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_D 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 0.000 176.117 176.117 0.000 0.000 1.063 20 I CA 0.000 61.304 61.300 0.006 0.000 1.566 20 I CB 0.000 38.002 38.000 0.004 0.000 1.214 21 D N 2.697 123.094 120.400 -0.005 0.000 2.451 21 D HA 0.019 4.659 4.640 0.000 0.000 0.254 21 D C 0.935 177.243 176.300 0.014 0.000 1.204 21 D CA 0.315 54.303 54.000 -0.021 0.000 0.896 21 D CB 1.113 41.904 40.800 -0.015 0.000 1.136 21 D HN 0.439 nan 8.370 nan 0.000 0.499 22 I N 4.207 124.782 120.570 0.008 0.000 3.334 22 I HA -0.095 4.075 4.170 0.000 0.000 0.282 22 I C 1.155 177.412 176.117 0.232 0.000 1.313 22 I CA 0.920 62.275 61.300 0.091 0.000 1.396 22 I CB -0.384 37.670 38.000 0.089 0.000 1.054 22 I HN 0.514 nan 8.210 nan 0.000 0.495 23 H N -1.253 117.818 119.070 0.002 0.000 2.586 23 H HA 0.197 4.753 4.556 0.000 0.000 0.273 23 H C 0.649 175.978 175.328 0.001 0.000 0.997 23 H CA 0.281 56.330 56.048 0.001 0.000 1.177 23 H CB 0.288 30.051 29.762 0.001 0.000 1.471 23 H HN 0.336 nan 8.280 nan 0.000 0.538 24 T N -2.725 111.900 114.554 0.118 0.000 2.945 24 T HA 0.140 4.490 4.350 0.000 0.000 0.286 24 T C 1.364 176.090 174.700 0.044 0.000 1.025 24 T CA -0.609 61.530 62.100 0.065 0.000 1.039 24 T CB 2.193 71.091 68.868 0.048 0.000 1.068 24 T HN -0.126 nan 8.240 nan 0.000 0.497 25 T N 1.641 116.212 114.554 0.029 0.000 2.622 25 T HA -0.074 4.276 4.350 0.000 0.000 0.266 25 T C 2.405 177.120 174.700 0.025 0.000 1.047 25 T CA 1.806 63.918 62.100 0.021 0.000 1.159 25 T CB -0.964 67.913 68.868 0.015 0.000 0.863 25 T HN 0.847 nan 8.240 nan 0.000 0.422 26 A N 1.168 124.004 122.820 0.028 0.000 1.978 26 A HA 0.038 4.358 4.320 0.000 0.000 0.220 26 A C 2.563 180.171 177.584 0.040 0.000 1.170 26 A CA 1.976 54.034 52.037 0.034 0.000 0.636 26 A CB -1.276 17.742 19.000 0.029 0.000 0.810 26 A HN 0.543 nan 8.150 nan 0.000 0.448 27 G N -0.703 108.119 108.800 0.037 0.000 2.421 27 G HA2 -0.147 3.813 3.960 0.000 0.000 0.217 27 G HA3 -0.147 3.813 3.960 0.000 0.000 0.217 27 G C 1.639 176.563 174.900 0.040 0.000 1.143 27 G CA 0.961 46.085 45.100 0.040 0.000 0.784 27 G HN 0.584 nan 8.290 nan 0.000 0.541 28 K N -0.613 119.807 120.400 0.034 0.000 2.167 28 K HA 0.153 4.473 4.320 0.000 0.000 0.203 28 K C 2.179 178.782 176.600 0.006 0.000 1.052 28 K CA 0.223 56.522 56.287 0.020 0.000 0.956 28 K CB -0.111 32.396 32.500 0.011 0.000 0.735 28 K HN 0.231 nan 8.250 nan 0.000 0.451 29 L N 0.879 122.112 121.223 0.017 0.000 2.093 29 L HA -0.012 4.328 4.340 0.000 0.000 0.208 29 L C 2.010 178.922 176.870 0.070 0.000 1.085 29 L CA 1.543 56.390 54.840 0.012 0.000 0.755 29 L CB -0.530 41.560 42.059 0.052 0.000 0.904 29 L HN 0.085 nan 8.230 nan 0.000 0.435 30 A N -1.046 121.835 122.820 0.102 0.000 2.016 30 A HA -0.127 4.193 4.320 0.000 0.000 0.217 30 A C 2.164 179.801 177.584 0.089 0.000 1.162 30 A CA 1.207 53.326 52.037 0.136 0.000 0.662 30 A CB -0.468 18.582 19.000 0.084 0.000 0.812 30 A HN 0.503 nan 8.150 nan 0.000 0.450 31 E N 0.196 120.422 120.200 0.043 0.000 2.047 31 E HA -0.168 4.182 4.350 0.000 0.000 0.191 31 E C 1.766 178.368 176.600 0.003 0.000 0.987 31 E CA 1.356 57.770 56.400 0.024 0.000 0.799 31 E CB -0.512 29.197 29.700 0.015 0.000 0.752 31 E HN 0.368 nan 8.360 nan 0.000 0.449 32 L N 0.605 121.801 121.223 -0.045 0.000 1.970 32 L HA -0.200 4.140 4.340 0.000 0.000 0.212 32 L C 2.116 178.929 176.870 -0.094 0.000 1.071 32 L CA 2.457 57.232 54.840 -0.109 0.000 0.751 32 L CB -1.102 40.829 42.059 -0.213 0.000 0.889 32 L HN 0.318 nan 8.230 nan 0.000 0.432 33 H N -0.730 118.339 119.070 -0.002 0.000 2.460 33 H HA -0.199 4.357 4.556 0.000 0.000 0.297 33 H C 2.177 177.504 175.328 -0.001 0.000 1.103 33 H CA 1.761 57.808 56.048 -0.002 0.000 1.292 33 H CB -0.057 29.706 29.762 0.001 0.000 1.376 33 H HN 0.409 nan 8.280 nan 0.000 0.531 34 K N 1.213 121.680 120.400 0.112 0.000 2.097 34 K HA -0.123 4.197 4.320 0.000 0.000 0.205 34 K C 1.893 178.515 176.600 0.035 0.000 1.050 34 K CA 1.133 57.461 56.287 0.068 0.000 0.938 34 K CB 0.143 32.674 32.500 0.051 0.000 0.718 34 K HN 0.278 nan 8.250 nan 0.000 0.442 35 R N 0.155 120.664 120.500 0.015 0.000 2.062 35 R HA 0.015 4.355 4.340 0.000 0.000 0.226 35 R C 2.547 178.835 176.300 -0.021 0.000 1.125 35 R CA 0.938 57.033 56.100 -0.008 0.000 0.966 35 R CB -0.268 30.022 30.300 -0.016 0.000 0.861 35 R HN 0.156 nan 8.270 nan 0.000 0.433 36 R N 0.822 121.316 120.500 -0.010 0.000 2.119 36 R HA -0.223 4.117 4.340 0.000 0.000 0.246 36 R C 2.265 178.553 176.300 -0.021 0.000 1.146 36 R CA 1.942 58.038 56.100 -0.006 0.000 0.962 36 R CB -0.247 30.067 30.300 0.023 0.000 0.863 36 R HN 0.163 nan 8.270 nan 0.000 0.442 37 E N 0.953 121.151 120.200 -0.004 0.000 2.051 37 E HA -0.230 4.120 4.350 0.000 0.000 0.192 37 E C 1.755 178.219 176.600 -0.227 0.000 0.991 37 E CA 1.723 58.101 56.400 -0.037 0.000 0.799 37 E CB -0.102 29.624 29.700 0.043 0.000 0.748 37 E HN 0.332 nan 8.360 nan 0.000 0.449 38 E N -0.295 119.811 120.200 -0.157 0.000 2.153 38 E HA -0.176 4.174 4.350 0.000 0.000 0.194 38 E C 1.789 178.216 176.600 -0.288 0.000 0.988 38 E CA 1.397 57.669 56.400 -0.213 0.000 0.811 38 E CB -0.165 29.505 29.700 -0.051 0.000 0.746 38 E HN 0.401 nan 8.360 nan 0.000 0.466 39 S N 0.131 115.724 115.700 -0.178 0.000 2.474 39 S HA -0.059 4.411 4.470 0.000 0.000 0.235 39 S C 1.872 176.391 174.600 -0.135 0.000 0.997 39 S CA 0.396 58.529 58.200 -0.111 0.000 0.949 39 S CB -0.261 62.911 63.200 -0.046 0.000 0.766 39 S HN 0.288 nan 8.310 nan 0.000 0.517 40 L N 1.757 122.822 121.223 -0.263 0.000 2.552 40 L HA 0.097 4.437 4.340 0.000 0.000 0.227 40 L C 0.602 177.409 176.870 -0.106 0.000 1.146 40 L CA 0.532 55.282 54.840 -0.151 0.000 0.858 40 L CB -0.489 41.518 42.059 -0.086 0.000 0.969 40 L HN 0.670 nan 8.230 nan 0.000 0.451 41 H N -2.988 116.104 119.070 0.038 0.000 2.838 41 H HA 0.164 4.720 4.556 0.000 0.000 0.234 41 H C -2.629 172.708 175.328 0.014 0.000 1.397 41 H CA -1.203 54.858 56.048 0.022 0.000 1.470 41 H CB -0.053 29.719 29.762 0.016 0.000 1.974 41 H HN -0.050 nan 8.280 nan 0.000 0.625 42 P HA -0.067 nan 4.420 nan 0.000 0.239 42 P C 0.956 178.275 177.300 0.032 0.000 1.184 42 P CA 0.704 63.820 63.100 0.025 0.000 0.760 42 P CB 0.267 31.977 31.700 0.016 0.000 0.884 43 V N -5.610 114.333 119.914 0.049 0.000 3.337 43 V HA 0.676 4.796 4.120 0.000 0.000 0.307 43 V C 0.377 176.488 176.094 0.027 0.000 1.505 43 V CA -0.084 62.223 62.300 0.012 0.000 1.072 43 V CB 0.053 31.857 31.823 -0.032 0.000 0.929 43 V HN 0.238 nan 8.190 nan 0.000 0.455 44 G N 1.815 110.659 108.800 0.072 0.000 2.841 44 G HA2 0.037 3.997 3.960 0.000 0.000 0.684 44 G HA3 0.037 3.997 3.960 0.000 0.000 0.684 44 G C -0.094 174.793 174.900 -0.022 0.000 1.273 44 G CA -0.056 45.058 45.100 0.023 0.000 0.811 44 G HN 0.430 nan 8.290 nan 0.000 0.631 45 E N 0.936 121.045 120.200 -0.151 0.000 2.512 45 E HA -0.029 4.321 4.350 0.000 0.000 0.195 45 E C 0.864 177.400 176.600 -0.105 0.000 1.083 45 E CA 0.990 57.262 56.400 -0.213 0.000 0.873 45 E CB 0.165 29.621 29.700 -0.406 0.000 0.897 45 E HN 0.750 nan 8.360 nan 0.000 0.514 46 D N 0.242 120.600 120.400 -0.069 0.000 2.369 46 D HA 0.146 4.786 4.640 0.000 0.000 0.211 46 D C 1.373 177.647 176.300 -0.043 0.000 1.077 46 D CA 0.330 54.302 54.000 -0.047 0.000 0.842 46 D CB 0.281 41.060 40.800 -0.035 0.000 0.947 46 D HN 0.144 nan 8.370 nan 0.000 0.509 47 A N 1.392 124.185 122.820 -0.045 0.000 1.975 47 A HA 0.041 4.361 4.320 0.000 0.000 0.215 47 A C 2.466 179.994 177.584 -0.094 0.000 1.170 47 A CA 1.235 53.243 52.037 -0.048 0.000 0.656 47 A CB -0.727 18.256 19.000 -0.028 0.000 0.821 47 A HN 0.199 nan 8.150 nan 0.000 0.449 48 V N -1.259 118.586 119.914 -0.115 0.000 2.282 48 V HA -0.312 3.808 4.120 0.000 0.000 0.249 48 V C 2.074 177.941 176.094 -0.378 0.000 1.057 48 V CA 2.668 64.818 62.300 -0.250 0.000 1.032 48 V CB -1.111 30.621 31.823 -0.151 0.000 0.645 48 V HN 0.632 nan 8.190 nan 0.000 0.447 49 E N 0.247 120.363 120.200 -0.139 0.000 2.204 49 E HA -0.165 4.185 4.350 0.000 0.000 0.194 49 E C 2.237 178.825 176.600 -0.020 0.000 0.989 49 E CA 1.051 57.437 56.400 -0.024 0.000 0.824 49 E CB -0.065 29.649 29.700 0.025 0.000 0.756 49 E HN 0.701 nan 8.360 nan 0.000 0.477 50 K N 0.023 120.393 120.400 -0.050 0.000 2.097 50 K HA -0.108 4.212 4.320 0.000 0.000 0.205 50 K C 2.273 178.861 176.600 -0.021 0.000 1.050 50 K CA 1.414 57.688 56.287 -0.022 0.000 0.938 50 K CB -0.070 32.416 32.500 -0.023 0.000 0.718 50 K HN 0.183 nan 8.250 nan 0.000 0.442 51 V N -0.772 119.095 119.914 -0.077 0.000 2.667 51 V HA -0.129 3.991 4.120 0.000 0.000 0.252 51 V C 1.879 177.997 176.094 0.041 0.000 1.065 51 V CA 1.383 63.658 62.300 -0.042 0.000 1.083 51 V CB -0.617 31.161 31.823 -0.076 0.000 0.692 51 V HN 0.211 nan 8.190 nan 0.000 0.468 52 H N 1.539 120.625 119.070 0.026 0.000 2.423 52 H HA 0.234 4.790 4.556 0.000 0.000 0.297 52 H C 2.447 177.786 175.328 0.018 0.000 1.075 52 H CA 1.576 57.639 56.048 0.024 0.000 1.342 52 H CB -0.588 29.188 29.762 0.024 0.000 1.395 52 H HN 0.582 nan 8.280 nan 0.000 0.530 53 A N 1.115 124.017 122.820 0.138 0.000 2.121 53 A HA -0.090 4.230 4.320 0.000 0.000 0.218 53 A C 2.068 179.686 177.584 0.057 0.000 1.154 53 A CA 0.909 52.992 52.037 0.078 0.000 0.679 53 A CB -0.073 18.958 19.000 0.053 0.000 0.795 53 A HN 0.167 nan 8.150 nan 0.000 0.458 54 K N -1.338 119.098 120.400 0.060 0.000 2.400 54 K HA 0.119 4.439 4.320 0.000 0.000 0.194 54 K C 1.089 177.715 176.600 0.044 0.000 1.033 54 K CA 0.769 57.083 56.287 0.044 0.000 1.021 54 K CB 0.012 32.537 32.500 0.041 0.000 0.808 54 K HN 0.750 nan 8.250 nan 0.000 0.505 55 G N 2.126 110.963 108.800 0.061 0.000 2.132 55 G HA2 -0.257 3.703 3.960 0.000 0.000 0.228 55 G HA3 -0.257 3.703 3.960 0.000 0.000 0.228 55 G C -0.086 174.846 174.900 0.054 0.000 1.000 55 G CA 0.281 45.408 45.100 0.045 0.000 0.693 55 G HN 0.309 nan 8.290 nan 0.000 0.515 56 K N -1.158 119.298 120.400 0.093 0.000 2.307 56 K HA 0.918 5.238 4.320 0.000 0.000 0.239 56 K C 0.137 176.852 176.600 0.191 0.000 1.083 56 K CA -0.962 55.384 56.287 0.099 0.000 0.913 56 K CB 1.431 33.975 32.500 0.072 0.000 1.322 56 K HN 0.102 nan 8.250 nan 0.000 0.514 57 L N -0.113 121.214 121.223 0.173 0.000 2.303 57 L HA 0.406 4.746 4.340 0.000 0.000 0.256 57 L C -0.226 176.727 176.870 0.139 0.000 1.034 57 L CA -1.040 53.945 54.840 0.241 0.000 0.832 57 L CB 2.293 44.494 42.059 0.236 0.000 1.403 57 L HN 0.543 nan 8.230 nan 0.000 0.419 58 T N 0.398 115.027 114.554 0.125 0.000 2.918 58 T HA 0.159 4.509 4.350 0.000 0.000 0.302 58 T C 1.099 175.823 174.700 0.041 0.000 1.045 58 T CA 0.407 62.537 62.100 0.051 0.000 1.114 58 T CB 1.622 70.516 68.868 0.044 0.000 0.965 58 T HN 0.719 nan 8.240 nan 0.000 0.540 59 A N 3.693 126.525 122.820 0.019 0.000 1.927 59 A HA -0.179 4.141 4.320 0.000 0.000 0.220 59 A C 2.291 179.813 177.584 -0.105 0.000 1.185 59 A CA 1.776 53.806 52.037 -0.013 0.000 0.639 59 A CB -0.438 18.564 19.000 0.003 0.000 0.820 59 A HN 0.835 nan 8.150 nan 0.000 0.451 60 R N -0.692 119.742 120.500 -0.109 0.000 2.093 60 R HA -0.064 4.276 4.340 0.000 0.000 0.224 60 R C 2.068 178.181 176.300 -0.312 0.000 1.101 60 R CA 1.209 57.140 56.100 -0.281 0.000 0.979 60 R CB -0.179 30.071 30.300 -0.084 0.000 0.877 60 R HN 0.705 nan 8.270 nan 0.000 0.441 61 E N -0.107 120.084 120.200 -0.014 0.000 2.118 61 E HA -0.217 4.133 4.350 0.000 0.000 0.195 61 E C 2.071 178.645 176.600 -0.043 0.000 0.992 61 E CA 1.177 57.634 56.400 0.096 0.000 0.804 61 E CB 0.047 29.845 29.700 0.163 0.000 0.741 61 E HN 0.297 nan 8.360 nan 0.000 0.458 62 R N 0.410 120.869 120.500 -0.069 0.000 2.073 62 R HA -0.105 4.235 4.340 0.000 0.000 0.234 62 R C 2.441 178.475 176.300 -0.443 0.000 1.134 62 R CA 1.149 57.185 56.100 -0.106 0.000 0.952 62 R CB -0.321 30.059 30.300 0.134 0.000 0.850 62 R HN 0.190 nan 8.270 nan 0.000 0.433 63 I N -0.142 120.133 120.570 -0.492 0.000 2.163 63 I HA -0.310 3.860 4.170 0.000 0.000 0.243 63 I C 1.880 177.632 176.117 -0.608 0.000 1.085 63 I CA 1.451 62.348 61.300 -0.671 0.000 1.347 63 I CB -0.329 37.041 38.000 -1.050 0.000 1.044 63 I HN 0.137 nan 8.210 nan 0.000 0.408 64 Y N 0.736 120.824 120.300 -0.354 0.000 2.224 64 Y HA -0.156 4.394 4.550 0.000 0.000 0.289 64 Y C 2.630 178.375 175.900 -0.258 0.000 1.146 64 Y CA 0.849 58.799 58.100 -0.250 0.000 1.182 64 Y CB -1.167 37.201 38.460 -0.154 0.000 0.983 64 Y HN 0.117 nan 8.280 nan 0.000 0.524 65 A N -0.387 122.299 122.820 -0.224 0.000 1.930 65 A HA -0.131 4.189 4.320 0.000 0.000 0.217 65 A C 2.218 179.519 177.584 -0.472 0.000 1.175 65 A CA 1.638 53.475 52.037 -0.333 0.000 0.627 65 A CB -0.929 17.807 19.000 -0.440 0.000 0.815 65 A HN 0.402 nan 8.150 nan 0.000 0.443 66 L N -0.455 120.350 121.223 -0.697 0.000 2.068 66 L HA 0.238 4.578 4.340 0.000 0.000 0.204 66 L C 0.937 177.677 176.870 -0.217 0.000 1.076 66 L CA 0.955 55.502 54.840 -0.488 0.000 0.753 66 L CB -0.389 41.368 42.059 -0.504 0.000 0.910 66 L HN 0.325 nan 8.230 nan 0.000 0.439 67 L N 0.424 121.533 121.223 -0.189 0.000 2.472 67 L HA 0.100 4.440 4.340 0.000 0.000 0.260 67 L C 0.222 177.071 176.870 -0.034 0.000 1.209 67 L CA -0.692 54.102 54.840 -0.076 0.000 0.817 67 L CB -0.086 41.953 42.059 -0.033 0.000 1.106 67 L HN 0.144 nan 8.230 nan 0.000 0.479 68 D N 0.620 121.019 120.400 -0.002 0.000 2.362 68 D HA -0.014 4.626 4.640 0.000 0.000 0.238 68 D C 0.072 176.386 176.300 0.023 0.000 1.212 68 D CA 0.019 54.022 54.000 0.004 0.000 0.902 68 D CB 0.486 41.292 40.800 0.010 0.000 1.180 68 D HN 0.437 nan 8.370 nan 0.000 0.445 69 E N 0.400 120.608 120.200 0.012 0.000 2.415 69 E HA -0.096 4.254 4.350 0.000 0.000 0.263 69 E C -0.217 176.398 176.600 0.025 0.000 0.995 69 E CA -0.040 56.368 56.400 0.013 0.000 0.915 69 E CB 0.242 29.939 29.700 -0.006 0.000 0.951 69 E HN 0.249 nan 8.360 nan 0.000 0.449 70 D N 2.115 122.534 120.400 0.032 0.000 2.955 70 D HA -0.219 4.421 4.640 0.000 0.000 0.226 70 D C 0.750 177.087 176.300 0.062 0.000 1.178 70 D CA 1.328 55.351 54.000 0.038 0.000 0.808 70 D CB -1.411 39.390 40.800 0.002 0.000 1.099 70 D HN 0.457 nan 8.370 nan 0.000 0.421 71 S N -1.254 114.504 115.700 0.096 0.000 2.524 71 S HA 0.042 4.512 4.470 0.000 0.000 0.216 71 S C 0.557 175.218 174.600 0.102 0.000 0.987 71 S CA -0.550 57.699 58.200 0.080 0.000 0.909 71 S CB 0.153 63.398 63.200 0.075 0.000 0.781 71 S HN 0.196 nan 8.310 nan 0.000 0.521 72 F N 3.038 122.985 119.950 -0.006 0.000 2.518 72 F HA 0.480 5.007 4.527 0.000 0.000 0.359 72 F C -0.439 175.277 175.800 -0.141 0.000 1.118 72 F CA -0.785 57.183 58.000 -0.053 0.000 1.287 72 F CB 0.945 39.976 39.000 0.051 0.000 1.132 72 F HN -0.053 nan 8.300 nan 0.000 0.587 73 V N 6.190 125.381 119.914 -1.206 0.000 2.462 73 V HA 0.196 4.316 4.120 0.000 0.000 0.288 73 V C -0.125 175.160 176.094 -1.348 0.000 1.020 73 V CA -1.045 60.578 62.300 -1.128 0.000 0.857 73 V CB 1.189 32.288 31.823 -1.206 0.000 1.013 73 V HN 0.724 nan 8.190 nan 0.000 0.431 74 E N 2.651 122.242 120.200 -1.014 0.000 2.408 74 E HA 0.414 4.764 4.350 0.000 0.000 0.259 74 E C -1.261 175.173 176.600 -0.277 0.000 1.110 74 E CA -0.384 55.663 56.400 -0.588 0.000 0.929 74 E CB 1.210 30.782 29.700 -0.213 0.000 0.971 74 E HN 0.304 nan 8.360 nan 0.000 0.438 75 L N 2.535 123.691 121.223 -0.110 0.000 2.401 75 L HA 0.171 4.511 4.340 0.000 0.000 0.266 75 L C -0.929 175.941 176.870 -0.000 0.000 0.991 75 L CA -0.142 54.684 54.840 -0.023 0.000 0.818 75 L CB 1.806 43.888 42.059 0.038 0.000 1.321 75 L HN 0.533 nan 8.230 nan 0.000 0.413 76 D N 2.298 122.697 120.400 -0.002 0.000 2.692 76 D HA -0.247 4.393 4.640 0.000 0.000 0.233 76 D C 1.240 177.543 176.300 0.006 0.000 1.172 76 D CA 1.011 55.012 54.000 0.002 0.000 0.636 76 D CB -0.428 40.376 40.800 0.006 0.000 1.028 76 D HN 0.722 nan 8.370 nan 0.000 0.419 77 A N -0.395 122.425 122.820 -0.001 0.000 1.902 77 A HA -0.100 4.220 4.320 0.000 0.000 0.217 77 A C 1.931 179.519 177.584 0.005 0.000 1.181 77 A CA 0.879 52.921 52.037 0.008 0.000 0.623 77 A CB 0.008 19.008 19.000 0.000 0.000 0.818 77 A HN 0.254 nan 8.150 nan 0.000 0.443 78 L N -0.089 121.132 121.223 -0.004 0.000 2.653 78 L HA 0.359 4.699 4.340 0.000 0.000 0.232 78 L C 1.118 177.988 176.870 -0.001 0.000 1.169 78 L CA 0.045 54.881 54.840 -0.006 0.000 0.951 78 L CB -1.087 40.962 42.059 -0.016 0.000 1.181 78 L HN 0.320 nan 8.230 nan 0.000 0.460 79 A N 0.222 123.047 122.820 0.008 0.000 2.425 79 A HA 0.487 4.807 4.320 0.000 0.000 0.242 79 A C 0.348 177.946 177.584 0.024 0.000 1.077 79 A CA 0.065 52.111 52.037 0.014 0.000 0.781 79 A CB 0.229 19.242 19.000 0.021 0.000 1.020 79 A HN 0.321 nan 8.150 nan 0.000 0.494 80 K N 0.229 120.637 120.400 0.014 0.000 2.469 80 K HA 0.404 4.724 4.320 0.000 0.000 0.254 80 K C -0.982 175.619 176.600 0.001 0.000 0.939 80 K CA -0.773 55.511 56.287 -0.005 0.000 0.812 80 K CB 1.645 34.105 32.500 -0.066 0.000 1.301 80 K HN 0.961 nan 8.250 nan 0.000 0.433 81 H N 0.367 119.470 119.070 0.054 0.000 2.790 81 H HA 0.131 4.687 4.556 0.000 0.000 0.358 81 H C -0.034 175.295 175.328 0.002 0.000 1.103 81 H CA -0.266 55.791 56.048 0.016 0.000 1.426 81 H CB 0.730 30.483 29.762 -0.014 0.000 1.424 81 H HN 0.574 nan 8.280 nan 0.000 0.599 82 R N 2.284 122.896 120.500 0.187 0.000 2.694 82 R HA 0.277 4.617 4.340 0.000 0.000 0.334 82 R C -0.294 176.104 176.300 0.163 0.000 1.143 82 R CA -0.446 55.719 56.100 0.109 0.000 1.073 82 R CB 0.032 30.355 30.300 0.039 0.000 1.366 82 R HN 0.411 nan 8.270 nan 0.000 0.577 83 S N 0.734 116.658 115.700 0.374 0.000 2.687 83 S HA 0.332 4.802 4.470 0.000 0.000 0.283 83 S C 0.499 175.178 174.600 0.132 0.000 1.170 83 S CA -0.135 58.133 58.200 0.115 0.000 1.008 83 S CB 1.405 64.529 63.200 -0.126 0.000 1.026 83 S HN 0.464 nan 8.310 nan 0.000 0.541 84 T N -0.177 114.386 114.554 0.015 0.000 3.714 84 T HA 0.347 4.697 4.350 0.000 0.000 0.309 84 T C -0.591 174.059 174.700 -0.083 0.000 0.958 84 T CA -0.636 61.466 62.100 0.002 0.000 1.010 84 T CB -1.229 67.635 68.868 -0.008 0.000 1.202 84 T HN 0.565 nan 8.240 nan 0.000 0.476 85 N N 1.297 119.919 118.700 -0.130 0.000 2.473 85 N HA 0.537 5.277 4.740 0.000 0.000 0.291 85 N C -0.931 174.479 175.510 -0.167 0.000 1.083 85 N CA -1.177 51.684 53.050 -0.316 0.000 0.951 85 N CB 0.487 38.764 38.487 -0.351 0.000 1.164 85 N HN 0.112 nan 8.380 nan 0.000 0.480 86 F N 0.939 120.877 119.950 -0.021 0.000 2.907 86 F HA -0.293 4.234 4.527 0.000 0.000 0.244 86 F C 0.020 175.823 175.800 0.005 0.000 1.007 86 F CA 0.100 58.093 58.000 -0.011 0.000 0.872 86 F CB -2.488 36.498 39.000 -0.023 0.000 0.767 86 F HN 0.703 nan 8.300 nan 0.000 0.837 87 N N -1.854 116.917 118.700 0.119 0.000 2.725 87 N HA -0.234 4.506 4.740 0.000 0.000 0.251 87 N C 0.631 176.220 175.510 0.130 0.000 1.031 87 N CA 0.409 53.525 53.050 0.109 0.000 0.720 87 N CB -0.814 37.741 38.487 0.114 0.000 0.930 87 N HN 0.431 nan 8.380 nan 0.000 0.543 88 L N -0.721 120.570 121.223 0.114 0.000 2.590 88 L HA 0.330 4.670 4.340 0.000 0.000 0.227 88 L C 2.033 179.061 176.870 0.263 0.000 1.099 88 L CA 1.116 56.032 54.840 0.126 0.000 0.872 88 L CB 0.200 42.230 42.059 -0.049 0.000 1.088 88 L HN 0.355 nan 8.230 nan 0.000 0.479 89 G N -1.155 107.762 108.800 0.195 0.000 2.650 89 G HA2 -0.106 3.854 3.960 0.000 0.000 0.214 89 G HA3 -0.106 3.854 3.960 0.000 0.000 0.214 89 G C 1.226 176.202 174.900 0.128 0.000 1.136 89 G CA 0.205 45.409 45.100 0.173 0.000 0.789 89 G HN 0.370 nan 8.290 nan 0.000 0.536 90 E N 0.640 120.922 120.200 0.136 0.000 2.047 90 E HA -0.080 4.270 4.350 0.000 0.000 0.191 90 E C 1.136 177.810 176.600 0.123 0.000 0.987 90 E CA 0.753 57.217 56.400 0.107 0.000 0.799 90 E CB -0.088 29.673 29.700 0.101 0.000 0.752 90 E HN 0.374 nan 8.360 nan 0.000 0.449 91 K N 0.985 121.507 120.400 0.202 0.000 2.293 91 K HA 0.267 4.587 4.320 0.000 0.000 0.267 91 K C -0.612 176.184 176.600 0.327 0.000 1.010 91 K CA -0.251 56.166 56.287 0.216 0.000 0.875 91 K CB 0.669 33.294 32.500 0.208 0.000 1.106 91 K HN -0.165 nan 8.250 nan 0.000 0.450 92 R N 4.914 125.505 120.500 0.152 0.000 2.629 92 R HA 0.231 4.571 4.340 0.000 0.000 0.277 92 R C -2.406 173.938 176.300 0.073 0.000 1.637 92 R CA -1.575 54.556 56.100 0.052 0.000 1.663 92 R CB 1.089 31.270 30.300 -0.199 0.000 1.228 92 R HN 0.516 nan 8.270 nan 0.000 0.632 93 P HA -0.013 nan 4.420 nan 0.000 0.267 93 P C -0.126 177.226 177.300 0.086 0.000 1.205 93 P CA -0.022 63.129 63.100 0.085 0.000 0.765 93 P CB 1.001 32.729 31.700 0.047 0.000 0.828 94 L N 2.814 124.063 121.223 0.042 0.000 2.534 94 L HA 0.184 4.524 4.340 0.000 0.000 0.271 94 L C 1.770 178.667 176.870 0.045 0.000 1.178 94 L CA 1.166 56.024 54.840 0.031 0.000 0.907 94 L CB -0.686 41.374 42.059 0.002 0.000 1.164 94 L HN 0.875 nan 8.230 nan 0.000 0.482 95 G N 1.859 110.692 108.800 0.056 0.000 2.218 95 G HA2 -0.271 3.689 3.960 0.000 0.000 0.216 95 G HA3 -0.271 3.689 3.960 0.000 0.000 0.216 95 G C 0.472 175.430 174.900 0.096 0.000 0.994 95 G CA 0.070 45.204 45.100 0.057 0.000 0.637 95 G HN 0.752 nan 8.290 nan 0.000 0.505 96 D N -0.901 119.596 120.400 0.161 0.000 2.882 96 D HA 0.040 4.680 4.640 0.000 0.000 0.229 96 D C 1.765 178.285 176.300 0.367 0.000 1.167 96 D CA 3.263 57.430 54.000 0.280 0.000 0.759 96 D CB -1.319 39.631 40.800 0.251 0.000 1.088 96 D HN 2.236 nan 8.370 nan 0.000 0.425 97 G N -2.130 106.827 108.800 0.261 0.000 2.132 97 G HA2 -0.033 3.927 3.960 0.000 0.000 0.228 97 G HA3 -0.033 3.927 3.960 0.000 0.000 0.228 97 G C 0.109 175.079 174.900 0.116 0.000 1.000 97 G CA 0.505 45.777 45.100 0.286 0.000 0.693 97 G HN 1.365 nan 8.290 nan 0.000 0.515 98 V N -0.573 119.303 119.914 -0.065 0.000 2.823 98 V HA 0.591 4.712 4.120 0.000 0.000 0.296 98 V C -0.612 175.434 176.094 -0.081 0.000 1.250 98 V CA -0.494 61.677 62.300 -0.214 0.000 0.939 98 V CB 2.185 33.562 31.823 -0.744 0.000 1.062 98 V HN 0.687 nan 8.190 nan 0.000 0.433 99 V N 6.303 126.207 119.914 -0.016 0.000 2.407 99 V HA 0.783 4.903 4.120 0.000 0.000 0.278 99 V C 0.487 176.646 176.094 0.107 0.000 1.037 99 V CA 0.351 62.676 62.300 0.040 0.000 0.900 99 V CB 1.659 33.478 31.823 -0.007 0.000 0.983 99 V HN 1.090 nan 8.190 nan 0.000 0.459 100 T N 1.221 115.878 114.554 0.172 0.000 2.901 100 T HA 0.986 5.336 4.350 0.000 0.000 0.293 100 T C -0.100 174.769 174.700 0.282 0.000 1.084 100 T CA -0.137 62.099 62.100 0.227 0.000 1.008 100 T CB 2.256 71.208 68.868 0.139 0.000 1.170 100 T HN 1.490 nan 8.240 nan 0.000 0.509 101 G N 0.138 109.108 108.800 0.283 0.000 2.352 101 G HA2 0.436 4.396 3.960 0.000 0.000 0.283 101 G HA3 0.436 4.396 3.960 0.000 0.000 0.283 101 G C -1.895 173.178 174.900 0.289 0.000 1.308 101 G CA -0.292 44.887 45.100 0.131 0.000 0.892 101 G HN 1.414 nan 8.290 nan 0.000 0.504 102 Y N -1.763 118.549 120.300 0.020 0.000 2.698 102 Y HA 0.963 5.513 4.550 0.000 0.000 0.332 102 Y C 0.626 176.603 175.900 0.129 0.000 1.119 102 Y CA -0.707 57.447 58.100 0.089 0.000 1.109 102 Y CB 1.273 39.748 38.460 0.026 0.000 1.308 102 Y HN 1.914 nan 8.280 nan 0.000 0.499 103 G N -0.466 108.496 108.800 0.270 0.000 2.364 103 G HA2 0.490 4.450 3.960 0.000 0.000 0.286 103 G HA3 0.490 4.450 3.960 0.000 0.000 0.286 103 G C -1.375 173.618 174.900 0.155 0.000 1.241 103 G CA -0.328 44.878 45.100 0.177 0.000 0.887 103 G HN 1.250 nan 8.290 nan 0.000 0.484 104 T N -2.075 112.539 114.554 0.100 0.000 2.901 104 T HA 0.789 5.139 4.350 0.000 0.000 0.293 104 T C -0.973 173.746 174.700 0.031 0.000 1.084 104 T CA -0.709 61.429 62.100 0.063 0.000 1.008 104 T CB 2.035 70.932 68.868 0.048 0.000 1.170 104 T HN 0.775 nan 8.240 nan 0.000 0.509 105 I N 1.530 122.106 120.570 0.011 0.000 2.500 105 I HA 0.313 4.483 4.170 0.000 0.000 0.286 105 I C -0.717 175.389 176.117 -0.019 0.000 1.063 105 I CA -0.661 60.633 61.300 -0.010 0.000 1.062 105 I CB 1.761 39.750 38.000 -0.017 0.000 1.223 105 I HN 0.792 nan 8.210 nan 0.000 0.435 106 D N 5.099 125.485 120.400 -0.023 0.000 2.772 106 D HA -0.181 4.459 4.640 0.000 0.000 0.233 106 D C 1.118 177.398 176.300 -0.034 0.000 1.143 106 D CA 1.680 55.660 54.000 -0.034 0.000 0.700 106 D CB -0.735 40.038 40.800 -0.046 0.000 1.076 106 D HN 1.186 nan 8.370 nan 0.000 0.430 107 G N -0.291 108.497 108.800 -0.019 0.000 2.162 107 G HA2 -0.374 3.586 3.960 0.000 0.000 0.260 107 G HA3 -0.374 3.586 3.960 0.000 0.000 0.260 107 G C 0.273 175.168 174.900 -0.009 0.000 0.976 107 G CA 0.640 45.731 45.100 -0.015 0.000 0.655 107 G HN 0.513 nan 8.290 nan 0.000 0.533 108 R N 0.667 121.163 120.500 -0.007 0.000 2.445 108 R HA 0.446 4.786 4.340 0.000 0.000 0.308 108 R C -0.698 175.612 176.300 0.017 0.000 0.961 108 R CA -0.993 55.106 56.100 -0.003 0.000 0.862 108 R CB 1.227 31.517 30.300 -0.017 0.000 1.144 108 R HN 0.121 nan 8.270 nan 0.000 0.447 109 D N 2.287 122.703 120.400 0.026 0.000 2.488 109 D HA 0.148 4.788 4.640 0.000 0.000 0.238 109 D C -0.114 176.215 176.300 0.047 0.000 1.138 109 D CA 0.655 54.685 54.000 0.050 0.000 0.873 109 D CB 1.233 42.053 40.800 0.034 0.000 1.183 109 D HN 0.264 nan 8.370 nan 0.000 0.458 110 V N -0.487 119.476 119.914 0.083 0.000 3.120 110 V HA 0.504 4.624 4.120 0.000 0.000 0.303 110 V C -0.730 175.442 176.094 0.131 0.000 1.238 110 V CA -0.993 61.352 62.300 0.075 0.000 1.008 110 V CB 1.649 33.499 31.823 0.046 0.000 1.064 110 V HN 0.599 nan 8.190 nan 0.000 0.434 111 C N 3.603 122.972 119.300 0.114 0.000 2.376 111 C HA 0.910 5.370 4.460 0.000 0.000 0.335 111 C C -0.074 174.994 174.990 0.130 0.000 1.229 111 C CA -0.351 58.764 59.018 0.162 0.000 1.867 111 C CB 0.460 28.280 27.740 0.135 0.000 2.319 111 C HN 1.037 nan 8.230 nan 0.000 0.515 112 I N 2.348 123.019 120.570 0.168 0.000 2.918 112 I HA 0.729 4.899 4.170 0.000 0.000 0.301 112 I C -1.616 174.592 176.117 0.152 0.000 1.312 112 I CA -0.724 60.616 61.300 0.067 0.000 1.007 112 I CB 1.730 39.719 38.000 -0.018 0.000 1.281 112 I HN 0.802 nan 8.210 nan 0.000 0.440 113 F N 3.685 123.647 119.950 0.021 0.000 2.578 113 F HA 0.786 5.313 4.527 0.000 0.000 0.311 113 F C -1.227 174.542 175.800 -0.052 0.000 1.094 113 F CA -0.793 57.199 58.000 -0.013 0.000 0.923 113 F CB 1.849 40.838 39.000 -0.018 0.000 1.230 113 F HN 0.282 nan 8.300 nan 0.000 0.450 114 S N 2.455 118.239 115.700 0.139 0.000 2.756 114 S HA 0.325 4.795 4.470 0.000 0.000 0.303 114 S C -1.161 173.494 174.600 0.091 0.000 1.135 114 S CA -0.604 57.617 58.200 0.036 0.000 1.066 114 S CB 0.939 64.080 63.200 -0.099 0.000 1.008 114 S HN 0.771 nan 8.310 nan 0.000 0.482 115 Q N 2.651 122.543 119.800 0.153 0.000 2.297 115 Q HA 0.172 4.512 4.340 0.000 0.000 0.267 115 Q C -0.663 175.418 176.000 0.136 0.000 1.006 115 Q CA -0.163 55.728 55.803 0.146 0.000 0.896 115 Q CB 0.631 29.533 28.738 0.273 0.000 1.186 115 Q HN 0.506 nan 8.270 nan 0.000 0.392 116 D N 1.492 121.977 120.400 0.142 0.000 2.380 116 D HA 0.208 4.848 4.640 0.000 0.000 0.230 116 D C 0.131 176.528 176.300 0.161 0.000 1.154 116 D CA -0.195 53.878 54.000 0.122 0.000 0.859 116 D CB 1.320 42.177 40.800 0.094 0.000 1.045 116 D HN 0.651 nan 8.370 nan 0.000 0.495 117 A N 2.822 125.719 122.820 0.130 0.000 2.168 117 A HA -0.081 4.239 4.320 0.000 0.000 0.215 117 A C 1.772 179.407 177.584 0.085 0.000 1.152 117 A CA 1.224 53.338 52.037 0.128 0.000 0.716 117 A CB -0.364 18.700 19.000 0.106 0.000 0.794 117 A HN 0.597 nan 8.150 nan 0.000 0.465 118 T N -3.093 111.495 114.554 0.057 0.000 3.169 118 T HA 0.305 4.655 4.350 0.000 0.000 0.250 118 T C 0.063 174.748 174.700 -0.024 0.000 1.111 118 T CA 0.247 62.356 62.100 0.014 0.000 1.010 118 T CB -0.356 68.513 68.868 0.001 0.000 0.984 118 T HN 0.014 nan 8.240 nan 0.000 0.537 119 V N 2.184 122.103 119.914 0.009 0.000 2.349 119 V HA 0.440 4.560 4.120 0.000 0.000 0.284 119 V C -0.435 175.681 176.094 0.037 0.000 1.014 119 V CA -1.124 61.126 62.300 -0.083 0.000 0.826 119 V CB -0.025 31.823 31.823 0.042 0.000 1.009 119 V HN 0.434 nan 8.190 nan 0.000 0.431 120 F N 3.099 123.084 119.950 0.059 0.000 3.067 120 F HA -0.222 4.305 4.527 0.000 0.000 0.279 120 F C 1.699 177.511 175.800 0.019 0.000 0.945 120 F CA 1.161 59.176 58.000 0.024 0.000 0.948 120 F CB -1.657 37.340 39.000 -0.003 0.000 0.898 120 F HN 0.951 nan 8.300 nan 0.000 0.746 121 G N -0.878 108.004 108.800 0.137 0.000 2.269 121 G HA2 0.098 4.058 3.960 0.000 0.000 0.277 121 G HA3 0.098 4.058 3.960 0.000 0.000 0.277 121 G C 1.649 176.637 174.900 0.147 0.000 1.008 121 G CA 1.217 46.387 45.100 0.116 0.000 0.774 121 G HN 2.252 nan 8.290 nan 0.000 0.511 122 G N -1.999 106.922 108.800 0.201 0.000 2.184 122 G HA2 -0.131 3.829 3.960 0.000 0.000 0.264 122 G HA3 -0.131 3.829 3.960 0.000 0.000 0.264 122 G C 0.658 175.666 174.900 0.179 0.000 0.975 122 G CA 0.859 46.134 45.100 0.292 0.000 0.642 122 G HN 1.780 nan 8.290 nan 0.000 0.536 123 S N -0.042 115.657 115.700 -0.001 0.000 2.549 123 S HA 0.391 4.861 4.470 0.000 0.000 0.286 123 S C 0.566 174.769 174.600 -0.662 0.000 1.314 123 S CA -0.084 57.953 58.200 -0.270 0.000 1.062 123 S CB 1.442 64.549 63.200 -0.155 0.000 0.865 123 S HN 0.769 nan 8.310 nan 0.000 0.498 124 L N 3.415 124.086 121.223 -0.921 0.000 2.349 124 L HA 0.631 4.971 4.340 0.000 0.000 0.275 124 L C 0.611 177.023 176.870 -0.764 0.000 1.115 124 L CA 0.016 54.075 54.840 -1.302 0.000 0.820 124 L CB 0.207 41.653 42.059 -1.022 0.000 1.135 124 L HN 0.709 nan 8.230 nan 0.000 0.445 125 G N 2.465 110.908 108.800 -0.594 0.000 3.175 125 G HA2 0.201 4.161 3.960 0.000 0.000 0.255 125 G HA3 0.201 4.161 3.960 0.000 0.000 0.255 125 G C 0.033 174.813 174.900 -0.200 0.000 1.352 125 G CA -0.050 44.849 45.100 -0.336 0.000 1.037 125 G HN 0.751 nan 8.290 nan 0.000 0.556 126 E N -1.250 118.867 120.200 -0.137 0.000 2.006 126 E HA -0.134 4.216 4.350 0.000 0.000 0.192 126 E C 2.540 179.126 176.600 -0.023 0.000 0.993 126 E CA 1.465 57.815 56.400 -0.085 0.000 0.808 126 E CB -0.166 29.496 29.700 -0.063 0.000 0.764 126 E HN 0.152 nan 8.360 nan 0.000 0.449 127 V N 0.737 120.667 119.914 0.026 0.000 2.343 127 V HA -0.262 3.858 4.120 0.000 0.000 0.247 127 V C 2.207 178.356 176.094 0.091 0.000 1.051 127 V CA 2.061 64.395 62.300 0.057 0.000 1.036 127 V CB -0.789 31.087 31.823 0.089 0.000 0.654 127 V HN 0.428 nan 8.190 nan 0.000 0.451 128 Y N 2.031 122.305 120.300 -0.043 0.000 2.128 128 Y HA -0.181 4.369 4.550 0.000 0.000 0.284 128 Y C 2.338 178.171 175.900 -0.111 0.000 1.154 128 Y CA 1.749 59.820 58.100 -0.049 0.000 1.149 128 Y CB -0.971 37.462 38.460 -0.044 0.000 0.976 128 Y HN 0.181 nan 8.280 nan 0.000 0.505 129 G N -0.320 108.588 108.800 0.181 0.000 2.421 129 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 129 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 129 G C 1.508 176.377 174.900 -0.052 0.000 1.171 129 G CA 0.926 46.031 45.100 0.009 0.000 0.775 129 G HN 0.524 nan 8.290 nan 0.000 0.543 130 E N 0.539 120.718 120.200 -0.035 0.000 2.070 130 E HA -0.168 4.182 4.350 0.000 0.000 0.197 130 E C 2.563 179.137 176.600 -0.043 0.000 1.004 130 E CA 1.095 57.473 56.400 -0.037 0.000 0.805 130 E CB -0.100 29.588 29.700 -0.020 0.000 0.744 130 E HN 0.359 nan 8.360 nan 0.000 0.451 131 K N 0.435 120.807 120.400 -0.047 0.000 2.063 131 K HA -0.154 4.166 4.320 0.000 0.000 0.208 131 K C 2.229 178.775 176.600 -0.090 0.000 1.048 131 K CA 1.098 57.351 56.287 -0.057 0.000 0.928 131 K CB -0.248 32.206 32.500 -0.075 0.000 0.713 131 K HN 0.223 nan 8.250 nan 0.000 0.442 132 I N 0.819 121.281 120.570 -0.181 0.000 2.252 132 I HA -0.226 3.944 4.170 0.000 0.000 0.245 132 I C 2.312 178.340 176.117 -0.148 0.000 1.102 132 I CA 0.806 61.928 61.300 -0.297 0.000 1.385 132 I CB -0.235 37.447 38.000 -0.530 0.000 1.064 132 I HN -0.122 nan 8.210 nan 0.000 0.414 133 V N 1.159 121.012 119.914 -0.102 0.000 2.490 133 V HA -0.298 3.822 4.120 0.000 0.000 0.250 133 V C 2.511 178.595 176.094 -0.016 0.000 1.061 133 V CA 1.854 64.124 62.300 -0.051 0.000 1.064 133 V CB -0.704 31.091 31.823 -0.048 0.000 0.670 133 V HN 0.433 nan 8.190 nan 0.000 0.461 134 K N 0.126 120.517 120.400 -0.014 0.000 2.097 134 K HA -0.130 4.190 4.320 0.000 0.000 0.205 134 K C 1.966 178.585 176.600 0.033 0.000 1.050 134 K CA 1.494 57.786 56.287 0.008 0.000 0.938 134 K CB -0.071 32.434 32.500 0.009 0.000 0.718 134 K HN 0.372 nan 8.250 nan 0.000 0.442 135 V N 1.647 121.592 119.914 0.051 0.000 2.626 135 V HA -0.205 3.915 4.120 0.000 0.000 0.252 135 V C 2.233 178.391 176.094 0.107 0.000 1.067 135 V CA 1.552 63.916 62.300 0.107 0.000 1.081 135 V CB -0.476 31.456 31.823 0.181 0.000 0.686 135 V HN 0.389 nan 8.190 nan 0.000 0.468 136 Q N 0.085 119.934 119.800 0.083 0.000 2.016 136 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 136 Q C 2.289 178.325 176.000 0.060 0.000 0.978 136 Q CA 1.669 57.524 55.803 0.086 0.000 0.833 136 Q CB -0.184 28.595 28.738 0.067 0.000 0.895 136 Q HN 0.683 nan 8.270 nan 0.000 0.427 137 E N 0.466 120.689 120.200 0.038 0.000 2.265 137 E HA -0.181 4.169 4.350 0.000 0.000 0.196 137 E C 1.805 178.415 176.600 0.016 0.000 0.996 137 E CA 0.529 56.944 56.400 0.025 0.000 0.832 137 E CB 0.023 29.732 29.700 0.014 0.000 0.756 137 E HN 0.137 nan 8.360 nan 0.000 0.491 138 L N 0.350 121.584 121.223 0.018 0.000 2.131 138 L HA 0.061 4.401 4.340 0.000 0.000 0.206 138 L C 2.072 178.938 176.870 -0.007 0.000 1.087 138 L CA 1.525 56.360 54.840 -0.008 0.000 0.767 138 L CB -0.419 41.632 42.059 -0.013 0.000 0.917 138 L HN -0.003 nan 8.230 nan 0.000 0.441 139 A N -0.049 122.789 122.820 0.030 0.000 1.898 139 A HA -0.112 4.208 4.320 0.000 0.000 0.216 139 A C 2.214 179.818 177.584 0.034 0.000 1.181 139 A CA 1.885 53.945 52.037 0.038 0.000 0.620 139 A CB -0.739 18.304 19.000 0.072 0.000 0.819 139 A HN 0.477 nan 8.150 nan 0.000 0.442 140 I N -0.597 119.997 120.570 0.040 0.000 2.202 140 I HA -0.250 3.920 4.170 0.000 0.000 0.242 140 I C 2.514 178.644 176.117 0.022 0.000 1.091 140 I CA 1.862 63.185 61.300 0.039 0.000 1.368 140 I CB -0.400 37.625 38.000 0.042 0.000 1.058 140 I HN 0.347 nan 8.210 nan 0.000 0.410 141 K N 1.143 121.547 120.400 0.008 0.000 1.991 141 K HA -0.218 4.102 4.320 0.000 0.000 0.212 141 K C 2.119 178.711 176.600 -0.013 0.000 1.049 141 K CA 2.445 58.729 56.287 -0.005 0.000 0.932 141 K CB -0.212 32.278 32.500 -0.017 0.000 0.717 141 K HN 0.446 nan 8.250 nan 0.000 0.441 142 T N -2.759 111.779 114.554 -0.027 0.000 3.085 142 T HA 0.099 4.449 4.350 0.000 0.000 0.263 142 T C 1.089 175.782 174.700 -0.012 0.000 1.127 142 T CA 0.527 62.605 62.100 -0.036 0.000 1.103 142 T CB -0.268 68.557 68.868 -0.071 0.000 0.921 142 T HN 0.440 nan 8.240 nan 0.000 0.510 143 G N 2.340 111.144 108.800 0.006 0.000 2.333 143 G HA2 -0.182 3.778 3.960 0.000 0.000 0.296 143 G HA3 -0.182 3.778 3.960 0.000 0.000 0.296 143 G C -0.243 174.673 174.900 0.026 0.000 1.059 143 G CA -0.342 44.773 45.100 0.025 0.000 1.050 143 G HN 0.666 nan 8.290 nan 0.000 0.508 144 R N -0.905 119.609 120.500 0.024 0.000 2.837 144 R HA 0.609 4.949 4.340 0.000 0.000 0.271 144 R C -2.742 173.574 176.300 0.028 0.000 0.993 144 R CA -2.564 53.548 56.100 0.020 0.000 0.931 144 R CB 0.374 30.681 30.300 0.011 0.000 1.206 144 R HN 0.059 nan 8.270 nan 0.000 0.474 145 P HA 0.056 nan 4.420 nan 0.000 0.269 145 P C -0.662 176.658 177.300 0.033 0.000 1.217 145 P CA -0.286 62.818 63.100 0.006 0.000 0.783 145 P CB 0.452 32.137 31.700 -0.024 0.000 0.898 146 L N 3.557 124.805 121.223 0.042 0.000 2.343 146 L HA 0.516 4.856 4.340 0.000 0.000 0.278 146 L C -1.283 175.600 176.870 0.020 0.000 0.996 146 L CA -0.206 54.671 54.840 0.062 0.000 0.831 146 L CB 0.642 42.766 42.059 0.108 0.000 1.232 146 L HN 0.211 nan 8.230 nan 0.000 0.413 147 I N 4.710 125.258 120.570 -0.036 0.000 2.378 147 I HA 0.605 4.775 4.170 0.000 0.000 0.291 147 I C 0.454 176.340 176.117 -0.385 0.000 0.992 147 I CA -0.562 60.664 61.300 -0.123 0.000 1.154 147 I CB 1.854 39.802 38.000 -0.088 0.000 1.315 147 I HN 0.791 nan 8.210 nan 0.000 0.448 148 G N 7.316 115.811 108.800 -0.510 0.000 2.487 148 G HA2 0.580 4.540 3.960 0.000 0.000 0.314 148 G HA3 0.580 4.540 3.960 0.000 0.000 0.314 148 G C -0.508 173.998 174.900 -0.657 0.000 1.267 148 G CA -0.398 43.937 45.100 -1.275 0.000 0.937 148 G HN 0.382 nan 8.290 nan 0.000 0.481 149 I N 2.218 122.436 120.570 -0.587 0.000 2.281 149 I HA 0.173 4.343 4.170 0.000 0.000 0.293 149 I C -0.369 175.715 176.117 -0.056 0.000 1.085 149 I CA -1.138 60.049 61.300 -0.188 0.000 1.257 149 I CB 0.106 38.052 38.000 -0.091 0.000 1.430 149 I HN 0.289 nan 8.210 nan 0.000 0.489 150 N N 5.084 123.773 118.700 -0.018 0.000 2.455 150 N HA 0.422 5.162 4.740 0.000 0.000 0.280 150 N C -0.523 174.981 175.510 -0.009 0.000 1.055 150 N CA -0.194 52.857 53.050 0.003 0.000 0.961 150 N CB 1.070 39.531 38.487 -0.044 0.000 1.121 150 N HN 0.432 nan 8.380 nan 0.000 0.476 151 D N 1.148 121.561 120.400 0.020 0.000 2.362 151 D HA 0.457 5.097 4.640 0.000 0.000 0.228 151 D C -1.077 175.336 176.300 0.188 0.000 1.326 151 D CA -0.282 53.765 54.000 0.078 0.000 0.927 151 D CB 0.029 40.876 40.800 0.077 0.000 1.501 151 D HN 0.644 nan 8.370 nan 0.000 0.519 152 G N 0.646 109.600 108.800 0.256 0.000 2.387 152 G HA2 0.645 4.605 3.960 0.000 0.000 0.294 152 G HA3 0.645 4.605 3.960 0.000 0.000 0.294 152 G C -0.577 174.510 174.900 0.313 0.000 1.509 152 G CA -0.104 45.204 45.100 0.347 0.000 0.806 152 G HN 0.550 nan 8.290 nan 0.000 0.546 153 A N -0.334 122.567 122.820 0.136 0.000 2.311 153 A HA 0.846 5.166 4.320 0.000 0.000 0.272 153 A C 1.529 179.082 177.584 -0.052 0.000 1.438 153 A CA 0.894 52.963 52.037 0.054 0.000 0.819 153 A CB -0.549 18.478 19.000 0.045 0.000 1.336 153 A HN 2.078 nan 8.150 nan 0.000 0.528 154 G N -1.788 106.988 108.800 -0.039 0.000 2.468 154 G HA2 0.513 4.473 3.960 0.000 0.000 0.264 154 G HA3 0.513 4.473 3.960 0.000 0.000 0.264 154 G C 0.558 175.401 174.900 -0.095 0.000 1.460 154 G CA 0.115 45.186 45.100 -0.047 0.000 1.060 154 G HN 1.467 nan 8.290 nan 0.000 0.543 155 A N -0.981 121.865 122.820 0.044 0.000 2.448 155 A HA 0.403 4.723 4.320 0.000 0.000 0.239 155 A C 0.920 178.429 177.584 -0.125 0.000 1.080 155 A CA -0.217 51.808 52.037 -0.020 0.000 0.779 155 A CB 0.107 19.195 19.000 0.146 0.000 1.026 155 A HN 0.554 nan 8.150 nan 0.000 0.499 156 R N 1.725 122.093 120.500 -0.220 0.000 2.612 156 R HA 0.198 4.538 4.340 0.000 0.000 0.273 156 R C 0.317 176.522 176.300 -0.157 0.000 1.376 156 R CA -0.372 55.595 56.100 -0.222 0.000 1.171 156 R CB -0.543 29.547 30.300 -0.350 0.000 1.151 156 R HN 0.699 nan 8.270 nan 0.000 0.560 157 I N 2.524 123.033 120.570 -0.102 0.000 2.147 157 I HA -0.416 3.754 4.170 0.000 0.000 0.245 157 I C 2.056 178.150 176.117 -0.037 0.000 1.059 157 I CA 1.634 62.892 61.300 -0.070 0.000 1.320 157 I CB -0.373 37.575 38.000 -0.085 0.000 1.021 157 I HN 0.541 nan 8.210 nan 0.000 0.415 158 Q N 0.317 120.092 119.800 -0.041 0.000 2.135 158 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 158 Q C 2.164 178.228 176.000 0.107 0.000 0.981 158 Q CA 1.582 57.473 55.803 0.146 0.000 0.856 158 Q CB -0.447 28.355 28.738 0.107 0.000 0.902 158 Q HN 0.590 nan 8.270 nan 0.000 0.425 159 E N -0.461 119.696 120.200 -0.071 0.000 2.347 159 E HA 0.084 4.434 4.350 0.000 0.000 0.196 159 E C 0.756 177.325 176.600 -0.052 0.000 1.008 159 E CA 0.314 56.651 56.400 -0.106 0.000 0.852 159 E CB 0.008 29.592 29.700 -0.193 0.000 0.783 159 E HN 0.375 nan 8.360 nan 0.000 0.505 160 G N 0.366 109.159 108.800 -0.012 0.000 2.568 160 G HA2 -0.326 3.634 3.960 0.000 0.000 0.222 160 G HA3 -0.326 3.634 3.960 0.000 0.000 0.222 160 G C 0.844 175.735 174.900 -0.016 0.000 1.321 160 G CA -0.016 45.088 45.100 0.006 0.000 0.893 160 G HN 0.370 nan 8.290 nan 0.000 0.569 161 V N -0.981 118.930 119.914 -0.005 0.000 2.867 161 V HA -0.076 4.044 4.120 0.000 0.000 0.260 161 V C 2.835 178.917 176.094 -0.021 0.000 1.099 161 V CA 2.540 64.838 62.300 -0.003 0.000 1.122 161 V CB -1.096 30.729 31.823 0.003 0.000 0.708 161 V HN 1.359 nan 8.190 nan 0.000 0.490 162 V N 2.370 122.258 119.914 -0.043 0.000 2.324 162 V HA -0.289 3.831 4.120 0.000 0.000 0.250 162 V C 3.065 179.101 176.094 -0.097 0.000 1.060 162 V CA 2.613 64.875 62.300 -0.064 0.000 1.042 162 V CB -1.401 30.377 31.823 -0.075 0.000 0.650 162 V HN 0.859 nan 8.190 nan 0.000 0.450 163 S N 0.516 116.143 115.700 -0.123 0.000 2.383 163 S HA -0.163 4.307 4.470 0.000 0.000 0.229 163 S C 1.935 176.447 174.600 -0.147 0.000 1.030 163 S CA 1.686 59.756 58.200 -0.218 0.000 1.002 163 S CB -0.718 62.349 63.200 -0.221 0.000 0.829 163 S HN 0.556 nan 8.310 nan 0.000 0.467 164 L N 1.381 122.622 121.223 0.030 0.000 2.093 164 L HA 0.039 4.379 4.340 0.000 0.000 0.208 164 L C 3.023 179.934 176.870 0.069 0.000 1.085 164 L CA 1.134 56.069 54.840 0.158 0.000 0.755 164 L CB -1.503 40.619 42.059 0.104 0.000 0.904 164 L HN 0.523 nan 8.230 nan 0.000 0.435 165 G N 0.734 109.531 108.800 -0.007 0.000 2.433 165 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 165 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 165 G C 1.582 176.442 174.900 -0.066 0.000 1.186 165 G CA 0.644 45.728 45.100 -0.027 0.000 0.779 165 G HN 0.192 nan 8.290 nan 0.000 0.543 166 L N -0.760 120.389 121.223 -0.123 0.000 2.131 166 L HA -0.041 4.299 4.340 0.000 0.000 0.210 166 L C 2.607 179.346 176.870 -0.218 0.000 1.092 166 L CA 0.907 55.646 54.840 -0.168 0.000 0.759 166 L CB -0.529 41.406 42.059 -0.207 0.000 0.903 166 L HN 0.145 nan 8.230 nan 0.000 0.435 167 Y N -0.118 120.008 120.300 -0.289 0.000 2.097 167 Y HA -0.297 4.253 4.550 0.000 0.000 0.282 167 Y C 2.901 178.271 175.900 -0.883 0.000 1.152 167 Y CA 1.524 59.266 58.100 -0.597 0.000 1.136 167 Y CB -0.917 37.261 38.460 -0.470 0.000 0.975 167 Y HN 0.109 nan 8.280 nan 0.000 0.498 168 S N -0.407 115.147 115.700 -0.244 0.000 2.359 168 S HA -0.298 4.172 4.470 0.000 0.000 0.223 168 S C 2.101 176.661 174.600 -0.067 0.000 1.039 168 S CA 1.707 59.870 58.200 -0.063 0.000 1.042 168 S CB -0.421 62.806 63.200 0.046 0.000 0.915 168 S HN 0.328 nan 8.310 nan 0.000 0.439 169 R N 0.872 121.323 120.500 -0.083 0.000 2.103 169 R HA -0.081 4.259 4.340 0.000 0.000 0.242 169 R C 2.059 178.329 176.300 -0.049 0.000 1.142 169 R CA 1.567 57.637 56.100 -0.049 0.000 0.960 169 R CB -0.483 29.780 30.300 -0.061 0.000 0.858 169 R HN 0.462 nan 8.270 nan 0.000 0.439 170 I N -0.512 119.979 120.570 -0.132 0.000 2.202 170 I HA -0.237 3.933 4.170 0.000 0.000 0.242 170 I C 1.652 177.808 176.117 0.065 0.000 1.091 170 I CA 0.930 62.184 61.300 -0.077 0.000 1.368 170 I CB -0.385 37.535 38.000 -0.133 0.000 1.058 170 I HN 0.076 nan 8.210 nan 0.000 0.410 171 F N 1.438 121.449 119.950 0.102 0.000 2.095 171 F HA -0.187 4.340 4.527 0.000 0.000 0.298 171 F C 2.709 178.542 175.800 0.054 0.000 1.104 171 F CA 1.215 59.263 58.000 0.081 0.000 1.232 171 F CB -1.203 37.826 39.000 0.048 0.000 0.987 171 F HN -0.047 nan 8.300 nan 0.000 0.475 172 R N 0.256 120.889 120.500 0.221 0.000 2.080 172 R HA -0.183 4.157 4.340 0.000 0.000 0.236 172 R C 1.992 178.355 176.300 0.106 0.000 1.137 172 R CA 1.602 57.781 56.100 0.130 0.000 0.943 172 R CB -0.685 29.665 30.300 0.083 0.000 0.846 172 R HN 0.298 nan 8.270 nan 0.000 0.431 173 N N 0.726 119.482 118.700 0.093 0.000 2.205 173 N HA -0.156 4.584 4.740 0.000 0.000 0.186 173 N C 1.344 176.917 175.510 0.104 0.000 1.015 173 N CA 1.145 54.244 53.050 0.082 0.000 0.862 173 N CB -0.468 38.060 38.487 0.068 0.000 0.986 173 N HN 0.386 nan 8.380 nan 0.000 0.429 174 N N 0.678 119.463 118.700 0.140 0.000 2.058 174 N HA -0.133 4.607 4.740 0.000 0.000 0.191 174 N C 1.906 177.482 175.510 0.111 0.000 1.037 174 N CA 1.185 54.325 53.050 0.150 0.000 0.848 174 N CB -0.083 38.530 38.487 0.210 0.000 1.021 174 N HN 0.261 nan 8.380 nan 0.000 0.422 175 I N -0.667 119.963 120.570 0.100 0.000 2.546 175 I HA -0.074 4.096 4.170 0.000 0.000 0.255 175 I C 1.762 177.908 176.117 0.047 0.000 1.163 175 I CA 1.070 62.406 61.300 0.059 0.000 1.457 175 I CB -0.066 37.960 38.000 0.043 0.000 1.092 175 I HN 0.024 nan 8.210 nan 0.000 0.434 176 L N 1.181 122.439 121.223 0.059 0.000 2.141 176 L HA 0.096 4.436 4.340 0.000 0.000 0.209 176 L C 2.438 179.338 176.870 0.050 0.000 1.094 176 L CA 1.889 56.758 54.840 0.048 0.000 0.763 176 L CB -0.684 41.405 42.059 0.050 0.000 0.908 176 L HN 0.422 nan 8.230 nan 0.000 0.437 177 A N -2.354 120.506 122.820 0.067 0.000 2.275 177 A HA 0.113 4.433 4.320 0.000 0.000 0.212 177 A C 1.315 178.952 177.584 0.089 0.000 1.201 177 A CA 0.251 52.335 52.037 0.079 0.000 0.843 177 A CB -0.351 18.705 19.000 0.094 0.000 0.873 177 A HN 0.242 nan 8.150 nan 0.000 0.492 178 S N 0.253 115.995 115.700 0.069 0.000 2.571 178 S HA 0.378 4.848 4.470 0.000 0.000 0.297 178 S C 1.367 175.981 174.600 0.023 0.000 1.234 178 S CA 0.996 59.232 58.200 0.060 0.000 1.120 178 S CB -0.404 62.814 63.200 0.030 0.000 0.923 178 S HN 1.781 nan 8.310 nan 0.000 0.504 179 G N 2.903 111.724 108.800 0.034 0.000 2.175 179 G HA2 -0.232 3.728 3.960 0.000 0.000 0.244 179 G HA3 -0.232 3.728 3.960 0.000 0.000 0.244 179 G C 0.543 175.303 174.900 -0.234 0.000 0.982 179 G CA 0.225 45.208 45.100 -0.195 0.000 0.641 179 G HN 0.870 nan 8.290 nan 0.000 0.527 180 V N -0.019 119.914 119.914 0.033 0.000 2.911 180 V HA 0.465 4.585 4.120 0.000 0.000 0.237 180 V C 0.909 177.172 176.094 0.281 0.000 1.156 180 V CA 0.820 63.171 62.300 0.085 0.000 1.180 180 V CB 0.411 32.272 31.823 0.063 0.000 0.932 180 V HN 0.261 nan 8.190 nan 0.000 0.483 181 I N 1.389 122.143 120.570 0.306 0.000 2.436 181 I HA 0.450 4.620 4.170 0.000 0.000 0.289 181 I C -2.883 173.356 176.117 0.204 0.000 1.010 181 I CA -2.842 58.607 61.300 0.248 0.000 1.098 181 I CB 1.682 39.762 38.000 0.133 0.000 1.266 181 I HN 0.072 nan 8.210 nan 0.000 0.434 182 P HA 0.106 nan 4.420 nan 0.000 0.266 182 P C -0.990 176.289 177.300 -0.034 0.000 1.215 182 P CA 0.040 62.977 63.100 -0.272 0.000 0.763 182 P CB 0.244 31.672 31.700 -0.454 0.000 0.806 183 Q N 3.385 123.197 119.800 0.020 0.000 2.357 183 Q HA 0.460 4.800 4.340 0.000 0.000 0.266 183 Q C -0.410 175.635 176.000 0.074 0.000 1.021 183 Q CA -0.430 55.410 55.803 0.060 0.000 0.784 183 Q CB 1.437 30.227 28.738 0.085 0.000 1.243 183 Q HN 0.442 nan 8.270 nan 0.000 0.465 184 I N 1.303 121.923 120.570 0.084 0.000 2.359 184 I HA 0.279 4.449 4.170 0.000 0.000 0.294 184 I C -0.065 176.088 176.117 0.061 0.000 0.987 184 I CA -0.482 60.891 61.300 0.122 0.000 1.225 184 I CB 1.829 39.899 38.000 0.117 0.000 1.366 184 I HN 0.411 nan 8.210 nan 0.000 0.466 185 S N 6.921 122.671 115.700 0.082 0.000 2.474 185 S HA 0.527 4.997 4.470 0.000 0.000 0.321 185 S C -0.408 174.215 174.600 0.038 0.000 1.080 185 S CA -0.521 57.705 58.200 0.043 0.000 1.106 185 S CB 0.839 64.078 63.200 0.065 0.000 0.984 185 S HN 0.360 nan 8.310 nan 0.000 0.464 186 L N 4.725 125.943 121.223 -0.008 0.000 2.272 186 L HA 0.495 4.835 4.340 0.000 0.000 0.289 186 L C -0.789 176.069 176.870 -0.020 0.000 1.032 186 L CA -0.589 54.250 54.840 -0.001 0.000 0.810 186 L CB 0.782 42.844 42.059 0.005 0.000 1.205 186 L HN 0.478 nan 8.230 nan 0.000 0.422 187 I N 5.693 126.251 120.570 -0.021 0.000 2.307 187 I HA 0.240 4.410 4.170 0.000 0.000 0.289 187 I C 0.373 176.469 176.117 -0.036 0.000 1.021 187 I CA -0.011 61.271 61.300 -0.031 0.000 1.224 187 I CB 1.297 39.273 38.000 -0.039 0.000 1.376 187 I HN 0.759 nan 8.210 nan 0.000 0.470 188 M N 4.822 124.407 119.600 -0.025 0.000 2.596 188 M HA 0.412 4.892 4.480 0.000 0.000 0.364 188 M C 0.554 176.853 176.300 -0.002 0.000 1.158 188 M CA -0.143 55.141 55.300 -0.026 0.000 0.940 188 M CB 1.345 33.931 32.600 -0.022 0.000 1.388 188 M HN 0.699 nan 8.290 nan 0.000 0.522 189 G N 0.625 109.427 108.800 0.003 0.000 2.570 189 G HA2 0.660 4.620 3.960 0.000 0.000 0.310 189 G HA3 0.660 4.620 3.960 0.000 0.000 0.310 189 G C -1.916 172.993 174.900 0.016 0.000 1.266 189 G CA -0.552 44.562 45.100 0.022 0.000 0.825 189 G HN 0.162 nan 8.290 nan 0.000 0.483 190 A N -0.427 122.412 122.820 0.032 0.000 2.347 190 A HA 0.721 5.041 4.320 0.000 0.000 0.287 190 A C 0.442 177.992 177.584 -0.058 0.000 1.199 190 A CA 0.533 52.572 52.037 0.003 0.000 0.851 190 A CB -0.003 19.043 19.000 0.075 0.000 1.118 190 A HN 2.042 nan 8.150 nan 0.000 0.525 191 A N 2.748 125.463 122.820 -0.175 0.000 2.256 191 A HA 0.715 5.035 4.320 0.000 0.000 0.317 191 A C 0.258 177.617 177.584 -0.374 0.000 1.318 191 A CA 0.208 52.160 52.037 -0.142 0.000 0.894 191 A CB 0.275 19.208 19.000 -0.112 0.000 1.165 191 A HN 1.885 nan 8.150 nan 0.000 0.525 192 A N 2.097 124.773 122.820 -0.239 0.000 2.380 192 A HA 0.958 5.278 4.320 0.000 0.000 0.315 192 A C 0.808 178.357 177.584 -0.058 0.000 1.101 192 A CA 0.206 52.059 52.037 -0.306 0.000 0.771 192 A CB 0.778 19.661 19.000 -0.196 0.000 1.287 192 A HN 2.775 nan 8.150 nan 0.000 0.436 193 G N 0.576 109.360 108.800 -0.028 0.000 2.512 193 G HA2 0.089 4.049 3.960 0.000 0.000 0.254 193 G HA3 0.089 4.049 3.960 0.000 0.000 0.254 193 G C 1.145 176.060 174.900 0.025 0.000 1.199 193 G CA 0.538 45.652 45.100 0.024 0.000 0.941 193 G HN 2.045 nan 8.290 nan 0.000 0.569 194 G N -1.235 107.531 108.800 -0.056 0.000 2.625 194 G HA2 0.038 3.998 3.960 0.000 0.000 0.214 194 G HA3 0.038 3.998 3.960 0.000 0.000 0.214 194 G C 1.182 176.128 174.900 0.077 0.000 1.132 194 G CA 1.435 46.485 45.100 -0.083 0.000 0.782 194 G HN 0.881 nan 8.290 nan 0.000 0.538 195 H N -0.327 118.751 119.070 0.013 0.000 2.561 195 H HA 0.016 4.572 4.556 0.000 0.000 0.278 195 H C 2.338 177.713 175.328 0.079 0.000 1.014 195 H CA 0.684 56.831 56.048 0.165 0.000 1.211 195 H CB 0.494 30.340 29.762 0.139 0.000 1.365 195 H HN 0.373 nan 8.280 nan 0.000 0.594 196 V N -3.322 116.612 119.914 0.034 0.000 3.643 196 V HA 0.002 4.122 4.120 0.000 0.000 0.280 196 V C 1.278 177.226 176.094 -0.244 0.000 1.351 196 V CA 0.189 62.387 62.300 -0.169 0.000 1.073 196 V CB -0.631 30.991 31.823 -0.335 0.000 0.863 196 V HN 0.198 nan 8.190 nan 0.000 0.436 197 Y N 1.041 121.330 120.300 -0.018 0.000 2.286 197 Y HA 0.018 4.568 4.550 0.000 0.000 0.293 197 Y C 3.088 178.953 175.900 -0.060 0.000 1.124 197 Y CA 1.733 59.707 58.100 -0.210 0.000 1.178 197 Y CB -0.333 37.667 38.460 -0.766 0.000 1.010 197 Y HN 0.317 nan 8.280 nan 0.000 0.536 198 S N 0.385 116.329 115.700 0.407 0.000 2.353 198 S HA -0.146 4.324 4.470 0.000 0.000 0.222 198 S C -0.524 174.201 174.600 0.208 0.000 1.035 198 S CA 1.747 60.188 58.200 0.401 0.000 1.025 198 S CB -1.177 62.292 63.200 0.448 0.000 0.902 198 S HN 0.166 nan 8.310 nan 0.000 0.440 199 P HA -0.074 nan 4.420 nan 0.000 0.214 199 P C 1.618 178.945 177.300 0.045 0.000 1.163 199 P CA 1.845 64.990 63.100 0.074 0.000 0.889 199 P CB -0.326 31.382 31.700 0.014 0.000 0.790 200 A N -0.699 122.121 122.820 0.000 0.000 1.948 200 A HA -0.199 4.121 4.320 0.000 0.000 0.220 200 A C 2.152 179.747 177.584 0.019 0.000 1.177 200 A CA 1.642 53.671 52.037 -0.012 0.000 0.636 200 A CB -1.722 17.244 19.000 -0.057 0.000 0.815 200 A HN 0.151 nan 8.150 nan 0.000 0.449 201 L N 0.138 121.385 121.223 0.040 0.000 2.376 201 L HA -0.024 4.316 4.340 0.000 0.000 0.219 201 L C 1.878 178.780 176.870 0.053 0.000 1.133 201 L CA 0.752 55.620 54.840 0.047 0.000 0.816 201 L CB -1.033 41.072 42.059 0.077 0.000 0.933 201 L HN 0.612 nan 8.230 nan 0.000 0.449 202 T N -3.790 110.800 114.554 0.060 0.000 2.729 202 T HA 0.029 4.379 4.350 0.000 0.000 0.298 202 T C 0.810 175.483 174.700 -0.046 0.000 1.013 202 T CA -0.395 61.728 62.100 0.039 0.000 0.957 202 T CB 0.863 69.770 68.868 0.065 0.000 1.130 202 T HN 0.011 nan 8.240 nan 0.000 0.526 203 D N -0.661 119.650 120.400 -0.149 0.000 2.262 203 D HA 0.169 4.809 4.640 0.000 0.000 0.212 203 D C -0.026 175.741 176.300 -0.888 0.000 0.964 203 D CA 0.855 54.573 54.000 -0.470 0.000 0.875 203 D CB 0.108 40.571 40.800 -0.561 0.000 0.996 203 D HN 0.489 nan 8.370 nan 0.000 0.497 204 F N 0.413 120.263 119.950 -0.166 0.000 2.540 204 F HA 0.400 4.927 4.527 0.000 0.000 0.317 204 F C -0.314 175.462 175.800 -0.039 0.000 1.104 204 F CA -1.094 56.711 58.000 -0.327 0.000 0.913 204 F CB 2.577 41.483 39.000 -0.156 0.000 1.170 204 F HN -0.433 nan 8.300 nan 0.000 0.450 205 V N 4.873 125.002 119.914 0.358 0.000 2.376 205 V HA 0.416 4.536 4.120 0.000 0.000 0.287 205 V C -0.607 175.624 176.094 0.228 0.000 1.015 205 V CA -0.522 61.938 62.300 0.266 0.000 0.834 205 V CB 1.297 33.244 31.823 0.207 0.000 1.001 205 V HN 0.459 nan 8.190 nan 0.000 0.428 206 I N 6.191 126.845 120.570 0.140 0.000 2.354 206 I HA 0.551 4.721 4.170 0.000 0.000 0.292 206 I C 0.171 176.299 176.117 0.019 0.000 0.989 206 I CA 0.047 61.400 61.300 0.088 0.000 1.188 206 I CB 1.559 39.625 38.000 0.109 0.000 1.342 206 I HN 0.471 nan 8.210 nan 0.000 0.457 207 M N 4.994 124.576 119.600 -0.030 0.000 2.724 207 M HA 0.654 5.134 4.480 0.000 0.000 0.310 207 M C -1.023 175.210 176.300 -0.110 0.000 1.217 207 M CA -1.140 54.124 55.300 -0.060 0.000 0.894 207 M CB 2.474 35.048 32.600 -0.044 0.000 1.719 207 M HN 0.088 nan 8.290 nan 0.000 0.479 208 V N 0.715 120.568 119.914 -0.103 0.000 2.384 208 V HA 0.181 4.301 4.120 0.000 0.000 0.287 208 V C -0.777 175.245 176.094 -0.120 0.000 1.020 208 V CA -0.726 61.498 62.300 -0.127 0.000 0.850 208 V CB 1.482 33.234 31.823 -0.118 0.000 0.987 208 V HN 0.797 nan 8.190 nan 0.000 0.436 209 D N 4.143 124.454 120.400 -0.149 0.000 2.358 209 D HA 0.326 4.966 4.640 0.000 0.000 0.258 209 D C 0.585 176.784 176.300 -0.168 0.000 1.223 209 D CA 0.835 54.732 54.000 -0.172 0.000 0.886 209 D CB 0.657 41.344 40.800 -0.188 0.000 1.120 209 D HN 0.694 nan 8.370 nan 0.000 0.482 210 Q N 1.015 120.719 119.800 -0.161 0.000 7.722 210 Q HA -0.213 4.127 4.340 0.000 0.000 0.360 210 Q C 1.063 177.025 176.000 -0.063 0.000 1.162 210 Q CA 1.386 57.114 55.803 -0.126 0.000 0.526 210 Q CB -1.462 27.204 28.738 -0.122 0.000 0.160 210 Q HN 0.656 nan 8.270 nan 0.000 0.876 211 T N -0.961 113.562 114.554 -0.053 0.000 3.169 211 T HA 0.270 4.620 4.350 0.000 0.000 0.250 211 T C 0.267 174.960 174.700 -0.012 0.000 1.111 211 T CA 0.576 62.662 62.100 -0.023 0.000 1.010 211 T CB 0.082 68.937 68.868 -0.023 0.000 0.984 211 T HN 0.421 nan 8.240 nan 0.000 0.537 212 S N -0.074 115.616 115.700 -0.017 0.000 2.619 212 S HA 0.741 5.211 4.470 0.000 0.000 0.280 212 S C -1.249 173.370 174.600 0.031 0.000 1.150 212 S CA -0.970 57.229 58.200 -0.001 0.000 0.978 212 S CB 2.380 65.565 63.200 -0.025 0.000 1.041 212 S HN 0.194 nan 8.310 nan 0.000 0.485 213 Q N 1.295 121.128 119.800 0.055 0.000 2.712 213 Q HA 0.814 5.154 4.340 0.000 0.000 0.267 213 Q C -0.935 175.085 176.000 0.033 0.000 1.062 213 Q CA -0.830 55.050 55.803 0.128 0.000 0.888 213 Q CB 1.788 30.692 28.738 0.277 0.000 1.374 213 Q HN 0.860 nan 8.270 nan 0.000 0.498 214 M N 1.630 121.278 119.600 0.080 0.000 2.396 214 M HA 0.484 4.964 4.480 0.000 0.000 0.222 214 M C -2.150 174.199 176.300 0.081 0.000 0.972 214 M CA -0.254 54.975 55.300 -0.118 0.000 0.887 214 M CB 0.833 33.354 32.600 -0.133 0.000 2.378 214 M HN 0.603 nan 8.290 nan 0.000 0.446 215 F N 2.750 122.733 119.950 0.055 0.000 2.703 215 F HA 0.553 5.080 4.527 0.000 0.000 0.308 215 F C -0.535 175.256 175.800 -0.015 0.000 1.126 215 F CA -1.083 56.941 58.000 0.040 0.000 0.959 215 F CB 0.553 39.585 39.000 0.054 0.000 1.297 215 F HN 0.381 nan 8.300 nan 0.000 0.441 216 I N 0.089 120.767 120.570 0.179 0.000 2.333 216 I HA 0.012 4.182 4.170 0.000 0.000 0.246 216 I C 0.513 176.756 176.117 0.210 0.000 1.106 216 I CA 1.238 62.595 61.300 0.095 0.000 1.411 216 I CB -0.117 37.908 38.000 0.042 0.000 1.082 216 I HN 0.637 nan 8.210 nan 0.000 0.420 217 T N 0.689 115.398 114.554 0.258 0.000 2.856 217 T HA 0.530 4.880 4.350 0.000 0.000 0.283 217 T C 0.107 174.904 174.700 0.161 0.000 1.008 217 T CA -0.529 61.686 62.100 0.192 0.000 0.997 217 T CB 1.904 70.824 68.868 0.086 0.000 0.992 217 T HN 0.285 nan 8.240 nan 0.000 0.454 218 G N 2.098 110.957 108.800 0.098 0.000 2.537 218 G HA2 0.398 4.358 3.960 0.000 0.000 0.273 218 G HA3 0.398 4.358 3.960 0.000 0.000 0.273 218 G C -1.688 173.084 174.900 -0.213 0.000 1.189 218 G CA -1.461 43.547 45.100 -0.155 0.000 0.881 218 G HN 0.402 nan 8.290 nan 0.000 0.535 219 P HA -0.118 nan 4.420 nan 0.000 0.216 219 P C 1.230 178.469 177.300 -0.102 0.000 1.150 219 P CA 1.173 64.157 63.100 -0.194 0.000 0.843 219 P CB 0.255 31.837 31.700 -0.196 0.000 0.787 220 D N -0.594 119.762 120.400 -0.074 0.000 2.108 220 D HA -0.133 4.507 4.640 0.000 0.000 0.190 220 D C 2.082 178.364 176.300 -0.029 0.000 0.995 220 D CA 1.342 55.319 54.000 -0.039 0.000 0.834 220 D CB -0.975 39.814 40.800 -0.019 0.000 0.967 220 D HN -0.034 nan 8.370 nan 0.000 0.446 221 V N 1.728 121.631 119.914 -0.020 0.000 2.324 221 V HA -0.252 3.868 4.120 0.000 0.000 0.250 221 V C 2.631 178.715 176.094 -0.017 0.000 1.060 221 V CA 1.258 63.552 62.300 -0.009 0.000 1.042 221 V CB -0.484 31.343 31.823 0.007 0.000 0.650 221 V HN 0.204 nan 8.190 nan 0.000 0.450 222 I N -0.259 120.291 120.570 -0.033 0.000 2.163 222 I HA -0.329 3.841 4.170 0.000 0.000 0.243 222 I C 2.632 178.731 176.117 -0.031 0.000 1.085 222 I CA 2.181 63.460 61.300 -0.035 0.000 1.347 222 I CB -0.444 37.520 38.000 -0.060 0.000 1.044 222 I HN 0.311 nan 8.210 nan 0.000 0.408 223 K N 0.692 121.070 120.400 -0.037 0.000 2.026 223 K HA -0.193 4.127 4.320 0.000 0.000 0.208 223 K C 1.801 178.389 176.600 -0.020 0.000 1.048 223 K CA 1.968 58.238 56.287 -0.030 0.000 0.929 223 K CB -0.161 32.319 32.500 -0.033 0.000 0.713 223 K HN 0.414 nan 8.250 nan 0.000 0.439 224 T N -1.901 112.643 114.554 -0.018 0.000 3.361 224 T HA 0.083 4.433 4.350 0.000 0.000 0.251 224 T C 1.108 175.802 174.700 -0.009 0.000 1.131 224 T CA 0.181 62.274 62.100 -0.012 0.000 1.001 224 T CB 0.442 69.304 68.868 -0.010 0.000 1.003 224 T HN 0.030 nan 8.240 nan 0.000 0.558 225 V N 0.506 120.414 119.914 -0.010 0.000 3.177 225 V HA 0.123 4.243 4.120 0.000 0.000 0.220 225 V C 2.548 178.638 176.094 -0.008 0.000 1.395 225 V CA 0.829 63.125 62.300 -0.007 0.000 1.317 225 V CB 0.504 32.325 31.823 -0.004 0.000 1.148 225 V HN 0.661 nan 8.190 nan 0.000 0.499 226 T N -2.922 111.626 114.554 -0.011 0.000 2.990 226 T HA 0.369 4.719 4.350 0.000 0.000 0.249 226 T C 1.602 176.294 174.700 -0.013 0.000 1.039 226 T CA 1.377 63.470 62.100 -0.011 0.000 1.036 226 T CB 1.061 69.921 68.868 -0.013 0.000 0.994 226 T HN 1.155 nan 8.240 nan 0.000 0.489 227 G N 1.496 110.287 108.800 -0.016 0.000 2.217 227 G HA2 -0.235 3.725 3.960 0.000 0.000 0.246 227 G HA3 -0.235 3.725 3.960 0.000 0.000 0.246 227 G C -0.155 174.734 174.900 -0.020 0.000 0.990 227 G CA 0.032 45.123 45.100 -0.016 0.000 0.627 227 G HN 0.673 nan 8.290 nan 0.000 0.522 228 E N 1.071 121.258 120.200 -0.023 0.000 2.413 228 E HA 0.371 4.721 4.350 0.000 0.000 0.263 228 E C -0.021 176.559 176.600 -0.035 0.000 1.015 228 E CA 0.349 56.733 56.400 -0.027 0.000 0.916 228 E CB 0.634 30.316 29.700 -0.030 0.000 0.947 228 E HN 0.448 nan 8.360 nan 0.000 0.440 229 E N 1.981 122.160 120.200 -0.034 0.000 2.155 229 E HA 0.342 4.692 4.350 0.000 0.000 0.264 229 E C -0.948 175.624 176.600 -0.046 0.000 0.886 229 E CA -0.521 55.855 56.400 -0.039 0.000 0.752 229 E CB 1.549 31.232 29.700 -0.030 0.000 1.133 229 E HN 0.318 nan 8.360 nan 0.000 0.414 230 V N -0.283 119.594 119.914 -0.063 0.000 3.188 230 V HA 0.619 4.739 4.120 0.000 0.000 0.305 230 V C -0.051 175.990 176.094 -0.089 0.000 1.232 230 V CA -1.074 61.183 62.300 -0.073 0.000 1.043 230 V CB 1.507 33.277 31.823 -0.088 0.000 1.068 230 V HN 0.669 nan 8.190 nan 0.000 0.439 231 T N -0.777 113.728 114.554 -0.081 0.000 2.927 231 T HA 0.520 4.870 4.350 0.000 0.000 0.281 231 T C 0.944 175.576 174.700 -0.113 0.000 0.998 231 T CA -0.462 61.590 62.100 -0.079 0.000 1.019 231 T CB 1.492 70.332 68.868 -0.047 0.000 1.061 231 T HN 0.691 nan 8.240 nan 0.000 0.518 232 M N 0.133 119.673 119.600 -0.100 0.000 2.213 232 M HA -0.056 4.424 4.480 0.000 0.000 0.263 232 M C 2.297 178.596 176.300 -0.002 0.000 1.062 232 M CA 1.638 56.882 55.300 -0.093 0.000 1.105 232 M CB -0.404 32.229 32.600 0.054 0.000 1.385 232 M HN 0.833 nan 8.290 nan 0.000 0.417 233 E N 0.900 121.096 120.200 -0.007 0.000 2.106 233 E HA -0.172 4.178 4.350 0.000 0.000 0.192 233 E C 1.518 178.101 176.600 -0.027 0.000 0.984 233 E CA 1.569 57.962 56.400 -0.010 0.000 0.806 233 E CB 0.016 29.697 29.700 -0.031 0.000 0.750 233 E HN 0.543 nan 8.360 nan 0.000 0.458 234 E N -0.300 119.875 120.200 -0.041 0.000 2.076 234 E HA -0.098 4.252 4.350 0.000 0.000 0.190 234 E C 2.063 178.616 176.600 -0.078 0.000 0.979 234 E CA 0.675 57.047 56.400 -0.046 0.000 0.807 234 E CB -0.180 29.494 29.700 -0.044 0.000 0.761 234 E HN 0.182 nan 8.360 nan 0.000 0.454 235 L N 0.414 121.577 121.223 -0.101 0.000 1.989 235 L HA -0.043 4.297 4.340 0.000 0.000 0.211 235 L C 1.449 178.267 176.870 -0.086 0.000 1.071 235 L CA 2.256 57.019 54.840 -0.128 0.000 0.749 235 L CB -0.236 41.662 42.059 -0.268 0.000 0.890 235 L HN 0.134 nan 8.230 nan 0.000 0.431 236 G N -1.166 107.649 108.800 0.024 0.000 5.077 236 G HA2 0.463 4.423 3.960 0.000 0.000 0.230 236 G HA3 0.463 4.423 3.960 0.000 0.000 0.230 236 G C 0.189 175.170 174.900 0.134 0.000 0.924 236 G CA 0.071 45.206 45.100 0.058 0.000 0.770 236 G HN 0.628 nan 8.290 nan 0.000 0.512 237 G N -0.701 108.107 108.800 0.014 0.000 2.580 237 G HA2 0.529 4.489 3.960 0.000 0.000 0.278 237 G HA3 0.529 4.489 3.960 0.000 0.000 0.278 237 G C 1.272 176.199 174.900 0.046 0.000 1.212 237 G CA 0.338 45.460 45.100 0.036 0.000 0.939 237 G HN 0.549 nan 8.290 nan 0.000 0.513 238 A N -0.817 122.014 122.820 0.018 0.000 1.908 238 A HA -0.110 4.210 4.320 0.000 0.000 0.218 238 A C 1.910 179.533 177.584 0.065 0.000 1.181 238 A CA 2.082 54.133 52.037 0.023 0.000 0.627 238 A CB -1.099 17.868 19.000 -0.055 0.000 0.818 238 A HN 0.853 nan 8.150 nan 0.000 0.445 239 H N -0.641 118.397 119.070 -0.053 0.000 2.289 239 H HA -0.184 4.372 4.556 0.000 0.000 0.294 239 H C 2.674 177.970 175.328 -0.054 0.000 1.095 239 H CA 2.012 58.027 56.048 -0.056 0.000 1.256 239 H CB 0.003 29.735 29.762 -0.051 0.000 1.359 239 H HN 0.734 nan 8.280 nan 0.000 0.487 240 T N -1.631 112.951 114.554 0.047 0.000 2.851 240 T HA -0.142 4.208 4.350 0.000 0.000 0.262 240 T C 1.742 176.387 174.700 -0.092 0.000 1.043 240 T CA 1.057 63.121 62.100 -0.061 0.000 1.140 240 T CB -0.329 68.444 68.868 -0.158 0.000 0.872 240 T HN 0.423 nan 8.240 nan 0.000 0.446 241 H N -0.089 118.977 119.070 -0.008 0.000 2.561 241 H HA 0.217 4.773 4.556 0.000 0.000 0.278 241 H C 1.847 177.103 175.328 -0.120 0.000 1.014 241 H CA 1.304 57.316 56.048 -0.061 0.000 1.211 241 H CB 0.081 29.809 29.762 -0.057 0.000 1.365 241 H HN 0.449 nan 8.280 nan 0.000 0.594 242 M N -0.514 119.098 119.600 0.020 0.000 2.718 242 M HA 0.255 4.735 4.480 0.000 0.000 0.259 242 M C 2.023 178.348 176.300 0.042 0.000 1.240 242 M CA 1.294 56.575 55.300 -0.032 0.000 1.210 242 M CB 0.109 32.698 32.600 -0.018 0.000 1.281 242 M HN 0.011 nan 8.290 nan 0.000 0.515 243 A N -0.582 122.288 122.820 0.082 0.000 2.169 243 A HA 0.183 4.503 4.320 0.000 0.000 0.210 243 A C 1.889 179.605 177.584 0.220 0.000 1.168 243 A CA 0.610 52.744 52.037 0.163 0.000 0.813 243 A CB -0.119 18.904 19.000 0.039 0.000 0.861 243 A HN 0.509 nan 8.150 nan 0.000 0.481 244 K N -0.427 120.053 120.400 0.133 0.000 2.267 244 K HA 0.015 4.335 4.320 0.000 0.000 0.213 244 K C 2.217 178.908 176.600 0.152 0.000 1.060 244 K CA 1.054 57.419 56.287 0.130 0.000 0.935 244 K CB -0.028 32.493 32.500 0.035 0.000 1.096 244 K HN 0.439 nan 8.250 nan 0.000 0.468 245 S N 0.081 115.812 115.700 0.051 0.000 2.470 245 S HA 0.055 4.525 4.470 0.000 0.000 0.225 245 S C 1.369 175.869 174.600 -0.168 0.000 1.006 245 S CA 0.607 58.826 58.200 0.031 0.000 0.934 245 S CB 0.024 63.307 63.200 0.139 0.000 0.778 245 S HN 0.461 nan 8.310 nan 0.000 0.517 246 G N 0.538 109.034 108.800 -0.507 0.000 2.272 246 G HA2 -0.237 3.723 3.960 0.000 0.000 0.280 246 G HA3 -0.237 3.723 3.960 0.000 0.000 0.280 246 G C 0.413 174.959 174.900 -0.590 0.000 1.067 246 G CA 0.627 44.998 45.100 -1.215 0.000 0.902 246 G HN 0.542 nan 8.290 nan 0.000 0.500 247 T N -0.557 113.793 114.554 -0.340 0.000 3.046 247 T HA 0.501 4.851 4.350 0.000 0.000 0.242 247 T C 1.614 176.150 174.700 -0.273 0.000 1.018 247 T CA 1.083 63.028 62.100 -0.259 0.000 1.131 247 T CB 0.293 69.035 68.868 -0.211 0.000 0.904 247 T HN 1.376 nan 8.240 nan 0.000 0.459 248 A N 1.201 123.897 122.820 -0.207 0.000 2.366 248 A HA 0.406 4.726 4.320 0.000 0.000 0.272 248 A C 0.209 177.690 177.584 -0.172 0.000 1.135 248 A CA -0.230 51.741 52.037 -0.111 0.000 0.804 248 A CB 0.039 19.013 19.000 -0.043 0.000 1.064 248 A HN 0.487 nan 8.150 nan 0.000 0.499 249 H N 0.053 119.147 119.070 0.040 0.000 2.548 249 H HA 0.228 4.784 4.556 0.000 0.000 0.265 249 H C -0.809 174.550 175.328 0.051 0.000 0.969 249 H CA 1.356 57.462 56.048 0.096 0.000 1.155 249 H CB 0.100 30.024 29.762 0.270 0.000 1.394 249 H HN 0.656 nan 8.280 nan 0.000 0.570 250 Y N -0.199 120.017 120.300 -0.140 0.000 2.521 250 Y HA 0.520 5.070 4.550 0.000 0.000 0.328 250 Y C -1.720 174.037 175.900 -0.238 0.000 1.151 250 Y CA -1.816 56.068 58.100 -0.360 0.000 1.054 250 Y CB 1.150 39.015 38.460 -0.991 0.000 1.338 250 Y HN -0.096 nan 8.280 nan 0.000 0.453 251 A N 4.429 126.776 122.820 -0.788 0.000 2.399 251 A HA 0.822 5.142 4.320 0.000 0.000 0.327 251 A C -0.596 176.471 177.584 -0.862 0.000 1.367 251 A CA -0.033 51.662 52.037 -0.570 0.000 0.842 251 A CB -0.389 18.439 19.000 -0.287 0.000 1.142 251 A HN 1.157 nan 8.150 nan 0.000 0.495 252 A N 1.656 124.057 122.820 -0.698 0.000 2.388 252 A HA 0.536 4.856 4.320 0.000 0.000 0.257 252 A C 1.254 178.695 177.584 -0.239 0.000 1.095 252 A CA 0.188 51.956 52.037 -0.447 0.000 0.791 252 A CB 0.332 19.265 19.000 -0.111 0.000 1.029 252 A HN 0.767 nan 8.150 nan 0.000 0.489 253 S N 0.792 116.403 115.700 -0.148 0.000 2.377 253 S HA 0.183 4.653 4.470 0.000 0.000 0.223 253 S C 1.060 175.614 174.600 -0.076 0.000 1.030 253 S CA 1.214 59.358 58.200 -0.094 0.000 0.970 253 S CB -0.033 63.138 63.200 -0.048 0.000 0.830 253 S HN 1.167 nan 8.310 nan 0.000 0.473 254 G N -0.325 108.436 108.800 -0.064 0.000 2.658 254 G HA2 0.469 4.429 3.960 0.000 0.000 0.292 254 G HA3 0.469 4.429 3.960 0.000 0.000 0.292 254 G C -0.062 174.766 174.900 -0.121 0.000 1.320 254 G CA -0.498 44.561 45.100 -0.068 0.000 0.933 254 G HN 0.120 nan 8.290 nan 0.000 0.476 255 E N -0.285 119.822 120.200 -0.155 0.000 2.118 255 E HA -0.188 4.162 4.350 0.000 0.000 0.195 255 E C 2.176 178.479 176.600 -0.495 0.000 0.992 255 E CA 0.802 56.990 56.400 -0.354 0.000 0.804 255 E CB 0.125 29.675 29.700 -0.250 0.000 0.741 255 E HN 0.376 nan 8.360 nan 0.000 0.458 256 Q N 1.036 120.761 119.800 -0.125 0.000 2.096 256 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 256 Q C 1.766 177.793 176.000 0.045 0.000 0.982 256 Q CA 1.417 57.266 55.803 0.077 0.000 0.850 256 Q CB -0.383 28.424 28.738 0.116 0.000 0.901 256 Q HN 0.230 nan 8.270 nan 0.000 0.422 257 D N -0.326 120.081 120.400 0.012 0.000 2.117 257 D HA -0.111 4.529 4.640 0.000 0.000 0.197 257 D C 1.654 178.035 176.300 0.136 0.000 0.987 257 D CA 1.517 55.576 54.000 0.098 0.000 0.829 257 D CB -0.065 40.797 40.800 0.102 0.000 0.961 257 D HN 0.241 nan 8.370 nan 0.000 0.460 258 A N -0.250 122.556 122.820 -0.022 0.000 1.865 258 A HA -0.168 4.152 4.320 0.000 0.000 0.217 258 A C 2.123 179.717 177.584 0.017 0.000 1.191 258 A CA 1.501 53.519 52.037 -0.031 0.000 0.623 258 A CB -1.201 17.628 19.000 -0.284 0.000 0.826 258 A HN 0.280 nan 8.150 nan 0.000 0.444 259 F N 0.927 120.929 119.950 0.087 0.000 2.095 259 F HA -0.178 4.349 4.527 0.000 0.000 0.298 259 F C 2.158 177.985 175.800 0.045 0.000 1.104 259 F CA 1.264 59.293 58.000 0.048 0.000 1.232 259 F CB -1.080 37.934 39.000 0.023 0.000 0.987 259 F HN 0.221 nan 8.300 nan 0.000 0.475 260 D N -0.997 119.542 120.400 0.232 0.000 2.133 260 D HA -0.260 4.380 4.640 0.000 0.000 0.195 260 D C 2.139 178.473 176.300 0.058 0.000 0.997 260 D CA 1.456 55.532 54.000 0.128 0.000 0.840 260 D CB -0.863 40.004 40.800 0.112 0.000 0.947 260 D HN 0.335 nan 8.370 nan 0.000 0.452 261 Y N 1.380 121.633 120.300 -0.078 0.000 2.145 261 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 261 Y C 2.368 178.172 175.900 -0.160 0.000 1.145 261 Y CA 1.202 59.153 58.100 -0.248 0.000 1.148 261 Y CB -0.271 37.865 38.460 -0.541 0.000 0.981 261 Y HN -0.208 nan 8.280 nan 0.000 0.507 262 V N 0.506 120.478 119.914 0.097 0.000 2.407 262 V HA -0.305 3.815 4.120 0.000 0.000 0.248 262 V C 2.461 178.531 176.094 -0.039 0.000 1.055 262 V CA 2.252 64.576 62.300 0.039 0.000 1.049 262 V CB -0.655 31.241 31.823 0.120 0.000 0.662 262 V HN 0.326 nan 8.190 nan 0.000 0.455 263 R N -0.256 120.240 120.500 -0.007 0.000 2.092 263 R HA -0.209 4.131 4.340 0.000 0.000 0.231 263 R C 2.347 178.596 176.300 -0.085 0.000 1.119 263 R CA 1.824 57.905 56.100 -0.031 0.000 0.970 263 R CB -0.093 30.209 30.300 0.003 0.000 0.864 263 R HN 0.531 nan 8.270 nan 0.000 0.440 264 E N 0.445 120.570 120.200 -0.125 0.000 2.047 264 E HA -0.172 4.178 4.350 0.000 0.000 0.191 264 E C 1.777 178.297 176.600 -0.133 0.000 0.987 264 E CA 0.915 57.228 56.400 -0.146 0.000 0.799 264 E CB -0.299 29.286 29.700 -0.192 0.000 0.752 264 E HN 0.209 nan 8.360 nan 0.000 0.449 265 L N 0.370 121.431 121.223 -0.270 0.000 2.043 265 L HA -0.156 4.184 4.340 0.000 0.000 0.212 265 L C 2.048 178.799 176.870 -0.198 0.000 1.075 265 L CA 1.762 56.426 54.840 -0.294 0.000 0.752 265 L CB -0.506 41.276 42.059 -0.462 0.000 0.891 265 L HN 0.278 nan 8.230 nan 0.000 0.432 266 L N -0.736 120.389 121.223 -0.164 0.000 2.291 266 L HA -0.110 4.230 4.340 0.000 0.000 0.214 266 L C 2.480 179.268 176.870 -0.136 0.000 1.120 266 L CA 1.027 55.784 54.840 -0.139 0.000 0.799 266 L CB -0.616 41.386 42.059 -0.096 0.000 0.925 266 L HN 0.502 nan 8.230 nan 0.000 0.446 267 S N -1.416 114.191 115.700 -0.155 0.000 2.474 267 S HA -0.144 4.326 4.470 0.000 0.000 0.235 267 S C 1.596 176.018 174.600 -0.296 0.000 0.997 267 S CA 0.665 58.741 58.200 -0.206 0.000 0.949 267 S CB -0.408 62.642 63.200 -0.250 0.000 0.766 267 S HN 0.457 nan 8.310 nan 0.000 0.517 268 Y N 1.198 121.354 120.300 -0.240 0.000 2.509 268 Y HA 0.475 5.025 4.550 0.000 0.000 0.270 268 Y C 0.903 176.600 175.900 -0.339 0.000 1.103 268 Y CA -0.401 57.507 58.100 -0.321 0.000 1.278 268 Y CB 0.196 38.320 38.460 -0.561 0.000 1.087 268 Y HN 0.176 nan 8.280 nan 0.000 0.542 269 L N 2.618 123.729 121.223 -0.187 0.000 2.334 269 L HA 0.403 4.743 4.340 0.000 0.000 0.275 269 L C -2.279 174.524 176.870 -0.111 0.000 1.036 269 L CA -2.225 52.502 54.840 -0.188 0.000 0.807 269 L CB 1.112 42.999 42.059 -0.287 0.000 1.231 269 L HN -0.200 nan 8.230 nan 0.000 0.438 270 P HA 0.220 nan 4.420 nan 0.000 0.279 270 P C -2.316 174.972 177.300 -0.019 0.000 1.276 270 P CA -1.583 61.513 63.100 -0.007 0.000 0.801 270 P CB 0.579 32.312 31.700 0.055 0.000 1.127 271 P HA -0.114 nan 4.420 nan 0.000 0.223 271 P C -0.201 177.127 177.300 0.047 0.000 1.151 271 P CA 1.514 64.618 63.100 0.006 0.000 0.787 271 P CB 0.036 31.742 31.700 0.010 0.000 0.788 272 N N -1.618 117.146 118.700 0.107 0.000 3.227 272 N HA 0.003 4.743 4.740 0.000 0.000 0.241 272 N C 0.262 175.924 175.510 0.253 0.000 1.480 272 N CA -0.826 52.342 53.050 0.197 0.000 0.886 272 N CB -0.810 37.749 38.487 0.120 0.000 1.406 272 N HN -0.291 nan 8.380 nan 0.000 0.514 273 N N -0.832 118.004 118.700 0.228 0.000 2.571 273 N HA -0.053 4.687 4.740 0.000 0.000 0.189 273 N C -0.349 175.183 175.510 0.037 0.000 1.154 273 N CA 0.581 53.678 53.050 0.078 0.000 0.907 273 N CB -0.307 38.105 38.487 -0.126 0.000 0.977 273 N HN 0.479 nan 8.380 nan 0.000 0.449 274 S N -1.034 114.697 115.700 0.053 0.000 2.535 274 S HA 0.103 4.573 4.470 0.000 0.000 0.214 274 S C 0.402 175.022 174.600 0.033 0.000 0.980 274 S CA -0.158 58.060 58.200 0.030 0.000 0.907 274 S CB 0.368 63.584 63.200 0.026 0.000 0.790 274 S HN 0.302 nan 8.310 nan 0.000 0.510 275 T N 2.732 117.317 114.554 0.051 0.000 2.885 275 T HA 0.333 4.683 4.350 0.000 0.000 0.285 275 T C -0.832 173.898 174.700 0.050 0.000 1.019 275 T CA -0.792 61.333 62.100 0.042 0.000 1.010 275 T CB 1.332 70.223 68.868 0.040 0.000 1.022 275 T HN 0.015 nan 8.240 nan 0.000 0.466 276 D N 1.679 122.101 120.400 0.036 0.000 2.362 276 D HA 0.383 5.023 4.640 0.000 0.000 0.242 276 D C 0.315 176.639 176.300 0.040 0.000 1.132 276 D CA -0.198 53.825 54.000 0.039 0.000 0.907 276 D CB 0.877 41.695 40.800 0.030 0.000 1.195 276 D HN 0.673 nan 8.370 nan 0.000 0.429 277 A N 3.049 125.896 122.820 0.046 0.000 2.520 277 A HA 0.228 4.548 4.320 0.000 0.000 0.245 277 A C -1.880 175.723 177.584 0.033 0.000 1.072 277 A CA -0.885 51.173 52.037 0.036 0.000 0.761 277 A CB -0.377 18.647 19.000 0.040 0.000 1.004 277 A HN 0.350 nan 8.150 nan 0.000 0.499 278 P HA 0.107 nan 4.420 nan 0.000 0.265 278 P C -0.605 176.746 177.300 0.085 0.000 1.193 278 P CA 0.412 63.534 63.100 0.036 0.000 0.765 278 P CB 0.516 32.226 31.700 0.017 0.000 0.823 279 R N 1.944 122.502 120.500 0.097 0.000 2.711 279 R HA 0.486 4.826 4.340 0.000 0.000 0.284 279 R C -0.325 176.111 176.300 0.228 0.000 0.968 279 R CA -0.719 55.471 56.100 0.150 0.000 0.924 279 R CB 1.053 31.407 30.300 0.090 0.000 1.162 279 R HN 0.412 nan 8.270 nan 0.000 0.465 280 Y N 0.739 121.022 120.300 -0.028 0.000 2.374 280 Y HA 0.087 4.637 4.550 0.000 0.000 0.322 280 Y C 0.762 176.654 175.900 -0.013 0.000 1.275 280 Y CA -0.689 57.393 58.100 -0.030 0.000 1.307 280 Y CB 0.795 39.234 38.460 -0.035 0.000 1.282 280 Y HN 0.243 nan 8.280 nan 0.000 0.509 281 Q N 1.831 121.701 119.800 0.116 0.000 2.388 281 Q HA 0.066 4.406 4.340 0.000 0.000 0.302 281 Q C -0.262 175.786 176.000 0.081 0.000 1.149 281 Q CA 0.042 55.884 55.803 0.065 0.000 1.014 281 Q CB -0.023 28.735 28.738 0.034 0.000 1.072 281 Q HN 0.711 nan 8.270 nan 0.000 0.395 282 A N 3.062 125.920 122.820 0.064 0.000 2.425 282 A HA 0.518 4.838 4.320 0.000 0.000 0.242 282 A C -0.029 177.579 177.584 0.040 0.000 1.077 282 A CA 0.226 52.295 52.037 0.054 0.000 0.781 282 A CB 0.489 19.516 19.000 0.044 0.000 1.020 282 A HN 0.752 nan 8.150 nan 0.000 0.494 283 A N 0.889 123.731 122.820 0.036 0.000 2.309 283 A HA 0.624 4.944 4.320 0.000 0.000 0.298 283 A C 0.396 177.991 177.584 0.018 0.000 1.165 283 A CA 0.137 52.190 52.037 0.026 0.000 0.821 283 A CB 0.394 19.410 19.000 0.026 0.000 1.102 283 A HN 2.073 nan 8.150 nan 0.000 0.500 284 A N 4.529 127.356 122.820 0.012 0.000 2.412 284 A HA 0.617 4.937 4.320 0.000 0.000 0.334 284 A C -1.016 176.569 177.584 0.002 0.000 1.419 284 A CA -1.144 50.897 52.037 0.006 0.000 0.930 284 A CB -0.589 18.414 19.000 0.005 0.000 1.149 284 A HN 0.824 nan 8.150 nan 0.000 0.515 285 P HA 0.392 nan 4.420 nan 0.000 0.333 285 P C 0.289 177.583 177.300 -0.011 0.000 1.343 285 P CA 0.281 63.376 63.100 -0.008 0.000 0.761 285 P CB 0.584 32.275 31.700 -0.014 0.000 1.701 286 T N -3.640 110.905 114.554 -0.016 0.000 2.992 286 T HA 0.398 4.748 4.350 0.000 0.000 0.255 286 T C 0.554 175.241 174.700 -0.022 0.000 0.938 286 T CA 0.449 62.539 62.100 -0.016 0.000 0.895 286 T CB -0.219 68.641 68.868 -0.014 0.000 1.221 286 T HN 0.974 nan 8.240 nan 0.000 0.512 287 G N 3.630 112.411 108.800 -0.031 0.000 2.825 287 G HA2 -0.103 3.857 3.960 0.000 0.000 0.684 287 G HA3 -0.103 3.857 3.960 0.000 0.000 0.684 287 G C -2.622 172.257 174.900 -0.036 0.000 1.528 287 G CA -0.562 44.514 45.100 -0.041 0.000 0.963 287 G HN 0.298 nan 8.290 nan 0.000 0.577 288 P HA 0.338 nan 4.420 nan 0.000 0.307 288 P C 1.438 178.684 177.300 -0.091 0.000 1.306 288 P CA -0.386 62.678 63.100 -0.061 0.000 0.742 288 P CB 0.665 32.337 31.700 -0.047 0.000 1.349 289 I N -0.206 120.285 120.570 -0.131 0.000 2.286 289 I HA -0.185 3.985 4.170 0.000 0.000 0.245 289 I C 2.327 178.275 176.117 -0.280 0.000 1.104 289 I CA 1.321 62.500 61.300 -0.201 0.000 1.397 289 I CB -0.858 36.993 38.000 -0.248 0.000 1.072 289 I HN 0.436 nan 8.210 nan 0.000 0.417 290 E N 1.608 121.644 120.200 -0.274 0.000 2.455 290 E HA -0.239 4.111 4.350 0.000 0.000 0.202 290 E C 1.062 177.603 176.600 -0.098 0.000 1.045 290 E CA 1.180 57.457 56.400 -0.205 0.000 0.872 290 E CB -0.298 29.389 29.700 -0.021 0.000 0.792 290 E HN 0.653 nan 8.360 nan 0.000 0.542 291 E N 0.104 120.252 120.200 -0.088 0.000 2.490 291 E HA 0.088 4.438 4.350 0.000 0.000 0.209 291 E C -0.102 176.468 176.600 -0.049 0.000 0.971 291 E CA -0.064 56.306 56.400 -0.051 0.000 0.988 291 E CB 0.389 30.068 29.700 -0.036 0.000 1.029 291 E HN 0.159 nan 8.360 nan 0.000 0.496 292 N N 1.021 119.680 118.700 -0.068 0.000 2.908 292 N HA 0.216 4.956 4.740 0.000 0.000 0.316 292 N C -1.222 174.257 175.510 -0.052 0.000 1.619 292 N CA 0.038 53.058 53.050 -0.049 0.000 1.045 292 N CB 0.574 39.035 38.487 -0.045 0.000 1.357 292 N HN -0.046 nan 8.380 nan 0.000 0.501 293 L N 0.901 122.095 121.223 -0.048 0.000 2.276 293 L HA 0.408 4.748 4.340 0.000 0.000 0.286 293 L C 0.734 177.596 176.870 -0.014 0.000 1.024 293 L CA -0.734 54.085 54.840 -0.035 0.000 0.826 293 L CB 0.982 43.020 42.059 -0.036 0.000 1.211 293 L HN 0.261 nan 8.230 nan 0.000 0.422 294 T N -2.369 112.182 114.554 -0.005 0.000 2.828 294 T HA 0.081 4.431 4.350 0.000 0.000 0.290 294 T C 0.863 175.565 174.700 0.003 0.000 1.019 294 T CA -0.726 61.376 62.100 0.002 0.000 1.031 294 T CB 1.112 69.985 68.868 0.009 0.000 1.001 294 T HN 0.503 nan 8.240 nan 0.000 0.531 295 D N 0.039 120.441 120.400 0.004 0.000 2.265 295 D HA -0.128 4.512 4.640 0.000 0.000 0.208 295 D C 1.662 177.965 176.300 0.005 0.000 0.977 295 D CA 1.116 55.117 54.000 0.003 0.000 0.871 295 D CB 0.138 40.940 40.800 0.004 0.000 0.925 295 D HN 0.826 nan 8.370 nan 0.000 0.485 296 E N 0.790 120.996 120.200 0.011 0.000 2.072 296 E HA -0.146 4.204 4.350 0.000 0.000 0.190 296 E C 1.397 178.006 176.600 0.016 0.000 0.982 296 E CA 0.702 57.112 56.400 0.017 0.000 0.803 296 E CB 0.287 30.002 29.700 0.025 0.000 0.755 296 E HN 0.097 nan 8.360 nan 0.000 0.453 297 D N 0.877 121.286 120.400 0.015 0.000 2.123 297 D HA -0.188 4.452 4.640 0.000 0.000 0.196 297 D C 2.159 178.452 176.300 -0.012 0.000 0.992 297 D CA 0.966 54.974 54.000 0.014 0.000 0.833 297 D CB -0.230 40.579 40.800 0.016 0.000 0.954 297 D HN 0.293 nan 8.370 nan 0.000 0.455 298 L N 0.975 122.190 121.223 -0.014 0.000 2.131 298 L HA -0.145 4.195 4.340 0.000 0.000 0.210 298 L C 2.254 179.095 176.870 -0.048 0.000 1.092 298 L CA 0.966 55.786 54.840 -0.033 0.000 0.759 298 L CB -0.533 41.514 42.059 -0.019 0.000 0.903 298 L HN 0.002 nan 8.230 nan 0.000 0.435 299 E N 0.471 120.656 120.200 -0.026 0.000 2.209 299 E HA -0.218 4.132 4.350 0.000 0.000 0.196 299 E C 2.241 178.817 176.600 -0.040 0.000 0.993 299 E CA 0.999 57.387 56.400 -0.021 0.000 0.819 299 E CB -0.181 29.522 29.700 0.005 0.000 0.745 299 E HN 0.550 nan 8.360 nan 0.000 0.477 300 L N 0.928 122.112 121.223 -0.066 0.000 2.291 300 L HA -0.125 4.215 4.340 0.000 0.000 0.214 300 L C 1.750 178.446 176.870 -0.291 0.000 1.120 300 L CA 0.500 55.265 54.840 -0.126 0.000 0.799 300 L CB -0.154 41.828 42.059 -0.127 0.000 0.925 300 L HN 0.005 nan 8.230 nan 0.000 0.446 301 D N -0.256 119.993 120.400 -0.252 0.000 2.218 301 D HA -0.128 4.512 4.640 0.000 0.000 0.204 301 D C 1.818 178.008 176.300 -0.183 0.000 0.976 301 D CA 1.884 55.723 54.000 -0.268 0.000 0.853 301 D CB 0.099 40.789 40.800 -0.184 0.000 0.939 301 D HN 0.409 nan 8.370 nan 0.000 0.481 302 T N -2.335 112.145 114.554 -0.122 0.000 3.132 302 T HA 0.207 4.557 4.350 0.000 0.000 0.274 302 T C 1.715 176.376 174.700 -0.066 0.000 1.011 302 T CA -0.327 61.724 62.100 -0.081 0.000 0.899 302 T CB -0.040 68.796 68.868 -0.053 0.000 1.089 302 T HN 0.023 nan 8.240 nan 0.000 0.543 303 L N 0.843 122.023 121.223 -0.071 0.000 2.027 303 L HA 0.204 4.544 4.340 0.000 0.000 0.206 303 L C 0.422 177.212 176.870 -0.133 0.000 1.074 303 L CA 0.919 55.730 54.840 -0.049 0.000 0.745 303 L CB -0.106 41.963 42.059 0.016 0.000 0.898 303 L HN 0.229 nan 8.230 nan 0.000 0.433 304 I N 1.639 122.110 120.570 -0.166 0.000 2.668 304 I HA 0.063 4.233 4.170 0.000 0.000 0.285 304 I C -1.781 174.253 176.117 -0.139 0.000 1.168 304 I CA -1.611 59.533 61.300 -0.261 0.000 1.424 304 I CB -0.596 37.318 38.000 -0.143 0.000 1.377 304 I HN 0.053 nan 8.210 nan 0.000 0.560 305 P HA 0.076 nan 4.420 nan 0.000 0.270 305 P C 0.453 177.743 177.300 -0.015 0.000 1.223 305 P CA -0.174 62.907 63.100 -0.032 0.000 0.785 305 P CB 0.881 32.589 31.700 0.014 0.000 0.923 306 D N -1.010 119.390 120.400 0.000 0.000 2.194 306 D HA -0.052 4.588 4.640 0.000 0.000 0.204 306 D C 0.641 176.954 176.300 0.021 0.000 0.964 306 D CA 1.004 55.009 54.000 0.007 0.000 0.846 306 D CB -0.048 40.756 40.800 0.007 0.000 0.962 306 D HN 0.221 nan 8.370 nan 0.000 0.490 307 S N 1.666 117.382 115.700 0.027 0.000 2.481 307 S HA 0.094 4.564 4.470 0.000 0.000 0.276 307 S C -1.317 173.313 174.600 0.050 0.000 1.247 307 S CA -1.348 56.875 58.200 0.039 0.000 1.053 307 S CB 1.347 64.572 63.200 0.041 0.000 0.925 307 S HN -0.058 nan 8.310 nan 0.000 0.491 308 P HA -0.113 nan 4.420 nan 0.000 0.219 308 P C 0.150 177.501 177.300 0.086 0.000 1.146 308 P CA 1.380 64.524 63.100 0.073 0.000 0.808 308 P CB -0.067 31.683 31.700 0.082 0.000 0.779 309 N N -1.510 117.239 118.700 0.081 0.000 2.171 309 N HA 0.046 4.786 4.740 0.000 0.000 0.212 309 N C 0.669 176.231 175.510 0.087 0.000 1.184 309 N CA -0.310 52.791 53.050 0.086 0.000 0.888 309 N CB 0.377 38.909 38.487 0.075 0.000 1.038 309 N HN 0.180 nan 8.380 nan 0.000 0.517 310 Q N 2.405 122.258 119.800 0.089 0.000 2.311 310 Q HA 0.160 4.500 4.340 0.000 0.000 0.272 310 Q C -2.439 173.649 176.000 0.147 0.000 1.012 310 Q CA -1.471 54.389 55.803 0.094 0.000 0.891 310 Q CB 0.733 29.519 28.738 0.079 0.000 1.201 310 Q HN -0.001 nan 8.270 nan 0.000 0.391 311 P HA 0.090 nan 4.420 nan 0.000 0.272 311 P C -1.655 175.773 177.300 0.214 0.000 1.240 311 P CA 0.124 63.295 63.100 0.118 0.000 0.791 311 P CB 0.322 32.045 31.700 0.038 0.000 0.978 312 Y N -2.262 118.048 120.300 0.016 0.000 2.521 312 Y HA 0.416 4.966 4.550 0.000 0.000 0.332 312 Y C -1.294 174.615 175.900 0.016 0.000 1.121 312 Y CA -1.395 56.718 58.100 0.021 0.000 1.037 312 Y CB 0.612 39.090 38.460 0.030 0.000 1.330 312 Y HN 0.165 nan 8.280 nan 0.000 0.452 313 D N 3.783 124.180 120.400 -0.005 0.000 2.343 313 D HA 0.046 4.686 4.640 0.000 0.000 0.255 313 D C 0.712 176.976 176.300 -0.060 0.000 1.187 313 D CA -0.034 53.928 54.000 -0.063 0.000 0.875 313 D CB 1.535 42.366 40.800 0.051 0.000 1.136 313 D HN 0.902 nan 8.370 nan 0.000 0.469 314 M N 3.974 123.442 119.600 -0.221 0.000 2.446 314 M HA -0.118 4.362 4.480 0.000 0.000 0.263 314 M C 1.190 177.398 176.300 -0.155 0.000 1.066 314 M CA 1.515 56.698 55.300 -0.195 0.000 1.087 314 M CB -0.487 31.929 32.600 -0.306 0.000 1.406 314 M HN 0.495 nan 8.290 nan 0.000 0.459 315 H N -0.388 118.623 119.070 -0.099 0.000 2.422 315 H HA -0.093 4.463 4.556 0.000 0.000 0.298 315 H C 1.799 177.096 175.328 -0.051 0.000 1.098 315 H CA 1.638 57.623 56.048 -0.106 0.000 1.315 315 H CB 0.143 29.863 29.762 -0.070 0.000 1.382 315 H HN 0.368 nan 8.280 nan 0.000 0.523 316 E N 0.079 120.357 120.200 0.129 0.000 2.204 316 E HA -0.110 4.240 4.350 0.000 0.000 0.195 316 E C 2.167 178.832 176.600 0.108 0.000 0.990 316 E CA 0.634 57.107 56.400 0.121 0.000 0.821 316 E CB 0.055 29.848 29.700 0.156 0.000 0.750 316 E HN 0.350 nan 8.360 nan 0.000 0.477 317 V N 0.711 120.681 119.914 0.094 0.000 2.599 317 V HA -0.102 4.018 4.120 0.000 0.000 0.245 317 V C 2.290 178.390 176.094 0.010 0.000 1.046 317 V CA 0.681 63.043 62.300 0.102 0.000 1.065 317 V CB -0.235 31.645 31.823 0.095 0.000 0.703 317 V HN 0.149 nan 8.190 nan 0.000 0.464 318 I N 0.538 121.043 120.570 -0.108 0.000 2.142 318 I HA -0.232 3.938 4.170 0.000 0.000 0.240 318 I C 2.577 178.626 176.117 -0.114 0.000 1.078 318 I CA 1.910 63.084 61.300 -0.209 0.000 1.343 318 I CB -0.810 36.880 38.000 -0.518 0.000 1.046 318 I HN 0.288 nan 8.210 nan 0.000 0.405 319 T N 0.556 115.076 114.554 -0.056 0.000 2.737 319 T HA -0.198 4.152 4.350 0.000 0.000 0.269 319 T C 1.967 176.687 174.700 0.034 0.000 1.040 319 T CA 1.374 63.481 62.100 0.012 0.000 1.142 319 T CB -0.288 68.608 68.868 0.048 0.000 0.861 319 T HN 0.331 nan 8.240 nan 0.000 0.456 320 R N 0.041 120.567 120.500 0.043 0.000 2.193 320 R HA 0.220 4.560 4.340 0.000 0.000 0.213 320 R C 2.256 178.594 176.300 0.063 0.000 1.055 320 R CA 0.460 56.595 56.100 0.058 0.000 0.995 320 R CB -0.200 30.144 30.300 0.073 0.000 0.893 320 R HN 0.374 nan 8.270 nan 0.000 0.459 321 L N 0.756 122.014 121.223 0.058 0.000 2.071 321 L HA 0.012 4.352 4.340 0.000 0.000 0.201 321 L C 0.621 177.528 176.870 0.062 0.000 1.076 321 L CA 0.316 55.197 54.840 0.068 0.000 0.755 321 L CB -0.380 41.715 42.059 0.061 0.000 0.915 321 L HN 0.085 nan 8.230 nan 0.000 0.445 322 L N -2.423 118.831 121.223 0.051 0.000 2.453 322 L HA 0.198 4.538 4.340 0.000 0.000 0.261 322 L C 0.272 177.183 176.870 0.069 0.000 1.179 322 L CA -0.275 54.608 54.840 0.072 0.000 0.813 322 L CB -0.317 41.802 42.059 0.099 0.000 1.110 322 L HN -0.059 nan 8.230 nan 0.000 0.466 323 D N 0.643 121.082 120.400 0.065 0.000 2.413 323 D HA 0.015 4.655 4.640 0.000 0.000 0.262 323 D C -0.645 175.686 176.300 0.053 0.000 1.254 323 D CA 0.652 54.681 54.000 0.048 0.000 0.942 323 D CB -1.054 39.760 40.800 0.024 0.000 0.937 323 D HN 0.645 nan 8.370 nan 0.000 0.508 324 D N 0.582 121.025 120.400 0.071 0.000 10.484 324 D HA -0.127 4.513 4.640 0.000 0.000 0.318 324 D C -0.140 176.221 176.300 0.102 0.000 3.002 324 D CA 1.043 55.092 54.000 0.081 0.000 2.679 324 D CB -0.067 40.770 40.800 0.062 0.000 1.149 324 D HN 0.233 nan 8.370 nan 0.000 0.891 325 E N 0.298 120.582 120.200 0.139 0.000 7.484 325 E HA -0.047 4.303 4.350 0.000 0.000 0.198 325 E C -2.066 174.690 176.600 0.260 0.000 0.894 325 E CA -0.059 56.439 56.400 0.164 0.000 1.682 325 E CB -0.923 28.848 29.700 0.118 0.000 0.895 325 E HN 0.358 nan 8.360 nan 0.000 0.264 326 F N 5.469 125.460 119.950 0.068 0.000 2.426 326 F HA 0.615 5.142 4.527 0.000 0.000 0.348 326 F C -0.898 174.912 175.800 0.017 0.000 1.124 326 F CA -1.359 56.667 58.000 0.043 0.000 1.008 326 F CB 0.968 40.004 39.000 0.061 0.000 1.139 326 F HN 0.439 nan 8.300 nan 0.000 0.452 327 L N 6.628 127.536 121.223 -0.526 0.000 2.315 327 L HA 0.344 4.684 4.340 0.000 0.000 0.278 327 L C -0.059 176.258 176.870 -0.922 0.000 1.088 327 L CA 0.103 54.609 54.840 -0.556 0.000 0.899 327 L CB 0.030 41.814 42.059 -0.458 0.000 1.277 327 L HN 0.664 nan 8.230 nan 0.000 0.431 328 E N 3.737 123.460 120.200 -0.795 0.000 2.354 328 E HA 0.236 4.586 4.350 0.000 0.000 0.269 328 E C -0.657 175.812 176.600 -0.219 0.000 1.036 328 E CA -0.570 55.429 56.400 -0.668 0.000 0.876 328 E CB 0.781 30.389 29.700 -0.155 0.000 1.009 328 E HN 0.450 nan 8.360 nan 0.000 0.416 329 I N 3.492 123.911 120.570 -0.252 0.000 2.437 329 I HA 0.042 4.212 4.170 0.000 0.000 0.298 329 I C 0.406 176.522 176.117 -0.001 0.000 0.984 329 I CA -0.182 61.095 61.300 -0.039 0.000 1.214 329 I CB 1.342 39.287 38.000 -0.092 0.000 1.365 329 I HN 0.799 nan 8.210 nan 0.000 0.469 330 Q N 2.882 122.726 119.800 0.074 0.000 2.406 330 Q HA -0.252 4.088 4.340 0.000 0.000 0.339 330 Q C 1.168 177.200 176.000 0.053 0.000 1.337 330 Q CA 0.639 56.466 55.803 0.040 0.000 0.985 330 Q CB -1.081 27.673 28.738 0.026 0.000 1.216 330 Q HN 0.822 nan 8.270 nan 0.000 0.415 331 A N -0.102 122.750 122.820 0.052 0.000 2.067 331 A HA 0.027 4.347 4.320 0.000 0.000 0.219 331 A C 1.742 179.331 177.584 0.008 0.000 1.158 331 A CA 1.373 53.438 52.037 0.046 0.000 0.661 331 A CB 0.113 19.159 19.000 0.078 0.000 0.801 331 A HN 0.626 nan 8.150 nan 0.000 0.452 332 G N -2.244 106.564 108.800 0.013 0.000 3.820 332 G HA2 0.412 4.372 3.960 0.000 0.000 0.293 332 G HA3 0.412 4.372 3.960 0.000 0.000 0.293 332 G C -0.477 174.454 174.900 0.052 0.000 1.152 332 G CA -0.111 44.982 45.100 -0.011 0.000 0.921 332 G HN 0.316 nan 8.290 nan 0.000 0.544 333 Y N -0.148 120.087 120.300 -0.109 0.000 2.470 333 Y HA 0.464 5.014 4.550 0.000 0.000 0.341 333 Y C 0.222 176.049 175.900 -0.122 0.000 1.021 333 Y CA -0.890 57.150 58.100 -0.100 0.000 1.025 333 Y CB 2.057 40.472 38.460 -0.076 0.000 1.266 333 Y HN 0.507 nan 8.280 nan 0.000 0.448 334 A N 4.701 127.094 122.820 -0.712 0.000 2.511 334 A HA -0.294 4.026 4.320 0.000 0.000 0.297 334 A C 1.071 178.427 177.584 -0.380 0.000 1.476 334 A CA 1.471 53.183 52.037 -0.542 0.000 0.757 334 A CB -1.789 16.898 19.000 -0.522 0.000 1.072 334 A HN 0.927 nan 8.150 nan 0.000 0.413 335 Q N 0.186 119.665 119.800 -0.535 0.000 2.449 335 Q HA -0.225 4.115 4.340 0.000 0.000 0.214 335 Q C 1.673 177.382 176.000 -0.484 0.000 0.986 335 Q CA 1.210 56.672 55.803 -0.569 0.000 0.893 335 Q CB -0.306 27.942 28.738 -0.817 0.000 0.940 335 Q HN 1.095 nan 8.270 nan 0.000 0.477 336 N N 0.594 119.068 118.700 -0.377 0.000 2.571 336 N HA -0.042 4.698 4.740 0.000 0.000 0.189 336 N C 0.305 175.743 175.510 -0.119 0.000 1.154 336 N CA 0.482 53.459 53.050 -0.122 0.000 0.907 336 N CB 0.289 38.802 38.487 0.043 0.000 0.977 336 N HN 0.271 nan 8.380 nan 0.000 0.449 337 I N -0.373 120.106 120.570 -0.153 0.000 2.722 337 I HA 0.284 4.454 4.170 0.000 0.000 0.292 337 I C -1.713 174.323 176.117 -0.135 0.000 1.267 337 I CA -0.879 60.342 61.300 -0.132 0.000 1.036 337 I CB 2.382 40.325 38.000 -0.095 0.000 1.281 337 I HN -0.315 nan 8.210 nan 0.000 0.423 338 V N 7.351 127.177 119.914 -0.147 0.000 2.448 338 V HA 0.632 4.752 4.120 0.000 0.000 0.295 338 V C -0.491 175.520 176.094 -0.139 0.000 1.025 338 V CA -0.527 61.694 62.300 -0.132 0.000 0.859 338 V CB 1.723 33.410 31.823 -0.226 0.000 0.988 338 V HN 0.513 nan 8.190 nan 0.000 0.431 339 V N 1.858 121.657 119.914 -0.192 0.000 2.876 339 V HA 1.152 5.272 4.120 0.000 0.000 0.312 339 V C -0.068 175.669 176.094 -0.595 0.000 1.085 339 V CA -0.047 61.947 62.300 -0.510 0.000 0.945 339 V CB 1.563 32.826 31.823 -0.933 0.000 1.017 339 V HN 1.305 nan 8.190 nan 0.000 0.428 340 G N 1.364 109.715 108.800 -0.748 0.000 2.313 340 G HA2 0.534 4.494 3.960 0.000 0.000 0.296 340 G HA3 0.534 4.494 3.960 0.000 0.000 0.296 340 G C -2.039 172.603 174.900 -0.430 0.000 1.356 340 G CA -0.753 43.854 45.100 -0.821 0.000 0.833 340 G HN 0.738 nan 8.290 nan 0.000 0.552 341 F N 0.182 119.883 119.950 -0.414 0.000 2.458 341 F HA 0.867 5.394 4.527 0.000 0.000 0.330 341 F C 0.987 176.476 175.800 -0.518 0.000 1.082 341 F CA 0.239 57.937 58.000 -0.502 0.000 0.995 341 F CB 2.178 40.536 39.000 -1.070 0.000 1.170 341 F HN 0.876 nan 8.300 nan 0.000 0.478 342 G N 1.522 110.328 108.800 0.010 0.000 2.619 342 G HA2 0.691 4.651 3.960 0.000 0.000 0.305 342 G HA3 0.691 4.651 3.960 0.000 0.000 0.305 342 G C -1.726 173.385 174.900 0.353 0.000 1.330 342 G CA -1.098 44.163 45.100 0.267 0.000 0.789 342 G HN 0.474 nan 8.290 nan 0.000 0.487 343 R N -0.912 119.738 120.500 0.251 0.000 2.744 343 R HA 0.658 4.998 4.340 0.000 0.000 0.279 343 R C -1.201 175.155 176.300 0.095 0.000 0.977 343 R CA -0.761 55.423 56.100 0.141 0.000 0.906 343 R CB 2.572 32.865 30.300 -0.012 0.000 1.197 343 R HN 0.373 nan 8.270 nan 0.000 0.463 344 I N 1.780 122.400 120.570 0.084 0.000 2.468 344 I HA 0.119 4.289 4.170 0.000 0.000 0.285 344 I C -0.487 175.667 176.117 0.062 0.000 1.039 344 I CA -0.410 60.935 61.300 0.075 0.000 1.074 344 I CB 1.905 39.958 38.000 0.088 0.000 1.228 344 I HN 0.708 nan 8.210 nan 0.000 0.436 345 D N 5.073 125.504 120.400 0.052 0.000 2.837 345 D HA -0.192 4.448 4.640 0.000 0.000 0.230 345 D C 1.132 177.463 176.300 0.053 0.000 1.152 345 D CA 1.760 55.789 54.000 0.048 0.000 0.736 345 D CB -0.691 40.138 40.800 0.047 0.000 1.084 345 D HN 1.133 nan 8.370 nan 0.000 0.429 346 G N -0.739 108.085 108.800 0.041 0.000 2.205 346 G HA2 -0.388 3.572 3.960 0.000 0.000 0.261 346 G HA3 -0.388 3.572 3.960 0.000 0.000 0.261 346 G C 0.430 175.355 174.900 0.042 0.000 0.980 346 G CA 0.530 45.657 45.100 0.046 0.000 0.632 346 G HN 0.601 nan 8.290 nan 0.000 0.533 347 R N 1.039 121.570 120.500 0.053 0.000 2.297 347 R HA 0.489 4.829 4.340 0.000 0.000 0.308 347 R C -2.631 173.723 176.300 0.090 0.000 1.029 347 R CA -1.817 54.325 56.100 0.069 0.000 0.929 347 R CB 0.998 31.341 30.300 0.072 0.000 1.046 347 R HN 0.104 nan 8.270 nan 0.000 0.461 348 P HA 0.041 nan 4.420 nan 0.000 0.276 348 P C -0.993 176.418 177.300 0.184 0.000 1.230 348 P CA -0.296 62.918 63.100 0.190 0.000 0.776 348 P CB 1.031 32.828 31.700 0.163 0.000 0.888 349 V N 0.364 120.419 119.914 0.236 0.000 3.049 349 V HA 0.904 5.024 4.120 0.000 0.000 0.309 349 V C -0.148 176.158 176.094 0.353 0.000 1.148 349 V CA -1.120 61.322 62.300 0.236 0.000 0.990 349 V CB 1.958 33.892 31.823 0.186 0.000 1.039 349 V HN 0.558 nan 8.190 nan 0.000 0.430 350 G N 3.519 112.526 108.800 0.344 0.000 2.377 350 G HA2 0.608 4.568 3.960 0.000 0.000 0.316 350 G HA3 0.608 4.568 3.960 0.000 0.000 0.316 350 G C -0.509 174.630 174.900 0.399 0.000 1.115 350 G CA -0.525 44.844 45.100 0.448 0.000 0.952 350 G HN 0.590 nan 8.290 nan 0.000 0.441 351 I N 2.704 123.491 120.570 0.362 0.000 2.395 351 I HA 0.239 4.409 4.170 0.000 0.000 0.289 351 I C -0.194 176.007 176.117 0.140 0.000 1.023 351 I CA -0.495 60.931 61.300 0.210 0.000 1.350 351 I CB 1.484 39.572 38.000 0.147 0.000 1.409 351 I HN 0.042 nan 8.210 nan 0.000 0.507 352 V N 6.254 126.224 119.914 0.093 0.000 2.445 352 V HA 0.677 4.797 4.120 0.000 0.000 0.283 352 V C 0.053 176.120 176.094 -0.046 0.000 1.014 352 V CA -0.492 61.830 62.300 0.037 0.000 0.852 352 V CB 1.375 33.287 31.823 0.147 0.000 1.021 352 V HN 0.887 nan 8.190 nan 0.000 0.435 353 A N 4.152 126.904 122.820 -0.114 0.000 2.469 353 A HA 0.865 5.185 4.320 0.000 0.000 0.299 353 A C -0.518 176.961 177.584 -0.175 0.000 1.098 353 A CA -0.834 51.106 52.037 -0.161 0.000 0.737 353 A CB 1.432 20.305 19.000 -0.212 0.000 1.312 353 A HN 0.736 nan 8.150 nan 0.000 0.414 354 N N 0.220 118.809 118.700 -0.186 0.000 2.463 354 N HA 0.487 5.227 4.740 0.000 0.000 0.270 354 N C -0.513 174.869 175.510 -0.214 0.000 1.205 354 N CA -0.315 52.626 53.050 -0.181 0.000 0.974 354 N CB 0.681 39.063 38.487 -0.176 0.000 1.197 354 N HN 0.594 nan 8.380 nan 0.000 0.504 355 Q N 0.986 120.671 119.800 -0.191 0.000 2.413 355 Q HA 0.392 4.732 4.340 0.000 0.000 0.258 355 Q C -2.396 173.486 176.000 -0.198 0.000 1.037 355 Q CA -2.112 53.565 55.803 -0.210 0.000 0.764 355 Q CB 1.586 30.227 28.738 -0.163 0.000 1.217 355 Q HN 0.324 nan 8.270 nan 0.000 0.490 356 P HA -0.091 nan 4.420 nan 0.000 0.228 356 P C 0.375 177.570 177.300 -0.176 0.000 1.151 356 P CA 1.179 64.106 63.100 -0.288 0.000 0.770 356 P CB 0.287 31.626 31.700 -0.602 0.000 0.786 357 T N -5.958 108.502 114.554 -0.156 0.000 3.188 357 T HA 0.070 4.420 4.350 0.000 0.000 0.250 357 T C 0.098 174.790 174.700 -0.013 0.000 1.077 357 T CA -0.005 62.053 62.100 -0.070 0.000 0.967 357 T CB -0.823 68.013 68.868 -0.054 0.000 1.006 357 T HN 0.088 nan 8.240 nan 0.000 0.552 358 H N -0.375 118.595 119.070 -0.168 0.000 3.240 358 H HA 0.383 4.939 4.556 0.000 0.000 0.326 358 H C -0.474 174.750 175.328 -0.173 0.000 1.015 358 H CA -1.574 54.303 56.048 -0.284 0.000 1.504 358 H CB 0.075 29.587 29.762 -0.418 0.000 1.754 358 H HN 0.203 nan 8.280 nan 0.000 0.505 359 F N 3.083 122.880 119.950 -0.256 0.000 3.057 359 F HA -0.332 4.195 4.527 0.000 0.000 0.287 359 F C 1.334 177.076 175.800 -0.097 0.000 0.834 359 F CA 0.274 58.172 58.000 -0.169 0.000 1.147 359 F CB -1.613 37.306 39.000 -0.136 0.000 1.245 359 F HN 0.828 nan 8.300 nan 0.000 0.509 360 A N -1.069 121.800 122.820 0.082 0.000 2.829 360 A HA -0.021 4.299 4.320 0.000 0.000 0.267 360 A C 1.868 179.442 177.584 -0.016 0.000 1.370 360 A CA 2.021 54.072 52.037 0.022 0.000 0.900 360 A CB -1.908 17.115 19.000 0.038 0.000 1.044 360 A HN 2.393 nan 8.150 nan 0.000 0.691 361 G N -3.682 105.111 108.800 -0.012 0.000 2.176 361 G HA2 -0.131 3.829 3.960 0.000 0.000 0.232 361 G HA3 -0.131 3.829 3.960 0.000 0.000 0.232 361 G C 0.793 175.661 174.900 -0.054 0.000 0.986 361 G CA 0.406 45.466 45.100 -0.065 0.000 0.643 361 G HN 1.683 nan 8.290 nan 0.000 0.522 362 C N 0.583 119.888 119.300 0.008 0.000 2.746 362 C HA 0.444 4.904 4.460 0.000 0.000 0.403 362 C C 1.320 176.272 174.990 -0.062 0.000 1.270 362 C CA 0.212 59.207 59.018 -0.038 0.000 1.978 362 C CB -0.245 27.503 27.740 0.013 0.000 2.724 362 C HN 0.501 nan 8.230 nan 0.000 0.678 363 L N 3.153 124.237 121.223 -0.231 0.000 2.334 363 L HA 0.533 4.873 4.340 0.000 0.000 0.275 363 L C -0.105 176.768 176.870 0.005 0.000 1.036 363 L CA 0.011 54.723 54.840 -0.213 0.000 0.807 363 L CB 1.297 43.022 42.059 -0.557 0.000 1.231 363 L HN 0.792 nan 8.230 nan 0.000 0.438 364 D N 1.331 121.791 120.400 0.099 0.000 2.652 364 D HA 0.294 4.934 4.640 0.000 0.000 0.285 364 D C 0.919 177.304 176.300 0.142 0.000 1.173 364 D CA -0.718 53.375 54.000 0.155 0.000 0.981 364 D CB 0.823 41.704 40.800 0.134 0.000 1.440 364 D HN 0.313 nan 8.370 nan 0.000 0.485 365 I N 0.494 121.137 120.570 0.122 0.000 2.065 365 I HA -0.400 3.770 4.170 0.000 0.000 0.236 365 I C 2.070 178.250 176.117 0.104 0.000 1.028 365 I CA 1.880 63.246 61.300 0.109 0.000 1.299 365 I CB -0.717 37.336 38.000 0.089 0.000 1.015 365 I HN 0.445 nan 8.210 nan 0.000 0.396 366 N N 0.601 119.346 118.700 0.074 0.000 2.036 366 N HA -0.228 4.512 4.740 0.000 0.000 0.195 366 N C 1.958 177.491 175.510 0.039 0.000 1.037 366 N CA 1.365 54.444 53.050 0.048 0.000 0.855 366 N CB -0.294 38.067 38.487 -0.210 0.000 1.033 366 N HN 0.420 nan 8.380 nan 0.000 0.423 367 A N 0.912 123.722 122.820 -0.017 0.000 1.908 367 A HA -0.174 4.146 4.320 0.000 0.000 0.218 367 A C 2.418 180.034 177.584 0.054 0.000 1.181 367 A CA 1.740 53.773 52.037 -0.007 0.000 0.627 367 A CB -0.719 18.271 19.000 -0.018 0.000 0.818 367 A HN 0.225 nan 8.150 nan 0.000 0.445 368 S N -0.437 115.312 115.700 0.082 0.000 2.353 368 S HA -0.198 4.272 4.470 0.000 0.000 0.222 368 S C 1.903 176.579 174.600 0.126 0.000 1.035 368 S CA 1.647 59.912 58.200 0.109 0.000 1.025 368 S CB -0.375 62.913 63.200 0.147 0.000 0.902 368 S HN 0.708 nan 8.310 nan 0.000 0.440 369 E N 0.834 121.116 120.200 0.137 0.000 2.077 369 E HA -0.188 4.162 4.350 0.000 0.000 0.193 369 E C 2.170 178.867 176.600 0.163 0.000 0.989 369 E CA 0.951 57.438 56.400 0.144 0.000 0.800 369 E CB -0.126 29.663 29.700 0.148 0.000 0.746 369 E HN 0.409 nan 8.360 nan 0.000 0.452 370 K N 0.749 121.263 120.400 0.191 0.000 2.074 370 K HA -0.203 4.117 4.320 0.000 0.000 0.209 370 K C 2.058 178.762 176.600 0.174 0.000 1.048 370 K CA 1.454 57.856 56.287 0.193 0.000 0.926 370 K CB -0.102 32.524 32.500 0.211 0.000 0.713 370 K HN 0.086 nan 8.250 nan 0.000 0.444 371 A N 0.884 123.794 122.820 0.150 0.000 1.874 371 A HA 0.039 4.359 4.320 0.000 0.000 0.214 371 A C 2.345 180.071 177.584 0.237 0.000 1.189 371 A CA 1.467 53.615 52.037 0.184 0.000 0.615 371 A CB -0.856 18.215 19.000 0.118 0.000 0.830 371 A HN 0.478 nan 8.150 nan 0.000 0.443 372 A N 0.295 123.227 122.820 0.187 0.000 1.869 372 A HA -0.292 4.028 4.320 0.000 0.000 0.218 372 A C 2.205 179.898 177.584 0.182 0.000 1.203 372 A CA 2.645 54.791 52.037 0.181 0.000 0.638 372 A CB -0.616 18.479 19.000 0.157 0.000 0.831 372 A HN 0.498 nan 8.150 nan 0.000 0.450 373 R N -1.343 119.264 120.500 0.178 0.000 2.091 373 R HA -0.148 4.192 4.340 0.000 0.000 0.238 373 R C 1.856 178.273 176.300 0.196 0.000 1.136 373 R CA 2.034 58.232 56.100 0.163 0.000 0.959 373 R CB -0.875 29.524 30.300 0.164 0.000 0.856 373 R HN 0.513 nan 8.270 nan 0.000 0.437 374 F N 0.003 120.021 119.950 0.112 0.000 2.095 374 F HA -0.171 4.356 4.527 0.000 0.000 0.298 374 F C 1.870 177.740 175.800 0.116 0.000 1.104 374 F CA 1.629 59.696 58.000 0.112 0.000 1.232 374 F CB -0.484 38.561 39.000 0.075 0.000 0.987 374 F HN -0.118 nan 8.300 nan 0.000 0.475 375 V N 1.124 121.115 119.914 0.128 0.000 2.287 375 V HA -0.321 3.799 4.120 0.000 0.000 0.248 375 V C 2.555 178.630 176.094 -0.031 0.000 1.053 375 V CA 2.324 64.645 62.300 0.036 0.000 1.027 375 V CB -0.725 31.193 31.823 0.159 0.000 0.646 375 V HN 0.287 nan 8.190 nan 0.000 0.447 376 R N -0.280 120.234 120.500 0.023 0.000 2.091 376 R HA -0.151 4.189 4.340 0.000 0.000 0.238 376 R C 2.384 178.659 176.300 -0.042 0.000 1.136 376 R CA 1.952 58.054 56.100 0.003 0.000 0.959 376 R CB -0.827 29.500 30.300 0.045 0.000 0.856 376 R HN 0.542 nan 8.270 nan 0.000 0.437 377 T N 0.657 115.192 114.554 -0.032 0.000 2.674 377 T HA -0.196 4.154 4.350 0.000 0.000 0.265 377 T C 2.156 176.899 174.700 0.072 0.000 1.039 377 T CA 1.462 63.581 62.100 0.031 0.000 1.150 377 T CB -0.465 68.423 68.868 0.034 0.000 0.864 377 T HN 0.344 nan 8.240 nan 0.000 0.427 378 C N 1.340 120.589 119.300 -0.085 0.000 2.398 378 C HA -0.144 4.316 4.460 0.000 0.000 0.276 378 C C 2.677 177.669 174.990 0.004 0.000 1.222 378 C CA 0.939 59.948 59.018 -0.014 0.000 1.746 378 C CB -1.144 26.513 27.740 -0.139 0.000 2.039 378 C HN 0.650 nan 8.230 nan 0.000 0.470 379 D N -0.605 119.757 120.400 -0.063 0.000 2.123 379 D HA -0.144 4.496 4.640 0.000 0.000 0.196 379 D C 2.077 178.289 176.300 -0.147 0.000 0.992 379 D CA 1.422 55.369 54.000 -0.089 0.000 0.833 379 D CB -0.299 40.441 40.800 -0.100 0.000 0.954 379 D HN 0.481 nan 8.370 nan 0.000 0.455 380 C N -0.582 118.572 119.300 -0.244 0.000 2.398 380 C HA -0.144 4.316 4.460 0.000 0.000 0.276 380 C C 1.631 176.190 174.990 -0.717 0.000 1.222 380 C CA 0.652 59.329 59.018 -0.569 0.000 1.746 380 C CB -1.259 25.928 27.740 -0.921 0.000 2.039 380 C HN 0.322 nan 8.230 nan 0.000 0.470 381 F N 1.209 121.153 119.950 -0.010 0.000 2.925 381 F HA 0.279 4.806 4.527 0.000 0.000 0.302 381 F C 0.620 176.414 175.800 -0.011 0.000 1.189 381 F CA -0.313 57.684 58.000 -0.006 0.000 1.346 381 F CB -0.845 38.156 39.000 0.003 0.000 0.954 381 F HN 0.183 nan 8.300 nan 0.000 0.506 382 N N 1.500 120.236 118.700 0.061 0.000 2.705 382 N HA -0.201 4.539 4.740 0.000 0.000 0.255 382 N C -0.806 174.742 175.510 0.064 0.000 1.008 382 N CA 0.540 53.615 53.050 0.042 0.000 0.742 382 N CB -1.105 37.406 38.487 0.039 0.000 0.906 382 N HN 0.240 nan 8.380 nan 0.000 0.541 383 I N 0.312 120.926 120.570 0.074 0.000 2.330 383 I HA 0.297 4.467 4.170 0.000 0.000 0.289 383 I C -1.977 174.189 176.117 0.081 0.000 1.001 383 I CA -2.210 59.146 61.300 0.093 0.000 1.193 383 I CB 1.094 39.181 38.000 0.144 0.000 1.345 383 I HN -0.255 nan 8.210 nan 0.000 0.461 384 P HA 0.125 nan 4.420 nan 0.000 0.265 384 P C -0.291 177.068 177.300 0.100 0.000 1.187 384 P CA 0.291 63.434 63.100 0.073 0.000 0.766 384 P CB 0.571 32.320 31.700 0.081 0.000 0.820 385 I N 3.215 123.832 120.570 0.078 0.000 2.306 385 I HA 0.165 4.335 4.170 0.000 0.000 0.288 385 I C -0.289 175.914 176.117 0.144 0.000 1.036 385 I CA -0.646 60.727 61.300 0.121 0.000 1.221 385 I CB 1.040 39.096 38.000 0.093 0.000 1.385 385 I HN -0.031 nan 8.210 nan 0.000 0.472 386 V N 7.601 127.606 119.914 0.151 0.000 2.370 386 V HA 0.399 4.519 4.120 0.000 0.000 0.279 386 V C 0.173 176.320 176.094 0.088 0.000 1.029 386 V CA -0.358 62.010 62.300 0.113 0.000 0.870 386 V CB 1.501 33.383 31.823 0.099 0.000 0.984 386 V HN 0.668 nan 8.190 nan 0.000 0.451 387 M N 5.790 125.421 119.600 0.052 0.000 2.227 387 M HA 0.535 5.015 4.480 0.000 0.000 0.335 387 M C -1.122 175.129 176.300 -0.082 0.000 1.053 387 M CA -0.478 54.818 55.300 -0.005 0.000 0.973 387 M CB 1.746 34.338 32.600 -0.014 0.000 1.623 387 M HN 0.459 nan 8.290 nan 0.000 0.434 388 L N 5.053 126.202 121.223 -0.122 0.000 2.272 388 L HA 0.436 4.776 4.340 0.000 0.000 0.284 388 L C -0.565 176.182 176.870 -0.206 0.000 1.045 388 L CA -0.799 53.926 54.840 -0.191 0.000 0.842 388 L CB 0.813 42.749 42.059 -0.206 0.000 1.224 388 L HN 0.377 nan 8.230 nan 0.000 0.430 389 V N 2.246 122.030 119.914 -0.217 0.000 2.607 389 V HA 0.257 4.377 4.120 0.000 0.000 0.289 389 V C 0.234 176.210 176.094 -0.196 0.000 1.053 389 V CA 0.069 62.252 62.300 -0.194 0.000 0.996 389 V CB 1.597 33.319 31.823 -0.168 0.000 0.995 389 V HN 0.762 nan 8.190 nan 0.000 0.476 390 D N 2.147 122.439 120.400 -0.179 0.000 3.617 390 D HA -0.024 4.616 4.640 0.000 0.000 0.264 390 D C -0.895 175.301 176.300 -0.173 0.000 1.579 390 D CA -0.096 53.807 54.000 -0.162 0.000 0.817 390 D CB 0.526 41.250 40.800 -0.126 0.000 1.516 390 D HN 0.342 nan 8.370 nan 0.000 0.619 391 V N 2.340 122.139 119.914 -0.191 0.000 2.407 391 V HA 0.534 4.654 4.120 0.000 0.000 0.278 391 V C -1.620 174.353 176.094 -0.202 0.000 1.037 391 V CA -1.750 60.437 62.300 -0.187 0.000 0.900 391 V CB 1.924 33.615 31.823 -0.220 0.000 0.983 391 V HN -0.038 nan 8.190 nan 0.000 0.459 392 P HA 0.257 nan 4.420 nan 0.000 0.241 392 P C 0.595 177.992 177.300 0.162 0.000 1.191 392 P CA 1.358 64.460 63.100 0.002 0.000 0.771 392 P CB 0.365 32.110 31.700 0.075 0.000 0.929 393 G N -0.643 108.160 108.800 0.005 0.000 2.334 393 G HA2 0.146 4.106 3.960 0.000 0.000 0.249 393 G HA3 0.146 4.106 3.960 0.000 0.000 0.249 393 G C -1.800 173.002 174.900 -0.162 0.000 1.327 393 G CA -0.864 44.256 45.100 0.034 0.000 0.979 393 G HN -0.024 nan 8.290 nan 0.000 0.471 394 F N 0.070 120.032 119.950 0.021 0.000 2.480 394 F HA 0.668 5.195 4.527 0.000 0.000 0.329 394 F C 0.520 176.300 175.800 -0.033 0.000 1.091 394 F CA -0.725 57.273 58.000 -0.002 0.000 0.972 394 F CB 1.903 40.899 39.000 -0.008 0.000 1.150 394 F HN 0.399 nan 8.300 nan 0.000 0.467 395 L N 5.964 127.244 121.223 0.095 0.000 2.597 395 L HA 0.256 4.596 4.340 0.000 0.000 0.271 395 L C -2.289 174.555 176.870 -0.043 0.000 1.157 395 L CA -1.258 53.549 54.840 -0.056 0.000 0.928 395 L CB -0.479 41.472 42.059 -0.180 0.000 1.216 395 L HN 0.316 nan 8.230 nan 0.000 0.481 396 P HA 0.550 nan 4.420 nan 0.000 0.272 396 P C -0.644 176.596 177.300 -0.101 0.000 1.223 396 P CA -0.291 62.771 63.100 -0.064 0.000 0.784 396 P CB 0.954 32.621 31.700 -0.055 0.000 0.923 397 G N -0.438 108.299 108.800 -0.105 0.000 2.277 397 G HA2 0.167 4.127 3.960 0.000 0.000 0.272 397 G HA3 0.167 4.127 3.960 0.000 0.000 0.272 397 G C 0.599 175.396 174.900 -0.171 0.000 1.692 397 G CA -0.067 44.961 45.100 -0.120 0.000 0.926 397 G HN 0.514 nan 8.290 nan 0.000 0.720 398 T N -1.270 113.160 114.554 -0.207 0.000 2.759 398 T HA -0.113 4.237 4.350 0.000 0.000 0.269 398 T C 1.513 175.933 174.700 -0.467 0.000 1.042 398 T CA 2.237 64.079 62.100 -0.430 0.000 1.140 398 T CB -0.152 68.507 68.868 -0.350 0.000 0.864 398 T HN 0.411 nan 8.240 nan 0.000 0.455 399 D N 1.083 121.389 120.400 -0.156 0.000 2.123 399 D HA -0.113 4.527 4.640 0.000 0.000 0.196 399 D C 2.480 178.759 176.300 -0.035 0.000 0.992 399 D CA 1.067 55.058 54.000 -0.016 0.000 0.833 399 D CB -0.217 40.598 40.800 0.024 0.000 0.954 399 D HN 0.378 nan 8.370 nan 0.000 0.455 400 Q N 0.572 120.328 119.800 -0.073 0.000 2.112 400 Q HA -0.158 4.182 4.340 0.000 0.000 0.206 400 Q C 2.054 178.017 176.000 -0.062 0.000 0.987 400 Q CA 1.013 56.789 55.803 -0.044 0.000 0.858 400 Q CB -0.124 28.587 28.738 -0.046 0.000 0.905 400 Q HN 0.408 nan 8.270 nan 0.000 0.420 401 E N -0.218 119.887 120.200 -0.159 0.000 2.006 401 E HA -0.131 4.219 4.350 0.000 0.000 0.192 401 E C 2.082 178.666 176.600 -0.026 0.000 0.993 401 E CA 0.852 57.157 56.400 -0.159 0.000 0.808 401 E CB -0.432 29.085 29.700 -0.304 0.000 0.764 401 E HN 0.380 nan 8.360 nan 0.000 0.449 402 Y N 1.304 121.601 120.300 -0.006 0.000 2.181 402 Y HA -0.182 4.368 4.550 0.000 0.000 0.284 402 Y C 1.968 177.870 175.900 0.003 0.000 1.179 402 Y CA 1.131 59.230 58.100 -0.002 0.000 1.179 402 Y CB -1.106 37.354 38.460 -0.001 0.000 0.973 402 Y HN 0.172 nan 8.280 nan 0.000 0.519 403 N N -0.915 117.884 118.700 0.165 0.000 2.521 403 N HA 0.162 4.902 4.740 0.000 0.000 0.188 403 N C 0.537 176.091 175.510 0.074 0.000 1.146 403 N CA 0.531 53.643 53.050 0.104 0.000 0.893 403 N CB 0.050 38.587 38.487 0.084 0.000 0.975 403 N HN 0.368 nan 8.380 nan 0.000 0.451 404 G N 1.262 110.101 108.800 0.064 0.000 2.756 404 G HA2 -0.209 3.751 3.960 0.000 0.000 0.272 404 G HA3 -0.209 3.751 3.960 0.000 0.000 0.272 404 G C 0.455 175.371 174.900 0.027 0.000 1.128 404 G CA -0.246 44.878 45.100 0.041 0.000 1.145 404 G HN 0.260 nan 8.290 nan 0.000 0.545 405 I N 0.602 121.175 120.570 0.004 0.000 2.333 405 I HA 0.120 4.290 4.170 0.000 0.000 0.246 405 I C 2.422 178.518 176.117 -0.035 0.000 1.106 405 I CA 1.093 62.392 61.300 -0.003 0.000 1.411 405 I CB -0.233 37.750 38.000 -0.029 0.000 1.082 405 I HN 0.524 nan 8.210 nan 0.000 0.420 406 I N 0.568 121.101 120.570 -0.062 0.000 2.127 406 I HA -0.325 3.845 4.170 0.000 0.000 0.241 406 I C 2.748 178.848 176.117 -0.030 0.000 1.075 406 I CA 1.908 63.163 61.300 -0.076 0.000 1.334 406 I CB -0.629 37.332 38.000 -0.064 0.000 1.040 406 I HN 0.260 nan 8.210 nan 0.000 0.405 407 R N 1.175 121.671 120.500 -0.006 0.000 2.070 407 R HA -0.129 4.211 4.340 0.000 0.000 0.233 407 R C 2.523 178.837 176.300 0.023 0.000 1.137 407 R CA 1.463 57.569 56.100 0.009 0.000 0.945 407 R CB -0.111 30.197 30.300 0.012 0.000 0.845 407 R HN 0.248 nan 8.270 nan 0.000 0.430 408 R N -0.558 119.962 120.500 0.034 0.000 2.115 408 R HA -0.008 4.332 4.340 0.000 0.000 0.226 408 R C 2.304 178.650 176.300 0.078 0.000 1.100 408 R CA 1.081 57.214 56.100 0.055 0.000 0.980 408 R CB -0.311 30.028 30.300 0.065 0.000 0.875 408 R HN 0.423 nan 8.270 nan 0.000 0.445 409 G N 1.265 110.109 108.800 0.073 0.000 2.408 409 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 409 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 409 G C 1.610 176.579 174.900 0.116 0.000 1.150 409 G CA 0.737 45.909 45.100 0.119 0.000 0.776 409 G HN 0.369 nan 8.290 nan 0.000 0.542 410 A N 1.210 124.075 122.820 0.075 0.000 1.986 410 A HA -0.123 4.197 4.320 0.000 0.000 0.220 410 A C 2.275 179.944 177.584 0.142 0.000 1.171 410 A CA 2.099 54.193 52.037 0.094 0.000 0.640 410 A CB -0.405 18.638 19.000 0.072 0.000 0.811 410 A HN 0.434 nan 8.150 nan 0.000 0.451 411 K N -0.565 119.910 120.400 0.124 0.000 2.089 411 K HA -0.164 4.156 4.320 0.000 0.000 0.210 411 K C 1.926 178.640 176.600 0.189 0.000 1.048 411 K CA 1.539 57.914 56.287 0.146 0.000 0.926 411 K CB -0.479 32.082 32.500 0.102 0.000 0.714 411 K HN 0.526 nan 8.250 nan 0.000 0.448 412 L N 1.168 122.488 121.223 0.162 0.000 2.083 412 L HA -0.175 4.165 4.340 0.000 0.000 0.209 412 L C 2.283 179.249 176.870 0.160 0.000 1.083 412 L CA 1.048 55.981 54.840 0.157 0.000 0.752 412 L CB -0.136 41.997 42.059 0.123 0.000 0.899 412 L HN 0.266 nan 8.230 nan 0.000 0.433 413 L N -1.575 119.737 121.223 0.148 0.000 1.976 413 L HA -0.309 4.031 4.340 0.000 0.000 0.209 413 L C 2.505 179.459 176.870 0.140 0.000 1.071 413 L CA 1.619 56.531 54.840 0.121 0.000 0.746 413 L CB -0.678 41.442 42.059 0.101 0.000 0.890 413 L HN 0.232 nan 8.230 nan 0.000 0.432 414 Y N 0.437 120.781 120.300 0.074 0.000 2.040 414 Y HA -0.412 4.138 4.550 0.000 0.000 0.275 414 Y C 2.486 178.428 175.900 0.070 0.000 1.171 414 Y CA 1.860 59.998 58.100 0.062 0.000 1.123 414 Y CB -0.487 38.003 38.460 0.049 0.000 0.963 414 Y HN 0.201 nan 8.280 nan 0.000 0.493 415 A N -0.449 122.532 122.820 0.270 0.000 1.869 415 A HA -0.331 3.989 4.320 0.000 0.000 0.218 415 A C 2.178 179.804 177.584 0.070 0.000 1.203 415 A CA 2.159 54.305 52.037 0.181 0.000 0.638 415 A CB -1.786 17.332 19.000 0.196 0.000 0.831 415 A HN 0.729 nan 8.150 nan 0.000 0.450 416 Y N 0.352 120.649 120.300 -0.005 0.000 2.089 416 Y HA -0.079 4.471 4.550 0.000 0.000 0.282 416 Y C 2.652 178.502 175.900 -0.083 0.000 1.139 416 Y CA 1.837 59.917 58.100 -0.034 0.000 1.123 416 Y CB -0.839 37.605 38.460 -0.027 0.000 0.980 416 Y HN 0.272 nan 8.280 nan 0.000 0.493 417 G N -0.560 108.278 108.800 0.063 0.000 2.475 417 G HA2 -0.367 3.593 3.960 0.000 0.000 0.220 417 G HA3 -0.367 3.593 3.960 0.000 0.000 0.220 417 G C 1.523 176.307 174.900 -0.194 0.000 1.125 417 G CA 1.193 46.254 45.100 -0.064 0.000 0.755 417 G HN 0.571 nan 8.290 nan 0.000 0.565 418 E N 0.559 120.598 120.200 -0.269 0.000 2.076 418 E HA 0.246 4.596 4.350 0.000 0.000 0.190 418 E C 1.734 178.224 176.600 -0.183 0.000 0.979 418 E CA 0.277 56.519 56.400 -0.264 0.000 0.807 418 E CB -0.214 29.300 29.700 -0.310 0.000 0.761 418 E HN 0.334 nan 8.360 nan 0.000 0.454 419 A N 0.535 123.237 122.820 -0.197 0.000 2.613 419 A HA -0.034 4.286 4.320 0.000 0.000 0.230 419 A C 0.910 178.379 177.584 -0.192 0.000 1.051 419 A CA 1.098 53.013 52.037 -0.203 0.000 0.754 419 A CB 0.076 18.905 19.000 -0.285 0.000 0.979 419 A HN 0.465 nan 8.150 nan 0.000 0.510 420 T N -1.158 113.311 114.554 -0.142 0.000 3.058 420 T HA 0.350 4.700 4.350 0.000 0.000 0.278 420 T C 0.388 175.034 174.700 -0.090 0.000 0.974 420 T CA 0.443 62.477 62.100 -0.109 0.000 0.893 420 T CB -1.195 67.625 68.868 -0.080 0.000 1.138 420 T HN 1.290 nan 8.240 nan 0.000 0.529 421 V N -0.364 119.493 119.914 -0.095 0.000 3.003 421 V HA 0.501 4.621 4.120 0.000 0.000 0.305 421 V C -2.744 173.316 176.094 -0.057 0.000 1.078 421 V CA -2.612 59.652 62.300 -0.060 0.000 1.083 421 V CB -0.157 31.640 31.823 -0.044 0.000 1.039 421 V HN -0.046 nan 8.190 nan 0.000 0.481 422 P HA 0.178 nan 4.420 nan 0.000 0.261 422 P C -0.891 176.406 177.300 -0.004 0.000 1.173 422 P CA 0.465 63.565 63.100 -0.001 0.000 0.760 422 P CB 0.156 31.871 31.700 0.026 0.000 0.783 423 K N 3.436 123.835 120.400 -0.001 0.000 2.413 423 K HA 0.579 4.899 4.320 0.000 0.000 0.257 423 K C -0.593 176.058 176.600 0.085 0.000 0.946 423 K CA -0.307 55.996 56.287 0.027 0.000 0.823 423 K CB 1.371 33.840 32.500 -0.051 0.000 1.109 423 K HN 0.373 nan 8.250 nan 0.000 0.427 424 I N 2.018 122.652 120.570 0.106 0.000 2.466 424 I HA 0.339 4.509 4.170 0.000 0.000 0.289 424 I C -0.613 175.555 176.117 0.084 0.000 1.026 424 I CA -0.714 60.644 61.300 0.096 0.000 1.078 424 I CB 2.382 40.439 38.000 0.095 0.000 1.249 424 I HN 0.456 nan 8.210 nan 0.000 0.429 425 T N 5.263 119.849 114.554 0.052 0.000 2.841 425 T HA 0.555 4.905 4.350 0.000 0.000 0.283 425 T C -0.561 174.112 174.700 -0.045 0.000 1.000 425 T CA -0.498 61.601 62.100 -0.002 0.000 0.977 425 T CB 2.245 71.097 68.868 -0.028 0.000 0.979 425 T HN 0.199 nan 8.240 nan 0.000 0.446 426 V N 4.631 124.485 119.914 -0.100 0.000 2.409 426 V HA 0.445 4.565 4.120 0.000 0.000 0.290 426 V C -0.299 175.628 176.094 -0.279 0.000 1.017 426 V CA -0.773 61.423 62.300 -0.174 0.000 0.841 426 V CB 1.323 33.038 31.823 -0.180 0.000 1.003 426 V HN 0.811 nan 8.190 nan 0.000 0.426 427 I N 4.707 125.127 120.570 -0.251 0.000 2.312 427 I HA 0.205 4.375 4.170 0.000 0.000 0.291 427 I C 1.598 177.463 176.117 -0.420 0.000 1.031 427 I CA 0.005 61.150 61.300 -0.257 0.000 1.293 427 I CB 1.719 39.647 38.000 -0.121 0.000 1.403 427 I HN 0.795 nan 8.210 nan 0.000 0.484 428 T N 2.717 116.949 114.554 -0.537 0.000 3.035 428 T HA 0.149 4.499 4.350 0.000 0.000 0.259 428 T C 1.172 175.762 174.700 -0.182 0.000 1.078 428 T CA 0.388 62.071 62.100 -0.694 0.000 1.132 428 T CB 0.482 68.819 68.868 -0.884 0.000 0.900 428 T HN 0.655 nan 8.240 nan 0.000 0.480 429 R N 0.152 120.573 120.500 -0.132 0.000 2.905 429 R HA 0.374 4.714 4.340 0.000 0.000 0.092 429 R C -0.958 175.270 176.300 -0.121 0.000 0.620 429 R CA -0.678 55.388 56.100 -0.057 0.000 0.438 429 R CB 0.326 30.637 30.300 0.019 0.000 0.367 429 R HN -0.021 nan 8.270 nan 0.000 0.325 430 K N 0.566 120.858 120.400 -0.179 0.000 2.355 430 K HA 0.405 4.725 4.320 0.000 0.000 0.270 430 K C -1.070 175.297 176.600 -0.388 0.000 1.003 430 K CA 0.643 56.681 56.287 -0.415 0.000 0.957 430 K CB 1.284 33.462 32.500 -0.536 0.000 0.939 430 K HN 0.487 nan 8.250 nan 0.000 0.482 431 A N 3.219 125.736 122.820 -0.504 0.000 2.599 431 A HA 0.317 4.637 4.320 0.000 0.000 0.300 431 A C -1.829 175.737 177.584 -0.031 0.000 1.151 431 A CA -0.794 51.138 52.037 -0.175 0.000 0.883 431 A CB 0.176 19.193 19.000 0.028 0.000 1.480 431 A HN 0.494 nan 8.150 nan 0.000 0.401 432 Y N 0.715 121.053 120.300 0.064 0.000 2.487 432 Y HA 0.712 5.262 4.550 0.000 0.000 0.337 432 Y C 1.382 177.344 175.900 0.103 0.000 1.076 432 Y CA -0.260 57.877 58.100 0.061 0.000 1.115 432 Y CB 1.162 39.649 38.460 0.045 0.000 1.235 432 Y HN 1.415 nan 8.280 nan 0.000 0.468 433 G N 1.270 110.226 108.800 0.259 0.000 2.596 433 G HA2 -0.327 3.633 3.960 0.000 0.000 0.334 433 G HA3 -0.327 3.633 3.960 0.000 0.000 0.334 433 G C 1.377 176.423 174.900 0.242 0.000 1.351 433 G CA 0.671 45.888 45.100 0.195 0.000 0.965 433 G HN 1.257 nan 8.290 nan 0.000 0.533 434 G N -0.283 108.655 108.800 0.230 0.000 2.469 434 G HA2 0.105 4.065 3.960 0.000 0.000 0.220 434 G HA3 0.105 4.065 3.960 0.000 0.000 0.220 434 G C 2.214 177.284 174.900 0.283 0.000 1.136 434 G CA 3.139 48.387 45.100 0.246 0.000 0.759 434 G HN 1.874 nan 8.290 nan 0.000 0.562 435 A N 0.313 123.321 122.820 0.314 0.000 1.917 435 A HA -0.173 4.147 4.320 0.000 0.000 0.219 435 A C 2.191 179.770 177.584 -0.009 0.000 1.182 435 A CA 1.993 54.040 52.037 0.016 0.000 0.633 435 A CB -0.799 18.105 19.000 -0.160 0.000 0.819 435 A HN 0.642 nan 8.150 nan 0.000 0.448 436 Y N 0.470 120.759 120.300 -0.018 0.000 2.151 436 Y HA -0.328 4.222 4.550 0.000 0.000 0.284 436 Y C 2.473 178.326 175.900 -0.078 0.000 1.166 436 Y CA 1.518 59.587 58.100 -0.052 0.000 1.163 436 Y CB -1.008 37.448 38.460 -0.006 0.000 0.974 436 Y HN 0.399 nan 8.280 nan 0.000 0.511 437 C N -0.906 118.205 119.300 -0.315 0.000 2.442 437 C HA -0.175 4.285 4.460 0.000 0.000 0.279 437 C C 2.810 177.587 174.990 -0.356 0.000 1.237 437 C CA 1.243 60.020 59.018 -0.402 0.000 1.722 437 C CB -1.514 26.165 27.740 -0.101 0.000 2.056 437 C HN 0.518 nan 8.230 nan 0.000 0.469 438 V N 0.883 120.690 119.914 -0.178 0.000 3.186 438 V HA -0.019 4.101 4.120 0.000 0.000 0.270 438 V C 0.882 176.791 176.094 -0.309 0.000 1.149 438 V CA 1.394 63.601 62.300 -0.155 0.000 1.160 438 V CB -0.505 31.329 31.823 0.018 0.000 0.758 438 V HN 0.508 nan 8.190 nan 0.000 0.516 439 M N 1.063 120.432 119.600 -0.385 0.000 3.428 439 M HA 0.423 4.903 4.480 0.000 0.000 0.229 439 M C 1.135 177.098 176.300 -0.562 0.000 1.299 439 M CA -0.128 54.925 55.300 -0.412 0.000 1.405 439 M CB -0.793 31.633 32.600 -0.290 0.000 1.119 439 M HN 0.351 nan 8.290 nan 0.000 0.613 440 G N 2.208 110.417 108.800 -0.985 0.000 2.395 440 G HA2 -0.237 3.723 3.960 0.000 0.000 0.300 440 G HA3 -0.237 3.723 3.960 0.000 0.000 0.300 440 G C 0.336 174.953 174.900 -0.472 0.000 0.998 440 G CA 0.638 45.062 45.100 -1.127 0.000 1.046 440 G HN 0.746 nan 8.290 nan 0.000 0.513 441 S N -1.005 114.377 115.700 -0.530 0.000 2.576 441 S HA 0.511 4.981 4.470 0.000 0.000 0.276 441 S C 1.507 175.987 174.600 -0.200 0.000 1.339 441 S CA 0.298 58.196 58.200 -0.503 0.000 1.039 441 S CB 2.029 64.713 63.200 -0.860 0.000 0.902 441 S HN 0.551 nan 8.310 nan 0.000 0.516 442 K N 1.610 121.956 120.400 -0.091 0.000 2.015 442 K HA -0.240 4.080 4.320 0.000 0.000 0.220 442 K C 1.204 177.790 176.600 -0.024 0.000 1.055 442 K CA 2.428 58.719 56.287 0.007 0.000 0.951 442 K CB -0.861 31.695 32.500 0.094 0.000 0.725 442 K HN 0.769 nan 8.250 nan 0.000 0.449 443 D N -0.607 119.729 120.400 -0.106 0.000 2.392 443 D HA -0.102 4.538 4.640 0.000 0.000 0.228 443 D C 1.171 177.439 176.300 -0.052 0.000 1.003 443 D CA 0.506 54.456 54.000 -0.085 0.000 0.917 443 D CB 0.134 40.837 40.800 -0.162 0.000 0.890 443 D HN 0.231 nan 8.370 nan 0.000 0.532 444 M N -0.815 118.757 119.600 -0.047 0.000 2.561 444 M HA 0.109 4.589 4.480 0.000 0.000 0.238 444 M C 1.289 177.659 176.300 0.116 0.000 1.131 444 M CA 0.231 55.542 55.300 0.019 0.000 1.046 444 M CB 0.102 32.682 32.600 -0.033 0.000 1.532 444 M HN 0.163 nan 8.290 nan 0.000 0.497 445 G N -0.564 108.286 108.800 0.083 0.000 2.192 445 G HA2 -0.191 3.769 3.960 0.000 0.000 0.193 445 G HA3 -0.191 3.769 3.960 0.000 0.000 0.193 445 G C 0.296 175.236 174.900 0.066 0.000 0.999 445 G CA -0.005 45.122 45.100 0.045 0.000 0.659 445 G HN 0.466 nan 8.290 nan 0.000 0.503 446 C N 1.462 120.867 119.300 0.174 0.000 2.662 446 C HA 0.473 4.933 4.460 0.000 0.000 0.420 446 C C 1.842 176.883 174.990 0.085 0.000 1.314 446 C CA 0.563 59.683 59.018 0.170 0.000 1.963 446 C CB 0.019 27.878 27.740 0.198 0.000 2.686 446 C HN 0.498 nan 8.230 nan 0.000 0.609 447 D N 1.642 122.082 120.400 0.068 0.000 2.106 447 D HA 0.003 4.643 4.640 0.000 0.000 0.203 447 D C 0.392 176.736 176.300 0.074 0.000 0.977 447 D CA 1.479 55.514 54.000 0.057 0.000 0.844 447 D CB 0.035 40.862 40.800 0.045 0.000 1.002 447 D HN 0.459 nan 8.370 nan 0.000 0.461 448 V N 1.146 121.110 119.914 0.083 0.000 2.444 448 V HA 0.413 4.533 4.120 0.000 0.000 0.294 448 V C -1.613 174.521 176.094 0.067 0.000 1.022 448 V CA -0.679 61.674 62.300 0.089 0.000 0.850 448 V CB 1.376 33.271 31.823 0.120 0.000 0.992 448 V HN -0.077 nan 8.190 nan 0.000 0.426 449 N N 6.449 125.180 118.700 0.052 0.000 2.417 449 N HA 0.678 5.418 4.740 0.000 0.000 0.274 449 N C -0.909 174.589 175.510 -0.021 0.000 0.987 449 N CA -0.375 52.692 53.050 0.027 0.000 0.912 449 N CB 1.755 40.278 38.487 0.060 0.000 1.177 449 N HN 0.682 nan 8.380 nan 0.000 0.490 450 L N 1.144 122.330 121.223 -0.061 0.000 2.332 450 L HA 0.935 5.275 4.340 0.000 0.000 0.269 450 L C -0.101 176.725 176.870 -0.073 0.000 1.016 450 L CA -1.084 53.686 54.840 -0.117 0.000 0.809 450 L CB 1.554 43.511 42.059 -0.170 0.000 1.280 450 L HN 0.499 nan 8.230 nan 0.000 0.447 451 A N 0.339 123.133 122.820 -0.044 0.000 2.520 451 A HA 0.653 4.973 4.320 0.000 0.000 0.298 451 A C -1.990 175.678 177.584 0.141 0.000 1.051 451 A CA -0.500 51.528 52.037 -0.015 0.000 0.690 451 A CB 1.024 19.983 19.000 -0.069 0.000 1.281 451 A HN 0.515 nan 8.150 nan 0.000 0.402 452 W N 1.683 122.908 121.300 -0.126 0.000 2.303 452 W HA 0.500 5.160 4.660 0.000 0.000 0.334 452 W C -2.003 174.439 176.519 -0.128 0.000 1.197 452 W CA -1.888 55.386 57.345 -0.118 0.000 1.262 452 W CB 0.323 29.728 29.460 -0.092 0.000 1.153 452 W HN 0.511 nan 8.180 nan 0.000 0.596 453 P HA -0.183 nan 4.420 nan 0.000 0.218 453 P C 1.279 178.614 177.300 0.059 0.000 1.146 453 P CA 2.428 65.543 63.100 0.025 0.000 0.820 453 P CB 0.022 31.729 31.700 0.012 0.000 0.778 454 T N -4.299 110.315 114.554 0.099 0.000 3.169 454 T HA 0.396 4.746 4.350 0.000 0.000 0.250 454 T C 0.816 175.550 174.700 0.058 0.000 1.111 454 T CA -0.248 61.901 62.100 0.081 0.000 1.010 454 T CB -0.652 68.270 68.868 0.089 0.000 0.984 454 T HN 0.021 nan 8.240 nan 0.000 0.537 455 A N 1.457 124.300 122.820 0.039 0.000 2.445 455 A HA 0.436 4.756 4.320 0.000 0.000 0.242 455 A C 0.274 177.855 177.584 -0.005 0.000 1.075 455 A CA -0.423 51.606 52.037 -0.012 0.000 0.777 455 A CB 0.194 19.169 19.000 -0.042 0.000 1.013 455 A HN 0.592 nan 8.150 nan 0.000 0.493 456 Q N 1.641 121.427 119.800 -0.023 0.000 2.932 456 Q HA 0.368 4.708 4.340 0.000 0.000 0.248 456 Q C -1.416 174.608 176.000 0.041 0.000 0.982 456 Q CA 0.101 55.931 55.803 0.045 0.000 0.730 456 Q CB 1.123 29.920 28.738 0.098 0.000 1.249 456 Q HN 0.716 nan 8.270 nan 0.000 0.476 457 I N 1.538 122.119 120.570 0.018 0.000 2.315 457 I HA 0.739 4.909 4.170 0.000 0.000 0.291 457 I C 0.074 176.203 176.117 0.018 0.000 1.006 457 I CA -0.341 60.941 61.300 -0.029 0.000 1.265 457 I CB 1.161 39.075 38.000 -0.143 0.000 1.387 457 I HN 0.487 nan 8.210 nan 0.000 0.475 458 A N 4.620 127.507 122.820 0.112 0.000 2.540 458 A HA 0.524 4.844 4.320 0.000 0.000 0.291 458 A C 0.354 177.991 177.584 0.088 0.000 1.083 458 A CA -0.550 51.537 52.037 0.082 0.000 0.650 458 A CB 0.599 19.668 19.000 0.115 0.000 1.292 458 A HN 0.313 nan 8.150 nan 0.000 0.435 459 V N 0.300 120.234 119.914 0.033 0.000 2.358 459 V HA 0.026 4.146 4.120 0.000 0.000 0.246 459 V C 1.023 177.097 176.094 -0.034 0.000 1.047 459 V CA 2.636 64.940 62.300 0.008 0.000 1.035 459 V CB -1.077 30.729 31.823 -0.028 0.000 0.658 459 V HN 0.964 nan 8.190 nan 0.000 0.452 460 M N -2.244 117.270 119.600 -0.143 0.000 2.949 460 M HA 0.623 5.103 4.480 0.000 0.000 0.270 460 M C -0.149 175.784 176.300 -0.612 0.000 1.221 460 M CA -0.452 54.635 55.300 -0.354 0.000 0.818 460 M CB 1.423 33.883 32.600 -0.233 0.000 1.635 460 M HN 0.015 nan 8.290 nan 0.000 0.492 461 G N 0.414 108.745 108.800 -0.782 0.000 2.432 461 G HA2 0.417 4.377 3.960 0.000 0.000 0.239 461 G HA3 0.417 4.377 3.960 0.000 0.000 0.239 461 G C 0.830 175.607 174.900 -0.206 0.000 1.291 461 G CA 0.034 44.783 45.100 -0.585 0.000 0.863 461 G HN 1.059 nan 8.290 nan 0.000 0.560 462 A N 2.047 124.852 122.820 -0.024 0.000 2.076 462 A HA -0.080 4.240 4.320 0.000 0.000 0.220 462 A C 2.642 180.194 177.584 -0.055 0.000 1.160 462 A CA 2.189 54.258 52.037 0.053 0.000 0.653 462 A CB -0.506 18.662 19.000 0.278 0.000 0.801 462 A HN 0.771 nan 8.150 nan 0.000 0.455 463 S N -0.642 115.039 115.700 -0.033 0.000 2.343 463 S HA -0.044 4.426 4.470 0.000 0.000 0.219 463 S C 1.891 176.476 174.600 -0.025 0.000 1.033 463 S CA 1.783 59.973 58.200 -0.017 0.000 1.014 463 S CB -0.505 62.694 63.200 -0.002 0.000 0.915 463 S HN 0.696 nan 8.310 nan 0.000 0.435 464 G N -0.390 108.393 108.800 -0.029 0.000 3.042 464 G HA2 0.406 4.366 3.960 0.000 0.000 0.212 464 G HA3 0.406 4.366 3.960 0.000 0.000 0.212 464 G C 1.345 176.296 174.900 0.084 0.000 1.166 464 G CA 0.656 45.781 45.100 0.041 0.000 0.767 464 G HN 0.609 nan 8.290 nan 0.000 0.546 465 A N 0.986 123.745 122.820 -0.101 0.000 1.872 465 A HA 0.050 4.370 4.320 0.000 0.000 0.214 465 A C 2.668 180.136 177.584 -0.193 0.000 1.187 465 A CA 2.016 53.902 52.037 -0.252 0.000 0.614 465 A CB -0.842 17.742 19.000 -0.693 0.000 0.826 465 A HN 0.768 nan 8.150 nan 0.000 0.442 466 V N -1.368 118.440 119.914 -0.177 0.000 2.453 466 V HA -0.143 3.977 4.120 0.000 0.000 0.252 466 V C 2.352 178.485 176.094 0.065 0.000 1.068 466 V CA 2.068 64.393 62.300 0.041 0.000 1.070 466 V CB -1.959 29.933 31.823 0.116 0.000 0.664 466 V HN 0.431 nan 8.190 nan 0.000 0.461 467 G N -0.699 108.119 108.800 0.029 0.000 2.450 467 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 467 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 467 G C 1.232 176.025 174.900 -0.179 0.000 1.130 467 G CA 1.264 46.318 45.100 -0.077 0.000 0.760 467 G HN 0.567 nan 8.290 nan 0.000 0.557 468 F N -0.167 119.724 119.950 -0.098 0.000 2.208 468 F HA 0.164 4.691 4.527 0.000 0.000 0.282 468 F C 2.719 178.439 175.800 -0.133 0.000 1.071 468 F CA 0.247 58.188 58.000 -0.099 0.000 1.228 468 F CB -0.854 38.083 39.000 -0.105 0.000 1.088 468 F HN -0.084 nan 8.300 nan 0.000 0.512 469 V N -0.540 119.371 119.914 -0.006 0.000 2.215 469 V HA -0.332 3.788 4.120 0.000 0.000 0.249 469 V C 1.008 176.927 176.094 -0.292 0.000 1.054 469 V CA 1.797 63.944 62.300 -0.255 0.000 1.012 469 V CB -0.971 30.515 31.823 -0.561 0.000 0.639 469 V HN 0.318 nan 8.190 nan 0.000 0.448 470 Y N 0.529 120.828 120.300 -0.001 0.000 2.994 470 Y HA 0.274 4.824 4.550 0.000 0.000 0.393 470 Y C 1.563 177.449 175.900 -0.024 0.000 1.118 470 Y CA -0.323 57.773 58.100 -0.006 0.000 1.906 470 Y CB -0.852 37.602 38.460 -0.011 0.000 1.925 470 Y HN 0.105 nan 8.280 nan 0.000 0.446 471 R N 0.865 121.392 120.500 0.044 0.000 2.096 471 R HA -0.177 4.163 4.340 0.000 0.000 0.229 471 R C 1.939 178.246 176.300 0.012 0.000 1.134 471 R CA 1.949 58.047 56.100 -0.004 0.000 0.917 471 R CB -0.239 30.042 30.300 -0.032 0.000 0.832 471 R HN 0.275 nan 8.270 nan 0.000 0.430 472 Q N 0.487 120.300 119.800 0.022 0.000 2.096 472 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 472 Q C 2.056 178.075 176.000 0.032 0.000 0.982 472 Q CA 1.822 57.637 55.803 0.020 0.000 0.850 472 Q CB -0.536 28.215 28.738 0.021 0.000 0.901 472 Q HN 0.607 nan 8.270 nan 0.000 0.422 473 Q N 0.063 119.902 119.800 0.066 0.000 2.234 473 Q HA -0.107 4.233 4.340 0.000 0.000 0.206 473 Q C 1.787 177.806 176.000 0.032 0.000 0.980 473 Q CA 0.805 56.645 55.803 0.061 0.000 0.869 473 Q CB 0.059 28.861 28.738 0.108 0.000 0.912 473 Q HN 0.358 nan 8.270 nan 0.000 0.436 474 L N -0.736 120.508 121.223 0.035 0.000 2.446 474 L HA 0.079 4.419 4.340 0.000 0.000 0.219 474 L C 2.182 179.048 176.870 -0.007 0.000 1.116 474 L CA 0.371 55.215 54.840 0.008 0.000 0.844 474 L CB -0.161 41.902 42.059 0.007 0.000 0.970 474 L HN 0.194 nan 8.230 nan 0.000 0.457 475 A N 0.097 122.914 122.820 -0.005 0.000 1.970 475 A HA -0.119 4.201 4.320 0.000 0.000 0.216 475 A C 1.859 179.438 177.584 -0.009 0.000 1.170 475 A CA 0.962 52.991 52.037 -0.013 0.000 0.645 475 A CB -0.159 18.834 19.000 -0.012 0.000 0.816 475 A HN 0.395 nan 8.150 nan 0.000 0.447 476 E N -0.338 119.860 120.200 -0.004 0.000 2.445 476 E HA 0.275 4.625 4.350 0.000 0.000 0.189 476 E C 1.189 177.784 176.600 -0.008 0.000 1.069 476 E CA 0.275 56.672 56.400 -0.004 0.000 0.871 476 E CB 0.097 29.797 29.700 0.000 0.000 0.991 476 E HN 0.575 nan 8.360 nan 0.000 0.481 477 A N 0.347 123.161 122.820 -0.010 0.000 2.348 477 A HA 0.416 4.736 4.320 0.000 0.000 0.224 477 A C 1.799 179.374 177.584 -0.015 0.000 1.227 477 A CA 0.534 52.563 52.037 -0.014 0.000 0.885 477 A CB 0.351 19.341 19.000 -0.017 0.000 0.933 477 A HN 0.241 nan 8.150 nan 0.000 0.506 478 A N -1.342 121.469 122.820 -0.014 0.000 2.211 478 A HA 0.676 4.996 4.320 0.000 0.000 0.208 478 A C 1.880 179.457 177.584 -0.013 0.000 1.250 478 A CA 1.174 53.203 52.037 -0.015 0.000 0.935 478 A CB -0.275 18.715 19.000 -0.018 0.000 0.982 478 A HN 0.662 nan 8.150 nan 0.000 0.490 479 A N 0.959 123.773 122.820 -0.011 0.000 2.054 479 A HA 0.266 4.586 4.320 0.000 0.000 0.221 479 A C 1.457 179.036 177.584 -0.008 0.000 1.587 479 A CA 1.045 53.077 52.037 -0.009 0.000 0.664 479 A CB -0.617 18.378 19.000 -0.008 0.000 1.248 479 A HN 0.455 nan 8.150 nan 0.000 0.527 480 N N 0.536 119.232 118.700 -0.007 0.000 2.055 480 N HA 0.284 5.024 4.740 0.000 0.000 0.199 480 N C 1.022 176.527 175.510 -0.008 0.000 1.162 480 N CA 0.942 53.988 53.050 -0.006 0.000 0.971 480 N CB -0.977 37.507 38.487 -0.005 0.000 1.083 480 N HN 0.413 nan 8.380 nan 0.000 0.434 481 G N 0.407 109.202 108.800 -0.008 0.000 2.327 481 G HA2 0.180 4.140 3.960 0.000 0.000 0.278 481 G HA3 0.180 4.140 3.960 0.000 0.000 0.278 481 G C -0.689 174.204 174.900 -0.012 0.000 1.145 481 G CA -0.097 44.997 45.100 -0.010 0.000 1.097 481 G HN 0.503 nan 8.290 nan 0.000 0.430 482 E N 2.104 122.297 120.200 -0.012 0.000 2.145 482 E HA 0.472 4.822 4.350 0.000 0.000 0.270 482 E C -0.903 175.689 176.600 -0.014 0.000 0.906 482 E CA -0.945 55.447 56.400 -0.013 0.000 0.761 482 E CB 2.410 32.103 29.700 -0.012 0.000 1.116 482 E HN 0.273 nan 8.360 nan 0.000 0.408 483 D N 2.995 123.385 120.400 -0.016 0.000 2.520 483 D HA 0.036 4.676 4.640 0.000 0.000 0.386 483 D C 0.763 177.052 176.300 -0.019 0.000 1.267 483 D CA -0.136 53.854 54.000 -0.017 0.000 0.958 483 D CB 0.522 41.312 40.800 -0.017 0.000 1.462 483 D HN 0.669 nan 8.370 nan 0.000 0.438 484 I N 0.686 121.244 120.570 -0.021 0.000 3.327 484 I HA -0.228 3.942 4.170 0.000 0.000 0.334 484 I C 1.220 177.326 176.117 -0.020 0.000 1.135 484 I CA 1.440 62.727 61.300 -0.022 0.000 1.477 484 I CB -0.052 37.935 38.000 -0.021 0.000 1.253 484 I HN 0.129 nan 8.210 nan 0.000 0.529 485 D N 0.948 121.336 120.400 -0.020 0.000 2.229 485 D HA -0.278 4.362 4.640 0.000 0.000 0.162 485 D C 1.125 177.416 176.300 -0.015 0.000 1.436 485 D CA 2.230 56.220 54.000 -0.015 0.000 1.324 485 D CB -0.813 39.979 40.800 -0.013 0.000 1.258 485 D HN 0.895 nan 8.370 nan 0.000 0.477 486 K N -0.177 120.213 120.400 -0.018 0.000 2.360 486 K HA 0.150 4.470 4.320 0.000 0.000 0.196 486 K C 1.941 178.524 176.600 -0.028 0.000 1.049 486 K CA 0.285 56.560 56.287 -0.019 0.000 1.049 486 K CB 0.280 32.770 32.500 -0.017 0.000 0.881 486 K HN 0.302 nan 8.250 nan 0.000 0.542 487 L N 1.098 122.300 121.223 -0.034 0.000 2.221 487 L HA 0.192 4.532 4.340 0.000 0.000 0.202 487 L C 2.204 179.037 176.870 -0.062 0.000 1.074 487 L CA 1.113 55.922 54.840 -0.052 0.000 0.795 487 L CB -0.210 41.820 42.059 -0.050 0.000 0.960 487 L HN -0.028 nan 8.230 nan 0.000 0.458 488 R N -1.010 119.465 120.500 -0.042 0.000 2.285 488 R HA -0.044 4.296 4.340 0.000 0.000 0.213 488 R C 1.423 177.707 176.300 -0.025 0.000 1.068 488 R CA 0.821 56.901 56.100 -0.034 0.000 1.004 488 R CB 0.023 30.310 30.300 -0.020 0.000 0.873 488 R HN 0.329 nan 8.270 nan 0.000 0.467 489 L N -0.677 120.531 121.223 -0.025 0.000 2.556 489 L HA 0.163 4.503 4.340 0.000 0.000 0.226 489 L C 2.186 179.046 176.870 -0.016 0.000 1.089 489 L CA 0.804 55.637 54.840 -0.011 0.000 0.864 489 L CB -0.107 41.948 42.059 -0.007 0.000 1.067 489 L HN 0.007 nan 8.230 nan 0.000 0.477 490 R N -0.592 119.885 120.500 -0.039 0.000 2.080 490 R HA 0.035 4.375 4.340 0.000 0.000 0.222 490 R C 2.052 178.309 176.300 -0.071 0.000 1.107 490 R CA 0.889 56.960 56.100 -0.047 0.000 0.980 490 R CB -0.004 30.260 30.300 -0.061 0.000 0.879 490 R HN 0.263 nan 8.270 nan 0.000 0.439 491 L N 0.609 121.755 121.223 -0.129 0.000 2.093 491 L HA -0.130 4.210 4.340 0.000 0.000 0.208 491 L C 2.691 179.548 176.870 -0.022 0.000 1.085 491 L CA 1.262 55.963 54.840 -0.232 0.000 0.755 491 L CB -0.372 41.424 42.059 -0.438 0.000 0.904 491 L HN 0.318 nan 8.230 nan 0.000 0.435 492 Q N -0.338 119.472 119.800 0.016 0.000 2.224 492 Q HA -0.242 4.098 4.340 0.000 0.000 0.203 492 Q C 2.257 178.330 176.000 0.121 0.000 0.970 492 Q CA 1.250 57.102 55.803 0.081 0.000 0.865 492 Q CB 0.071 28.834 28.738 0.043 0.000 0.922 492 Q HN 0.390 nan 8.270 nan 0.000 0.445 493 Q N 0.422 120.266 119.800 0.073 0.000 2.163 493 Q HA -0.126 4.214 4.340 0.000 0.000 0.198 493 Q C 1.432 177.483 176.000 0.084 0.000 0.954 493 Q CA 1.298 57.144 55.803 0.071 0.000 0.851 493 Q CB 0.178 28.937 28.738 0.035 0.000 0.928 493 Q HN 0.538 nan 8.270 nan 0.000 0.459 494 E N -0.512 119.733 120.200 0.075 0.000 2.072 494 E HA -0.197 4.153 4.350 0.000 0.000 0.191 494 E C 1.848 178.541 176.600 0.155 0.000 0.985 494 E CA 1.185 57.633 56.400 0.080 0.000 0.801 494 E CB -0.286 29.435 29.700 0.034 0.000 0.750 494 E HN 0.354 nan 8.360 nan 0.000 0.452 495 Y N 1.950 122.316 120.300 0.111 0.000 2.181 495 Y HA -0.248 4.302 4.550 0.000 0.000 0.288 495 Y C 2.350 178.303 175.900 0.088 0.000 1.146 495 Y CA 1.963 60.153 58.100 0.149 0.000 1.164 495 Y CB 0.066 38.661 38.460 0.226 0.000 0.982 495 Y HN -0.040 nan 8.280 nan 0.000 0.515 496 E N 0.536 120.879 120.200 0.238 0.000 2.077 496 E HA -0.204 4.146 4.350 0.000 0.000 0.193 496 E C 1.299 177.923 176.600 0.039 0.000 0.989 496 E CA 2.058 58.539 56.400 0.134 0.000 0.800 496 E CB -0.402 29.391 29.700 0.155 0.000 0.746 496 E HN 0.509 nan 8.360 nan 0.000 0.452 497 D N -1.396 119.029 120.400 0.042 0.000 2.363 497 D HA -0.003 4.637 4.640 0.000 0.000 0.226 497 D C 1.080 177.374 176.300 -0.009 0.000 1.020 497 D CA 1.355 55.367 54.000 0.020 0.000 0.892 497 D CB 0.314 41.129 40.800 0.024 0.000 0.900 497 D HN 0.432 nan 8.370 nan 0.000 0.531 498 T N -3.765 110.762 114.554 -0.045 0.000 3.010 498 T HA 0.137 4.487 4.350 0.000 0.000 0.252 498 T C 1.380 176.005 174.700 -0.125 0.000 0.963 498 T CA -0.233 61.827 62.100 -0.067 0.000 0.952 498 T CB 0.230 69.073 68.868 -0.040 0.000 1.182 498 T HN -0.060 nan 8.240 nan 0.000 0.495 499 L N 1.155 122.222 121.223 -0.260 0.000 2.526 499 L HA 0.447 4.787 4.340 0.000 0.000 0.210 499 L C 0.794 177.531 176.870 -0.222 0.000 1.048 499 L CA 0.588 55.232 54.840 -0.328 0.000 0.852 499 L CB -0.142 41.504 42.059 -0.688 0.000 1.128 499 L HN 0.147 nan 8.230 nan 0.000 0.482 500 V N 3.778 123.570 119.914 -0.203 0.000 2.242 500 V HA 0.118 4.238 4.120 0.000 0.000 0.242 500 V C -0.212 175.902 176.094 0.034 0.000 1.240 500 V CA -0.065 62.221 62.300 -0.024 0.000 1.211 500 V CB -1.540 30.328 31.823 0.074 0.000 1.338 500 V HN 0.638 nan 8.190 nan 0.000 0.499 501 N N 3.498 122.218 118.700 0.032 0.000 3.179 501 N HA 0.487 5.227 4.740 0.000 0.000 0.250 501 N C -2.549 172.967 175.510 0.009 0.000 1.507 501 N CA -1.382 51.708 53.050 0.067 0.000 0.883 501 N CB 1.258 39.843 38.487 0.164 0.000 1.435 501 N HN -0.014 nan 8.380 nan 0.000 0.532 502 P HA 0.057 nan 4.420 nan 0.000 0.245 502 P C 0.177 177.307 177.300 -0.285 0.000 1.206 502 P CA 0.803 63.769 63.100 -0.223 0.000 0.781 502 P CB 0.025 31.530 31.700 -0.325 0.000 0.994 503 Y N -0.273 120.009 120.300 -0.029 0.000 2.337 503 Y HA -0.089 4.461 4.550 0.000 0.000 0.293 503 Y C 2.621 178.485 175.900 -0.060 0.000 1.123 503 Y CA 0.525 58.602 58.100 -0.038 0.000 1.201 503 Y CB -1.319 37.120 38.460 -0.035 0.000 1.011 503 Y HN -0.272 nan 8.280 nan 0.000 0.545 504 V N 0.166 120.117 119.914 0.063 0.000 2.255 504 V HA -0.357 3.763 4.120 0.000 0.000 0.247 504 V C 2.558 178.603 176.094 -0.082 0.000 1.051 504 V CA 1.963 64.251 62.300 -0.019 0.000 1.018 504 V CB -1.354 30.442 31.823 -0.045 0.000 0.641 504 V HN 0.464 nan 8.190 nan 0.000 0.445 505 A N -0.094 122.676 122.820 -0.084 0.000 1.933 505 A HA -0.113 4.207 4.320 0.000 0.000 0.218 505 A C 2.408 179.927 177.584 -0.109 0.000 1.175 505 A CA 2.141 54.118 52.037 -0.100 0.000 0.628 505 A CB -0.802 18.185 19.000 -0.021 0.000 0.814 505 A HN 0.597 nan 8.150 nan 0.000 0.444 506 A N -0.355 122.422 122.820 -0.071 0.000 1.933 506 A HA -0.166 4.154 4.320 0.000 0.000 0.218 506 A C 1.901 179.457 177.584 -0.048 0.000 1.175 506 A CA 1.695 53.703 52.037 -0.049 0.000 0.628 506 A CB -0.482 18.481 19.000 -0.060 0.000 0.814 506 A HN 0.624 nan 8.150 nan 0.000 0.444 507 E N -0.914 119.256 120.200 -0.050 0.000 2.204 507 E HA -0.100 4.250 4.350 0.000 0.000 0.194 507 E C 2.136 178.661 176.600 -0.125 0.000 0.989 507 E CA 0.467 56.834 56.400 -0.055 0.000 0.824 507 E CB -0.010 29.670 29.700 -0.033 0.000 0.756 507 E HN 0.304 nan 8.360 nan 0.000 0.477 508 R N -0.908 119.442 120.500 -0.250 0.000 2.200 508 R HA 0.012 4.352 4.340 0.000 0.000 0.208 508 R C 1.397 177.486 176.300 -0.352 0.000 1.033 508 R CA 0.970 56.807 56.100 -0.439 0.000 1.000 508 R CB 0.542 30.267 30.300 -0.959 0.000 0.906 508 R HN 0.358 nan 8.270 nan 0.000 0.462 509 G N -0.210 108.477 108.800 -0.188 0.000 2.194 509 G HA2 -0.273 3.687 3.960 0.000 0.000 0.236 509 G HA3 -0.273 3.687 3.960 0.000 0.000 0.236 509 G C 0.468 175.453 174.900 0.142 0.000 0.987 509 G CA 0.112 45.205 45.100 -0.011 0.000 0.635 509 G HN 0.261 nan 8.290 nan 0.000 0.520 510 Y N 0.304 120.633 120.300 0.049 0.000 2.651 510 Y HA 0.333 4.883 4.550 0.000 0.000 0.296 510 Y C 1.454 177.399 175.900 0.076 0.000 1.150 510 Y CA 0.320 58.471 58.100 0.085 0.000 1.348 510 Y CB -0.214 38.318 38.460 0.120 0.000 0.983 510 Y HN 0.195 nan 8.280 nan 0.000 0.555 511 V N 0.511 120.527 119.914 0.171 0.000 2.577 511 V HA 0.158 4.278 4.120 0.000 0.000 0.303 511 V C 0.385 176.509 176.094 0.051 0.000 1.042 511 V CA -1.109 61.243 62.300 0.086 0.000 0.872 511 V CB 2.112 33.953 31.823 0.029 0.000 0.998 511 V HN -0.012 nan 8.190 nan 0.000 0.423 512 D N 3.124 123.551 120.400 0.045 0.000 2.219 512 D HA 0.191 4.831 4.640 0.000 0.000 0.205 512 D C 0.612 176.934 176.300 0.037 0.000 0.970 512 D CA 1.501 55.533 54.000 0.053 0.000 0.851 512 D CB 0.764 41.606 40.800 0.071 0.000 0.943 512 D HN 0.752 nan 8.370 nan 0.000 0.488 513 A N -0.579 122.229 122.820 -0.019 0.000 2.594 513 A HA 0.348 4.668 4.320 0.000 0.000 0.301 513 A C -1.398 176.129 177.584 -0.096 0.000 1.022 513 A CA -0.668 51.351 52.037 -0.030 0.000 0.738 513 A CB 0.867 19.882 19.000 0.024 0.000 1.263 513 A HN -0.138 nan 8.150 nan 0.000 0.409 514 V N 4.546 124.407 119.914 -0.088 0.000 2.318 514 V HA 0.514 4.634 4.120 0.000 0.000 0.271 514 V C 0.222 176.262 176.094 -0.090 0.000 1.030 514 V CA -0.356 61.867 62.300 -0.129 0.000 0.844 514 V CB 0.612 32.275 31.823 -0.268 0.000 1.015 514 V HN 0.903 nan 8.190 nan 0.000 0.460 515 I N 4.496 125.010 120.570 -0.093 0.000 2.910 515 I HA 0.786 4.956 4.170 0.000 0.000 0.310 515 I C -2.766 173.227 176.117 -0.206 0.000 1.043 515 I CA -2.981 58.243 61.300 -0.128 0.000 1.053 515 I CB 2.063 40.017 38.000 -0.077 0.000 1.242 515 I HN 0.264 nan 8.210 nan 0.000 0.452 516 P HA 0.226 nan 4.420 nan 0.000 0.266 516 P C -2.321 174.664 177.300 -0.525 0.000 1.195 516 P CA -0.925 61.899 63.100 -0.460 0.000 0.768 516 P CB -0.279 31.104 31.700 -0.528 0.000 0.838 517 P HA -0.205 nan 4.420 nan 0.000 0.216 517 P C 1.754 178.754 177.300 -0.501 0.000 1.153 517 P CA 1.927 64.126 63.100 -1.503 0.000 0.858 517 P CB -0.407 30.036 31.700 -2.095 0.000 0.789 518 S N -1.309 114.223 115.700 -0.279 0.000 2.383 518 S HA -0.246 4.224 4.470 0.000 0.000 0.229 518 S C 1.808 176.488 174.600 0.133 0.000 1.030 518 S CA 1.401 59.584 58.200 -0.029 0.000 1.002 518 S CB -1.795 61.425 63.200 0.033 0.000 0.829 518 S HN 0.185 nan 8.310 nan 0.000 0.467 519 H N 1.997 121.046 119.070 -0.036 0.000 2.521 519 H HA 0.099 4.655 4.556 0.000 0.000 0.286 519 H C 2.251 177.680 175.328 0.169 0.000 1.034 519 H CA 1.200 57.296 56.048 0.080 0.000 1.278 519 H CB -1.215 28.623 29.762 0.127 0.000 1.386 519 H HN 0.470 nan 8.280 nan 0.000 0.567 520 T N 0.342 115.062 114.554 0.276 0.000 2.565 520 T HA -0.314 4.036 4.350 0.000 0.000 0.265 520 T C 2.080 176.935 174.700 0.258 0.000 1.082 520 T CA 1.870 64.156 62.100 0.309 0.000 1.173 520 T CB -0.191 68.928 68.868 0.418 0.000 0.864 520 T HN 0.385 nan 8.240 nan 0.000 0.425 521 R N 0.620 121.236 120.500 0.192 0.000 2.113 521 R HA -0.166 4.174 4.340 0.000 0.000 0.244 521 R C 2.722 179.099 176.300 0.129 0.000 1.142 521 R CA 2.021 58.206 56.100 0.141 0.000 0.953 521 R CB -0.891 29.469 30.300 0.100 0.000 0.860 521 R HN 0.511 nan 8.270 nan 0.000 0.438 522 G N -1.092 107.776 108.800 0.113 0.000 2.422 522 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 522 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 522 G C 1.174 176.127 174.900 0.089 0.000 1.140 522 G CA 0.509 45.647 45.100 0.063 0.000 0.775 522 G HN 0.375 nan 8.290 nan 0.000 0.545 523 Y N 0.931 121.273 120.300 0.070 0.000 2.200 523 Y HA 0.025 4.575 4.550 0.000 0.000 0.290 523 Y C 2.715 178.660 175.900 0.074 0.000 1.137 523 Y CA 1.052 59.201 58.100 0.081 0.000 1.163 523 Y CB -0.038 38.491 38.460 0.115 0.000 0.988 523 Y HN 0.132 nan 8.280 nan 0.000 0.518 524 I N -1.041 119.696 120.570 0.278 0.000 2.286 524 I HA -0.269 3.901 4.170 0.000 0.000 0.248 524 I C 2.588 178.783 176.117 0.131 0.000 1.115 524 I CA 1.278 62.692 61.300 0.189 0.000 1.392 524 I CB -0.983 37.107 38.000 0.151 0.000 1.065 524 I HN 0.283 nan 8.210 nan 0.000 0.418 525 G N 1.061 109.924 108.800 0.104 0.000 2.459 525 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 525 G HA3 -0.313 3.647 3.960 0.000 0.000 0.217 525 G C 1.781 176.708 174.900 0.045 0.000 1.183 525 G CA 1.649 46.789 45.100 0.066 0.000 0.776 525 G HN 0.453 nan 8.290 nan 0.000 0.552 526 T N -0.531 114.034 114.554 0.017 0.000 2.788 526 T HA 0.169 4.519 4.350 0.000 0.000 0.268 526 T C 2.552 177.266 174.700 0.023 0.000 1.044 526 T CA 1.825 63.917 62.100 -0.012 0.000 1.139 526 T CB -0.396 68.418 68.868 -0.091 0.000 0.867 526 T HN 0.377 nan 8.240 nan 0.000 0.454 527 A N 1.867 124.728 122.820 0.069 0.000 1.877 527 A HA 0.133 4.453 4.320 0.000 0.000 0.216 527 A C 2.479 180.108 177.584 0.076 0.000 1.186 527 A CA 1.489 53.585 52.037 0.099 0.000 0.620 527 A CB -1.019 18.079 19.000 0.163 0.000 0.822 527 A HN 0.543 nan 8.150 nan 0.000 0.443 528 L N -1.110 120.158 121.223 0.076 0.000 2.079 528 L HA -0.202 4.138 4.340 0.000 0.000 0.210 528 L C 2.820 179.719 176.870 0.049 0.000 1.081 528 L CA 1.772 56.651 54.840 0.065 0.000 0.752 528 L CB -0.420 41.681 42.059 0.070 0.000 0.896 528 L HN 0.481 nan 8.230 nan 0.000 0.433 529 R N 0.132 120.657 120.500 0.041 0.000 2.075 529 R HA -0.188 4.152 4.340 0.000 0.000 0.232 529 R C 2.334 178.650 176.300 0.027 0.000 1.126 529 R CA 1.298 57.416 56.100 0.030 0.000 0.963 529 R CB -0.195 30.117 30.300 0.020 0.000 0.858 529 R HN 0.187 nan 8.270 nan 0.000 0.435 530 L N 0.758 121.998 121.223 0.029 0.000 2.017 530 L HA -0.109 4.231 4.340 0.000 0.000 0.208 530 L C 1.457 178.344 176.870 0.029 0.000 1.073 530 L CA 1.640 56.496 54.840 0.027 0.000 0.745 530 L CB -0.276 41.803 42.059 0.033 0.000 0.894 530 L HN 0.183 nan 8.230 nan 0.000 0.432 531 L N -0.258 120.987 121.223 0.036 0.000 2.627 531 L HA 0.046 4.386 4.340 0.000 0.000 0.233 531 L C 2.054 178.940 176.870 0.027 0.000 1.144 531 L CA 0.701 55.560 54.840 0.031 0.000 0.892 531 L CB -1.264 40.817 42.059 0.036 0.000 1.039 531 L HN 0.396 nan 8.230 nan 0.000 0.442 532 E N 0.536 120.752 120.200 0.028 0.000 2.045 532 E HA -0.255 4.095 4.350 0.000 0.000 0.212 532 E C 0.723 177.336 176.600 0.020 0.000 1.039 532 E CA 1.491 57.906 56.400 0.026 0.000 0.860 532 E CB 0.173 29.887 29.700 0.024 0.000 0.776 532 E HN 0.092 nan 8.360 nan 0.000 0.467 533 R N 1.010 121.520 120.500 0.016 0.000 3.863 533 R HA 0.170 4.510 4.340 0.000 0.000 0.304 533 R C -0.723 175.583 176.300 0.009 0.000 1.485 533 R CA -0.069 56.038 56.100 0.012 0.000 1.355 533 R CB -0.088 30.218 30.300 0.010 0.000 1.457 533 R HN 0.091 nan 8.270 nan 0.000 0.669 534 K N 0.641 121.046 120.400 0.008 0.000 2.380 534 K HA 0.064 4.384 4.320 0.000 0.000 0.267 534 K C -0.372 176.227 176.600 -0.002 0.000 0.990 534 K CA 0.041 56.331 56.287 0.004 0.000 0.946 534 K CB 0.564 33.065 32.500 0.002 0.000 0.937 534 K HN 0.067 nan 8.250 nan 0.000 0.491 535 I N 2.705 123.273 120.570 -0.004 0.000 2.382 535 I HA 0.345 4.515 4.170 0.000 0.000 0.286 535 I C -0.593 175.516 176.117 -0.013 0.000 1.002 535 I CA -0.464 60.831 61.300 -0.008 0.000 1.135 535 I CB 0.860 38.858 38.000 -0.004 0.000 1.288 535 I HN 0.729 nan 8.210 nan 0.000 0.448 536 A N 7.499 130.307 122.820 -0.020 0.000 2.402 536 A HA 0.645 4.965 4.320 0.000 0.000 0.291 536 A C -0.686 176.881 177.584 -0.029 0.000 1.051 536 A CA -0.666 51.355 52.037 -0.028 0.000 0.716 536 A CB 1.249 20.224 19.000 -0.041 0.000 1.223 536 A HN 0.676 nan 8.150 nan 0.000 0.425 537 Q N 2.537 122.321 119.800 -0.026 0.000 2.348 537 Q HA 0.676 5.016 4.340 0.000 0.000 0.265 537 Q C -1.252 174.731 176.000 -0.028 0.000 0.998 537 Q CA -0.793 54.995 55.803 -0.024 0.000 0.831 537 Q CB 1.929 30.657 28.738 -0.017 0.000 1.251 537 Q HN 0.514 nan 8.270 nan 0.000 0.456 538 L N 4.003 125.208 121.223 -0.031 0.000 2.350 538 L HA 0.450 4.790 4.340 0.000 0.000 0.275 538 L C -2.180 174.677 176.870 -0.022 0.000 1.099 538 L CA -1.541 53.279 54.840 -0.033 0.000 0.808 538 L CB 0.444 42.481 42.059 -0.037 0.000 1.149 538 L HN 0.559 nan 8.230 nan 0.000 0.442 539 P HA 0.047 nan 4.420 nan 0.000 0.263 539 P C -2.502 174.791 177.300 -0.011 0.000 1.175 539 P CA -0.501 62.591 63.100 -0.014 0.000 0.761 539 P CB -0.380 31.312 31.700 -0.013 0.000 0.794 540 P HA 0.081 nan 4.420 nan 0.000 0.266 540 P C -0.754 176.536 177.300 -0.016 0.000 1.215 540 P CA 0.286 63.379 63.100 -0.012 0.000 0.763 540 P CB 0.369 32.063 31.700 -0.011 0.000 0.806 541 K N 1.434 121.824 120.400 -0.018 0.000 2.610 541 K HA 0.240 4.560 4.320 0.000 0.000 0.267 541 K C 0.263 176.837 176.600 -0.043 0.000 0.943 541 K CA -1.057 55.207 56.287 -0.039 0.000 0.862 541 K CB 1.064 33.543 32.500 -0.036 0.000 1.376 541 K HN -0.091 nan 8.250 nan 0.000 0.412 542 K N 0.581 120.923 120.400 -0.096 0.000 2.127 542 K HA -0.199 4.121 4.320 0.000 0.000 0.208 542 K C -0.019 176.593 176.600 0.020 0.000 1.047 542 K CA 2.304 58.546 56.287 -0.075 0.000 0.927 542 K CB -0.526 31.876 32.500 -0.163 0.000 0.716 542 K HN 0.898 nan 8.250 nan 0.000 0.450 543 H N -4.905 114.177 119.070 0.020 0.000 2.938 543 H HA 0.344 4.900 4.556 0.000 0.000 0.273 543 H C -0.249 175.108 175.328 0.049 0.000 1.380 543 H CA -0.521 55.545 56.048 0.030 0.000 1.314 543 H CB 0.153 29.925 29.762 0.018 0.000 1.880 543 H HN 0.026 nan 8.280 nan 0.000 0.489 544 G N -0.454 108.515 108.800 0.282 0.000 2.516 544 G HA2 0.289 4.249 3.960 0.000 0.000 0.276 544 G HA3 0.289 4.249 3.960 0.000 0.000 0.276 544 G C -0.361 174.673 174.900 0.224 0.000 1.390 544 G CA -0.275 44.985 45.100 0.266 0.000 1.050 544 G HN 0.795 nan 8.290 nan 0.000 0.519 545 N N -1.099 117.661 118.700 0.100 0.000 2.646 545 N HA 0.131 4.871 4.740 0.000 0.000 0.303 545 N C -0.388 174.989 175.510 -0.221 0.000 1.921 545 N CA -0.472 52.573 53.050 -0.009 0.000 0.872 545 N CB 0.745 39.258 38.487 0.044 0.000 1.327 545 N HN 0.334 nan 8.380 nan 0.000 0.492 546 V N 1.690 121.234 119.914 -0.616 0.000 2.788 546 V HA 0.228 4.348 4.120 0.000 0.000 0.307 546 V C -1.925 173.944 176.094 -0.375 0.000 1.069 546 V CA -0.819 60.897 62.300 -0.974 0.000 1.173 546 V CB 0.351 31.445 31.823 -1.215 0.000 0.925 546 V HN 0.360 nan 8.190 nan 0.000 0.492 547 P HA 0.303 nan 4.420 nan 0.000 0.268 547 P C -0.670 176.578 177.300 -0.087 0.000 1.204 547 P CA 0.197 63.236 63.100 -0.102 0.000 0.768 547 P CB 0.489 32.164 31.700 -0.041 0.000 0.842 548 L N 0.000 121.188 121.223 -0.058 0.000 2.949 548 L HA 0.000 4.340 4.340 0.000 0.000 0.249 548 L CA 0.000 54.816 54.840 -0.040 0.000 0.813 548 L CB 0.000 42.031 42.059 -0.047 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502