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_B 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 0.000 176.121 176.117 0.007 0.000 1.063 20 I CA 0.000 61.305 61.300 0.009 0.000 1.566 20 I CB 0.000 38.004 38.000 0.007 0.000 1.214 21 D N 2.690 123.101 120.400 0.019 0.000 2.451 21 D HA 0.066 4.706 4.640 0.000 0.000 0.254 21 D C 0.941 177.241 176.300 -0.000 0.000 1.204 21 D CA 0.332 54.351 54.000 0.033 0.000 0.896 21 D CB 1.170 42.006 40.800 0.060 0.000 1.136 21 D HN 0.390 nan 8.370 nan 0.000 0.499 22 I N 4.643 125.173 120.570 -0.067 0.000 3.001 22 I HA -0.151 4.019 4.170 0.000 0.000 0.268 22 I C 1.556 177.535 176.117 -0.230 0.000 1.267 22 I CA 0.926 62.126 61.300 -0.166 0.000 1.472 22 I CB -0.152 37.699 38.000 -0.247 0.000 1.089 22 I HN 0.493 nan 8.210 nan 0.000 0.468 23 H N -0.547 118.525 119.070 0.004 0.000 2.539 23 H HA 0.212 4.768 4.556 0.000 0.000 0.267 23 H C 0.682 176.012 175.328 0.003 0.000 0.982 23 H CA 0.762 56.812 56.048 0.003 0.000 1.146 23 H CB -0.349 29.414 29.762 0.002 0.000 1.382 23 H HN 0.332 nan 8.280 nan 0.000 0.577 24 T N -2.616 111.986 114.554 0.081 0.000 2.945 24 T HA 0.181 4.531 4.350 0.000 0.000 0.286 24 T C 1.407 176.125 174.700 0.029 0.000 1.025 24 T CA -0.633 61.499 62.100 0.054 0.000 1.039 24 T CB 2.058 70.953 68.868 0.045 0.000 1.068 24 T HN -0.116 nan 8.240 nan 0.000 0.497 25 T N 1.497 116.067 114.554 0.026 0.000 2.759 25 T HA -0.091 4.259 4.350 0.000 0.000 0.269 25 T C 2.302 177.013 174.700 0.019 0.000 1.042 25 T CA 1.597 63.709 62.100 0.018 0.000 1.140 25 T CB -0.702 68.176 68.868 0.017 0.000 0.864 25 T HN 0.825 nan 8.240 nan 0.000 0.455 26 A N 1.327 124.160 122.820 0.022 0.000 1.898 26 A HA 0.194 4.514 4.320 0.000 0.000 0.216 26 A C 2.661 180.261 177.584 0.026 0.000 1.181 26 A CA 1.680 53.732 52.037 0.025 0.000 0.620 26 A CB -1.315 17.698 19.000 0.021 0.000 0.819 26 A HN 0.501 nan 8.150 nan 0.000 0.442 27 G N -0.107 108.703 108.800 0.017 0.000 2.418 27 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 27 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 27 G C 1.666 176.567 174.900 0.002 0.000 1.158 27 G CA 1.131 46.235 45.100 0.007 0.000 0.771 27 G HN 0.582 nan 8.290 nan 0.000 0.545 28 K N -0.437 119.960 120.400 -0.005 0.000 2.057 28 K HA -0.009 4.311 4.320 0.000 0.000 0.207 28 K C 2.341 178.939 176.600 -0.003 0.000 1.049 28 K CA 1.012 57.290 56.287 -0.014 0.000 0.931 28 K CB -0.286 32.204 32.500 -0.016 0.000 0.714 28 K HN 0.283 nan 8.250 nan 0.000 0.440 29 L N 1.141 122.376 121.223 0.020 0.000 2.056 29 L HA -0.054 4.286 4.340 0.000 0.000 0.207 29 L C 2.185 179.129 176.870 0.123 0.000 1.078 29 L CA 1.742 56.609 54.840 0.046 0.000 0.749 29 L CB -0.757 41.348 42.059 0.077 0.000 0.901 29 L HN 0.110 nan 8.230 nan 0.000 0.433 30 A N -0.655 122.231 122.820 0.111 0.000 1.933 30 A HA -0.238 4.082 4.320 0.000 0.000 0.218 30 A C 2.222 179.863 177.584 0.094 0.000 1.175 30 A CA 1.671 53.782 52.037 0.122 0.000 0.628 30 A CB -0.692 18.341 19.000 0.055 0.000 0.814 30 A HN 0.577 nan 8.150 nan 0.000 0.444 31 E N 0.016 120.239 120.200 0.039 0.000 2.051 31 E HA -0.186 4.164 4.350 0.000 0.000 0.192 31 E C 1.781 178.380 176.600 -0.003 0.000 0.991 31 E CA 1.453 57.858 56.400 0.009 0.000 0.799 31 E CB -0.543 29.146 29.700 -0.018 0.000 0.748 31 E HN 0.392 nan 8.360 nan 0.000 0.449 32 L N 0.340 121.541 121.223 -0.036 0.000 2.042 32 L HA -0.183 4.157 4.340 0.000 0.000 0.210 32 L C 2.002 178.798 176.870 -0.122 0.000 1.076 32 L CA 2.245 57.022 54.840 -0.106 0.000 0.749 32 L CB -0.808 41.143 42.059 -0.181 0.000 0.893 32 L HN 0.293 nan 8.230 nan 0.000 0.432 33 H N -0.780 118.281 119.070 -0.015 0.000 2.423 33 H HA -0.070 4.486 4.556 0.000 0.000 0.297 33 H C 2.060 177.381 175.328 -0.012 0.000 1.075 33 H CA 1.598 57.639 56.048 -0.012 0.000 1.342 33 H CB 0.092 29.850 29.762 -0.008 0.000 1.395 33 H HN 0.366 nan 8.280 nan 0.000 0.530 34 K N 0.265 120.723 120.400 0.097 0.000 2.103 34 K HA -0.034 4.286 4.320 0.000 0.000 0.204 34 K C 2.096 178.705 176.600 0.015 0.000 1.052 34 K CA 0.807 57.125 56.287 0.053 0.000 0.945 34 K CB 0.114 32.636 32.500 0.037 0.000 0.722 34 K HN 0.263 nan 8.250 nan 0.000 0.443 35 R N 0.633 121.129 120.500 -0.007 0.000 2.073 35 R HA -0.051 4.289 4.340 0.000 0.000 0.229 35 R C 2.435 178.708 176.300 -0.044 0.000 1.120 35 R CA 0.996 57.078 56.100 -0.031 0.000 0.967 35 R CB -0.208 30.069 30.300 -0.039 0.000 0.862 35 R HN 0.133 nan 8.270 nan 0.000 0.436 36 R N 1.201 121.677 120.500 -0.040 0.000 2.096 36 R HA -0.191 4.149 4.340 0.000 0.000 0.235 36 R C 2.051 178.331 176.300 -0.034 0.000 1.127 36 R CA 1.771 57.848 56.100 -0.038 0.000 0.968 36 R CB -0.036 30.238 30.300 -0.043 0.000 0.861 36 R HN 0.050 nan 8.270 nan 0.000 0.440 37 E N 0.731 120.921 120.200 -0.016 0.000 2.077 37 E HA -0.228 4.122 4.350 0.000 0.000 0.193 37 E C 1.677 178.156 176.600 -0.202 0.000 0.989 37 E CA 1.785 58.169 56.400 -0.028 0.000 0.800 37 E CB -0.056 29.668 29.700 0.039 0.000 0.746 37 E HN 0.457 nan 8.360 nan 0.000 0.452 38 E N -0.349 119.731 120.200 -0.199 0.000 2.150 38 E HA -0.150 4.200 4.350 0.000 0.000 0.193 38 E C 1.690 178.072 176.600 -0.363 0.000 0.985 38 E CA 1.170 57.364 56.400 -0.343 0.000 0.814 38 E CB -0.147 29.476 29.700 -0.130 0.000 0.752 38 E HN 0.362 nan 8.360 nan 0.000 0.466 39 S N 0.093 115.679 115.700 -0.190 0.000 2.537 39 S HA -0.077 4.393 4.470 0.000 0.000 0.240 39 S C 1.804 176.339 174.600 -0.108 0.000 0.981 39 S CA 0.447 58.580 58.200 -0.112 0.000 0.948 39 S CB -0.274 62.897 63.200 -0.049 0.000 0.759 39 S HN 0.301 nan 8.310 nan 0.000 0.531 40 L N 1.303 122.408 121.223 -0.197 0.000 2.418 40 L HA 0.118 4.458 4.340 0.000 0.000 0.218 40 L C 0.824 177.693 176.870 -0.003 0.000 1.125 40 L CA 0.590 55.391 54.840 -0.064 0.000 0.835 40 L CB -0.364 41.704 42.059 0.015 0.000 0.953 40 L HN 0.667 nan 8.230 nan 0.000 0.454 41 H N -2.983 116.102 119.070 0.025 0.000 2.696 41 H HA 0.199 4.755 4.556 0.000 0.000 0.221 41 H C -2.490 172.839 175.328 0.000 0.000 1.399 41 H CA -1.390 54.662 56.048 0.006 0.000 1.408 41 H CB -0.034 29.728 29.762 0.000 0.000 1.853 41 H HN -0.058 nan 8.280 nan 0.000 0.546 42 P HA -0.172 nan 4.420 nan 0.000 0.217 42 P C 1.193 178.499 177.300 0.010 0.000 1.151 42 P CA 1.559 64.653 63.100 -0.011 0.000 0.849 42 P CB 0.178 31.876 31.700 -0.004 0.000 0.787 43 V N -4.808 115.116 119.914 0.018 0.000 3.177 43 V HA 0.681 4.801 4.120 0.000 0.000 0.342 43 V C 0.575 176.683 176.094 0.024 0.000 1.379 43 V CA -0.304 61.991 62.300 -0.009 0.000 1.191 43 V CB -0.472 31.315 31.823 -0.059 0.000 1.167 43 V HN 0.349 nan 8.190 nan 0.000 0.471 44 G N 0.417 109.272 108.800 0.091 0.000 2.712 44 G HA2 -0.137 3.823 3.960 0.000 0.000 0.686 44 G HA3 -0.137 3.823 3.960 0.000 0.000 0.686 44 G C -0.095 174.816 174.900 0.018 0.000 1.181 44 G CA 0.010 45.154 45.100 0.072 0.000 0.762 44 G HN 0.328 nan 8.290 nan 0.000 0.641 45 E N -0.214 119.908 120.200 -0.130 0.000 2.418 45 E HA -0.043 4.307 4.350 0.000 0.000 0.197 45 E C 1.749 178.284 176.600 -0.108 0.000 1.026 45 E CA 0.862 57.144 56.400 -0.196 0.000 0.862 45 E CB 0.117 29.600 29.700 -0.362 0.000 0.799 45 E HN 0.570 nan 8.360 nan 0.000 0.518 46 D N 0.363 120.720 120.400 -0.073 0.000 2.117 46 D HA -0.113 4.527 4.640 0.000 0.000 0.198 46 D C 1.913 178.184 176.300 -0.049 0.000 0.982 46 D CA 1.312 55.282 54.000 -0.051 0.000 0.828 46 D CB 0.084 40.863 40.800 -0.034 0.000 0.967 46 D HN 0.157 nan 8.370 nan 0.000 0.464 47 A N -0.154 122.640 122.820 -0.042 0.000 1.902 47 A HA -0.132 4.188 4.320 0.000 0.000 0.217 47 A C 2.417 179.955 177.584 -0.077 0.000 1.181 47 A CA 1.543 53.554 52.037 -0.042 0.000 0.623 47 A CB -0.837 18.146 19.000 -0.028 0.000 0.818 47 A HN 0.202 nan 8.150 nan 0.000 0.443 48 V N 0.359 120.209 119.914 -0.106 0.000 2.287 48 V HA -0.320 3.800 4.120 0.000 0.000 0.248 48 V C 2.348 178.247 176.094 -0.326 0.000 1.053 48 V CA 2.359 64.522 62.300 -0.227 0.000 1.027 48 V CB -1.075 30.628 31.823 -0.200 0.000 0.646 48 V HN 0.654 nan 8.190 nan 0.000 0.447 49 E N 0.164 120.263 120.200 -0.170 0.000 2.118 49 E HA -0.245 4.105 4.350 0.000 0.000 0.195 49 E C 2.267 178.846 176.600 -0.035 0.000 0.992 49 E CA 1.268 57.621 56.400 -0.078 0.000 0.804 49 E CB -0.202 29.482 29.700 -0.026 0.000 0.741 49 E HN 0.627 nan 8.360 nan 0.000 0.458 50 K N 0.492 120.865 120.400 -0.045 0.000 2.097 50 K HA -0.073 4.247 4.320 0.000 0.000 0.205 50 K C 2.188 178.787 176.600 -0.001 0.000 1.050 50 K CA 0.979 57.259 56.287 -0.011 0.000 0.938 50 K CB -0.022 32.471 32.500 -0.012 0.000 0.718 50 K HN -0.014 nan 8.250 nan 0.000 0.442 51 V N 1.078 120.965 119.914 -0.045 0.000 2.490 51 V HA -0.230 3.890 4.120 0.000 0.000 0.250 51 V C 1.765 177.918 176.094 0.099 0.000 1.061 51 V CA 1.718 64.013 62.300 -0.008 0.000 1.064 51 V CB -0.686 31.099 31.823 -0.064 0.000 0.670 51 V HN 0.379 nan 8.190 nan 0.000 0.461 52 H N -0.573 118.513 119.070 0.026 0.000 2.497 52 H HA 0.153 4.709 4.556 0.000 0.000 0.282 52 H C 2.310 177.650 175.328 0.020 0.000 1.003 52 H CA 0.663 56.727 56.048 0.025 0.000 1.307 52 H CB 0.124 29.901 29.762 0.025 0.000 1.437 52 H HN 0.456 nan 8.280 nan 0.000 0.544 53 A N 1.454 124.356 122.820 0.137 0.000 1.969 53 A HA -0.145 4.175 4.320 0.000 0.000 0.218 53 A C 1.887 179.508 177.584 0.061 0.000 1.169 53 A CA 1.244 53.328 52.037 0.078 0.000 0.635 53 A CB -0.148 18.882 19.000 0.050 0.000 0.810 53 A HN 0.296 nan 8.150 nan 0.000 0.445 54 K N -1.187 119.252 120.400 0.065 0.000 2.487 54 K HA 0.235 4.555 4.320 0.000 0.000 0.192 54 K C 0.890 177.522 176.600 0.053 0.000 1.027 54 K CA 0.423 56.740 56.287 0.050 0.000 1.054 54 K CB -0.048 32.480 32.500 0.046 0.000 0.824 54 K HN 0.621 nan 8.250 nan 0.000 0.510 55 G N 2.267 111.108 108.800 0.070 0.000 2.198 55 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 55 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 55 G C -0.461 174.476 174.900 0.062 0.000 1.042 55 G CA 0.139 45.271 45.100 0.054 0.000 0.791 55 G HN 0.227 nan 8.290 nan 0.000 0.502 56 K N -0.974 119.487 120.400 0.102 0.000 2.385 56 K HA 0.719 5.039 4.320 0.000 0.000 0.248 56 K C -0.151 176.555 176.600 0.176 0.000 0.955 56 K CA -1.093 55.256 56.287 0.103 0.000 0.816 56 K CB 1.816 34.364 32.500 0.079 0.000 1.250 56 K HN 0.026 nan 8.250 nan 0.000 0.434 57 L N 0.659 121.976 121.223 0.156 0.000 2.454 57 L HA 0.313 4.654 4.340 0.000 0.000 0.256 57 L C 0.710 177.679 176.870 0.164 0.000 1.136 57 L CA -0.026 54.932 54.840 0.197 0.000 0.804 57 L CB 0.854 43.023 42.059 0.183 0.000 1.181 57 L HN 0.563 nan 8.230 nan 0.000 0.469 58 T N 0.339 114.993 114.554 0.166 0.000 2.904 58 T HA 0.289 4.639 4.350 0.000 0.000 0.290 58 T C 1.314 176.032 174.700 0.031 0.000 1.018 58 T CA 0.185 62.336 62.100 0.086 0.000 1.075 58 T CB 1.402 70.323 68.868 0.088 0.000 0.986 58 T HN 0.712 nan 8.240 nan 0.000 0.523 59 A N 2.954 125.778 122.820 0.008 0.000 1.915 59 A HA -0.256 4.064 4.320 0.000 0.000 0.220 59 A C 2.248 179.747 177.584 -0.141 0.000 1.198 59 A CA 2.344 54.359 52.037 -0.036 0.000 0.647 59 A CB -0.605 18.387 19.000 -0.013 0.000 0.825 59 A HN 0.937 nan 8.150 nan 0.000 0.456 60 R N -0.824 119.575 120.500 -0.168 0.000 2.093 60 R HA 0.040 4.380 4.340 0.000 0.000 0.224 60 R C 1.760 177.772 176.300 -0.480 0.000 1.101 60 R CA 1.155 57.004 56.100 -0.418 0.000 0.979 60 R CB -0.608 29.487 30.300 -0.342 0.000 0.877 60 R HN 0.560 nan 8.270 nan 0.000 0.441 61 E N 0.998 121.134 120.200 -0.106 0.000 2.219 61 E HA -0.179 4.171 4.350 0.000 0.000 0.198 61 E C 2.053 178.609 176.600 -0.073 0.000 0.998 61 E CA 1.216 57.649 56.400 0.056 0.000 0.818 61 E CB -0.058 29.740 29.700 0.164 0.000 0.741 61 E HN 0.413 nan 8.360 nan 0.000 0.477 62 R N 0.141 120.552 120.500 -0.149 0.000 2.090 62 R HA -0.043 4.297 4.340 0.000 0.000 0.228 62 R C 2.368 178.331 176.300 -0.560 0.000 1.110 62 R CA 0.914 56.876 56.100 -0.231 0.000 0.973 62 R CB -0.142 30.142 30.300 -0.027 0.000 0.869 62 R HN 0.189 nan 8.270 nan 0.000 0.440 63 I N -0.416 119.812 120.570 -0.570 0.000 2.202 63 I HA -0.257 3.913 4.170 0.000 0.000 0.242 63 I C 1.689 177.455 176.117 -0.586 0.000 1.091 63 I CA 1.218 62.104 61.300 -0.689 0.000 1.368 63 I CB -0.340 37.056 38.000 -1.006 0.000 1.058 63 I HN 0.078 nan 8.210 nan 0.000 0.410 64 Y N 1.131 121.214 120.300 -0.361 0.000 2.274 64 Y HA -0.175 4.375 4.550 0.000 0.000 0.290 64 Y C 2.648 178.419 175.900 -0.215 0.000 1.145 64 Y CA 0.793 58.754 58.100 -0.232 0.000 1.203 64 Y CB -1.139 37.239 38.460 -0.137 0.000 0.984 64 Y HN 0.124 nan 8.280 nan 0.000 0.533 65 A N -0.456 122.267 122.820 -0.163 0.000 1.897 65 A HA -0.101 4.219 4.320 0.000 0.000 0.215 65 A C 2.214 179.599 177.584 -0.332 0.000 1.181 65 A CA 1.485 53.396 52.037 -0.209 0.000 0.620 65 A CB -0.954 17.909 19.000 -0.229 0.000 0.821 65 A HN 0.383 nan 8.150 nan 0.000 0.443 66 L N -0.292 120.570 121.223 -0.603 0.000 2.044 66 L HA 0.203 4.543 4.340 0.000 0.000 0.205 66 L C 0.873 177.622 176.870 -0.201 0.000 1.075 66 L CA 1.064 55.632 54.840 -0.453 0.000 0.747 66 L CB -0.449 41.268 42.059 -0.571 0.000 0.903 66 L HN 0.324 nan 8.230 nan 0.000 0.435 67 L N 0.526 121.642 121.223 -0.179 0.000 2.453 67 L HA 0.126 4.466 4.340 0.000 0.000 0.261 67 L C 0.128 176.988 176.870 -0.017 0.000 1.179 67 L CA -0.788 54.011 54.840 -0.067 0.000 0.813 67 L CB -0.045 41.996 42.059 -0.031 0.000 1.110 67 L HN 0.121 nan 8.230 nan 0.000 0.466 68 D N 0.956 121.363 120.400 0.012 0.000 2.390 68 D HA -0.029 4.611 4.640 0.000 0.000 0.236 68 D C 0.116 176.438 176.300 0.037 0.000 1.189 68 D CA 0.121 54.132 54.000 0.019 0.000 0.887 68 D CB 0.515 41.328 40.800 0.023 0.000 1.198 68 D HN 0.439 nan 8.370 nan 0.000 0.444 69 E N 0.752 120.968 120.200 0.026 0.000 2.415 69 E HA -0.096 4.254 4.350 0.000 0.000 0.263 69 E C -0.338 176.282 176.600 0.034 0.000 0.995 69 E CA -0.032 56.383 56.400 0.025 0.000 0.915 69 E CB 0.218 29.922 29.700 0.006 0.000 0.951 69 E HN 0.267 nan 8.360 nan 0.000 0.449 70 D N 2.567 122.993 120.400 0.043 0.000 2.772 70 D HA -0.174 4.466 4.640 0.000 0.000 0.233 70 D C 0.285 176.626 176.300 0.068 0.000 1.143 70 D CA 1.241 55.268 54.000 0.045 0.000 0.700 70 D CB -1.517 39.290 40.800 0.011 0.000 1.076 70 D HN 0.440 nan 8.370 nan 0.000 0.430 71 S N -1.578 114.189 115.700 0.112 0.000 2.603 71 S HA 0.157 4.627 4.470 0.000 0.000 0.232 71 S C 0.276 174.959 174.600 0.139 0.000 1.016 71 S CA -0.644 57.617 58.200 0.102 0.000 0.976 71 S CB 0.413 63.668 63.200 0.092 0.000 0.921 71 S HN 0.179 nan 8.310 nan 0.000 0.516 72 F N 2.892 122.849 119.950 0.012 0.000 2.429 72 F HA 0.608 5.135 4.527 0.000 0.000 0.348 72 F C -0.539 175.190 175.800 -0.120 0.000 1.109 72 F CA -0.981 56.997 58.000 -0.036 0.000 1.232 72 F CB 1.268 40.297 39.000 0.049 0.000 1.157 72 F HN -0.048 nan 8.300 nan 0.000 0.564 73 V N 6.228 125.430 119.914 -1.186 0.000 2.447 73 V HA 0.197 4.317 4.120 0.000 0.000 0.292 73 V C -0.272 174.894 176.094 -1.547 0.000 1.021 73 V CA -0.950 60.640 62.300 -1.184 0.000 0.850 73 V CB 1.283 32.400 31.823 -1.177 0.000 1.005 73 V HN 0.779 nan 8.190 nan 0.000 0.426 74 E N 4.081 123.557 120.200 -1.207 0.000 2.366 74 E HA 0.541 4.891 4.350 0.000 0.000 0.266 74 E C -1.219 175.180 176.600 -0.336 0.000 1.051 74 E CA -0.364 55.620 56.400 -0.693 0.000 0.884 74 E CB 1.058 30.615 29.700 -0.239 0.000 1.006 74 E HN 0.540 nan 8.360 nan 0.000 0.417 75 L N 3.279 124.413 121.223 -0.148 0.000 2.365 75 L HA 0.254 4.594 4.340 0.000 0.000 0.273 75 L C -0.685 176.173 176.870 -0.021 0.000 1.000 75 L CA -0.819 53.987 54.840 -0.057 0.000 0.819 75 L CB 1.779 43.845 42.059 0.011 0.000 1.284 75 L HN 0.682 nan 8.230 nan 0.000 0.418 76 D N 1.969 122.356 120.400 -0.022 0.000 2.697 76 D HA -0.228 4.412 4.640 0.000 0.000 0.235 76 D C 1.010 177.305 176.300 -0.010 0.000 1.167 76 D CA 1.015 55.006 54.000 -0.014 0.000 0.656 76 D CB -0.483 40.313 40.800 -0.007 0.000 1.025 76 D HN 0.756 nan 8.370 nan 0.000 0.419 77 A N -0.461 122.348 122.820 -0.018 0.000 1.929 77 A HA -0.027 4.293 4.320 0.000 0.000 0.216 77 A C 1.886 179.464 177.584 -0.010 0.000 1.176 77 A CA 0.700 52.732 52.037 -0.008 0.000 0.628 77 A CB 0.099 19.091 19.000 -0.014 0.000 0.816 77 A HN 0.242 nan 8.150 nan 0.000 0.444 78 L N 0.004 121.214 121.223 -0.021 0.000 2.728 78 L HA 0.377 4.717 4.340 0.000 0.000 0.235 78 L C 0.954 177.814 176.870 -0.016 0.000 1.197 78 L CA 0.105 54.931 54.840 -0.023 0.000 0.992 78 L CB -0.706 41.333 42.059 -0.034 0.000 1.263 78 L HN 0.320 nan 8.230 nan 0.000 0.484 79 A N 0.839 123.656 122.820 -0.005 0.000 2.322 79 A HA 0.646 4.966 4.320 0.000 0.000 0.269 79 A C 0.249 177.842 177.584 0.015 0.000 1.094 79 A CA -0.329 51.709 52.037 0.001 0.000 0.807 79 A CB 0.422 19.427 19.000 0.008 0.000 1.047 79 A HN 0.333 nan 8.150 nan 0.000 0.487 80 K N 1.091 121.494 120.400 0.006 0.000 2.527 80 K HA 0.474 4.794 4.320 0.000 0.000 0.260 80 K C -0.727 175.866 176.600 -0.012 0.000 0.937 80 K CA -0.799 55.489 56.287 0.002 0.000 0.826 80 K CB 0.872 33.337 32.500 -0.059 0.000 1.359 80 K HN 0.972 nan 8.250 nan 0.000 0.434 81 H N 0.830 119.939 119.070 0.066 0.000 2.998 81 H HA 0.041 4.597 4.556 0.000 0.000 0.353 81 H C -0.210 175.125 175.328 0.011 0.000 1.099 81 H CA 0.193 56.259 56.048 0.030 0.000 1.393 81 H CB 0.698 30.471 29.762 0.017 0.000 1.343 81 H HN 0.761 nan 8.280 nan 0.000 0.609 82 R N 2.180 122.786 120.500 0.178 0.000 2.767 82 R HA 0.317 4.657 4.340 0.000 0.000 0.377 82 R C -0.488 175.907 176.300 0.158 0.000 1.151 82 R CA -0.483 55.674 56.100 0.094 0.000 1.046 82 R CB 0.100 30.416 30.300 0.027 0.000 1.404 82 R HN 0.409 nan 8.270 nan 0.000 0.580 83 S N 0.729 116.649 115.700 0.367 0.000 2.608 83 S HA 0.326 4.796 4.470 0.000 0.000 0.291 83 S C 0.513 175.180 174.600 0.112 0.000 1.146 83 S CA -0.335 57.931 58.200 0.110 0.000 1.043 83 S CB 1.514 64.662 63.200 -0.087 0.000 1.037 83 S HN 0.442 nan 8.310 nan 0.000 0.520 84 T N 0.656 115.207 114.554 -0.005 0.000 3.487 84 T HA 0.396 4.746 4.350 0.000 0.000 0.287 84 T C -0.540 174.091 174.700 -0.115 0.000 1.004 84 T CA -0.765 61.324 62.100 -0.019 0.000 0.977 84 T CB -0.550 68.304 68.868 -0.025 0.000 1.180 84 T HN 0.441 nan 8.240 nan 0.000 0.490 85 N N 1.563 120.156 118.700 -0.179 0.000 2.456 85 N HA 0.470 5.210 4.740 0.000 0.000 0.296 85 N C -0.374 174.988 175.510 -0.246 0.000 1.102 85 N CA -0.892 51.913 53.050 -0.410 0.000 0.924 85 N CB 0.544 38.698 38.487 -0.555 0.000 1.186 85 N HN 0.230 nan 8.380 nan 0.000 0.492 86 F N 0.770 120.706 119.950 -0.024 0.000 2.783 86 F HA -0.296 4.231 4.527 0.000 0.000 0.222 86 F C 0.700 176.500 175.800 -0.001 0.000 1.028 86 F CA -0.066 57.925 58.000 -0.016 0.000 0.862 86 F CB -2.143 36.840 39.000 -0.029 0.000 0.744 86 F HN 0.592 nan 8.300 nan 0.000 0.850 87 N N -1.506 117.267 118.700 0.122 0.000 2.753 87 N HA -0.266 4.474 4.740 0.000 0.000 0.251 87 N C 1.196 176.781 175.510 0.127 0.000 1.097 87 N CA 1.095 54.212 53.050 0.112 0.000 0.786 87 N CB -1.188 37.372 38.487 0.120 0.000 1.137 87 N HN 0.622 nan 8.380 nan 0.000 0.566 88 L N 0.004 121.284 121.223 0.096 0.000 2.201 88 L HA -0.053 4.287 4.340 0.000 0.000 0.212 88 L C 2.334 179.368 176.870 0.273 0.000 1.105 88 L CA 1.577 56.466 54.840 0.082 0.000 0.775 88 L CB -0.325 41.638 42.059 -0.160 0.000 0.913 88 L HN 0.331 nan 8.230 nan 0.000 0.440 89 G N -0.958 107.969 108.800 0.212 0.000 2.708 89 G HA2 -0.150 3.810 3.960 0.000 0.000 0.210 89 G HA3 -0.150 3.810 3.960 0.000 0.000 0.210 89 G C 1.168 176.154 174.900 0.142 0.000 1.141 89 G CA 0.129 45.345 45.100 0.193 0.000 0.788 89 G HN 0.286 nan 8.290 nan 0.000 0.531 90 E N -0.375 119.922 120.200 0.162 0.000 2.472 90 E HA 0.106 4.456 4.350 0.000 0.000 0.196 90 E C 0.649 177.335 176.600 0.143 0.000 1.033 90 E CA 0.274 56.748 56.400 0.123 0.000 0.886 90 E CB 0.604 30.367 29.700 0.106 0.000 0.944 90 E HN 0.412 nan 8.360 nan 0.000 0.492 91 K N 1.258 121.800 120.400 0.238 0.000 2.705 91 K HA 0.228 4.548 4.320 0.000 0.000 0.238 91 K C -0.730 176.083 176.600 0.356 0.000 0.996 91 K CA -0.330 56.099 56.287 0.236 0.000 1.007 91 K CB 0.824 33.461 32.500 0.228 0.000 1.206 91 K HN -0.230 nan 8.250 nan 0.000 0.488 92 R N 4.144 124.736 120.500 0.153 0.000 3.057 92 R HA 0.242 4.582 4.340 0.000 0.000 0.291 92 R C -2.511 173.828 176.300 0.066 0.000 1.394 92 R CA -1.631 54.502 56.100 0.054 0.000 1.630 92 R CB 0.760 30.958 30.300 -0.169 0.000 1.268 92 R HN 0.437 nan 8.270 nan 0.000 0.621 93 P HA 0.017 nan 4.420 nan 0.000 0.268 93 P C 0.105 177.441 177.300 0.059 0.000 1.204 93 P CA -0.064 63.066 63.100 0.050 0.000 0.768 93 P CB 0.977 32.676 31.700 -0.001 0.000 0.842 94 L N 2.535 123.769 121.223 0.019 0.000 2.513 94 L HA 0.219 4.559 4.340 0.000 0.000 0.272 94 L C 1.815 178.702 176.870 0.028 0.000 1.187 94 L CA 1.079 55.926 54.840 0.012 0.000 0.895 94 L CB -0.593 41.455 42.059 -0.019 0.000 1.147 94 L HN 0.860 nan 8.230 nan 0.000 0.483 95 G N 1.447 110.270 108.800 0.039 0.000 2.232 95 G HA2 -0.291 3.669 3.960 0.000 0.000 0.226 95 G HA3 -0.291 3.669 3.960 0.000 0.000 0.226 95 G C 0.596 175.550 174.900 0.090 0.000 0.996 95 G CA 0.222 45.349 45.100 0.045 0.000 0.626 95 G HN 0.754 nan 8.290 nan 0.000 0.509 96 D N -1.383 119.106 120.400 0.149 0.000 2.880 96 D HA -0.081 4.559 4.640 0.000 0.000 0.198 96 D C 1.796 178.308 176.300 0.354 0.000 1.059 96 D CA 3.616 57.777 54.000 0.267 0.000 1.019 96 D CB -1.382 39.565 40.800 0.245 0.000 1.112 96 D HN 2.287 nan 8.370 nan 0.000 0.424 97 G N -1.572 107.365 108.800 0.228 0.000 2.151 97 G HA2 0.081 4.041 3.960 0.000 0.000 0.156 97 G HA3 0.081 4.041 3.960 0.000 0.000 0.156 97 G C -0.176 174.813 174.900 0.147 0.000 1.017 97 G CA 0.437 45.686 45.100 0.248 0.000 0.686 97 G HN 1.191 nan 8.290 nan 0.000 0.503 98 V N 0.010 119.908 119.914 -0.026 0.000 2.752 98 V HA 0.626 4.746 4.120 0.000 0.000 0.302 98 V C -0.618 175.431 176.094 -0.076 0.000 1.133 98 V CA -0.595 61.587 62.300 -0.196 0.000 0.919 98 V CB 2.243 33.634 31.823 -0.719 0.000 1.026 98 V HN 0.652 nan 8.190 nan 0.000 0.429 99 V N 6.146 126.046 119.914 -0.023 0.000 2.370 99 V HA 0.742 4.862 4.120 0.000 0.000 0.279 99 V C 0.419 176.570 176.094 0.095 0.000 1.029 99 V CA 0.138 62.453 62.300 0.025 0.000 0.870 99 V CB 1.477 33.279 31.823 -0.035 0.000 0.984 99 V HN 1.050 nan 8.190 nan 0.000 0.451 100 T N 1.390 116.036 114.554 0.153 0.000 2.907 100 T HA 0.999 5.349 4.350 0.000 0.000 0.290 100 T C -0.026 174.836 174.700 0.269 0.000 1.066 100 T CA -0.102 62.127 62.100 0.216 0.000 1.012 100 T CB 2.350 71.299 68.868 0.134 0.000 1.184 100 T HN 1.411 nan 8.240 nan 0.000 0.522 101 G N 0.054 109.018 108.800 0.274 0.000 2.368 101 G HA2 0.458 4.418 3.960 0.000 0.000 0.269 101 G HA3 0.458 4.418 3.960 0.000 0.000 0.269 101 G C -2.031 173.029 174.900 0.265 0.000 1.291 101 G CA -0.284 44.876 45.100 0.099 0.000 0.903 101 G HN 1.500 nan 8.290 nan 0.000 0.483 102 Y N -1.894 118.446 120.300 0.067 0.000 2.644 102 Y HA 0.926 5.476 4.550 0.000 0.000 0.338 102 Y C 0.457 176.440 175.900 0.138 0.000 1.119 102 Y CA -0.503 57.664 58.100 0.112 0.000 1.060 102 Y CB 1.323 39.805 38.460 0.037 0.000 1.294 102 Y HN 1.808 nan 8.280 nan 0.000 0.472 103 G N -0.116 108.876 108.800 0.321 0.000 2.529 103 G HA2 0.537 4.497 3.960 0.000 0.000 0.238 103 G HA3 0.537 4.497 3.960 0.000 0.000 0.238 103 G C -1.359 173.642 174.900 0.167 0.000 1.207 103 G CA -0.304 44.930 45.100 0.223 0.000 0.928 103 G HN 1.235 nan 8.290 nan 0.000 0.495 104 T N -1.855 112.766 114.554 0.111 0.000 2.896 104 T HA 0.763 5.113 4.350 0.000 0.000 0.297 104 T C -1.045 173.676 174.700 0.034 0.000 1.108 104 T CA -0.613 61.527 62.100 0.067 0.000 1.004 104 T CB 2.069 70.970 68.868 0.055 0.000 1.159 104 T HN 0.649 nan 8.240 nan 0.000 0.499 105 I N 1.724 122.301 120.570 0.013 0.000 2.497 105 I HA 0.310 4.480 4.170 0.000 0.000 0.284 105 I C -0.878 175.232 176.117 -0.012 0.000 1.060 105 I CA -0.582 60.713 61.300 -0.007 0.000 1.071 105 I CB 1.613 39.600 38.000 -0.022 0.000 1.216 105 I HN 0.760 nan 8.210 nan 0.000 0.442 106 D N 5.232 125.626 120.400 -0.010 0.000 2.716 106 D HA -0.167 4.473 4.640 0.000 0.000 0.239 106 D C 1.129 177.426 176.300 -0.005 0.000 1.125 106 D CA 1.753 55.747 54.000 -0.011 0.000 0.681 106 D CB -0.923 39.866 40.800 -0.019 0.000 1.070 106 D HN 1.134 nan 8.370 nan 0.000 0.432 107 G N -0.505 108.297 108.800 0.002 0.000 2.189 107 G HA2 -0.399 3.561 3.960 0.000 0.000 0.267 107 G HA3 -0.399 3.561 3.960 0.000 0.000 0.267 107 G C 0.365 175.269 174.900 0.007 0.000 0.975 107 G CA 0.770 45.874 45.100 0.007 0.000 0.644 107 G HN 0.563 nan 8.290 nan 0.000 0.537 108 R N 0.328 120.830 120.500 0.003 0.000 2.514 108 R HA 0.502 4.842 4.340 0.000 0.000 0.301 108 R C -1.011 175.298 176.300 0.015 0.000 0.962 108 R CA -0.956 55.144 56.100 0.001 0.000 0.882 108 R CB 0.982 31.271 30.300 -0.017 0.000 1.143 108 R HN 0.129 nan 8.270 nan 0.000 0.452 109 D N 1.701 122.113 120.400 0.021 0.000 2.424 109 D HA 0.220 4.860 4.640 0.000 0.000 0.244 109 D C -0.420 175.903 176.300 0.038 0.000 1.134 109 D CA 0.343 54.368 54.000 0.042 0.000 0.881 109 D CB 1.000 41.813 40.800 0.022 0.000 1.191 109 D HN 0.240 nan 8.370 nan 0.000 0.445 110 V N -0.563 119.396 119.914 0.075 0.000 3.012 110 V HA 0.564 4.684 4.120 0.000 0.000 0.307 110 V C -0.611 175.562 176.094 0.132 0.000 1.166 110 V CA -1.032 61.310 62.300 0.071 0.000 0.974 110 V CB 1.435 33.283 31.823 0.043 0.000 1.040 110 V HN 0.596 nan 8.190 nan 0.000 0.428 111 C N 4.058 123.431 119.300 0.123 0.000 2.358 111 C HA 0.890 5.350 4.460 0.000 0.000 0.342 111 C C 0.060 175.151 174.990 0.169 0.000 1.234 111 C CA -0.299 58.827 59.018 0.180 0.000 1.969 111 C CB 0.356 28.186 27.740 0.149 0.000 2.346 111 C HN 1.011 nan 8.230 nan 0.000 0.525 112 I N 1.951 122.645 120.570 0.207 0.000 3.102 112 I HA 0.805 4.975 4.170 0.000 0.000 0.310 112 I C -1.684 174.568 176.117 0.225 0.000 1.246 112 I CA -0.783 60.597 61.300 0.134 0.000 0.979 112 I CB 2.013 40.018 38.000 0.009 0.000 1.267 112 I HN 0.808 nan 8.210 nan 0.000 0.451 113 F N 2.720 122.678 119.950 0.013 0.000 2.665 113 F HA 0.755 5.282 4.527 0.000 0.000 0.308 113 F C -1.520 174.253 175.800 -0.045 0.000 1.112 113 F CA -0.722 57.270 58.000 -0.015 0.000 0.972 113 F CB 1.492 40.488 39.000 -0.007 0.000 1.295 113 F HN 0.272 nan 8.300 nan 0.000 0.440 114 S N 1.909 117.596 115.700 -0.023 0.000 2.677 114 S HA 0.391 4.861 4.470 0.000 0.000 0.283 114 S C -1.438 173.186 174.600 0.040 0.000 1.159 114 S CA -0.658 57.483 58.200 -0.099 0.000 1.001 114 S CB 1.260 64.360 63.200 -0.167 0.000 1.032 114 S HN 0.757 nan 8.310 nan 0.000 0.487 115 Q N 2.539 122.403 119.800 0.107 0.000 2.304 115 Q HA 0.255 4.595 4.340 0.000 0.000 0.260 115 Q C -1.009 175.073 176.000 0.136 0.000 0.965 115 Q CA -0.396 55.510 55.803 0.170 0.000 0.898 115 Q CB 0.708 29.641 28.738 0.326 0.000 1.196 115 Q HN 0.506 nan 8.270 nan 0.000 0.402 116 D N 1.078 121.572 120.400 0.156 0.000 2.443 116 D HA 0.288 4.928 4.640 0.000 0.000 0.221 116 D C 0.335 176.730 176.300 0.159 0.000 1.097 116 D CA -0.281 53.794 54.000 0.125 0.000 0.865 116 D CB 1.046 41.901 40.800 0.092 0.000 1.034 116 D HN 0.610 nan 8.370 nan 0.000 0.511 117 A N 2.661 125.556 122.820 0.127 0.000 2.125 117 A HA -0.132 4.188 4.320 0.000 0.000 0.219 117 A C 1.995 179.632 177.584 0.088 0.000 1.156 117 A CA 1.773 53.881 52.037 0.119 0.000 0.671 117 A CB -0.663 18.391 19.000 0.090 0.000 0.794 117 A HN 0.625 nan 8.150 nan 0.000 0.459 118 T N -3.099 111.492 114.554 0.061 0.000 3.035 118 T HA 0.123 4.473 4.350 0.000 0.000 0.268 118 T C 0.470 175.163 174.700 -0.011 0.000 1.109 118 T CA 0.758 62.871 62.100 0.022 0.000 1.119 118 T CB -0.443 68.428 68.868 0.006 0.000 0.900 118 T HN 0.025 nan 8.240 nan 0.000 0.503 119 V N 2.789 122.717 119.914 0.024 0.000 2.333 119 V HA 0.382 4.502 4.120 0.000 0.000 0.274 119 V C -0.132 176.008 176.094 0.077 0.000 1.028 119 V CA -0.933 61.337 62.300 -0.050 0.000 0.851 119 V CB -0.628 31.230 31.823 0.059 0.000 1.000 119 V HN 0.488 nan 8.190 nan 0.000 0.456 120 F N 3.710 123.703 119.950 0.071 0.000 3.090 120 F HA -0.245 4.282 4.527 0.000 0.000 0.282 120 F C 1.722 177.551 175.800 0.047 0.000 0.923 120 F CA 1.253 59.281 58.000 0.046 0.000 0.977 120 F CB -1.769 37.244 39.000 0.022 0.000 0.954 120 F HN 0.889 nan 8.300 nan 0.000 0.695 121 G N -1.238 107.666 108.800 0.172 0.000 2.196 121 G HA2 0.085 4.045 3.960 0.000 0.000 0.268 121 G HA3 0.085 4.045 3.960 0.000 0.000 0.268 121 G C 1.606 176.608 174.900 0.169 0.000 0.975 121 G CA 1.156 46.343 45.100 0.144 0.000 0.648 121 G HN 2.227 nan 8.290 nan 0.000 0.538 122 G N -1.721 107.211 108.800 0.220 0.000 2.132 122 G HA2 0.026 3.986 3.960 0.000 0.000 0.228 122 G HA3 0.026 3.986 3.960 0.000 0.000 0.228 122 G C 0.283 175.309 174.900 0.209 0.000 1.000 122 G CA 0.737 46.010 45.100 0.289 0.000 0.693 122 G HN 1.662 nan 8.290 nan 0.000 0.515 123 S N -0.391 115.346 115.700 0.062 0.000 2.565 123 S HA 0.498 4.968 4.470 0.000 0.000 0.276 123 S C 0.582 174.801 174.600 -0.634 0.000 1.326 123 S CA -0.363 57.747 58.200 -0.150 0.000 1.045 123 S CB 1.595 64.745 63.200 -0.084 0.000 0.918 123 S HN 0.795 nan 8.310 nan 0.000 0.505 124 L N 3.720 124.454 121.223 -0.816 0.000 2.360 124 L HA 0.592 4.932 4.340 0.000 0.000 0.276 124 L C 0.573 177.004 176.870 -0.732 0.000 1.121 124 L CA 0.058 54.154 54.840 -1.239 0.000 0.845 124 L CB -0.024 41.400 42.059 -1.058 0.000 1.143 124 L HN 0.706 nan 8.230 nan 0.000 0.452 125 G N 2.723 111.192 108.800 -0.550 0.000 3.016 125 G HA2 0.194 4.154 3.960 0.000 0.000 0.270 125 G HA3 0.194 4.154 3.960 0.000 0.000 0.270 125 G C 0.110 174.896 174.900 -0.190 0.000 1.352 125 G CA -0.154 44.761 45.100 -0.309 0.000 1.060 125 G HN 0.758 nan 8.290 nan 0.000 0.538 126 E N -1.336 118.786 120.200 -0.130 0.000 2.031 126 E HA -0.157 4.193 4.350 0.000 0.000 0.193 126 E C 2.504 179.089 176.600 -0.024 0.000 0.994 126 E CA 1.611 57.961 56.400 -0.084 0.000 0.800 126 E CB -0.090 29.573 29.700 -0.060 0.000 0.752 126 E HN 0.188 nan 8.360 nan 0.000 0.447 127 V N 0.563 120.496 119.914 0.031 0.000 2.307 127 V HA -0.244 3.876 4.120 0.000 0.000 0.245 127 V C 2.195 178.344 176.094 0.090 0.000 1.045 127 V CA 1.972 64.305 62.300 0.055 0.000 1.024 127 V CB -0.886 30.986 31.823 0.082 0.000 0.651 127 V HN 0.419 nan 8.190 nan 0.000 0.449 128 Y N 2.323 122.604 120.300 -0.032 0.000 2.102 128 Y HA -0.255 4.295 4.550 0.000 0.000 0.280 128 Y C 2.314 178.154 175.900 -0.100 0.000 1.178 128 Y CA 1.808 59.887 58.100 -0.035 0.000 1.146 128 Y CB -1.058 37.390 38.460 -0.021 0.000 0.968 128 Y HN 0.173 nan 8.280 nan 0.000 0.504 129 G N -0.409 108.523 108.800 0.220 0.000 2.421 129 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 129 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 129 G C 1.533 176.401 174.900 -0.055 0.000 1.171 129 G CA 0.891 46.005 45.100 0.022 0.000 0.775 129 G HN 0.531 nan 8.290 nan 0.000 0.543 130 E N 0.411 120.585 120.200 -0.043 0.000 2.130 130 E HA -0.161 4.189 4.350 0.000 0.000 0.196 130 E C 2.536 179.102 176.600 -0.057 0.000 0.998 130 E CA 1.101 57.471 56.400 -0.050 0.000 0.806 130 E CB -0.079 29.602 29.700 -0.031 0.000 0.738 130 E HN 0.419 nan 8.360 nan 0.000 0.459 131 K N 0.338 120.703 120.400 -0.058 0.000 2.097 131 K HA -0.104 4.216 4.320 0.000 0.000 0.206 131 K C 2.121 178.650 176.600 -0.119 0.000 1.049 131 K CA 0.987 57.231 56.287 -0.072 0.000 0.933 131 K CB -0.077 32.376 32.500 -0.078 0.000 0.717 131 K HN 0.163 nan 8.250 nan 0.000 0.442 132 I N 0.849 121.296 120.570 -0.205 0.000 2.394 132 I HA -0.220 3.950 4.170 0.000 0.000 0.251 132 I C 2.034 178.018 176.117 -0.222 0.000 1.136 132 I CA 0.825 61.913 61.300 -0.353 0.000 1.425 132 I CB -0.138 37.541 38.000 -0.535 0.000 1.079 132 I HN -0.070 nan 8.210 nan 0.000 0.425 133 V N 0.977 120.806 119.914 -0.140 0.000 2.515 133 V HA -0.271 3.849 4.120 0.000 0.000 0.250 133 V C 2.486 178.549 176.094 -0.051 0.000 1.058 133 V CA 1.705 63.952 62.300 -0.088 0.000 1.064 133 V CB -0.712 31.069 31.823 -0.071 0.000 0.675 133 V HN 0.422 nan 8.190 nan 0.000 0.461 134 K N 0.735 121.109 120.400 -0.044 0.000 2.025 134 K HA -0.148 4.172 4.320 0.000 0.000 0.207 134 K C 2.100 178.706 176.600 0.010 0.000 1.049 134 K CA 1.871 58.151 56.287 -0.013 0.000 0.933 134 K CB -0.141 32.355 32.500 -0.005 0.000 0.714 134 K HN 0.475 nan 8.250 nan 0.000 0.438 135 V N -0.798 119.127 119.914 0.020 0.000 2.626 135 V HA -0.182 3.938 4.120 0.000 0.000 0.252 135 V C 2.013 178.149 176.094 0.070 0.000 1.067 135 V CA 1.297 63.643 62.300 0.077 0.000 1.081 135 V CB -0.680 31.229 31.823 0.144 0.000 0.686 135 V HN 0.306 nan 8.190 nan 0.000 0.468 136 Q N 0.533 120.350 119.800 0.029 0.000 2.020 136 Q HA -0.155 4.185 4.340 0.000 0.000 0.198 136 Q C 2.406 178.426 176.000 0.034 0.000 0.974 136 Q CA 1.973 57.801 55.803 0.041 0.000 0.829 136 Q CB -0.193 28.552 28.738 0.012 0.000 0.894 136 Q HN 0.743 nan 8.270 nan 0.000 0.433 137 E N 0.584 120.792 120.200 0.015 0.000 2.153 137 E HA -0.195 4.155 4.350 0.000 0.000 0.194 137 E C 1.979 178.584 176.600 0.008 0.000 0.988 137 E CA 0.648 57.054 56.400 0.010 0.000 0.811 137 E CB -0.037 29.663 29.700 0.000 0.000 0.746 137 E HN 0.148 nan 8.360 nan 0.000 0.466 138 L N 0.886 122.115 121.223 0.010 0.000 2.005 138 L HA -0.125 4.215 4.340 0.000 0.000 0.207 138 L C 2.250 179.116 176.870 -0.007 0.000 1.072 138 L CA 1.978 56.814 54.840 -0.008 0.000 0.744 138 L CB -0.532 41.528 42.059 0.001 0.000 0.895 138 L HN 0.033 nan 8.230 nan 0.000 0.433 139 A N -0.089 122.747 122.820 0.026 0.000 1.883 139 A HA -0.212 4.108 4.320 0.000 0.000 0.217 139 A C 2.256 179.858 177.584 0.030 0.000 1.186 139 A CA 2.304 54.362 52.037 0.036 0.000 0.624 139 A CB -1.009 18.034 19.000 0.073 0.000 0.822 139 A HN 0.538 nan 8.150 nan 0.000 0.444 140 I N -0.552 120.040 120.570 0.035 0.000 2.226 140 I HA -0.257 3.913 4.170 0.000 0.000 0.245 140 I C 2.562 178.690 176.117 0.018 0.000 1.100 140 I CA 1.818 63.139 61.300 0.035 0.000 1.374 140 I CB -0.306 37.716 38.000 0.037 0.000 1.057 140 I HN 0.402 nan 8.210 nan 0.000 0.413 141 K N 1.039 121.442 120.400 0.005 0.000 2.026 141 K HA -0.214 4.106 4.320 0.000 0.000 0.208 141 K C 2.111 178.701 176.600 -0.016 0.000 1.048 141 K CA 2.287 58.570 56.287 -0.007 0.000 0.929 141 K CB -0.193 32.297 32.500 -0.017 0.000 0.713 141 K HN 0.435 nan 8.250 nan 0.000 0.439 142 T N -2.951 111.586 114.554 -0.028 0.000 3.055 142 T HA 0.100 4.450 4.350 0.000 0.000 0.265 142 T C 1.246 175.934 174.700 -0.019 0.000 1.111 142 T CA 0.721 62.797 62.100 -0.040 0.000 1.118 142 T CB -0.176 68.648 68.868 -0.073 0.000 0.909 142 T HN 0.446 nan 8.240 nan 0.000 0.501 143 G N 2.123 110.923 108.800 -0.000 0.000 2.198 143 G HA2 -0.197 3.763 3.960 0.000 0.000 0.257 143 G HA3 -0.197 3.763 3.960 0.000 0.000 0.257 143 G C -0.119 174.789 174.900 0.013 0.000 1.042 143 G CA -0.306 44.804 45.100 0.016 0.000 0.791 143 G HN 0.662 nan 8.290 nan 0.000 0.502 144 R N -0.839 119.666 120.500 0.009 0.000 2.832 144 R HA 0.591 4.931 4.340 0.000 0.000 0.271 144 R C -2.778 173.532 176.300 0.016 0.000 0.996 144 R CA -2.646 53.456 56.100 0.004 0.000 0.977 144 R CB 0.356 30.654 30.300 -0.003 0.000 1.168 144 R HN 0.023 nan 8.270 nan 0.000 0.482 145 P HA 0.024 nan 4.420 nan 0.000 0.267 145 P C -0.634 176.691 177.300 0.042 0.000 1.200 145 P CA -0.182 62.917 63.100 -0.002 0.000 0.772 145 P CB 0.444 32.119 31.700 -0.042 0.000 0.855 146 L N 4.760 126.023 121.223 0.067 0.000 2.333 146 L HA 0.549 4.889 4.340 0.000 0.000 0.280 146 L C -1.168 175.762 176.870 0.099 0.000 1.004 146 L CA -0.191 54.716 54.840 0.112 0.000 0.820 146 L CB 0.706 42.857 42.059 0.152 0.000 1.247 146 L HN 0.237 nan 8.230 nan 0.000 0.416 147 I N 4.393 125.003 120.570 0.067 0.000 2.465 147 I HA 0.652 4.822 4.170 0.000 0.000 0.291 147 I C 0.201 176.197 176.117 -0.202 0.000 1.014 147 I CA -0.614 60.674 61.300 -0.020 0.000 1.093 147 I CB 2.063 40.037 38.000 -0.043 0.000 1.267 147 I HN 0.778 nan 8.210 nan 0.000 0.431 148 G N 6.774 115.375 108.800 -0.332 0.000 2.590 148 G HA2 0.707 4.667 3.960 0.000 0.000 0.310 148 G HA3 0.707 4.667 3.960 0.000 0.000 0.310 148 G C -0.886 173.643 174.900 -0.619 0.000 1.347 148 G CA -0.415 44.046 45.100 -1.065 0.000 0.963 148 G HN 0.483 nan 8.290 nan 0.000 0.494 149 I N 2.290 122.462 120.570 -0.664 0.000 2.306 149 I HA 0.174 4.344 4.170 0.000 0.000 0.288 149 I C -0.568 175.463 176.117 -0.145 0.000 1.036 149 I CA -0.792 60.356 61.300 -0.253 0.000 1.221 149 I CB 1.137 39.040 38.000 -0.161 0.000 1.385 149 I HN 0.318 nan 8.210 nan 0.000 0.472 150 N N 5.166 123.832 118.700 -0.058 0.000 2.498 150 N HA 0.502 5.242 4.740 0.000 0.000 0.287 150 N C -0.922 174.573 175.510 -0.026 0.000 1.097 150 N CA -0.420 52.626 53.050 -0.007 0.000 0.973 150 N CB 0.958 39.413 38.487 -0.053 0.000 1.153 150 N HN 0.444 nan 8.380 nan 0.000 0.472 151 D N 0.328 120.724 120.400 -0.006 0.000 2.301 151 D HA 0.500 5.140 4.640 0.000 0.000 0.187 151 D C -1.020 175.323 176.300 0.071 0.000 1.264 151 D CA -0.055 53.950 54.000 0.008 0.000 0.849 151 D CB 0.339 41.164 40.800 0.042 0.000 1.828 151 D HN 0.713 nan 8.370 nan 0.000 0.526 152 G N 0.912 109.730 108.800 0.029 0.000 2.352 152 G HA2 0.616 4.576 3.960 0.000 0.000 0.305 152 G HA3 0.616 4.576 3.960 0.000 0.000 0.305 152 G C -0.585 174.390 174.900 0.126 0.000 1.537 152 G CA -0.062 45.116 45.100 0.130 0.000 0.959 152 G HN 0.664 nan 8.290 nan 0.000 0.668 153 A N -0.108 122.806 122.820 0.157 0.000 2.256 153 A HA 0.862 5.182 4.320 0.000 0.000 0.276 153 A C 1.704 179.439 177.584 0.252 0.000 1.259 153 A CA 1.148 53.272 52.037 0.145 0.000 0.813 153 A CB -0.407 18.663 19.000 0.118 0.000 1.200 153 A HN 2.328 nan 8.150 nan 0.000 0.506 154 G N -1.201 107.703 108.800 0.173 0.000 2.421 154 G HA2 0.453 4.413 3.960 0.000 0.000 0.238 154 G HA3 0.453 4.413 3.960 0.000 0.000 0.238 154 G C 0.660 175.643 174.900 0.138 0.000 1.544 154 G CA 0.349 45.552 45.100 0.171 0.000 1.044 154 G HN 1.508 nan 8.290 nan 0.000 0.537 155 A N -1.166 121.754 122.820 0.167 0.000 2.313 155 A HA 0.552 4.872 4.320 0.000 0.000 0.261 155 A C 0.756 178.307 177.584 -0.056 0.000 1.090 155 A CA -0.412 51.664 52.037 0.066 0.000 0.807 155 A CB 0.300 19.399 19.000 0.165 0.000 1.055 155 A HN 0.499 nan 8.150 nan 0.000 0.492 156 R N 1.683 122.080 120.500 -0.171 0.000 2.419 156 R HA 0.264 4.604 4.340 0.000 0.000 0.305 156 R C 0.647 176.865 176.300 -0.138 0.000 1.242 156 R CA -0.186 55.801 56.100 -0.187 0.000 1.105 156 R CB -0.330 29.779 30.300 -0.320 0.000 1.116 156 R HN 0.804 nan 8.270 nan 0.000 0.523 157 I N 2.461 122.985 120.570 -0.077 0.000 2.185 157 I HA -0.406 3.764 4.170 0.000 0.000 0.246 157 I C 1.629 177.741 176.117 -0.010 0.000 1.088 157 I CA 1.556 62.830 61.300 -0.044 0.000 1.347 157 I CB -0.092 37.879 38.000 -0.048 0.000 1.041 157 I HN 0.590 nan 8.210 nan 0.000 0.415 158 Q N 0.345 120.136 119.800 -0.015 0.000 2.297 158 Q HA -0.236 4.104 4.340 0.000 0.000 0.208 158 Q C 1.954 178.010 176.000 0.094 0.000 0.981 158 Q CA 1.279 57.184 55.803 0.170 0.000 0.876 158 Q CB -0.241 28.566 28.738 0.115 0.000 0.921 158 Q HN 0.504 nan 8.270 nan 0.000 0.446 159 E N -0.726 119.433 120.200 -0.069 0.000 2.371 159 E HA 0.129 4.479 4.350 0.000 0.000 0.194 159 E C 0.483 177.044 176.600 -0.064 0.000 1.012 159 E CA 0.438 56.767 56.400 -0.117 0.000 0.860 159 E CB 0.208 29.790 29.700 -0.197 0.000 0.811 159 E HN 0.334 nan 8.360 nan 0.000 0.502 160 G N -0.230 108.560 108.800 -0.017 0.000 2.660 160 G HA2 -0.284 3.676 3.960 0.000 0.000 0.247 160 G HA3 -0.284 3.676 3.960 0.000 0.000 0.247 160 G C 0.667 175.553 174.900 -0.022 0.000 1.328 160 G CA -0.231 44.868 45.100 -0.001 0.000 0.884 160 G HN 0.508 nan 8.290 nan 0.000 0.531 161 V N -0.802 119.107 119.914 -0.010 0.000 3.330 161 V HA -0.026 4.094 4.120 0.000 0.000 0.273 161 V C 2.659 178.733 176.094 -0.034 0.000 1.179 161 V CA 2.227 64.521 62.300 -0.009 0.000 1.174 161 V CB -1.085 30.740 31.823 0.003 0.000 0.794 161 V HN 1.321 nan 8.190 nan 0.000 0.527 162 V N 2.286 122.166 119.914 -0.057 0.000 2.252 162 V HA -0.297 3.823 4.120 0.000 0.000 0.249 162 V C 3.009 179.030 176.094 -0.122 0.000 1.056 162 V CA 2.684 64.936 62.300 -0.080 0.000 1.022 162 V CB -1.505 30.263 31.823 -0.092 0.000 0.641 162 V HN 0.814 nan 8.190 nan 0.000 0.445 163 S N 1.167 116.767 115.700 -0.167 0.000 2.372 163 S HA -0.243 4.227 4.470 0.000 0.000 0.227 163 S C 1.953 176.389 174.600 -0.273 0.000 1.044 163 S CA 2.012 60.032 58.200 -0.300 0.000 1.050 163 S CB -0.985 62.019 63.200 -0.326 0.000 0.901 163 S HN 0.538 nan 8.310 nan 0.000 0.447 164 L N 1.676 122.863 121.223 -0.061 0.000 2.079 164 L HA -0.060 4.280 4.340 0.000 0.000 0.210 164 L C 2.993 179.875 176.870 0.019 0.000 1.081 164 L CA 1.321 56.213 54.840 0.087 0.000 0.752 164 L CB -1.556 40.559 42.059 0.094 0.000 0.896 164 L HN 0.536 nan 8.230 nan 0.000 0.433 165 G N 0.065 108.841 108.800 -0.041 0.000 2.448 165 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 165 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 165 G C 1.658 176.504 174.900 -0.089 0.000 1.127 165 G CA 0.492 45.564 45.100 -0.046 0.000 0.766 165 G HN 0.249 nan 8.290 nan 0.000 0.552 166 L N -1.407 119.714 121.223 -0.170 0.000 2.202 166 L HA 0.132 4.472 4.340 0.000 0.000 0.205 166 L C 2.533 179.246 176.870 -0.262 0.000 1.083 166 L CA 0.218 54.928 54.840 -0.218 0.000 0.790 166 L CB -0.266 41.626 42.059 -0.280 0.000 0.942 166 L HN 0.069 nan 8.230 nan 0.000 0.452 167 Y N 0.366 120.467 120.300 -0.331 0.000 2.128 167 Y HA -0.273 4.277 4.550 0.000 0.000 0.284 167 Y C 2.973 178.308 175.900 -0.941 0.000 1.154 167 Y CA 1.327 59.022 58.100 -0.674 0.000 1.149 167 Y CB -0.827 37.347 38.460 -0.477 0.000 0.976 167 Y HN 0.105 nan 8.280 nan 0.000 0.505 168 S N -0.614 114.973 115.700 -0.188 0.000 2.368 168 S HA -0.215 4.255 4.470 0.000 0.000 0.225 168 S C 2.113 176.699 174.600 -0.024 0.000 1.030 168 S CA 1.390 59.602 58.200 0.020 0.000 0.999 168 S CB -0.255 62.998 63.200 0.089 0.000 0.844 168 S HN 0.323 nan 8.310 nan 0.000 0.459 169 R N 0.960 121.410 120.500 -0.083 0.000 2.073 169 R HA 0.035 4.375 4.340 0.000 0.000 0.234 169 R C 2.110 178.373 176.300 -0.062 0.000 1.134 169 R CA 1.345 57.411 56.100 -0.057 0.000 0.952 169 R CB -0.417 29.838 30.300 -0.075 0.000 0.850 169 R HN 0.396 nan 8.270 nan 0.000 0.433 170 I N -0.181 120.299 120.570 -0.150 0.000 2.179 170 I HA -0.276 3.894 4.170 0.000 0.000 0.242 170 I C 1.678 177.810 176.117 0.026 0.000 1.088 170 I CA 1.109 62.342 61.300 -0.112 0.000 1.357 170 I CB -0.360 37.533 38.000 -0.178 0.000 1.051 170 I HN 0.109 nan 8.210 nan 0.000 0.409 171 F N 0.960 120.961 119.950 0.084 0.000 2.095 171 F HA -0.205 4.322 4.527 0.000 0.000 0.298 171 F C 2.710 178.532 175.800 0.036 0.000 1.104 171 F CA 1.310 59.347 58.000 0.063 0.000 1.232 171 F CB -1.180 37.843 39.000 0.038 0.000 0.987 171 F HN -0.026 nan 8.300 nan 0.000 0.475 172 R N 0.454 121.084 120.500 0.217 0.000 2.083 172 R HA -0.180 4.160 4.340 0.000 0.000 0.237 172 R C 2.104 178.458 176.300 0.090 0.000 1.137 172 R CA 1.637 57.809 56.100 0.121 0.000 0.951 172 R CB -0.333 30.014 30.300 0.078 0.000 0.851 172 R HN 0.221 nan 8.270 nan 0.000 0.434 173 N N 0.915 119.661 118.700 0.076 0.000 2.104 173 N HA -0.181 4.559 4.740 0.000 0.000 0.190 173 N C 1.399 176.959 175.510 0.085 0.000 1.024 173 N CA 1.114 54.202 53.050 0.063 0.000 0.853 173 N CB -0.603 37.910 38.487 0.043 0.000 1.008 173 N HN 0.274 nan 8.380 nan 0.000 0.424 174 N N 1.612 120.383 118.700 0.119 0.000 2.018 174 N HA -0.130 4.610 4.740 0.000 0.000 0.196 174 N C 1.916 177.484 175.510 0.097 0.000 1.043 174 N CA 1.224 54.354 53.050 0.133 0.000 0.856 174 N CB -0.432 38.168 38.487 0.188 0.000 1.042 174 N HN 0.479 nan 8.380 nan 0.000 0.423 175 I N -1.463 119.157 120.570 0.083 0.000 2.493 175 I HA -0.132 4.038 4.170 0.000 0.000 0.254 175 I C 2.001 178.137 176.117 0.031 0.000 1.160 175 I CA 1.067 62.391 61.300 0.041 0.000 1.445 175 I CB -0.429 37.581 38.000 0.017 0.000 1.086 175 I HN 0.002 nan 8.210 nan 0.000 0.433 176 L N 1.459 122.708 121.223 0.043 0.000 2.093 176 L HA -0.065 4.275 4.340 0.000 0.000 0.208 176 L C 2.919 179.813 176.870 0.040 0.000 1.085 176 L CA 1.343 56.204 54.840 0.035 0.000 0.755 176 L CB -0.443 41.638 42.059 0.037 0.000 0.904 176 L HN 0.377 nan 8.230 nan 0.000 0.435 177 A N -1.380 121.475 122.820 0.057 0.000 2.169 177 A HA -0.041 4.279 4.320 0.000 0.000 0.212 177 A C 1.406 179.038 177.584 0.079 0.000 1.153 177 A CA 0.184 52.265 52.037 0.073 0.000 0.756 177 A CB -0.247 18.807 19.000 0.091 0.000 0.813 177 A HN 0.261 nan 8.150 nan 0.000 0.471 178 S N -0.066 115.667 115.700 0.056 0.000 2.629 178 S HA 0.349 4.819 4.470 0.000 0.000 0.302 178 S C 1.447 176.035 174.600 -0.019 0.000 1.244 178 S CA 0.985 59.205 58.200 0.033 0.000 1.098 178 S CB -0.362 62.843 63.200 0.009 0.000 0.858 178 S HN 1.809 nan 8.310 nan 0.000 0.502 179 G N 3.014 111.776 108.800 -0.062 0.000 2.179 179 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 179 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 179 G C 0.634 175.396 174.900 -0.230 0.000 0.977 179 G CA 0.385 45.309 45.100 -0.293 0.000 0.641 179 G HN 0.817 nan 8.290 nan 0.000 0.533 180 V N 0.031 119.952 119.914 0.013 0.000 2.627 180 V HA 0.429 4.549 4.120 0.000 0.000 0.239 180 V C 1.090 177.342 176.094 0.263 0.000 1.077 180 V CA 1.071 63.424 62.300 0.089 0.000 1.103 180 V CB 0.204 32.067 31.823 0.067 0.000 0.802 180 V HN 0.281 nan 8.190 nan 0.000 0.482 181 I N 0.784 121.527 120.570 0.288 0.000 2.509 181 I HA 0.460 4.630 4.170 0.000 0.000 0.293 181 I C -2.847 173.430 176.117 0.267 0.000 1.020 181 I CA -2.946 58.507 61.300 0.255 0.000 1.088 181 I CB 1.507 39.586 38.000 0.132 0.000 1.267 181 I HN 0.052 nan 8.210 nan 0.000 0.430 182 P HA 0.136 nan 4.420 nan 0.000 0.267 182 P C -1.056 176.263 177.300 0.031 0.000 1.205 182 P CA 0.003 62.983 63.100 -0.200 0.000 0.765 182 P CB 0.345 31.760 31.700 -0.475 0.000 0.828 183 Q N 2.830 122.693 119.800 0.105 0.000 2.309 183 Q HA 0.496 4.836 4.340 0.000 0.000 0.270 183 Q C -0.844 175.245 176.000 0.148 0.000 1.023 183 Q CA -0.675 55.203 55.803 0.125 0.000 0.758 183 Q CB 1.523 30.344 28.738 0.139 0.000 1.247 183 Q HN 0.330 nan 8.270 nan 0.000 0.455 184 I N 1.209 121.867 120.570 0.146 0.000 2.441 184 I HA 0.286 4.456 4.170 0.000 0.000 0.295 184 I C -0.189 176.006 176.117 0.130 0.000 0.994 184 I CA -0.091 61.316 61.300 0.179 0.000 1.144 184 I CB 2.175 40.267 38.000 0.153 0.000 1.314 184 I HN 0.398 nan 8.210 nan 0.000 0.445 185 S N 6.261 122.050 115.700 0.149 0.000 2.530 185 S HA 0.609 5.079 4.470 0.000 0.000 0.322 185 S C -0.513 174.141 174.600 0.090 0.000 1.085 185 S CA -0.553 57.708 58.200 0.102 0.000 1.096 185 S CB 0.668 63.939 63.200 0.118 0.000 0.988 185 S HN 0.343 nan 8.310 nan 0.000 0.466 186 L N 4.385 125.633 121.223 0.040 0.000 2.272 186 L HA 0.510 4.850 4.340 0.000 0.000 0.289 186 L C -0.694 176.182 176.870 0.010 0.000 1.032 186 L CA -0.584 54.285 54.840 0.050 0.000 0.810 186 L CB 0.850 42.955 42.059 0.076 0.000 1.205 186 L HN 0.494 nan 8.230 nan 0.000 0.422 187 I N 5.599 126.171 120.570 0.003 0.000 2.347 187 I HA 0.198 4.368 4.170 0.000 0.000 0.283 187 I C 0.559 176.659 176.117 -0.027 0.000 1.058 187 I CA 0.052 61.336 61.300 -0.028 0.000 1.202 187 I CB 1.214 39.186 38.000 -0.046 0.000 1.386 187 I HN 0.791 nan 8.210 nan 0.000 0.475 188 M N 3.123 122.712 119.600 -0.018 0.000 2.313 188 M HA 0.317 4.797 4.480 0.000 0.000 0.273 188 M C 0.872 177.168 176.300 -0.007 0.000 1.049 188 M CA 0.004 55.294 55.300 -0.016 0.000 1.004 188 M CB 1.044 33.648 32.600 0.006 0.000 1.461 188 M HN 0.507 nan 8.290 nan 0.000 0.514 189 G N 0.759 109.550 108.800 -0.015 0.000 3.251 189 G HA2 0.760 4.720 3.960 0.000 0.000 0.248 189 G HA3 0.760 4.720 3.960 0.000 0.000 0.248 189 G C -1.514 173.368 174.900 -0.029 0.000 1.320 189 G CA -0.600 44.495 45.100 -0.008 0.000 0.982 189 G HN 0.216 nan 8.290 nan 0.000 0.575 190 A N -0.549 122.254 122.820 -0.029 0.000 2.252 190 A HA 0.720 5.040 4.320 0.000 0.000 0.309 190 A C 0.293 177.758 177.584 -0.198 0.000 1.285 190 A CA 0.152 52.143 52.037 -0.078 0.000 0.900 190 A CB 0.253 19.264 19.000 0.017 0.000 1.157 190 A HN 1.672 nan 8.150 nan 0.000 0.536 191 A N 2.473 125.095 122.820 -0.330 0.000 2.260 191 A HA 0.724 5.044 4.320 0.000 0.000 0.308 191 A C 0.353 177.564 177.584 -0.622 0.000 1.254 191 A CA 0.249 52.050 52.037 -0.394 0.000 0.874 191 A CB 0.288 19.080 19.000 -0.347 0.000 1.153 191 A HN 1.932 nan 8.150 nan 0.000 0.527 192 A N 2.152 124.721 122.820 -0.417 0.000 2.384 192 A HA 0.966 5.286 4.320 0.000 0.000 0.312 192 A C 0.625 178.163 177.584 -0.078 0.000 1.113 192 A CA 0.090 51.895 52.037 -0.387 0.000 0.779 192 A CB 0.831 19.739 19.000 -0.152 0.000 1.307 192 A HN 2.837 nan 8.150 nan 0.000 0.436 193 G N -0.127 108.663 108.800 -0.016 0.000 2.741 193 G HA2 0.210 4.170 3.960 0.000 0.000 0.222 193 G HA3 0.210 4.170 3.960 0.000 0.000 0.222 193 G C 1.016 175.888 174.900 -0.047 0.000 1.364 193 G CA 0.203 45.312 45.100 0.016 0.000 0.866 193 G HN 2.074 nan 8.290 nan 0.000 0.555 194 G N -1.460 107.327 108.800 -0.021 0.000 2.586 194 G HA2 -0.076 3.884 3.960 0.000 0.000 0.215 194 G HA3 -0.076 3.884 3.960 0.000 0.000 0.215 194 G C 1.209 176.132 174.900 0.038 0.000 1.128 194 G CA 1.622 46.769 45.100 0.078 0.000 0.774 194 G HN 1.114 nan 8.290 nan 0.000 0.543 195 H N -0.011 118.917 119.070 -0.237 0.000 2.460 195 H HA -0.113 4.443 4.556 0.000 0.000 0.297 195 H C 2.529 177.858 175.328 0.003 0.000 1.103 195 H CA 1.133 57.096 56.048 -0.143 0.000 1.292 195 H CB 0.354 30.095 29.762 -0.035 0.000 1.376 195 H HN 0.316 nan 8.280 nan 0.000 0.531 196 V N -2.575 117.337 119.914 -0.005 0.000 3.306 196 V HA -0.106 4.014 4.120 0.000 0.000 0.264 196 V C 1.571 177.603 176.094 -0.104 0.000 1.149 196 V CA 0.823 63.045 62.300 -0.130 0.000 1.143 196 V CB -1.054 30.594 31.823 -0.291 0.000 0.767 196 V HN 0.365 nan 8.190 nan 0.000 0.476 197 Y N 0.880 121.175 120.300 -0.008 0.000 2.439 197 Y HA -0.110 4.440 4.550 0.000 0.000 0.292 197 Y C 3.040 178.925 175.900 -0.024 0.000 1.130 197 Y CA 1.423 59.433 58.100 -0.150 0.000 1.254 197 Y CB 0.062 38.209 38.460 -0.521 0.000 1.000 197 Y HN 0.369 nan 8.280 nan 0.000 0.554 198 S N 0.256 116.211 115.700 0.426 0.000 2.345 198 S HA -0.085 4.385 4.470 0.000 0.000 0.220 198 S C -0.667 174.088 174.600 0.258 0.000 1.031 198 S CA 1.144 59.611 58.200 0.444 0.000 0.996 198 S CB -1.045 62.460 63.200 0.509 0.000 0.882 198 S HN 0.170 nan 8.310 nan 0.000 0.445 199 P HA 0.030 nan 4.420 nan 0.000 0.219 199 P C 1.206 178.564 177.300 0.096 0.000 1.146 199 P CA 1.349 64.526 63.100 0.129 0.000 0.808 199 P CB -0.174 31.563 31.700 0.062 0.000 0.779 200 A N -0.980 121.884 122.820 0.074 0.000 2.015 200 A HA -0.096 4.224 4.320 0.000 0.000 0.219 200 A C 1.994 179.620 177.584 0.070 0.000 1.163 200 A CA 1.194 53.263 52.037 0.054 0.000 0.646 200 A CB -1.383 17.650 19.000 0.055 0.000 0.806 200 A HN 0.168 nan 8.150 nan 0.000 0.448 201 L N 0.136 121.413 121.223 0.089 0.000 2.446 201 L HA 0.034 4.374 4.340 0.000 0.000 0.219 201 L C 1.634 178.550 176.870 0.076 0.000 1.116 201 L CA 0.560 55.443 54.840 0.072 0.000 0.844 201 L CB -0.508 41.604 42.059 0.088 0.000 0.970 201 L HN 0.493 nan 8.230 nan 0.000 0.457 202 T N -3.830 110.782 114.554 0.098 0.000 2.698 202 T HA 0.027 4.377 4.350 0.000 0.000 0.295 202 T C 0.794 175.498 174.700 0.008 0.000 1.007 202 T CA -0.484 61.667 62.100 0.087 0.000 0.980 202 T CB 0.862 69.806 68.868 0.127 0.000 1.036 202 T HN -0.003 nan 8.240 nan 0.000 0.526 203 D N -0.346 120.013 120.400 -0.069 0.000 2.162 203 D HA 0.123 4.763 4.640 0.000 0.000 0.205 203 D C 0.015 175.847 176.300 -0.779 0.000 0.964 203 D CA 1.142 54.903 54.000 -0.398 0.000 0.847 203 D CB 0.020 40.562 40.800 -0.429 0.000 0.988 203 D HN 0.511 nan 8.370 nan 0.000 0.480 204 F N 0.109 120.036 119.950 -0.039 0.000 2.556 204 F HA 0.376 4.903 4.527 0.000 0.000 0.314 204 F C -0.368 175.499 175.800 0.112 0.000 1.106 204 F CA -1.115 56.769 58.000 -0.194 0.000 0.911 204 F CB 2.384 41.312 39.000 -0.121 0.000 1.190 204 F HN -0.433 nan 8.300 nan 0.000 0.448 205 V N 4.618 124.883 119.914 0.585 0.000 2.378 205 V HA 0.452 4.572 4.120 0.000 0.000 0.288 205 V C -0.582 175.695 176.094 0.305 0.000 1.016 205 V CA -0.543 61.975 62.300 0.363 0.000 0.840 205 V CB 1.437 33.396 31.823 0.227 0.000 0.994 205 V HN 0.464 nan 8.190 nan 0.000 0.431 206 I N 6.041 126.734 120.570 0.205 0.000 2.378 206 I HA 0.538 4.708 4.170 0.000 0.000 0.291 206 I C 0.089 176.239 176.117 0.055 0.000 0.992 206 I CA -0.021 61.370 61.300 0.151 0.000 1.154 206 I CB 1.595 39.719 38.000 0.207 0.000 1.315 206 I HN 0.487 nan 8.210 nan 0.000 0.448 207 M N 5.204 124.792 119.600 -0.020 0.000 2.598 207 M HA 0.618 5.098 4.480 0.000 0.000 0.317 207 M C -0.949 175.280 176.300 -0.118 0.000 1.179 207 M CA -1.074 54.190 55.300 -0.060 0.000 0.936 207 M CB 2.411 34.977 32.600 -0.057 0.000 1.713 207 M HN 0.118 nan 8.290 nan 0.000 0.460 208 V N 0.648 120.503 119.914 -0.098 0.000 2.427 208 V HA 0.187 4.307 4.120 0.000 0.000 0.286 208 V C -0.219 175.816 176.094 -0.097 0.000 1.034 208 V CA -0.782 61.447 62.300 -0.119 0.000 0.893 208 V CB 1.378 33.140 31.823 -0.101 0.000 0.982 208 V HN 0.756 nan 8.190 nan 0.000 0.452 209 D N 5.199 125.522 120.400 -0.127 0.000 2.352 209 D HA 0.150 4.790 4.640 0.000 0.000 0.245 209 D C 0.620 176.922 176.300 0.004 0.000 1.224 209 D CA 0.301 54.244 54.000 -0.096 0.000 0.879 209 D CB 0.865 41.549 40.800 -0.193 0.000 1.057 209 D HN 0.681 nan 8.370 nan 0.000 0.491 210 Q N 1.456 121.286 119.800 0.051 0.000 5.729 210 Q HA -0.163 4.177 4.340 0.000 0.000 0.277 210 Q C 1.306 177.324 176.000 0.030 0.000 0.982 210 Q CA 1.708 57.544 55.803 0.056 0.000 0.819 210 Q CB -1.742 27.027 28.738 0.052 0.000 0.574 210 Q HN 0.695 nan 8.270 nan 0.000 1.031 211 T N -1.415 113.145 114.554 0.010 0.000 3.065 211 T HA 0.232 4.582 4.350 0.000 0.000 0.252 211 T C 0.849 175.556 174.700 0.012 0.000 1.099 211 T CA 0.802 62.907 62.100 0.007 0.000 1.063 211 T CB 0.196 69.058 68.868 -0.011 0.000 0.948 211 T HN 0.379 nan 8.240 nan 0.000 0.506 212 S N 0.120 115.829 115.700 0.015 0.000 2.540 212 S HA 0.780 5.250 4.470 0.000 0.000 0.275 212 S C -1.573 173.051 174.600 0.041 0.000 1.123 212 S CA -0.932 57.275 58.200 0.011 0.000 0.907 212 S CB 2.708 65.898 63.200 -0.016 0.000 1.081 212 S HN 0.178 nan 8.310 nan 0.000 0.476 213 Q N 0.975 120.794 119.800 0.032 0.000 2.605 213 Q HA 0.742 5.082 4.340 0.000 0.000 0.296 213 Q C -1.147 174.822 176.000 -0.051 0.000 1.056 213 Q CA -0.630 55.225 55.803 0.088 0.000 0.778 213 Q CB 2.113 30.987 28.738 0.227 0.000 1.497 213 Q HN 0.824 nan 8.270 nan 0.000 0.443 214 M N 1.836 121.451 119.600 0.025 0.000 2.325 214 M HA 0.622 5.102 4.480 0.000 0.000 0.285 214 M C -1.900 174.429 176.300 0.049 0.000 1.119 214 M CA -0.502 54.688 55.300 -0.183 0.000 0.959 214 M CB 1.899 34.330 32.600 -0.281 0.000 1.737 214 M HN 0.702 nan 8.290 nan 0.000 0.486 215 F N 0.860 120.812 119.950 0.003 0.000 2.704 215 F HA 0.475 5.002 4.527 0.000 0.000 0.312 215 F C -0.645 175.124 175.800 -0.051 0.000 1.108 215 F CA -1.146 56.856 58.000 0.004 0.000 1.005 215 F CB 0.114 39.134 39.000 0.033 0.000 1.277 215 F HN 0.354 nan 8.300 nan 0.000 0.445 216 I N 0.613 121.277 120.570 0.157 0.000 2.141 216 I HA -0.011 4.159 4.170 0.000 0.000 0.236 216 I C 1.007 177.242 176.117 0.196 0.000 1.071 216 I CA 1.247 62.586 61.300 0.064 0.000 1.345 216 I CB -1.020 36.982 38.000 0.003 0.000 1.066 216 I HN 0.664 nan 8.210 nan 0.000 0.406 217 T N 1.676 116.346 114.554 0.192 0.000 2.829 217 T HA 0.564 4.914 4.350 0.000 0.000 0.282 217 T C 0.366 175.113 174.700 0.077 0.000 0.990 217 T CA -0.527 61.656 62.100 0.138 0.000 1.028 217 T CB 1.760 70.661 68.868 0.055 0.000 0.951 217 T HN 0.369 nan 8.240 nan 0.000 0.460 218 G N 2.362 111.182 108.800 0.033 0.000 2.539 218 G HA2 0.354 4.314 3.960 0.000 0.000 0.258 218 G HA3 0.354 4.314 3.960 0.000 0.000 0.258 218 G C -1.669 173.070 174.900 -0.270 0.000 1.202 218 G CA -1.429 43.536 45.100 -0.225 0.000 0.851 218 G HN 0.399 nan 8.290 nan 0.000 0.556 219 P HA -0.090 nan 4.420 nan 0.000 0.216 219 P C 0.950 178.173 177.300 -0.129 0.000 1.150 219 P CA 1.218 64.176 63.100 -0.237 0.000 0.837 219 P CB 0.257 31.813 31.700 -0.240 0.000 0.786 220 D N -1.000 119.341 120.400 -0.098 0.000 2.097 220 D HA -0.127 4.513 4.640 0.000 0.000 0.195 220 D C 1.952 178.226 176.300 -0.042 0.000 0.989 220 D CA 1.082 55.050 54.000 -0.053 0.000 0.827 220 D CB -1.092 39.691 40.800 -0.028 0.000 0.966 220 D HN -0.012 nan 8.370 nan 0.000 0.456 221 V N 1.022 120.913 119.914 -0.038 0.000 2.295 221 V HA -0.209 3.911 4.120 0.000 0.000 0.246 221 V C 2.483 178.559 176.094 -0.031 0.000 1.049 221 V CA 1.159 63.445 62.300 -0.023 0.000 1.024 221 V CB -0.561 31.258 31.823 -0.007 0.000 0.648 221 V HN 0.210 nan 8.190 nan 0.000 0.447 222 I N -0.275 120.265 120.570 -0.050 0.000 2.151 222 I HA -0.282 3.888 4.170 0.000 0.000 0.243 222 I C 2.744 178.836 176.117 -0.042 0.000 1.080 222 I CA 1.726 62.996 61.300 -0.049 0.000 1.339 222 I CB -0.549 37.406 38.000 -0.074 0.000 1.039 222 I HN 0.275 nan 8.210 nan 0.000 0.409 223 K N 0.993 121.365 120.400 -0.048 0.000 1.991 223 K HA -0.206 4.114 4.320 0.000 0.000 0.212 223 K C 1.967 178.550 176.600 -0.027 0.000 1.049 223 K CA 2.323 58.587 56.287 -0.039 0.000 0.932 223 K CB -0.507 31.968 32.500 -0.041 0.000 0.717 223 K HN 0.442 nan 8.250 nan 0.000 0.441 224 T N -1.515 113.024 114.554 -0.024 0.000 3.308 224 T HA 0.069 4.419 4.350 0.000 0.000 0.255 224 T C 1.431 176.123 174.700 -0.014 0.000 1.162 224 T CA 0.362 62.452 62.100 -0.017 0.000 1.031 224 T CB 0.189 69.049 68.868 -0.014 0.000 0.973 224 T HN -0.016 nan 8.240 nan 0.000 0.544 225 V N 0.589 120.494 119.914 -0.015 0.000 3.165 225 V HA 0.132 4.252 4.120 0.000 0.000 0.231 225 V C 2.575 178.662 176.094 -0.012 0.000 1.365 225 V CA 0.904 63.197 62.300 -0.011 0.000 1.286 225 V CB 0.573 32.390 31.823 -0.009 0.000 1.081 225 V HN 0.690 nan 8.190 nan 0.000 0.477 226 T N -3.362 111.183 114.554 -0.016 0.000 2.969 226 T HA 0.390 4.740 4.350 0.000 0.000 0.250 226 T C 1.605 176.295 174.700 -0.017 0.000 1.021 226 T CA 1.391 63.482 62.100 -0.016 0.000 1.003 226 T CB 1.153 70.011 68.868 -0.017 0.000 1.040 226 T HN 1.037 nan 8.240 nan 0.000 0.492 227 G N 1.445 110.233 108.800 -0.020 0.000 2.258 227 G HA2 -0.239 3.721 3.960 0.000 0.000 0.233 227 G HA3 -0.239 3.721 3.960 0.000 0.000 0.233 227 G C -0.072 174.813 174.900 -0.025 0.000 1.006 227 G CA 0.032 45.120 45.100 -0.021 0.000 0.620 227 G HN 0.674 nan 8.290 nan 0.000 0.511 228 E N 1.116 121.300 120.200 -0.028 0.000 2.459 228 E HA 0.364 4.714 4.350 0.000 0.000 0.264 228 E C -0.007 176.568 176.600 -0.040 0.000 1.055 228 E CA 0.748 57.128 56.400 -0.033 0.000 0.957 228 E CB 0.278 29.957 29.700 -0.035 0.000 0.952 228 E HN 0.575 nan 8.360 nan 0.000 0.448 229 E N 1.233 121.408 120.200 -0.042 0.000 2.235 229 E HA 0.310 4.660 4.350 0.000 0.000 0.252 229 E C -1.137 175.431 176.600 -0.055 0.000 0.886 229 E CA -0.468 55.904 56.400 -0.047 0.000 0.767 229 E CB 1.338 31.016 29.700 -0.038 0.000 1.205 229 E HN 0.280 nan 8.360 nan 0.000 0.421 230 V N -0.389 119.483 119.914 -0.071 0.000 3.078 230 V HA 0.719 4.839 4.120 0.000 0.000 0.311 230 V C 0.110 176.147 176.094 -0.096 0.000 1.138 230 V CA -0.949 61.303 62.300 -0.081 0.000 1.007 230 V CB 1.701 33.469 31.823 -0.092 0.000 1.045 230 V HN 0.608 nan 8.190 nan 0.000 0.432 231 T N -0.149 114.353 114.554 -0.087 0.000 2.927 231 T HA 0.480 4.830 4.350 0.000 0.000 0.281 231 T C 1.065 175.705 174.700 -0.100 0.000 0.998 231 T CA -0.595 61.456 62.100 -0.082 0.000 1.019 231 T CB 1.402 70.237 68.868 -0.055 0.000 1.061 231 T HN 0.664 nan 8.240 nan 0.000 0.518 232 M N 0.055 119.606 119.600 -0.081 0.000 2.144 232 M HA -0.125 4.355 4.480 0.000 0.000 0.260 232 M C 2.339 178.658 176.300 0.031 0.000 1.067 232 M CA 1.943 57.218 55.300 -0.042 0.000 1.095 232 M CB -0.528 32.127 32.600 0.091 0.000 1.365 232 M HN 0.854 nan 8.290 nan 0.000 0.406 233 E N 0.923 121.129 120.200 0.011 0.000 2.047 233 E HA -0.179 4.171 4.350 0.000 0.000 0.191 233 E C 1.596 178.180 176.600 -0.027 0.000 0.987 233 E CA 1.702 58.106 56.400 0.008 0.000 0.799 233 E CB -0.057 29.630 29.700 -0.022 0.000 0.752 233 E HN 0.517 nan 8.360 nan 0.000 0.449 234 E N -0.218 119.948 120.200 -0.058 0.000 2.106 234 E HA -0.163 4.187 4.350 0.000 0.000 0.192 234 E C 2.086 178.638 176.600 -0.081 0.000 0.984 234 E CA 0.879 57.235 56.400 -0.074 0.000 0.806 234 E CB -0.167 29.489 29.700 -0.074 0.000 0.750 234 E HN 0.194 nan 8.360 nan 0.000 0.458 235 L N -0.086 121.086 121.223 -0.084 0.000 2.005 235 L HA -0.017 4.323 4.340 0.000 0.000 0.207 235 L C 1.526 178.358 176.870 -0.063 0.000 1.072 235 L CA 2.137 56.919 54.840 -0.096 0.000 0.744 235 L CB -0.132 41.815 42.059 -0.188 0.000 0.895 235 L HN 0.127 nan 8.230 nan 0.000 0.433 236 G N -1.309 107.516 108.800 0.041 0.000 5.077 236 G HA2 0.452 4.412 3.960 0.000 0.000 0.230 236 G HA3 0.452 4.412 3.960 0.000 0.000 0.230 236 G C 0.197 175.193 174.900 0.160 0.000 0.924 236 G CA 0.102 45.240 45.100 0.064 0.000 0.770 236 G HN 0.594 nan 8.290 nan 0.000 0.512 237 G N -0.651 108.184 108.800 0.057 0.000 2.557 237 G HA2 0.536 4.496 3.960 0.000 0.000 0.292 237 G HA3 0.536 4.496 3.960 0.000 0.000 0.292 237 G C 1.345 176.311 174.900 0.110 0.000 1.237 237 G CA 0.351 45.517 45.100 0.111 0.000 0.978 237 G HN 0.575 nan 8.290 nan 0.000 0.498 238 A N -0.788 122.090 122.820 0.096 0.000 1.873 238 A HA -0.171 4.149 4.320 0.000 0.000 0.218 238 A C 2.021 179.584 177.584 -0.034 0.000 1.193 238 A CA 2.134 54.168 52.037 -0.004 0.000 0.629 238 A CB -1.127 17.799 19.000 -0.123 0.000 0.826 238 A HN 0.781 nan 8.150 nan 0.000 0.447 239 H N -0.886 118.147 119.070 -0.061 0.000 2.319 239 H HA -0.121 4.435 4.556 0.000 0.000 0.297 239 H C 2.394 177.683 175.328 -0.065 0.000 1.097 239 H CA 1.857 57.868 56.048 -0.062 0.000 1.285 239 H CB -0.596 29.132 29.762 -0.056 0.000 1.368 239 H HN 0.492 nan 8.280 nan 0.000 0.495 240 T N 0.841 115.420 114.554 0.042 0.000 2.643 240 T HA -0.146 4.204 4.350 0.000 0.000 0.264 240 T C 1.716 176.327 174.700 -0.148 0.000 1.045 240 T CA 1.168 63.209 62.100 -0.099 0.000 1.155 240 T CB -0.364 68.361 68.868 -0.239 0.000 0.863 240 T HN 0.506 nan 8.240 nan 0.000 0.420 241 H N -0.105 118.951 119.070 -0.022 0.000 2.561 241 H HA 0.113 4.669 4.556 0.000 0.000 0.278 241 H C 1.928 177.166 175.328 -0.149 0.000 1.014 241 H CA 0.830 56.829 56.048 -0.082 0.000 1.211 241 H CB -0.092 29.623 29.762 -0.079 0.000 1.365 241 H HN 0.273 nan 8.280 nan 0.000 0.594 242 M N -0.205 119.379 119.600 -0.028 0.000 2.556 242 M HA 0.220 4.700 4.480 0.000 0.000 0.259 242 M C 2.137 178.442 176.300 0.009 0.000 1.175 242 M CA 1.500 56.755 55.300 -0.075 0.000 1.202 242 M CB -0.082 32.464 32.600 -0.091 0.000 1.298 242 M HN 0.026 nan 8.290 nan 0.000 0.492 243 A N -0.622 122.250 122.820 0.087 0.000 2.063 243 A HA 0.138 4.458 4.320 0.000 0.000 0.211 243 A C 2.000 179.751 177.584 0.279 0.000 1.177 243 A CA 0.719 52.889 52.037 0.221 0.000 0.759 243 A CB -0.197 18.863 19.000 0.099 0.000 0.857 243 A HN 0.504 nan 8.150 nan 0.000 0.468 244 K N 0.090 120.575 120.400 0.142 0.000 2.063 244 K HA -0.025 4.295 4.320 0.000 0.000 0.204 244 K C 2.234 178.927 176.600 0.155 0.000 1.039 244 K CA 1.372 57.736 56.287 0.129 0.000 0.957 244 K CB -0.112 32.403 32.500 0.025 0.000 0.764 244 K HN 0.505 nan 8.250 nan 0.000 0.447 245 S N -0.296 115.426 115.700 0.035 0.000 2.501 245 S HA 0.085 4.555 4.470 0.000 0.000 0.220 245 S C 1.360 175.843 174.600 -0.194 0.000 0.997 245 S CA 0.421 58.629 58.200 0.013 0.000 0.919 245 S CB 0.247 63.507 63.200 0.100 0.000 0.778 245 S HN 0.442 nan 8.310 nan 0.000 0.523 246 G N 0.741 109.182 108.800 -0.600 0.000 2.273 246 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 246 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 246 G C 0.486 175.001 174.900 -0.642 0.000 1.047 246 G CA 0.742 44.992 45.100 -1.416 0.000 0.869 246 G HN 0.546 nan 8.290 nan 0.000 0.502 247 T N -0.599 113.742 114.554 -0.355 0.000 3.039 247 T HA 0.509 4.859 4.350 0.000 0.000 0.250 247 T C 1.566 176.070 174.700 -0.326 0.000 1.052 247 T CA 1.167 63.110 62.100 -0.262 0.000 1.125 247 T CB 0.293 69.072 68.868 -0.149 0.000 0.908 247 T HN 1.278 nan 8.240 nan 0.000 0.473 248 A N 0.700 123.362 122.820 -0.263 0.000 2.304 248 A HA 0.528 4.848 4.320 0.000 0.000 0.301 248 A C 0.087 177.507 177.584 -0.274 0.000 1.132 248 A CA -0.351 51.575 52.037 -0.184 0.000 0.819 248 A CB 0.332 19.285 19.000 -0.079 0.000 1.094 248 A HN 0.475 nan 8.150 nan 0.000 0.492 249 H N -0.767 118.342 119.070 0.065 0.000 2.654 249 H HA 0.272 4.828 4.556 0.000 0.000 0.264 249 H C -0.947 174.425 175.328 0.074 0.000 0.954 249 H CA 0.949 57.071 56.048 0.124 0.000 1.199 249 H CB 0.421 30.366 29.762 0.305 0.000 1.446 249 H HN 0.629 nan 8.280 nan 0.000 0.516 250 Y N 0.141 120.374 120.300 -0.110 0.000 2.521 250 Y HA 0.547 5.097 4.550 0.000 0.000 0.332 250 Y C -1.748 173.992 175.900 -0.267 0.000 1.121 250 Y CA -1.723 56.164 58.100 -0.355 0.000 1.037 250 Y CB 1.290 39.170 38.460 -0.967 0.000 1.330 250 Y HN -0.074 nan 8.280 nan 0.000 0.452 251 A N 4.568 126.784 122.820 -1.007 0.000 2.536 251 A HA 0.811 5.131 4.320 0.000 0.000 0.329 251 A C -0.412 176.576 177.584 -0.993 0.000 1.321 251 A CA -0.028 51.566 52.037 -0.739 0.000 0.804 251 A CB -0.444 18.251 19.000 -0.508 0.000 1.126 251 A HN 1.165 nan 8.150 nan 0.000 0.480 252 A N 1.445 123.786 122.820 -0.799 0.000 2.406 252 A HA 0.491 4.811 4.320 0.000 0.000 0.243 252 A C 1.608 179.039 177.584 -0.256 0.000 1.082 252 A CA 0.356 52.140 52.037 -0.421 0.000 0.786 252 A CB 0.136 19.114 19.000 -0.037 0.000 1.029 252 A HN 1.711 nan 8.150 nan 0.000 0.495 253 S N 1.541 117.156 115.700 -0.143 0.000 2.345 253 S HA 0.282 4.752 4.470 0.000 0.000 0.219 253 S C 1.008 175.557 174.600 -0.086 0.000 1.031 253 S CA 0.852 58.991 58.200 -0.101 0.000 0.984 253 S CB -0.580 62.589 63.200 -0.051 0.000 0.874 253 S HN 1.545 nan 8.310 nan 0.000 0.451 254 G N -0.390 108.359 108.800 -0.084 0.000 3.042 254 G HA2 0.541 4.501 3.960 0.000 0.000 0.278 254 G HA3 0.541 4.501 3.960 0.000 0.000 0.278 254 G C -0.087 174.703 174.900 -0.183 0.000 1.371 254 G CA -0.508 44.532 45.100 -0.100 0.000 1.009 254 G HN 0.203 nan 8.290 nan 0.000 0.523 255 E N -0.674 119.387 120.200 -0.232 0.000 2.047 255 E HA -0.178 4.172 4.350 0.000 0.000 0.191 255 E C 2.307 178.402 176.600 -0.842 0.000 0.987 255 E CA 1.167 57.263 56.400 -0.507 0.000 0.799 255 E CB 0.030 29.523 29.700 -0.344 0.000 0.752 255 E HN 0.432 nan 8.360 nan 0.000 0.449 256 Q N 1.233 120.811 119.800 -0.370 0.000 2.096 256 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 256 Q C 1.738 177.676 176.000 -0.104 0.000 0.982 256 Q CA 1.934 57.663 55.803 -0.123 0.000 0.850 256 Q CB -0.298 28.467 28.738 0.045 0.000 0.901 256 Q HN 0.179 nan 8.270 nan 0.000 0.422 257 D N -0.885 119.459 120.400 -0.093 0.000 2.123 257 D HA -0.157 4.483 4.640 0.000 0.000 0.196 257 D C 1.609 177.941 176.300 0.053 0.000 0.992 257 D CA 1.586 55.596 54.000 0.016 0.000 0.833 257 D CB -0.334 40.487 40.800 0.034 0.000 0.954 257 D HN 0.310 nan 8.370 nan 0.000 0.455 258 A N -0.400 122.366 122.820 -0.090 0.000 1.883 258 A HA -0.133 4.187 4.320 0.000 0.000 0.217 258 A C 2.105 179.734 177.584 0.074 0.000 1.186 258 A CA 1.429 53.456 52.037 -0.017 0.000 0.624 258 A CB -1.130 17.741 19.000 -0.215 0.000 0.822 258 A HN 0.304 nan 8.150 nan 0.000 0.444 259 F N 0.956 120.957 119.950 0.084 0.000 2.171 259 F HA -0.131 4.396 4.527 0.000 0.000 0.300 259 F C 2.037 177.859 175.800 0.038 0.000 1.090 259 F CA 0.913 58.940 58.000 0.044 0.000 1.293 259 F CB -0.957 38.054 39.000 0.018 0.000 1.013 259 F HN 0.247 nan 8.300 nan 0.000 0.486 260 D N -1.270 119.255 120.400 0.209 0.000 2.218 260 D HA -0.220 4.420 4.640 0.000 0.000 0.204 260 D C 2.077 178.411 176.300 0.057 0.000 0.976 260 D CA 1.066 55.135 54.000 0.115 0.000 0.853 260 D CB -0.512 40.344 40.800 0.093 0.000 0.939 260 D HN 0.330 nan 8.370 nan 0.000 0.481 261 Y N 1.561 121.817 120.300 -0.073 0.000 2.184 261 Y HA -0.175 4.375 4.550 0.000 0.000 0.290 261 Y C 2.291 178.110 175.900 -0.135 0.000 1.129 261 Y CA 0.895 58.860 58.100 -0.225 0.000 1.144 261 Y CB -0.270 37.905 38.460 -0.475 0.000 0.995 261 Y HN -0.248 nan 8.280 nan 0.000 0.513 262 V N 1.179 121.131 119.914 0.064 0.000 2.255 262 V HA -0.357 3.763 4.120 0.000 0.000 0.247 262 V C 2.351 178.394 176.094 -0.085 0.000 1.051 262 V CA 2.428 64.730 62.300 0.005 0.000 1.018 262 V CB -0.651 31.240 31.823 0.113 0.000 0.641 262 V HN 0.369 nan 8.190 nan 0.000 0.445 263 R N -0.228 120.249 120.500 -0.039 0.000 2.120 263 R HA -0.203 4.137 4.340 0.000 0.000 0.234 263 R C 2.267 178.502 176.300 -0.108 0.000 1.123 263 R CA 1.578 57.643 56.100 -0.058 0.000 0.975 263 R CB -0.249 30.041 30.300 -0.018 0.000 0.866 263 R HN 0.555 nan 8.270 nan 0.000 0.446 264 E N 1.201 121.311 120.200 -0.151 0.000 2.046 264 E HA -0.138 4.212 4.350 0.000 0.000 0.190 264 E C 1.794 178.295 176.600 -0.166 0.000 0.982 264 E CA 0.611 56.914 56.400 -0.162 0.000 0.800 264 E CB -0.146 29.422 29.700 -0.220 0.000 0.756 264 E HN 0.106 nan 8.360 nan 0.000 0.449 265 L N 0.095 121.091 121.223 -0.378 0.000 2.083 265 L HA -0.075 4.264 4.340 0.000 0.000 0.209 265 L C 1.932 178.627 176.870 -0.292 0.000 1.083 265 L CA 1.433 56.017 54.840 -0.426 0.000 0.752 265 L CB -0.548 41.138 42.059 -0.623 0.000 0.899 265 L HN 0.259 nan 8.230 nan 0.000 0.433 266 L N -0.511 120.575 121.223 -0.228 0.000 2.291 266 L HA -0.081 4.259 4.340 0.000 0.000 0.214 266 L C 2.706 179.458 176.870 -0.196 0.000 1.120 266 L CA 1.685 56.408 54.840 -0.196 0.000 0.799 266 L CB -0.835 41.142 42.059 -0.136 0.000 0.925 266 L HN 0.611 nan 8.230 nan 0.000 0.446 267 S N -2.328 113.249 115.700 -0.205 0.000 2.481 267 S HA -0.156 4.314 4.470 0.000 0.000 0.231 267 S C 1.859 176.193 174.600 -0.443 0.000 0.996 267 S CA 0.706 58.732 58.200 -0.291 0.000 0.942 267 S CB -0.565 62.444 63.200 -0.318 0.000 0.768 267 S HN 0.475 nan 8.310 nan 0.000 0.520 268 Y N 1.498 121.576 120.300 -0.370 0.000 2.389 268 Y HA 0.441 4.991 4.550 0.000 0.000 0.292 268 Y C 1.112 176.762 175.900 -0.417 0.000 1.117 268 Y CA -0.321 57.521 58.100 -0.431 0.000 1.195 268 Y CB -0.133 37.946 38.460 -0.635 0.000 1.076 268 Y HN 0.164 nan 8.280 nan 0.000 0.548 269 L N 2.965 124.015 121.223 -0.287 0.000 2.395 269 L HA 0.245 4.585 4.340 0.000 0.000 0.269 269 L C -2.016 174.722 176.870 -0.220 0.000 1.133 269 L CA -2.133 52.532 54.840 -0.292 0.000 0.812 269 L CB 0.353 42.169 42.059 -0.406 0.000 1.125 269 L HN -0.104 nan 8.230 nan 0.000 0.452 270 P HA 0.217 nan 4.420 nan 0.000 0.293 270 P C -2.356 174.870 177.300 -0.123 0.000 1.304 270 P CA -1.336 61.704 63.100 -0.100 0.000 0.767 270 P CB 0.390 32.080 31.700 -0.017 0.000 1.247 271 P HA -0.031 nan 4.420 nan 0.000 0.224 271 P C -0.145 177.144 177.300 -0.019 0.000 1.157 271 P CA 1.306 64.373 63.100 -0.055 0.000 0.799 271 P CB 0.097 31.780 31.700 -0.028 0.000 0.809 272 N N -1.296 117.430 118.700 0.043 0.000 3.116 272 N HA 0.020 4.760 4.740 0.000 0.000 0.244 272 N C 0.372 176.013 175.510 0.217 0.000 1.485 272 N CA -0.837 52.300 53.050 0.145 0.000 0.884 272 N CB -0.711 37.832 38.487 0.093 0.000 1.415 272 N HN -0.309 nan 8.380 nan 0.000 0.524 273 N N -0.691 118.154 118.700 0.242 0.000 2.609 273 N HA -0.071 4.669 4.740 0.000 0.000 0.190 273 N C -0.197 175.357 175.510 0.073 0.000 1.157 273 N CA 0.747 53.885 53.050 0.146 0.000 0.918 273 N CB -0.216 38.276 38.487 0.009 0.000 0.978 273 N HN 0.465 nan 8.380 nan 0.000 0.448 274 S N -0.815 114.925 115.700 0.066 0.000 2.492 274 S HA 0.081 4.551 4.470 0.000 0.000 0.218 274 S C 0.465 175.084 174.600 0.032 0.000 1.016 274 S CA -0.041 58.181 58.200 0.036 0.000 0.916 274 S CB 0.325 63.542 63.200 0.027 0.000 0.791 274 S HN 0.388 nan 8.310 nan 0.000 0.513 275 T N 2.777 117.356 114.554 0.041 0.000 2.902 275 T HA 0.309 4.659 4.350 0.000 0.000 0.283 275 T C -0.599 174.118 174.700 0.028 0.000 1.009 275 T CA -0.681 61.434 62.100 0.025 0.000 1.051 275 T CB 1.004 69.881 68.868 0.015 0.000 0.999 275 T HN -0.008 nan 8.240 nan 0.000 0.474 276 D N 1.839 122.246 120.400 0.013 0.000 2.382 276 D HA 0.368 5.008 4.640 0.000 0.000 0.245 276 D C 0.280 176.576 176.300 -0.006 0.000 1.120 276 D CA -0.155 53.850 54.000 0.009 0.000 0.890 276 D CB 0.868 41.669 40.800 0.002 0.000 1.201 276 D HN 0.685 nan 8.370 nan 0.000 0.433 277 A N 3.884 126.700 122.820 -0.006 0.000 2.546 277 A HA 0.202 4.522 4.320 0.000 0.000 0.243 277 A C -1.924 175.614 177.584 -0.076 0.000 1.063 277 A CA -0.871 51.141 52.037 -0.041 0.000 0.757 277 A CB -0.310 18.674 19.000 -0.027 0.000 0.991 277 A HN 0.342 nan 8.150 nan 0.000 0.503 278 P HA 0.128 nan 4.420 nan 0.000 0.262 278 P C -0.713 176.446 177.300 -0.235 0.000 1.199 278 P CA 0.390 63.404 63.100 -0.145 0.000 0.763 278 P CB 0.326 31.932 31.700 -0.156 0.000 0.790 279 R N 2.468 122.864 120.500 -0.174 0.000 2.778 279 R HA 0.594 4.934 4.340 0.000 0.000 0.277 279 R C -0.458 175.784 176.300 -0.097 0.000 0.977 279 R CA -0.971 55.004 56.100 -0.208 0.000 0.950 279 R CB 0.643 30.893 30.300 -0.084 0.000 1.165 279 R HN 0.213 nan 8.270 nan 0.000 0.474 280 Y N 0.249 120.525 120.300 -0.039 0.000 2.418 280 Y HA 0.153 4.703 4.550 0.000 0.000 0.327 280 Y C 0.936 176.826 175.900 -0.017 0.000 1.309 280 Y CA -1.189 56.890 58.100 -0.036 0.000 1.423 280 Y CB 0.496 38.930 38.460 -0.043 0.000 1.423 280 Y HN 0.369 nan 8.280 nan 0.000 0.532 281 Q N 1.159 121.065 119.800 0.178 0.000 2.262 281 Q HA 0.173 4.513 4.340 0.000 0.000 0.298 281 Q C -0.483 175.564 176.000 0.078 0.000 1.083 281 Q CA 0.075 55.929 55.803 0.085 0.000 0.962 281 Q CB 0.445 29.207 28.738 0.040 0.000 1.104 281 Q HN 0.661 nan 8.270 nan 0.000 0.376 282 A N 3.004 125.857 122.820 0.056 0.000 2.309 282 A HA 0.560 4.880 4.320 0.000 0.000 0.290 282 A C 0.121 177.725 177.584 0.034 0.000 1.206 282 A CA -0.134 51.931 52.037 0.047 0.000 0.850 282 A CB 0.494 19.517 19.000 0.038 0.000 1.118 282 A HN 0.765 nan 8.150 nan 0.000 0.523 283 A N 2.097 124.937 122.820 0.034 0.000 2.520 283 A HA 0.481 4.801 4.320 0.000 0.000 0.235 283 A C 0.766 178.360 177.584 0.017 0.000 1.065 283 A CA 0.481 52.532 52.037 0.024 0.000 0.764 283 A CB 0.045 19.060 19.000 0.025 0.000 1.002 283 A HN 2.104 nan 8.150 nan 0.000 0.502 284 A N 4.061 126.888 122.820 0.011 0.000 3.047 284 A HA 0.571 4.891 4.320 0.000 0.000 0.337 284 A C -1.022 176.563 177.584 0.002 0.000 1.143 284 A CA -1.026 51.015 52.037 0.006 0.000 0.905 284 A CB -0.628 18.375 19.000 0.005 0.000 1.088 284 A HN 0.838 nan 8.150 nan 0.000 0.488 285 P HA 0.472 nan 4.420 nan 0.000 0.329 285 P C 0.373 177.668 177.300 -0.009 0.000 1.319 285 P CA -0.035 63.062 63.100 -0.004 0.000 0.742 285 P CB 0.331 32.029 31.700 -0.004 0.000 1.564 286 T N -1.857 112.690 114.554 -0.013 0.000 3.717 286 T HA 0.602 4.952 4.350 0.000 0.000 0.326 286 T C 0.505 175.191 174.700 -0.024 0.000 1.248 286 T CA 0.191 62.282 62.100 -0.016 0.000 0.896 286 T CB -0.425 68.433 68.868 -0.016 0.000 2.155 286 T HN 0.894 nan 8.240 nan 0.000 0.537 287 G N 0.439 109.222 108.800 -0.028 0.000 2.387 287 G HA2 0.508 4.468 3.960 0.000 0.000 0.294 287 G HA3 0.508 4.468 3.960 0.000 0.000 0.294 287 G C -3.143 171.735 174.900 -0.038 0.000 1.509 287 G CA -0.889 44.187 45.100 -0.039 0.000 0.806 287 G HN 0.472 nan 8.290 nan 0.000 0.546 288 P HA 0.380 nan 4.420 nan 0.000 0.341 288 P C 1.236 178.480 177.300 -0.094 0.000 1.332 288 P CA -0.472 62.587 63.100 -0.069 0.000 0.769 288 P CB 1.115 32.775 31.700 -0.067 0.000 1.726 289 I N -0.128 120.360 120.570 -0.136 0.000 2.202 289 I HA -0.231 3.939 4.170 0.000 0.000 0.242 289 I C 2.522 178.485 176.117 -0.257 0.000 1.091 289 I CA 1.765 62.952 61.300 -0.188 0.000 1.368 289 I CB -1.147 36.714 38.000 -0.230 0.000 1.058 289 I HN 0.418 nan 8.210 nan 0.000 0.410 290 E N 1.811 121.834 120.200 -0.296 0.000 2.333 290 E HA -0.267 4.083 4.350 0.000 0.000 0.200 290 E C 1.325 177.858 176.600 -0.111 0.000 1.010 290 E CA 1.514 57.770 56.400 -0.239 0.000 0.841 290 E CB -0.397 29.257 29.700 -0.076 0.000 0.757 290 E HN 0.651 nan 8.360 nan 0.000 0.508 291 E N 0.017 120.164 120.200 -0.089 0.000 2.476 291 E HA 0.079 4.429 4.350 0.000 0.000 0.199 291 E C -0.073 176.499 176.600 -0.047 0.000 1.021 291 E CA 0.014 56.383 56.400 -0.051 0.000 0.907 291 E CB 0.335 30.013 29.700 -0.037 0.000 0.974 291 E HN 0.246 nan 8.360 nan 0.000 0.489 292 N N 0.741 119.403 118.700 -0.063 0.000 2.541 292 N HA 0.190 4.930 4.740 0.000 0.000 0.297 292 N C -1.111 174.374 175.510 -0.042 0.000 1.503 292 N CA -0.041 52.983 53.050 -0.043 0.000 0.919 292 N CB 0.672 39.136 38.487 -0.038 0.000 1.305 292 N HN -0.058 nan 8.380 nan 0.000 0.501 293 L N 1.176 122.374 121.223 -0.043 0.000 2.268 293 L HA 0.337 4.677 4.340 0.000 0.000 0.289 293 L C 1.034 177.899 176.870 -0.008 0.000 1.064 293 L CA -0.589 54.235 54.840 -0.027 0.000 0.824 293 L CB 0.338 42.382 42.059 -0.025 0.000 1.202 293 L HN 0.270 nan 8.230 nan 0.000 0.433 294 T N -2.228 112.327 114.554 0.001 0.000 2.726 294 T HA 0.048 4.398 4.350 0.000 0.000 0.294 294 T C 0.905 175.609 174.700 0.006 0.000 1.013 294 T CA -0.646 61.457 62.100 0.006 0.000 0.996 294 T CB 1.033 69.909 68.868 0.013 0.000 1.016 294 T HN 0.467 nan 8.240 nan 0.000 0.529 295 D N -0.261 120.143 120.400 0.007 0.000 2.218 295 D HA -0.085 4.555 4.640 0.000 0.000 0.204 295 D C 1.852 178.156 176.300 0.007 0.000 0.976 295 D CA 1.084 55.087 54.000 0.005 0.000 0.853 295 D CB -0.015 40.788 40.800 0.006 0.000 0.939 295 D HN 0.775 nan 8.370 nan 0.000 0.481 296 E N 0.539 120.747 120.200 0.014 0.000 2.047 296 E HA -0.146 4.204 4.350 0.000 0.000 0.191 296 E C 1.399 178.010 176.600 0.018 0.000 0.987 296 E CA 0.803 57.215 56.400 0.020 0.000 0.799 296 E CB 0.257 29.975 29.700 0.030 0.000 0.752 296 E HN 0.164 nan 8.360 nan 0.000 0.449 297 D N 0.522 120.934 120.400 0.020 0.000 2.182 297 D HA -0.173 4.467 4.640 0.000 0.000 0.201 297 D C 2.069 178.366 176.300 -0.007 0.000 0.986 297 D CA 0.840 54.852 54.000 0.021 0.000 0.847 297 D CB -0.106 40.711 40.800 0.029 0.000 0.942 297 D HN 0.280 nan 8.370 nan 0.000 0.467 298 L N 0.845 122.062 121.223 -0.011 0.000 2.217 298 L HA -0.091 4.249 4.340 0.000 0.000 0.211 298 L C 2.275 179.112 176.870 -0.055 0.000 1.107 298 L CA 0.767 55.588 54.840 -0.031 0.000 0.783 298 L CB -0.369 41.679 42.059 -0.018 0.000 0.919 298 L HN -0.048 nan 8.230 nan 0.000 0.442 299 E N 0.555 120.733 120.200 -0.037 0.000 2.160 299 E HA -0.224 4.126 4.350 0.000 0.000 0.195 299 E C 2.266 178.821 176.600 -0.075 0.000 0.991 299 E CA 1.031 57.407 56.400 -0.039 0.000 0.810 299 E CB -0.201 29.493 29.700 -0.010 0.000 0.742 299 E HN 0.518 nan 8.360 nan 0.000 0.466 300 L N 1.147 122.310 121.223 -0.100 0.000 2.265 300 L HA -0.183 4.157 4.340 0.000 0.000 0.215 300 L C 1.656 178.314 176.870 -0.354 0.000 1.117 300 L CA 0.674 55.398 54.840 -0.194 0.000 0.782 300 L CB -0.335 41.597 42.059 -0.212 0.000 0.914 300 L HN 0.028 nan 8.230 nan 0.000 0.441 301 D N -0.334 119.900 120.400 -0.277 0.000 2.263 301 D HA -0.118 4.522 4.640 0.000 0.000 0.208 301 D C 1.506 177.680 176.300 -0.209 0.000 0.971 301 D CA 1.598 55.430 54.000 -0.280 0.000 0.867 301 D CB 0.010 40.703 40.800 -0.179 0.000 0.929 301 D HN 0.383 nan 8.370 nan 0.000 0.492 302 T N -2.395 112.067 114.554 -0.152 0.000 3.380 302 T HA 0.271 4.621 4.350 0.000 0.000 0.289 302 T C 1.146 175.793 174.700 -0.087 0.000 1.012 302 T CA -0.399 61.638 62.100 -0.104 0.000 0.944 302 T CB -0.327 68.501 68.868 -0.067 0.000 1.172 302 T HN 0.047 nan 8.240 nan 0.000 0.502 303 L N 0.375 121.529 121.223 -0.115 0.000 2.298 303 L HA 0.460 4.800 4.340 0.000 0.000 0.209 303 L C 0.092 176.866 176.870 -0.160 0.000 1.084 303 L CA 0.195 54.977 54.840 -0.096 0.000 0.816 303 L CB 0.217 42.235 42.059 -0.068 0.000 0.967 303 L HN 0.233 nan 8.230 nan 0.000 0.460 304 I N 2.359 122.823 120.570 -0.176 0.000 2.452 304 I HA 0.175 4.345 4.170 0.000 0.000 0.287 304 I C -1.810 174.260 176.117 -0.079 0.000 1.079 304 I CA -1.913 59.265 61.300 -0.204 0.000 1.387 304 I CB -0.132 37.812 38.000 -0.093 0.000 1.404 304 I HN 0.042 nan 8.210 nan 0.000 0.522 305 P HA 0.072 nan 4.420 nan 0.000 0.269 305 P C 0.413 177.729 177.300 0.027 0.000 1.217 305 P CA -0.150 62.966 63.100 0.026 0.000 0.783 305 P CB 0.903 32.651 31.700 0.080 0.000 0.898 306 D N -0.747 119.669 120.400 0.026 0.000 2.097 306 D HA -0.071 4.569 4.640 0.000 0.000 0.197 306 D C 0.608 176.932 176.300 0.039 0.000 0.984 306 D CA 1.262 55.278 54.000 0.026 0.000 0.826 306 D CB -0.394 40.419 40.800 0.020 0.000 0.973 306 D HN 0.421 nan 8.370 nan 0.000 0.460 307 S N 0.590 116.317 115.700 0.046 0.000 2.584 307 S HA 0.254 4.724 4.470 0.000 0.000 0.273 307 S C -1.697 172.945 174.600 0.070 0.000 1.311 307 S CA -1.079 57.153 58.200 0.053 0.000 1.034 307 S CB 2.095 65.323 63.200 0.048 0.000 0.939 307 S HN -0.041 nan 8.310 nan 0.000 0.513 308 P HA -0.018 nan 4.420 nan 0.000 0.229 308 P C 0.240 177.593 177.300 0.088 0.000 1.160 308 P CA 0.714 63.869 63.100 0.091 0.000 0.777 308 P CB -0.015 31.741 31.700 0.093 0.000 0.814 309 N N -0.528 118.214 118.700 0.070 0.000 2.336 309 N HA 0.010 4.750 4.740 0.000 0.000 0.189 309 N C 0.676 176.224 175.510 0.064 0.000 1.113 309 N CA 0.377 53.462 53.050 0.059 0.000 0.858 309 N CB 0.034 38.547 38.487 0.043 0.000 0.970 309 N HN 0.242 nan 8.380 nan 0.000 0.471 310 Q N 1.755 121.605 119.800 0.083 0.000 2.390 310 Q HA 0.341 4.681 4.340 0.000 0.000 0.249 310 Q C -2.332 173.753 176.000 0.141 0.000 0.996 310 Q CA -1.593 54.267 55.803 0.094 0.000 0.899 310 Q CB 1.484 30.275 28.738 0.088 0.000 1.216 310 Q HN 0.112 nan 8.270 nan 0.000 0.465 311 P HA 0.114 nan 4.420 nan 0.000 0.273 311 P C -1.321 176.088 177.300 0.181 0.000 1.250 311 P CA 0.091 63.236 63.100 0.076 0.000 0.793 311 P CB 0.357 32.060 31.700 0.004 0.000 1.011 312 Y N -2.943 117.379 120.300 0.038 0.000 2.552 312 Y HA 0.494 5.044 4.550 0.000 0.000 0.337 312 Y C -1.100 174.827 175.900 0.045 0.000 1.094 312 Y CA -1.568 56.558 58.100 0.043 0.000 1.028 312 Y CB 0.502 38.993 38.460 0.051 0.000 1.321 312 Y HN 0.094 nan 8.280 nan 0.000 0.456 313 D N 3.268 123.758 120.400 0.149 0.000 2.338 313 D HA 0.040 4.680 4.640 0.000 0.000 0.255 313 D C 0.827 177.216 176.300 0.148 0.000 1.237 313 D CA 0.012 54.072 54.000 0.099 0.000 0.883 313 D CB 1.362 42.240 40.800 0.130 0.000 1.087 313 D HN 0.820 nan 8.370 nan 0.000 0.485 314 M N 3.999 123.594 119.600 -0.008 0.000 2.346 314 M HA -0.149 4.331 4.480 0.000 0.000 0.263 314 M C 0.959 177.228 176.300 -0.052 0.000 1.064 314 M CA 1.682 56.971 55.300 -0.018 0.000 1.083 314 M CB -0.427 32.066 32.600 -0.179 0.000 1.399 314 M HN 0.502 nan 8.290 nan 0.000 0.435 315 H N -0.216 118.834 119.070 -0.033 0.000 2.456 315 H HA -0.068 4.488 4.556 0.000 0.000 0.296 315 H C 1.838 177.152 175.328 -0.025 0.000 1.079 315 H CA 1.668 57.673 56.048 -0.071 0.000 1.322 315 H CB 0.001 29.742 29.762 -0.034 0.000 1.388 315 H HN 0.413 nan 8.280 nan 0.000 0.538 316 E N 0.201 120.494 120.200 0.155 0.000 2.153 316 E HA -0.114 4.236 4.350 0.000 0.000 0.194 316 E C 2.376 179.040 176.600 0.107 0.000 0.988 316 E CA 0.787 57.264 56.400 0.129 0.000 0.811 316 E CB -0.256 29.535 29.700 0.151 0.000 0.746 316 E HN 0.342 nan 8.360 nan 0.000 0.466 317 V N 1.536 121.518 119.914 0.113 0.000 2.323 317 V HA -0.191 3.929 4.120 0.000 0.000 0.244 317 V C 2.453 178.569 176.094 0.037 0.000 1.041 317 V CA 1.190 63.560 62.300 0.117 0.000 1.025 317 V CB -0.468 31.430 31.823 0.124 0.000 0.656 317 V HN 0.151 nan 8.190 nan 0.000 0.451 318 I N 0.485 121.012 120.570 -0.072 0.000 2.099 318 I HA -0.277 3.893 4.170 0.000 0.000 0.239 318 I C 2.606 178.669 176.117 -0.090 0.000 1.066 318 I CA 2.102 63.298 61.300 -0.174 0.000 1.324 318 I CB -0.966 36.742 38.000 -0.487 0.000 1.037 318 I HN 0.305 nan 8.210 nan 0.000 0.401 319 T N 0.523 115.048 114.554 -0.049 0.000 2.760 319 T HA -0.216 4.134 4.350 0.000 0.000 0.269 319 T C 1.905 176.636 174.700 0.053 0.000 1.047 319 T CA 1.402 63.518 62.100 0.028 0.000 1.139 319 T CB -0.321 68.585 68.868 0.063 0.000 0.855 319 T HN 0.346 nan 8.240 nan 0.000 0.471 320 R N -0.019 120.514 120.500 0.055 0.000 2.240 320 R HA 0.246 4.586 4.340 0.000 0.000 0.203 320 R C 2.118 178.464 176.300 0.077 0.000 1.011 320 R CA 0.422 56.562 56.100 0.068 0.000 1.007 320 R CB -0.101 30.244 30.300 0.074 0.000 0.911 320 R HN 0.379 nan 8.270 nan 0.000 0.468 321 L N 0.320 121.587 121.223 0.074 0.000 2.253 321 L HA 0.116 4.456 4.340 0.000 0.000 0.205 321 L C 0.938 177.863 176.870 0.092 0.000 1.078 321 L CA 0.296 55.189 54.840 0.088 0.000 0.805 321 L CB -0.016 42.093 42.059 0.084 0.000 0.963 321 L HN 0.050 nan 8.230 nan 0.000 0.459 322 L N 0.264 121.542 121.223 0.091 0.000 2.466 322 L HA 0.043 4.383 4.340 0.000 0.000 0.257 322 L C 0.351 177.295 176.870 0.123 0.000 1.189 322 L CA -0.435 54.481 54.840 0.126 0.000 0.813 322 L CB 0.324 42.481 42.059 0.164 0.000 1.118 322 L HN 0.057 nan 8.230 nan 0.000 0.471 323 D N 1.014 121.497 120.400 0.138 0.000 2.490 323 D HA -0.002 4.638 4.640 0.000 0.000 0.255 323 D C -0.638 175.738 176.300 0.126 0.000 1.248 323 D CA 0.367 54.441 54.000 0.123 0.000 0.887 323 D CB -0.679 40.201 40.800 0.132 0.000 0.978 323 D HN 0.372 nan 8.370 nan 0.000 0.491 324 D N 1.305 121.784 120.400 0.131 0.000 5.070 324 D HA -0.168 4.472 4.640 0.000 0.000 0.239 324 D C -0.152 176.245 176.300 0.161 0.000 1.194 324 D CA 0.965 55.045 54.000 0.132 0.000 1.284 324 D CB -0.268 40.592 40.800 0.099 0.000 0.729 324 D HN 0.241 nan 8.370 nan 0.000 0.365 325 E N 1.124 121.449 120.200 0.208 0.000 4.468 325 E HA 0.125 4.475 4.350 0.000 0.000 0.329 325 E C -2.245 174.561 176.600 0.344 0.000 1.153 325 E CA -0.339 56.205 56.400 0.239 0.000 0.675 325 E CB -0.576 29.254 29.700 0.218 0.000 1.022 325 E HN 0.273 nan 8.360 nan 0.000 0.624 326 F N 5.312 125.342 119.950 0.133 0.000 2.460 326 F HA 0.603 5.130 4.527 0.000 0.000 0.341 326 F C -1.253 174.595 175.800 0.080 0.000 1.130 326 F CA -1.213 56.850 58.000 0.106 0.000 0.962 326 F CB 0.864 39.925 39.000 0.101 0.000 1.171 326 F HN 0.411 nan 8.300 nan 0.000 0.436 327 L N 6.516 127.449 121.223 -0.484 0.000 2.328 327 L HA 0.335 4.675 4.340 0.000 0.000 0.280 327 L C -0.017 176.387 176.870 -0.778 0.000 1.111 327 L CA 0.032 54.592 54.840 -0.467 0.000 0.909 327 L CB 0.135 41.953 42.059 -0.401 0.000 1.277 327 L HN 0.687 nan 8.230 nan 0.000 0.433 328 E N 4.124 123.931 120.200 -0.655 0.000 2.331 328 E HA 0.256 4.606 4.350 0.000 0.000 0.272 328 E C -0.819 175.697 176.600 -0.140 0.000 1.036 328 E CA -0.607 55.470 56.400 -0.538 0.000 0.864 328 E CB 0.796 30.415 29.700 -0.136 0.000 1.035 328 E HN 0.434 nan 8.360 nan 0.000 0.408 329 I N 4.290 124.759 120.570 -0.167 0.000 2.336 329 I HA 0.071 4.241 4.170 0.000 0.000 0.292 329 I C 0.028 176.186 176.117 0.068 0.000 0.991 329 I CA -0.047 61.277 61.300 0.040 0.000 1.227 329 I CB 1.078 39.096 38.000 0.030 0.000 1.366 329 I HN 0.872 nan 8.210 nan 0.000 0.466 330 Q N 3.366 123.247 119.800 0.135 0.000 2.459 330 Q HA -0.217 4.123 4.340 0.000 0.000 0.322 330 Q C 0.956 177.001 176.000 0.075 0.000 1.427 330 Q CA 0.662 56.515 55.803 0.084 0.000 0.861 330 Q CB -1.176 27.619 28.738 0.095 0.000 1.137 330 Q HN 0.866 nan 8.270 nan 0.000 0.394 331 A N -0.299 122.558 122.820 0.062 0.000 2.168 331 A HA 0.134 4.454 4.320 0.000 0.000 0.215 331 A C 1.709 179.304 177.584 0.018 0.000 1.152 331 A CA 1.294 53.366 52.037 0.058 0.000 0.716 331 A CB 0.180 19.229 19.000 0.081 0.000 0.794 331 A HN 0.648 nan 8.150 nan 0.000 0.465 332 G N -2.441 106.366 108.800 0.012 0.000 3.575 332 G HA2 0.391 4.351 3.960 0.000 0.000 0.273 332 G HA3 0.391 4.351 3.960 0.000 0.000 0.273 332 G C -0.373 174.561 174.900 0.057 0.000 1.053 332 G CA -0.090 45.003 45.100 -0.012 0.000 0.803 332 G HN 0.311 nan 8.290 nan 0.000 0.528 333 Y N 0.494 120.742 120.300 -0.086 0.000 2.425 333 Y HA 0.477 5.027 4.550 0.000 0.000 0.344 333 Y C 0.314 176.168 175.900 -0.076 0.000 0.969 333 Y CA -0.951 57.106 58.100 -0.071 0.000 1.052 333 Y CB 2.082 40.514 38.460 -0.047 0.000 1.215 333 Y HN 0.444 nan 8.280 nan 0.000 0.451 334 A N 4.998 127.499 122.820 -0.532 0.000 2.466 334 A HA -0.266 4.054 4.320 0.000 0.000 0.295 334 A C 1.303 178.743 177.584 -0.240 0.000 1.465 334 A CA 1.106 52.906 52.037 -0.396 0.000 0.744 334 A CB -1.494 17.279 19.000 -0.379 0.000 1.098 334 A HN 0.855 nan 8.150 nan 0.000 0.402 335 Q N 0.780 120.350 119.800 -0.383 0.000 2.290 335 Q HA -0.258 4.082 4.340 0.000 0.000 0.211 335 Q C 1.742 177.620 176.000 -0.203 0.000 0.991 335 Q CA 1.789 57.354 55.803 -0.396 0.000 0.893 335 Q CB -0.497 27.736 28.738 -0.841 0.000 0.913 335 Q HN 1.171 nan 8.270 nan 0.000 0.428 336 N N 0.314 118.983 118.700 -0.052 0.000 2.609 336 N HA -0.073 4.667 4.740 0.000 0.000 0.190 336 N C 0.232 175.738 175.510 -0.007 0.000 1.157 336 N CA 0.320 53.408 53.050 0.063 0.000 0.918 336 N CB 0.028 38.613 38.487 0.163 0.000 0.978 336 N HN 0.197 nan 8.380 nan 0.000 0.448 337 I N -0.083 120.463 120.570 -0.041 0.000 2.644 337 I HA 0.308 4.478 4.170 0.000 0.000 0.291 337 I C -1.584 174.495 176.117 -0.064 0.000 1.180 337 I CA -0.999 60.271 61.300 -0.049 0.000 1.040 337 I CB 2.438 40.425 38.000 -0.022 0.000 1.255 337 I HN -0.251 nan 8.210 nan 0.000 0.422 338 V N 7.617 127.475 119.914 -0.093 0.000 2.417 338 V HA 0.744 4.864 4.120 0.000 0.000 0.291 338 V C -0.455 175.572 176.094 -0.112 0.000 1.024 338 V CA -0.531 61.713 62.300 -0.093 0.000 0.861 338 V CB 1.605 33.314 31.823 -0.189 0.000 0.985 338 V HN 0.627 nan 8.190 nan 0.000 0.436 339 V N 2.065 121.875 119.914 -0.173 0.000 2.962 339 V HA 1.158 5.278 4.120 0.000 0.000 0.313 339 V C -0.054 175.698 176.094 -0.569 0.000 1.099 339 V CA -0.046 61.957 62.300 -0.496 0.000 0.971 339 V CB 1.639 32.912 31.823 -0.916 0.000 1.028 339 V HN 1.310 nan 8.190 nan 0.000 0.430 340 G N 1.082 109.395 108.800 -0.811 0.000 2.316 340 G HA2 0.502 4.462 3.960 0.000 0.000 0.296 340 G HA3 0.502 4.462 3.960 0.000 0.000 0.296 340 G C -1.932 172.673 174.900 -0.492 0.000 1.399 340 G CA -0.777 43.836 45.100 -0.813 0.000 0.833 340 G HN 0.777 nan 8.290 nan 0.000 0.565 341 F N 0.107 119.819 119.950 -0.396 0.000 2.432 341 F HA 0.860 5.387 4.527 0.000 0.000 0.329 341 F C 1.025 176.617 175.800 -0.346 0.000 1.076 341 F CA 0.429 58.168 58.000 -0.434 0.000 1.018 341 F CB 2.282 40.622 39.000 -1.101 0.000 1.201 341 F HN 0.881 nan 8.300 nan 0.000 0.489 342 G N 1.168 110.100 108.800 0.221 0.000 2.559 342 G HA2 0.602 4.562 3.960 0.000 0.000 0.291 342 G HA3 0.602 4.562 3.960 0.000 0.000 0.291 342 G C -1.846 173.335 174.900 0.467 0.000 1.424 342 G CA -1.141 44.228 45.100 0.448 0.000 0.786 342 G HN 0.484 nan 8.290 nan 0.000 0.485 343 R N -0.717 120.003 120.500 0.365 0.000 2.711 343 R HA 0.701 5.041 4.340 0.000 0.000 0.284 343 R C -0.980 175.427 176.300 0.179 0.000 0.968 343 R CA -0.825 55.412 56.100 0.228 0.000 0.924 343 R CB 2.400 32.782 30.300 0.136 0.000 1.162 343 R HN 0.371 nan 8.270 nan 0.000 0.465 344 I N 1.731 122.385 120.570 0.140 0.000 2.497 344 I HA 0.086 4.256 4.170 0.000 0.000 0.284 344 I C -0.619 175.555 176.117 0.095 0.000 1.060 344 I CA -0.313 61.058 61.300 0.120 0.000 1.071 344 I CB 1.835 39.908 38.000 0.120 0.000 1.216 344 I HN 0.716 nan 8.210 nan 0.000 0.442 345 D N 5.129 125.583 120.400 0.089 0.000 2.870 345 D HA -0.184 4.456 4.640 0.000 0.000 0.228 345 D C 1.089 177.434 176.300 0.075 0.000 1.147 345 D CA 1.733 55.777 54.000 0.073 0.000 0.757 345 D CB -0.707 40.130 40.800 0.060 0.000 1.091 345 D HN 1.124 nan 8.370 nan 0.000 0.429 346 G N -0.606 108.249 108.800 0.092 0.000 2.184 346 G HA2 -0.382 3.578 3.960 0.000 0.000 0.264 346 G HA3 -0.382 3.578 3.960 0.000 0.000 0.264 346 G C 0.379 175.285 174.900 0.011 0.000 0.975 346 G CA 0.485 45.639 45.100 0.090 0.000 0.642 346 G HN 0.597 nan 8.290 nan 0.000 0.536 347 R N 0.834 121.354 120.500 0.033 0.000 2.294 347 R HA 0.483 4.823 4.340 0.000 0.000 0.319 347 R C -2.658 173.673 176.300 0.053 0.000 0.984 347 R CA -1.926 54.187 56.100 0.022 0.000 0.861 347 R CB 1.355 31.682 30.300 0.046 0.000 1.104 347 R HN 0.085 nan 8.270 nan 0.000 0.451 348 P HA 0.032 nan 4.420 nan 0.000 0.271 348 P C -0.974 176.441 177.300 0.192 0.000 1.216 348 P CA -0.273 62.916 63.100 0.149 0.000 0.776 348 P CB 0.974 32.722 31.700 0.080 0.000 0.881 349 V N 0.006 120.090 119.914 0.282 0.000 3.147 349 V HA 0.910 5.030 4.120 0.000 0.000 0.306 349 V C -0.305 176.005 176.094 0.360 0.000 1.209 349 V CA -1.093 61.366 62.300 0.264 0.000 1.023 349 V CB 1.889 33.837 31.823 0.207 0.000 1.059 349 V HN 0.575 nan 8.190 nan 0.000 0.435 350 G N 2.938 111.927 108.800 0.314 0.000 2.368 350 G HA2 0.656 4.616 3.960 0.000 0.000 0.320 350 G HA3 0.656 4.616 3.960 0.000 0.000 0.320 350 G C -0.733 174.375 174.900 0.346 0.000 1.158 350 G CA -0.599 44.717 45.100 0.359 0.000 0.912 350 G HN 0.602 nan 8.290 nan 0.000 0.456 351 I N 2.210 122.973 120.570 0.322 0.000 2.385 351 I HA 0.371 4.541 4.170 0.000 0.000 0.294 351 I C -0.290 175.884 176.117 0.095 0.000 0.988 351 I CA -0.925 60.489 61.300 0.190 0.000 1.265 351 I CB 1.574 39.680 38.000 0.177 0.000 1.388 351 I HN 0.070 nan 8.210 nan 0.000 0.480 352 V N 5.551 125.501 119.914 0.061 0.000 2.501 352 V HA 0.642 4.762 4.120 0.000 0.000 0.277 352 V C -0.006 176.063 176.094 -0.042 0.000 1.004 352 V CA -0.480 61.827 62.300 0.011 0.000 0.862 352 V CB 1.403 33.289 31.823 0.106 0.000 1.035 352 V HN 0.903 nan 8.190 nan 0.000 0.448 353 A N 3.900 126.663 122.820 -0.094 0.000 2.384 353 A HA 0.822 5.142 4.320 0.000 0.000 0.312 353 A C -0.413 177.094 177.584 -0.127 0.000 1.113 353 A CA -0.840 51.122 52.037 -0.125 0.000 0.779 353 A CB 1.225 20.124 19.000 -0.168 0.000 1.307 353 A HN 0.759 nan 8.150 nan 0.000 0.436 354 N N 0.734 119.355 118.700 -0.131 0.000 2.514 354 N HA 0.406 5.146 4.740 0.000 0.000 0.277 354 N C -0.516 174.902 175.510 -0.153 0.000 1.126 354 N CA -0.229 52.747 53.050 -0.124 0.000 0.978 354 N CB 0.851 39.264 38.487 -0.123 0.000 1.106 354 N HN 0.581 nan 8.380 nan 0.000 0.461 355 Q N 3.112 122.837 119.800 -0.124 0.000 2.465 355 Q HA 0.314 4.654 4.340 0.000 0.000 0.237 355 Q C -2.243 173.675 176.000 -0.137 0.000 1.051 355 Q CA -2.200 53.523 55.803 -0.134 0.000 0.874 355 Q CB 1.302 29.999 28.738 -0.067 0.000 1.207 355 Q HN 0.368 nan 8.270 nan 0.000 0.508 356 P HA -0.135 nan 4.420 nan 0.000 0.221 356 P C 0.576 177.790 177.300 -0.142 0.000 1.145 356 P CA 1.392 64.340 63.100 -0.254 0.000 0.795 356 P CB 0.231 31.600 31.700 -0.551 0.000 0.775 357 T N -5.571 108.915 114.554 -0.113 0.000 3.194 357 T HA -0.032 4.318 4.350 0.000 0.000 0.251 357 T C 0.216 174.939 174.700 0.039 0.000 1.132 357 T CA 0.224 62.306 62.100 -0.031 0.000 1.028 357 T CB -0.900 67.960 68.868 -0.013 0.000 0.976 357 T HN 0.107 nan 8.240 nan 0.000 0.535 358 H N -0.612 118.401 119.070 -0.094 0.000 3.017 358 H HA 0.374 4.930 4.556 0.000 0.000 0.340 358 H C -0.385 174.935 175.328 -0.013 0.000 1.014 358 H CA -1.834 54.129 56.048 -0.143 0.000 1.341 358 H CB 0.359 29.950 29.762 -0.284 0.000 1.739 358 H HN 0.154 nan 8.280 nan 0.000 0.506 359 F N 3.342 122.977 119.950 -0.525 0.000 3.100 359 F HA -0.338 4.189 4.527 0.000 0.000 0.284 359 F C 1.277 176.974 175.800 -0.172 0.000 0.875 359 F CA 0.307 58.099 58.000 -0.345 0.000 1.039 359 F CB -1.394 37.408 39.000 -0.329 0.000 1.111 359 F HN 0.898 nan 8.300 nan 0.000 0.575 360 A N -0.888 121.954 122.820 0.037 0.000 2.798 360 A HA -0.027 4.293 4.320 0.000 0.000 0.282 360 A C 1.633 179.208 177.584 -0.013 0.000 1.464 360 A CA 1.667 53.705 52.037 0.001 0.000 0.844 360 A CB -1.933 17.069 19.000 0.003 0.000 1.006 360 A HN 2.382 nan 8.150 nan 0.000 0.577 361 G N -3.369 105.427 108.800 -0.007 0.000 2.155 361 G HA2 -0.216 3.744 3.960 0.000 0.000 0.257 361 G HA3 -0.216 3.744 3.960 0.000 0.000 0.257 361 G C 0.694 175.581 174.900 -0.022 0.000 0.983 361 G CA 0.670 45.750 45.100 -0.033 0.000 0.676 361 G HN 1.681 nan 8.290 nan 0.000 0.528 362 C N -0.014 119.299 119.300 0.021 0.000 2.700 362 C HA 0.536 4.996 4.460 0.000 0.000 0.397 362 C C 1.292 176.290 174.990 0.013 0.000 1.301 362 C CA -0.271 58.739 59.018 -0.013 0.000 2.219 362 C CB 0.195 27.933 27.740 -0.004 0.000 2.699 362 C HN 0.477 nan 8.230 nan 0.000 0.669 363 L N 3.484 124.676 121.223 -0.052 0.000 2.309 363 L HA 0.465 4.805 4.340 0.000 0.000 0.282 363 L C 0.011 176.999 176.870 0.197 0.000 1.036 363 L CA 0.060 54.922 54.840 0.038 0.000 0.806 363 L CB 1.043 43.052 42.059 -0.083 0.000 1.220 363 L HN 0.797 nan 8.230 nan 0.000 0.429 364 D N 2.463 122.972 120.400 0.182 0.000 2.781 364 D HA 0.286 4.926 4.640 0.000 0.000 0.295 364 D C 1.004 177.380 176.300 0.127 0.000 1.143 364 D CA -0.651 53.442 54.000 0.154 0.000 1.076 364 D CB 1.088 41.962 40.800 0.124 0.000 1.444 364 D HN 0.290 nan 8.370 nan 0.000 0.567 365 I N 0.383 121.004 120.570 0.085 0.000 2.099 365 I HA -0.302 3.868 4.170 0.000 0.000 0.239 365 I C 2.157 178.328 176.117 0.090 0.000 1.066 365 I CA 1.399 62.746 61.300 0.077 0.000 1.324 365 I CB -0.652 37.385 38.000 0.062 0.000 1.037 365 I HN 0.390 nan 8.210 nan 0.000 0.401 366 N N 0.816 119.550 118.700 0.056 0.000 2.036 366 N HA -0.219 4.521 4.740 0.000 0.000 0.195 366 N C 1.991 177.530 175.510 0.048 0.000 1.037 366 N CA 1.319 54.376 53.050 0.012 0.000 0.855 366 N CB -0.270 38.016 38.487 -0.335 0.000 1.033 366 N HN 0.372 nan 8.380 nan 0.000 0.423 367 A N 1.133 123.964 122.820 0.020 0.000 1.865 367 A HA -0.184 4.136 4.320 0.000 0.000 0.217 367 A C 2.424 180.067 177.584 0.100 0.000 1.191 367 A CA 1.890 53.957 52.037 0.051 0.000 0.623 367 A CB -0.865 18.169 19.000 0.056 0.000 0.826 367 A HN 0.244 nan 8.150 nan 0.000 0.444 368 S N -0.249 115.521 115.700 0.117 0.000 2.359 368 S HA -0.238 4.232 4.470 0.000 0.000 0.223 368 S C 1.884 176.565 174.600 0.136 0.000 1.039 368 S CA 1.733 60.011 58.200 0.130 0.000 1.042 368 S CB -0.463 62.821 63.200 0.140 0.000 0.915 368 S HN 0.689 nan 8.310 nan 0.000 0.439 369 E N 1.002 121.287 120.200 0.142 0.000 2.023 369 E HA -0.229 4.121 4.350 0.000 0.000 0.196 369 E C 2.211 178.917 176.600 0.177 0.000 1.003 369 E CA 1.315 57.805 56.400 0.150 0.000 0.809 369 E CB -0.201 29.594 29.700 0.159 0.000 0.755 369 E HN 0.444 nan 8.360 nan 0.000 0.449 370 K N 0.730 121.261 120.400 0.219 0.000 2.032 370 K HA -0.273 4.047 4.320 0.000 0.000 0.218 370 K C 2.128 178.849 176.600 0.203 0.000 1.054 370 K CA 1.808 58.231 56.287 0.227 0.000 0.941 370 K CB -0.255 32.402 32.500 0.262 0.000 0.720 370 K HN 0.120 nan 8.250 nan 0.000 0.449 371 A N 0.787 123.707 122.820 0.166 0.000 1.902 371 A HA -0.081 4.239 4.320 0.000 0.000 0.217 371 A C 2.360 180.090 177.584 0.244 0.000 1.181 371 A CA 1.952 54.100 52.037 0.185 0.000 0.623 371 A CB -0.911 18.165 19.000 0.127 0.000 0.818 371 A HN 0.578 nan 8.150 nan 0.000 0.443 372 A N 0.024 122.961 122.820 0.196 0.000 1.859 372 A HA -0.240 4.080 4.320 0.000 0.000 0.217 372 A C 2.193 179.888 177.584 0.183 0.000 1.198 372 A CA 2.402 54.550 52.037 0.185 0.000 0.629 372 A CB -0.581 18.510 19.000 0.152 0.000 0.830 372 A HN 0.483 nan 8.150 nan 0.000 0.446 373 R N -1.297 119.310 120.500 0.179 0.000 2.103 373 R HA -0.172 4.168 4.340 0.000 0.000 0.242 373 R C 1.819 178.227 176.300 0.181 0.000 1.142 373 R CA 2.034 58.227 56.100 0.155 0.000 0.960 373 R CB -0.917 29.484 30.300 0.168 0.000 0.858 373 R HN 0.507 nan 8.270 nan 0.000 0.439 374 F N -0.009 120.004 119.950 0.105 0.000 2.046 374 F HA -0.228 4.299 4.527 0.000 0.000 0.297 374 F C 2.050 177.908 175.800 0.097 0.000 1.123 374 F CA 1.901 59.962 58.000 0.101 0.000 1.199 374 F CB -0.748 38.294 39.000 0.069 0.000 0.972 374 F HN -0.127 nan 8.300 nan 0.000 0.474 375 V N 0.694 120.708 119.914 0.167 0.000 2.278 375 V HA -0.382 3.738 4.120 0.000 0.000 0.251 375 V C 2.585 178.668 176.094 -0.018 0.000 1.062 375 V CA 2.520 64.866 62.300 0.076 0.000 1.038 375 V CB -0.732 31.202 31.823 0.185 0.000 0.646 375 V HN 0.296 nan 8.190 nan 0.000 0.447 376 R N -0.706 119.806 120.500 0.021 0.000 2.096 376 R HA -0.128 4.212 4.340 0.000 0.000 0.235 376 R C 2.436 178.685 176.300 -0.084 0.000 1.127 376 R CA 1.876 57.968 56.100 -0.014 0.000 0.968 376 R CB -0.543 29.775 30.300 0.031 0.000 0.861 376 R HN 0.554 nan 8.270 nan 0.000 0.440 377 T N -0.063 114.439 114.554 -0.086 0.000 2.708 377 T HA -0.178 4.172 4.350 0.000 0.000 0.266 377 T C 2.005 176.688 174.700 -0.030 0.000 1.037 377 T CA 1.312 63.365 62.100 -0.078 0.000 1.146 377 T CB -0.322 68.517 68.868 -0.048 0.000 0.865 377 T HN 0.357 nan 8.240 nan 0.000 0.435 378 C N 1.322 120.548 119.300 -0.123 0.000 2.432 378 C HA -0.095 4.365 4.460 0.000 0.000 0.277 378 C C 2.660 177.634 174.990 -0.028 0.000 1.249 378 C CA 0.736 59.727 59.018 -0.046 0.000 1.725 378 C CB -1.067 26.566 27.740 -0.178 0.000 2.028 378 C HN 0.654 nan 8.230 nan 0.000 0.477 379 D N -0.505 119.844 120.400 -0.084 0.000 2.182 379 D HA -0.141 4.499 4.640 0.000 0.000 0.201 379 D C 2.006 178.226 176.300 -0.134 0.000 0.986 379 D CA 1.245 55.189 54.000 -0.093 0.000 0.847 379 D CB -0.238 40.501 40.800 -0.101 0.000 0.942 379 D HN 0.465 nan 8.370 nan 0.000 0.467 380 C N -0.715 118.445 119.300 -0.234 0.000 2.425 380 C HA -0.049 4.411 4.460 0.000 0.000 0.277 380 C C 1.602 176.268 174.990 -0.541 0.000 1.280 380 C CA 0.476 59.206 59.018 -0.481 0.000 1.744 380 C CB -1.157 26.092 27.740 -0.819 0.000 1.989 380 C HN 0.331 nan 8.230 nan 0.000 0.491 381 F N 1.057 120.999 119.950 -0.013 0.000 2.850 381 F HA 0.264 4.791 4.527 0.000 0.000 0.306 381 F C 0.598 176.388 175.800 -0.016 0.000 1.162 381 F CA -0.309 57.684 58.000 -0.012 0.000 1.327 381 F CB -0.527 38.470 39.000 -0.005 0.000 0.953 381 F HN 0.160 nan 8.300 nan 0.000 0.507 382 N N 1.411 120.164 118.700 0.088 0.000 2.725 382 N HA -0.183 4.557 4.740 0.000 0.000 0.251 382 N C -0.842 174.708 175.510 0.066 0.000 1.031 382 N CA 0.548 53.631 53.050 0.054 0.000 0.720 382 N CB -1.184 37.332 38.487 0.049 0.000 0.930 382 N HN 0.199 nan 8.380 nan 0.000 0.543 383 I N 0.413 121.033 120.570 0.083 0.000 2.330 383 I HA 0.299 4.469 4.170 0.000 0.000 0.289 383 I C -1.933 174.234 176.117 0.083 0.000 1.001 383 I CA -2.317 59.047 61.300 0.107 0.000 1.193 383 I CB 0.847 38.961 38.000 0.190 0.000 1.345 383 I HN -0.259 nan 8.210 nan 0.000 0.461 384 P HA 0.135 nan 4.420 nan 0.000 0.265 384 P C -0.281 177.073 177.300 0.091 0.000 1.187 384 P CA 0.257 63.397 63.100 0.066 0.000 0.766 384 P CB 0.594 32.339 31.700 0.075 0.000 0.820 385 I N 3.009 123.619 120.570 0.066 0.000 2.312 385 I HA 0.194 4.364 4.170 0.000 0.000 0.290 385 I C -0.330 175.868 176.117 0.134 0.000 1.008 385 I CA -0.591 60.774 61.300 0.109 0.000 1.226 385 I CB 1.200 39.245 38.000 0.075 0.000 1.371 385 I HN -0.033 nan 8.210 nan 0.000 0.468 386 V N 7.818 127.823 119.914 0.151 0.000 2.305 386 V HA 0.356 4.476 4.120 0.000 0.000 0.275 386 V C 0.000 176.154 176.094 0.099 0.000 1.020 386 V CA -0.536 61.836 62.300 0.121 0.000 0.811 386 V CB 1.103 32.994 31.823 0.114 0.000 1.031 386 V HN 0.723 nan 8.190 nan 0.000 0.439 387 M N 5.188 124.835 119.600 0.079 0.000 2.227 387 M HA 0.741 5.221 4.480 0.000 0.000 0.335 387 M C -1.300 174.968 176.300 -0.054 0.000 1.053 387 M CA -0.475 54.839 55.300 0.023 0.000 0.973 387 M CB 1.538 34.161 32.600 0.039 0.000 1.623 387 M HN 0.275 nan 8.290 nan 0.000 0.434 388 L N 4.451 125.617 121.223 -0.096 0.000 2.290 388 L HA 0.579 4.919 4.340 0.000 0.000 0.284 388 L C -0.421 176.347 176.870 -0.170 0.000 1.078 388 L CA -0.912 53.830 54.840 -0.163 0.000 0.815 388 L CB 1.052 43.001 42.059 -0.183 0.000 1.162 388 L HN 0.568 nan 8.230 nan 0.000 0.435 389 V N 1.990 121.787 119.914 -0.196 0.000 2.612 389 V HA 0.415 4.535 4.120 0.000 0.000 0.301 389 V C -0.188 175.809 176.094 -0.162 0.000 1.046 389 V CA -0.150 62.049 62.300 -0.169 0.000 0.946 389 V CB 1.799 33.527 31.823 -0.158 0.000 1.003 389 V HN 0.860 nan 8.190 nan 0.000 0.459 390 D N 2.201 122.520 120.400 -0.135 0.000 4.301 390 D HA 0.024 4.664 4.640 0.000 0.000 0.244 390 D C -1.241 175.000 176.300 -0.099 0.000 1.450 390 D CA -0.050 53.887 54.000 -0.105 0.000 0.805 390 D CB 0.672 41.437 40.800 -0.060 0.000 1.354 390 D HN 0.355 nan 8.370 nan 0.000 0.861 391 V N 1.973 121.818 119.914 -0.115 0.000 2.459 391 V HA 0.645 4.765 4.120 0.000 0.000 0.295 391 V C -1.702 174.364 176.094 -0.048 0.000 1.029 391 V CA -1.964 60.274 62.300 -0.104 0.000 0.874 391 V CB 2.194 33.917 31.823 -0.166 0.000 0.985 391 V HN -0.002 nan 8.190 nan 0.000 0.438 392 P HA 0.271 nan 4.420 nan 0.000 0.227 392 P C 0.580 177.939 177.300 0.099 0.000 1.161 392 P CA 1.459 64.672 63.100 0.189 0.000 0.788 392 P CB 0.535 32.305 31.700 0.117 0.000 0.822 393 G N -0.834 107.914 108.800 -0.087 0.000 2.373 393 G HA2 0.205 4.165 3.960 0.000 0.000 0.250 393 G HA3 0.205 4.165 3.960 0.000 0.000 0.250 393 G C -1.763 172.913 174.900 -0.373 0.000 1.304 393 G CA -0.878 44.093 45.100 -0.215 0.000 0.948 393 G HN -0.026 nan 8.290 nan 0.000 0.474 394 F N 0.340 120.286 119.950 -0.007 0.000 2.421 394 F HA 0.607 5.134 4.527 0.000 0.000 0.337 394 F C 0.703 176.469 175.800 -0.056 0.000 1.105 394 F CA -0.686 57.299 58.000 -0.024 0.000 1.049 394 F CB 1.780 40.765 39.000 -0.026 0.000 1.139 394 F HN 0.384 nan 8.300 nan 0.000 0.479 395 L N 6.075 127.356 121.223 0.096 0.000 2.700 395 L HA 0.174 4.514 4.340 0.000 0.000 0.272 395 L C -2.348 174.486 176.870 -0.060 0.000 1.176 395 L CA -1.141 53.667 54.840 -0.053 0.000 0.961 395 L CB -0.580 41.396 42.059 -0.138 0.000 1.249 395 L HN 0.309 nan 8.230 nan 0.000 0.487 396 P HA 0.569 nan 4.420 nan 0.000 0.271 396 P C -0.566 176.660 177.300 -0.123 0.000 1.218 396 P CA -0.220 62.829 63.100 -0.085 0.000 0.780 396 P CB 1.065 32.718 31.700 -0.078 0.000 0.901 397 G N -0.233 108.491 108.800 -0.126 0.000 2.322 397 G HA2 0.195 4.155 3.960 0.000 0.000 0.289 397 G HA3 0.195 4.155 3.960 0.000 0.000 0.289 397 G C 0.552 175.329 174.900 -0.204 0.000 1.687 397 G CA -0.045 44.967 45.100 -0.146 0.000 0.944 397 G HN 0.499 nan 8.290 nan 0.000 0.718 398 T N -1.299 113.108 114.554 -0.245 0.000 2.777 398 T HA -0.056 4.294 4.350 0.000 0.000 0.266 398 T C 1.565 175.889 174.700 -0.626 0.000 1.040 398 T CA 2.231 64.027 62.100 -0.506 0.000 1.141 398 T CB -0.177 68.433 68.868 -0.430 0.000 0.868 398 T HN 0.325 nan 8.240 nan 0.000 0.444 399 D N 0.962 121.219 120.400 -0.238 0.000 2.149 399 D HA -0.096 4.544 4.640 0.000 0.000 0.198 399 D C 2.510 178.769 176.300 -0.068 0.000 0.990 399 D CA 0.888 54.858 54.000 -0.049 0.000 0.839 399 D CB -0.214 40.599 40.800 0.021 0.000 0.948 399 D HN 0.306 nan 8.370 nan 0.000 0.460 400 Q N 0.029 119.760 119.800 -0.114 0.000 2.096 400 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 400 Q C 2.094 178.038 176.000 -0.094 0.000 0.982 400 Q CA 1.219 56.974 55.803 -0.081 0.000 0.850 400 Q CB -0.258 28.426 28.738 -0.090 0.000 0.901 400 Q HN 0.340 nan 8.270 nan 0.000 0.422 401 E N -0.307 119.775 120.200 -0.196 0.000 2.047 401 E HA -0.145 4.205 4.350 0.000 0.000 0.191 401 E C 1.690 178.270 176.600 -0.033 0.000 0.987 401 E CA 0.949 57.241 56.400 -0.179 0.000 0.799 401 E CB -0.191 29.327 29.700 -0.304 0.000 0.752 401 E HN 0.307 nan 8.360 nan 0.000 0.449 402 Y N 0.588 120.878 120.300 -0.017 0.000 2.333 402 Y HA -0.064 4.486 4.550 0.000 0.000 0.290 402 Y C 1.514 177.410 175.900 -0.007 0.000 1.144 402 Y CA 1.117 59.210 58.100 -0.011 0.000 1.228 402 Y CB -0.701 37.754 38.460 -0.009 0.000 0.985 402 Y HN 0.191 nan 8.280 nan 0.000 0.542 403 N N -0.858 117.929 118.700 0.145 0.000 2.322 403 N HA 0.199 4.939 4.740 0.000 0.000 0.194 403 N C 0.617 176.161 175.510 0.057 0.000 1.126 403 N CA 0.384 53.487 53.050 0.090 0.000 0.845 403 N CB 0.202 38.733 38.487 0.072 0.000 0.976 403 N HN 0.328 nan 8.380 nan 0.000 0.475 404 G N 1.797 110.625 108.800 0.047 0.000 2.370 404 G HA2 -0.224 3.736 3.960 0.000 0.000 0.268 404 G HA3 -0.224 3.736 3.960 0.000 0.000 0.268 404 G C 0.584 175.482 174.900 -0.002 0.000 1.122 404 G CA -0.305 44.807 45.100 0.021 0.000 0.963 404 G HN 0.292 nan 8.290 nan 0.000 0.500 405 I N -0.137 120.417 120.570 -0.027 0.000 2.493 405 I HA 0.033 4.203 4.170 0.000 0.000 0.254 405 I C 2.317 178.375 176.117 -0.098 0.000 1.160 405 I CA 1.177 62.442 61.300 -0.058 0.000 1.445 405 I CB -0.181 37.765 38.000 -0.090 0.000 1.086 405 I HN 0.529 nan 8.210 nan 0.000 0.433 406 I N 0.073 120.589 120.570 -0.090 0.000 2.233 406 I HA -0.228 3.942 4.170 0.000 0.000 0.243 406 I C 2.671 178.753 176.117 -0.059 0.000 1.093 406 I CA 1.280 62.521 61.300 -0.099 0.000 1.380 406 I CB -0.461 37.495 38.000 -0.074 0.000 1.067 406 I HN 0.207 nan 8.210 nan 0.000 0.413 407 R N 1.284 121.765 120.500 -0.031 0.000 2.075 407 R HA -0.085 4.255 4.340 0.000 0.000 0.232 407 R C 2.289 178.585 176.300 -0.008 0.000 1.126 407 R CA 1.271 57.362 56.100 -0.016 0.000 0.963 407 R CB -0.012 30.284 30.300 -0.006 0.000 0.858 407 R HN 0.254 nan 8.270 nan 0.000 0.435 408 R N -0.778 119.721 120.500 -0.001 0.000 2.246 408 R HA 0.080 4.420 4.340 0.000 0.000 0.199 408 R C 2.034 178.351 176.300 0.029 0.000 0.984 408 R CA 0.792 56.903 56.100 0.019 0.000 1.015 408 R CB 0.202 30.522 30.300 0.033 0.000 0.930 408 R HN 0.351 nan 8.270 nan 0.000 0.475 409 G N 0.933 109.733 108.800 0.000 0.000 2.453 409 G HA2 -0.107 3.853 3.960 0.000 0.000 0.215 409 G HA3 -0.107 3.853 3.960 0.000 0.000 0.215 409 G C 1.507 176.430 174.900 0.038 0.000 1.147 409 G CA 0.492 45.600 45.100 0.014 0.000 0.802 409 G HN 0.307 nan 8.290 nan 0.000 0.535 410 A N 1.109 123.939 122.820 0.016 0.000 2.070 410 A HA 0.025 4.345 4.320 0.000 0.000 0.220 410 A C 2.213 179.855 177.584 0.096 0.000 1.159 410 A CA 1.663 53.728 52.037 0.048 0.000 0.656 410 A CB -0.288 18.731 19.000 0.032 0.000 0.800 410 A HN 0.388 nan 8.150 nan 0.000 0.453 411 K N -0.458 119.990 120.400 0.080 0.000 2.103 411 K HA -0.109 4.211 4.320 0.000 0.000 0.207 411 K C 1.830 178.526 176.600 0.160 0.000 1.048 411 K CA 1.361 57.707 56.287 0.099 0.000 0.930 411 K CB -0.370 32.170 32.500 0.067 0.000 0.716 411 K HN 0.510 nan 8.250 nan 0.000 0.444 412 L N 1.069 122.378 121.223 0.143 0.000 2.093 412 L HA -0.163 4.177 4.340 0.000 0.000 0.208 412 L C 2.232 179.198 176.870 0.159 0.000 1.085 412 L CA 0.929 55.860 54.840 0.152 0.000 0.755 412 L CB -0.115 42.019 42.059 0.126 0.000 0.904 412 L HN 0.229 nan 8.230 nan 0.000 0.435 413 L N -1.580 119.726 121.223 0.139 0.000 2.042 413 L HA -0.312 4.028 4.340 0.000 0.000 0.210 413 L C 2.462 179.426 176.870 0.157 0.000 1.076 413 L CA 1.624 56.534 54.840 0.117 0.000 0.749 413 L CB -0.618 41.496 42.059 0.092 0.000 0.893 413 L HN 0.281 nan 8.230 nan 0.000 0.432 414 Y N 0.306 120.647 120.300 0.068 0.000 2.089 414 Y HA -0.321 4.229 4.550 0.000 0.000 0.282 414 Y C 2.560 178.503 175.900 0.071 0.000 1.139 414 Y CA 1.644 59.780 58.100 0.059 0.000 1.123 414 Y CB -0.364 38.122 38.460 0.043 0.000 0.980 414 Y HN 0.130 nan 8.280 nan 0.000 0.493 415 A N -0.418 122.607 122.820 0.342 0.000 1.915 415 A HA -0.338 3.982 4.320 0.000 0.000 0.220 415 A C 2.154 179.812 177.584 0.123 0.000 1.198 415 A CA 2.272 54.447 52.037 0.231 0.000 0.647 415 A CB -1.689 17.439 19.000 0.214 0.000 0.825 415 A HN 0.754 nan 8.150 nan 0.000 0.456 416 Y N 0.066 120.378 120.300 0.020 0.000 2.130 416 Y HA 0.054 4.604 4.550 0.000 0.000 0.287 416 Y C 2.624 178.484 175.900 -0.067 0.000 1.124 416 Y CA 1.607 59.697 58.100 -0.017 0.000 1.118 416 Y CB -0.759 37.694 38.460 -0.013 0.000 0.994 416 Y HN 0.264 nan 8.280 nan 0.000 0.497 417 G N -0.472 108.386 108.800 0.098 0.000 2.462 417 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 417 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 417 G C 1.518 176.313 174.900 -0.176 0.000 1.121 417 G CA 1.066 46.142 45.100 -0.039 0.000 0.758 417 G HN 0.526 nan 8.290 nan 0.000 0.559 418 E N 0.406 120.460 120.200 -0.243 0.000 2.122 418 E HA 0.234 4.584 4.350 0.000 0.000 0.190 418 E C 1.678 178.171 176.600 -0.178 0.000 0.977 418 E CA 0.171 56.412 56.400 -0.266 0.000 0.820 418 E CB -0.097 29.407 29.700 -0.327 0.000 0.770 418 E HN 0.317 nan 8.360 nan 0.000 0.462 419 A N 0.797 123.506 122.820 -0.186 0.000 2.587 419 A HA -0.018 4.302 4.320 0.000 0.000 0.235 419 A C 1.001 178.471 177.584 -0.191 0.000 1.044 419 A CA 1.025 52.944 52.037 -0.198 0.000 0.754 419 A CB 0.154 18.982 19.000 -0.287 0.000 0.968 419 A HN 0.405 nan 8.150 nan 0.000 0.509 420 T N -0.558 113.912 114.554 -0.139 0.000 2.975 420 T HA 0.300 4.650 4.350 0.000 0.000 0.257 420 T C 0.650 175.295 174.700 -0.091 0.000 1.003 420 T CA 0.510 62.545 62.100 -0.108 0.000 0.932 420 T CB -1.217 67.604 68.868 -0.078 0.000 1.087 420 T HN 1.318 nan 8.240 nan 0.000 0.512 421 V N -0.210 119.648 119.914 -0.093 0.000 3.376 421 V HA 0.425 4.545 4.120 0.000 0.000 0.303 421 V C -2.703 173.352 176.094 -0.065 0.000 1.100 421 V CA -2.198 60.066 62.300 -0.061 0.000 1.126 421 V CB -0.546 31.251 31.823 -0.044 0.000 1.085 421 V HN -0.005 nan 8.190 nan 0.000 0.480 422 P HA 0.246 nan 4.420 nan 0.000 0.265 422 P C -1.012 176.275 177.300 -0.023 0.000 1.193 422 P CA 0.304 63.397 63.100 -0.012 0.000 0.765 422 P CB 0.211 31.922 31.700 0.018 0.000 0.823 423 K N 3.476 123.861 120.400 -0.024 0.000 2.483 423 K HA 0.506 4.826 4.320 0.000 0.000 0.256 423 K C -0.636 176.008 176.600 0.073 0.000 0.961 423 K CA -0.094 56.187 56.287 -0.010 0.000 0.873 423 K CB 0.746 33.176 32.500 -0.116 0.000 1.107 423 K HN 0.376 nan 8.250 nan 0.000 0.432 424 I N 2.084 122.713 120.570 0.099 0.000 2.433 424 I HA 0.404 4.574 4.170 0.000 0.000 0.292 424 I C -0.398 175.775 176.117 0.093 0.000 1.001 424 I CA -0.716 60.642 61.300 0.097 0.000 1.119 424 I CB 2.340 40.397 38.000 0.096 0.000 1.289 424 I HN 0.422 nan 8.210 nan 0.000 0.438 425 T N 5.114 119.703 114.554 0.058 0.000 2.861 425 T HA 0.543 4.893 4.350 0.000 0.000 0.287 425 T C -0.629 174.042 174.700 -0.049 0.000 1.003 425 T CA -0.487 61.616 62.100 0.004 0.000 0.977 425 T CB 2.280 71.138 68.868 -0.016 0.000 0.996 425 T HN 0.217 nan 8.240 nan 0.000 0.448 426 V N 4.279 124.126 119.914 -0.111 0.000 2.419 426 V HA 0.422 4.542 4.120 0.000 0.000 0.287 426 V C -0.223 175.685 176.094 -0.309 0.000 1.017 426 V CA -0.753 61.425 62.300 -0.204 0.000 0.844 426 V CB 1.150 32.836 31.823 -0.229 0.000 1.011 426 V HN 0.828 nan 8.190 nan 0.000 0.429 427 I N 4.603 125.010 120.570 -0.271 0.000 2.363 427 I HA 0.141 4.311 4.170 0.000 0.000 0.292 427 I C 1.688 177.550 176.117 -0.424 0.000 1.075 427 I CA 0.223 61.361 61.300 -0.269 0.000 1.333 427 I CB 1.614 39.524 38.000 -0.150 0.000 1.415 427 I HN 0.811 nan 8.210 nan 0.000 0.502 428 T N 3.288 117.533 114.554 -0.515 0.000 3.044 428 T HA 0.139 4.489 4.350 0.000 0.000 0.255 428 T C 1.335 175.940 174.700 -0.159 0.000 1.073 428 T CA 0.353 62.063 62.100 -0.650 0.000 1.125 428 T CB 0.490 68.838 68.868 -0.867 0.000 0.908 428 T HN 0.645 nan 8.240 nan 0.000 0.480 429 R N 0.026 120.459 120.500 -0.112 0.000 3.724 429 R HA 0.383 4.723 4.340 0.000 0.000 0.097 429 R C -0.768 175.466 176.300 -0.111 0.000 0.873 429 R CA -0.524 55.558 56.100 -0.031 0.000 0.669 429 R CB 0.394 30.748 30.300 0.089 0.000 0.724 429 R HN 0.034 nan 8.270 nan 0.000 0.357 430 K N 0.477 120.806 120.400 -0.118 0.000 2.185 430 K HA 0.535 4.855 4.320 0.000 0.000 0.271 430 K C -1.176 175.227 176.600 -0.327 0.000 1.013 430 K CA 0.176 56.294 56.287 -0.283 0.000 0.943 430 K CB 1.733 34.151 32.500 -0.136 0.000 0.998 430 K HN 0.466 nan 8.250 nan 0.000 0.468 431 A N 3.180 125.661 122.820 -0.565 0.000 2.664 431 A HA 0.301 4.621 4.320 0.000 0.000 0.300 431 A C -1.869 175.501 177.584 -0.356 0.000 1.210 431 A CA -0.706 51.151 52.037 -0.300 0.000 0.863 431 A CB 0.040 18.966 19.000 -0.124 0.000 1.464 431 A HN 0.560 nan 8.150 nan 0.000 0.438 432 Y N 0.689 120.983 120.300 -0.011 0.000 2.446 432 Y HA 0.652 5.202 4.550 0.000 0.000 0.338 432 Y C 1.366 177.273 175.900 0.011 0.000 1.055 432 Y CA 0.272 58.362 58.100 -0.016 0.000 1.101 432 Y CB 1.645 40.085 38.460 -0.033 0.000 1.221 432 Y HN 1.390 nan 8.280 nan 0.000 0.460 433 G N 1.458 110.383 108.800 0.209 0.000 2.602 433 G HA2 -0.340 3.620 3.960 0.000 0.000 0.317 433 G HA3 -0.340 3.620 3.960 0.000 0.000 0.317 433 G C 1.390 176.405 174.900 0.192 0.000 1.327 433 G CA 0.515 45.711 45.100 0.159 0.000 0.971 433 G HN 1.274 nan 8.290 nan 0.000 0.540 434 G N -0.237 108.691 108.800 0.213 0.000 2.475 434 G HA2 0.138 4.098 3.960 0.000 0.000 0.220 434 G HA3 0.138 4.098 3.960 0.000 0.000 0.220 434 G C 2.159 177.176 174.900 0.194 0.000 1.125 434 G CA 2.962 48.222 45.100 0.267 0.000 0.755 434 G HN 1.859 nan 8.290 nan 0.000 0.565 435 A N 0.167 122.984 122.820 -0.005 0.000 1.940 435 A HA -0.097 4.223 4.320 0.000 0.000 0.219 435 A C 2.161 179.678 177.584 -0.112 0.000 1.176 435 A CA 1.817 53.687 52.037 -0.279 0.000 0.631 435 A CB -0.668 18.084 19.000 -0.414 0.000 0.814 435 A HN 0.569 nan 8.150 nan 0.000 0.446 436 Y N 0.455 120.687 120.300 -0.113 0.000 2.128 436 Y HA -0.304 4.246 4.550 0.000 0.000 0.284 436 Y C 2.509 178.338 175.900 -0.119 0.000 1.154 436 Y CA 1.557 59.586 58.100 -0.118 0.000 1.149 436 Y CB -1.018 37.392 38.460 -0.083 0.000 0.976 436 Y HN 0.373 nan 8.280 nan 0.000 0.505 437 C N -0.832 118.291 119.300 -0.295 0.000 2.413 437 C HA -0.169 4.291 4.460 0.000 0.000 0.276 437 C C 2.920 177.715 174.990 -0.326 0.000 1.248 437 C CA 1.267 60.065 59.018 -0.367 0.000 1.742 437 C CB -1.469 26.218 27.740 -0.088 0.000 2.017 437 C HN 0.569 nan 8.230 nan 0.000 0.481 438 V N 0.235 120.035 119.914 -0.191 0.000 2.871 438 V HA 0.092 4.212 4.120 0.000 0.000 0.256 438 V C 1.212 177.113 176.094 -0.321 0.000 1.082 438 V CA 1.264 63.463 62.300 -0.168 0.000 1.105 438 V CB -0.360 31.471 31.823 0.013 0.000 0.713 438 V HN 0.463 nan 8.190 nan 0.000 0.473 439 M N 1.547 120.934 119.600 -0.354 0.000 3.709 439 M HA 0.382 4.862 4.480 0.000 0.000 0.202 439 M C 1.120 177.120 176.300 -0.499 0.000 1.360 439 M CA 0.047 55.128 55.300 -0.366 0.000 1.600 439 M CB -1.247 31.199 32.600 -0.257 0.000 1.061 439 M HN 0.437 nan 8.290 nan 0.000 0.575 440 G N 1.999 110.288 108.800 -0.851 0.000 2.367 440 G HA2 -0.212 3.748 3.960 0.000 0.000 0.295 440 G HA3 -0.212 3.748 3.960 0.000 0.000 0.295 440 G C 0.298 174.927 174.900 -0.453 0.000 1.019 440 G CA 0.499 45.030 45.100 -0.949 0.000 1.224 440 G HN 0.732 nan 8.290 nan 0.000 0.510 441 S N -0.713 114.676 115.700 -0.519 0.000 2.603 441 S HA 0.585 5.055 4.470 0.000 0.000 0.268 441 S C 1.531 176.010 174.600 -0.203 0.000 1.317 441 S CA 0.289 58.179 58.200 -0.517 0.000 1.012 441 S CB 1.993 64.701 63.200 -0.821 0.000 0.926 441 S HN 0.662 nan 8.310 nan 0.000 0.539 442 K N 1.230 121.561 120.400 -0.114 0.000 2.001 442 K HA -0.195 4.125 4.320 0.000 0.000 0.214 442 K C 1.094 177.675 176.600 -0.032 0.000 1.050 442 K CA 2.362 58.645 56.287 -0.008 0.000 0.934 442 K CB -0.821 31.727 32.500 0.080 0.000 0.718 442 K HN 0.750 nan 8.250 nan 0.000 0.443 443 D N -0.333 119.998 120.400 -0.115 0.000 2.378 443 D HA -0.094 4.546 4.640 0.000 0.000 0.227 443 D C 0.978 177.245 176.300 -0.055 0.000 1.012 443 D CA 0.503 54.452 54.000 -0.085 0.000 0.905 443 D CB 0.154 40.869 40.800 -0.142 0.000 0.895 443 D HN 0.266 nan 8.370 nan 0.000 0.532 444 M N -0.697 118.877 119.600 -0.044 0.000 2.431 444 M HA 0.145 4.625 4.480 0.000 0.000 0.237 444 M C 1.211 177.584 176.300 0.122 0.000 1.130 444 M CA 0.172 55.486 55.300 0.023 0.000 1.002 444 M CB 0.532 33.119 32.600 -0.022 0.000 1.524 444 M HN 0.166 nan 8.290 nan 0.000 0.482 445 G N -0.128 108.720 108.800 0.078 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 0.245 175.173 174.900 0.047 0.000 0.999 445 G CA -0.094 45.028 45.100 0.036 0.000 0.659 445 G HN 0.452 nan 8.290 nan 0.000 0.503 446 C N 1.809 121.203 119.300 0.157 0.000 2.648 446 C HA 0.445 4.905 4.460 0.000 0.000 0.419 446 C C 1.818 176.854 174.990 0.076 0.000 1.352 446 C CA 0.550 59.659 59.018 0.151 0.000 1.816 446 C CB -0.135 27.717 27.740 0.187 0.000 2.598 446 C HN 0.498 nan 8.230 nan 0.000 0.598 447 D N 2.079 122.514 120.400 0.057 0.000 2.149 447 D HA 0.008 4.648 4.640 0.000 0.000 0.206 447 D C 0.361 176.704 176.300 0.072 0.000 0.967 447 D CA 1.330 55.361 54.000 0.052 0.000 0.848 447 D CB 0.181 41.004 40.800 0.037 0.000 0.998 447 D HN 0.428 nan 8.370 nan 0.000 0.474 448 V N 1.394 121.357 119.914 0.082 0.000 2.482 448 V HA 0.344 4.464 4.120 0.000 0.000 0.295 448 V C -1.690 174.447 176.094 0.072 0.000 1.026 448 V CA -0.683 61.673 62.300 0.092 0.000 0.856 448 V CB 1.344 33.242 31.823 0.124 0.000 1.001 448 V HN -0.121 nan 8.190 nan 0.000 0.424 449 N N 6.487 125.222 118.700 0.059 0.000 2.424 449 N HA 0.707 5.447 4.740 0.000 0.000 0.271 449 N C -1.023 174.480 175.510 -0.012 0.000 0.985 449 N CA -0.296 52.773 53.050 0.032 0.000 0.921 449 N CB 1.733 40.257 38.487 0.062 0.000 1.149 449 N HN 0.654 nan 8.380 nan 0.000 0.492 450 L N 1.159 122.345 121.223 -0.061 0.000 2.333 450 L HA 0.935 5.275 4.340 0.000 0.000 0.269 450 L C -0.329 176.484 176.870 -0.095 0.000 1.010 450 L CA -1.109 53.657 54.840 -0.123 0.000 0.818 450 L CB 1.808 43.746 42.059 -0.201 0.000 1.306 450 L HN 0.492 nan 8.230 nan 0.000 0.430 451 A N 0.930 123.710 122.820 -0.067 0.000 2.427 451 A HA 0.651 4.971 4.320 0.000 0.000 0.298 451 A C -1.603 176.032 177.584 0.086 0.000 1.036 451 A CA -0.532 51.472 52.037 -0.056 0.000 0.701 451 A CB 0.917 19.864 19.000 -0.088 0.000 1.250 451 A HN 0.525 nan 8.150 nan 0.000 0.412 452 W N 1.886 123.100 121.300 -0.143 0.000 2.086 452 W HA 0.419 5.079 4.660 0.000 0.000 0.355 452 W C -1.902 174.519 176.519 -0.164 0.000 1.313 452 W CA -1.557 55.703 57.345 -0.141 0.000 1.358 452 W CB -0.294 29.095 29.460 -0.118 0.000 1.166 452 W HN 0.495 nan 8.180 nan 0.000 0.630 453 P HA -0.131 nan 4.420 nan 0.000 0.220 453 P C 1.284 178.574 177.300 -0.017 0.000 1.148 453 P CA 2.388 65.471 63.100 -0.028 0.000 0.803 453 P CB 0.004 31.690 31.700 -0.025 0.000 0.782 454 T N -3.514 111.071 114.554 0.051 0.000 3.160 454 T HA 0.286 4.636 4.350 0.000 0.000 0.257 454 T C 0.961 175.664 174.700 0.004 0.000 1.147 454 T CA -0.075 62.050 62.100 0.041 0.000 1.064 454 T CB -0.742 68.176 68.868 0.083 0.000 0.949 454 T HN 0.032 nan 8.240 nan 0.000 0.526 455 A N 1.677 124.481 122.820 -0.026 0.000 2.531 455 A HA 0.340 4.660 4.320 0.000 0.000 0.236 455 A C 0.220 177.725 177.584 -0.131 0.000 1.062 455 A CA -0.207 51.772 52.037 -0.097 0.000 0.760 455 A CB 0.038 18.965 19.000 -0.123 0.000 0.995 455 A HN 0.599 nan 8.150 nan 0.000 0.501 456 Q N 1.800 121.491 119.800 -0.180 0.000 2.616 456 Q HA 0.410 4.750 4.340 0.000 0.000 0.250 456 Q C -1.419 174.375 176.000 -0.343 0.000 0.991 456 Q CA 0.076 55.758 55.803 -0.201 0.000 0.707 456 Q CB 1.402 30.046 28.738 -0.157 0.000 1.247 456 Q HN 0.714 nan 8.270 nan 0.000 0.491 457 I N 1.898 122.318 120.570 -0.250 0.000 2.306 457 I HA 0.678 4.848 4.170 0.000 0.000 0.288 457 I C -0.137 175.870 176.117 -0.184 0.000 1.036 457 I CA -0.441 60.681 61.300 -0.297 0.000 1.221 457 I CB 0.981 38.792 38.000 -0.315 0.000 1.385 457 I HN 0.473 nan 8.210 nan 0.000 0.472 458 A N 4.810 127.588 122.820 -0.070 0.000 2.556 458 A HA 0.567 4.887 4.320 0.000 0.000 0.294 458 A C 0.618 178.307 177.584 0.176 0.000 1.091 458 A CA -0.537 51.575 52.037 0.124 0.000 0.704 458 A CB 1.390 20.586 19.000 0.326 0.000 1.300 458 A HN 0.350 nan 8.150 nan 0.000 0.406 459 V N 0.530 120.511 119.914 0.113 0.000 2.380 459 V HA -0.126 3.994 4.120 0.000 0.000 0.251 459 V C 1.014 177.143 176.094 0.060 0.000 1.063 459 V CA 2.760 65.100 62.300 0.067 0.000 1.055 459 V CB -1.355 30.483 31.823 0.024 0.000 0.657 459 V HN 0.917 nan 8.190 nan 0.000 0.455 460 M N -2.879 116.747 119.600 0.044 0.000 3.084 460 M HA 0.626 5.106 4.480 0.000 0.000 0.273 460 M C -0.072 176.012 176.300 -0.359 0.000 1.242 460 M CA -0.386 54.822 55.300 -0.152 0.000 0.819 460 M CB 1.272 33.733 32.600 -0.232 0.000 1.625 460 M HN -0.027 nan 8.290 nan 0.000 0.493 461 G N 0.093 108.498 108.800 -0.658 0.000 2.559 461 G HA2 0.422 4.382 3.960 0.000 0.000 0.235 461 G HA3 0.422 4.382 3.960 0.000 0.000 0.235 461 G C 0.748 175.478 174.900 -0.284 0.000 1.266 461 G CA 0.013 44.726 45.100 -0.644 0.000 0.847 461 G HN 1.034 nan 8.290 nan 0.000 0.583 462 A N 1.283 124.028 122.820 -0.124 0.000 1.902 462 A HA -0.060 4.260 4.320 0.000 0.000 0.217 462 A C 2.706 180.197 177.584 -0.156 0.000 1.181 462 A CA 2.320 54.307 52.037 -0.082 0.000 0.623 462 A CB -0.867 18.212 19.000 0.133 0.000 0.818 462 A HN 0.859 nan 8.150 nan 0.000 0.443 463 S N -0.726 114.917 115.700 -0.095 0.000 2.400 463 S HA -0.067 4.403 4.470 0.000 0.000 0.232 463 S C 1.823 176.384 174.600 -0.066 0.000 1.025 463 S CA 1.792 59.955 58.200 -0.063 0.000 0.993 463 S CB -0.466 62.706 63.200 -0.046 0.000 0.808 463 S HN 0.717 nan 8.310 nan 0.000 0.478 464 G N -0.568 108.165 108.800 -0.112 0.000 2.744 464 G HA2 0.368 4.328 3.960 0.000 0.000 0.211 464 G HA3 0.368 4.328 3.960 0.000 0.000 0.211 464 G C 1.400 176.248 174.900 -0.086 0.000 1.146 464 G CA 0.582 45.646 45.100 -0.061 0.000 0.787 464 G HN 0.591 nan 8.290 nan 0.000 0.534 465 A N 0.879 123.543 122.820 -0.260 0.000 1.903 465 A HA 0.159 4.479 4.320 0.000 0.000 0.213 465 A C 2.613 180.046 177.584 -0.251 0.000 1.185 465 A CA 1.653 53.454 52.037 -0.394 0.000 0.628 465 A CB -0.676 17.813 19.000 -0.852 0.000 0.830 465 A HN 0.700 nan 8.150 nan 0.000 0.446 466 V N -1.367 118.428 119.914 -0.199 0.000 2.469 466 V HA -0.129 3.991 4.120 0.000 0.000 0.251 466 V C 2.332 178.484 176.094 0.096 0.000 1.064 466 V CA 2.026 64.344 62.300 0.030 0.000 1.066 466 V CB -1.903 29.993 31.823 0.121 0.000 0.667 466 V HN 0.383 nan 8.190 nan 0.000 0.461 467 G N -0.380 108.484 108.800 0.107 0.000 2.421 467 G HA2 -0.169 3.791 3.960 0.000 0.000 0.216 467 G HA3 -0.169 3.791 3.960 0.000 0.000 0.216 467 G C 1.263 176.186 174.900 0.040 0.000 1.171 467 G CA 1.299 46.448 45.100 0.081 0.000 0.775 467 G HN 0.530 nan 8.290 nan 0.000 0.543 468 F N 0.408 120.302 119.950 -0.093 0.000 2.074 468 F HA 0.090 4.617 4.527 0.000 0.000 0.290 468 F C 2.832 178.563 175.800 -0.116 0.000 1.118 468 F CA 0.378 58.324 58.000 -0.090 0.000 1.199 468 F CB -1.110 37.832 39.000 -0.096 0.000 1.012 468 F HN -0.067 nan 8.300 nan 0.000 0.472 469 V N -0.665 119.263 119.914 0.022 0.000 2.223 469 V HA -0.327 3.793 4.120 0.000 0.000 0.246 469 V C 0.775 176.739 176.094 -0.216 0.000 1.045 469 V CA 1.638 63.810 62.300 -0.213 0.000 1.004 469 V CB -1.132 30.376 31.823 -0.526 0.000 0.641 469 V HN 0.270 nan 8.190 nan 0.000 0.457 470 Y N 0.871 121.198 120.300 0.045 0.000 2.724 470 Y HA 0.287 4.837 4.550 0.000 0.000 0.354 470 Y C 1.421 177.327 175.900 0.010 0.000 1.270 470 Y CA -0.175 57.944 58.100 0.031 0.000 1.902 470 Y CB -0.730 37.748 38.460 0.029 0.000 1.981 470 Y HN 0.105 nan 8.280 nan 0.000 0.428 471 R N 0.682 121.236 120.500 0.089 0.000 2.062 471 R HA -0.097 4.243 4.340 0.000 0.000 0.226 471 R C 1.879 178.202 176.300 0.039 0.000 1.125 471 R CA 1.396 57.515 56.100 0.031 0.000 0.966 471 R CB 0.057 30.349 30.300 -0.013 0.000 0.861 471 R HN 0.371 nan 8.270 nan 0.000 0.433 472 Q N 0.649 120.480 119.800 0.052 0.000 2.050 472 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 472 Q C 2.045 178.073 176.000 0.047 0.000 0.980 472 Q CA 1.772 57.600 55.803 0.042 0.000 0.840 472 Q CB -0.386 28.380 28.738 0.046 0.000 0.898 472 Q HN 0.566 nan 8.270 nan 0.000 0.424 473 Q N 0.081 119.927 119.800 0.076 0.000 2.234 473 Q HA -0.063 4.277 4.340 0.000 0.000 0.206 473 Q C 1.998 178.016 176.000 0.030 0.000 0.980 473 Q CA 0.771 56.604 55.803 0.050 0.000 0.869 473 Q CB -0.046 28.722 28.738 0.049 0.000 0.912 473 Q HN 0.342 nan 8.270 nan 0.000 0.436 474 L N -0.739 120.510 121.223 0.043 0.000 2.558 474 L HA 0.084 4.424 4.340 0.000 0.000 0.225 474 L C 1.935 178.809 176.870 0.006 0.000 1.128 474 L CA 0.157 55.011 54.840 0.022 0.000 0.868 474 L CB -0.076 42.002 42.059 0.031 0.000 1.006 474 L HN 0.142 nan 8.230 nan 0.000 0.454 475 A N 0.006 122.831 122.820 0.007 0.000 1.938 475 A HA -0.013 4.307 4.320 0.000 0.000 0.207 475 A C 2.054 179.638 177.584 -0.001 0.000 1.292 475 A CA 0.241 52.276 52.037 -0.002 0.000 0.700 475 A CB -0.113 18.884 19.000 -0.005 0.000 0.947 475 A HN 0.257 nan 8.150 nan 0.000 0.476 476 E N 0.469 120.672 120.200 0.004 0.000 2.058 476 E HA -0.181 4.169 4.350 0.000 0.000 0.194 476 E C 2.190 178.790 176.600 -0.000 0.000 0.997 476 E CA 1.199 57.600 56.400 0.003 0.000 0.801 476 E CB -0.316 29.389 29.700 0.007 0.000 0.746 476 E HN 0.566 nan 8.360 nan 0.000 0.450 477 A N 1.503 124.323 122.820 -0.000 0.000 1.972 477 A HA -0.061 4.259 4.320 0.000 0.000 0.219 477 A C 2.397 179.977 177.584 -0.005 0.000 1.169 477 A CA 1.414 53.448 52.037 -0.004 0.000 0.635 477 A CB -0.567 18.428 19.000 -0.007 0.000 0.810 477 A HN 0.287 nan 8.150 nan 0.000 0.446 478 A N -0.621 122.196 122.820 -0.005 0.000 2.076 478 A HA 0.158 4.478 4.320 0.000 0.000 0.220 478 A C 2.214 179.793 177.584 -0.007 0.000 1.160 478 A CA 2.134 54.167 52.037 -0.007 0.000 0.653 478 A CB -0.532 18.463 19.000 -0.009 0.000 0.801 478 A HN 0.941 nan 8.150 nan 0.000 0.455 479 A N -0.436 122.381 122.820 -0.006 0.000 1.963 479 A HA 0.236 4.556 4.320 0.000 0.000 0.211 479 A C 1.500 179.082 177.584 -0.005 0.000 1.380 479 A CA 0.839 52.872 52.037 -0.005 0.000 0.690 479 A CB -0.370 18.627 19.000 -0.005 0.000 1.060 479 A HN 0.514 nan 8.150 nan 0.000 0.498 480 N N 0.463 119.161 118.700 -0.004 0.000 2.199 480 N HA 0.320 5.060 4.740 0.000 0.000 0.254 480 N C 0.934 176.441 175.510 -0.005 0.000 1.299 480 N CA 0.900 53.947 53.050 -0.004 0.000 0.940 480 N CB -0.712 37.773 38.487 -0.003 0.000 1.051 480 N HN 0.319 nan 8.380 nan 0.000 0.426 481 G N -0.052 108.744 108.800 -0.005 0.000 2.404 481 G HA2 0.142 4.102 3.960 0.000 0.000 0.289 481 G HA3 0.142 4.102 3.960 0.000 0.000 0.289 481 G C 0.347 175.242 174.900 -0.008 0.000 1.074 481 G CA -0.025 45.071 45.100 -0.007 0.000 1.210 481 G HN 0.593 nan 8.290 nan 0.000 0.434 482 E N 1.800 121.996 120.200 -0.008 0.000 3.536 482 E HA 0.289 4.639 4.350 0.000 0.000 0.381 482 E C 0.177 176.771 176.600 -0.009 0.000 0.471 482 E CA 0.108 56.503 56.400 -0.008 0.000 2.090 482 E CB 0.164 29.859 29.700 -0.007 0.000 2.208 482 E HN 0.302 nan 8.360 nan 0.000 0.475 483 D N 0.377 120.772 120.400 -0.008 0.000 2.956 483 D HA -0.130 4.510 4.640 0.000 0.000 0.240 483 D C -0.245 176.050 176.300 -0.009 0.000 1.141 483 D CA 0.353 54.348 54.000 -0.008 0.000 0.820 483 D CB -0.898 39.897 40.800 -0.008 0.000 0.988 483 D HN 0.403 nan 8.370 nan 0.000 0.417 484 I N 1.480 122.045 120.570 -0.008 0.000 2.361 484 I HA 0.044 4.214 4.170 0.000 0.000 0.167 484 I C 2.228 178.341 176.117 -0.007 0.000 1.422 484 I CA 1.189 62.484 61.300 -0.008 0.000 0.586 484 I CB -1.002 36.994 38.000 -0.007 0.000 1.883 484 I HN 0.542 nan 8.210 nan 0.000 1.130 485 D N -1.756 118.641 120.400 -0.006 0.000 2.601 485 D HA -0.285 4.355 4.640 0.000 0.000 0.180 485 D C 1.267 177.564 176.300 -0.004 0.000 1.213 485 D CA 1.955 55.953 54.000 -0.004 0.000 1.112 485 D CB -1.043 39.755 40.800 -0.004 0.000 1.132 485 D HN 0.566 nan 8.370 nan 0.000 0.418 486 K N 0.311 120.707 120.400 -0.008 0.000 2.190 486 K HA 0.204 4.524 4.320 0.000 0.000 0.202 486 K C 2.053 178.643 176.600 -0.016 0.000 1.045 486 K CA 0.655 56.936 56.287 -0.010 0.000 0.976 486 K CB -0.150 32.344 32.500 -0.010 0.000 0.849 486 K HN 0.321 nan 8.250 nan 0.000 0.468 487 L N 1.873 123.083 121.223 -0.021 0.000 2.291 487 L HA 0.045 4.385 4.340 0.000 0.000 0.214 487 L C 2.496 179.342 176.870 -0.040 0.000 1.120 487 L CA 1.280 56.098 54.840 -0.037 0.000 0.799 487 L CB -0.284 41.752 42.059 -0.038 0.000 0.925 487 L HN 0.115 nan 8.230 nan 0.000 0.446 488 R N -0.786 119.703 120.500 -0.019 0.000 2.062 488 R HA -0.093 4.247 4.340 0.000 0.000 0.229 488 R C 1.834 178.135 176.300 0.002 0.000 1.128 488 R CA 1.531 57.629 56.100 -0.003 0.000 0.960 488 R CB -0.285 30.017 30.300 0.004 0.000 0.855 488 R HN 0.361 nan 8.270 nan 0.000 0.432 489 L N 0.958 122.181 121.223 0.001 0.000 2.551 489 L HA 0.077 4.417 4.340 0.000 0.000 0.228 489 L C 2.390 179.264 176.870 0.007 0.000 1.153 489 L CA 1.127 55.972 54.840 0.009 0.000 0.851 489 L CB -0.406 41.657 42.059 0.007 0.000 0.959 489 L HN 0.200 nan 8.230 nan 0.000 0.451 490 R N -0.671 119.822 120.500 -0.012 0.000 2.105 490 R HA 0.047 4.387 4.340 0.000 0.000 0.214 490 R C 2.098 178.379 176.300 -0.033 0.000 1.091 490 R CA 0.625 56.712 56.100 -0.022 0.000 1.007 490 R CB 0.019 30.294 30.300 -0.042 0.000 0.912 490 R HN 0.264 nan 8.270 nan 0.000 0.450 491 L N 0.790 121.971 121.223 -0.070 0.000 2.056 491 L HA -0.140 4.200 4.340 0.000 0.000 0.207 491 L C 2.787 179.713 176.870 0.095 0.000 1.078 491 L CA 1.417 56.185 54.840 -0.120 0.000 0.749 491 L CB -0.515 41.392 42.059 -0.253 0.000 0.901 491 L HN 0.354 nan 8.230 nan 0.000 0.433 492 Q N 0.107 119.961 119.800 0.091 0.000 2.124 492 Q HA -0.285 4.055 4.340 0.000 0.000 0.202 492 Q C 2.263 178.350 176.000 0.146 0.000 0.977 492 Q CA 1.720 57.596 55.803 0.122 0.000 0.850 492 Q CB -0.070 28.706 28.738 0.063 0.000 0.901 492 Q HN 0.489 nan 8.270 nan 0.000 0.429 493 Q N 0.195 120.052 119.800 0.095 0.000 2.123 493 Q HA -0.213 4.127 4.340 0.000 0.000 0.199 493 Q C 1.809 177.870 176.000 0.102 0.000 0.966 493 Q CA 1.467 57.321 55.803 0.085 0.000 0.845 493 Q CB -0.000 28.767 28.738 0.048 0.000 0.907 493 Q HN 0.515 nan 8.270 nan 0.000 0.439 494 E N -0.751 119.512 120.200 0.106 0.000 2.106 494 E HA -0.202 4.148 4.350 0.000 0.000 0.192 494 E C 1.702 178.409 176.600 0.179 0.000 0.984 494 E CA 0.824 57.290 56.400 0.109 0.000 0.806 494 E CB -0.156 29.584 29.700 0.068 0.000 0.750 494 E HN 0.439 nan 8.360 nan 0.000 0.458 495 Y N 1.208 121.589 120.300 0.135 0.000 2.220 495 Y HA -0.141 4.409 4.550 0.000 0.000 0.291 495 Y C 2.171 178.128 175.900 0.095 0.000 1.129 495 Y CA 1.960 60.146 58.100 0.144 0.000 1.161 495 Y CB -0.005 38.564 38.460 0.180 0.000 0.997 495 Y HN 0.061 nan 8.280 nan 0.000 0.522 496 E N 0.263 120.637 120.200 0.289 0.000 2.204 496 E HA -0.188 4.162 4.350 0.000 0.000 0.195 496 E C 1.101 177.759 176.600 0.096 0.000 0.990 496 E CA 1.852 58.367 56.400 0.192 0.000 0.821 496 E CB -0.260 29.541 29.700 0.167 0.000 0.750 496 E HN 0.459 nan 8.360 nan 0.000 0.477 497 D N -1.642 118.805 120.400 0.078 0.000 2.350 497 D HA 0.033 4.673 4.640 0.000 0.000 0.213 497 D C 0.937 177.251 176.300 0.023 0.000 1.031 497 D CA 1.290 55.320 54.000 0.050 0.000 0.861 497 D CB 0.555 41.384 40.800 0.048 0.000 0.926 497 D HN 0.360 nan 8.370 nan 0.000 0.520 498 T N -3.604 110.941 114.554 -0.014 0.000 2.986 498 T HA 0.208 4.558 4.350 0.000 0.000 0.264 498 T C 1.165 175.800 174.700 -0.107 0.000 0.964 498 T CA -0.127 61.947 62.100 -0.044 0.000 0.895 498 T CB 0.269 69.115 68.868 -0.037 0.000 1.163 498 T HN -0.070 nan 8.240 nan 0.000 0.517 499 L N 0.497 121.602 121.223 -0.197 0.000 2.758 499 L HA 0.485 4.825 4.340 0.000 0.000 0.234 499 L C 0.699 177.481 176.870 -0.146 0.000 1.049 499 L CA 0.311 54.990 54.840 -0.268 0.000 0.908 499 L CB 0.701 42.367 42.059 -0.656 0.000 1.362 499 L HN 0.043 nan 8.230 nan 0.000 0.499 500 V N 3.137 123.010 119.914 -0.069 0.000 2.054 500 V HA 0.207 4.327 4.120 0.000 0.000 0.243 500 V C -0.351 175.749 176.094 0.010 0.000 1.480 500 V CA -0.028 62.299 62.300 0.045 0.000 1.440 500 V CB -1.967 29.956 31.823 0.168 0.000 1.489 500 V HN 0.638 nan 8.190 nan 0.000 0.502 501 N N 2.566 121.243 118.700 -0.038 0.000 3.243 501 N HA 0.567 5.307 4.740 0.000 0.000 0.280 501 N C -2.684 172.722 175.510 -0.174 0.000 1.545 501 N CA -1.428 51.576 53.050 -0.076 0.000 0.854 501 N CB 1.326 39.831 38.487 0.031 0.000 1.612 501 N HN -0.066 nan 8.380 nan 0.000 0.577 502 P HA 0.167 nan 4.420 nan 0.000 0.267 502 P C -0.008 177.081 177.300 -0.351 0.000 1.289 502 P CA 0.417 63.299 63.100 -0.363 0.000 0.866 502 P CB 0.042 31.499 31.700 -0.405 0.000 1.309 503 Y N -0.567 119.700 120.300 -0.054 0.000 2.420 503 Y HA -0.059 4.491 4.550 0.000 0.000 0.292 503 Y C 2.517 178.369 175.900 -0.080 0.000 1.119 503 Y CA 0.364 58.430 58.100 -0.058 0.000 1.229 503 Y CB -0.809 37.621 38.460 -0.050 0.000 1.026 503 Y HN -0.268 nan 8.280 nan 0.000 0.554 504 V N -0.165 119.770 119.914 0.035 0.000 2.427 504 V HA -0.273 3.847 4.120 0.000 0.000 0.248 504 V C 2.423 178.450 176.094 -0.111 0.000 1.051 504 V CA 1.694 63.969 62.300 -0.041 0.000 1.048 504 V CB -0.992 30.793 31.823 -0.063 0.000 0.666 504 V HN 0.462 nan 8.190 nan 0.000 0.456 505 A N -0.120 122.634 122.820 -0.109 0.000 1.929 505 A HA 0.015 4.335 4.320 0.000 0.000 0.216 505 A C 2.392 179.894 177.584 -0.136 0.000 1.176 505 A CA 1.717 53.676 52.037 -0.130 0.000 0.628 505 A CB -0.579 18.395 19.000 -0.044 0.000 0.816 505 A HN 0.525 nan 8.150 nan 0.000 0.444 506 A N 0.012 122.793 122.820 -0.066 0.000 1.898 506 A HA -0.139 4.181 4.320 0.000 0.000 0.216 506 A C 1.868 179.427 177.584 -0.042 0.000 1.181 506 A CA 1.568 53.591 52.037 -0.022 0.000 0.620 506 A CB -0.512 18.511 19.000 0.039 0.000 0.819 506 A HN 0.593 nan 8.150 nan 0.000 0.442 507 E N -0.773 119.399 120.200 -0.046 0.000 2.204 507 E HA -0.139 4.211 4.350 0.000 0.000 0.195 507 E C 2.201 178.724 176.600 -0.130 0.000 0.990 507 E CA 0.583 56.947 56.400 -0.060 0.000 0.821 507 E CB -0.048 29.626 29.700 -0.045 0.000 0.750 507 E HN 0.310 nan 8.360 nan 0.000 0.477 508 R N -0.834 119.511 120.500 -0.259 0.000 2.119 508 R HA 0.001 4.341 4.340 0.000 0.000 0.222 508 R C 1.463 177.562 176.300 -0.335 0.000 1.088 508 R CA 1.117 56.961 56.100 -0.426 0.000 0.984 508 R CB 0.345 30.068 30.300 -0.962 0.000 0.884 508 R HN 0.351 nan 8.270 nan 0.000 0.447 509 G N -0.599 108.063 108.800 -0.230 0.000 2.175 509 G HA2 -0.212 3.748 3.960 0.000 0.000 0.182 509 G HA3 -0.212 3.748 3.960 0.000 0.000 0.182 509 G C 0.303 175.293 174.900 0.150 0.000 1.003 509 G CA -0.109 44.978 45.100 -0.022 0.000 0.666 509 G HN 0.214 nan 8.290 nan 0.000 0.506 510 Y N -0.011 120.319 120.300 0.051 0.000 2.516 510 Y HA 0.405 4.955 4.550 0.000 0.000 0.291 510 Y C 1.479 177.420 175.900 0.069 0.000 1.131 510 Y CA -0.256 57.894 58.100 0.082 0.000 1.281 510 Y CB 0.157 38.691 38.460 0.124 0.000 1.013 510 Y HN 0.162 nan 8.280 nan 0.000 0.554 511 V N 1.251 121.268 119.914 0.171 0.000 2.407 511 V HA 0.157 4.277 4.120 0.000 0.000 0.291 511 V C 0.361 176.491 176.094 0.061 0.000 1.018 511 V CA -0.982 61.370 62.300 0.087 0.000 0.842 511 V CB 1.761 33.602 31.823 0.030 0.000 0.996 511 V HN 0.065 nan 8.190 nan 0.000 0.426 512 D N 3.599 124.035 120.400 0.060 0.000 2.218 512 D HA 0.079 4.719 4.640 0.000 0.000 0.204 512 D C 0.700 177.035 176.300 0.059 0.000 0.976 512 D CA 1.565 55.605 54.000 0.068 0.000 0.853 512 D CB 0.552 41.403 40.800 0.085 0.000 0.939 512 D HN 0.738 nan 8.370 nan 0.000 0.481 513 A N -0.605 122.224 122.820 0.015 0.000 2.596 513 A HA 0.322 4.642 4.320 0.000 0.000 0.305 513 A C -1.168 176.390 177.584 -0.043 0.000 1.032 513 A CA -0.677 51.368 52.037 0.014 0.000 0.776 513 A CB 0.829 19.867 19.000 0.064 0.000 1.253 513 A HN -0.136 nan 8.150 nan 0.000 0.402 514 V N 3.671 123.580 119.914 -0.009 0.000 2.356 514 V HA 0.411 4.531 4.120 0.000 0.000 0.258 514 V C 0.320 176.393 176.094 -0.034 0.000 1.065 514 V CA 0.412 62.689 62.300 -0.038 0.000 0.935 514 V CB -0.306 31.489 31.823 -0.047 0.000 1.061 514 V HN 0.795 nan 8.190 nan 0.000 0.484 515 I N 4.131 124.663 120.570 -0.064 0.000 2.648 515 I HA 0.752 4.922 4.170 0.000 0.000 0.304 515 I C -2.527 173.484 176.117 -0.176 0.000 1.009 515 I CA -2.888 58.343 61.300 -0.114 0.000 1.114 515 I CB 2.089 40.002 38.000 -0.146 0.000 1.293 515 I HN 0.279 nan 8.210 nan 0.000 0.449 516 P HA 0.234 nan 4.420 nan 0.000 0.271 516 P C -2.289 174.694 177.300 -0.528 0.000 1.216 516 P CA -1.423 61.392 63.100 -0.474 0.000 0.771 516 P CB 0.191 31.568 31.700 -0.539 0.000 0.864 517 P HA -0.258 nan 4.420 nan 0.000 0.217 517 P C 1.659 178.697 177.300 -0.437 0.000 1.158 517 P CA 2.205 64.468 63.100 -1.395 0.000 0.887 517 P CB -0.563 30.039 31.700 -1.831 0.000 0.792 518 S N -2.092 113.470 115.700 -0.230 0.000 2.440 518 S HA -0.225 4.245 4.470 0.000 0.000 0.238 518 S C 1.643 176.372 174.600 0.214 0.000 1.010 518 S CA 1.341 59.554 58.200 0.021 0.000 0.972 518 S CB -1.472 61.767 63.200 0.065 0.000 0.774 518 S HN 0.243 nan 8.310 nan 0.000 0.501 519 H N 1.390 120.464 119.070 0.006 0.000 2.512 519 H HA 0.225 4.781 4.556 0.000 0.000 0.279 519 H C 2.229 177.685 175.328 0.212 0.000 0.999 519 H CA 0.847 56.971 56.048 0.126 0.000 1.283 519 H CB -1.077 28.801 29.762 0.193 0.000 1.421 519 H HN 0.369 nan 8.280 nan 0.000 0.554 520 T N 0.712 115.462 114.554 0.327 0.000 2.594 520 T HA -0.313 4.037 4.350 0.000 0.000 0.266 520 T C 2.109 176.974 174.700 0.276 0.000 1.070 520 T CA 2.030 64.332 62.100 0.337 0.000 1.166 520 T CB -0.069 69.059 68.868 0.433 0.000 0.862 520 T HN 0.367 nan 8.240 nan 0.000 0.436 521 R N 0.372 120.999 120.500 0.212 0.000 2.103 521 R HA -0.139 4.201 4.340 0.000 0.000 0.234 521 R C 2.795 179.184 176.300 0.148 0.000 1.132 521 R CA 2.018 58.213 56.100 0.158 0.000 0.925 521 R CB -1.010 29.360 30.300 0.117 0.000 0.842 521 R HN 0.494 nan 8.270 nan 0.000 0.430 522 G N -0.834 108.041 108.800 0.124 0.000 2.450 522 G HA2 -0.300 3.660 3.960 0.000 0.000 0.220 522 G HA3 -0.300 3.660 3.960 0.000 0.000 0.220 522 G C 1.221 176.174 174.900 0.089 0.000 1.130 522 G CA 0.767 45.910 45.100 0.072 0.000 0.760 522 G HN 0.401 nan 8.290 nan 0.000 0.557 523 Y N 0.775 121.125 120.300 0.083 0.000 2.133 523 Y HA 0.029 4.579 4.550 0.000 0.000 0.287 523 Y C 2.774 178.723 175.900 0.082 0.000 1.134 523 Y CA 1.113 59.269 58.100 0.092 0.000 1.133 523 Y CB -0.153 38.386 38.460 0.132 0.000 0.987 523 Y HN 0.126 nan 8.280 nan 0.000 0.502 524 I N -0.733 120.012 120.570 0.291 0.000 2.194 524 I HA -0.345 3.825 4.170 0.000 0.000 0.246 524 I C 2.601 178.799 176.117 0.135 0.000 1.093 524 I CA 1.497 62.914 61.300 0.196 0.000 1.355 524 I CB -1.045 37.050 38.000 0.158 0.000 1.046 524 I HN 0.335 nan 8.210 nan 0.000 0.413 525 G N 0.302 109.168 108.800 0.110 0.000 2.459 525 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 525 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 525 G C 1.639 176.567 174.900 0.047 0.000 1.183 525 G CA 1.573 46.715 45.100 0.071 0.000 0.776 525 G HN 0.291 nan 8.290 nan 0.000 0.552 526 T N 1.666 116.232 114.554 0.019 0.000 2.684 526 T HA -0.028 4.322 4.350 0.000 0.000 0.267 526 T C 2.819 177.530 174.700 0.018 0.000 1.036 526 T CA 1.768 63.856 62.100 -0.019 0.000 1.148 526 T CB -0.479 68.318 68.868 -0.119 0.000 0.863 526 T HN 0.401 nan 8.240 nan 0.000 0.436 527 A N 1.299 124.159 122.820 0.067 0.000 1.883 527 A HA -0.035 4.285 4.320 0.000 0.000 0.217 527 A C 2.322 179.948 177.584 0.071 0.000 1.186 527 A CA 1.345 53.439 52.037 0.095 0.000 0.624 527 A CB -0.959 18.135 19.000 0.156 0.000 0.822 527 A HN 0.490 nan 8.150 nan 0.000 0.444 528 L N -1.229 120.037 121.223 0.073 0.000 2.079 528 L HA -0.221 4.119 4.340 0.000 0.000 0.210 528 L C 2.882 179.777 176.870 0.043 0.000 1.081 528 L CA 1.572 56.448 54.840 0.060 0.000 0.752 528 L CB -0.457 41.642 42.059 0.067 0.000 0.896 528 L HN 0.375 nan 8.230 nan 0.000 0.433 529 R N -0.566 119.956 120.500 0.035 0.000 2.090 529 R HA -0.126 4.214 4.340 0.000 0.000 0.228 529 R C 2.202 178.514 176.300 0.021 0.000 1.110 529 R CA 0.961 57.075 56.100 0.024 0.000 0.973 529 R CB -0.300 30.009 30.300 0.015 0.000 0.869 529 R HN 0.190 nan 8.270 nan 0.000 0.440 530 L N 0.639 121.876 121.223 0.024 0.000 2.056 530 L HA -0.066 4.274 4.340 0.000 0.000 0.207 530 L C 1.216 178.101 176.870 0.025 0.000 1.078 530 L CA 1.642 56.496 54.840 0.023 0.000 0.749 530 L CB -0.047 42.029 42.059 0.028 0.000 0.901 530 L HN 0.084 nan 8.230 nan 0.000 0.433 531 L N 0.211 121.453 121.223 0.031 0.000 2.715 531 L HA 0.087 4.427 4.340 0.000 0.000 0.238 531 L C 1.842 178.725 176.870 0.021 0.000 1.212 531 L CA 0.608 55.464 54.840 0.027 0.000 1.017 531 L CB -1.260 40.818 42.059 0.032 0.000 1.269 531 L HN 0.509 nan 8.230 nan 0.000 0.452 532 E N 1.572 121.784 120.200 0.020 0.000 2.001 532 E HA -0.166 4.184 4.350 0.000 0.000 0.195 532 E C 1.235 177.842 176.600 0.012 0.000 1.002 532 E CA 0.965 57.375 56.400 0.017 0.000 0.819 532 E CB 0.229 29.939 29.700 0.016 0.000 0.769 532 E HN 0.309 nan 8.360 nan 0.000 0.454 533 R N 1.855 122.361 120.500 0.009 0.000 4.031 533 R HA 0.163 4.503 4.340 0.000 0.000 0.269 533 R C -0.445 175.857 176.300 0.004 0.000 1.668 533 R CA -0.122 55.981 56.100 0.006 0.000 1.432 533 R CB -0.651 29.652 30.300 0.005 0.000 1.374 533 R HN -0.006 nan 8.270 nan 0.000 0.681 534 K N 1.593 121.995 120.400 0.003 0.000 2.484 534 K HA 0.037 4.357 4.320 0.000 0.000 0.280 534 K C -0.536 176.060 176.600 -0.005 0.000 1.013 534 K CA -0.057 56.230 56.287 -0.000 0.000 1.029 534 K CB 0.520 33.018 32.500 -0.003 0.000 0.902 534 K HN 0.198 nan 8.250 nan 0.000 0.481 535 I N 3.583 124.150 120.570 -0.005 0.000 2.330 535 I HA 0.370 4.540 4.170 0.000 0.000 0.289 535 I C -0.359 175.750 176.117 -0.012 0.000 1.001 535 I CA -0.239 61.057 61.300 -0.008 0.000 1.193 535 I CB 0.781 38.779 38.000 -0.004 0.000 1.345 535 I HN 0.761 nan 8.210 nan 0.000 0.461 536 A N 7.202 130.012 122.820 -0.018 0.000 2.532 536 A HA 0.626 4.946 4.320 0.000 0.000 0.296 536 A C -0.839 176.729 177.584 -0.028 0.000 1.058 536 A CA -0.711 51.312 52.037 -0.025 0.000 0.729 536 A CB 1.551 20.530 19.000 -0.033 0.000 1.285 536 A HN 0.680 nan 8.150 nan 0.000 0.396 537 Q N 1.133 120.917 119.800 -0.027 0.000 2.297 537 Q HA 0.870 5.210 4.340 0.000 0.000 0.268 537 Q C -1.279 174.702 176.000 -0.033 0.000 1.045 537 Q CA -0.917 54.870 55.803 -0.027 0.000 0.861 537 Q CB 1.938 30.665 28.738 -0.020 0.000 1.344 537 Q HN 0.593 nan 8.270 nan 0.000 0.452 538 L N 1.747 122.950 121.223 -0.033 0.000 2.325 538 L HA 0.560 4.900 4.340 0.000 0.000 0.278 538 L C -2.385 174.468 176.870 -0.028 0.000 1.023 538 L CA -1.944 52.873 54.840 -0.038 0.000 0.811 538 L CB 1.077 43.111 42.059 -0.041 0.000 1.249 538 L HN 0.631 nan 8.230 nan 0.000 0.431 539 P HA 0.029 nan 4.420 nan 0.000 0.263 539 P C -2.485 174.804 177.300 -0.018 0.000 1.168 539 P CA -0.433 62.654 63.100 -0.022 0.000 0.759 539 P CB -0.405 31.282 31.700 -0.022 0.000 0.782 540 P HA 0.061 nan 4.420 nan 0.000 0.266 540 P C -0.526 176.759 177.300 -0.024 0.000 1.215 540 P CA 0.423 63.513 63.100 -0.017 0.000 0.763 540 P CB 0.395 32.086 31.700 -0.015 0.000 0.806 541 K N 1.282 121.666 120.400 -0.028 0.000 2.736 541 K HA 0.257 4.577 4.320 0.000 0.000 0.290 541 K C 0.073 176.639 176.600 -0.057 0.000 1.033 541 K CA -1.058 55.198 56.287 -0.051 0.000 0.852 541 K CB 0.699 33.165 32.500 -0.056 0.000 1.494 541 K HN -0.109 nan 8.250 nan 0.000 0.378 542 K N -0.100 120.228 120.400 -0.120 0.000 2.057 542 K HA -0.090 4.230 4.320 0.000 0.000 0.206 542 K C 0.040 176.620 176.600 -0.033 0.000 1.050 542 K CA 2.185 58.407 56.287 -0.108 0.000 0.935 542 K CB -0.272 32.110 32.500 -0.198 0.000 0.715 542 K HN 0.804 nan 8.250 nan 0.000 0.439 543 H N -4.523 114.559 119.070 0.019 0.000 2.894 543 H HA 0.364 4.920 4.556 0.000 0.000 0.282 543 H C -0.287 175.075 175.328 0.057 0.000 1.448 543 H CA -0.692 55.375 56.048 0.032 0.000 1.158 543 H CB 0.199 29.972 29.762 0.018 0.000 1.818 543 H HN 0.029 nan 8.280 nan 0.000 0.493 544 G N -0.946 108.041 108.800 0.312 0.000 2.543 544 G HA2 0.324 4.284 3.960 0.000 0.000 0.290 544 G HA3 0.324 4.284 3.960 0.000 0.000 0.290 544 G C -0.409 174.641 174.900 0.250 0.000 1.310 544 G CA -0.445 44.837 45.100 0.302 0.000 1.025 544 G HN 0.768 nan 8.290 nan 0.000 0.502 545 N N -1.017 117.765 118.700 0.136 0.000 2.571 545 N HA 0.121 4.861 4.740 0.000 0.000 0.298 545 N C -0.187 175.242 175.510 -0.135 0.000 1.671 545 N CA -0.462 52.608 53.050 0.032 0.000 0.900 545 N CB 0.667 39.191 38.487 0.061 0.000 1.365 545 N HN 0.310 nan 8.380 nan 0.000 0.493 546 V N 1.599 121.231 119.914 -0.469 0.000 2.814 546 V HA 0.133 4.253 4.120 0.000 0.000 0.307 546 V C -1.874 174.037 176.094 -0.305 0.000 1.089 546 V CA -0.798 61.059 62.300 -0.738 0.000 1.212 546 V CB 0.355 31.455 31.823 -1.204 0.000 0.912 546 V HN 0.348 nan 8.190 nan 0.000 0.497 547 P HA 0.200 nan 4.420 nan 0.000 0.264 547 P C -0.814 176.432 177.300 -0.090 0.000 1.193 547 P CA -0.066 62.977 63.100 -0.094 0.000 0.763 547 P CB 0.485 32.156 31.700 -0.048 0.000 0.810 548 L N 0.000 121.185 121.223 -0.063 0.000 2.949 548 L HA 0.000 4.340 4.340 0.000 0.000 0.249 548 L CA 0.000 54.811 54.840 -0.049 0.000 0.813 548 L CB 0.000 42.027 42.059 -0.054 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502