000 0.894 472 Q HN 0.521 nan 8.270 nan 0.000 0.433 473 Q N 0.093 119.949 119.800 0.092 0.000 2.297 473 Q HA -0.078 4.262 4.340 -0.000 0.000 0.208 473 Q C 1.753 177.772 176.000 0.030 0.000 0.981 473 Q CA 0.621 56.465 55.803 0.067 0.000 0.876 473 Q CB 0.070 28.864 28.738 0.093 0.000 0.921 473 Q HN 0.306 nan 8.270 nan 0.000 0.446 474 L N -0.746 120.500 121.223 0.038 0.000 2.509 474 L HA 0.067 4.407 4.340 -0.000 0.000 0.222 474 L C 2.132 179.000 176.870 -0.003 0.000 1.123 474 L CA 0.305 55.149 54.840 0.008 0.000 0.856 474 L CB -0.185 41.878 42.059 0.007 0.000 0.985 474 L HN 0.221 nan 8.230 nan 0.000 0.456 475 A N 0.466 123.289 122.820 0.004 0.000 1.855 475 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 475 A C 2.014 179.595 177.584 -0.004 0.000 1.191 475 A CA 1.367 53.402 52.037 -0.003 0.000 0.613 475 A CB -0.295 18.707 19.000 0.002 0.000 0.829 475 A HN 0.304 nan 8.150 nan 0.000 0.442 476 E N 0.313 120.513 120.200 0.000 0.000 2.333 476 E HA 0.046 4.396 4.350 -0.000 0.000 0.198 476 E C 1.865 178.460 176.600 -0.007 0.000 1.007 476 E CA 0.852 57.251 56.400 -0.002 0.000 0.845 476 E CB -0.409 29.292 29.700 0.001 0.000 0.766 476 E HN 0.586 nan 8.360 nan 0.000 0.507 477 A N 0.588 123.402 122.820 -0.010 0.000 2.125 477 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 477 A C 2.071 179.646 177.584 -0.015 0.000 1.156 477 A CA 1.447 53.474 52.037 -0.016 0.000 0.671 477 A CB -0.257 18.730 19.000 -0.021 0.000 0.794 477 A HN 0.249 nan 8.150 nan 0.000 0.459 478 A N -1.986 120.825 122.820 -0.014 0.000 2.387 478 A HA 0.696 5.016 4.320 -0.000 0.000 0.234 478 A C 1.559 179.136 177.584 -0.011 0.000 1.253 478 A CA 1.002 53.030 52.037 -0.014 0.000 0.894 478 A CB -0.231 18.760 19.000 -0.016 0.000 0.963 478 A HN 0.740 nan 8.150 nan 0.000 0.508 479 A N 0.347 123.161 122.820 -0.009 0.000 2.083 479 A HA 0.344 4.664 4.320 -0.000 0.000 0.210 479 A C 1.336 178.916 177.584 -0.007 0.000 2.137 479 A CA 0.700 52.733 52.037 -0.008 0.000 1.008 479 A CB -0.320 18.677 19.000 -0.006 0.000 1.306 479 A HN 0.392 nan 8.150 nan 0.000 0.632 480 N N 0.860 119.556 118.700 -0.007 0.000 2.055 480 N HA 0.240 4.980 4.740 -0.000 0.000 0.199 480 N C 1.091 176.596 175.510 -0.009 0.000 1.162 480 N CA 1.136 54.182 53.050 -0.007 0.000 0.971 480 N CB -0.878 37.605 38.487 -0.006 0.000 1.083 480 N HN 0.415 nan 8.380 nan 0.000 0.434 481 G N 0.560 109.354 108.800 -0.010 0.000 2.563 481 G HA2 0.074 4.034 3.960 -0.000 0.000 0.295 481 G HA3 0.074 4.034 3.960 -0.000 0.000 0.295 481 G C -0.578 174.313 174.900 -0.014 0.000 0.874 481 G CA -0.010 45.083 45.100 -0.012 0.000 1.642 481 G HN 0.277 nan 8.290 nan 0.000 0.483 482 E N 0.901 121.093 120.200 -0.013 0.000 2.343 482 E HA 0.362 4.712 4.350 -0.000 0.000 0.269 482 E C -0.064 176.527 176.600 -0.015 0.000 1.047 482 E CA -0.016 56.375 56.400 -0.014 0.000 0.874 482 E CB 1.260 30.953 29.700 -0.012 0.000 1.033 482 E HN 0.675 nan 8.360 nan 0.000 0.409 483 D N 1.736 122.126 120.400 -0.017 0.000 4.428 483 D HA -0.079 4.561 4.640 -0.000 0.000 0.100 483 D C -1.109 175.179 176.300 -0.021 0.000 0.471 483 D CA -0.203 53.787 54.000 -0.017 0.000 0.691 483 D CB -1.159 39.631 40.800 -0.016 0.000 1.605 483 D HN 0.371 nan 8.370 nan 0.000 0.257 484 I N 1.369 121.925 120.570 -0.022 0.000 3.045 484 I HA 0.023 4.193 4.170 -0.000 0.000 0.306 484 I C 0.561 176.664 176.117 -0.024 0.000 1.232 484 I CA 1.423 62.707 61.300 -0.026 0.000 1.415 484 I CB 0.277 38.261 38.000 -0.026 0.000 1.364 484 I HN 0.364 nan 8.210 nan 0.000 0.538 485 D N 2.432 122.817 120.400 -0.025 0.000 4.287 485 D HA -0.143 4.497 4.640 -0.000 0.000 0.110 485 D C 1.121 177.408 176.300 -0.021 0.000 0.428 485 D CA 0.532 54.520 54.000 -0.021 0.000 0.607 485 D CB -0.542 40.248 40.800 -0.016 0.000 1.617 485 D HN 0.591 nan 8.370 nan 0.000 0.191 486 K N 0.583 120.968 120.400 -0.025 0.000 2.365 486 K HA 0.190 4.510 4.320 -0.000 0.000 0.195 486 K C 1.581 178.158 176.600 -0.039 0.000 1.079 486 K CA 0.236 56.507 56.287 -0.026 0.000 0.979 486 K CB 0.863 33.349 32.500 -0.023 0.000 0.929 486 K HN 0.167 nan 8.250 nan 0.000 0.523 487 L N 0.439 121.632 121.223 -0.049 0.000 2.701 487 L HA 0.306 4.646 4.340 -0.000 0.000 0.238 487 L C 1.760 178.573 176.870 -0.096 0.000 1.106 487 L CA 0.253 55.047 54.840 -0.077 0.000 0.898 487 L CB 0.285 42.299 42.059 -0.075 0.000 1.188 487 L HN -0.063 nan 8.230 nan 0.000 0.508 488 R N -1.016 119.447 120.500 -0.062 0.000 2.317 488 R HA 0.159 4.499 4.340 -0.000 0.000 0.208 488 R C 1.152 177.431 176.300 -0.036 0.000 0.914 488 R CA 0.326 56.396 56.100 -0.051 0.000 1.060 488 R CB 0.347 30.625 30.300 -0.037 0.000 1.015 488 R HN 0.340 nan 8.270 nan 0.000 0.498 489 L N -0.705 120.498 121.223 -0.034 0.000 2.685 489 L HA 0.237 4.577 4.340 -0.000 0.000 0.235 489 L C 2.023 178.884 176.870 -0.015 0.000 1.070 489 L CA 0.583 55.413 54.840 -0.017 0.000 0.888 489 L CB -0.004 42.048 42.059 -0.013 0.000 1.203 489 L HN -0.078 nan 8.230 nan 0.000 0.499 490 R N -0.572 119.907 120.500 -0.035 0.000 2.075 490 R HA 0.008 4.348 4.340 -0.000 0.000 0.226 490 R C 2.027 178.302 176.300 -0.041 0.000 1.114 490 R CA 1.234 57.314 56.100 -0.034 0.000 0.972 490 R CB -0.159 30.111 30.300 -0.049 0.000 0.869 490 R HN 0.308 nan 8.270 nan 0.000 0.437 491 L N 0.824 121.987 121.223 -0.101 0.000 2.083 491 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 491 L C 2.809 179.708 176.870 0.048 0.000 1.083 491 L CA 1.468 56.219 54.840 -0.150 0.000 0.752 491 L CB -0.503 41.287 42.059 -0.449 0.000 0.899 491 L HN 0.382 nan 8.230 nan 0.000 0.433 492 Q N -0.015 119.810 119.800 0.042 0.000 2.061 492 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 492 Q C 2.313 178.389 176.000 0.127 0.000 0.984 492 Q CA 1.807 57.661 55.803 0.086 0.000 0.846 492 Q CB -0.135 28.625 28.738 0.037 0.000 0.902 492 Q HN 0.404 nan 8.270 nan 0.000 0.421 493 Q N 0.153 120.002 119.800 0.082 0.000 2.297 493 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 493 Q C 1.499 177.556 176.000 0.094 0.000 0.962 493 Q CA 1.366 57.218 55.803 0.081 0.000 0.879 493 Q CB 0.139 28.906 28.738 0.048 0.000 0.947 493 Q HN 0.536 nan 8.270 nan 0.000 0.462 494 E N -0.923 119.338 120.200 0.102 0.000 2.122 494 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 494 E C 1.621 178.316 176.600 0.159 0.000 0.977 494 E CA 0.426 56.886 56.400 0.101 0.000 0.820 494 E CB -0.086 29.654 29.700 0.067 0.000 0.770 494 E HN 0.370 nan 8.360 nan 0.000 0.462 495 Y N 1.304 121.670 120.300 0.111 0.000 2.314 495 Y HA -0.119 4.431 4.550 -0.000 0.000 0.293 495 Y C 2.051 178.003 175.900 0.087 0.000 1.129 495 Y CA 1.868 60.047 58.100 0.133 0.000 1.201 495 Y CB 0.079 38.650 38.460 0.184 0.000 0.999 495 Y HN 0.059 nan 8.280 nan 0.000 0.541 496 E N 0.077 120.445 120.200 0.281 0.000 2.106 496 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 496 E C 1.268 177.926 176.600 0.097 0.000 0.984 496 E CA 1.742 58.257 56.400 0.193 0.000 0.806 496 E CB -0.179 29.621 29.700 0.166 0.000 0.750 496 E HN 0.405 nan 8.360 nan 0.000 0.458 497 D N -1.024 119.422 120.400 0.077 0.000 2.340 497 D HA -0.012 4.628 4.640 -0.000 0.000 0.220 497 D C 1.104 177.419 176.300 0.026 0.000 1.039 497 D CA 1.233 55.265 54.000 0.053 0.000 0.866 497 D CB 0.535 41.364 40.800 0.049 0.000 0.913 497 D HN 0.380 nan 8.370 nan 0.000 0.523 498 T N -3.320 111.227 114.554 -0.012 0.000 2.958 498 T HA 0.149 4.499 4.350 -0.000 0.000 0.256 498 T C 1.375 176.016 174.700 -0.097 0.000 0.983 498 T CA -0.120 61.954 62.100 -0.043 0.000 0.924 498 T CB 0.343 69.184 68.868 -0.045 0.000 1.136 498 T HN -0.093 nan 8.240 nan 0.000 0.506 499 L N 0.814 121.929 121.223 -0.180 0.000 2.678 499 L HA 0.499 4.839 4.340 -0.000 0.000 0.211 499 L C 0.581 177.395 176.870 -0.093 0.000 1.043 499 L CA 0.373 55.077 54.840 -0.227 0.000 0.881 499 L CB 0.273 41.978 42.059 -0.590 0.000 1.361 499 L HN 0.060 nan 8.230 nan 0.000 0.484 500 V N 3.371 123.267 119.914 -0.031 0.000 2.356 500 V HA 0.215 4.335 4.120 -0.000 0.000 0.244 500 V C -0.287 175.847 176.094 0.066 0.000 1.120 500 V CA 0.114 62.468 62.300 0.089 0.000 1.181 500 V CB -2.000 29.932 31.823 0.181 0.000 1.244 500 V HN 0.719 nan 8.190 nan 0.000 0.487 501 N N 3.847 122.564 118.700 0.028 0.000 3.387 501 N HA 0.462 5.202 4.740 -0.000 0.000 0.294 501 N C -2.630 172.817 175.510 -0.106 0.000 1.519 501 N CA -1.067 51.970 53.050 -0.021 0.000 0.875 501 N CB 1.225 39.749 38.487 0.061 0.000 1.657 501 N HN 0.027 nan 8.380 nan 0.000 0.527 502 P HA 0.100 nan 4.420 nan 0.000 0.245 502 P C 0.370 177.507 177.300 -0.271 0.000 1.199 502 P CA 0.721 63.639 63.100 -0.304 0.000 0.807 502 P CB 0.181 31.640 31.700 -0.400 0.000 1.002 503 Y N 0.122 120.415 120.300 -0.012 0.000 2.293 503 Y HA -0.123 4.427 4.550 -0.000 0.000 0.291 503 Y C 2.575 178.455 175.900 -0.032 0.000 1.137 503 Y CA 0.497 58.585 58.100 -0.020 0.000 1.202 503 Y CB -1.232 37.216 38.460 -0.021 0.000 0.990 503 Y HN -0.264 nan 8.280 nan 0.000 0.537 504 V N -0.232 119.734 119.914 0.087 0.000 2.427 504 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 504 V C 2.394 178.485 176.094 -0.005 0.000 1.051 504 V CA 1.727 64.043 62.300 0.026 0.000 1.048 504 V CB -1.055 30.767 31.823 -0.002 0.000 0.666 504 V HN 0.481 nan 8.190 nan 0.000 0.456 505 A N -0.172 122.645 122.820 -0.004 0.000 1.930 505 A HA 0.118 4.438 4.320 -0.000 0.000 0.215 505 A C 2.404 179.978 177.584 -0.017 0.000 1.176 505 A CA 1.417 53.465 52.037 0.018 0.000 0.632 505 A CB -0.618 18.404 19.000 0.037 0.000 0.819 505 A HN 0.513 nan 8.150 nan 0.000 0.445 506 A N 0.133 122.954 122.820 0.002 0.000 1.940 506 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 506 A C 1.858 179.437 177.584 -0.008 0.000 1.176 506 A CA 1.771 53.818 52.037 0.017 0.000 0.631 506 A CB -0.484 18.552 19.000 0.061 0.000 0.814 506 A HN 0.631 nan 8.150 nan 0.000 0.446 507 E N -1.054 119.135 120.200 -0.017 0.000 2.208 507 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 507 E C 1.895 178.419 176.600 -0.127 0.000 0.988 507 E CA 0.304 56.677 56.400 -0.045 0.000 0.828 507 E CB 0.004 29.689 29.700 -0.024 0.000 0.763 507 E HN 0.288 nan 8.360 nan 0.000 0.478 508 R N -0.554 119.802 120.500 -0.241 0.000 2.297 508 R HA 0.043 4.383 4.340 -0.000 0.000 0.197 508 R C 1.190 177.177 176.300 -0.523 0.000 0.943 508 R CA 0.792 56.601 56.100 -0.485 0.000 1.038 508 R CB 0.615 30.371 30.300 -0.907 0.000 0.957 508 R HN 0.337 nan 8.270 nan 0.000 0.484 509 G N 0.293 108.935 108.800 -0.264 0.000 2.199 509 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.254 509 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.254 509 G C 0.537 175.447 174.900 0.017 0.000 0.982 509 G CA 0.348 45.383 45.100 -0.109 0.000 0.632 509 G HN 0.309 nan 8.290 nan 0.000 0.529 510 Y N 0.050 120.383 120.300 0.056 0.000 2.483 510 Y HA 0.286 4.836 4.550 -0.000 0.000 0.291 510 Y C 1.659 177.612 175.900 0.089 0.000 1.143 510 Y CA 0.531 58.687 58.100 0.092 0.000 1.289 510 Y CB -0.114 38.410 38.460 0.108 0.000 0.983 510 Y HN 0.212 nan 8.280 nan 0.000 0.556 511 V N 0.685 120.702 119.914 0.171 0.000 2.531 511 V HA 0.154 4.274 4.120 -0.000 0.000 0.301 511 V C 0.312 176.449 176.094 0.071 0.000 1.034 511 V CA -0.998 61.364 62.300 0.103 0.000 0.865 511 V CB 1.949 33.805 31.823 0.055 0.000 0.995 511 V HN -0.005 nan 8.190 nan 0.000 0.424 512 D N 3.168 123.610 120.400 0.071 0.000 2.149 512 D HA 0.170 4.810 4.640 -0.000 0.000 0.201 512 D C 0.626 176.965 176.300 0.066 0.000 0.972 512 D CA 1.588 55.633 54.000 0.076 0.000 0.835 512 D CB 0.580 41.438 40.800 0.097 0.000 0.966 512 D HN 0.725 nan 8.370 nan 0.000 0.476 513 A N -0.662 122.174 122.820 0.027 0.000 2.583 513 A HA 0.417 4.737 4.320 -0.000 0.000 0.298 513 A C -1.393 176.166 177.584 -0.041 0.000 1.055 513 A CA -0.612 51.434 52.037 0.016 0.000 0.714 513 A CB 1.240 20.270 19.000 0.051 0.000 1.277 513 A HN -0.143 nan 8.150 nan 0.000 0.406 514 V N 3.330 123.237 119.914 -0.013 0.000 2.270 514 V HA 0.399 4.519 4.120 -0.000 0.000 0.263 514 V C -0.126 175.941 176.094 -0.046 0.000 1.066 514 V CA -0.015 62.261 62.300 -0.040 0.000 0.857 514 V CB -0.346 31.439 31.823 -0.063 0.000 1.099 514 V HN 0.738 nan 8.190 nan 0.000 0.476 515 I N 3.825 124.339 120.570 -0.092 0.000 2.676 515 I HA 0.708 4.878 4.170 -0.000 0.000 0.309 515 I C -2.393 173.586 176.117 -0.231 0.000 0.990 515 I CA -2.918 58.284 61.300 -0.164 0.000 1.168 515 I CB 0.654 38.527 38.000 -0.212 0.000 1.343 515 I HN 0.232 nan 8.210 nan 0.000 0.482 516 P HA 0.187 nan 4.420 nan 0.000 0.271 516 P C -2.329 174.627 177.300 -0.572 0.000 1.220 516 P CA -1.162 61.651 63.100 -0.478 0.000 0.768 516 P CB 0.416 31.799 31.700 -0.529 0.000 0.848 517 P HA -0.324 nan 4.420 nan 0.000 0.222 517 P C 1.870 178.830 177.300 -0.566 0.000 1.159 517 P CA 2.672 64.865 63.100 -1.512 0.000 0.920 517 P CB -0.477 30.229 31.700 -1.657 0.000 0.793 518 S N -2.264 113.259 115.700 -0.294 0.000 2.420 518 S HA -0.262 4.208 4.470 -0.000 0.000 0.237 518 S C 1.687 176.379 174.600 0.154 0.000 1.023 518 S CA 1.634 59.818 58.200 -0.027 0.000 0.991 518 S CB -1.608 61.615 63.200 0.038 0.000 0.792 518 S HN 0.255 nan 8.310 nan 0.000 0.488 519 H N 1.632 120.677 119.070 -0.041 0.000 2.529 519 H HA 0.177 4.733 4.556 -0.000 0.000 0.277 519 H C 2.238 177.676 175.328 0.183 0.000 0.999 519 H CA 1.040 57.145 56.048 0.095 0.000 1.256 519 H CB -1.094 28.758 29.762 0.150 0.000 1.402 519 H HN 0.445 nan 8.280 nan 0.000 0.566 520 T N 0.647 115.360 114.554 0.265 0.000 2.624 520 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 520 T C 2.208 177.065 174.700 0.263 0.000 1.041 520 T CA 1.436 63.716 62.100 0.301 0.000 1.159 520 T CB 0.029 69.139 68.868 0.404 0.000 0.863 520 T HN 0.270 nan 8.240 nan 0.000 0.434 521 R N 0.762 121.380 120.500 0.197 0.000 2.096 521 R HA -0.085 4.255 4.340 -0.000 0.000 0.240 521 R C 2.768 179.147 176.300 0.132 0.000 1.139 521 R CA 1.998 58.185 56.100 0.144 0.000 0.952 521 R CB -1.184 29.177 30.300 0.102 0.000 0.854 521 R HN 0.536 nan 8.270 nan 0.000 0.436 522 G N -1.375 107.499 108.800 0.124 0.000 2.421 522 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 522 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 522 G C 1.398 176.351 174.900 0.088 0.000 1.143 522 G CA 0.234 45.375 45.100 0.069 0.000 0.784 522 G HN 0.329 nan 8.290 nan 0.000 0.541 523 Y N 0.697 121.042 120.300 0.074 0.000 2.163 523 Y HA 0.036 4.586 4.550 -0.000 0.000 0.288 523 Y C 2.720 178.667 175.900 0.079 0.000 1.136 523 Y CA 1.164 59.316 58.100 0.086 0.000 1.147 523 Y CB -0.026 38.507 38.460 0.122 0.000 0.987 523 Y HN 0.104 nan 8.280 nan 0.000 0.509 524 I N -0.899 119.832 120.570 0.268 0.000 2.361 524 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 524 I C 2.553 178.743 176.117 0.122 0.000 1.133 524 I CA 1.266 62.674 61.300 0.181 0.000 1.413 524 I CB -0.860 37.231 38.000 0.153 0.000 1.073 524 I HN 0.292 nan 8.210 nan 0.000 0.424 525 G N 0.426 109.287 108.800 0.101 0.000 2.433 525 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 525 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 525 G C 1.652 176.577 174.900 0.042 0.000 1.186 525 G CA 1.430 46.569 45.100 0.065 0.000 0.779 525 G HN 0.275 nan 8.290 nan 0.000 0.543 526 T N 1.645 116.208 114.554 0.014 0.000 2.821 526 T HA 0.071 4.421 4.350 -0.000 0.000 0.267 526 T C 2.782 177.488 174.700 0.009 0.000 1.046 526 T CA 1.408 63.498 62.100 -0.018 0.000 1.139 526 T CB -0.325 68.485 68.868 -0.097 0.000 0.871 526 T HN 0.369 nan 8.240 nan 0.000 0.454 527 A N 1.227 124.076 122.820 0.047 0.000 1.933 527 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 527 A C 2.248 179.872 177.584 0.067 0.000 1.175 527 A CA 1.079 53.164 52.037 0.079 0.000 0.628 527 A CB -0.796 18.291 19.000 0.145 0.000 0.814 527 A HN 0.475 nan 8.150 nan 0.000 0.444 528 L N -1.245 120.019 121.223 0.068 0.000 2.201 528 L HA -0.112 4.228 4.340 -0.000 0.000 0.212 528 L C 2.733 179.631 176.870 0.046 0.000 1.105 528 L CA 1.383 56.260 54.840 0.061 0.000 0.775 528 L CB -0.325 41.775 42.059 0.068 0.000 0.913 528 L HN 0.469 nan 8.230 nan 0.000 0.440 529 R N 0.245 120.767 120.500 0.037 0.000 2.075 529 R HA -0.140 4.200 4.340 -0.000 0.000 0.226 529 R C 2.324 178.638 176.300 0.024 0.000 1.114 529 R CA 0.946 57.062 56.100 0.027 0.000 0.972 529 R CB -0.120 30.191 30.300 0.018 0.000 0.869 529 R HN 0.193 nan 8.270 nan 0.000 0.437 530 L N 0.825 122.062 121.223 0.024 0.000 2.046 530 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 530 L C 1.530 178.416 176.870 0.027 0.000 1.077 530 L CA 1.604 56.458 54.840 0.023 0.000 0.747 530 L CB -0.209 41.865 42.059 0.025 0.000 0.896 530 L HN 0.207 nan 8.230 nan 0.000 0.432 531 L N -0.210 121.033 121.223 0.033 0.000 2.599 531 L HA -0.010 4.330 4.340 -0.000 0.000 0.230 531 L C 2.137 179.023 176.870 0.027 0.000 1.141 531 L CA 0.825 55.684 54.840 0.031 0.000 0.877 531 L CB -1.347 40.735 42.059 0.038 0.000 1.009 531 L HN 0.515 nan 8.230 nan 0.000 0.447 532 E N 1.528 121.744 120.200 0.027 0.000 2.055 532 E HA -0.237 4.113 4.350 -0.000 0.000 0.209 532 E C 1.355 177.968 176.600 0.021 0.000 1.036 532 E CA 1.690 58.105 56.400 0.026 0.000 0.849 532 E CB 0.130 29.845 29.700 0.024 0.000 0.767 532 E HN 0.337 nan 8.360 nan 0.000 0.461 533 R N 1.506 122.017 120.500 0.017 0.000 3.541 533 R HA 0.119 4.459 4.340 -0.000 0.000 0.277 533 R C -0.345 175.962 176.300 0.011 0.000 1.539 533 R CA -0.036 56.072 56.100 0.014 0.000 1.338 533 R CB -0.578 29.730 30.300 0.012 0.000 1.343 533 R HN -0.002 nan 8.270 nan 0.000 0.623 534 K N 1.959 122.366 120.400 0.011 0.000 2.382 534 K HA 0.051 4.371 4.320 -0.000 0.000 0.286 534 K C -0.490 176.110 176.600 0.001 0.000 1.062 534 K CA -0.216 56.075 56.287 0.007 0.000 1.000 534 K CB 0.421 32.924 32.500 0.006 0.000 0.954 534 K HN 0.143 nan 8.250 nan 0.000 0.470 535 I N 3.951 124.522 120.570 0.001 0.000 2.312 535 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 535 I C 0.176 176.289 176.117 -0.008 0.000 1.031 535 I CA -0.156 61.143 61.300 -0.003 0.000 1.293 535 I CB 0.313 38.313 38.000 -0.000 0.000 1.403 535 I HN 0.702 nan 8.210 nan 0.000 0.484 536 A N 7.192 130.003 122.820 -0.014 0.000 2.589 536 A HA 0.787 5.107 4.320 -0.000 0.000 0.296 536 A C -0.981 176.588 177.584 -0.026 0.000 1.062 536 A CA -0.586 51.438 52.037 -0.021 0.000 0.686 536 A CB 2.155 21.138 19.000 -0.029 0.000 1.282 536 A HN 0.715 nan 8.150 nan 0.000 0.404 537 Q N 0.623 120.406 119.800 -0.028 0.000 2.575 537 Q HA 0.783 5.123 4.340 -0.000 0.000 0.290 537 Q C -1.785 174.195 176.000 -0.033 0.000 0.963 537 Q CA -0.922 54.863 55.803 -0.029 0.000 0.783 537 Q CB 1.254 29.980 28.738 -0.020 0.000 1.467 537 Q HN 0.566 nan 8.270 nan 0.000 0.402 538 L N 1.068 122.271 121.223 -0.033 0.000 2.360 538 L HA 0.604 4.944 4.340 -0.000 0.000 0.271 538 L C -2.013 174.844 176.870 -0.023 0.000 1.057 538 L CA -2.063 52.756 54.840 -0.035 0.000 0.803 538 L CB 0.694 42.730 42.059 -0.039 0.000 1.207 538 L HN 0.581 nan 8.230 nan 0.000 0.445 539 P HA 0.034 nan 4.420 nan 0.000 0.269 539 P C -2.461 174.832 177.300 -0.013 0.000 1.211 539 P CA -0.670 62.421 63.100 -0.016 0.000 0.781 539 P CB -0.369 31.322 31.700 -0.016 0.000 0.877 540 P HA 0.073 nan 4.420 nan 0.000 0.262 540 P C -0.806 176.484 177.300 -0.017 0.000 1.199 540 P CA 0.414 63.507 63.100 -0.012 0.000 0.763 540 P CB 0.252 31.945 31.700 -0.011 0.000 0.790 541 K N 1.317 121.706 120.400 -0.019 0.000 2.610 541 K HA 0.223 4.543 4.320 -0.000 0.000 0.267 541 K C 0.241 176.817 176.600 -0.041 0.000 0.943 541 K CA -1.062 55.202 56.287 -0.039 0.000 0.862 541 K CB 0.947 33.424 32.500 -0.039 0.000 1.376 541 K HN -0.071 nan 8.250 nan 0.000 0.412 542 K N 0.585 120.931 120.400 -0.089 0.000 2.074 542 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 542 K C 0.063 176.680 176.600 0.029 0.000 1.048 542 K CA 2.346 58.596 56.287 -0.063 0.000 0.926 542 K CB -0.503 31.910 32.500 -0.144 0.000 0.713 542 K HN 0.889 nan 8.250 nan 0.000 0.444 543 H N -4.741 114.339 119.070 0.017 0.000 2.951 543 H HA 0.370 4.926 4.556 -0.000 0.000 0.292 543 H C -0.228 175.128 175.328 0.048 0.000 1.412 543 H CA -0.583 55.481 56.048 0.028 0.000 1.206 543 H CB 0.264 30.033 29.762 0.013 0.000 1.862 543 H HN 0.034 nan 8.280 nan 0.000 0.502 544 G N -0.582 108.376 108.800 0.264 0.000 2.508 544 G HA2 0.277 4.237 3.960 -0.000 0.000 0.278 544 G HA3 0.277 4.237 3.960 -0.000 0.000 0.278 544 G C -0.361 174.665 174.900 0.211 0.000 1.389 544 G CA -0.372 44.883 45.100 0.259 0.000 1.050 544 G HN 0.749 nan 8.290 nan 0.000 0.522 545 N N -1.078 117.687 118.700 0.108 0.000 2.610 545 N HA 0.144 4.884 4.740 -0.000 0.000 0.307 545 N C -0.243 175.143 175.510 -0.207 0.000 1.813 545 N CA -0.455 52.594 53.050 -0.001 0.000 0.901 545 N CB 0.673 39.184 38.487 0.041 0.000 1.354 545 N HN 0.320 nan 8.380 nan 0.000 0.491 546 V N 1.645 121.205 119.914 -0.590 0.000 2.843 546 V HA 0.125 4.245 4.120 -0.000 0.000 0.305 546 V C -1.973 173.906 176.094 -0.358 0.000 1.120 546 V CA -0.734 61.020 62.300 -0.911 0.000 1.254 546 V CB 0.398 31.600 31.823 -1.036 0.000 0.901 546 V HN 0.340 nan 8.190 nan 0.000 0.503 547 P HA 0.168 nan 4.420 nan 0.000 0.264 547 P C -0.571 176.676 177.300 -0.089 0.000 1.229 547 P CA -0.114 62.923 63.100 -0.105 0.000 0.780 547 P CB 0.236 31.907 31.700 -0.047 0.000 0.808 548 L N 0.000 121.179 121.223 -0.074 0.000 2.949 548 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 548 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 548 L CB 0.000 42.023 42.059 -0.060 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502