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 3grl_1_A DATA FIRST_RESID 18 DATA SEQUENCE TEAETIQKLC DRVASSTLLD DRRNAVRALK SLSKKYRLEV GIQAMEHLIH DATA SEQUENCE VLQTDRSDSE IIGYALDTLY NIISNDXXXX XXXXXXXXXX DLGSQFTEIF DATA SEQUENCE IKQQENVTLL LSLLEEFDFH VRWPGVKLLT SLLKQLGPQV QQIILVSPMG DATA SEQUENCE VSRLMDLLAD SREVIRNDGV LLLQALTRSN GAIQKIVAFE NAFERLLDII DATA SEQUENCE TEEGNSDGGI VVEDCLILLQ NLLKNNNSNQ NFFKEGSYIQ RMKPWFEVGD DATA SEQUENCE ENSGWSAQKV TNLHLMLQLV RVLVSPNNPP GATSSCQKAM FQCGLLQQLC DATA SEQUENCE TILMATGVPA DILTETINTV SEVIRGCQVN QDYFASVNAP SNPPRPAIVV DATA SEQUENCE LLMSMVNERQ PFVLRCAVLY CFQCFLYKNQ KGQGEIVSTL LPSTIDATGN DATA SEQUENCE TVSAGQLLCG GLFSTDSLSN WCAAVALAHA LQENATQKEQ LLRVQLATSI DATA SEQUENCE GNPPVSLLQQ CTNILSQGSK IQTRVGLLML LCTWLSNCPI AVTHFLHNSA DATA SEQUENCE NVPFLTGQIA ENLGEEEQLV QGLCALLLGI SIYFNDNSLE TYMKEKLKQL DATA SEQUENCE IEKRIGKENF IEKLGFISKH ELYSRASQKP QPNFPSPEYM IFDHEFTKLV DATA SEQUENCE KELEGVITKA IYKSS 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 18 T HA 0.000 nan 4.350 nan 0.000 0.228 18 T C 0.000 174.702 174.700 0.003 0.000 1.109 18 T CA 0.000 62.106 62.100 0.010 0.000 1.349 18 T CB 0.000 68.874 68.868 0.011 0.000 0.612 19 E N 1.397 121.603 120.200 0.011 0.000 2.112 19 E HA -0.017 4.327 4.350 -0.009 0.000 0.190 19 E C 2.378 178.978 176.600 0.001 0.000 0.979 19 E CA 1.102 57.499 56.400 -0.005 0.000 0.814 19 E CB -0.129 29.580 29.700 0.014 0.000 0.762 19 E HN 0.743 nan 8.360 nan 0.000 0.460 20 A N 1.556 124.388 122.820 0.020 0.000 1.917 20 A HA -0.256 4.059 4.320 -0.009 0.000 0.219 20 A C 2.031 179.623 177.584 0.014 0.000 1.182 20 A CA 1.882 53.934 52.037 0.024 0.000 0.633 20 A CB -0.379 18.639 19.000 0.030 0.000 0.819 20 A HN 0.083 nan 8.150 nan 0.000 0.448 21 E N -0.937 119.267 120.200 0.007 0.000 2.046 21 E HA -0.091 4.253 4.350 -0.009 0.000 0.190 21 E C 2.408 179.002 176.600 -0.010 0.000 0.982 21 E CA 1.775 58.176 56.400 0.001 0.000 0.800 21 E CB -0.699 29.001 29.700 -0.000 0.000 0.756 21 E HN 0.759 nan 8.360 nan 0.000 0.449 22 T N -0.605 113.938 114.554 -0.020 0.000 2.746 22 T HA -0.121 4.224 4.350 -0.009 0.000 0.267 22 T C 1.968 176.645 174.700 -0.039 0.000 1.039 22 T CA 1.206 63.286 62.100 -0.034 0.000 1.142 22 T CB -0.370 68.469 68.868 -0.049 0.000 0.866 22 T HN 0.107 nan 8.240 nan 0.000 0.444 23 I N 0.687 121.236 120.570 -0.034 0.000 2.394 23 I HA -0.103 4.062 4.170 -0.009 0.000 0.251 23 I C 3.094 179.204 176.117 -0.011 0.000 1.136 23 I CA 0.932 62.215 61.300 -0.028 0.000 1.425 23 I CB -0.378 37.613 38.000 -0.015 0.000 1.079 23 I HN 0.279 nan 8.210 nan 0.000 0.425 24 Q N 0.801 120.600 119.800 -0.001 0.000 2.170 24 Q HA -0.177 4.158 4.340 -0.009 0.000 0.203 24 Q C 2.150 178.137 176.000 -0.022 0.000 0.976 24 Q CA 1.213 57.020 55.803 0.006 0.000 0.858 24 Q CB -0.051 28.695 28.738 0.014 0.000 0.907 24 Q HN 0.435 nan 8.270 nan 0.000 0.433 25 K N 0.367 120.749 120.400 -0.030 0.000 2.062 25 K HA 0.003 4.317 4.320 -0.009 0.000 0.205 25 K C 2.273 178.838 176.600 -0.058 0.000 1.051 25 K CA 0.440 56.702 56.287 -0.041 0.000 0.941 25 K CB -0.247 32.232 32.500 -0.035 0.000 0.719 25 K HN 0.233 nan 8.250 nan 0.000 0.440 26 L N 0.421 121.610 121.223 -0.057 0.000 2.046 26 L HA -0.238 4.096 4.340 -0.009 0.000 0.208 26 L C 2.718 179.531 176.870 -0.095 0.000 1.077 26 L CA 0.983 55.784 54.840 -0.066 0.000 0.747 26 L CB -0.615 41.409 42.059 -0.058 0.000 0.896 26 L HN 0.173 nan 8.230 nan 0.000 0.432 27 C N 0.255 119.496 119.300 -0.099 0.000 2.398 27 C HA -0.203 4.251 4.460 -0.009 0.000 0.276 27 C C 2.415 177.145 174.990 -0.432 0.000 1.222 27 C CA 1.117 60.005 59.018 -0.217 0.000 1.746 27 C CB -0.801 26.914 27.740 -0.042 0.000 2.039 27 C HN 0.569 nan 8.230 nan 0.000 0.470 28 D N -0.254 120.004 120.400 -0.237 0.000 2.183 28 D HA -0.061 4.574 4.640 -0.009 0.000 0.203 28 D C 2.382 178.594 176.300 -0.147 0.000 0.969 28 D CA 0.778 54.661 54.000 -0.194 0.000 0.842 28 D CB -0.420 40.326 40.800 -0.091 0.000 0.957 28 D HN 0.467 nan 8.370 nan 0.000 0.484 29 R N 0.354 120.786 120.500 -0.113 0.000 2.082 29 R HA -0.090 4.245 4.340 -0.009 0.000 0.234 29 R C 2.323 178.576 176.300 -0.079 0.000 1.136 29 R CA 0.922 56.976 56.100 -0.077 0.000 0.935 29 R CB -0.624 29.640 30.300 -0.060 0.000 0.842 29 R HN 0.061 nan 8.270 nan 0.000 0.430 30 V N 0.969 120.822 119.914 -0.102 0.000 2.317 30 V HA -0.323 3.792 4.120 -0.009 0.000 0.251 30 V C 2.377 178.435 176.094 -0.060 0.000 1.065 30 V CA 2.170 64.428 62.300 -0.070 0.000 1.049 30 V CB -0.731 31.051 31.823 -0.069 0.000 0.651 30 V HN 0.491 nan 8.190 nan 0.000 0.450 31 A N 0.022 122.739 122.820 -0.173 0.000 1.874 31 A HA -0.119 4.195 4.320 -0.009 0.000 0.214 31 A C 2.475 180.046 177.584 -0.022 0.000 1.189 31 A CA 1.964 53.942 52.037 -0.098 0.000 0.615 31 A CB -0.509 18.340 19.000 -0.252 0.000 0.830 31 A HN 0.661 nan 8.150 nan 0.000 0.443 32 S N -1.212 114.459 115.700 -0.048 0.000 2.475 32 S HA 0.104 4.568 4.470 -0.009 0.000 0.224 32 S C 1.157 175.753 174.600 -0.007 0.000 1.042 32 S CA 0.699 58.888 58.200 -0.019 0.000 0.935 32 S CB -0.752 62.431 63.200 -0.028 0.000 0.801 32 S HN 0.426 nan 8.310 nan 0.000 0.509 33 S N 2.304 117.995 115.700 -0.015 0.000 2.563 33 S HA 0.147 4.611 4.470 -0.009 0.000 0.294 33 S C 1.367 175.971 174.600 0.006 0.000 1.279 33 S CA 0.517 58.712 58.200 -0.007 0.000 1.069 33 S CB 0.614 63.806 63.200 -0.013 0.000 0.828 33 S HN 0.684 nan 8.310 nan 0.000 0.497 34 T N 3.762 118.320 114.554 0.007 0.000 3.044 34 T HA 0.210 4.555 4.350 -0.009 0.000 0.255 34 T C 0.487 175.195 174.700 0.013 0.000 1.073 34 T CA -0.042 62.065 62.100 0.012 0.000 1.125 34 T CB -0.082 68.792 68.868 0.010 0.000 0.908 34 T HN 0.353 nan 8.240 nan 0.000 0.480 35 L N 2.459 123.688 121.223 0.011 0.000 2.326 35 L HA 0.412 4.746 4.340 -0.009 0.000 0.278 35 L C 1.239 178.119 176.870 0.016 0.000 1.092 35 L CA -0.676 54.171 54.840 0.012 0.000 0.810 35 L CB 1.128 43.193 42.059 0.010 0.000 1.153 35 L HN 0.112 nan 8.230 nan 0.000 0.439 36 L N 2.428 123.663 121.223 0.019 0.000 2.013 36 L HA -0.212 4.122 4.340 -0.009 0.000 0.212 36 L C 1.774 178.662 176.870 0.030 0.000 1.073 36 L CA 1.830 56.685 54.840 0.026 0.000 0.753 36 L CB -0.535 41.539 42.059 0.026 0.000 0.890 36 L HN 0.715 nan 8.230 nan 0.000 0.432 37 D N -0.240 120.176 120.400 0.026 0.000 2.133 37 D HA -0.200 4.434 4.640 -0.009 0.000 0.195 37 D C 1.771 178.082 176.300 0.020 0.000 0.997 37 D CA 1.639 55.655 54.000 0.027 0.000 0.840 37 D CB -0.211 40.602 40.800 0.021 0.000 0.947 37 D HN 0.487 nan 8.370 nan 0.000 0.452 38 D N 0.492 120.899 120.400 0.012 0.000 2.084 38 D HA -0.067 4.567 4.640 -0.009 0.000 0.196 38 D C 2.210 178.510 176.300 0.001 0.000 0.985 38 D CA 0.538 54.539 54.000 0.001 0.000 0.826 38 D CB -0.263 40.535 40.800 -0.003 0.000 0.978 38 D HN 0.175 nan 8.370 nan 0.000 0.456 39 R N 0.559 121.065 120.500 0.009 0.000 2.119 39 R HA -0.162 4.173 4.340 -0.009 0.000 0.246 39 R C 2.407 178.722 176.300 0.026 0.000 1.146 39 R CA 1.210 57.319 56.100 0.015 0.000 0.962 39 R CB -0.238 30.079 30.300 0.027 0.000 0.863 39 R HN 0.158 nan 8.270 nan 0.000 0.442 40 R N 0.811 121.337 120.500 0.043 0.000 2.066 40 R HA -0.108 4.226 4.340 -0.009 0.000 0.232 40 R C 1.689 177.998 176.300 0.015 0.000 1.131 40 R CA 1.894 58.041 56.100 0.077 0.000 0.955 40 R CB -0.156 30.213 30.300 0.115 0.000 0.851 40 R HN 0.194 nan 8.270 nan 0.000 0.432 41 N N 0.371 119.064 118.700 -0.012 0.000 2.205 41 N HA -0.144 4.591 4.740 -0.009 0.000 0.186 41 N C 1.482 176.944 175.510 -0.080 0.000 1.015 41 N CA 1.472 54.486 53.050 -0.061 0.000 0.862 41 N CB -0.153 38.310 38.487 -0.039 0.000 0.986 41 N HN 0.317 nan 8.380 nan 0.000 0.429 42 A N 0.159 122.948 122.820 -0.051 0.000 1.855 42 A HA -0.058 4.257 4.320 -0.009 0.000 0.215 42 A C 2.318 179.867 177.584 -0.058 0.000 1.191 42 A CA 1.188 53.193 52.037 -0.053 0.000 0.613 42 A CB -0.817 18.159 19.000 -0.039 0.000 0.829 42 A HN 0.091 nan 8.150 nan 0.000 0.442 43 V N 0.311 120.206 119.914 -0.032 0.000 2.343 43 V HA -0.270 3.844 4.120 -0.009 0.000 0.247 43 V C 2.645 178.678 176.094 -0.100 0.000 1.051 43 V CA 2.289 64.582 62.300 -0.011 0.000 1.036 43 V CB -0.883 30.984 31.823 0.075 0.000 0.654 43 V HN 0.657 nan 8.190 nan 0.000 0.451 44 R N 0.216 120.564 120.500 -0.254 0.000 2.105 44 R HA -0.192 4.142 4.340 -0.009 0.000 0.239 44 R C 2.191 178.331 176.300 -0.266 0.000 1.135 44 R CA 1.790 57.588 56.100 -0.502 0.000 0.967 44 R CB -0.336 29.572 30.300 -0.653 0.000 0.861 44 R HN 0.513 nan 8.270 nan 0.000 0.442 45 A N 0.464 123.182 122.820 -0.171 0.000 1.930 45 A HA -0.059 4.256 4.320 -0.009 0.000 0.215 45 A C 1.912 179.438 177.584 -0.097 0.000 1.176 45 A CA 0.510 52.473 52.037 -0.122 0.000 0.632 45 A CB -0.310 18.629 19.000 -0.102 0.000 0.819 45 A HN 0.294 nan 8.150 nan 0.000 0.445 46 L N 0.215 121.390 121.223 -0.080 0.000 2.191 46 L HA -0.111 4.224 4.340 -0.009 0.000 0.212 46 L C 2.248 179.095 176.870 -0.039 0.000 1.103 46 L CA 2.069 56.877 54.840 -0.053 0.000 0.769 46 L CB -0.615 41.427 42.059 -0.028 0.000 0.908 46 L HN 0.500 nan 8.230 nan 0.000 0.438 47 K N -1.012 119.361 120.400 -0.045 0.000 2.026 47 K HA -0.161 4.154 4.320 -0.009 0.000 0.208 47 K C 2.063 178.657 176.600 -0.010 0.000 1.048 47 K CA 1.627 57.903 56.287 -0.018 0.000 0.929 47 K CB -0.009 32.472 32.500 -0.031 0.000 0.713 47 K HN 0.345 nan 8.250 nan 0.000 0.439 48 S N 1.506 117.183 115.700 -0.038 0.000 2.374 48 S HA -0.164 4.300 4.470 -0.009 0.000 0.227 48 S C 1.746 176.353 174.600 0.013 0.000 1.037 48 S CA 1.402 59.591 58.200 -0.018 0.000 1.024 48 S CB -0.311 62.857 63.200 -0.053 0.000 0.861 48 S HN 0.323 nan 8.310 nan 0.000 0.456 49 L N 1.901 123.105 121.223 -0.031 0.000 2.591 49 L HA 0.085 4.420 4.340 -0.009 0.000 0.228 49 L C 2.464 179.383 176.870 0.082 0.000 1.133 49 L CA 0.567 55.392 54.840 -0.025 0.000 0.880 49 L CB -0.693 41.281 42.059 -0.143 0.000 1.033 49 L HN 0.432 nan 8.230 nan 0.000 0.450 50 S N -0.494 115.235 115.700 0.048 0.000 2.348 50 S HA -0.130 4.335 4.470 -0.009 0.000 0.219 50 S C 1.124 175.754 174.600 0.050 0.000 1.033 50 S CA 0.278 58.493 58.200 0.026 0.000 0.974 50 S CB -0.064 63.133 63.200 -0.005 0.000 0.868 50 S HN 0.275 nan 8.310 nan 0.000 0.459 51 K N 1.521 121.960 120.400 0.065 0.000 2.298 51 K HA 0.193 4.508 4.320 -0.009 0.000 0.280 51 K C -0.120 176.552 176.600 0.119 0.000 1.032 51 K CA -0.026 56.300 56.287 0.065 0.000 0.958 51 K CB 0.213 32.751 32.500 0.062 0.000 0.978 51 K HN 0.337 nan 8.250 nan 0.000 0.472 52 K N 1.877 122.299 120.400 0.037 0.000 3.606 52 K HA -0.262 4.053 4.320 -0.009 0.000 0.289 52 K C -0.176 176.240 176.600 -0.308 0.000 1.221 52 K CA 1.874 58.102 56.287 -0.099 0.000 1.028 52 K CB -1.059 31.411 32.500 -0.049 0.000 1.299 52 K HN 0.672 nan 8.250 nan 0.000 0.454 53 Y N 0.231 120.531 120.300 -0.001 0.000 2.791 53 Y HA 0.124 4.669 4.550 -0.009 0.000 0.263 53 Y C 0.391 176.295 175.900 0.008 0.000 1.089 53 Y CA -0.791 57.312 58.100 0.004 0.000 1.253 53 Y CB 0.611 39.071 38.460 0.001 0.000 1.360 53 Y HN 0.062 nan 8.280 nan 0.000 0.569 54 R N 1.364 121.927 120.500 0.106 0.000 2.640 54 R HA 0.223 4.558 4.340 -0.009 0.000 0.270 54 R C 0.239 176.620 176.300 0.136 0.000 1.024 54 R CA 0.469 56.605 56.100 0.059 0.000 1.085 54 R CB 0.830 31.120 30.300 -0.017 0.000 0.963 54 R HN 0.264 nan 8.270 nan 0.000 0.426 55 L N -0.377 120.950 121.223 0.172 0.000 1.317 55 L HA -0.165 4.170 4.340 -0.009 0.000 0.202 55 L C 1.391 178.407 176.870 0.243 0.000 1.481 55 L CA 1.470 56.505 54.840 0.326 0.000 1.461 55 L CB -1.635 40.542 42.059 0.198 0.000 2.068 55 L HN 0.909 nan 8.230 nan 0.000 0.471 56 E N 0.811 121.095 120.200 0.141 0.000 2.047 56 E HA -0.076 4.268 4.350 -0.009 0.000 0.191 56 E C 1.799 178.440 176.600 0.069 0.000 0.987 56 E CA 2.046 58.507 56.400 0.102 0.000 0.799 56 E CB 0.203 29.950 29.700 0.078 0.000 0.752 56 E HN 0.430 nan 8.360 nan 0.000 0.449 57 V N 0.832 120.766 119.914 0.033 0.000 2.282 57 V HA -0.258 3.856 4.120 -0.009 0.000 0.249 57 V C 2.558 178.600 176.094 -0.087 0.000 1.057 57 V CA 2.045 64.332 62.300 -0.020 0.000 1.032 57 V CB -1.269 30.528 31.823 -0.044 0.000 0.645 57 V HN 0.383 nan 8.190 nan 0.000 0.447 58 G N 0.727 109.401 108.800 -0.210 0.000 2.421 58 G HA2 -0.223 3.732 3.960 -0.009 0.000 0.216 58 G HA3 -0.223 3.732 3.960 -0.009 0.000 0.216 58 G C 1.499 176.429 174.900 0.050 0.000 1.171 58 G CA 1.193 46.024 45.100 -0.448 0.000 0.775 58 G HN 0.650 nan 8.290 nan 0.000 0.543 59 I N -2.791 117.903 120.570 0.206 0.000 3.059 59 I HA 0.209 4.374 4.170 -0.009 0.000 0.270 59 I C 1.964 178.135 176.117 0.090 0.000 1.238 59 I CA 1.069 62.480 61.300 0.186 0.000 1.478 59 I CB 0.035 38.142 38.000 0.177 0.000 1.097 59 I HN 0.188 nan 8.210 nan 0.000 0.455 60 Q N 0.856 120.699 119.800 0.071 0.000 2.471 60 Q HA 0.361 4.695 4.340 -0.009 0.000 0.259 60 Q C 2.244 178.302 176.000 0.095 0.000 0.850 60 Q CA 0.749 56.592 55.803 0.066 0.000 0.981 60 Q CB 0.590 29.373 28.738 0.075 0.000 1.180 60 Q HN 0.554 nan 8.270 nan 0.000 0.571 61 A N 0.541 123.410 122.820 0.082 0.000 2.072 61 A HA -0.037 4.278 4.320 -0.009 0.000 0.216 61 A C 1.878 179.511 177.584 0.080 0.000 1.156 61 A CA 0.557 52.662 52.037 0.115 0.000 0.701 61 A CB -0.296 18.738 19.000 0.058 0.000 0.816 61 A HN 0.341 nan 8.150 nan 0.000 0.458 62 M N -0.785 118.828 119.600 0.022 0.000 2.086 62 M HA -0.149 4.325 4.480 -0.009 0.000 0.261 62 M C 1.884 178.200 176.300 0.027 0.000 1.067 62 M CA 1.666 56.984 55.300 0.029 0.000 1.116 62 M CB -0.106 32.514 32.600 0.033 0.000 1.348 62 M HN 0.295 nan 8.290 nan 0.000 0.407 63 E N -0.572 119.592 120.200 -0.059 0.000 2.268 63 E HA -0.181 4.164 4.350 -0.009 0.000 0.195 63 E C 1.824 178.363 176.600 -0.101 0.000 0.995 63 E CA 1.016 57.344 56.400 -0.121 0.000 0.836 63 E CB -0.255 29.318 29.700 -0.212 0.000 0.763 63 E HN 0.628 nan 8.360 nan 0.000 0.491 64 H N -0.057 119.042 119.070 0.049 0.000 2.372 64 H HA 0.050 4.599 4.556 -0.010 0.000 0.301 64 H C 2.390 177.780 175.328 0.103 0.000 1.065 64 H CA 0.594 56.687 56.048 0.075 0.000 1.364 64 H CB -0.179 29.609 29.762 0.044 0.000 1.406 64 H HN 0.121 nan 8.280 nan 0.000 0.521 65 L N 0.361 121.703 121.223 0.198 0.000 2.012 65 L HA -0.192 4.143 4.340 -0.009 0.000 0.210 65 L C 2.558 179.509 176.870 0.135 0.000 1.073 65 L CA 1.131 56.057 54.840 0.144 0.000 0.748 65 L CB -0.491 41.635 42.059 0.113 0.000 0.891 65 L HN 0.154 nan 8.230 nan 0.000 0.431 66 I N -1.186 119.460 120.570 0.126 0.000 2.208 66 I HA -0.374 3.791 4.170 -0.009 0.000 0.245 66 I C 2.660 178.837 176.117 0.101 0.000 1.097 66 I CA 1.412 62.769 61.300 0.095 0.000 1.363 66 I CB -0.578 37.430 38.000 0.015 0.000 1.051 66 I HN 0.361 nan 8.210 nan 0.000 0.413 67 H N 0.532 119.623 119.070 0.035 0.000 2.422 67 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 67 H C 2.275 177.633 175.328 0.051 0.000 1.098 67 H CA 1.642 57.715 56.048 0.042 0.000 1.315 67 H CB 0.321 30.126 29.762 0.071 0.000 1.382 67 H HN 0.144 nan 8.280 nan 0.000 0.523 68 V N 1.264 121.211 119.914 0.056 0.000 2.515 68 V HA -0.245 3.869 4.120 -0.009 0.000 0.250 68 V C 2.756 178.837 176.094 -0.022 0.000 1.058 68 V CA 1.187 63.489 62.300 0.004 0.000 1.064 68 V CB -0.422 31.442 31.823 0.067 0.000 0.675 68 V HN 0.373 nan 8.190 nan 0.000 0.461 69 L N -0.726 120.499 121.223 0.004 0.000 2.109 69 L HA -0.173 4.162 4.340 -0.009 0.000 0.207 69 L C 2.584 179.435 176.870 -0.031 0.000 1.086 69 L CA 1.423 56.265 54.840 0.004 0.000 0.760 69 L CB -0.537 41.547 42.059 0.042 0.000 0.910 69 L HN 0.359 nan 8.230 nan 0.000 0.437 70 Q N -0.493 119.266 119.800 -0.068 0.000 2.137 70 Q HA -0.054 4.281 4.340 -0.009 0.000 0.198 70 Q C 1.085 177.011 176.000 -0.123 0.000 0.960 70 Q CA 1.452 57.204 55.803 -0.086 0.000 0.847 70 Q CB 0.053 28.740 28.738 -0.084 0.000 0.915 70 Q HN 0.594 nan 8.270 nan 0.000 0.448 71 T N -2.851 111.578 114.554 -0.208 0.000 2.889 71 T HA 0.208 4.553 4.350 -0.009 0.000 0.278 71 T C -0.002 174.636 174.700 -0.103 0.000 0.995 71 T CA -0.558 61.438 62.100 -0.174 0.000 0.966 71 T CB 1.070 69.768 68.868 -0.283 0.000 1.237 71 T HN 0.080 nan 8.240 nan 0.000 0.591 72 D N -0.614 119.748 120.400 -0.063 0.000 3.039 72 D HA -0.160 4.475 4.640 -0.009 0.000 0.222 72 D C 1.129 177.421 176.300 -0.013 0.000 1.179 72 D CA 0.713 54.697 54.000 -0.026 0.000 0.880 72 D CB -0.675 40.116 40.800 -0.014 0.000 1.115 72 D HN 0.637 nan 8.370 nan 0.000 0.416 73 R N 0.041 120.530 120.500 -0.018 0.000 2.280 73 R HA -0.037 4.297 4.340 -0.009 0.000 0.207 73 R C 2.267 178.568 176.300 0.001 0.000 1.043 73 R CA 1.284 57.379 56.100 -0.008 0.000 1.006 73 R CB -0.072 30.222 30.300 -0.011 0.000 0.885 73 R HN 0.317 nan 8.270 nan 0.000 0.467 74 S N -0.194 115.507 115.700 0.002 0.000 2.481 74 S HA -0.099 4.366 4.470 -0.009 0.000 0.231 74 S C 0.423 175.031 174.600 0.013 0.000 0.996 74 S CA 0.438 58.643 58.200 0.008 0.000 0.942 74 S CB 0.097 63.301 63.200 0.008 0.000 0.768 74 S HN 0.134 nan 8.310 nan 0.000 0.520 75 D N 0.596 121.003 120.400 0.013 0.000 2.460 75 D HA 0.510 5.145 4.640 -0.009 0.000 0.232 75 D C 0.597 176.903 176.300 0.011 0.000 1.079 75 D CA -0.235 53.776 54.000 0.018 0.000 0.864 75 D CB 1.297 42.113 40.800 0.026 0.000 1.048 75 D HN -0.027 nan 8.370 nan 0.000 0.523 76 S N 2.615 118.322 115.700 0.012 0.000 2.383 76 S HA -0.192 4.273 4.470 -0.009 0.000 0.229 76 S C 1.635 176.216 174.600 -0.031 0.000 1.030 76 S CA 0.850 59.054 58.200 0.006 0.000 1.002 76 S CB -0.033 63.184 63.200 0.028 0.000 0.829 76 S HN 0.633 nan 8.310 nan 0.000 0.467 77 E N 0.539 120.711 120.200 -0.046 0.000 2.031 77 E HA -0.104 4.241 4.350 -0.009 0.000 0.193 77 E C 2.078 178.526 176.600 -0.254 0.000 0.994 77 E CA 0.975 57.266 56.400 -0.183 0.000 0.800 77 E CB -0.178 29.481 29.700 -0.067 0.000 0.752 77 E HN 0.457 nan 8.360 nan 0.000 0.447 78 I N 0.780 121.346 120.570 -0.006 0.000 2.226 78 I HA -0.281 3.883 4.170 -0.009 0.000 0.245 78 I C 2.109 178.261 176.117 0.059 0.000 1.100 78 I CA 1.014 62.383 61.300 0.115 0.000 1.374 78 I CB 0.025 38.091 38.000 0.111 0.000 1.057 78 I HN 0.181 nan 8.210 nan 0.000 0.413 79 I N 0.550 121.123 120.570 0.006 0.000 2.226 79 I HA -0.238 3.927 4.170 -0.009 0.000 0.245 79 I C 2.604 178.711 176.117 -0.017 0.000 1.100 79 I CA 1.491 62.793 61.300 0.004 0.000 1.374 79 I CB -1.065 36.932 38.000 -0.005 0.000 1.057 79 I HN 0.324 nan 8.210 nan 0.000 0.413 80 G N 0.339 109.087 108.800 -0.086 0.000 2.491 80 G HA2 -0.291 3.664 3.960 -0.009 0.000 0.218 80 G HA3 -0.291 3.664 3.960 -0.009 0.000 0.218 80 G C 1.452 176.310 174.900 -0.070 0.000 1.180 80 G CA 0.983 46.009 45.100 -0.123 0.000 0.774 80 G HN 0.268 nan 8.290 nan 0.000 0.562 81 Y N 1.219 121.532 120.300 0.022 0.000 2.200 81 Y HA 0.147 4.692 4.550 -0.010 0.000 0.290 81 Y C 3.132 179.042 175.900 0.017 0.000 1.137 81 Y CA 0.207 58.316 58.100 0.015 0.000 1.163 81 Y CB -0.931 37.535 38.460 0.010 0.000 0.988 81 Y HN 0.271 nan 8.280 nan 0.000 0.518 82 A N 0.186 123.109 122.820 0.172 0.000 1.908 82 A HA -0.169 4.145 4.320 -0.009 0.000 0.218 82 A C 2.280 179.910 177.584 0.078 0.000 1.181 82 A CA 1.783 53.887 52.037 0.112 0.000 0.627 82 A CB -1.136 17.920 19.000 0.093 0.000 0.818 82 A HN 0.467 nan 8.150 nan 0.000 0.445 83 L N -0.689 120.563 121.223 0.048 0.000 2.109 83 L HA -0.137 4.197 4.340 -0.009 0.000 0.207 83 L C 2.010 178.887 176.870 0.012 0.000 1.086 83 L CA 1.154 55.997 54.840 0.006 0.000 0.760 83 L CB -0.581 41.452 42.059 -0.044 0.000 0.910 83 L HN 0.305 nan 8.230 nan 0.000 0.437 84 D N -0.444 119.982 120.400 0.044 0.000 2.144 84 D HA -0.144 4.491 4.640 -0.009 0.000 0.199 84 D C 2.141 178.507 176.300 0.110 0.000 0.984 84 D CA 1.721 55.768 54.000 0.079 0.000 0.834 84 D CB -0.119 40.761 40.800 0.134 0.000 0.955 84 D HN 0.286 nan 8.370 nan 0.000 0.465 85 T N 1.235 115.839 114.554 0.083 0.000 2.812 85 T HA -0.026 4.319 4.350 -0.009 0.000 0.264 85 T C 2.313 177.009 174.700 -0.006 0.000 1.042 85 T CA 0.406 62.531 62.100 0.042 0.000 1.140 85 T CB -0.203 68.689 68.868 0.040 0.000 0.870 85 T HN 0.091 nan 8.240 nan 0.000 0.445 86 L N -0.177 121.045 121.223 -0.001 0.000 2.017 86 L HA -0.104 4.230 4.340 -0.009 0.000 0.208 86 L C 2.395 179.205 176.870 -0.100 0.000 1.073 86 L CA 1.531 56.335 54.840 -0.060 0.000 0.745 86 L CB -0.651 41.381 42.059 -0.044 0.000 0.894 86 L HN 0.233 nan 8.230 nan 0.000 0.432 87 Y N 1.542 121.740 120.300 -0.170 0.000 2.102 87 Y HA -0.342 4.203 4.550 -0.009 0.000 0.280 87 Y C 2.480 178.297 175.900 -0.138 0.000 1.178 87 Y CA 1.969 59.961 58.100 -0.181 0.000 1.146 87 Y CB -0.379 37.966 38.460 -0.191 0.000 0.968 87 Y HN 0.242 nan 8.280 nan 0.000 0.504 88 N N 0.143 118.754 118.700 -0.149 0.000 2.223 88 N HA -0.152 4.583 4.740 -0.009 0.000 0.185 88 N C 1.680 177.054 175.510 -0.227 0.000 1.016 88 N CA 1.521 54.450 53.050 -0.203 0.000 0.863 88 N CB -0.358 38.099 38.487 -0.051 0.000 0.983 88 N HN 0.334 nan 8.380 nan 0.000 0.429 89 I N 1.041 121.465 120.570 -0.243 0.000 2.226 89 I HA -0.151 4.013 4.170 -0.009 0.000 0.245 89 I C 2.011 177.955 176.117 -0.289 0.000 1.100 89 I CA 0.714 61.780 61.300 -0.389 0.000 1.374 89 I CB -0.774 36.928 38.000 -0.497 0.000 1.057 89 I HN 0.069 nan 8.210 nan 0.000 0.413 90 I N -0.747 119.679 120.570 -0.240 0.000 2.494 90 I HA -0.015 4.150 4.170 -0.009 0.000 0.250 90 I C 1.410 177.426 176.117 -0.168 0.000 1.112 90 I CA 0.507 61.720 61.300 -0.144 0.000 1.438 90 I CB -0.697 37.176 38.000 -0.212 0.000 1.111 90 I HN 0.134 nan 8.210 nan 0.000 0.431 91 S N 1.534 117.015 115.700 -0.365 0.000 2.584 91 S HA 0.163 4.628 4.470 -0.009 0.000 0.273 91 S C 0.978 175.429 174.600 -0.248 0.000 1.311 91 S CA -0.412 57.547 58.200 -0.402 0.000 1.034 91 S CB 0.771 63.426 63.200 -0.908 0.000 0.939 91 S HN 0.202 nan 8.310 nan 0.000 0.513 92 N N 2.587 121.195 118.700 -0.153 0.000 2.412 92 N HA 0.201 4.936 4.740 -0.009 0.000 0.184 92 N C -0.479 174.985 175.510 -0.077 0.000 1.101 92 N CA 0.389 53.387 53.050 -0.087 0.000 0.881 92 N CB 0.032 38.489 38.487 -0.050 0.000 0.969 92 N HN 0.609 nan 8.380 nan 0.000 0.459 109 L N 1.487 122.678 121.223 -0.053 0.000 2.042 109 L HA -0.002 4.333 4.340 -0.009 0.000 0.210 109 L C 2.562 179.423 176.870 -0.016 0.000 1.076 109 L CA 1.791 56.586 54.840 -0.075 0.000 0.749 109 L CB -0.559 41.529 42.059 0.049 0.000 0.893 109 L HN 0.448 nan 8.230 nan 0.000 0.432 110 G N -0.703 108.119 108.800 0.037 0.000 2.469 110 G HA2 -0.316 3.639 3.960 -0.009 0.000 0.220 110 G HA3 -0.316 3.639 3.960 -0.009 0.000 0.220 110 G C 1.830 176.752 174.900 0.035 0.000 1.136 110 G CA 1.159 46.293 45.100 0.056 0.000 0.759 110 G HN 0.371 nan 8.290 nan 0.000 0.562 111 S N -0.306 115.387 115.700 -0.012 0.000 2.355 111 S HA -0.156 4.308 4.470 -0.009 0.000 0.222 111 S C 2.389 176.975 174.600 -0.023 0.000 1.031 111 S CA 1.992 60.181 58.200 -0.018 0.000 0.993 111 S CB -0.245 62.936 63.200 -0.033 0.000 0.859 111 S HN 0.424 nan 8.310 nan 0.000 0.453 112 Q N -0.294 119.452 119.800 -0.090 0.000 2.172 112 Q HA 0.089 4.424 4.340 -0.009 0.000 0.200 112 Q C 1.537 177.489 176.000 -0.079 0.000 0.964 112 Q CA 1.522 57.245 55.803 -0.132 0.000 0.855 112 Q CB -0.498 28.089 28.738 -0.251 0.000 0.918 112 Q HN 0.576 nan 8.270 nan 0.000 0.444 113 F N -0.304 119.649 119.950 0.004 0.000 2.234 113 F HA -0.093 4.427 4.527 -0.012 0.000 0.299 113 F C 2.236 178.067 175.800 0.052 0.000 1.087 113 F CA 1.452 59.465 58.000 0.022 0.000 1.340 113 F CB -0.850 38.148 39.000 -0.004 0.000 1.031 113 F HN 0.048 nan 8.300 nan 0.000 0.500 114 T N -0.505 114.168 114.554 0.198 0.000 2.746 114 T HA -0.190 4.155 4.350 -0.009 0.000 0.267 114 T C 1.836 176.634 174.700 0.164 0.000 1.039 114 T CA 1.642 63.826 62.100 0.140 0.000 1.142 114 T CB -0.250 68.654 68.868 0.061 0.000 0.866 114 T HN 0.314 nan 8.240 nan 0.000 0.444 115 E N 0.317 120.581 120.200 0.107 0.000 2.110 115 E HA -0.052 4.293 4.350 -0.009 0.000 0.193 115 E C 2.131 178.789 176.600 0.097 0.000 0.988 115 E CA 0.831 57.279 56.400 0.080 0.000 0.804 115 E CB -0.213 29.506 29.700 0.032 0.000 0.745 115 E HN 0.493 nan 8.360 nan 0.000 0.458 116 I N 0.309 120.957 120.570 0.131 0.000 2.202 116 I HA -0.235 3.929 4.170 -0.009 0.000 0.242 116 I C 2.228 178.426 176.117 0.135 0.000 1.091 116 I CA 0.798 62.173 61.300 0.126 0.000 1.368 116 I CB -0.231 37.876 38.000 0.178 0.000 1.058 116 I HN 0.060 nan 8.210 nan 0.000 0.410 117 F N 2.144 122.133 119.950 0.065 0.000 2.087 117 F HA -0.268 4.256 4.527 -0.005 0.000 0.299 117 F C 2.220 178.033 175.800 0.021 0.000 1.100 117 F CA 2.174 60.197 58.000 0.038 0.000 1.226 117 F CB -0.187 38.834 39.000 0.035 0.000 0.983 117 F HN 0.072 nan 8.300 nan 0.000 0.479 118 I N -2.019 118.651 120.570 0.167 0.000 3.684 118 I HA 0.014 4.179 4.170 -0.009 0.000 0.304 118 I C 2.084 178.197 176.117 -0.006 0.000 1.278 118 I CA 0.407 61.751 61.300 0.074 0.000 1.272 118 I CB -0.632 37.453 38.000 0.141 0.000 1.029 118 I HN 0.104 nan 8.210 nan 0.000 0.458 119 K N 1.763 122.155 120.400 -0.014 0.000 2.034 119 K HA -0.196 4.119 4.320 -0.009 0.000 0.214 119 K C 0.453 177.023 176.600 -0.050 0.000 1.051 119 K CA 1.708 57.980 56.287 -0.024 0.000 0.931 119 K CB -0.097 32.390 32.500 -0.022 0.000 0.715 119 K HN 0.471 nan 8.250 nan 0.000 0.446 120 Q N 1.199 120.942 119.800 -0.095 0.000 2.344 120 Q HA 0.052 4.387 4.340 -0.009 0.000 0.253 120 Q C 0.404 176.335 176.000 -0.114 0.000 1.050 120 Q CA -0.040 55.699 55.803 -0.106 0.000 0.912 120 Q CB 1.455 30.110 28.738 -0.138 0.000 1.258 120 Q HN 0.231 nan 8.270 nan 0.000 0.443 121 Q N 1.658 121.420 119.800 -0.063 0.000 2.226 121 Q HA -0.202 4.132 4.340 -0.009 0.000 0.204 121 Q C 0.776 176.750 176.000 -0.044 0.000 0.975 121 Q CA 1.045 56.825 55.803 -0.038 0.000 0.866 121 Q CB 0.231 28.959 28.738 -0.017 0.000 0.915 121 Q HN 0.663 nan 8.270 nan 0.000 0.440 122 E N 0.441 120.606 120.200 -0.059 0.000 2.333 122 E HA -0.144 4.201 4.350 -0.009 0.000 0.198 122 E C 1.411 177.965 176.600 -0.077 0.000 1.007 122 E CA 0.360 56.728 56.400 -0.053 0.000 0.845 122 E CB 0.089 29.760 29.700 -0.049 0.000 0.766 122 E HN 0.339 nan 8.360 nan 0.000 0.507 123 N N 0.066 118.668 118.700 -0.162 0.000 2.188 123 N HA -0.114 4.620 4.740 -0.009 0.000 0.184 123 N C 1.789 177.294 175.510 -0.009 0.000 1.018 123 N CA 0.801 53.688 53.050 -0.271 0.000 0.858 123 N CB -0.152 37.819 38.487 -0.859 0.000 0.989 123 N HN 0.044 nan 8.380 nan 0.000 0.426 124 V N 1.178 121.133 119.914 0.068 0.000 2.323 124 V HA -0.172 3.943 4.120 -0.009 0.000 0.244 124 V C 2.589 178.727 176.094 0.074 0.000 1.041 124 V CA 2.102 64.493 62.300 0.153 0.000 1.025 124 V CB -1.188 30.708 31.823 0.121 0.000 0.656 124 V HN 0.495 nan 8.190 nan 0.000 0.451 125 T N -0.922 113.651 114.554 0.031 0.000 2.833 125 T HA -0.189 4.155 4.350 -0.009 0.000 0.269 125 T C 1.897 176.606 174.700 0.014 0.000 1.054 125 T CA 1.603 63.713 62.100 0.015 0.000 1.135 125 T CB -0.446 68.424 68.868 0.003 0.000 0.869 125 T HN 0.264 nan 8.240 nan 0.000 0.466 126 L N 0.872 122.105 121.223 0.017 0.000 2.046 126 L HA 0.165 4.499 4.340 -0.009 0.000 0.208 126 L C 2.365 179.254 176.870 0.031 0.000 1.077 126 L CA 1.442 56.293 54.840 0.018 0.000 0.747 126 L CB -0.790 41.276 42.059 0.013 0.000 0.896 126 L HN 0.320 nan 8.230 nan 0.000 0.432 127 L N -1.400 119.861 121.223 0.064 0.000 2.083 127 L HA -0.240 4.095 4.340 -0.009 0.000 0.209 127 L C 2.513 179.382 176.870 -0.002 0.000 1.083 127 L CA 1.174 56.040 54.840 0.043 0.000 0.752 127 L CB -0.587 41.512 42.059 0.068 0.000 0.899 127 L HN 0.313 nan 8.230 nan 0.000 0.433 128 L N -1.027 120.197 121.223 0.001 0.000 2.046 128 L HA -0.200 4.134 4.340 -0.009 0.000 0.208 128 L C 2.730 179.583 176.870 -0.028 0.000 1.077 128 L CA 1.084 55.913 54.840 -0.019 0.000 0.747 128 L CB -0.522 41.531 42.059 -0.010 0.000 0.896 128 L HN 0.186 nan 8.230 nan 0.000 0.432 129 S N 0.070 115.761 115.700 -0.016 0.000 2.368 129 S HA -0.122 4.342 4.470 -0.009 0.000 0.225 129 S C 1.979 176.561 174.600 -0.029 0.000 1.030 129 S CA 1.163 59.352 58.200 -0.018 0.000 0.999 129 S CB -0.282 62.913 63.200 -0.009 0.000 0.844 129 S HN 0.285 nan 8.310 nan 0.000 0.459 130 L N 0.996 122.201 121.223 -0.029 0.000 2.083 130 L HA -0.064 4.271 4.340 -0.009 0.000 0.209 130 L C 1.895 178.717 176.870 -0.080 0.000 1.083 130 L CA 0.935 55.750 54.840 -0.042 0.000 0.752 130 L CB -0.530 41.510 42.059 -0.031 0.000 0.899 130 L HN 0.288 nan 8.230 nan 0.000 0.433 131 L N -0.490 120.676 121.223 -0.095 0.000 2.549 131 L HA -0.131 4.204 4.340 -0.009 0.000 0.229 131 L C 2.055 178.803 176.870 -0.203 0.000 1.158 131 L CA 0.548 55.299 54.840 -0.149 0.000 0.842 131 L CB -0.385 41.598 42.059 -0.128 0.000 0.952 131 L HN 0.300 nan 8.230 nan 0.000 0.452 132 E N -0.202 119.912 120.200 -0.142 0.000 2.358 132 E HA -0.041 4.303 4.350 -0.009 0.000 0.195 132 E C 0.282 176.784 176.600 -0.162 0.000 1.010 132 E CA 0.167 56.486 56.400 -0.135 0.000 0.856 132 E CB 0.188 29.868 29.700 -0.034 0.000 0.795 132 E HN 0.503 nan 8.360 nan 0.000 0.504 133 E N -0.106 120.009 120.200 -0.141 0.000 2.354 133 E HA 0.047 4.392 4.350 -0.009 0.000 0.269 133 E C -0.077 176.399 176.600 -0.207 0.000 1.036 133 E CA -0.047 56.313 56.400 -0.067 0.000 0.876 133 E CB 0.664 30.347 29.700 -0.029 0.000 1.009 133 E HN 0.124 nan 8.360 nan 0.000 0.416 134 F N 0.468 120.418 119.950 0.001 0.000 2.714 134 F HA 0.037 4.559 4.527 -0.009 0.000 0.294 134 F C 0.294 176.105 175.800 0.018 0.000 1.120 134 F CA -0.300 57.706 58.000 0.010 0.000 1.398 134 F CB 0.394 39.402 39.000 0.012 0.000 1.120 134 F HN 0.328 nan 8.300 nan 0.000 0.589 135 D N 0.850 121.337 120.400 0.145 0.000 2.586 135 D HA -0.154 4.481 4.640 -0.009 0.000 0.234 135 D C 1.004 177.341 176.300 0.061 0.000 1.132 135 D CA 0.337 54.389 54.000 0.086 0.000 0.860 135 D CB 0.210 41.042 40.800 0.052 0.000 1.159 135 D HN 0.061 nan 8.370 nan 0.000 0.490 136 F N 2.503 122.389 119.950 -0.107 0.000 2.126 136 F HA -0.247 4.275 4.527 -0.008 0.000 0.299 136 F C 2.028 177.826 175.800 -0.004 0.000 1.096 136 F CA 1.562 59.499 58.000 -0.104 0.000 1.255 136 F CB 0.071 38.925 39.000 -0.244 0.000 0.997 136 F HN 0.490 nan 8.300 nan 0.000 0.479 137 H N -0.988 118.167 119.070 0.141 0.000 2.546 137 H HA 0.018 4.569 4.556 -0.009 0.000 0.277 137 H C 2.298 177.593 175.328 -0.056 0.000 1.004 137 H CA 1.254 57.329 56.048 0.046 0.000 1.231 137 H CB -0.531 29.245 29.762 0.022 0.000 1.382 137 H HN 0.257 nan 8.280 nan 0.000 0.580 138 V N -0.009 119.919 119.914 0.024 0.000 2.492 138 V HA -0.058 4.057 4.120 -0.009 0.000 0.241 138 V C 2.594 178.626 176.094 -0.103 0.000 1.041 138 V CA 1.048 63.326 62.300 -0.038 0.000 1.057 138 V CB -0.123 31.682 31.823 -0.030 0.000 0.711 138 V HN 0.148 nan 8.190 nan 0.000 0.468 139 R N -0.692 119.728 120.500 -0.134 0.000 2.066 139 R HA -0.205 4.130 4.340 -0.009 0.000 0.232 139 R C 2.039 178.214 176.300 -0.209 0.000 1.131 139 R CA 2.153 58.145 56.100 -0.180 0.000 0.955 139 R CB -0.520 29.672 30.300 -0.180 0.000 0.851 139 R HN 0.579 nan 8.270 nan 0.000 0.432 140 W N 1.403 122.377 121.300 -0.544 0.000 2.354 140 W HA -0.003 4.652 4.660 -0.008 0.000 0.315 140 W C -1.173 175.117 176.519 -0.381 0.000 1.206 140 W CA 1.063 58.063 57.345 -0.576 0.000 1.290 140 W CB -1.033 27.797 29.460 -1.051 0.000 1.152 140 W HN 0.130 nan 8.180 nan 0.000 0.489 141 P HA -0.053 nan 4.420 nan 0.000 0.218 141 P C 1.768 178.808 177.300 -0.432 0.000 1.149 141 P CA 2.624 65.383 63.100 -0.570 0.000 0.817 141 P CB -0.609 30.929 31.700 -0.271 0.000 0.785 142 G N -0.052 108.575 108.800 -0.289 0.000 2.418 142 G HA2 -0.225 3.729 3.960 -0.009 0.000 0.217 142 G HA3 -0.225 3.729 3.960 -0.009 0.000 0.217 142 G C 1.608 176.362 174.900 -0.243 0.000 1.158 142 G CA 0.702 45.672 45.100 -0.215 0.000 0.771 142 G HN 0.156 nan 8.290 nan 0.000 0.545 143 V N 0.708 120.446 119.914 -0.293 0.000 2.307 143 V HA -0.141 3.974 4.120 -0.009 0.000 0.245 143 V C 2.786 178.691 176.094 -0.315 0.000 1.045 143 V CA 2.067 64.211 62.300 -0.260 0.000 1.024 143 V CB -0.367 31.324 31.823 -0.221 0.000 0.651 143 V HN 0.332 nan 8.190 nan 0.000 0.449 144 K N -0.402 119.679 120.400 -0.531 0.000 2.097 144 K HA -0.162 4.152 4.320 -0.009 0.000 0.206 144 K C 2.102 178.529 176.600 -0.288 0.000 1.049 144 K CA 1.359 57.298 56.287 -0.579 0.000 0.933 144 K CB -0.337 31.454 32.500 -1.182 0.000 0.717 144 K HN 0.304 nan 8.250 nan 0.000 0.442 145 L N 1.100 122.175 121.223 -0.247 0.000 2.044 145 L HA -0.087 4.247 4.340 -0.009 0.000 0.205 145 L C 2.035 178.833 176.870 -0.119 0.000 1.075 145 L CA 1.317 56.112 54.840 -0.075 0.000 0.747 145 L CB -0.522 41.452 42.059 -0.141 0.000 0.903 145 L HN 0.029 nan 8.230 nan 0.000 0.435 146 L N -0.745 120.396 121.223 -0.136 0.000 2.141 146 L HA -0.131 4.204 4.340 -0.009 0.000 0.209 146 L C 2.257 179.080 176.870 -0.077 0.000 1.094 146 L CA 2.177 56.957 54.840 -0.101 0.000 0.763 146 L CB -0.964 41.045 42.059 -0.084 0.000 0.908 146 L HN 0.343 nan 8.230 nan 0.000 0.437 147 T N -1.709 112.795 114.554 -0.083 0.000 2.746 147 T HA -0.184 4.160 4.350 -0.009 0.000 0.267 147 T C 2.070 176.751 174.700 -0.032 0.000 1.039 147 T CA 1.570 63.636 62.100 -0.056 0.000 1.142 147 T CB -0.328 68.501 68.868 -0.065 0.000 0.866 147 T HN 0.444 nan 8.240 nan 0.000 0.444 148 S N 0.735 116.426 115.700 -0.015 0.000 2.356 148 S HA -0.015 4.450 4.470 -0.009 0.000 0.223 148 S C 2.070 176.644 174.600 -0.045 0.000 1.032 148 S CA 0.851 59.041 58.200 -0.016 0.000 1.005 148 S CB -0.568 62.629 63.200 -0.006 0.000 0.867 148 S HN 0.417 nan 8.310 nan 0.000 0.449 149 L N 0.890 122.071 121.223 -0.070 0.000 2.013 149 L HA -0.163 4.171 4.340 -0.009 0.000 0.212 149 L C 2.523 179.378 176.870 -0.024 0.000 1.073 149 L CA 1.437 56.242 54.840 -0.058 0.000 0.753 149 L CB -0.600 41.414 42.059 -0.076 0.000 0.890 149 L HN 0.356 nan 8.230 nan 0.000 0.432 150 L N -0.623 120.585 121.223 -0.025 0.000 2.141 150 L HA -0.204 4.130 4.340 -0.009 0.000 0.209 150 L C 2.587 179.449 176.870 -0.014 0.000 1.094 150 L CA 1.263 56.093 54.840 -0.016 0.000 0.763 150 L CB -0.268 41.778 42.059 -0.021 0.000 0.908 150 L HN 0.200 nan 8.230 nan 0.000 0.437 151 K N -0.655 119.736 120.400 -0.017 0.000 2.103 151 K HA -0.140 4.175 4.320 -0.009 0.000 0.204 151 K C 2.127 178.720 176.600 -0.012 0.000 1.052 151 K CA 1.097 57.376 56.287 -0.013 0.000 0.945 151 K CB 0.029 32.522 32.500 -0.013 0.000 0.722 151 K HN 0.367 nan 8.250 nan 0.000 0.443 152 Q N -0.461 119.331 119.800 -0.014 0.000 2.212 152 Q HA 0.007 4.342 4.340 -0.009 0.000 0.199 152 Q C 0.178 176.176 176.000 -0.003 0.000 0.950 152 Q CA 0.641 56.438 55.803 -0.011 0.000 0.863 152 Q CB 0.431 29.161 28.738 -0.014 0.000 0.944 152 Q HN 0.053 nan 8.270 nan 0.000 0.465 153 L N 0.285 121.509 121.223 0.002 0.000 2.861 153 L HA 0.316 4.651 4.340 -0.009 0.000 0.290 153 L C 0.886 177.760 176.870 0.008 0.000 1.346 153 L CA 0.036 54.881 54.840 0.008 0.000 0.779 153 L CB 0.459 42.530 42.059 0.021 0.000 1.143 153 L HN 0.071 nan 8.230 nan 0.000 0.548 154 G N 1.384 110.185 108.800 0.002 0.000 2.719 154 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.219 154 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.219 154 G C -0.785 174.117 174.900 0.003 0.000 1.234 154 G CA 1.349 46.449 45.100 -0.000 0.000 0.788 154 G HN 0.395 nan 8.290 nan 0.000 0.619 155 P HA -0.091 nan 4.420 nan 0.000 0.216 155 P C 1.899 179.204 177.300 0.007 0.000 1.153 155 P CA 1.682 64.784 63.100 0.004 0.000 0.858 155 P CB -0.072 31.630 31.700 0.003 0.000 0.789 156 Q N -1.007 118.799 119.800 0.011 0.000 2.049 156 Q HA -0.074 4.261 4.340 -0.009 0.000 0.198 156 Q C 2.157 178.170 176.000 0.020 0.000 0.971 156 Q CA 1.238 57.051 55.803 0.016 0.000 0.833 156 Q CB -1.229 27.521 28.738 0.020 0.000 0.896 156 Q HN 0.064 nan 8.270 nan 0.000 0.434 157 V N 0.731 120.659 119.914 0.024 0.000 2.358 157 V HA -0.283 3.831 4.120 -0.009 0.000 0.246 157 V C 2.109 178.213 176.094 0.017 0.000 1.047 157 V CA 1.814 64.131 62.300 0.029 0.000 1.035 157 V CB -0.634 31.206 31.823 0.029 0.000 0.658 157 V HN 0.381 nan 8.190 nan 0.000 0.452 158 Q N -0.291 119.514 119.800 0.008 0.000 2.077 158 Q HA -0.338 3.997 4.340 -0.009 0.000 0.206 158 Q C 2.391 178.394 176.000 0.004 0.000 0.989 158 Q CA 2.249 58.053 55.803 0.002 0.000 0.853 158 Q CB -0.289 28.449 28.738 -0.001 0.000 0.907 158 Q HN 0.589 nan 8.270 nan 0.000 0.418 159 Q N 0.920 120.724 119.800 0.006 0.000 2.096 159 Q HA -0.149 4.186 4.340 -0.009 0.000 0.204 159 Q C 1.704 177.708 176.000 0.008 0.000 0.982 159 Q CA 1.562 57.369 55.803 0.006 0.000 0.850 159 Q CB -0.229 28.513 28.738 0.007 0.000 0.901 159 Q HN 0.463 nan 8.270 nan 0.000 0.422 160 I N -0.456 120.120 120.570 0.011 0.000 2.226 160 I HA -0.246 3.918 4.170 -0.009 0.000 0.245 160 I C 2.038 178.160 176.117 0.010 0.000 1.100 160 I CA 0.985 62.292 61.300 0.012 0.000 1.374 160 I CB -0.238 37.775 38.000 0.021 0.000 1.057 160 I HN 0.210 nan 8.210 nan 0.000 0.413 161 I N -0.011 120.565 120.570 0.009 0.000 2.252 161 I HA -0.269 3.896 4.170 -0.009 0.000 0.245 161 I C 2.467 178.585 176.117 0.001 0.000 1.102 161 I CA 0.959 62.261 61.300 0.004 0.000 1.385 161 I CB -0.272 37.728 38.000 0.000 0.000 1.064 161 I HN 0.214 nan 8.210 nan 0.000 0.414 162 L N 1.067 122.291 121.223 0.001 0.000 2.042 162 L HA -0.159 4.176 4.340 -0.009 0.000 0.210 162 L C 2.300 179.172 176.870 0.003 0.000 1.076 162 L CA 1.985 56.826 54.840 0.001 0.000 0.749 162 L CB -0.448 41.613 42.059 0.002 0.000 0.893 162 L HN 0.257 nan 8.230 nan 0.000 0.432 163 V N -3.731 116.185 119.914 0.003 0.000 3.541 163 V HA 0.149 4.263 4.120 -0.009 0.000 0.267 163 V C 1.264 177.359 176.094 0.002 0.000 1.213 163 V CA 0.439 62.740 62.300 0.003 0.000 1.149 163 V CB -0.912 30.913 31.823 0.003 0.000 0.822 163 V HN 0.397 nan 8.190 nan 0.000 0.462 164 S N 2.554 118.255 115.700 0.001 0.000 2.481 164 S HA 0.412 4.877 4.470 -0.009 0.000 0.276 164 S C -2.295 172.304 174.600 -0.001 0.000 1.247 164 S CA -1.117 57.083 58.200 0.000 0.000 1.053 164 S CB 0.302 63.502 63.200 0.001 0.000 0.925 164 S HN 0.369 nan 8.310 nan 0.000 0.491 165 P HA 0.044 nan 4.420 nan 0.000 0.262 165 P C 0.424 177.722 177.300 -0.002 0.000 1.182 165 P CA 0.560 63.659 63.100 -0.002 0.000 0.761 165 P CB 0.055 31.754 31.700 -0.001 0.000 0.795 166 M N 0.423 120.022 119.600 -0.002 0.000 2.872 166 M HA -0.251 4.223 4.480 -0.009 0.000 0.183 166 M C 1.368 177.664 176.300 -0.006 0.000 0.631 166 M CA 1.218 56.517 55.300 -0.003 0.000 0.672 166 M CB -2.420 30.180 32.600 -0.000 0.000 2.432 166 M HN 0.590 nan 8.290 nan 0.000 0.376 167 G N 0.232 109.028 108.800 -0.006 0.000 2.433 167 G HA2 -0.050 3.905 3.960 -0.009 0.000 0.216 167 G HA3 -0.050 3.905 3.960 -0.009 0.000 0.216 167 G C 1.171 176.063 174.900 -0.013 0.000 1.186 167 G CA 1.157 46.252 45.100 -0.009 0.000 0.779 167 G HN 0.384 nan 8.290 nan 0.000 0.543 168 V N 1.018 120.925 119.914 -0.011 0.000 2.427 168 V HA -0.156 3.959 4.120 -0.009 0.000 0.248 168 V C 3.121 179.206 176.094 -0.016 0.000 1.051 168 V CA 2.090 64.381 62.300 -0.015 0.000 1.048 168 V CB -0.441 31.374 31.823 -0.013 0.000 0.666 168 V HN 0.346 nan 8.190 nan 0.000 0.456 169 S N -0.282 115.412 115.700 -0.009 0.000 2.370 169 S HA -0.237 4.228 4.470 -0.009 0.000 0.226 169 S C 2.097 176.692 174.600 -0.008 0.000 1.033 169 S CA 1.633 59.830 58.200 -0.005 0.000 1.011 169 S CB -0.340 62.861 63.200 0.001 0.000 0.852 169 S HN 0.535 nan 8.310 nan 0.000 0.457 170 R N 0.454 120.944 120.500 -0.016 0.000 2.152 170 R HA 0.039 4.374 4.340 -0.009 0.000 0.232 170 R C 2.045 178.320 176.300 -0.043 0.000 1.117 170 R CA 0.932 57.014 56.100 -0.029 0.000 0.981 170 R CB -0.324 29.954 30.300 -0.036 0.000 0.870 170 R HN 0.388 nan 8.270 nan 0.000 0.451 171 L N -0.665 120.536 121.223 -0.037 0.000 2.127 171 L HA -0.040 4.295 4.340 -0.009 0.000 0.203 171 L C 2.357 179.208 176.870 -0.033 0.000 1.080 171 L CA 0.427 55.242 54.840 -0.042 0.000 0.768 171 L CB -0.290 41.746 42.059 -0.039 0.000 0.924 171 L HN 0.144 nan 8.230 nan 0.000 0.444 172 M N -0.059 119.525 119.600 -0.026 0.000 2.149 172 M HA -0.230 4.245 4.480 -0.009 0.000 0.261 172 M C 1.642 177.939 176.300 -0.005 0.000 1.064 172 M CA 1.637 56.925 55.300 -0.020 0.000 1.102 172 M CB -1.018 31.571 32.600 -0.018 0.000 1.369 172 M HN 0.196 nan 8.290 nan 0.000 0.408 173 D N 0.228 120.628 120.400 0.000 0.000 2.310 173 D HA -0.056 4.579 4.640 -0.009 0.000 0.212 173 D C 2.108 178.420 176.300 0.020 0.000 0.965 173 D CA 0.616 54.629 54.000 0.022 0.000 0.879 173 D CB -0.172 40.650 40.800 0.036 0.000 0.921 173 D HN 0.367 nan 8.370 nan 0.000 0.510 174 L N 0.154 121.370 121.223 -0.011 0.000 2.127 174 L HA -0.143 4.192 4.340 -0.009 0.000 0.211 174 L C 2.317 179.199 176.870 0.020 0.000 1.089 174 L CA 0.564 55.397 54.840 -0.011 0.000 0.757 174 L CB -0.347 41.692 42.059 -0.033 0.000 0.899 174 L HN 0.061 nan 8.230 nan 0.000 0.434 175 L N -0.315 120.919 121.223 0.018 0.000 2.450 175 L HA -0.141 4.193 4.340 -0.009 0.000 0.224 175 L C 2.236 179.133 176.870 0.044 0.000 1.149 175 L CA 0.732 55.589 54.840 0.028 0.000 0.816 175 L CB -0.532 41.537 42.059 0.018 0.000 0.932 175 L HN 0.266 nan 8.230 nan 0.000 0.449 176 A N -1.997 120.857 122.820 0.058 0.000 2.390 176 A HA 0.022 4.336 4.320 -0.009 0.000 0.232 176 A C 0.618 178.263 177.584 0.102 0.000 1.233 176 A CA -0.326 51.755 52.037 0.073 0.000 0.907 176 A CB -0.096 18.949 19.000 0.076 0.000 0.967 176 A HN 0.197 nan 8.150 nan 0.000 0.512 177 D N 0.361 120.828 120.400 0.113 0.000 2.455 177 D HA 0.094 4.729 4.640 -0.009 0.000 0.241 177 D C 0.679 177.048 176.300 0.115 0.000 1.138 177 D CA 0.269 54.362 54.000 0.156 0.000 0.877 177 D CB 1.090 41.971 40.800 0.135 0.000 1.187 177 D HN 0.178 nan 8.370 nan 0.000 0.451 178 S N 3.110 118.878 115.700 0.114 0.000 2.419 178 S HA -0.130 4.334 4.470 -0.009 0.000 0.233 178 S C 0.818 175.455 174.600 0.062 0.000 1.016 178 S CA 0.804 59.045 58.200 0.069 0.000 0.974 178 S CB 0.122 63.351 63.200 0.048 0.000 0.786 178 S HN 0.426 nan 8.310 nan 0.000 0.492 179 R N 1.443 121.998 120.500 0.092 0.000 2.202 179 R HA 0.252 4.586 4.340 -0.009 0.000 0.334 179 R C 0.967 177.314 176.300 0.079 0.000 1.036 179 R CA -0.184 55.964 56.100 0.079 0.000 0.878 179 R CB 0.639 31.018 30.300 0.131 0.000 1.067 179 R HN 0.261 nan 8.270 nan 0.000 0.457 180 E N 1.941 122.167 120.200 0.044 0.000 2.097 180 E HA -0.219 4.126 4.350 -0.009 0.000 0.196 180 E C 1.350 177.987 176.600 0.061 0.000 1.000 180 E CA 1.398 57.823 56.400 0.041 0.000 0.804 180 E CB 0.226 29.935 29.700 0.016 0.000 0.740 180 E HN 0.451 nan 8.360 nan 0.000 0.454 181 V N 0.976 120.932 119.914 0.069 0.000 2.332 181 V HA -0.284 3.830 4.120 -0.009 0.000 0.248 181 V C 2.242 178.438 176.094 0.170 0.000 1.055 181 V CA 1.681 64.041 62.300 0.099 0.000 1.038 181 V CB -0.391 31.463 31.823 0.051 0.000 0.651 181 V HN 0.350 nan 8.190 nan 0.000 0.450 182 I N -0.477 120.205 120.570 0.187 0.000 2.286 182 I HA -0.196 3.968 4.170 -0.009 0.000 0.245 182 I C 2.770 178.949 176.117 0.104 0.000 1.104 182 I CA 1.485 62.886 61.300 0.170 0.000 1.397 182 I CB -0.469 37.618 38.000 0.146 0.000 1.072 182 I HN 0.233 nan 8.210 nan 0.000 0.417 183 R N 1.283 121.835 120.500 0.087 0.000 2.091 183 R HA -0.199 4.135 4.340 -0.009 0.000 0.238 183 R C 1.997 178.328 176.300 0.051 0.000 1.136 183 R CA 1.924 58.060 56.100 0.060 0.000 0.959 183 R CB -0.165 30.167 30.300 0.054 0.000 0.856 183 R HN 0.366 nan 8.270 nan 0.000 0.437 184 N N 0.907 119.644 118.700 0.062 0.000 2.171 184 N HA -0.123 4.611 4.740 -0.009 0.000 0.184 184 N C 1.169 176.712 175.510 0.056 0.000 1.021 184 N CA 1.327 54.408 53.050 0.053 0.000 0.854 184 N CB -0.442 38.078 38.487 0.055 0.000 0.994 184 N HN 0.248 nan 8.380 nan 0.000 0.426 185 D N 0.020 120.472 120.400 0.087 0.000 2.264 185 D HA -0.026 4.609 4.640 -0.009 0.000 0.208 185 D C 1.866 178.175 176.300 0.014 0.000 0.966 185 D CA 0.709 54.747 54.000 0.064 0.000 0.864 185 D CB -0.458 40.408 40.800 0.110 0.000 0.933 185 D HN 0.323 nan 8.370 nan 0.000 0.499 186 G N 0.630 109.441 108.800 0.018 0.000 2.402 186 G HA2 -0.196 3.759 3.960 -0.009 0.000 0.216 186 G HA3 -0.196 3.759 3.960 -0.009 0.000 0.216 186 G C 1.857 176.752 174.900 -0.007 0.000 1.162 186 G CA 0.570 45.667 45.100 -0.004 0.000 0.777 186 G HN 0.230 nan 8.290 nan 0.000 0.539 187 V N 1.016 120.932 119.914 0.004 0.000 2.332 187 V HA -0.166 3.949 4.120 -0.009 0.000 0.248 187 V C 2.918 179.009 176.094 -0.006 0.000 1.055 187 V CA 1.547 63.847 62.300 -0.000 0.000 1.038 187 V CB -0.453 31.374 31.823 0.007 0.000 0.651 187 V HN 0.345 nan 8.190 nan 0.000 0.450 188 L N -0.886 120.335 121.223 -0.003 0.000 2.056 188 L HA -0.181 4.154 4.340 -0.009 0.000 0.207 188 L C 2.422 179.281 176.870 -0.019 0.000 1.078 188 L CA 1.442 56.278 54.840 -0.008 0.000 0.749 188 L CB -0.489 41.569 42.059 -0.002 0.000 0.901 188 L HN 0.336 nan 8.230 nan 0.000 0.433 189 L N -0.201 121.005 121.223 -0.029 0.000 2.012 189 L HA -0.246 4.088 4.340 -0.009 0.000 0.210 189 L C 2.452 179.303 176.870 -0.032 0.000 1.073 189 L CA 1.512 56.329 54.840 -0.039 0.000 0.748 189 L CB -0.095 41.932 42.059 -0.053 0.000 0.891 189 L HN 0.171 nan 8.230 nan 0.000 0.431 190 L N -0.784 120.421 121.223 -0.030 0.000 2.141 190 L HA -0.206 4.128 4.340 -0.009 0.000 0.209 190 L C 2.643 179.496 176.870 -0.029 0.000 1.094 190 L CA 1.007 55.828 54.840 -0.032 0.000 0.763 190 L CB -0.535 41.503 42.059 -0.035 0.000 0.908 190 L HN 0.381 nan 8.230 nan 0.000 0.437 191 Q N -0.026 119.760 119.800 -0.022 0.000 2.061 191 Q HA -0.241 4.094 4.340 -0.009 0.000 0.204 191 Q C 2.470 178.459 176.000 -0.018 0.000 0.984 191 Q CA 1.878 57.671 55.803 -0.017 0.000 0.846 191 Q CB -0.344 28.387 28.738 -0.012 0.000 0.902 191 Q HN 0.589 nan 8.270 nan 0.000 0.421 192 A N 0.525 123.333 122.820 -0.019 0.000 1.930 192 A HA -0.142 4.172 4.320 -0.009 0.000 0.217 192 A C 2.020 179.593 177.584 -0.019 0.000 1.175 192 A CA 0.960 52.987 52.037 -0.018 0.000 0.627 192 A CB -0.471 18.518 19.000 -0.019 0.000 0.815 192 A HN 0.325 nan 8.150 nan 0.000 0.443 193 L N 0.357 121.567 121.223 -0.023 0.000 2.056 193 L HA -0.099 4.236 4.340 -0.009 0.000 0.207 193 L C 2.655 179.511 176.870 -0.024 0.000 1.078 193 L CA 2.697 57.523 54.840 -0.023 0.000 0.749 193 L CB -0.600 41.442 42.059 -0.029 0.000 0.901 193 L HN 0.542 nan 8.230 nan 0.000 0.433 194 T N -3.118 111.420 114.554 -0.028 0.000 3.067 194 T HA -0.055 4.289 4.350 -0.009 0.000 0.261 194 T C 1.293 175.981 174.700 -0.021 0.000 1.110 194 T CA -0.262 61.819 62.100 -0.031 0.000 1.113 194 T CB -0.461 68.383 68.868 -0.041 0.000 0.917 194 T HN 0.247 nan 8.240 nan 0.000 0.499 195 R N 2.008 122.499 120.500 -0.016 0.000 2.480 195 R HA 0.100 4.435 4.340 -0.009 0.000 0.303 195 R C -0.084 176.211 176.300 -0.009 0.000 0.985 195 R CA 0.639 56.732 56.100 -0.011 0.000 1.051 195 R CB -0.609 29.686 30.300 -0.009 0.000 0.935 195 R HN 0.310 nan 8.270 nan 0.000 0.410 196 S N 2.707 118.403 115.700 -0.007 0.000 3.549 196 S HA -0.199 4.265 4.470 -0.009 0.000 0.366 196 S C -0.481 174.116 174.600 -0.005 0.000 1.012 196 S CA 1.210 59.408 58.200 -0.004 0.000 1.141 196 S CB -1.177 62.021 63.200 -0.003 0.000 0.910 196 S HN 0.834 nan 8.310 nan 0.000 0.471 197 N N -0.114 118.581 118.700 -0.009 0.000 2.609 197 N HA 0.387 5.121 4.740 -0.009 0.000 0.268 197 N C 0.969 176.471 175.510 -0.013 0.000 1.106 197 N CA 0.379 53.424 53.050 -0.009 0.000 0.823 197 N CB 1.076 39.557 38.487 -0.011 0.000 1.263 197 N HN 0.243 nan 8.380 nan 0.000 0.533 198 G N 2.164 110.959 108.800 -0.008 0.000 2.446 198 G HA2 -0.255 3.699 3.960 -0.009 0.000 0.217 198 G HA3 -0.255 3.699 3.960 -0.009 0.000 0.217 198 G C 1.323 176.213 174.900 -0.016 0.000 1.168 198 G CA 1.248 46.343 45.100 -0.010 0.000 0.771 198 G HN 0.612 nan 8.290 nan 0.000 0.551 199 A N 0.754 123.570 122.820 -0.007 0.000 1.877 199 A HA 0.038 4.352 4.320 -0.009 0.000 0.216 199 A C 2.422 180.000 177.584 -0.012 0.000 1.186 199 A CA 1.399 53.435 52.037 -0.001 0.000 0.620 199 A CB -0.374 18.631 19.000 0.008 0.000 0.822 199 A HN 0.382 nan 8.150 nan 0.000 0.443 200 I N -0.680 119.879 120.570 -0.019 0.000 2.315 200 I HA -0.291 3.873 4.170 -0.009 0.000 0.248 200 I C 2.734 178.815 176.117 -0.059 0.000 1.117 200 I CA 1.359 62.641 61.300 -0.030 0.000 1.404 200 I CB -0.492 37.491 38.000 -0.027 0.000 1.071 200 I HN 0.451 nan 8.210 nan 0.000 0.419 201 Q N 0.922 120.683 119.800 -0.065 0.000 2.096 201 Q HA -0.230 4.104 4.340 -0.009 0.000 0.204 201 Q C 2.189 178.092 176.000 -0.162 0.000 0.982 201 Q CA 1.593 57.336 55.803 -0.101 0.000 0.850 201 Q CB -0.075 28.624 28.738 -0.066 0.000 0.901 201 Q HN 0.454 nan 8.270 nan 0.000 0.422 202 K N 0.320 120.636 120.400 -0.139 0.000 2.057 202 K HA -0.106 4.209 4.320 -0.009 0.000 0.206 202 K C 2.018 178.490 176.600 -0.215 0.000 1.050 202 K CA 1.106 57.256 56.287 -0.229 0.000 0.935 202 K CB -0.090 32.327 32.500 -0.138 0.000 0.715 202 K HN 0.193 nan 8.250 nan 0.000 0.439 203 I N 0.654 121.195 120.570 -0.048 0.000 2.179 203 I HA -0.279 3.885 4.170 -0.009 0.000 0.242 203 I C 2.200 178.293 176.117 -0.040 0.000 1.088 203 I CA 1.082 62.409 61.300 0.046 0.000 1.357 203 I CB -0.368 37.652 38.000 0.034 0.000 1.051 203 I HN -0.069 nan 8.210 nan 0.000 0.409 204 V N 1.159 120.998 119.914 -0.125 0.000 2.392 204 V HA -0.309 3.806 4.120 -0.009 0.000 0.249 204 V C 2.736 178.645 176.094 -0.308 0.000 1.059 204 V CA 2.013 64.208 62.300 -0.175 0.000 1.051 204 V CB -1.018 30.700 31.823 -0.175 0.000 0.658 204 V HN 0.507 nan 8.190 nan 0.000 0.455 205 A N -0.490 122.043 122.820 -0.478 0.000 1.902 205 A HA -0.185 4.130 4.320 -0.009 0.000 0.217 205 A C 2.011 179.219 177.584 -0.627 0.000 1.181 205 A CA 1.765 53.343 52.037 -0.765 0.000 0.623 205 A CB -0.701 17.755 19.000 -0.907 0.000 0.818 205 A HN 0.452 nan 8.150 nan 0.000 0.443 206 F N 0.418 120.091 119.950 -0.462 0.000 2.216 206 F HA -0.063 4.458 4.527 -0.009 0.000 0.300 206 F C 1.973 177.715 175.800 -0.096 0.000 1.085 206 F CA 1.324 59.172 58.000 -0.255 0.000 1.326 206 F CB -0.280 38.632 39.000 -0.146 0.000 1.027 206 F HN 0.325 nan 8.300 nan 0.000 0.497 207 E N -0.163 120.078 120.200 0.070 0.000 2.359 207 E HA -0.039 4.306 4.350 -0.009 0.000 0.187 207 E C 0.151 176.764 176.600 0.022 0.000 1.081 207 E CA 0.041 56.467 56.400 0.043 0.000 0.929 207 E CB -0.377 29.331 29.700 0.012 0.000 1.086 207 E HN 0.238 nan 8.360 nan 0.000 0.462 208 N N -0.877 117.843 118.700 0.033 0.000 2.952 208 N HA -0.234 4.501 4.740 -0.009 0.000 0.245 208 N C 0.698 176.198 175.510 -0.017 0.000 1.029 208 N CA 0.718 53.808 53.050 0.067 0.000 0.870 208 N CB -1.257 37.288 38.487 0.097 0.000 1.121 208 N HN 0.315 nan 8.380 nan 0.000 0.559 209 A N -0.442 122.289 122.820 -0.149 0.000 1.908 209 A HA -0.078 4.236 4.320 -0.009 0.000 0.218 209 A C 1.796 179.299 177.584 -0.134 0.000 1.181 209 A CA 1.754 53.680 52.037 -0.186 0.000 0.627 209 A CB -0.697 18.111 19.000 -0.319 0.000 0.818 209 A HN 0.300 nan 8.150 nan 0.000 0.445 210 F N -0.072 119.822 119.950 -0.093 0.000 2.095 210 F HA -0.129 4.392 4.527 -0.009 0.000 0.298 210 F C 2.380 178.010 175.800 -0.283 0.000 1.104 210 F CA 1.672 59.533 58.000 -0.232 0.000 1.232 210 F CB -0.986 37.679 39.000 -0.557 0.000 0.987 210 F HN 0.342 nan 8.300 nan 0.000 0.475 211 E N 0.438 120.601 120.200 -0.063 0.000 2.077 211 E HA -0.220 4.125 4.350 -0.009 0.000 0.193 211 E C 2.320 178.971 176.600 0.085 0.000 0.989 211 E CA 1.263 57.704 56.400 0.067 0.000 0.800 211 E CB -0.134 29.679 29.700 0.189 0.000 0.746 211 E HN 0.066 nan 8.360 nan 0.000 0.452 212 R N -0.015 120.525 120.500 0.067 0.000 2.066 212 R HA 0.019 4.353 4.340 -0.009 0.000 0.232 212 R C 2.320 178.662 176.300 0.071 0.000 1.131 212 R CA 1.555 57.692 56.100 0.062 0.000 0.955 212 R CB -0.646 29.678 30.300 0.040 0.000 0.851 212 R HN 0.321 nan 8.270 nan 0.000 0.432 213 L N -0.124 121.147 121.223 0.080 0.000 2.056 213 L HA -0.098 4.236 4.340 -0.009 0.000 0.207 213 L C 2.303 179.261 176.870 0.147 0.000 1.078 213 L CA 1.017 55.918 54.840 0.101 0.000 0.749 213 L CB -0.430 41.698 42.059 0.114 0.000 0.901 213 L HN 0.191 nan 8.230 nan 0.000 0.433 214 L N -0.421 120.913 121.223 0.186 0.000 2.079 214 L HA -0.242 4.092 4.340 -0.009 0.000 0.210 214 L C 2.174 179.149 176.870 0.176 0.000 1.081 214 L CA 1.096 56.076 54.840 0.234 0.000 0.752 214 L CB -0.621 41.561 42.059 0.205 0.000 0.896 214 L HN 0.287 nan 8.230 nan 0.000 0.433 215 D N -0.062 120.413 120.400 0.124 0.000 2.144 215 D HA -0.130 4.504 4.640 -0.009 0.000 0.200 215 D C 2.221 178.568 176.300 0.079 0.000 0.978 215 D CA 0.947 55.004 54.000 0.095 0.000 0.833 215 D CB 0.025 40.872 40.800 0.079 0.000 0.961 215 D HN 0.143 nan 8.370 nan 0.000 0.470 216 I N 1.018 121.632 120.570 0.073 0.000 2.226 216 I HA -0.191 3.974 4.170 -0.009 0.000 0.245 216 I C 2.449 178.594 176.117 0.046 0.000 1.100 216 I CA 0.707 62.038 61.300 0.051 0.000 1.374 216 I CB -0.930 37.095 38.000 0.042 0.000 1.057 216 I HN 0.038 nan 8.210 nan 0.000 0.413 217 I N 0.191 120.802 120.570 0.069 0.000 2.179 217 I HA -0.280 3.884 4.170 -0.009 0.000 0.242 217 I C 2.431 178.586 176.117 0.063 0.000 1.088 217 I CA 1.427 62.755 61.300 0.047 0.000 1.357 217 I CB -0.685 37.355 38.000 0.068 0.000 1.051 217 I HN 0.179 nan 8.210 nan 0.000 0.409 218 T N 0.236 114.856 114.554 0.111 0.000 2.684 218 T HA -0.210 4.134 4.350 -0.009 0.000 0.267 218 T C 1.758 176.486 174.700 0.046 0.000 1.036 218 T CA 1.578 63.732 62.100 0.090 0.000 1.148 218 T CB -0.328 68.594 68.868 0.091 0.000 0.863 218 T HN 0.409 nan 8.240 nan 0.000 0.436 219 E N 0.639 120.863 120.200 0.040 0.000 2.110 219 E HA -0.120 4.224 4.350 -0.009 0.000 0.193 219 E C 2.254 178.859 176.600 0.009 0.000 0.988 219 E CA 0.800 57.214 56.400 0.023 0.000 0.804 219 E CB -0.006 29.709 29.700 0.024 0.000 0.745 219 E HN 0.421 nan 8.360 nan 0.000 0.458 220 E N -0.602 119.600 120.200 0.003 0.000 2.482 220 E HA -0.016 4.328 4.350 -0.009 0.000 0.196 220 E C 0.973 177.556 176.600 -0.027 0.000 1.047 220 E CA 0.734 57.126 56.400 -0.014 0.000 0.869 220 E CB 0.716 30.403 29.700 -0.022 0.000 0.836 220 E HN 0.379 nan 8.360 nan 0.000 0.520 221 G N 1.767 110.554 108.800 -0.021 0.000 2.145 221 G HA2 -0.248 3.707 3.960 -0.009 0.000 0.176 221 G HA3 -0.248 3.707 3.960 -0.009 0.000 0.176 221 G C 0.310 175.175 174.900 -0.057 0.000 1.013 221 G CA 0.007 45.088 45.100 -0.032 0.000 0.689 221 G HN 0.136 nan 8.290 nan 0.000 0.506 222 N N -0.574 118.093 118.700 -0.054 0.000 1.192 222 N HA -0.293 4.441 4.740 -0.009 0.000 0.127 222 N C 2.032 177.413 175.510 -0.215 0.000 0.811 222 N CA 3.107 56.090 53.050 -0.112 0.000 0.897 222 N CB -1.539 36.935 38.487 -0.021 0.000 1.110 222 N HN 1.357 nan 8.380 nan 0.000 0.573 223 S N 0.269 115.814 115.700 -0.257 0.000 2.447 223 S HA -0.037 4.428 4.470 -0.009 0.000 0.233 223 S C 0.795 175.259 174.600 -0.226 0.000 1.006 223 S CA 1.430 59.462 58.200 -0.280 0.000 0.957 223 S CB -0.097 62.914 63.200 -0.315 0.000 0.773 223 S HN 0.473 nan 8.310 nan 0.000 0.507 224 D N 1.716 122.000 120.400 -0.193 0.000 2.363 224 D HA 0.085 4.719 4.640 -0.009 0.000 0.226 224 D C 1.348 177.582 176.300 -0.109 0.000 1.020 224 D CA 0.637 54.545 54.000 -0.153 0.000 0.892 224 D CB -0.261 40.460 40.800 -0.131 0.000 0.900 224 D HN 0.627 nan 8.370 nan 0.000 0.531 225 G N 0.210 108.944 108.800 -0.111 0.000 3.383 225 G HA2 0.367 4.321 3.960 -0.009 0.000 0.251 225 G HA3 0.367 4.321 3.960 -0.009 0.000 0.251 225 G C 0.995 175.853 174.900 -0.070 0.000 1.203 225 G CA 0.209 45.260 45.100 -0.081 0.000 0.852 225 G HN 0.413 nan 8.290 nan 0.000 0.531 226 G N 0.184 108.941 108.800 -0.072 0.000 2.645 226 G HA2 -0.296 3.658 3.960 -0.009 0.000 0.246 226 G HA3 -0.296 3.658 3.960 -0.009 0.000 0.246 226 G C 1.015 175.886 174.900 -0.048 0.000 1.322 226 G CA -0.047 45.023 45.100 -0.051 0.000 0.898 226 G HN 0.299 nan 8.290 nan 0.000 0.573 227 I N 0.030 120.581 120.570 -0.031 0.000 2.394 227 I HA -0.121 4.044 4.170 -0.009 0.000 0.251 227 I C 2.855 178.958 176.117 -0.024 0.000 1.136 227 I CA 1.447 62.733 61.300 -0.024 0.000 1.425 227 I CB -0.400 37.595 38.000 -0.009 0.000 1.079 227 I HN 0.404 nan 8.210 nan 0.000 0.425 228 V N 0.453 120.354 119.914 -0.021 0.000 2.407 228 V HA -0.218 3.897 4.120 -0.009 0.000 0.248 228 V C 2.360 178.434 176.094 -0.034 0.000 1.055 228 V CA 1.793 64.083 62.300 -0.017 0.000 1.049 228 V CB 0.070 31.888 31.823 -0.008 0.000 0.662 228 V HN 0.212 nan 8.190 nan 0.000 0.455 229 V N 0.249 120.128 119.914 -0.058 0.000 2.343 229 V HA -0.269 3.846 4.120 -0.009 0.000 0.247 229 V C 2.472 178.501 176.094 -0.108 0.000 1.051 229 V CA 2.480 64.722 62.300 -0.097 0.000 1.036 229 V CB -0.701 31.040 31.823 -0.137 0.000 0.654 229 V HN 0.766 nan 8.190 nan 0.000 0.451 230 E N 0.111 120.258 120.200 -0.088 0.000 2.058 230 E HA -0.299 4.046 4.350 -0.009 0.000 0.194 230 E C 1.877 178.447 176.600 -0.051 0.000 0.997 230 E CA 1.838 58.194 56.400 -0.073 0.000 0.801 230 E CB -0.138 29.533 29.700 -0.050 0.000 0.746 230 E HN 0.600 nan 8.360 nan 0.000 0.450 231 D N 0.071 120.450 120.400 -0.034 0.000 2.144 231 D HA -0.156 4.479 4.640 -0.009 0.000 0.199 231 D C 2.090 178.379 176.300 -0.017 0.000 0.984 231 D CA 1.115 55.103 54.000 -0.019 0.000 0.834 231 D CB -0.521 40.274 40.800 -0.008 0.000 0.955 231 D HN 0.316 nan 8.370 nan 0.000 0.465 232 C N 0.446 119.732 119.300 -0.022 0.000 2.429 232 C HA -0.049 4.406 4.460 -0.009 0.000 0.277 232 C C 2.932 177.918 174.990 -0.007 0.000 1.262 232 C CA 0.131 59.145 59.018 -0.007 0.000 1.733 232 C CB -1.066 26.673 27.740 -0.002 0.000 2.010 232 C HN 0.346 nan 8.230 nan 0.000 0.483 233 L N 0.347 121.536 121.223 -0.056 0.000 2.083 233 L HA -0.130 4.205 4.340 -0.009 0.000 0.209 233 L C 2.538 179.395 176.870 -0.022 0.000 1.083 233 L CA 1.098 55.896 54.840 -0.070 0.000 0.752 233 L CB -0.565 41.398 42.059 -0.161 0.000 0.899 233 L HN 0.284 nan 8.230 nan 0.000 0.433 234 I N -0.323 120.235 120.570 -0.020 0.000 2.226 234 I HA -0.261 3.903 4.170 -0.009 0.000 0.245 234 I C 2.492 178.612 176.117 0.004 0.000 1.100 234 I CA 1.343 62.639 61.300 -0.005 0.000 1.374 234 I CB -0.777 37.218 38.000 -0.008 0.000 1.057 234 I HN 0.278 nan 8.210 nan 0.000 0.413 235 L N 0.885 122.112 121.223 0.006 0.000 2.056 235 L HA -0.125 4.210 4.340 -0.009 0.000 0.207 235 L C 2.337 179.226 176.870 0.032 0.000 1.078 235 L CA 1.662 56.507 54.840 0.008 0.000 0.749 235 L CB -0.752 41.308 42.059 0.001 0.000 0.901 235 L HN 0.100 nan 8.230 nan 0.000 0.433 236 L N -0.881 120.382 121.223 0.067 0.000 2.083 236 L HA -0.240 4.095 4.340 -0.009 0.000 0.209 236 L C 2.651 179.571 176.870 0.082 0.000 1.083 236 L CA 1.559 56.478 54.840 0.132 0.000 0.752 236 L CB -0.463 41.700 42.059 0.174 0.000 0.899 236 L HN 0.462 nan 8.230 nan 0.000 0.433 237 Q N -0.007 119.816 119.800 0.039 0.000 2.079 237 Q HA -0.190 4.145 4.340 -0.009 0.000 0.200 237 Q C 1.961 177.972 176.000 0.018 0.000 0.974 237 Q CA 1.429 57.244 55.803 0.019 0.000 0.840 237 Q CB 0.149 28.895 28.738 0.012 0.000 0.898 237 Q HN 0.434 nan 8.270 nan 0.000 0.430 238 N N 0.331 119.040 118.700 0.016 0.000 2.149 238 N HA -0.148 4.587 4.740 -0.009 0.000 0.188 238 N C 1.547 177.064 175.510 0.011 0.000 1.019 238 N CA 1.027 54.081 53.050 0.007 0.000 0.857 238 N CB -0.162 38.322 38.487 -0.004 0.000 0.997 238 N HN 0.279 nan 8.380 nan 0.000 0.426 239 L N -0.407 120.834 121.223 0.031 0.000 2.291 239 L HA -0.001 4.334 4.340 -0.009 0.000 0.214 239 L C 1.616 178.555 176.870 0.115 0.000 1.120 239 L CA 0.665 55.534 54.840 0.049 0.000 0.799 239 L CB -0.076 42.009 42.059 0.042 0.000 0.925 239 L HN 0.148 nan 8.230 nan 0.000 0.446 240 L N -1.274 119.998 121.223 0.082 0.000 2.467 240 L HA 0.091 4.425 4.340 -0.009 0.000 0.213 240 L C 1.155 178.030 176.870 0.008 0.000 1.053 240 L CA -0.013 54.847 54.840 0.035 0.000 0.847 240 L CB 0.127 42.138 42.059 -0.081 0.000 1.075 240 L HN 0.007 nan 8.230 nan 0.000 0.479 241 K N 1.605 122.008 120.400 0.004 0.000 2.416 241 K HA -0.045 4.269 4.320 -0.009 0.000 0.283 241 K C 0.001 176.604 176.600 0.005 0.000 1.037 241 K CA 0.102 56.389 56.287 -0.000 0.000 0.995 241 K CB 0.242 32.743 32.500 0.000 0.000 0.938 241 K HN 0.157 nan 8.250 nan 0.000 0.475 242 N N 1.850 120.553 118.700 0.005 0.000 2.714 242 N HA -0.252 4.483 4.740 -0.009 0.000 0.250 242 N C -1.248 174.270 175.510 0.013 0.000 1.117 242 N CA 0.933 53.988 53.050 0.008 0.000 0.719 242 N CB -1.262 37.228 38.487 0.006 0.000 1.081 242 N HN 0.665 nan 8.380 nan 0.000 0.557 243 N N 0.783 119.495 118.700 0.019 0.000 2.682 243 N HA 0.238 4.973 4.740 -0.009 0.000 0.252 243 N C 0.504 176.039 175.510 0.042 0.000 1.081 243 N CA -0.435 52.632 53.050 0.028 0.000 0.844 243 N CB 0.433 38.939 38.487 0.031 0.000 1.167 243 N HN -0.036 nan 8.380 nan 0.000 0.523 244 N N 0.445 119.167 118.700 0.038 0.000 2.120 244 N HA -0.162 4.573 4.740 -0.009 0.000 0.188 244 N C 1.678 177.228 175.510 0.067 0.000 1.024 244 N CA 1.000 54.078 53.050 0.047 0.000 0.852 244 N CB -0.045 38.465 38.487 0.039 0.000 1.003 244 N HN 0.553 nan 8.380 nan 0.000 0.424 245 S N 0.877 116.614 115.700 0.062 0.000 2.368 245 S HA -0.044 4.421 4.470 -0.009 0.000 0.224 245 S C 1.643 176.315 174.600 0.120 0.000 1.029 245 S CA 0.976 59.221 58.200 0.075 0.000 0.988 245 S CB -0.119 63.105 63.200 0.039 0.000 0.838 245 S HN 0.181 nan 8.310 nan 0.000 0.462 246 N N 1.250 120.019 118.700 0.115 0.000 2.270 246 N HA 0.038 4.772 4.740 -0.009 0.000 0.181 246 N C 1.937 177.626 175.510 0.299 0.000 1.016 246 N CA 1.026 54.216 53.050 0.234 0.000 0.870 246 N CB -0.433 38.187 38.487 0.221 0.000 0.979 246 N HN 0.618 nan 8.380 nan 0.000 0.431 247 Q N 0.125 120.025 119.800 0.166 0.000 2.084 247 Q HA -0.067 4.268 4.340 -0.009 0.000 0.202 247 Q C 1.750 177.854 176.000 0.174 0.000 0.978 247 Q CA 0.825 56.699 55.803 0.118 0.000 0.844 247 Q CB -0.157 28.612 28.738 0.052 0.000 0.898 247 Q HN 0.453 nan 8.270 nan 0.000 0.426 248 N N 0.207 119.004 118.700 0.162 0.000 2.120 248 N HA -0.173 4.562 4.740 -0.009 0.000 0.188 248 N C 1.674 177.295 175.510 0.185 0.000 1.024 248 N CA 0.910 54.046 53.050 0.144 0.000 0.852 248 N CB -0.071 38.488 38.487 0.119 0.000 1.003 248 N HN 0.155 nan 8.380 nan 0.000 0.424 249 F N 0.812 120.840 119.950 0.130 0.000 2.134 249 F HA -0.150 4.372 4.527 -0.008 0.000 0.299 249 F C 2.175 178.105 175.800 0.217 0.000 1.097 249 F CA 1.150 59.252 58.000 0.171 0.000 1.264 249 F CB -0.592 38.531 39.000 0.204 0.000 1.001 249 F HN -0.027 nan 8.300 nan 0.000 0.479 250 F N 1.342 121.421 119.950 0.214 0.000 2.091 250 F HA -0.274 4.247 4.527 -0.009 0.000 0.299 250 F C 2.599 178.394 175.800 -0.008 0.000 1.103 250 F CA 2.459 60.427 58.000 -0.053 0.000 1.228 250 F CB -0.560 38.210 39.000 -0.382 0.000 0.984 250 F HN -0.065 nan 8.300 nan 0.000 0.477 251 K N -0.059 120.418 120.400 0.129 0.000 2.031 251 K HA -0.153 4.161 4.320 -0.009 0.000 0.205 251 K C 1.805 178.330 176.600 -0.126 0.000 1.049 251 K CA 1.560 57.854 56.287 0.011 0.000 0.939 251 K CB -0.205 32.330 32.500 0.058 0.000 0.717 251 K HN 0.152 nan 8.250 nan 0.000 0.438 252 E N -0.199 119.925 120.200 -0.127 0.000 2.418 252 E HA -0.056 4.288 4.350 -0.009 0.000 0.197 252 E C 1.547 177.944 176.600 -0.337 0.000 1.026 252 E CA 0.782 57.069 56.400 -0.190 0.000 0.862 252 E CB 0.257 29.874 29.700 -0.139 0.000 0.799 252 E HN 0.528 nan 8.360 nan 0.000 0.518 253 G N 0.331 108.851 108.800 -0.467 0.000 3.088 253 G HA2 -0.013 3.942 3.960 -0.009 0.000 0.212 253 G HA3 -0.013 3.942 3.960 -0.009 0.000 0.212 253 G C 0.420 174.726 174.900 -0.990 0.000 1.173 253 G CA 0.152 44.808 45.100 -0.740 0.000 0.779 253 G HN 0.054 nan 8.290 nan 0.000 0.540 254 S N -1.335 113.983 115.700 -0.636 0.000 3.587 254 S HA -0.218 4.247 4.470 -0.009 0.000 0.337 254 S C 0.859 175.078 174.600 -0.635 0.000 1.119 254 S CA 0.856 58.744 58.200 -0.520 0.000 0.976 254 S CB -1.850 61.109 63.200 -0.402 0.000 0.922 254 S HN 0.595 nan 8.310 nan 0.000 0.503 255 Y N -0.343 119.621 120.300 -0.560 0.000 2.517 255 Y HA 0.280 4.824 4.550 -0.009 0.000 0.281 255 Y C 2.056 177.577 175.900 -0.632 0.000 1.125 255 Y CA -0.013 57.618 58.100 -0.781 0.000 1.283 255 Y CB -0.271 37.284 38.460 -1.508 0.000 1.042 255 Y HN 0.454 nan 8.280 nan 0.000 0.547 256 I N 0.645 121.044 120.570 -0.285 0.000 2.286 256 I HA -0.358 3.806 4.170 -0.009 0.000 0.248 256 I C 2.580 178.631 176.117 -0.110 0.000 1.115 256 I CA 1.687 62.973 61.300 -0.024 0.000 1.392 256 I CB -0.485 37.533 38.000 0.030 0.000 1.065 256 I HN 0.345 nan 8.210 nan 0.000 0.418 257 Q N 0.866 120.575 119.800 -0.151 0.000 2.234 257 Q HA -0.219 4.115 4.340 -0.009 0.000 0.206 257 Q C 1.856 177.745 176.000 -0.185 0.000 0.980 257 Q CA 1.123 56.837 55.803 -0.149 0.000 0.869 257 Q CB -0.370 28.282 28.738 -0.143 0.000 0.912 257 Q HN 0.411 nan 8.270 nan 0.000 0.436 258 R N 0.292 120.661 120.500 -0.219 0.000 2.280 258 R HA 0.099 4.434 4.340 -0.009 0.000 0.207 258 R C 1.867 177.795 176.300 -0.621 0.000 1.043 258 R CA 0.866 56.801 56.100 -0.276 0.000 1.006 258 R CB -0.273 29.935 30.300 -0.153 0.000 0.885 258 R HN 0.494 nan 8.270 nan 0.000 0.467 259 M N -0.064 119.129 119.600 -0.679 0.000 2.492 259 M HA -0.027 4.448 4.480 -0.009 0.000 0.262 259 M C 2.163 178.189 176.300 -0.456 0.000 1.090 259 M CA 1.028 55.678 55.300 -1.083 0.000 1.110 259 M CB -0.076 32.208 32.600 -0.526 0.000 1.407 259 M HN -0.055 nan 8.290 nan 0.000 0.470 260 K N 1.277 121.553 120.400 -0.207 0.000 2.026 260 K HA -0.122 4.192 4.320 -0.009 0.000 0.208 260 K C -0.978 175.633 176.600 0.018 0.000 1.048 260 K CA 1.352 57.642 56.287 0.006 0.000 0.929 260 K CB -0.859 31.624 32.500 -0.028 0.000 0.713 260 K HN 0.110 nan 8.250 nan 0.000 0.439 261 P HA -0.153 nan 4.420 nan 0.000 0.221 261 P C 0.454 177.791 177.300 0.062 0.000 1.145 261 P CA 0.915 64.015 63.100 0.001 0.000 0.795 261 P CB -0.164 31.530 31.700 -0.010 0.000 0.775 262 W N -1.255 119.899 121.300 -0.245 0.000 2.374 262 W HA -0.024 4.631 4.660 -0.009 0.000 0.288 262 W C 1.261 177.432 176.519 -0.580 0.000 1.218 262 W CA 0.844 57.884 57.345 -0.508 0.000 1.245 262 W CB -1.576 27.360 29.460 -0.874 0.000 1.126 262 W HN 0.001 nan 8.180 nan 0.000 0.545 263 F N -0.097 119.998 119.950 0.240 0.000 2.641 263 F HA 0.181 4.703 4.527 -0.009 0.000 0.302 263 F C 0.488 176.361 175.800 0.120 0.000 1.098 263 F CA -0.411 57.688 58.000 0.165 0.000 1.318 263 F CB -0.808 38.286 39.000 0.156 0.000 1.035 263 F HN -0.236 nan 8.300 nan 0.000 0.551 264 E N 2.015 122.324 120.200 0.183 0.000 1.892 264 E HA 0.245 4.590 4.350 -0.009 0.000 0.271 264 E C -0.569 176.093 176.600 0.104 0.000 1.146 264 E CA -0.368 56.110 56.400 0.130 0.000 1.096 264 E CB 0.446 30.195 29.700 0.083 0.000 1.155 264 E HN 0.133 nan 8.360 nan 0.000 0.458 265 V N -0.827 119.178 119.914 0.152 0.000 2.444 265 V HA 0.885 5.000 4.120 -0.009 0.000 0.294 265 V C 0.579 176.802 176.094 0.214 0.000 1.022 265 V CA -0.312 62.078 62.300 0.150 0.000 0.850 265 V CB 1.483 33.404 31.823 0.162 0.000 0.992 265 V HN 0.448 nan 8.190 nan 0.000 0.426 266 G N 3.366 112.274 108.800 0.180 0.000 3.755 266 G HA2 -0.015 3.940 3.960 -0.009 0.000 0.180 266 G HA3 -0.015 3.940 3.960 -0.009 0.000 0.180 266 G C 0.603 175.585 174.900 0.137 0.000 1.374 266 G CA 0.696 45.893 45.100 0.162 0.000 0.860 266 G HN 0.748 nan 8.290 nan 0.000 0.743 267 D N 0.930 121.395 120.400 0.109 0.000 2.182 267 D HA -0.010 4.624 4.640 -0.009 0.000 0.201 267 D C 1.773 178.141 176.300 0.114 0.000 0.986 267 D CA 1.583 55.636 54.000 0.088 0.000 0.847 267 D CB 0.325 41.161 40.800 0.060 0.000 0.942 267 D HN 0.590 nan 8.370 nan 0.000 0.467 268 E N -0.744 119.560 120.200 0.173 0.000 3.280 268 E HA 0.191 4.536 4.350 -0.009 0.000 0.487 268 E C 0.107 176.862 176.600 0.260 0.000 0.261 268 E CA -0.203 56.340 56.400 0.239 0.000 2.810 268 E CB 0.280 30.176 29.700 0.326 0.000 2.284 268 E HN -0.017 nan 8.360 nan 0.000 0.409 269 N N -0.472 118.465 118.700 0.395 0.000 3.022 269 N HA -0.126 4.609 4.740 -0.009 0.000 0.246 269 N C -0.562 174.906 175.510 -0.070 0.000 1.119 269 N CA 0.863 53.944 53.050 0.050 0.000 0.681 269 N CB -1.305 37.210 38.487 0.046 0.000 1.037 269 N HN 0.375 nan 8.380 nan 0.000 0.561 270 S N -3.056 112.631 115.700 -0.021 0.000 4.997 270 S HA 0.186 4.651 4.470 -0.009 0.000 0.169 270 S C 0.970 175.594 174.600 0.039 0.000 1.122 270 S CA 0.341 58.521 58.200 -0.033 0.000 1.305 270 S CB 0.202 63.408 63.200 0.010 0.000 1.806 270 S HN 0.337 nan 8.310 nan 0.000 0.547 271 G N 1.745 110.637 108.800 0.154 0.000 3.714 271 G HA2 0.453 4.407 3.960 -0.009 0.000 0.276 271 G HA3 0.453 4.407 3.960 -0.009 0.000 0.276 271 G C -0.947 174.150 174.900 0.329 0.000 1.058 271 G CA -0.490 44.718 45.100 0.180 0.000 1.700 271 G HN 0.262 nan 8.290 nan 0.000 0.605 272 W N 2.175 123.486 121.300 0.018 0.000 2.345 272 W HA 0.425 5.080 4.660 -0.009 0.000 0.308 272 W C 1.164 177.691 176.519 0.013 0.000 1.273 272 W CA -1.500 55.856 57.345 0.018 0.000 1.243 272 W CB 0.758 30.234 29.460 0.026 0.000 1.260 272 W HN 0.424 nan 8.180 nan 0.000 0.509 273 S N 1.774 117.569 115.700 0.159 0.000 2.589 273 S HA 0.358 4.822 4.470 -0.009 0.000 0.265 273 S C 1.239 175.897 174.600 0.096 0.000 1.342 273 S CA -0.007 58.247 58.200 0.090 0.000 1.005 273 S CB 1.252 64.468 63.200 0.027 0.000 0.909 273 S HN 0.602 nan 8.310 nan 0.000 0.555 274 A N 0.810 123.670 122.820 0.067 0.000 1.933 274 A HA -0.094 4.221 4.320 -0.009 0.000 0.218 274 A C 2.238 179.843 177.584 0.034 0.000 1.175 274 A CA 1.799 53.870 52.037 0.056 0.000 0.628 274 A CB -1.134 17.886 19.000 0.034 0.000 0.814 274 A HN 0.869 nan 8.150 nan 0.000 0.444 275 Q N 0.167 119.974 119.800 0.011 0.000 2.167 275 Q HA -0.112 4.222 4.340 -0.009 0.000 0.202 275 Q C 1.976 177.955 176.000 -0.036 0.000 0.970 275 Q CA 2.094 57.888 55.803 -0.015 0.000 0.855 275 Q CB -0.296 28.426 28.738 -0.026 0.000 0.911 275 Q HN 0.687 nan 8.270 nan 0.000 0.438 276 K N -0.941 119.431 120.400 -0.047 0.000 2.097 276 K HA -0.085 4.229 4.320 -0.009 0.000 0.205 276 K C 1.744 178.312 176.600 -0.054 0.000 1.050 276 K CA 1.287 57.498 56.287 -0.126 0.000 0.938 276 K CB 0.035 32.385 32.500 -0.249 0.000 0.718 276 K HN 0.135 nan 8.250 nan 0.000 0.442 277 V N 1.033 120.996 119.914 0.082 0.000 2.307 277 V HA -0.229 3.886 4.120 -0.009 0.000 0.245 277 V C 2.175 178.344 176.094 0.125 0.000 1.045 277 V CA 2.272 64.684 62.300 0.187 0.000 1.024 277 V CB -0.628 31.323 31.823 0.212 0.000 0.651 277 V HN 0.460 nan 8.190 nan 0.000 0.449 278 T N 0.543 115.131 114.554 0.057 0.000 2.684 278 T HA -0.201 4.143 4.350 -0.009 0.000 0.267 278 T C 1.831 176.549 174.700 0.029 0.000 1.036 278 T CA 1.846 63.966 62.100 0.032 0.000 1.148 278 T CB -0.407 68.458 68.868 -0.005 0.000 0.863 278 T HN 0.437 nan 8.240 nan 0.000 0.436 279 N N 1.099 119.779 118.700 -0.032 0.000 2.084 279 N HA -0.022 4.712 4.740 -0.009 0.000 0.190 279 N C 1.700 177.148 175.510 -0.102 0.000 1.030 279 N CA 0.720 53.705 53.050 -0.107 0.000 0.849 279 N CB -0.747 37.633 38.487 -0.178 0.000 1.012 279 N HN 0.160 nan 8.380 nan 0.000 0.423 280 L N 1.117 122.316 121.223 -0.040 0.000 2.083 280 L HA -0.120 4.214 4.340 -0.009 0.000 0.209 280 L C 2.269 179.230 176.870 0.152 0.000 1.083 280 L CA 1.573 56.436 54.840 0.039 0.000 0.752 280 L CB -0.874 41.255 42.059 0.116 0.000 0.899 280 L HN 0.369 nan 8.230 nan 0.000 0.433 281 H N -0.687 118.431 119.070 0.080 0.000 2.319 281 H HA -0.149 4.402 4.556 -0.009 0.000 0.299 281 H C 2.240 177.602 175.328 0.057 0.000 1.092 281 H CA 2.163 58.261 56.048 0.083 0.000 1.302 281 H CB 0.113 29.910 29.762 0.059 0.000 1.373 281 H HN 0.304 nan 8.280 nan 0.000 0.497 282 L N -0.111 121.190 121.223 0.131 0.000 2.083 282 L HA -0.219 4.115 4.340 -0.009 0.000 0.209 282 L C 2.975 179.842 176.870 -0.004 0.000 1.083 282 L CA 1.034 55.900 54.840 0.043 0.000 0.752 282 L CB -0.314 41.735 42.059 -0.016 0.000 0.899 282 L HN 0.267 nan 8.230 nan 0.000 0.433 283 M N -0.680 118.887 119.600 -0.055 0.000 2.086 283 M HA -0.235 4.240 4.480 -0.009 0.000 0.261 283 M C 2.265 178.810 176.300 0.408 0.000 1.067 283 M CA 1.828 57.133 55.300 0.008 0.000 1.116 283 M CB -0.392 32.058 32.600 -0.251 0.000 1.348 283 M HN 0.185 nan 8.290 nan 0.000 0.407 284 L N -0.389 121.048 121.223 0.356 0.000 2.083 284 L HA -0.252 4.083 4.340 -0.009 0.000 0.209 284 L C 2.538 179.452 176.870 0.073 0.000 1.083 284 L CA 1.380 56.341 54.840 0.202 0.000 0.752 284 L CB -0.709 41.368 42.059 0.031 0.000 0.899 284 L HN 0.394 nan 8.230 nan 0.000 0.433 285 Q N -0.264 119.546 119.800 0.016 0.000 2.170 285 Q HA -0.174 4.160 4.340 -0.009 0.000 0.203 285 Q C 2.381 178.405 176.000 0.040 0.000 0.976 285 Q CA 1.177 56.981 55.803 0.002 0.000 0.858 285 Q CB -0.088 28.653 28.738 0.005 0.000 0.907 285 Q HN 0.540 nan 8.270 nan 0.000 0.433 286 L N -0.346 120.934 121.223 0.094 0.000 2.056 286 L HA -0.170 4.165 4.340 -0.009 0.000 0.207 286 L C 2.308 179.227 176.870 0.081 0.000 1.078 286 L CA 0.683 55.579 54.840 0.092 0.000 0.749 286 L CB -0.383 41.794 42.059 0.197 0.000 0.901 286 L HN 0.091 nan 8.230 nan 0.000 0.433 287 V N -0.081 119.931 119.914 0.164 0.000 2.332 287 V HA -0.311 3.804 4.120 -0.009 0.000 0.248 287 V C 2.594 178.705 176.094 0.029 0.000 1.055 287 V CA 1.812 64.175 62.300 0.104 0.000 1.038 287 V CB -0.658 31.229 31.823 0.105 0.000 0.651 287 V HN 0.424 nan 8.190 nan 0.000 0.450 288 R N -0.590 119.920 120.500 0.018 0.000 2.092 288 R HA -0.097 4.237 4.340 -0.009 0.000 0.231 288 R C 2.247 178.542 176.300 -0.008 0.000 1.119 288 R CA 1.191 57.289 56.100 -0.003 0.000 0.970 288 R CB -0.525 29.770 30.300 -0.008 0.000 0.864 288 R HN 0.406 nan 8.270 nan 0.000 0.440 289 V N 1.705 121.612 119.914 -0.012 0.000 2.332 289 V HA -0.253 3.861 4.120 -0.009 0.000 0.248 289 V C 2.246 178.323 176.094 -0.028 0.000 1.055 289 V CA 1.725 64.010 62.300 -0.024 0.000 1.038 289 V CB -0.378 31.421 31.823 -0.040 0.000 0.651 289 V HN 0.321 nan 8.190 nan 0.000 0.450 290 L N 0.274 121.475 121.223 -0.036 0.000 2.201 290 L HA -0.050 4.285 4.340 -0.009 0.000 0.212 290 L C 1.762 178.631 176.870 -0.002 0.000 1.105 290 L CA 1.178 56.004 54.840 -0.024 0.000 0.775 290 L CB -0.342 41.705 42.059 -0.020 0.000 0.913 290 L HN 0.492 nan 8.230 nan 0.000 0.440 291 V N -5.022 114.890 119.914 -0.005 0.000 3.085 291 V HA 0.218 4.333 4.120 -0.009 0.000 0.345 291 V C 0.860 176.949 176.094 -0.009 0.000 1.397 291 V CA -0.585 61.712 62.300 -0.005 0.000 1.165 291 V CB 0.118 31.935 31.823 -0.010 0.000 1.153 291 V HN 0.195 nan 8.190 nan 0.000 0.495 292 S N 2.141 117.837 115.700 -0.007 0.000 2.552 292 S HA 0.207 4.671 4.470 -0.009 0.000 0.289 292 S C -0.889 173.707 174.600 -0.007 0.000 1.304 292 S CA -0.097 58.099 58.200 -0.008 0.000 1.063 292 S CB 1.102 64.296 63.200 -0.009 0.000 0.848 292 S HN 0.408 nan 8.310 nan 0.000 0.499 293 P HA -0.022 nan 4.420 nan 0.000 0.222 293 P C 0.579 177.874 177.300 -0.007 0.000 1.147 293 P CA 0.820 63.909 63.100 -0.018 0.000 0.790 293 P CB 0.041 31.713 31.700 -0.047 0.000 0.780 294 N N -1.365 117.329 118.700 -0.010 0.000 2.467 294 N HA 0.007 4.741 4.740 -0.009 0.000 0.184 294 N C 0.467 175.981 175.510 0.007 0.000 1.106 294 N CA 0.377 53.426 53.050 -0.002 0.000 0.892 294 N CB -0.532 37.950 38.487 -0.008 0.000 0.969 294 N HN 0.192 nan 8.380 nan 0.000 0.454 295 N N 2.080 120.785 118.700 0.008 0.000 2.340 295 N HA 0.124 4.858 4.740 -0.009 0.000 0.236 295 N C -2.340 173.182 175.510 0.020 0.000 1.296 295 N CA -0.795 52.263 53.050 0.014 0.000 0.896 295 N CB -0.418 38.077 38.487 0.014 0.000 1.127 295 N HN 0.009 nan 8.380 nan 0.000 0.442 296 P HA 0.080 nan 4.420 nan 0.000 0.265 296 P C -1.703 175.611 177.300 0.025 0.000 1.193 296 P CA -0.702 62.413 63.100 0.024 0.000 0.765 296 P CB 0.154 31.869 31.700 0.025 0.000 0.823 297 P HA -0.199 nan 4.420 nan 0.000 0.216 297 P C 1.594 178.907 177.300 0.023 0.000 1.153 297 P CA 1.977 65.094 63.100 0.028 0.000 0.858 297 P CB -0.349 31.369 31.700 0.030 0.000 0.789 298 G N -0.397 108.415 108.800 0.020 0.000 2.450 298 G HA2 -0.237 3.717 3.960 -0.009 0.000 0.220 298 G HA3 -0.237 3.717 3.960 -0.009 0.000 0.220 298 G C 1.591 176.502 174.900 0.019 0.000 1.130 298 G CA 0.946 46.056 45.100 0.017 0.000 0.760 298 G HN 0.352 nan 8.290 nan 0.000 0.557 299 A N 0.235 123.069 122.820 0.023 0.000 1.854 299 A HA 0.033 4.347 4.320 -0.009 0.000 0.214 299 A C 2.518 180.116 177.584 0.024 0.000 1.192 299 A CA 2.312 54.365 52.037 0.027 0.000 0.611 299 A CB -0.976 18.042 19.000 0.030 0.000 0.832 299 A HN 0.256 nan 8.150 nan 0.000 0.442 300 T N 0.233 114.800 114.554 0.020 0.000 2.684 300 T HA -0.130 4.215 4.350 -0.009 0.000 0.267 300 T C 2.284 176.993 174.700 0.015 0.000 1.036 300 T CA 1.840 63.950 62.100 0.016 0.000 1.148 300 T CB -0.339 68.538 68.868 0.014 0.000 0.863 300 T HN 0.467 nan 8.240 nan 0.000 0.436 301 S N 0.912 116.620 115.700 0.014 0.000 2.370 301 S HA -0.122 4.343 4.470 -0.009 0.000 0.226 301 S C 2.369 176.974 174.600 0.008 0.000 1.033 301 S CA 1.359 59.564 58.200 0.008 0.000 1.011 301 S CB -0.487 62.715 63.200 0.005 0.000 0.852 301 S HN 0.526 nan 8.310 nan 0.000 0.457 302 S N 0.070 115.777 115.700 0.012 0.000 2.383 302 S HA -0.110 4.354 4.470 -0.009 0.000 0.227 302 S C 2.067 176.678 174.600 0.018 0.000 1.026 302 S CA 1.171 59.378 58.200 0.012 0.000 0.981 302 S CB -0.625 62.582 63.200 0.012 0.000 0.818 302 S HN 0.648 nan 8.310 nan 0.000 0.472 303 C N 1.343 120.657 119.300 0.024 0.000 2.440 303 C HA 0.009 4.463 4.460 -0.009 0.000 0.278 303 C C 2.781 177.790 174.990 0.031 0.000 1.295 303 C CA 0.601 59.638 59.018 0.032 0.000 1.738 303 C CB -1.449 26.314 27.740 0.037 0.000 1.987 303 C HN 0.670 nan 8.230 nan 0.000 0.492 304 Q N 0.782 120.596 119.800 0.024 0.000 2.084 304 Q HA -0.245 4.090 4.340 -0.009 0.000 0.202 304 Q C 2.304 178.334 176.000 0.050 0.000 0.978 304 Q CA 1.642 57.461 55.803 0.027 0.000 0.844 304 Q CB -0.221 28.523 28.738 0.010 0.000 0.898 304 Q HN 0.669 nan 8.270 nan 0.000 0.426 305 K N 0.501 120.924 120.400 0.037 0.000 2.026 305 K HA -0.165 4.150 4.320 -0.009 0.000 0.208 305 K C 2.043 178.697 176.600 0.090 0.000 1.048 305 K CA 1.259 57.580 56.287 0.057 0.000 0.929 305 K CB -0.174 32.341 32.500 0.024 0.000 0.713 305 K HN 0.175 nan 8.250 nan 0.000 0.439 306 A N 1.004 123.852 122.820 0.047 0.000 1.933 306 A HA -0.148 4.167 4.320 -0.009 0.000 0.218 306 A C 2.111 179.707 177.584 0.021 0.000 1.175 306 A CA 1.654 53.705 52.037 0.023 0.000 0.628 306 A CB -0.449 18.551 19.000 0.001 0.000 0.814 306 A HN 0.377 nan 8.150 nan 0.000 0.444 307 M N -2.227 117.396 119.600 0.039 0.000 2.229 307 M HA -0.048 4.426 4.480 -0.009 0.000 0.264 307 M C 2.057 178.369 176.300 0.020 0.000 1.063 307 M CA 1.472 56.785 55.300 0.021 0.000 1.114 307 M CB -0.318 32.300 32.600 0.029 0.000 1.387 307 M HN 0.566 nan 8.290 nan 0.000 0.420 308 F N 1.254 121.159 119.950 -0.075 0.000 2.113 308 F HA -0.200 4.322 4.527 -0.009 0.000 0.297 308 F C 2.346 178.083 175.800 -0.105 0.000 1.103 308 F CA 1.690 59.624 58.000 -0.110 0.000 1.248 308 F CB -0.241 38.709 39.000 -0.083 0.000 0.999 308 F HN 0.086 nan 8.300 nan 0.000 0.475 309 Q N -0.564 119.248 119.800 0.021 0.000 2.170 309 Q HA -0.212 4.122 4.340 -0.009 0.000 0.203 309 Q C 2.342 178.244 176.000 -0.164 0.000 0.976 309 Q CA 1.830 57.589 55.803 -0.073 0.000 0.858 309 Q CB -0.469 28.279 28.738 0.016 0.000 0.907 309 Q HN 0.679 nan 8.270 nan 0.000 0.433 310 C N -2.490 116.725 119.300 -0.142 0.000 2.697 310 C HA 0.585 5.039 4.460 -0.009 0.000 0.267 310 C C 1.526 176.416 174.990 -0.166 0.000 1.278 310 C CA -0.076 58.859 59.018 -0.138 0.000 1.708 310 C CB -0.503 27.172 27.740 -0.108 0.000 1.860 310 C HN 0.608 nan 8.230 nan 0.000 0.589 311 G N 1.045 109.701 108.800 -0.240 0.000 2.141 311 G HA2 -0.257 3.698 3.960 -0.009 0.000 0.231 311 G HA3 -0.257 3.698 3.960 -0.009 0.000 0.231 311 G C 0.565 175.369 174.900 -0.160 0.000 0.984 311 G CA 0.385 45.332 45.100 -0.255 0.000 0.660 311 G HN 0.585 nan 8.290 nan 0.000 0.525 312 L N -0.388 120.768 121.223 -0.112 0.000 2.027 312 L HA 0.028 4.363 4.340 -0.009 0.000 0.206 312 L C 2.801 179.636 176.870 -0.059 0.000 1.074 312 L CA 2.414 57.229 54.840 -0.041 0.000 0.745 312 L CB -0.296 41.755 42.059 -0.014 0.000 0.898 312 L HN 0.427 nan 8.230 nan 0.000 0.433 313 L N 0.190 121.366 121.223 -0.078 0.000 2.042 313 L HA -0.276 4.058 4.340 -0.009 0.000 0.210 313 L C 2.397 179.246 176.870 -0.035 0.000 1.076 313 L CA 1.826 56.643 54.840 -0.039 0.000 0.749 313 L CB -0.611 41.456 42.059 0.012 0.000 0.893 313 L HN 0.279 nan 8.230 nan 0.000 0.432 314 Q N -0.828 118.859 119.800 -0.189 0.000 2.079 314 Q HA -0.234 4.101 4.340 -0.009 0.000 0.200 314 Q C 2.308 178.330 176.000 0.035 0.000 0.974 314 Q CA 1.844 57.565 55.803 -0.136 0.000 0.840 314 Q CB -0.403 28.142 28.738 -0.322 0.000 0.898 314 Q HN 0.589 nan 8.270 nan 0.000 0.430 315 Q N 0.389 120.191 119.800 0.004 0.000 2.124 315 Q HA -0.073 4.261 4.340 -0.009 0.000 0.202 315 Q C 1.717 177.762 176.000 0.074 0.000 0.977 315 Q CA 1.330 57.171 55.803 0.063 0.000 0.850 315 Q CB -0.162 28.631 28.738 0.093 0.000 0.901 315 Q HN 0.431 nan 8.270 nan 0.000 0.429 316 L N -0.926 120.301 121.223 0.007 0.000 2.093 316 L HA -0.206 4.129 4.340 -0.009 0.000 0.208 316 L C 2.420 179.321 176.870 0.053 0.000 1.085 316 L CA 0.881 55.691 54.840 -0.051 0.000 0.755 316 L CB -0.437 41.527 42.059 -0.158 0.000 0.904 316 L HN 0.347 nan 8.230 nan 0.000 0.435 317 C N -0.812 118.565 119.300 0.128 0.000 2.432 317 C HA -0.130 4.325 4.460 -0.009 0.000 0.280 317 C C 2.896 177.962 174.990 0.127 0.000 1.353 317 C CA 1.145 60.273 59.018 0.184 0.000 1.766 317 C CB -0.893 27.033 27.740 0.311 0.000 1.924 317 C HN 0.518 nan 8.230 nan 0.000 0.509 318 T N 1.994 116.619 114.554 0.118 0.000 2.746 318 T HA -0.147 4.198 4.350 -0.009 0.000 0.267 318 T C 1.660 176.418 174.700 0.097 0.000 1.039 318 T CA 1.772 63.932 62.100 0.099 0.000 1.142 318 T CB -0.302 68.626 68.868 0.101 0.000 0.866 318 T HN 0.747 nan 8.240 nan 0.000 0.444 319 I N -0.524 120.113 120.570 0.112 0.000 2.439 319 I HA 0.056 4.221 4.170 -0.009 0.000 0.251 319 I C 2.285 178.453 176.117 0.086 0.000 1.139 319 I CA 1.115 62.490 61.300 0.124 0.000 1.438 319 I CB -0.558 37.553 38.000 0.186 0.000 1.085 319 I HN 0.170 nan 8.210 nan 0.000 0.427 320 L N 0.739 122.010 121.223 0.080 0.000 2.079 320 L HA -0.131 4.204 4.340 -0.009 0.000 0.210 320 L C 2.186 179.086 176.870 0.050 0.000 1.081 320 L CA 1.406 56.289 54.840 0.072 0.000 0.752 320 L CB -0.048 42.077 42.059 0.109 0.000 0.896 320 L HN 0.310 nan 8.230 nan 0.000 0.433 321 M N -0.790 118.836 119.600 0.043 0.000 2.431 321 M HA 0.242 4.717 4.480 -0.009 0.000 0.237 321 M C 0.771 177.081 176.300 0.016 0.000 1.130 321 M CA 0.051 55.361 55.300 0.017 0.000 1.002 321 M CB -0.862 31.738 32.600 -0.000 0.000 1.524 321 M HN 0.170 nan 8.290 nan 0.000 0.482 322 A N 0.305 123.142 122.820 0.028 0.000 2.249 322 A HA 0.577 4.892 4.320 -0.009 0.000 0.281 322 A C 0.207 177.789 177.584 -0.003 0.000 1.127 322 A CA -0.084 51.968 52.037 0.024 0.000 0.833 322 A CB 0.293 19.323 19.000 0.051 0.000 1.140 322 A HN 0.240 nan 8.150 nan 0.000 0.502 323 T N -0.847 113.701 114.554 -0.010 0.000 2.885 323 T HA 0.556 4.901 4.350 -0.009 0.000 0.285 323 T C 0.827 175.486 174.700 -0.067 0.000 1.019 323 T CA 0.873 62.953 62.100 -0.033 0.000 1.010 323 T CB 1.317 70.173 68.868 -0.020 0.000 1.022 323 T HN 2.112 nan 8.240 nan 0.000 0.466 324 G N 1.620 110.359 108.800 -0.103 0.000 2.136 324 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.242 324 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.242 324 G C 0.132 174.832 174.900 -0.332 0.000 0.989 324 G CA 0.002 45.003 45.100 -0.166 0.000 0.682 324 G HN 0.771 nan 8.290 nan 0.000 0.522 325 V N 1.773 121.497 119.914 -0.318 0.000 2.488 325 V HA 0.361 4.476 4.120 -0.009 0.000 0.277 325 V C -1.013 174.847 176.094 -0.390 0.000 1.046 325 V CA -1.201 60.803 62.300 -0.494 0.000 0.986 325 V CB 1.135 32.808 31.823 -0.250 0.000 0.989 325 V HN 0.173 nan 8.190 nan 0.000 0.475 326 P HA 0.081 nan 4.420 nan 0.000 0.267 326 P C 0.699 177.940 177.300 -0.097 0.000 1.200 326 P CA 0.159 63.126 63.100 -0.222 0.000 0.772 326 P CB 0.671 32.288 31.700 -0.138 0.000 0.855 327 A N 2.982 125.771 122.820 -0.050 0.000 1.917 327 A HA -0.233 4.081 4.320 -0.009 0.000 0.219 327 A C 1.709 179.305 177.584 0.021 0.000 1.182 327 A CA 1.952 53.980 52.037 -0.015 0.000 0.633 327 A CB -1.028 17.970 19.000 -0.004 0.000 0.819 327 A HN 0.560 nan 8.150 nan 0.000 0.448 328 D N -0.115 120.312 120.400 0.046 0.000 2.144 328 D HA -0.100 4.535 4.640 -0.009 0.000 0.200 328 D C 1.866 178.256 176.300 0.151 0.000 0.978 328 D CA 0.946 55.005 54.000 0.097 0.000 0.833 328 D CB -0.250 40.607 40.800 0.095 0.000 0.961 328 D HN 0.340 nan 8.370 nan 0.000 0.470 329 I N 1.070 121.728 120.570 0.147 0.000 2.252 329 I HA -0.170 3.995 4.170 -0.009 0.000 0.245 329 I C 2.449 178.628 176.117 0.103 0.000 1.102 329 I CA 0.491 61.897 61.300 0.177 0.000 1.385 329 I CB -0.986 37.168 38.000 0.257 0.000 1.064 329 I HN 0.027 nan 8.210 nan 0.000 0.414 330 L N 0.871 122.123 121.223 0.048 0.000 2.012 330 L HA -0.207 4.127 4.340 -0.009 0.000 0.210 330 L C 2.467 179.358 176.870 0.035 0.000 1.073 330 L CA 2.153 57.011 54.840 0.029 0.000 0.748 330 L CB -1.212 40.845 42.059 -0.002 0.000 0.891 330 L HN 0.183 nan 8.230 nan 0.000 0.431 331 T N -0.909 113.668 114.554 0.039 0.000 2.708 331 T HA -0.192 4.152 4.350 -0.009 0.000 0.266 331 T C 1.741 176.460 174.700 0.032 0.000 1.037 331 T CA 1.495 63.615 62.100 0.033 0.000 1.146 331 T CB -0.199 68.689 68.868 0.034 0.000 0.865 331 T HN 0.356 nan 8.240 nan 0.000 0.435 332 E N 0.910 121.135 120.200 0.042 0.000 2.110 332 E HA -0.109 4.236 4.350 -0.009 0.000 0.193 332 E C 2.236 178.820 176.600 -0.026 0.000 0.988 332 E CA 1.453 57.845 56.400 -0.012 0.000 0.804 332 E CB -0.571 29.071 29.700 -0.096 0.000 0.745 332 E HN 0.405 nan 8.360 nan 0.000 0.458 333 T N 0.456 115.011 114.554 0.001 0.000 2.746 333 T HA -0.103 4.242 4.350 -0.009 0.000 0.267 333 T C 1.885 176.573 174.700 -0.021 0.000 1.039 333 T CA 1.438 63.526 62.100 -0.020 0.000 1.142 333 T CB -0.270 68.607 68.868 0.016 0.000 0.866 333 T HN 0.155 nan 8.240 nan 0.000 0.444 334 I N 1.726 122.300 120.570 0.006 0.000 2.179 334 I HA -0.194 3.971 4.170 -0.009 0.000 0.242 334 I C 2.390 178.498 176.117 -0.015 0.000 1.088 334 I CA 1.016 62.319 61.300 0.005 0.000 1.357 334 I CB -0.385 37.632 38.000 0.029 0.000 1.051 334 I HN 0.167 nan 8.210 nan 0.000 0.409 335 N N 0.130 118.844 118.700 0.024 0.000 2.309 335 N HA -0.114 4.621 4.740 -0.009 0.000 0.182 335 N C 1.807 177.324 175.510 0.011 0.000 1.018 335 N CA 1.505 54.608 53.050 0.087 0.000 0.876 335 N CB -0.352 38.197 38.487 0.104 0.000 0.972 335 N HN 0.377 nan 8.380 nan 0.000 0.434 336 T N 0.580 115.109 114.554 -0.042 0.000 2.809 336 T HA 0.006 4.350 4.350 -0.009 0.000 0.260 336 T C 2.197 176.833 174.700 -0.107 0.000 1.039 336 T CA 0.547 62.603 62.100 -0.073 0.000 1.141 336 T CB -0.213 68.591 68.868 -0.106 0.000 0.869 336 T HN -0.062 nan 8.240 nan 0.000 0.437 337 V N 1.933 121.778 119.914 -0.115 0.000 2.392 337 V HA -0.190 3.925 4.120 -0.009 0.000 0.249 337 V C 2.684 178.642 176.094 -0.227 0.000 1.059 337 V CA 1.754 63.976 62.300 -0.131 0.000 1.051 337 V CB -0.878 30.897 31.823 -0.081 0.000 0.658 337 V HN 0.453 nan 8.190 nan 0.000 0.455 338 S N -0.082 115.446 115.700 -0.287 0.000 2.359 338 S HA -0.295 4.170 4.470 -0.009 0.000 0.223 338 S C 1.887 176.250 174.600 -0.395 0.000 1.039 338 S CA 2.039 59.970 58.200 -0.448 0.000 1.042 338 S CB -0.354 62.430 63.200 -0.694 0.000 0.915 338 S HN 0.733 nan 8.310 nan 0.000 0.439 339 E N 0.352 120.386 120.200 -0.276 0.000 2.208 339 E HA -0.025 4.320 4.350 -0.009 0.000 0.193 339 E C 1.974 178.506 176.600 -0.113 0.000 0.988 339 E CA 0.606 56.902 56.400 -0.174 0.000 0.828 339 E CB -0.109 29.546 29.700 -0.075 0.000 0.763 339 E HN 0.272 nan 8.360 nan 0.000 0.478 340 V N 1.978 121.830 119.914 -0.103 0.000 2.626 340 V HA -0.199 3.915 4.120 -0.009 0.000 0.252 340 V C 2.241 178.310 176.094 -0.042 0.000 1.067 340 V CA 1.611 63.879 62.300 -0.054 0.000 1.081 340 V CB -0.522 31.278 31.823 -0.038 0.000 0.686 340 V HN 0.402 nan 8.190 nan 0.000 0.468 341 I N -2.075 118.444 120.570 -0.085 0.000 3.854 341 I HA 0.217 4.382 4.170 -0.009 0.000 0.312 341 I C 1.394 177.476 176.117 -0.059 0.000 1.273 341 I CA -0.044 61.224 61.300 -0.054 0.000 1.298 341 I CB -0.076 37.881 38.000 -0.071 0.000 1.071 341 I HN 0.023 nan 8.210 nan 0.000 0.428 342 R N 2.773 123.217 120.500 -0.094 0.000 2.483 342 R HA 0.141 4.475 4.340 -0.009 0.000 0.329 342 R C 1.070 177.407 176.300 0.062 0.000 0.961 342 R CA 1.209 57.275 56.100 -0.058 0.000 1.041 342 R CB -0.204 30.009 30.300 -0.144 0.000 0.930 342 R HN 0.638 nan 8.270 nan 0.000 0.413 343 G N 3.054 111.930 108.800 0.126 0.000 2.155 343 G HA2 -0.313 3.642 3.960 -0.009 0.000 0.257 343 G HA3 -0.313 3.642 3.960 -0.009 0.000 0.257 343 G C -0.100 174.795 174.900 -0.008 0.000 0.983 343 G CA 0.236 45.392 45.100 0.093 0.000 0.676 343 G HN 0.716 nan 8.290 nan 0.000 0.528 344 C N 0.587 119.874 119.300 -0.023 0.000 2.294 344 C HA 0.703 5.158 4.460 -0.009 0.000 0.319 344 C C 1.749 176.703 174.990 -0.060 0.000 1.164 344 C CA 0.027 59.020 59.018 -0.042 0.000 1.497 344 C CB 0.691 28.413 27.740 -0.030 0.000 2.061 344 C HN 0.556 nan 8.230 nan 0.000 0.438 345 Q N 3.041 122.793 119.800 -0.080 0.000 2.077 345 Q HA -0.136 4.199 4.340 -0.009 0.000 0.206 345 Q C 1.739 177.691 176.000 -0.080 0.000 0.989 345 Q CA 2.619 58.372 55.803 -0.083 0.000 0.853 345 Q CB -0.119 28.566 28.738 -0.088 0.000 0.907 345 Q HN 0.760 nan 8.270 nan 0.000 0.418 346 V N 1.071 120.899 119.914 -0.143 0.000 2.343 346 V HA -0.257 3.858 4.120 -0.009 0.000 0.247 346 V C 1.770 177.727 176.094 -0.229 0.000 1.051 346 V CA 2.029 64.173 62.300 -0.259 0.000 1.036 346 V CB -0.681 30.867 31.823 -0.460 0.000 0.654 346 V HN 0.423 nan 8.190 nan 0.000 0.451 347 N N -0.168 118.453 118.700 -0.131 0.000 2.216 347 N HA -0.118 4.617 4.740 -0.009 0.000 0.183 347 N C 1.904 177.538 175.510 0.206 0.000 1.017 347 N CA 1.009 54.090 53.050 0.052 0.000 0.861 347 N CB -0.292 38.227 38.487 0.053 0.000 0.986 347 N HN 0.565 nan 8.380 nan 0.000 0.428 348 Q N 0.324 120.212 119.800 0.148 0.000 2.084 348 Q HA -0.108 4.227 4.340 -0.009 0.000 0.202 348 Q C 0.911 177.151 176.000 0.400 0.000 0.978 348 Q CA 1.200 57.176 55.803 0.288 0.000 0.844 348 Q CB -0.013 28.774 28.738 0.082 0.000 0.898 348 Q HN 0.337 nan 8.270 nan 0.000 0.426 349 D N -0.327 120.204 120.400 0.218 0.000 2.144 349 D HA -0.163 4.472 4.640 -0.009 0.000 0.200 349 D C 1.561 177.962 176.300 0.169 0.000 0.978 349 D CA 0.879 54.986 54.000 0.180 0.000 0.833 349 D CB -0.310 40.537 40.800 0.079 0.000 0.961 349 D HN 0.246 nan 8.370 nan 0.000 0.470 350 Y N 0.529 120.907 120.300 0.131 0.000 2.128 350 Y HA -0.272 4.273 4.550 -0.009 0.000 0.284 350 Y C 2.149 178.145 175.900 0.161 0.000 1.154 350 Y CA 1.378 59.588 58.100 0.183 0.000 1.149 350 Y CB -0.618 38.033 38.460 0.319 0.000 0.976 350 Y HN -0.066 nan 8.280 nan 0.000 0.505 351 F N 0.654 120.625 119.950 0.035 0.000 2.126 351 F HA -0.187 4.334 4.527 -0.009 0.000 0.299 351 F C 2.358 178.014 175.800 -0.241 0.000 1.096 351 F CA 1.719 59.671 58.000 -0.080 0.000 1.255 351 F CB -0.948 38.080 39.000 0.046 0.000 0.997 351 F HN 0.092 nan 8.300 nan 0.000 0.479 352 A N -0.410 122.283 122.820 -0.213 0.000 2.024 352 A HA -0.195 4.120 4.320 -0.009 0.000 0.220 352 A C 2.288 179.676 177.584 -0.328 0.000 1.164 352 A CA 1.932 53.763 52.037 -0.343 0.000 0.643 352 A CB -1.320 17.645 19.000 -0.057 0.000 0.806 352 A HN 0.523 nan 8.150 nan 0.000 0.451 353 S N -0.912 114.598 115.700 -0.316 0.000 2.522 353 S HA 0.125 4.589 4.470 -0.009 0.000 0.227 353 S C 0.549 174.919 174.600 -0.383 0.000 0.986 353 S CA 0.310 58.332 58.200 -0.297 0.000 0.929 353 S CB -0.688 62.364 63.200 -0.245 0.000 0.769 353 S HN 0.133 nan 8.310 nan 0.000 0.529 354 V N 3.604 123.195 119.914 -0.539 0.000 2.572 354 V HA 0.281 4.396 4.120 -0.009 0.000 0.291 354 V C -0.083 175.806 176.094 -0.342 0.000 1.039 354 V CA -0.314 61.711 62.300 -0.458 0.000 1.055 354 V CB 0.402 31.920 31.823 -0.509 0.000 0.969 354 V HN 0.467 nan 8.190 nan 0.000 0.482 355 N N 2.293 120.859 118.700 -0.222 0.000 2.292 355 N HA 0.660 5.394 4.740 -0.009 0.000 0.303 355 N C -0.226 175.212 175.510 -0.121 0.000 1.140 355 N CA -0.400 52.552 53.050 -0.165 0.000 0.788 355 N CB 2.102 40.518 38.487 -0.119 0.000 1.361 355 N HN 0.757 nan 8.380 nan 0.000 0.489 356 A N 1.546 124.305 122.820 -0.102 0.000 2.407 356 A HA 0.371 4.686 4.320 -0.009 0.000 0.248 356 A C -1.978 175.576 177.584 -0.050 0.000 1.082 356 A CA -0.927 51.070 52.037 -0.067 0.000 0.785 356 A CB -0.273 18.692 19.000 -0.059 0.000 1.020 356 A HN 0.444 nan 8.150 nan 0.000 0.489 357 P HA 0.146 nan 4.420 nan 0.000 0.244 357 P C -0.627 176.659 177.300 -0.022 0.000 1.769 357 P CA 0.183 63.269 63.100 -0.024 0.000 1.102 357 P CB -0.343 31.348 31.700 -0.014 0.000 1.937 358 S N 1.229 116.913 115.700 -0.026 0.000 2.634 358 S HA 0.383 4.848 4.470 -0.009 0.000 0.296 358 S C 0.981 175.569 174.600 -0.021 0.000 1.104 358 S CA -0.761 57.426 58.200 -0.022 0.000 0.920 358 S CB 1.148 64.332 63.200 -0.025 0.000 1.111 358 S HN -0.047 nan 8.310 nan 0.000 0.493 359 N N 1.440 120.131 118.700 -0.016 0.000 2.166 359 N HA 0.088 4.822 4.740 -0.009 0.000 0.186 359 N C -1.917 173.584 175.510 -0.016 0.000 1.019 359 N CA 0.815 53.856 53.050 -0.014 0.000 0.856 359 N CB -1.374 37.107 38.487 -0.011 0.000 0.993 359 N HN 0.599 nan 8.380 nan 0.000 0.426 360 P HA 0.316 nan 4.420 nan 0.000 0.295 360 P C -2.846 174.437 177.300 -0.028 0.000 1.354 360 P CA -1.747 61.340 63.100 -0.021 0.000 0.814 360 P CB 1.316 33.005 31.700 -0.019 0.000 0.935 361 P HA 0.105 nan 4.420 nan 0.000 0.265 361 P C -0.166 177.103 177.300 -0.052 0.000 1.193 361 P CA 0.254 63.328 63.100 -0.043 0.000 0.765 361 P CB 1.029 32.703 31.700 -0.044 0.000 0.823 362 R N 3.984 124.445 120.500 -0.064 0.000 2.451 362 R HA 0.410 4.744 4.340 -0.009 0.000 0.307 362 R C -2.554 173.682 176.300 -0.105 0.000 0.965 362 R CA -2.338 53.719 56.100 -0.072 0.000 0.865 362 R CB 1.573 31.837 30.300 -0.060 0.000 1.174 362 R HN 0.297 nan 8.270 nan 0.000 0.455 363 P HA -0.028 nan 4.420 nan 0.000 0.266 363 P C 0.112 177.283 177.300 -0.215 0.000 1.195 363 P CA 0.289 63.276 63.100 -0.189 0.000 0.768 363 P CB 0.896 32.491 31.700 -0.176 0.000 0.838 364 A N 3.804 126.427 122.820 -0.328 0.000 1.948 364 A HA -0.231 4.083 4.320 -0.009 0.000 0.220 364 A C 2.003 179.440 177.584 -0.245 0.000 1.177 364 A CA 1.680 53.508 52.037 -0.348 0.000 0.636 364 A CB -1.509 17.091 19.000 -0.667 0.000 0.815 364 A HN 0.585 nan 8.150 nan 0.000 0.449 365 I N -0.598 119.793 120.570 -0.298 0.000 2.163 365 I HA -0.252 3.913 4.170 -0.009 0.000 0.243 365 I C 2.341 178.439 176.117 -0.032 0.000 1.085 365 I CA 1.400 62.649 61.300 -0.084 0.000 1.347 365 I CB -0.338 37.566 38.000 -0.159 0.000 1.044 365 I HN 0.182 nan 8.210 nan 0.000 0.408 366 V N 0.223 120.093 119.914 -0.074 0.000 2.343 366 V HA -0.221 3.893 4.120 -0.009 0.000 0.247 366 V C 2.401 178.462 176.094 -0.055 0.000 1.051 366 V CA 1.454 63.719 62.300 -0.059 0.000 1.036 366 V CB -0.364 31.424 31.823 -0.058 0.000 0.654 366 V HN 0.247 nan 8.190 nan 0.000 0.451 367 V N -0.186 119.693 119.914 -0.059 0.000 2.407 367 V HA -0.253 3.862 4.120 -0.009 0.000 0.248 367 V C 2.319 178.401 176.094 -0.019 0.000 1.055 367 V CA 1.781 64.057 62.300 -0.041 0.000 1.049 367 V CB -0.561 31.234 31.823 -0.047 0.000 0.662 367 V HN 0.437 nan 8.190 nan 0.000 0.455 368 L N -0.655 120.571 121.223 0.005 0.000 1.990 368 L HA -0.231 4.104 4.340 -0.009 0.000 0.213 368 L C 2.432 179.284 176.870 -0.031 0.000 1.072 368 L CA 1.811 56.670 54.840 0.033 0.000 0.755 368 L CB -0.619 41.514 42.059 0.123 0.000 0.889 368 L HN 0.299 nan 8.230 nan 0.000 0.432 369 L N -1.258 119.915 121.223 -0.084 0.000 2.141 369 L HA -0.207 4.128 4.340 -0.009 0.000 0.209 369 L C 2.668 179.480 176.870 -0.097 0.000 1.094 369 L CA 0.977 55.721 54.840 -0.160 0.000 0.763 369 L CB -0.350 41.568 42.059 -0.234 0.000 0.908 369 L HN 0.337 nan 8.230 nan 0.000 0.437 370 M N -0.740 118.822 119.600 -0.062 0.000 2.086 370 M HA -0.186 4.289 4.480 -0.009 0.000 0.261 370 M C 2.503 178.786 176.300 -0.028 0.000 1.067 370 M CA 1.776 57.051 55.300 -0.041 0.000 1.116 370 M CB -0.359 32.222 32.600 -0.032 0.000 1.348 370 M HN 0.196 nan 8.290 nan 0.000 0.407 371 S N 0.455 116.142 115.700 -0.022 0.000 2.368 371 S HA -0.144 4.321 4.470 -0.009 0.000 0.225 371 S C 1.834 176.429 174.600 -0.007 0.000 1.030 371 S CA 1.281 59.475 58.200 -0.009 0.000 0.999 371 S CB -0.382 62.817 63.200 -0.002 0.000 0.844 371 S HN 0.473 nan 8.310 nan 0.000 0.459 372 M N 1.812 121.399 119.600 -0.021 0.000 2.159 372 M HA -0.102 4.372 4.480 -0.009 0.000 0.263 372 M C 1.751 178.052 176.300 0.000 0.000 1.063 372 M CA 1.536 56.828 55.300 -0.014 0.000 1.110 372 M CB -0.162 32.408 32.600 -0.049 0.000 1.374 372 M HN 0.340 nan 8.290 nan 0.000 0.411 373 V N -2.491 117.413 119.914 -0.017 0.000 3.647 373 V HA 0.167 4.282 4.120 -0.009 0.000 0.279 373 V C 0.625 176.723 176.094 0.007 0.000 1.314 373 V CA -0.135 62.161 62.300 -0.006 0.000 1.125 373 V CB -1.191 30.614 31.823 -0.029 0.000 0.907 373 V HN 0.364 nan 8.190 nan 0.000 0.434 374 N N 2.516 121.220 118.700 0.008 0.000 2.400 374 N HA 0.002 4.737 4.740 -0.009 0.000 0.267 374 N C 1.061 176.587 175.510 0.027 0.000 1.208 374 N CA 0.516 53.575 53.050 0.013 0.000 0.951 374 N CB 0.728 39.220 38.487 0.009 0.000 1.227 374 N HN 0.640 nan 8.380 nan 0.000 0.488 375 E N 2.809 123.026 120.200 0.028 0.000 2.333 375 E HA -0.205 4.140 4.350 -0.009 0.000 0.200 375 E C 0.868 177.489 176.600 0.036 0.000 1.010 375 E CA 1.150 57.571 56.400 0.035 0.000 0.841 375 E CB 0.348 30.064 29.700 0.027 0.000 0.757 375 E HN 0.548 nan 8.360 nan 0.000 0.508 376 R N -0.356 120.162 120.500 0.030 0.000 2.189 376 R HA 0.078 4.413 4.340 -0.009 0.000 0.203 376 R C 0.697 177.018 176.300 0.034 0.000 1.012 376 R CA -0.044 56.073 56.100 0.028 0.000 1.015 376 R CB 0.195 30.506 30.300 0.018 0.000 0.938 376 R HN 0.101 nan 8.270 nan 0.000 0.472 377 Q N 1.567 121.388 119.800 0.036 0.000 2.474 377 Q HA 0.116 4.451 4.340 -0.009 0.000 0.256 377 Q C -2.190 173.847 176.000 0.061 0.000 1.048 377 Q CA -1.316 54.509 55.803 0.038 0.000 0.922 377 Q CB -0.070 28.685 28.738 0.028 0.000 1.288 377 Q HN -0.034 nan 8.270 nan 0.000 0.484 378 P HA -0.056 nan 4.420 nan 0.000 0.268 378 P C 0.315 177.688 177.300 0.121 0.000 1.205 378 P CA 0.019 63.172 63.100 0.088 0.000 0.771 378 P CB 0.245 31.981 31.700 0.059 0.000 0.858 379 F N 4.620 124.581 119.950 0.018 0.000 2.091 379 F HA -0.251 4.270 4.527 -0.009 0.000 0.299 379 F C 1.873 177.695 175.800 0.037 0.000 1.103 379 F CA 2.211 60.227 58.000 0.026 0.000 1.228 379 F CB -0.817 38.196 39.000 0.021 0.000 0.984 379 F HN 0.149 nan 8.300 nan 0.000 0.477 380 V N -1.091 118.794 119.914 -0.048 0.000 2.490 380 V HA -0.194 3.921 4.120 -0.009 0.000 0.250 380 V C 2.213 178.227 176.094 -0.133 0.000 1.061 380 V CA 1.703 63.914 62.300 -0.149 0.000 1.064 380 V CB -1.336 30.477 31.823 -0.017 0.000 0.670 380 V HN 0.434 nan 8.190 nan 0.000 0.461 381 L N 0.962 122.147 121.223 -0.063 0.000 2.027 381 L HA -0.017 4.318 4.340 -0.009 0.000 0.206 381 L C 2.826 179.664 176.870 -0.055 0.000 1.074 381 L CA 1.831 56.649 54.840 -0.037 0.000 0.745 381 L CB -0.832 41.224 42.059 -0.005 0.000 0.898 381 L HN 0.223 nan 8.230 nan 0.000 0.433 382 R N -1.205 119.250 120.500 -0.075 0.000 2.091 382 R HA -0.185 4.149 4.340 -0.009 0.000 0.238 382 R C 2.314 178.555 176.300 -0.099 0.000 1.136 382 R CA 1.683 57.745 56.100 -0.064 0.000 0.959 382 R CB -1.334 28.951 30.300 -0.024 0.000 0.856 382 R HN 0.448 nan 8.270 nan 0.000 0.437 383 C N 0.396 119.546 119.300 -0.249 0.000 2.429 383 C HA -0.079 4.375 4.460 -0.009 0.000 0.277 383 C C 3.030 177.979 174.990 -0.068 0.000 1.262 383 C CA 0.796 59.691 59.018 -0.205 0.000 1.733 383 C CB -1.053 26.448 27.740 -0.399 0.000 2.010 383 C HN 0.592 nan 8.230 nan 0.000 0.483 384 A N 0.079 122.864 122.820 -0.059 0.000 1.877 384 A HA -0.121 4.194 4.320 -0.009 0.000 0.216 384 A C 2.303 179.933 177.584 0.076 0.000 1.186 384 A CA 2.151 54.207 52.037 0.031 0.000 0.620 384 A CB -0.811 18.198 19.000 0.014 0.000 0.822 384 A HN 0.362 nan 8.150 nan 0.000 0.443 385 V N -0.285 119.656 119.914 0.045 0.000 2.407 385 V HA -0.215 3.900 4.120 -0.009 0.000 0.248 385 V C 2.494 178.650 176.094 0.103 0.000 1.055 385 V CA 1.905 64.244 62.300 0.065 0.000 1.049 385 V CB -0.671 31.175 31.823 0.037 0.000 0.662 385 V HN 0.611 nan 8.190 nan 0.000 0.455 386 L N -0.604 120.678 121.223 0.098 0.000 2.046 386 L HA -0.201 4.134 4.340 -0.009 0.000 0.208 386 L C 2.281 179.265 176.870 0.190 0.000 1.077 386 L CA 2.171 57.098 54.840 0.145 0.000 0.747 386 L CB -0.970 41.184 42.059 0.158 0.000 0.896 386 L HN 0.430 nan 8.230 nan 0.000 0.432 387 Y N -0.608 119.689 120.300 -0.005 0.000 2.181 387 Y HA -0.303 4.242 4.550 -0.009 0.000 0.288 387 Y C 2.785 178.657 175.900 -0.046 0.000 1.146 387 Y CA 1.447 59.516 58.100 -0.051 0.000 1.164 387 Y CB -1.076 37.332 38.460 -0.087 0.000 0.982 387 Y HN 0.409 nan 8.280 nan 0.000 0.515 388 C N -0.304 118.977 119.300 -0.032 0.000 2.425 388 C HA -0.192 4.262 4.460 -0.009 0.000 0.277 388 C C 2.721 177.675 174.990 -0.061 0.000 1.280 388 C CA 1.149 60.061 59.018 -0.176 0.000 1.744 388 C CB -2.025 25.637 27.740 -0.129 0.000 1.989 388 C HN 0.626 nan 8.230 nan 0.000 0.491 389 F N 1.378 121.305 119.950 -0.037 0.000 2.146 389 F HA -0.099 4.423 4.527 -0.009 0.000 0.298 389 F C 2.441 178.272 175.800 0.051 0.000 1.096 389 F CA 1.940 59.980 58.000 0.067 0.000 1.275 389 F CB -0.632 38.403 39.000 0.058 0.000 1.008 389 F HN 0.313 nan 8.300 nan 0.000 0.480 390 Q N -0.836 118.948 119.800 -0.026 0.000 2.096 390 Q HA -0.247 4.088 4.340 -0.009 0.000 0.204 390 Q C 2.409 178.342 176.000 -0.111 0.000 0.982 390 Q CA 2.072 57.769 55.803 -0.177 0.000 0.850 390 Q CB -0.693 27.892 28.738 -0.255 0.000 0.901 390 Q HN 0.448 nan 8.270 nan 0.000 0.422 391 C N -0.097 119.088 119.300 -0.191 0.000 2.450 391 C HA -0.072 4.383 4.460 -0.009 0.000 0.279 391 C C 2.362 177.276 174.990 -0.126 0.000 1.335 391 C CA -0.082 58.810 59.018 -0.211 0.000 1.749 391 C CB -1.025 26.462 27.740 -0.422 0.000 1.963 391 C HN 0.524 nan 8.230 nan 0.000 0.501 392 F N 1.573 121.362 119.950 -0.268 0.000 2.171 392 F HA -0.048 4.474 4.527 -0.009 0.000 0.300 392 F C 1.868 177.561 175.800 -0.177 0.000 1.090 392 F CA 1.557 59.428 58.000 -0.215 0.000 1.293 392 F CB -0.405 38.489 39.000 -0.177 0.000 1.013 392 F HN 0.111 nan 8.300 nan 0.000 0.486 393 L N -0.901 120.024 121.223 -0.497 0.000 2.509 393 L HA -0.053 4.281 4.340 -0.009 0.000 0.222 393 L C 0.080 176.814 176.870 -0.226 0.000 1.123 393 L CA -0.134 54.405 54.840 -0.503 0.000 0.856 393 L CB -0.671 41.160 42.059 -0.380 0.000 0.985 393 L HN 0.042 nan 8.230 nan 0.000 0.456 394 Y N 3.202 123.365 120.300 -0.228 0.000 2.605 394 Y HA -0.025 4.520 4.550 -0.009 0.000 0.336 394 Y C 0.833 176.648 175.900 -0.143 0.000 1.111 394 Y CA -0.529 57.498 58.100 -0.122 0.000 1.422 394 Y CB -0.012 38.405 38.460 -0.071 0.000 1.193 394 Y HN 0.027 nan 8.280 nan 0.000 0.526 395 K N 2.366 122.456 120.400 -0.516 0.000 3.209 395 K HA -0.294 4.020 4.320 -0.009 0.000 0.289 395 K C -0.765 175.669 176.600 -0.276 0.000 1.191 395 K CA 0.953 56.982 56.287 -0.430 0.000 0.851 395 K CB -1.847 30.365 32.500 -0.480 0.000 1.242 395 K HN 0.704 nan 8.250 nan 0.000 0.480 396 N N 1.441 119.977 118.700 -0.273 0.000 2.898 396 N HA 0.160 4.894 4.740 -0.009 0.000 0.245 396 N C 0.837 176.198 175.510 -0.249 0.000 1.185 396 N CA -0.266 52.618 53.050 -0.278 0.000 0.879 396 N CB 0.652 38.889 38.487 -0.415 0.000 1.157 396 N HN 0.106 nan 8.380 nan 0.000 0.503 397 Q N 0.944 120.635 119.800 -0.182 0.000 2.170 397 Q HA -0.175 4.160 4.340 -0.009 0.000 0.203 397 Q C 1.313 177.240 176.000 -0.122 0.000 0.976 397 Q CA 1.124 56.841 55.803 -0.143 0.000 0.858 397 Q CB 0.235 28.906 28.738 -0.112 0.000 0.907 397 Q HN 0.568 nan 8.270 nan 0.000 0.433 398 K N 0.311 120.640 120.400 -0.117 0.000 2.009 398 K HA -0.158 4.157 4.320 -0.009 0.000 0.210 398 K C 2.070 178.626 176.600 -0.074 0.000 1.049 398 K CA 1.561 57.801 56.287 -0.078 0.000 0.929 398 K CB -0.400 32.065 32.500 -0.059 0.000 0.714 398 K HN 0.230 nan 8.250 nan 0.000 0.440 399 G N 0.510 109.212 108.800 -0.164 0.000 2.418 399 G HA2 -0.279 3.676 3.960 -0.009 0.000 0.217 399 G HA3 -0.279 3.676 3.960 -0.009 0.000 0.217 399 G C 1.317 176.149 174.900 -0.114 0.000 1.158 399 G CA 0.758 45.746 45.100 -0.187 0.000 0.771 399 G HN 0.439 nan 8.290 nan 0.000 0.545 400 Q N -0.081 119.615 119.800 -0.173 0.000 2.096 400 Q HA -0.058 4.276 4.340 -0.009 0.000 0.204 400 Q C 2.853 178.827 176.000 -0.044 0.000 0.982 400 Q CA 1.225 56.964 55.803 -0.107 0.000 0.850 400 Q CB -0.383 28.280 28.738 -0.125 0.000 0.901 400 Q HN 0.468 nan 8.270 nan 0.000 0.422 401 G N 0.677 109.451 108.800 -0.044 0.000 2.403 401 G HA2 -0.235 3.720 3.960 -0.009 0.000 0.216 401 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.216 401 G C 1.049 175.954 174.900 0.008 0.000 1.154 401 G CA 0.502 45.588 45.100 -0.023 0.000 0.784 401 G HN 0.301 nan 8.290 nan 0.000 0.538 402 E N -0.040 120.178 120.200 0.030 0.000 2.085 402 E HA -0.113 4.231 4.350 -0.009 0.000 0.194 402 E C 2.474 179.123 176.600 0.082 0.000 0.994 402 E CA 0.653 57.091 56.400 0.063 0.000 0.801 402 E CB -0.053 29.709 29.700 0.102 0.000 0.743 402 E HN 0.298 nan 8.360 nan 0.000 0.453 403 I N 0.547 121.182 120.570 0.109 0.000 2.202 403 I HA -0.192 3.972 4.170 -0.009 0.000 0.242 403 I C 2.408 178.569 176.117 0.073 0.000 1.091 403 I CA 1.005 62.387 61.300 0.137 0.000 1.368 403 I CB -1.009 37.126 38.000 0.225 0.000 1.058 403 I HN 0.017 nan 8.210 nan 0.000 0.410 404 V N 1.432 121.365 119.914 0.033 0.000 2.427 404 V HA -0.212 3.903 4.120 -0.009 0.000 0.248 404 V C 2.695 178.794 176.094 0.008 0.000 1.051 404 V CA 1.845 64.143 62.300 -0.002 0.000 1.048 404 V CB -0.854 30.944 31.823 -0.041 0.000 0.666 404 V HN 0.566 nan 8.190 nan 0.000 0.456 405 S N 0.909 116.618 115.700 0.016 0.000 2.419 405 S HA -0.215 4.250 4.470 -0.009 0.000 0.233 405 S C 2.008 176.622 174.600 0.023 0.000 1.016 405 S CA 1.711 59.922 58.200 0.018 0.000 0.974 405 S CB -0.909 62.301 63.200 0.017 0.000 0.786 405 S HN 0.759 nan 8.310 nan 0.000 0.492 406 T N 0.032 114.603 114.554 0.029 0.000 3.051 406 T HA 0.182 4.527 4.350 -0.009 0.000 0.269 406 T C 1.493 176.210 174.700 0.028 0.000 1.127 406 T CA 0.655 62.772 62.100 0.028 0.000 1.107 406 T CB -0.594 68.293 68.868 0.032 0.000 0.898 406 T HN 0.459 nan 8.240 nan 0.000 0.517 407 L N -0.151 121.089 121.223 0.028 0.000 2.567 407 L HA 0.425 4.760 4.340 -0.009 0.000 0.225 407 L C 0.590 177.485 176.870 0.042 0.000 1.119 407 L CA -0.067 54.795 54.840 0.036 0.000 0.871 407 L CB -0.070 42.008 42.059 0.031 0.000 1.036 407 L HN 0.247 nan 8.230 nan 0.000 0.459 408 L N 1.031 122.275 121.223 0.034 0.000 2.360 408 L HA 0.324 4.658 4.340 -0.009 0.000 0.271 408 L C -1.824 175.067 176.870 0.034 0.000 1.057 408 L CA -1.860 53.002 54.840 0.037 0.000 0.803 408 L CB 0.746 42.823 42.059 0.030 0.000 1.207 408 L HN -0.174 nan 8.230 nan 0.000 0.445 409 P HA 0.033 nan 4.420 nan 0.000 0.252 409 P C -0.849 176.466 177.300 0.026 0.000 1.694 409 P CA -0.019 63.100 63.100 0.031 0.000 1.163 409 P CB -0.159 31.561 31.700 0.034 0.000 1.934 410 S N -0.171 115.543 115.700 0.023 0.000 2.673 410 S HA 0.223 4.688 4.470 -0.009 0.000 0.256 410 S C 0.329 174.939 174.600 0.016 0.000 1.141 410 S CA -0.600 57.611 58.200 0.018 0.000 1.109 410 S CB 0.151 63.361 63.200 0.018 0.000 1.101 410 S HN 0.220 nan 8.310 nan 0.000 0.471 411 T N 0.951 115.514 114.554 0.014 0.000 4.210 411 T HA 0.270 4.615 4.350 -0.009 0.000 0.229 411 T C 0.419 175.125 174.700 0.010 0.000 0.813 411 T CA -0.337 61.771 62.100 0.012 0.000 0.888 411 T CB -1.253 67.622 68.868 0.011 0.000 1.327 411 T HN 0.722 nan 8.240 nan 0.000 0.739 412 I N 2.048 122.624 120.570 0.010 0.000 2.452 412 I HA 0.039 4.203 4.170 -0.009 0.000 0.287 412 I C 0.537 176.659 176.117 0.007 0.000 1.079 412 I CA -0.417 60.888 61.300 0.008 0.000 1.387 412 I CB 0.372 38.378 38.000 0.009 0.000 1.404 412 I HN 0.329 nan 8.210 nan 0.000 0.522 413 D N 6.950 127.353 120.400 0.005 0.000 3.033 413 D HA -0.098 4.537 4.640 -0.009 0.000 0.279 413 D C 1.084 177.385 176.300 0.002 0.000 1.500 413 D CA 0.225 54.227 54.000 0.003 0.000 1.355 413 D CB 0.604 41.405 40.800 0.001 0.000 1.182 413 D HN 0.713 nan 8.370 nan 0.000 0.593 414 A N 2.727 125.549 122.820 0.003 0.000 2.066 414 A HA -0.078 4.236 4.320 -0.009 0.000 0.218 414 A C 1.462 179.044 177.584 -0.002 0.000 1.157 414 A CA 0.649 52.687 52.037 0.002 0.000 0.670 414 A CB -0.208 18.795 19.000 0.006 0.000 0.804 414 A HN 0.524 nan 8.150 nan 0.000 0.453 415 T N -4.106 110.447 114.554 -0.002 0.000 2.734 415 T HA 0.444 4.788 4.350 -0.009 0.000 0.314 415 T C 1.364 176.058 174.700 -0.009 0.000 1.057 415 T CA 0.456 62.553 62.100 -0.005 0.000 1.047 415 T CB 1.061 69.927 68.868 -0.003 0.000 0.991 415 T HN 1.621 nan 8.240 nan 0.000 0.540 416 G N 1.536 110.329 108.800 -0.011 0.000 2.784 416 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.204 416 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.204 416 G C -0.094 174.794 174.900 -0.020 0.000 1.300 416 G CA -0.069 45.021 45.100 -0.016 0.000 0.863 416 G HN 1.387 nan 8.290 nan 0.000 0.541 417 N N 0.760 119.447 118.700 -0.022 0.000 2.479 417 N HA 0.545 5.280 4.740 -0.009 0.000 0.261 417 N C 0.802 176.302 175.510 -0.016 0.000 0.979 417 N CA 0.347 53.383 53.050 -0.024 0.000 0.930 417 N CB 1.937 40.404 38.487 -0.033 0.000 1.172 417 N HN 0.240 nan 8.380 nan 0.000 0.499 418 T N -0.614 113.932 114.554 -0.013 0.000 2.857 418 T HA -0.100 4.245 4.350 -0.009 0.000 0.266 418 T C 0.867 175.563 174.700 -0.007 0.000 1.048 418 T CA 0.315 62.411 62.100 -0.008 0.000 1.139 418 T CB 0.016 68.880 68.868 -0.006 0.000 0.874 418 T HN 0.416 nan 8.240 nan 0.000 0.455 419 V N 3.535 123.443 119.914 -0.010 0.000 2.432 419 V HA 0.535 4.650 4.120 -0.009 0.000 0.271 419 V C 0.163 176.250 176.094 -0.012 0.000 1.046 419 V CA -0.812 61.483 62.300 -0.010 0.000 0.945 419 V CB 0.778 32.593 31.823 -0.013 0.000 0.992 419 V HN 0.652 nan 8.190 nan 0.000 0.471 420 S N 5.783 121.480 115.700 -0.006 0.000 2.654 420 S HA 0.677 5.142 4.470 -0.009 0.000 0.283 420 S C 1.251 175.848 174.600 -0.006 0.000 1.180 420 S CA -0.083 58.116 58.200 -0.002 0.000 1.021 420 S CB 1.786 64.991 63.200 0.008 0.000 1.018 420 S HN 1.385 nan 8.310 nan 0.000 0.532 421 A N 2.259 125.081 122.820 0.004 0.000 1.908 421 A HA 0.100 4.414 4.320 -0.009 0.000 0.218 421 A C 2.165 179.743 177.584 -0.009 0.000 1.181 421 A CA 1.943 53.980 52.037 -0.001 0.000 0.627 421 A CB -1.871 17.170 19.000 0.069 0.000 0.818 421 A HN 1.225 nan 8.150 nan 0.000 0.445 422 G N -0.943 107.866 108.800 0.015 0.000 2.446 422 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.217 422 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.217 422 G C 1.596 176.496 174.900 0.000 0.000 1.168 422 G CA 1.050 46.155 45.100 0.009 0.000 0.771 422 G HN 0.649 nan 8.290 nan 0.000 0.551 423 Q N -0.292 119.512 119.800 0.006 0.000 2.135 423 Q HA 0.022 4.356 4.340 -0.009 0.000 0.204 423 Q C 2.637 178.633 176.000 -0.006 0.000 0.981 423 Q CA 0.908 56.718 55.803 0.012 0.000 0.856 423 Q CB -0.237 28.509 28.738 0.013 0.000 0.902 423 Q HN 0.455 nan 8.270 nan 0.000 0.425 424 L N -0.029 121.176 121.223 -0.030 0.000 2.093 424 L HA -0.168 4.167 4.340 -0.009 0.000 0.208 424 L C 2.175 178.997 176.870 -0.079 0.000 1.085 424 L CA 0.774 55.583 54.840 -0.052 0.000 0.755 424 L CB -0.259 41.756 42.059 -0.073 0.000 0.904 424 L HN 0.244 nan 8.230 nan 0.000 0.435 425 L N -1.424 119.741 121.223 -0.097 0.000 2.072 425 L HA -0.208 4.127 4.340 -0.009 0.000 0.205 425 L C 2.715 179.493 176.870 -0.152 0.000 1.079 425 L CA 0.857 55.618 54.840 -0.131 0.000 0.752 425 L CB -0.567 41.418 42.059 -0.124 0.000 0.906 425 L HN 0.363 nan 8.230 nan 0.000 0.436 426 C N 0.101 119.339 119.300 -0.102 0.000 2.413 426 C HA -0.130 4.324 4.460 -0.009 0.000 0.276 426 C C 2.938 177.873 174.990 -0.092 0.000 1.236 426 C CA 0.952 59.905 59.018 -0.108 0.000 1.735 426 C CB -1.564 26.229 27.740 0.087 0.000 2.031 426 C HN 0.712 nan 8.230 nan 0.000 0.474 427 G N 0.349 109.146 108.800 -0.005 0.000 2.476 427 G HA2 -0.091 3.863 3.960 -0.009 0.000 0.218 427 G HA3 -0.091 3.863 3.960 -0.009 0.000 0.218 427 G C 1.794 176.680 174.900 -0.024 0.000 1.164 427 G CA 1.304 46.420 45.100 0.027 0.000 0.768 427 G HN 0.594 nan 8.290 nan 0.000 0.560 428 G N 0.408 109.161 108.800 -0.079 0.000 2.408 428 G HA2 -0.076 3.879 3.960 -0.009 0.000 0.217 428 G HA3 -0.076 3.879 3.960 -0.009 0.000 0.217 428 G C 1.718 176.536 174.900 -0.136 0.000 1.150 428 G CA 0.812 45.865 45.100 -0.078 0.000 0.776 428 G HN 0.343 nan 8.290 nan 0.000 0.542 429 L N -0.294 120.748 121.223 -0.301 0.000 2.079 429 L HA 0.087 4.422 4.340 -0.009 0.000 0.210 429 L C 1.506 178.085 176.870 -0.484 0.000 1.081 429 L CA 1.424 55.956 54.840 -0.513 0.000 0.752 429 L CB -0.367 41.140 42.059 -0.921 0.000 0.896 429 L HN 0.244 nan 8.230 nan 0.000 0.433 430 F N -1.997 117.968 119.950 0.025 0.000 2.654 430 F HA 0.326 4.847 4.527 -0.009 0.000 0.303 430 F C 1.340 177.152 175.800 0.021 0.000 1.099 430 F CA -0.438 57.577 58.000 0.024 0.000 1.270 430 F CB -1.108 37.905 39.000 0.023 0.000 1.024 430 F HN -0.039 nan 8.300 nan 0.000 0.548 431 S N -1.232 114.540 115.700 0.120 0.000 2.624 431 S HA 0.074 4.538 4.470 -0.009 0.000 0.263 431 S C 1.358 176.006 174.600 0.079 0.000 1.287 431 S CA 0.027 58.279 58.200 0.087 0.000 0.990 431 S CB 1.227 64.456 63.200 0.049 0.000 0.950 431 S HN 0.123 nan 8.310 nan 0.000 0.561 432 T N -0.106 114.484 114.554 0.061 0.000 3.113 432 T HA 0.065 4.410 4.350 -0.009 0.000 0.256 432 T C 0.049 174.773 174.700 0.040 0.000 1.131 432 T CA 0.564 62.694 62.100 0.049 0.000 1.074 432 T CB -0.835 68.056 68.868 0.038 0.000 0.944 432 T HN 0.730 nan 8.240 nan 0.000 0.516 433 D N 0.330 120.754 120.400 0.040 0.000 2.313 433 D HA 0.255 4.889 4.640 -0.009 0.000 0.239 433 D C 1.421 177.748 176.300 0.045 0.000 1.142 433 D CA -0.059 53.963 54.000 0.036 0.000 0.847 433 D CB 1.316 42.138 40.800 0.036 0.000 1.082 433 D HN 0.135 nan 8.370 nan 0.000 0.480 434 S N 3.439 119.162 115.700 0.038 0.000 2.402 434 S HA -0.180 4.285 4.470 -0.009 0.000 0.229 434 S C 1.806 176.457 174.600 0.085 0.000 1.021 434 S CA 0.408 58.639 58.200 0.051 0.000 0.974 434 S CB -0.263 62.950 63.200 0.022 0.000 0.800 434 S HN 0.464 nan 8.310 nan 0.000 0.484 435 L N 2.259 123.522 121.223 0.065 0.000 2.017 435 L HA -0.003 4.331 4.340 -0.009 0.000 0.208 435 L C 2.939 179.908 176.870 0.166 0.000 1.073 435 L CA 1.751 56.657 54.840 0.109 0.000 0.745 435 L CB -1.340 40.783 42.059 0.108 0.000 0.894 435 L HN 0.313 nan 8.230 nan 0.000 0.432 436 S N -0.555 115.210 115.700 0.108 0.000 2.382 436 S HA -0.169 4.296 4.470 -0.009 0.000 0.228 436 S C 1.729 176.370 174.600 0.068 0.000 1.027 436 S CA 1.435 59.682 58.200 0.079 0.000 0.991 436 S CB -0.639 62.584 63.200 0.039 0.000 0.823 436 S HN 0.553 nan 8.310 nan 0.000 0.469 437 N N -0.110 118.633 118.700 0.073 0.000 2.069 437 N HA -0.178 4.556 4.740 -0.009 0.000 0.191 437 N C 1.571 177.128 175.510 0.077 0.000 1.031 437 N CA 1.495 54.570 53.050 0.041 0.000 0.852 437 N CB -0.214 38.308 38.487 0.058 0.000 1.018 437 N HN 0.493 nan 8.380 nan 0.000 0.423 438 W N 1.711 122.989 121.300 -0.036 0.000 2.354 438 W HA -0.182 4.473 4.660 -0.009 0.000 0.315 438 W C 2.275 178.789 176.519 -0.009 0.000 1.206 438 W CA 0.956 58.281 57.345 -0.033 0.000 1.290 438 W CB -0.542 28.892 29.460 -0.043 0.000 1.152 438 W HN 0.038 nan 8.180 nan 0.000 0.489 439 C N 0.320 119.866 119.300 0.410 0.000 2.413 439 C HA -0.144 4.310 4.460 -0.009 0.000 0.277 439 C C 2.978 177.973 174.990 0.008 0.000 1.265 439 C CA 1.586 60.759 59.018 0.258 0.000 1.752 439 C CB -1.756 26.128 27.740 0.239 0.000 1.998 439 C HN 0.500 nan 8.230 nan 0.000 0.489 440 A N 0.283 123.083 122.820 -0.035 0.000 1.929 440 A HA 0.172 4.487 4.320 -0.009 0.000 0.216 440 A C 2.343 179.849 177.584 -0.130 0.000 1.176 440 A CA 1.817 53.789 52.037 -0.108 0.000 0.628 440 A CB -0.771 18.148 19.000 -0.136 0.000 0.816 440 A HN 0.547 nan 8.150 nan 0.000 0.444 441 A N -0.533 122.191 122.820 -0.159 0.000 1.898 441 A HA 0.033 4.348 4.320 -0.009 0.000 0.216 441 A C 2.213 179.680 177.584 -0.196 0.000 1.181 441 A CA 1.718 53.646 52.037 -0.181 0.000 0.620 441 A CB -0.859 18.017 19.000 -0.207 0.000 0.819 441 A HN 0.346 nan 8.150 nan 0.000 0.442 442 V N -0.095 119.633 119.914 -0.310 0.000 2.358 442 V HA -0.219 3.895 4.120 -0.009 0.000 0.246 442 V C 3.068 179.192 176.094 0.050 0.000 1.047 442 V CA 1.818 63.976 62.300 -0.236 0.000 1.035 442 V CB -1.228 30.262 31.823 -0.556 0.000 0.658 442 V HN 0.608 nan 8.190 nan 0.000 0.452 443 A N -0.329 122.510 122.820 0.031 0.000 1.917 443 A HA -0.240 4.075 4.320 -0.009 0.000 0.219 443 A C 2.176 179.915 177.584 0.258 0.000 1.182 443 A CA 2.209 54.365 52.037 0.199 0.000 0.633 443 A CB -0.610 18.380 19.000 -0.017 0.000 0.819 443 A HN 0.436 nan 8.150 nan 0.000 0.448 444 L N -0.579 120.689 121.223 0.076 0.000 2.093 444 L HA -0.040 4.295 4.340 -0.009 0.000 0.208 444 L C 2.844 179.704 176.870 -0.017 0.000 1.085 444 L CA 1.813 56.660 54.840 0.012 0.000 0.755 444 L CB -0.639 41.364 42.059 -0.092 0.000 0.904 444 L HN 0.376 nan 8.230 nan 0.000 0.435 445 A N -1.598 121.222 122.820 -0.000 0.000 1.940 445 A HA -0.265 4.050 4.320 -0.009 0.000 0.219 445 A C 2.195 179.776 177.584 -0.005 0.000 1.176 445 A CA 1.790 53.816 52.037 -0.018 0.000 0.631 445 A CB -0.938 18.059 19.000 -0.005 0.000 0.814 445 A HN 0.623 nan 8.150 nan 0.000 0.446 446 H N -1.012 118.065 119.070 0.011 0.000 2.491 446 H HA 0.047 4.598 4.556 -0.009 0.000 0.290 446 H C 2.351 177.656 175.328 -0.038 0.000 1.050 446 H CA 0.969 57.027 56.048 0.017 0.000 1.309 446 H CB 0.033 29.829 29.762 0.057 0.000 1.392 446 H HN 0.574 nan 8.280 nan 0.000 0.554 447 A N 0.672 123.540 122.820 0.081 0.000 2.067 447 A HA 0.001 4.315 4.320 -0.009 0.000 0.217 447 A C 2.343 179.875 177.584 -0.087 0.000 1.156 447 A CA 0.520 52.550 52.037 -0.011 0.000 0.683 447 A CB -0.254 18.769 19.000 0.038 0.000 0.808 447 A HN 0.247 nan 8.150 nan 0.000 0.455 448 L N -0.346 120.805 121.223 -0.119 0.000 2.408 448 L HA 0.037 4.372 4.340 -0.009 0.000 0.215 448 L C 1.128 177.924 176.870 -0.123 0.000 1.081 448 L CA -0.080 54.661 54.840 -0.165 0.000 0.840 448 L CB -0.363 41.542 42.059 -0.257 0.000 1.002 448 L HN 0.608 nan 8.230 nan 0.000 0.468 449 Q N 1.432 121.166 119.800 -0.110 0.000 2.286 449 Q HA -0.071 4.264 4.340 -0.009 0.000 0.290 449 Q C -0.321 175.617 176.000 -0.104 0.000 1.049 449 Q CA 0.128 55.867 55.803 -0.106 0.000 0.923 449 Q CB 0.175 28.833 28.738 -0.134 0.000 1.183 449 Q HN 0.282 nan 8.270 nan 0.000 0.383 450 E N 0.027 120.171 120.200 -0.093 0.000 2.883 450 E HA -0.279 4.066 4.350 -0.009 0.000 0.271 450 E C -0.678 175.868 176.600 -0.089 0.000 1.049 450 E CA 0.759 57.105 56.400 -0.089 0.000 0.817 450 E CB -1.103 28.539 29.700 -0.097 0.000 1.407 450 E HN 0.709 nan 8.360 nan 0.000 0.434 451 N N -0.346 118.301 118.700 -0.088 0.000 2.626 451 N HA 0.428 5.163 4.740 -0.009 0.000 0.242 451 N C 0.511 175.981 175.510 -0.067 0.000 1.005 451 N CA 0.615 53.616 53.050 -0.082 0.000 0.905 451 N CB 1.141 39.571 38.487 -0.094 0.000 1.128 451 N HN 0.152 nan 8.380 nan 0.000 0.512 452 A N 2.534 125.322 122.820 -0.054 0.000 1.902 452 A HA -0.115 4.200 4.320 -0.009 0.000 0.217 452 A C 1.891 179.459 177.584 -0.026 0.000 1.181 452 A CA 1.866 53.880 52.037 -0.038 0.000 0.623 452 A CB -0.550 18.430 19.000 -0.033 0.000 0.818 452 A HN 0.609 nan 8.150 nan 0.000 0.443 453 T N -0.050 114.486 114.554 -0.030 0.000 2.708 453 T HA -0.132 4.212 4.350 -0.009 0.000 0.266 453 T C 2.053 176.738 174.700 -0.025 0.000 1.037 453 T CA 1.553 63.640 62.100 -0.022 0.000 1.146 453 T CB -0.224 68.629 68.868 -0.026 0.000 0.865 453 T HN 0.440 nan 8.240 nan 0.000 0.435 454 Q N 1.028 120.800 119.800 -0.048 0.000 2.172 454 Q HA 0.076 4.410 4.340 -0.009 0.000 0.200 454 Q C 2.228 178.174 176.000 -0.089 0.000 0.964 454 Q CA 0.992 56.754 55.803 -0.069 0.000 0.855 454 Q CB -0.243 28.439 28.738 -0.093 0.000 0.918 454 Q HN 0.524 nan 8.270 nan 0.000 0.444 455 K N 0.834 121.194 120.400 -0.067 0.000 2.063 455 K HA -0.150 4.164 4.320 -0.009 0.000 0.208 455 K C 2.003 178.705 176.600 0.171 0.000 1.048 455 K CA 1.225 57.516 56.287 0.007 0.000 0.928 455 K CB 0.034 32.583 32.500 0.082 0.000 0.713 455 K HN 0.285 nan 8.250 nan 0.000 0.442 456 E N 0.391 120.639 120.200 0.079 0.000 2.107 456 E HA -0.147 4.197 4.350 -0.009 0.000 0.191 456 E C 2.211 178.850 176.600 0.065 0.000 0.982 456 E CA 0.649 57.087 56.400 0.063 0.000 0.809 456 E CB 0.138 29.851 29.700 0.021 0.000 0.756 456 E HN 0.262 nan 8.360 nan 0.000 0.459 457 Q N 0.463 120.287 119.800 0.040 0.000 2.084 457 Q HA -0.166 4.168 4.340 -0.009 0.000 0.202 457 Q C 2.332 178.373 176.000 0.068 0.000 0.978 457 Q CA 0.858 56.683 55.803 0.036 0.000 0.844 457 Q CB -0.304 28.438 28.738 0.007 0.000 0.898 457 Q HN 0.226 nan 8.270 nan 0.000 0.426 458 L N 0.691 121.954 121.223 0.067 0.000 2.191 458 L HA -0.105 4.230 4.340 -0.009 0.000 0.212 458 L C 2.064 179.157 176.870 0.371 0.000 1.103 458 L CA 1.032 55.927 54.840 0.092 0.000 0.769 458 L CB -0.372 41.525 42.059 -0.270 0.000 0.908 458 L HN 0.140 nan 8.230 nan 0.000 0.438 459 L N -1.173 120.281 121.223 0.385 0.000 2.353 459 L HA -0.176 4.158 4.340 -0.009 0.000 0.220 459 L C 2.279 179.253 176.870 0.173 0.000 1.133 459 L CA 0.856 55.843 54.840 0.246 0.000 0.798 459 L CB -0.475 41.531 42.059 -0.088 0.000 0.922 459 L HN 0.222 nan 8.230 nan 0.000 0.445 460 R N -0.736 119.851 120.500 0.145 0.000 2.299 460 R HA 0.075 4.410 4.340 -0.009 0.000 0.197 460 R C 0.292 176.666 176.300 0.123 0.000 0.971 460 R CA -0.076 56.096 56.100 0.119 0.000 1.030 460 R CB 0.053 30.404 30.300 0.086 0.000 0.932 460 R HN 0.065 nan 8.270 nan 0.000 0.477 461 V N 2.888 122.893 119.914 0.152 0.000 2.470 461 V HA 0.026 4.140 4.120 -0.009 0.000 0.276 461 V C 0.081 176.260 176.094 0.142 0.000 1.040 461 V CA 0.090 62.474 62.300 0.139 0.000 1.008 461 V CB 1.078 32.992 31.823 0.151 0.000 0.990 461 V HN 0.155 nan 8.190 nan 0.000 0.477 462 Q N 4.547 124.410 119.800 0.105 0.000 2.316 462 Q HA 0.528 4.862 4.340 -0.009 0.000 0.264 462 Q C -0.538 175.506 176.000 0.072 0.000 0.987 462 Q CA -0.648 55.206 55.803 0.085 0.000 0.852 462 Q CB 2.527 31.302 28.738 0.061 0.000 1.287 462 Q HN 0.596 nan 8.270 nan 0.000 0.448 463 L N 1.409 122.665 121.223 0.055 0.000 2.456 463 L HA 0.223 4.558 4.340 -0.009 0.000 0.272 463 L C 0.511 177.383 176.870 0.003 0.000 1.189 463 L CA -0.476 54.379 54.840 0.026 0.000 0.846 463 L CB 0.537 42.559 42.059 -0.061 0.000 1.111 463 L HN 0.643 nan 8.230 nan 0.000 0.475 464 A N 2.688 125.514 122.820 0.011 0.000 2.438 464 A HA 0.364 4.679 4.320 -0.009 0.000 0.280 464 A C 0.493 178.059 177.584 -0.030 0.000 1.160 464 A CA -0.313 51.725 52.037 0.001 0.000 0.821 464 A CB -0.299 18.710 19.000 0.016 0.000 1.101 464 A HN 0.742 nan 8.150 nan 0.000 0.515 465 T N 0.963 115.497 114.554 -0.033 0.000 2.928 465 T HA 0.621 4.966 4.350 -0.009 0.000 0.284 465 T C 0.462 175.141 174.700 -0.035 0.000 1.008 465 T CA -0.102 61.967 62.100 -0.051 0.000 1.057 465 T CB 1.111 69.949 68.868 -0.050 0.000 1.018 465 T HN 0.875 nan 8.240 nan 0.000 0.493 466 S N 2.040 117.716 115.700 -0.039 0.000 2.624 466 S HA 0.402 4.867 4.470 -0.009 0.000 0.263 466 S C 0.455 175.042 174.600 -0.021 0.000 1.287 466 S CA -1.093 57.092 58.200 -0.025 0.000 0.990 466 S CB 0.044 63.229 63.200 -0.024 0.000 0.950 466 S HN 0.884 nan 8.310 nan 0.000 0.561 467 I N 1.380 121.941 120.570 -0.015 0.000 2.826 467 I HA 0.300 4.464 4.170 -0.009 0.000 0.295 467 I C 1.382 177.490 176.117 -0.014 0.000 1.213 467 I CA 1.784 63.076 61.300 -0.012 0.000 1.436 467 I CB -0.370 37.625 38.000 -0.008 0.000 1.348 467 I HN 1.095 nan 8.210 nan 0.000 0.570 468 G N 4.880 113.672 108.800 -0.014 0.000 2.317 468 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.227 468 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.227 468 G C 0.207 175.096 174.900 -0.018 0.000 1.042 468 G CA -0.060 45.032 45.100 -0.014 0.000 0.623 468 G HN 0.603 nan 8.290 nan 0.000 0.509 469 N N 3.191 121.877 118.700 -0.023 0.000 2.513 469 N HA 0.472 5.207 4.740 -0.009 0.000 0.268 469 N C -1.868 173.626 175.510 -0.027 0.000 1.180 469 N CA -0.679 52.353 53.050 -0.030 0.000 0.948 469 N CB 1.002 39.465 38.487 -0.041 0.000 1.083 469 N HN 0.406 nan 8.380 nan 0.000 0.455 470 P HA 0.300 nan 4.420 nan 0.000 0.274 470 P C -2.574 174.712 177.300 -0.023 0.000 1.246 470 P CA -1.002 62.086 63.100 -0.021 0.000 0.795 470 P CB -0.293 31.395 31.700 -0.021 0.000 1.006 471 P HA 0.150 nan 4.420 nan 0.000 0.269 471 P C -0.655 176.639 177.300 -0.011 0.000 1.209 471 P CA 0.135 63.230 63.100 -0.009 0.000 0.776 471 P CB 0.420 32.121 31.700 0.002 0.000 0.876 472 V N 1.507 121.415 119.914 -0.009 0.000 2.891 472 V HA 0.431 4.546 4.120 -0.009 0.000 0.304 472 V C -0.355 175.752 176.094 0.022 0.000 1.171 472 V CA -0.503 61.794 62.300 -0.006 0.000 0.943 472 V CB 2.116 33.917 31.823 -0.036 0.000 1.037 472 V HN 0.750 nan 8.190 nan 0.000 0.427 473 S N 5.587 121.317 115.700 0.048 0.000 2.593 473 S HA 0.253 4.718 4.470 -0.009 0.000 0.269 473 S C 0.986 175.664 174.600 0.129 0.000 1.334 473 S CA 0.298 58.556 58.200 0.095 0.000 1.015 473 S CB 1.302 64.568 63.200 0.110 0.000 0.912 473 S HN 1.248 nan 8.310 nan 0.000 0.541 474 L N 1.709 123.058 121.223 0.210 0.000 2.042 474 L HA -0.026 4.309 4.340 -0.009 0.000 0.210 474 L C 2.167 179.240 176.870 0.339 0.000 1.076 474 L CA 1.794 56.828 54.840 0.323 0.000 0.749 474 L CB -1.119 41.177 42.059 0.395 0.000 0.893 474 L HN 0.853 nan 8.230 nan 0.000 0.432 475 L N -0.600 120.759 121.223 0.226 0.000 1.989 475 L HA -0.248 4.087 4.340 -0.009 0.000 0.211 475 L C 2.549 179.441 176.870 0.037 0.000 1.071 475 L CA 2.196 56.983 54.840 -0.088 0.000 0.749 475 L CB -0.846 40.945 42.059 -0.446 0.000 0.890 475 L HN 0.461 nan 8.230 nan 0.000 0.431 476 Q N -0.842 118.984 119.800 0.043 0.000 2.119 476 Q HA -0.231 4.103 4.340 -0.009 0.000 0.201 476 Q C 2.277 178.296 176.000 0.032 0.000 0.972 476 Q CA 1.823 57.637 55.803 0.018 0.000 0.847 476 Q CB -0.313 28.419 28.738 -0.010 0.000 0.903 476 Q HN 0.633 nan 8.270 nan 0.000 0.433 477 Q N -0.753 119.085 119.800 0.063 0.000 2.084 477 Q HA -0.113 4.221 4.340 -0.009 0.000 0.202 477 Q C 2.074 178.165 176.000 0.152 0.000 0.978 477 Q CA 2.039 57.872 55.803 0.051 0.000 0.844 477 Q CB -0.759 27.961 28.738 -0.030 0.000 0.898 477 Q HN 0.521 nan 8.270 nan 0.000 0.426 478 C N -0.387 119.061 119.300 0.246 0.000 2.413 478 C HA -0.150 4.305 4.460 -0.009 0.000 0.276 478 C C 2.580 177.663 174.990 0.155 0.000 1.248 478 C CA 1.500 60.667 59.018 0.248 0.000 1.742 478 C CB -1.306 26.599 27.740 0.275 0.000 2.017 478 C HN 0.625 nan 8.230 nan 0.000 0.481 479 T N 1.245 115.876 114.554 0.128 0.000 2.777 479 T HA -0.126 4.218 4.350 -0.009 0.000 0.266 479 T C 1.598 176.254 174.700 -0.073 0.000 1.040 479 T CA 1.378 63.529 62.100 0.085 0.000 1.141 479 T CB -0.421 68.523 68.868 0.127 0.000 0.868 479 T HN 0.474 nan 8.240 nan 0.000 0.444 480 N N 1.388 120.043 118.700 -0.074 0.000 2.149 480 N HA -0.012 4.723 4.740 -0.009 0.000 0.188 480 N C 1.756 177.196 175.510 -0.116 0.000 1.019 480 N CA 0.875 53.844 53.050 -0.134 0.000 0.857 480 N CB -0.496 37.937 38.487 -0.089 0.000 0.997 480 N HN 0.417 nan 8.380 nan 0.000 0.426 481 I N 0.777 121.334 120.570 -0.023 0.000 2.567 481 I HA -0.196 3.969 4.170 -0.009 0.000 0.257 481 I C 1.684 177.799 176.117 -0.003 0.000 1.184 481 I CA 0.578 61.889 61.300 0.018 0.000 1.451 481 I CB -0.182 37.880 38.000 0.104 0.000 1.089 481 I HN 0.085 nan 8.210 nan 0.000 0.441 482 L N 0.207 121.406 121.223 -0.040 0.000 2.275 482 L HA -0.124 4.210 4.340 -0.009 0.000 0.215 482 L C 1.768 178.640 176.870 0.004 0.000 1.119 482 L CA 1.062 55.916 54.840 0.022 0.000 0.790 482 L CB -0.494 41.627 42.059 0.104 0.000 0.919 482 L HN 0.341 nan 8.230 nan 0.000 0.443 483 S N -2.303 113.280 115.700 -0.194 0.000 2.562 483 S HA 0.191 4.656 4.470 -0.009 0.000 0.246 483 S C 0.770 175.354 174.600 -0.027 0.000 1.056 483 S CA -0.596 57.552 58.200 -0.087 0.000 1.042 483 S CB 0.472 63.503 63.200 -0.282 0.000 0.822 483 S HN 0.365 nan 8.310 nan 0.000 0.465 484 Q N 0.838 120.635 119.800 -0.005 0.000 2.155 484 Q HA 0.344 4.678 4.340 -0.009 0.000 0.220 484 Q C 0.822 176.836 176.000 0.022 0.000 0.819 484 Q CA -0.026 55.779 55.803 0.002 0.000 1.032 484 Q CB 0.714 29.449 28.738 -0.005 0.000 1.151 484 Q HN 0.782 nan 8.270 nan 0.000 0.487 485 G N 1.862 110.684 108.800 0.038 0.000 2.221 485 G HA2 -0.306 3.649 3.960 -0.009 0.000 0.265 485 G HA3 -0.306 3.649 3.960 -0.009 0.000 0.265 485 G C 0.160 175.080 174.900 0.034 0.000 1.041 485 G CA 0.484 45.606 45.100 0.037 0.000 0.807 485 G HN 0.410 nan 8.290 nan 0.000 0.502 486 S N -0.888 114.837 115.700 0.041 0.000 2.603 486 S HA 0.592 5.057 4.470 -0.009 0.000 0.268 486 S C 0.551 175.173 174.600 0.037 0.000 1.317 486 S CA -0.464 57.761 58.200 0.042 0.000 1.012 486 S CB 1.693 64.925 63.200 0.053 0.000 0.926 486 S HN 0.498 nan 8.310 nan 0.000 0.539 487 K N 0.596 121.013 120.400 0.029 0.000 2.380 487 K HA 0.134 4.448 4.320 -0.009 0.000 0.267 487 K C 1.324 177.935 176.600 0.018 0.000 0.990 487 K CA -0.069 56.227 56.287 0.014 0.000 0.946 487 K CB 0.291 32.793 32.500 0.003 0.000 0.937 487 K HN 0.666 nan 8.250 nan 0.000 0.491 488 I N 1.432 122.002 120.570 -0.000 0.000 2.163 488 I HA -0.387 3.777 4.170 -0.009 0.000 0.243 488 I C 2.412 178.527 176.117 -0.002 0.000 1.085 488 I CA 1.730 63.027 61.300 -0.005 0.000 1.347 488 I CB -0.034 37.947 38.000 -0.032 0.000 1.044 488 I HN 0.720 nan 8.210 nan 0.000 0.408 489 Q N 0.034 119.823 119.800 -0.018 0.000 2.096 489 Q HA -0.230 4.104 4.340 -0.009 0.000 0.204 489 Q C 2.047 178.121 176.000 0.123 0.000 0.982 489 Q CA 2.754 58.562 55.803 0.008 0.000 0.850 489 Q CB -0.099 28.599 28.738 -0.068 0.000 0.901 489 Q HN 0.531 nan 8.270 nan 0.000 0.422 490 T N 0.346 114.949 114.554 0.083 0.000 2.684 490 T HA -0.172 4.172 4.350 -0.009 0.000 0.267 490 T C 1.708 176.452 174.700 0.073 0.000 1.036 490 T CA 1.620 63.773 62.100 0.090 0.000 1.148 490 T CB -0.147 68.762 68.868 0.068 0.000 0.863 490 T HN 0.324 nan 8.240 nan 0.000 0.436 491 R N 0.122 120.659 120.500 0.062 0.000 2.090 491 R HA 0.038 4.373 4.340 -0.009 0.000 0.228 491 R C 2.531 178.850 176.300 0.030 0.000 1.110 491 R CA 0.637 56.774 56.100 0.060 0.000 0.973 491 R CB -0.503 29.844 30.300 0.078 0.000 0.869 491 R HN 0.228 nan 8.270 nan 0.000 0.440 492 V N 0.382 120.306 119.914 0.017 0.000 2.287 492 V HA -0.220 3.894 4.120 -0.009 0.000 0.248 492 V C 2.400 178.422 176.094 -0.120 0.000 1.053 492 V CA 2.236 64.512 62.300 -0.041 0.000 1.027 492 V CB -1.018 30.781 31.823 -0.040 0.000 0.646 492 V HN 0.543 nan 8.190 nan 0.000 0.447 493 G N -0.209 108.538 108.800 -0.089 0.000 2.446 493 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.217 493 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.217 493 G C 1.576 176.338 174.900 -0.230 0.000 1.168 493 G CA 1.124 46.012 45.100 -0.354 0.000 0.771 493 G HN 0.478 nan 8.290 nan 0.000 0.551 494 L N -0.223 120.947 121.223 -0.089 0.000 2.083 494 L HA 0.007 4.342 4.340 -0.009 0.000 0.209 494 L C 2.873 179.739 176.870 -0.007 0.000 1.083 494 L CA 0.458 55.287 54.840 -0.019 0.000 0.752 494 L CB -0.367 41.721 42.059 0.049 0.000 0.899 494 L HN 0.172 nan 8.230 nan 0.000 0.433 495 L N -1.120 120.084 121.223 -0.031 0.000 2.109 495 L HA -0.172 4.162 4.340 -0.009 0.000 0.207 495 L C 2.631 179.440 176.870 -0.102 0.000 1.086 495 L CA 1.116 55.945 54.840 -0.018 0.000 0.760 495 L CB -0.266 41.800 42.059 0.011 0.000 0.910 495 L HN 0.275 nan 8.230 nan 0.000 0.437 496 M N -0.925 118.487 119.600 -0.313 0.000 2.159 496 M HA -0.220 4.255 4.480 -0.009 0.000 0.263 496 M C 2.284 178.514 176.300 -0.118 0.000 1.063 496 M CA 1.515 56.502 55.300 -0.521 0.000 1.110 496 M CB -0.327 31.763 32.600 -0.851 0.000 1.374 496 M HN 0.245 nan 8.290 nan 0.000 0.411 497 L N 0.744 121.914 121.223 -0.088 0.000 2.017 497 L HA -0.141 4.193 4.340 -0.009 0.000 0.208 497 L C 2.027 178.993 176.870 0.161 0.000 1.073 497 L CA 1.859 56.714 54.840 0.025 0.000 0.745 497 L CB -0.600 41.471 42.059 0.020 0.000 0.894 497 L HN 0.222 nan 8.230 nan 0.000 0.432 498 L N -1.512 119.799 121.223 0.148 0.000 2.056 498 L HA -0.240 4.094 4.340 -0.009 0.000 0.207 498 L C 2.615 179.542 176.870 0.094 0.000 1.078 498 L CA 1.248 56.177 54.840 0.149 0.000 0.749 498 L CB -0.699 41.387 42.059 0.044 0.000 0.901 498 L HN 0.390 nan 8.230 nan 0.000 0.433 499 C N -0.606 118.760 119.300 0.110 0.000 2.413 499 C HA -0.176 4.279 4.460 -0.009 0.000 0.276 499 C C 2.948 178.036 174.990 0.163 0.000 1.236 499 C CA 1.507 60.618 59.018 0.156 0.000 1.735 499 C CB -0.947 26.986 27.740 0.322 0.000 2.031 499 C HN 0.536 nan 8.230 nan 0.000 0.474 500 T N -0.419 114.249 114.554 0.190 0.000 2.708 500 T HA -0.213 4.132 4.350 -0.009 0.000 0.266 500 T C 1.602 176.379 174.700 0.128 0.000 1.037 500 T CA 1.555 63.732 62.100 0.129 0.000 1.146 500 T CB -0.339 68.587 68.868 0.096 0.000 0.865 500 T HN 0.676 nan 8.240 nan 0.000 0.435 501 W N 1.527 122.805 121.300 -0.037 0.000 2.335 501 W HA -0.048 4.606 4.660 -0.009 0.000 0.311 501 W C 1.780 178.248 176.519 -0.085 0.000 1.213 501 W CA 0.727 58.039 57.345 -0.054 0.000 1.274 501 W CB -0.984 28.456 29.460 -0.033 0.000 1.148 501 W HN 0.183 nan 8.180 nan 0.000 0.498 502 L N 1.156 122.463 121.223 0.140 0.000 2.240 502 L HA -0.051 4.284 4.340 -0.009 0.000 0.211 502 L C 1.665 178.468 176.870 -0.112 0.000 1.106 502 L CA 1.198 56.026 54.840 -0.020 0.000 0.793 502 L CB -1.461 40.538 42.059 -0.099 0.000 0.927 502 L HN -0.122 nan 8.230 nan 0.000 0.446 503 S N 0.287 115.908 115.700 -0.131 0.000 2.546 503 S HA -0.000 4.464 4.470 -0.009 0.000 0.290 503 S C 0.717 174.863 174.600 -0.757 0.000 1.290 503 S CA 0.123 58.062 58.200 -0.434 0.000 1.069 503 S CB -0.348 62.758 63.200 -0.156 0.000 0.846 503 S HN 0.512 nan 8.310 nan 0.000 0.495 504 N N -0.606 117.018 118.700 -1.794 0.000 2.741 504 N HA -0.184 4.550 4.740 -0.009 0.000 0.251 504 N C -0.498 174.768 175.510 -0.407 0.000 1.112 504 N CA 1.074 53.526 53.050 -0.996 0.000 0.750 504 N CB -1.869 36.361 38.487 -0.429 0.000 1.119 504 N HN 0.786 nan 8.380 nan 0.000 0.561 505 C N -0.530 118.576 119.300 -0.323 0.000 3.418 505 C HA 0.383 4.837 4.460 -0.009 0.000 0.238 505 C C -1.524 173.459 174.990 -0.013 0.000 1.205 505 C CA -1.630 57.333 59.018 -0.093 0.000 1.376 505 C CB 0.537 28.259 27.740 -0.030 0.000 1.826 505 C HN 0.148 nan 8.230 nan 0.000 0.513 506 P HA -0.148 nan 4.420 nan 0.000 0.216 506 P C 1.560 178.909 177.300 0.082 0.000 1.150 506 P CA 1.397 64.554 63.100 0.094 0.000 0.843 506 P CB 0.083 31.839 31.700 0.093 0.000 0.787 507 I N -1.084 119.519 120.570 0.055 0.000 2.315 507 I HA -0.241 3.923 4.170 -0.009 0.000 0.248 507 I C 1.980 178.114 176.117 0.029 0.000 1.117 507 I CA 1.412 62.749 61.300 0.063 0.000 1.404 507 I CB -0.331 37.684 38.000 0.026 0.000 1.071 507 I HN -0.122 nan 8.210 nan 0.000 0.419 508 A N 0.131 122.927 122.820 -0.041 0.000 1.908 508 A HA -0.177 4.138 4.320 -0.009 0.000 0.218 508 A C 2.305 179.887 177.584 -0.004 0.000 1.181 508 A CA 2.038 54.002 52.037 -0.121 0.000 0.627 508 A CB -1.145 17.751 19.000 -0.172 0.000 0.818 508 A HN 0.355 nan 8.150 nan 0.000 0.445 509 V N -0.225 119.721 119.914 0.054 0.000 2.287 509 V HA -0.265 3.849 4.120 -0.009 0.000 0.248 509 V C 2.765 178.984 176.094 0.208 0.000 1.053 509 V CA 2.571 64.947 62.300 0.127 0.000 1.027 509 V CB -1.306 30.604 31.823 0.144 0.000 0.646 509 V HN 0.626 nan 8.190 nan 0.000 0.447 510 T N -1.265 113.406 114.554 0.194 0.000 2.708 510 T HA -0.227 4.118 4.350 -0.009 0.000 0.266 510 T C 1.820 176.658 174.700 0.231 0.000 1.037 510 T CA 1.988 64.212 62.100 0.206 0.000 1.146 510 T CB -0.374 68.600 68.868 0.176 0.000 0.865 510 T HN 0.562 nan 8.240 nan 0.000 0.435 511 H N -0.236 118.869 119.070 0.060 0.000 2.387 511 H HA 0.037 4.588 4.556 -0.009 0.000 0.299 511 H C 1.771 177.146 175.328 0.079 0.000 1.099 511 H CA 1.154 57.225 56.048 0.039 0.000 1.315 511 H CB -0.533 29.216 29.762 -0.021 0.000 1.380 511 H HN 0.340 nan 8.280 nan 0.000 0.513 512 F N 0.561 120.549 119.950 0.063 0.000 2.084 512 F HA -0.122 4.400 4.527 -0.009 0.000 0.296 512 F C 1.958 177.775 175.800 0.028 0.000 1.111 512 F CA 1.204 59.203 58.000 -0.003 0.000 1.224 512 F CB -0.392 38.579 39.000 -0.048 0.000 0.991 512 F HN 0.036 nan 8.300 nan 0.000 0.471 513 L N -0.704 120.614 121.223 0.158 0.000 2.217 513 L HA -0.215 4.120 4.340 -0.009 0.000 0.211 513 L C 2.574 179.497 176.870 0.087 0.000 1.107 513 L CA 1.200 56.069 54.840 0.049 0.000 0.783 513 L CB -1.035 41.123 42.059 0.165 0.000 0.919 513 L HN 0.303 nan 8.230 nan 0.000 0.442 514 H N 0.431 119.515 119.070 0.023 0.000 2.456 514 H HA -0.097 4.453 4.556 -0.009 0.000 0.296 514 H C 0.883 176.191 175.328 -0.033 0.000 1.079 514 H CA 0.584 56.635 56.048 0.006 0.000 1.322 514 H CB 0.285 30.018 29.762 -0.049 0.000 1.388 514 H HN 0.214 nan 8.280 nan 0.000 0.538 515 N N 1.107 119.754 118.700 -0.088 0.000 2.411 515 N HA -0.074 4.661 4.740 -0.009 0.000 0.259 515 N C 1.024 176.441 175.510 -0.155 0.000 1.103 515 N CA 0.492 53.452 53.050 -0.151 0.000 0.954 515 N CB 1.010 39.405 38.487 -0.154 0.000 1.085 515 N HN 0.308 nan 8.380 nan 0.000 0.485 516 S N 2.808 118.440 115.700 -0.113 0.000 2.474 516 S HA -0.086 4.378 4.470 -0.009 0.000 0.235 516 S C 1.676 176.264 174.600 -0.021 0.000 0.997 516 S CA 0.707 58.891 58.200 -0.027 0.000 0.949 516 S CB -0.050 63.130 63.200 -0.033 0.000 0.766 516 S HN 0.563 nan 8.310 nan 0.000 0.517 517 A N 2.228 125.007 122.820 -0.068 0.000 2.067 517 A HA 0.051 4.365 4.320 -0.009 0.000 0.217 517 A C 2.059 179.618 177.584 -0.041 0.000 1.156 517 A CA 0.981 52.991 52.037 -0.045 0.000 0.683 517 A CB -0.521 18.438 19.000 -0.068 0.000 0.808 517 A HN 0.538 nan 8.150 nan 0.000 0.455 518 N N 0.341 118.940 118.700 -0.168 0.000 2.106 518 N HA -0.105 4.630 4.740 -0.009 0.000 0.188 518 N C 1.706 177.182 175.510 -0.057 0.000 1.029 518 N CA 1.618 54.529 53.050 -0.232 0.000 0.848 518 N CB -0.629 37.352 38.487 -0.843 0.000 1.007 518 N HN 0.232 nan 8.380 nan 0.000 0.423 519 V N 2.148 121.955 119.914 -0.177 0.000 2.295 519 V HA -0.135 3.980 4.120 -0.009 0.000 0.246 519 V C -0.728 175.356 176.094 -0.016 0.000 1.049 519 V CA 1.719 63.920 62.300 -0.164 0.000 1.024 519 V CB -1.410 30.058 31.823 -0.592 0.000 0.648 519 V HN 0.228 nan 8.190 nan 0.000 0.447 520 P HA -0.204 nan 4.420 nan 0.000 0.215 520 P C 1.735 179.090 177.300 0.092 0.000 1.153 520 P CA 1.528 64.671 63.100 0.071 0.000 0.853 520 P CB -0.177 31.574 31.700 0.086 0.000 0.788 521 F N 0.523 120.473 119.950 0.001 0.000 2.065 521 F HA -0.221 4.301 4.527 -0.009 0.000 0.298 521 F C 2.023 177.853 175.800 0.050 0.000 1.112 521 F CA 1.600 59.613 58.000 0.021 0.000 1.212 521 F CB -1.196 37.811 39.000 0.013 0.000 0.975 521 F HN -0.259 nan 8.300 nan 0.000 0.476 522 L N 0.080 121.209 121.223 -0.157 0.000 1.989 522 L HA -0.272 4.062 4.340 -0.009 0.000 0.211 522 L C 2.693 179.473 176.870 -0.150 0.000 1.071 522 L CA 2.226 56.945 54.840 -0.203 0.000 0.749 522 L CB -1.478 40.629 42.059 0.081 0.000 0.890 522 L HN 0.417 nan 8.230 nan 0.000 0.431 523 T N -3.138 111.384 114.554 -0.054 0.000 2.788 523 T HA -0.109 4.236 4.350 -0.009 0.000 0.268 523 T C 1.905 176.580 174.700 -0.041 0.000 1.044 523 T CA 1.045 63.136 62.100 -0.014 0.000 1.139 523 T CB -0.933 67.942 68.868 0.011 0.000 0.867 523 T HN 0.405 nan 8.240 nan 0.000 0.454 524 G N 0.926 109.680 108.800 -0.077 0.000 2.421 524 G HA2 -0.187 3.767 3.960 -0.009 0.000 0.216 524 G HA3 -0.187 3.767 3.960 -0.009 0.000 0.216 524 G C 1.768 176.602 174.900 -0.109 0.000 1.171 524 G CA 0.536 45.595 45.100 -0.067 0.000 0.775 524 G HN 0.410 nan 8.290 nan 0.000 0.543 525 Q N 0.149 119.799 119.800 -0.250 0.000 2.084 525 Q HA -0.023 4.312 4.340 -0.009 0.000 0.202 525 Q C 2.733 178.676 176.000 -0.095 0.000 0.978 525 Q CA 0.990 56.657 55.803 -0.228 0.000 0.844 525 Q CB -0.248 28.235 28.738 -0.425 0.000 0.898 525 Q HN 0.601 nan 8.270 nan 0.000 0.426 526 I N 0.252 120.779 120.570 -0.071 0.000 2.439 526 I HA -0.173 3.991 4.170 -0.009 0.000 0.251 526 I C 2.242 178.375 176.117 0.027 0.000 1.139 526 I CA 0.829 62.128 61.300 -0.001 0.000 1.438 526 I CB -0.302 37.723 38.000 0.042 0.000 1.085 526 I HN 0.014 nan 8.210 nan 0.000 0.427 527 A N 0.166 122.996 122.820 0.017 0.000 2.014 527 A HA -0.057 4.257 4.320 -0.009 0.000 0.218 527 A C 1.130 178.731 177.584 0.029 0.000 1.163 527 A CA 0.561 52.615 52.037 0.029 0.000 0.652 527 A CB -0.420 18.593 19.000 0.022 0.000 0.808 527 A HN 0.361 nan 8.150 nan 0.000 0.449 528 E N 0.709 120.921 120.200 0.020 0.000 2.408 528 E HA 0.105 4.450 4.350 -0.009 0.000 0.259 528 E C -0.773 175.850 176.600 0.038 0.000 1.110 528 E CA -0.237 56.177 56.400 0.024 0.000 0.929 528 E CB 0.224 29.932 29.700 0.014 0.000 0.971 528 E HN 0.303 nan 8.360 nan 0.000 0.438 529 N N 2.360 121.080 118.700 0.033 0.000 3.194 529 N HA 0.221 4.956 4.740 -0.009 0.000 0.271 529 N C -0.935 174.588 175.510 0.022 0.000 1.308 529 N CA -0.067 53.005 53.050 0.036 0.000 1.042 529 N CB 0.138 38.644 38.487 0.032 0.000 1.310 529 N HN 0.246 nan 8.380 nan 0.000 0.502 530 L N -0.689 120.546 121.223 0.019 0.000 2.416 530 L HA 0.617 4.952 4.340 -0.009 0.000 0.263 530 L C 1.541 178.398 176.870 -0.022 0.000 1.065 530 L CA -1.045 53.796 54.840 0.002 0.000 0.798 530 L CB 0.588 42.650 42.059 0.005 0.000 1.267 530 L HN 0.249 nan 8.230 nan 0.000 0.467 531 G N -0.680 108.102 108.800 -0.030 0.000 2.699 531 G HA2 0.019 3.973 3.960 -0.009 0.000 0.246 531 G HA3 0.019 3.973 3.960 -0.009 0.000 0.246 531 G C 0.605 175.454 174.900 -0.085 0.000 1.219 531 G CA -0.129 44.941 45.100 -0.050 0.000 0.866 531 G HN 0.859 nan 8.290 nan 0.000 0.572 532 E N -0.043 120.093 120.200 -0.106 0.000 2.085 532 E HA -0.223 4.122 4.350 -0.009 0.000 0.194 532 E C 2.259 178.780 176.600 -0.131 0.000 0.994 532 E CA 1.737 58.043 56.400 -0.157 0.000 0.801 532 E CB -0.021 29.595 29.700 -0.140 0.000 0.743 532 E HN 0.647 nan 8.360 nan 0.000 0.453 533 E N 0.715 120.867 120.200 -0.080 0.000 2.110 533 E HA -0.247 4.098 4.350 -0.009 0.000 0.193 533 E C 1.800 178.379 176.600 -0.034 0.000 0.988 533 E CA 1.400 57.772 56.400 -0.046 0.000 0.804 533 E CB -0.338 29.335 29.700 -0.045 0.000 0.745 533 E HN 0.254 nan 8.360 nan 0.000 0.458 534 E N 1.031 121.207 120.200 -0.040 0.000 2.347 534 E HA -0.086 4.259 4.350 -0.009 0.000 0.196 534 E C 2.069 178.660 176.600 -0.015 0.000 1.008 534 E CA 0.688 57.077 56.400 -0.018 0.000 0.852 534 E CB -0.031 29.663 29.700 -0.010 0.000 0.783 534 E HN 0.376 nan 8.360 nan 0.000 0.505 535 Q N -0.516 119.236 119.800 -0.081 0.000 2.124 535 Q HA -0.154 4.180 4.340 -0.009 0.000 0.202 535 Q C 1.951 177.984 176.000 0.054 0.000 0.977 535 Q CA 1.098 56.826 55.803 -0.124 0.000 0.850 535 Q CB -0.132 28.218 28.738 -0.646 0.000 0.901 535 Q HN 0.278 nan 8.270 nan 0.000 0.429 536 L N 0.118 121.375 121.223 0.056 0.000 2.042 536 L HA -0.167 4.168 4.340 -0.009 0.000 0.210 536 L C 2.076 179.018 176.870 0.121 0.000 1.076 536 L CA 1.500 56.426 54.840 0.145 0.000 0.749 536 L CB -0.555 41.563 42.059 0.097 0.000 0.893 536 L HN -0.008 nan 8.230 nan 0.000 0.432 537 V N -0.455 119.502 119.914 0.071 0.000 2.343 537 V HA -0.339 3.776 4.120 -0.009 0.000 0.247 537 V C 2.583 178.726 176.094 0.081 0.000 1.051 537 V CA 2.001 64.342 62.300 0.068 0.000 1.036 537 V CB -0.661 31.196 31.823 0.056 0.000 0.654 537 V HN 0.565 nan 8.190 nan 0.000 0.451 538 Q N -0.053 119.802 119.800 0.092 0.000 2.061 538 Q HA -0.179 4.155 4.340 -0.009 0.000 0.204 538 Q C 2.403 178.454 176.000 0.084 0.000 0.984 538 Q CA 1.814 57.670 55.803 0.089 0.000 0.846 538 Q CB -0.604 28.223 28.738 0.148 0.000 0.902 538 Q HN 0.729 nan 8.270 nan 0.000 0.421 539 G N 0.929 109.830 108.800 0.168 0.000 2.418 539 G HA2 -0.228 3.726 3.960 -0.009 0.000 0.217 539 G HA3 -0.228 3.726 3.960 -0.009 0.000 0.217 539 G C 1.406 176.342 174.900 0.059 0.000 1.158 539 G CA 0.605 45.761 45.100 0.094 0.000 0.771 539 G HN 0.180 nan 8.290 nan 0.000 0.545 540 L N 0.057 121.354 121.223 0.124 0.000 2.083 540 L HA -0.102 4.233 4.340 -0.009 0.000 0.209 540 L C 3.028 179.956 176.870 0.096 0.000 1.083 540 L CA 0.632 55.557 54.840 0.142 0.000 0.752 540 L CB -0.571 41.566 42.059 0.130 0.000 0.899 540 L HN 0.243 nan 8.230 nan 0.000 0.433 541 C N -0.091 119.250 119.300 0.068 0.000 2.413 541 C HA -0.162 4.293 4.460 -0.009 0.000 0.277 541 C C 3.154 178.173 174.990 0.048 0.000 1.265 541 C CA 0.782 59.834 59.018 0.056 0.000 1.752 541 C CB -1.071 26.666 27.740 -0.004 0.000 1.998 541 C HN 0.620 nan 8.230 nan 0.000 0.489 542 A N 0.009 122.807 122.820 -0.037 0.000 1.898 542 A HA -0.103 4.211 4.320 -0.009 0.000 0.216 542 A C 2.028 179.575 177.584 -0.062 0.000 1.181 542 A CA 1.528 53.460 52.037 -0.175 0.000 0.620 542 A CB -0.602 17.998 19.000 -0.665 0.000 0.819 542 A HN 0.489 nan 8.150 nan 0.000 0.442 543 L N -0.744 120.460 121.223 -0.032 0.000 2.017 543 L HA -0.116 4.219 4.340 -0.009 0.000 0.208 543 L C 2.232 179.160 176.870 0.097 0.000 1.073 543 L CA 1.992 56.856 54.840 0.040 0.000 0.745 543 L CB -0.655 41.460 42.059 0.094 0.000 0.894 543 L HN 0.323 nan 8.230 nan 0.000 0.432 544 L N -0.984 120.293 121.223 0.090 0.000 2.042 544 L HA -0.190 4.145 4.340 -0.009 0.000 0.210 544 L C 2.325 179.227 176.870 0.053 0.000 1.076 544 L CA 1.802 56.664 54.840 0.036 0.000 0.749 544 L CB -0.866 41.188 42.059 -0.009 0.000 0.893 544 L HN 0.396 nan 8.230 nan 0.000 0.432 545 L N -0.461 120.845 121.223 0.138 0.000 2.093 545 L HA -0.001 4.334 4.340 -0.009 0.000 0.208 545 L C 2.334 179.311 176.870 0.179 0.000 1.085 545 L CA 1.991 56.936 54.840 0.174 0.000 0.755 545 L CB -1.373 40.831 42.059 0.241 0.000 0.904 545 L HN 0.303 nan 8.230 nan 0.000 0.435 546 G N -0.359 108.605 108.800 0.273 0.000 2.418 546 G HA2 -0.256 3.698 3.960 -0.009 0.000 0.217 546 G HA3 -0.256 3.698 3.960 -0.009 0.000 0.217 546 G C 1.661 176.650 174.900 0.149 0.000 1.158 546 G CA 1.105 46.338 45.100 0.221 0.000 0.771 546 G HN 0.462 nan 8.290 nan 0.000 0.545 547 I N 1.734 122.403 120.570 0.165 0.000 2.286 547 I HA -0.193 3.972 4.170 -0.009 0.000 0.248 547 I C 2.997 179.272 176.117 0.264 0.000 1.115 547 I CA 1.509 62.971 61.300 0.270 0.000 1.392 547 I CB -0.088 38.062 38.000 0.250 0.000 1.065 547 I HN 0.357 nan 8.210 nan 0.000 0.418 548 S N 0.222 116.012 115.700 0.149 0.000 2.522 548 S HA 0.051 4.516 4.470 -0.009 0.000 0.227 548 S C 1.709 176.382 174.600 0.121 0.000 0.986 548 S CA 0.381 58.662 58.200 0.135 0.000 0.929 548 S CB -0.342 62.929 63.200 0.117 0.000 0.769 548 S HN 0.428 nan 8.310 nan 0.000 0.529 549 I N -0.713 119.916 120.570 0.098 0.000 2.556 549 I HA 0.086 4.251 4.170 -0.009 0.000 0.251 549 I C 2.330 178.465 176.117 0.030 0.000 1.105 549 I CA 0.721 62.053 61.300 0.054 0.000 1.436 549 I CB -0.421 37.587 38.000 0.014 0.000 1.139 549 I HN 0.235 nan 8.210 nan 0.000 0.438 550 Y N 1.336 121.554 120.300 -0.138 0.000 2.224 550 Y HA -0.162 4.383 4.550 -0.009 0.000 0.289 550 Y C 1.529 177.141 175.900 -0.479 0.000 1.146 550 Y CA 1.586 59.470 58.100 -0.360 0.000 1.182 550 Y CB -0.043 38.084 38.460 -0.554 0.000 0.983 550 Y HN 0.015 nan 8.280 nan 0.000 0.524 551 F N 0.100 120.097 119.950 0.077 0.000 2.668 551 F HA 0.200 4.721 4.527 -0.009 0.000 0.297 551 F C 0.405 176.209 175.800 0.006 0.000 1.124 551 F CA -0.503 57.502 58.000 0.009 0.000 1.353 551 F CB -0.540 38.510 39.000 0.083 0.000 0.992 551 F HN -0.066 nan 8.300 nan 0.000 0.524 552 N N 1.761 120.518 118.700 0.094 0.000 2.408 552 N HA -0.004 4.730 4.740 -0.009 0.000 0.257 552 N C 0.419 175.959 175.510 0.049 0.000 1.064 552 N CA 0.114 53.217 53.050 0.088 0.000 0.952 552 N CB 0.886 39.417 38.487 0.073 0.000 1.093 552 N HN 0.198 nan 8.380 nan 0.000 0.490 553 D N 2.266 122.705 120.400 0.066 0.000 2.328 553 D HA 0.009 4.643 4.640 -0.009 0.000 0.226 553 D C -0.208 176.114 176.300 0.037 0.000 1.066 553 D CA -0.045 53.980 54.000 0.042 0.000 0.861 553 D CB -0.270 40.561 40.800 0.051 0.000 0.912 553 D HN 0.388 nan 8.370 nan 0.000 0.521 554 N N -0.463 118.266 118.700 0.047 0.000 2.714 554 N HA -0.205 4.530 4.740 -0.009 0.000 0.250 554 N C 0.720 176.256 175.510 0.044 0.000 1.117 554 N CA 1.076 54.153 53.050 0.044 0.000 0.719 554 N CB -1.795 36.707 38.487 0.025 0.000 1.081 554 N HN 0.490 nan 8.380 nan 0.000 0.557 555 S N -1.863 113.870 115.700 0.054 0.000 2.501 555 S HA 0.114 4.578 4.470 -0.009 0.000 0.220 555 S C 0.648 175.282 174.600 0.056 0.000 0.997 555 S CA -0.095 58.133 58.200 0.048 0.000 0.919 555 S CB 0.481 63.710 63.200 0.048 0.000 0.778 555 S HN 0.254 nan 8.310 nan 0.000 0.523 556 L N 2.642 123.912 121.223 0.078 0.000 2.287 556 L HA 0.532 4.866 4.340 -0.009 0.000 0.280 556 L C 1.068 177.981 176.870 0.071 0.000 1.055 556 L CA -0.323 54.574 54.840 0.096 0.000 0.863 556 L CB 1.018 43.168 42.059 0.153 0.000 1.245 556 L HN 0.080 nan 8.230 nan 0.000 0.432 557 E N 1.291 121.512 120.200 0.035 0.000 2.114 557 E HA -0.272 4.073 4.350 -0.009 0.000 0.199 557 E C 1.713 178.284 176.600 -0.048 0.000 1.008 557 E CA 2.297 58.696 56.400 -0.002 0.000 0.810 557 E CB 0.152 29.845 29.700 -0.012 0.000 0.739 557 E HN 0.811 nan 8.360 nan 0.000 0.456 558 T N -2.625 111.880 114.554 -0.082 0.000 2.833 558 T HA -0.196 4.148 4.350 -0.009 0.000 0.269 558 T C 0.425 174.856 174.700 -0.449 0.000 1.054 558 T CA 1.242 63.179 62.100 -0.273 0.000 1.135 558 T CB -0.311 68.383 68.868 -0.290 0.000 0.869 558 T HN 0.180 nan 8.240 nan 0.000 0.466 559 Y N 0.781 121.094 120.300 0.022 0.000 2.535 559 Y HA 0.563 5.107 4.550 -0.009 0.000 0.351 559 Y C 0.035 175.955 175.900 0.033 0.000 1.050 559 Y CA -1.313 56.803 58.100 0.028 0.000 1.168 559 Y CB 0.261 38.746 38.460 0.042 0.000 1.116 559 Y HN 0.136 nan 8.280 nan 0.000 0.654 560 M N 0.695 120.371 119.600 0.127 0.000 2.227 560 M HA 0.204 4.678 4.480 -0.009 0.000 0.316 560 M C 1.512 177.862 176.300 0.084 0.000 1.144 560 M CA -0.014 55.338 55.300 0.086 0.000 1.121 560 M CB 1.053 33.677 32.600 0.041 0.000 1.440 560 M HN 0.424 nan 8.290 nan 0.000 0.473 561 K N 0.587 121.017 120.400 0.051 0.000 2.044 561 K HA -0.257 4.058 4.320 -0.009 0.000 0.210 561 K C 1.737 178.347 176.600 0.017 0.000 1.049 561 K CA 2.089 58.393 56.287 0.028 0.000 0.927 561 K CB -0.153 32.348 32.500 0.002 0.000 0.713 561 K HN 0.532 nan 8.250 nan 0.000 0.443 562 E N 1.068 121.275 120.200 0.013 0.000 2.110 562 E HA -0.170 4.174 4.350 -0.009 0.000 0.193 562 E C 1.626 178.233 176.600 0.012 0.000 0.988 562 E CA 1.411 57.813 56.400 0.004 0.000 0.804 562 E CB 0.177 29.877 29.700 0.001 0.000 0.745 562 E HN 0.062 nan 8.360 nan 0.000 0.458 563 K N 0.234 120.653 120.400 0.032 0.000 2.026 563 K HA -0.115 4.199 4.320 -0.009 0.000 0.208 563 K C 2.283 178.932 176.600 0.082 0.000 1.048 563 K CA 1.137 57.453 56.287 0.049 0.000 0.929 563 K CB -0.701 31.828 32.500 0.049 0.000 0.713 563 K HN 0.281 nan 8.250 nan 0.000 0.439 564 L N 1.000 122.285 121.223 0.104 0.000 2.046 564 L HA -0.166 4.169 4.340 -0.009 0.000 0.208 564 L C 2.461 179.310 176.870 -0.035 0.000 1.077 564 L CA 1.347 56.226 54.840 0.066 0.000 0.747 564 L CB -0.338 41.749 42.059 0.046 0.000 0.896 564 L HN 0.181 nan 8.230 nan 0.000 0.432 565 K N -0.344 120.024 120.400 -0.053 0.000 2.057 565 K HA -0.212 4.102 4.320 -0.009 0.000 0.206 565 K C 2.202 178.753 176.600 -0.082 0.000 1.050 565 K CA 1.328 57.551 56.287 -0.107 0.000 0.935 565 K CB -0.116 32.336 32.500 -0.081 0.000 0.715 565 K HN 0.277 nan 8.250 nan 0.000 0.439 566 Q N 0.754 120.533 119.800 -0.035 0.000 2.084 566 Q HA -0.088 4.246 4.340 -0.009 0.000 0.202 566 Q C 2.112 178.102 176.000 -0.018 0.000 0.978 566 Q CA 1.079 56.870 55.803 -0.021 0.000 0.844 566 Q CB 0.021 28.755 28.738 -0.005 0.000 0.898 566 Q HN 0.276 nan 8.270 nan 0.000 0.426 567 L N 0.115 121.335 121.223 -0.004 0.000 2.042 567 L HA -0.251 4.084 4.340 -0.009 0.000 0.210 567 L C 2.242 179.093 176.870 -0.031 0.000 1.076 567 L CA 1.211 56.055 54.840 0.007 0.000 0.749 567 L CB -0.423 41.666 42.059 0.051 0.000 0.893 567 L HN 0.352 nan 8.230 nan 0.000 0.432 568 I N -0.328 120.184 120.570 -0.097 0.000 2.163 568 I HA -0.337 3.828 4.170 -0.009 0.000 0.243 568 I C 2.582 178.651 176.117 -0.079 0.000 1.085 568 I CA 1.398 62.608 61.300 -0.151 0.000 1.347 568 I CB -0.235 37.524 38.000 -0.402 0.000 1.044 568 I HN 0.317 nan 8.210 nan 0.000 0.408 569 E N 0.726 120.884 120.200 -0.069 0.000 2.077 569 E HA -0.273 4.072 4.350 -0.009 0.000 0.193 569 E C 2.079 178.676 176.600 -0.004 0.000 0.989 569 E CA 1.419 57.803 56.400 -0.027 0.000 0.800 569 E CB 0.195 29.883 29.700 -0.020 0.000 0.746 569 E HN 0.208 nan 8.360 nan 0.000 0.452 570 K N 0.181 120.579 120.400 -0.004 0.000 2.007 570 K HA 0.012 4.327 4.320 -0.009 0.000 0.206 570 K C 2.126 178.733 176.600 0.013 0.000 1.047 570 K CA 1.064 57.355 56.287 0.007 0.000 0.937 570 K CB -0.069 32.435 32.500 0.008 0.000 0.718 570 K HN -0.018 nan 8.250 nan 0.000 0.438 571 R N 0.130 120.638 120.500 0.013 0.000 2.115 571 R HA 0.044 4.379 4.340 -0.009 0.000 0.226 571 R C 1.958 178.274 176.300 0.027 0.000 1.100 571 R CA 1.059 57.171 56.100 0.020 0.000 0.980 571 R CB -0.048 30.264 30.300 0.021 0.000 0.875 571 R HN 0.299 nan 8.270 nan 0.000 0.445 572 I N -2.145 118.443 120.570 0.031 0.000 4.706 572 I HA 0.180 4.344 4.170 -0.009 0.000 0.321 572 I C -0.184 175.967 176.117 0.056 0.000 1.249 572 I CA 1.091 62.422 61.300 0.053 0.000 1.321 572 I CB 0.733 38.786 38.000 0.088 0.000 1.342 572 I HN 0.209 nan 8.210 nan 0.000 0.463 573 G N 3.273 112.099 108.800 0.042 0.000 2.895 573 G HA2 -0.203 3.752 3.960 -0.009 0.000 0.686 573 G HA3 -0.203 3.752 3.960 -0.009 0.000 0.686 573 G C 0.097 175.038 174.900 0.068 0.000 1.108 573 G CA 0.078 45.206 45.100 0.048 0.000 0.761 573 G HN 0.361 nan 8.290 nan 0.000 0.611 574 K N 0.761 121.197 120.400 0.061 0.000 2.026 574 K HA -0.092 4.222 4.320 -0.009 0.000 0.208 574 K C 2.295 178.970 176.600 0.125 0.000 1.048 574 K CA 1.847 58.167 56.287 0.055 0.000 0.929 574 K CB 0.004 32.545 32.500 0.069 0.000 0.713 574 K HN 0.626 nan 8.250 nan 0.000 0.439 575 E N 0.784 121.093 120.200 0.182 0.000 2.077 575 E HA -0.167 4.178 4.350 -0.009 0.000 0.193 575 E C 1.908 178.564 176.600 0.092 0.000 0.989 575 E CA 0.940 57.456 56.400 0.193 0.000 0.800 575 E CB 0.069 29.864 29.700 0.157 0.000 0.746 575 E HN 0.196 nan 8.360 nan 0.000 0.452 576 N N -0.296 118.449 118.700 0.075 0.000 2.104 576 N HA -0.188 4.546 4.740 -0.009 0.000 0.190 576 N C 1.741 177.255 175.510 0.007 0.000 1.024 576 N CA 1.024 54.094 53.050 0.033 0.000 0.853 576 N CB -0.224 38.294 38.487 0.053 0.000 1.008 576 N HN 0.159 nan 8.380 nan 0.000 0.424 577 F N 1.750 121.647 119.950 -0.089 0.000 2.120 577 F HA -0.186 4.335 4.527 -0.009 0.000 0.300 577 F C 2.120 177.819 175.800 -0.169 0.000 1.095 577 F CA 1.185 59.113 58.000 -0.120 0.000 1.249 577 F CB -0.170 38.758 39.000 -0.121 0.000 0.995 577 F HN -0.016 nan 8.300 nan 0.000 0.480 578 I N 0.493 120.996 120.570 -0.110 0.000 2.286 578 I HA -0.210 3.954 4.170 -0.009 0.000 0.245 578 I C 2.408 178.357 176.117 -0.280 0.000 1.104 578 I CA 1.316 62.490 61.300 -0.209 0.000 1.397 578 I CB -1.565 36.384 38.000 -0.086 0.000 1.072 578 I HN 0.324 nan 8.210 nan 0.000 0.417 579 E N 1.406 121.457 120.200 -0.248 0.000 2.070 579 E HA -0.261 4.083 4.350 -0.009 0.000 0.197 579 E C 2.043 178.140 176.600 -0.838 0.000 1.004 579 E CA 1.557 57.727 56.400 -0.383 0.000 0.805 579 E CB 0.171 29.721 29.700 -0.250 0.000 0.744 579 E HN 0.323 nan 8.360 nan 0.000 0.451 580 K N 0.414 120.336 120.400 -0.798 0.000 2.057 580 K HA -0.156 4.159 4.320 -0.009 0.000 0.206 580 K C 2.334 178.528 176.600 -0.675 0.000 1.050 580 K CA 0.656 56.354 56.287 -0.983 0.000 0.935 580 K CB -0.609 31.650 32.500 -0.401 0.000 0.715 580 K HN 0.211 nan 8.250 nan 0.000 0.439 581 L N 1.334 122.208 121.223 -0.582 0.000 2.079 581 L HA -0.077 4.258 4.340 -0.009 0.000 0.210 581 L C 2.113 178.808 176.870 -0.291 0.000 1.081 581 L CA 2.062 56.647 54.840 -0.426 0.000 0.752 581 L CB -1.001 40.758 42.059 -0.499 0.000 0.896 581 L HN 0.235 nan 8.230 nan 0.000 0.433 582 G N -1.522 107.074 108.800 -0.340 0.000 2.470 582 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.220 582 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.220 582 G C 1.278 176.119 174.900 -0.099 0.000 1.121 582 G CA 0.585 45.550 45.100 -0.226 0.000 0.766 582 G HN 0.389 nan 8.290 nan 0.000 0.553 583 F N 1.083 120.997 119.950 -0.060 0.000 2.161 583 F HA 0.003 4.525 4.527 -0.009 0.000 0.300 583 F C 2.564 178.384 175.800 0.033 0.000 1.089 583 F CA 0.002 58.001 58.000 -0.002 0.000 1.282 583 F CB -0.664 38.353 39.000 0.029 0.000 1.010 583 F HN 0.120 nan 8.300 nan 0.000 0.485 584 I N -0.120 120.562 120.570 0.188 0.000 2.099 584 I HA -0.338 3.827 4.170 -0.009 0.000 0.239 584 I C 2.545 178.532 176.117 -0.217 0.000 1.066 584 I CA 1.957 63.352 61.300 0.158 0.000 1.324 584 I CB -0.837 37.253 38.000 0.151 0.000 1.037 584 I HN 0.151 nan 8.210 nan 0.000 0.401 585 S N 0.341 115.705 115.700 -0.560 0.000 2.489 585 S HA -0.048 4.416 4.470 -0.009 0.000 0.228 585 S C 1.727 176.009 174.600 -0.530 0.000 0.995 585 S CA 0.482 57.939 58.200 -1.239 0.000 0.934 585 S CB -0.312 62.373 63.200 -0.857 0.000 0.771 585 S HN 0.403 nan 8.310 nan 0.000 0.522 586 K N 0.450 120.750 120.400 -0.167 0.000 2.426 586 K HA 0.098 4.412 4.320 -0.009 0.000 0.193 586 K C 0.657 177.315 176.600 0.097 0.000 1.028 586 K CA -0.067 56.219 56.287 -0.001 0.000 1.047 586 K CB -0.093 32.443 32.500 0.059 0.000 0.821 586 K HN 0.535 nan 8.250 nan 0.000 0.513 587 H N 2.293 121.405 119.070 0.069 0.000 2.790 587 H HA -0.056 4.494 4.556 -0.009 0.000 0.358 587 H C 0.979 176.431 175.328 0.206 0.000 1.103 587 H CA 0.856 57.018 56.048 0.190 0.000 1.426 587 H CB 1.084 31.088 29.762 0.404 0.000 1.424 587 H HN 0.284 nan 8.280 nan 0.000 0.599 588 E N 3.632 123.832 120.200 0.001 0.000 2.153 588 E HA -0.138 4.207 4.350 -0.009 0.000 0.194 588 E C 1.286 178.099 176.600 0.354 0.000 0.988 588 E CA 1.113 57.595 56.400 0.136 0.000 0.811 588 E CB -0.023 29.682 29.700 0.008 0.000 0.746 588 E HN 0.614 nan 8.360 nan 0.000 0.466 589 L N -0.255 121.376 121.223 0.680 0.000 2.567 589 L HA 0.072 4.406 4.340 -0.009 0.000 0.225 589 L C 2.084 179.245 176.870 0.485 0.000 1.119 589 L CA 0.087 55.288 54.840 0.601 0.000 0.871 589 L CB -0.231 42.227 42.059 0.664 0.000 1.036 589 L HN 0.160 nan 8.230 nan 0.000 0.459 590 Y N 0.459 120.850 120.300 0.153 0.000 2.163 590 Y HA -0.293 4.251 4.550 -0.009 0.000 0.288 590 Y C 2.931 178.774 175.900 -0.096 0.000 1.136 590 Y CA 1.829 59.708 58.100 -0.368 0.000 1.147 590 Y CB -0.032 38.123 38.460 -0.508 0.000 0.987 590 Y HN 0.132 nan 8.280 nan 0.000 0.509 591 S N 0.223 116.042 115.700 0.198 0.000 2.374 591 S HA -0.311 4.154 4.470 -0.009 0.000 0.227 591 S C 2.288 176.917 174.600 0.047 0.000 1.037 591 S CA 1.874 60.147 58.200 0.122 0.000 1.024 591 S CB -0.555 62.735 63.200 0.151 0.000 0.861 591 S HN 0.623 nan 8.310 nan 0.000 0.456 592 R N 0.312 120.871 120.500 0.098 0.000 2.075 592 R HA 0.039 4.374 4.340 -0.009 0.000 0.232 592 R C 2.473 178.822 176.300 0.081 0.000 1.126 592 R CA 1.287 57.445 56.100 0.096 0.000 0.963 592 R CB -0.711 29.680 30.300 0.152 0.000 0.858 592 R HN 0.485 nan 8.270 nan 0.000 0.435 593 A N 0.455 123.339 122.820 0.106 0.000 1.933 593 A HA -0.176 4.139 4.320 -0.009 0.000 0.218 593 A C 2.131 179.783 177.584 0.113 0.000 1.175 593 A CA 1.885 54.010 52.037 0.146 0.000 0.628 593 A CB -0.663 18.488 19.000 0.251 0.000 0.814 593 A HN 0.601 nan 8.150 nan 0.000 0.444 594 S N -0.732 114.899 115.700 -0.116 0.000 2.423 594 S HA -0.205 4.260 4.470 -0.009 0.000 0.231 594 S C 1.840 176.519 174.600 0.132 0.000 1.014 594 S CA 1.446 59.577 58.200 -0.115 0.000 0.965 594 S CB -0.356 62.675 63.200 -0.282 0.000 0.785 594 S HN 0.696 nan 8.310 nan 0.000 0.495 595 Q N 0.289 120.144 119.800 0.092 0.000 2.297 595 Q HA 0.215 4.550 4.340 -0.009 0.000 0.203 595 Q C -0.174 175.819 176.000 -0.012 0.000 0.931 595 Q CA 0.546 56.387 55.803 0.064 0.000 0.885 595 Q CB 0.271 29.024 28.738 0.026 0.000 0.991 595 Q HN 0.285 nan 8.270 nan 0.000 0.498 596 K N 0.770 121.125 120.400 -0.075 0.000 2.307 596 K HA 0.230 4.544 4.320 -0.009 0.000 0.263 596 K C -2.170 174.111 176.600 -0.531 0.000 0.973 596 K CA -2.202 53.938 56.287 -0.245 0.000 0.846 596 K CB 1.423 33.815 32.500 -0.180 0.000 1.100 596 K HN -0.182 nan 8.250 nan 0.000 0.438 597 P HA -0.108 nan 4.420 nan 0.000 0.222 597 P C 0.137 177.202 177.300 -0.393 0.000 1.153 597 P CA 0.685 63.370 63.100 -0.691 0.000 0.798 597 P CB 0.461 31.913 31.700 -0.414 0.000 0.796 598 Q N 1.707 121.171 119.800 -0.560 0.000 2.313 598 Q HA 0.118 4.453 4.340 -0.009 0.000 0.266 598 Q C -1.862 173.723 176.000 -0.692 0.000 0.989 598 Q CA -1.690 53.515 55.803 -0.996 0.000 0.890 598 Q CB 0.544 28.713 28.738 -0.949 0.000 1.200 598 Q HN 0.072 nan 8.270 nan 0.000 0.396 599 P HA 0.077 nan 4.420 nan 0.000 0.208 599 P C -1.289 175.462 177.300 -0.916 0.000 1.837 599 P CA -0.252 62.386 63.100 -0.772 0.000 0.953 599 P CB -0.392 31.184 31.700 -0.207 0.000 1.870 600 N N 0.823 119.069 118.700 -0.757 0.000 3.324 600 N HA 0.065 4.800 4.740 -0.009 0.000 0.302 600 N C -0.409 174.900 175.510 -0.334 0.000 1.360 600 N CA -0.711 52.062 53.050 -0.462 0.000 1.190 600 N CB -0.716 37.576 38.487 -0.325 0.000 1.462 600 N HN -0.051 nan 8.380 nan 0.000 0.532 601 F N 0.633 120.575 119.950 -0.015 0.000 2.553 601 F HA 0.189 4.711 4.527 -0.009 0.000 0.356 601 F C -0.653 175.220 175.800 0.122 0.000 1.142 601 F CA -1.675 56.377 58.000 0.086 0.000 1.322 601 F CB -0.098 39.034 39.000 0.220 0.000 1.126 601 F HN 0.139 nan 8.300 nan 0.000 0.599 602 P HA -0.085 nan 4.420 nan 0.000 0.215 602 P C -0.299 177.049 177.300 0.081 0.000 1.153 602 P CA 1.544 64.610 63.100 -0.057 0.000 0.853 602 P CB 0.146 31.574 31.700 -0.454 0.000 0.788 603 S N -5.562 110.197 115.700 0.098 0.000 2.615 603 S HA 0.432 4.897 4.470 -0.009 0.000 0.269 603 S C -2.613 171.685 174.600 -0.503 0.000 1.161 603 S CA -1.409 56.686 58.200 -0.175 0.000 0.817 603 S CB 1.312 64.475 63.200 -0.062 0.000 1.131 603 S HN -0.292 nan 8.310 nan 0.000 0.467 604 P HA -0.150 nan 4.420 nan 0.000 0.217 604 P C 1.277 178.307 177.300 -0.451 0.000 1.148 604 P CA 1.546 64.066 63.100 -0.967 0.000 0.828 604 P CB -0.088 31.188 31.700 -0.706 0.000 0.783 605 E N -1.596 118.427 120.200 -0.295 0.000 2.418 605 E HA -0.161 4.183 4.350 -0.009 0.000 0.197 605 E C 0.976 177.354 176.600 -0.370 0.000 1.026 605 E CA 1.028 57.250 56.400 -0.297 0.000 0.862 605 E CB -0.876 28.662 29.700 -0.271 0.000 0.799 605 E HN 0.364 nan 8.360 nan 0.000 0.518 606 Y N 0.682 120.822 120.300 -0.267 0.000 2.482 606 Y HA 0.219 4.764 4.550 -0.009 0.000 0.270 606 Y C 1.546 177.060 175.900 -0.643 0.000 1.152 606 Y CA -0.025 57.944 58.100 -0.217 0.000 1.292 606 Y CB 0.187 38.666 38.460 0.031 0.000 1.070 606 Y HN -0.009 nan 8.280 nan 0.000 0.528 607 M N 1.299 120.385 119.600 -0.857 0.000 2.821 607 M HA 0.136 4.611 4.480 -0.009 0.000 0.305 607 M C -0.277 175.165 176.300 -1.430 0.000 1.466 607 M CA 0.700 54.947 55.300 -1.756 0.000 1.526 607 M CB -0.365 31.456 32.600 -1.298 0.000 1.321 607 M HN 0.296 nan 8.290 nan 0.000 0.492 608 I N 1.878 121.874 120.570 -0.958 0.000 3.746 608 I HA 0.205 4.370 4.170 -0.009 0.000 0.262 608 I C -0.351 175.706 176.117 -0.101 0.000 1.153 608 I CA -0.098 60.890 61.300 -0.519 0.000 1.395 608 I CB 0.462 38.069 38.000 -0.655 0.000 1.589 608 I HN 0.336 nan 8.210 nan 0.000 0.441 609 F N 1.718 121.844 119.950 0.294 0.000 2.421 609 F HA 0.330 4.851 4.527 -0.009 0.000 0.337 609 F C 0.066 176.269 175.800 0.672 0.000 1.105 609 F CA -0.901 57.370 58.000 0.452 0.000 1.049 609 F CB 0.719 39.920 39.000 0.335 0.000 1.139 609 F HN -0.092 nan 8.300 nan 0.000 0.479 610 D N 0.551 121.396 120.400 0.743 0.000 2.210 610 D HA 0.128 4.763 4.640 -0.009 0.000 0.249 610 D C 1.003 177.596 176.300 0.489 0.000 1.078 610 D CA -0.087 54.273 54.000 0.601 0.000 0.875 610 D CB 0.782 41.800 40.800 0.365 0.000 1.175 610 D HN 0.597 nan 8.370 nan 0.000 0.440 611 H N 2.755 122.009 119.070 0.307 0.000 2.290 611 H HA -0.119 4.431 4.556 -0.009 0.000 0.298 611 H C 1.253 176.650 175.328 0.114 0.000 1.087 611 H CA 1.997 58.134 56.048 0.148 0.000 1.291 611 H CB 0.422 30.238 29.762 0.090 0.000 1.369 611 H HN 0.448 nan 8.280 nan 0.000 0.492 612 E N -0.136 120.124 120.200 0.100 0.000 2.077 612 E HA -0.188 4.157 4.350 -0.009 0.000 0.193 612 E C 2.198 178.781 176.600 -0.027 0.000 0.989 612 E CA 0.941 57.316 56.400 -0.042 0.000 0.800 612 E CB -0.680 28.977 29.700 -0.071 0.000 0.746 612 E HN 0.510 nan 8.360 nan 0.000 0.452 613 F N 2.336 122.273 119.950 -0.022 0.000 2.120 613 F HA -0.274 4.247 4.527 -0.009 0.000 0.300 613 F C 2.595 178.402 175.800 0.011 0.000 1.095 613 F CA 2.326 60.339 58.000 0.022 0.000 1.249 613 F CB -0.628 38.437 39.000 0.109 0.000 0.995 613 F HN 0.083 nan 8.300 nan 0.000 0.480 614 T N -1.822 112.661 114.554 -0.119 0.000 2.759 614 T HA -0.246 4.098 4.350 -0.009 0.000 0.269 614 T C 1.968 176.499 174.700 -0.283 0.000 1.042 614 T CA 1.683 63.588 62.100 -0.324 0.000 1.140 614 T CB -0.627 67.885 68.868 -0.593 0.000 0.864 614 T HN 0.376 nan 8.240 nan 0.000 0.455 615 K N 0.834 121.066 120.400 -0.280 0.000 2.057 615 K HA 0.054 4.369 4.320 -0.009 0.000 0.207 615 K C 2.374 178.868 176.600 -0.177 0.000 1.049 615 K CA 1.467 57.632 56.287 -0.203 0.000 0.931 615 K CB -0.524 31.867 32.500 -0.181 0.000 0.714 615 K HN 0.392 nan 8.250 nan 0.000 0.440 616 L N 1.055 122.138 121.223 -0.233 0.000 2.046 616 L HA -0.191 4.143 4.340 -0.009 0.000 0.208 616 L C 2.125 178.839 176.870 -0.261 0.000 1.077 616 L CA 1.191 55.895 54.840 -0.227 0.000 0.747 616 L CB -0.174 41.740 42.059 -0.241 0.000 0.896 616 L HN -0.076 nan 8.230 nan 0.000 0.432 617 V N 0.409 120.085 119.914 -0.397 0.000 2.295 617 V HA -0.323 3.792 4.120 -0.009 0.000 0.246 617 V C 2.628 178.646 176.094 -0.127 0.000 1.049 617 V CA 2.307 64.448 62.300 -0.265 0.000 1.024 617 V CB -0.704 30.999 31.823 -0.199 0.000 0.648 617 V HN 0.515 nan 8.190 nan 0.000 0.447 618 K N 0.257 120.612 120.400 -0.075 0.000 2.032 618 K HA -0.278 4.036 4.320 -0.009 0.000 0.209 618 K C 2.239 178.800 176.600 -0.065 0.000 1.048 618 K CA 2.166 58.428 56.287 -0.043 0.000 0.927 618 K CB -0.219 32.268 32.500 -0.022 0.000 0.712 618 K HN 0.576 nan 8.250 nan 0.000 0.441 619 E N 0.078 120.232 120.200 -0.076 0.000 2.110 619 E HA -0.175 4.169 4.350 -0.009 0.000 0.193 619 E C 1.741 178.286 176.600 -0.092 0.000 0.988 619 E CA 1.179 57.542 56.400 -0.061 0.000 0.804 619 E CB 0.115 29.791 29.700 -0.040 0.000 0.745 619 E HN 0.382 nan 8.360 nan 0.000 0.458 620 L N -0.392 120.760 121.223 -0.117 0.000 2.537 620 L HA 0.114 4.449 4.340 -0.009 0.000 0.224 620 L C 2.386 179.138 176.870 -0.198 0.000 1.065 620 L CA 0.180 54.911 54.840 -0.181 0.000 0.860 620 L CB -0.063 41.927 42.059 -0.115 0.000 1.086 620 L HN 0.130 nan 8.230 nan 0.000 0.482 621 E N 1.024 121.138 120.200 -0.142 0.000 2.085 621 E HA -0.205 4.140 4.350 -0.009 0.000 0.194 621 E C 2.095 178.623 176.600 -0.120 0.000 0.994 621 E CA 1.578 57.901 56.400 -0.129 0.000 0.801 621 E CB -0.075 29.553 29.700 -0.119 0.000 0.743 621 E HN 0.418 nan 8.360 nan 0.000 0.453 622 G N 0.658 109.394 108.800 -0.107 0.000 2.414 622 G HA2 -0.248 3.706 3.960 -0.009 0.000 0.215 622 G HA3 -0.248 3.706 3.960 -0.009 0.000 0.215 622 G C 1.674 176.518 174.900 -0.094 0.000 1.188 622 G CA 1.413 46.468 45.100 -0.075 0.000 0.783 622 G HN 0.356 nan 8.290 nan 0.000 0.537 623 V N -0.923 118.888 119.914 -0.172 0.000 2.548 623 V HA 0.049 4.163 4.120 -0.009 0.000 0.249 623 V C 2.598 178.545 176.094 -0.245 0.000 1.055 623 V CA 1.231 63.403 62.300 -0.213 0.000 1.065 623 V CB -0.452 31.165 31.823 -0.344 0.000 0.681 623 V HN 0.357 nan 8.190 nan 0.000 0.462 624 I N 1.082 121.473 120.570 -0.297 0.000 2.252 624 I HA -0.188 3.977 4.170 -0.009 0.000 0.245 624 I C 2.773 178.849 176.117 -0.068 0.000 1.102 624 I CA 2.043 63.243 61.300 -0.168 0.000 1.385 624 I CB -0.635 37.291 38.000 -0.124 0.000 1.064 624 I HN 0.306 nan 8.210 nan 0.000 0.414 625 T N 0.757 115.265 114.554 -0.077 0.000 2.684 625 T HA -0.218 4.126 4.350 -0.009 0.000 0.267 625 T C 1.878 176.554 174.700 -0.041 0.000 1.036 625 T CA 1.474 63.521 62.100 -0.089 0.000 1.148 625 T CB -0.185 68.666 68.868 -0.028 0.000 0.863 625 T HN 0.299 nan 8.240 nan 0.000 0.436 626 K N 1.184 121.602 120.400 0.030 0.000 2.057 626 K HA 0.047 4.362 4.320 -0.009 0.000 0.207 626 K C 2.634 179.272 176.600 0.063 0.000 1.049 626 K CA 1.175 57.513 56.287 0.084 0.000 0.931 626 K CB -0.295 32.243 32.500 0.065 0.000 0.714 626 K HN 0.283 nan 8.250 nan 0.000 0.440 627 A N 0.947 123.789 122.820 0.037 0.000 1.972 627 A HA -0.151 4.164 4.320 -0.009 0.000 0.219 627 A C 2.020 179.597 177.584 -0.011 0.000 1.169 627 A CA 1.367 53.428 52.037 0.041 0.000 0.635 627 A CB -0.360 18.697 19.000 0.096 0.000 0.810 627 A HN 0.110 nan 8.150 nan 0.000 0.446 628 I N -1.938 118.586 120.570 -0.075 0.000 2.333 628 I HA -0.109 4.056 4.170 -0.009 0.000 0.246 628 I C 2.098 178.156 176.117 -0.099 0.000 1.106 628 I CA 1.012 62.212 61.300 -0.167 0.000 1.411 628 I CB -0.739 37.088 38.000 -0.288 0.000 1.082 628 I HN 0.378 nan 8.210 nan 0.000 0.420 629 Y N 0.671 120.971 120.300 0.002 0.000 2.373 629 Y HA 0.003 4.547 4.550 -0.009 0.000 0.293 629 Y C 1.308 177.205 175.900 -0.005 0.000 1.129 629 Y CA 0.007 58.107 58.100 -0.000 0.000 1.226 629 Y CB -0.670 37.794 38.460 0.006 0.000 1.000 629 Y HN -0.086 nan 8.280 nan 0.000 0.549 630 K N 1.010 121.494 120.400 0.141 0.000 2.543 630 K HA -0.076 4.239 4.320 -0.009 0.000 0.279 630 K C 1.108 177.741 176.600 0.055 0.000 1.001 630 K CA 0.460 56.792 56.287 0.076 0.000 1.088 630 K CB 0.925 33.453 32.500 0.046 0.000 0.863 630 K HN 0.200 nan 8.250 nan 0.000 0.488 631 S N 1.499 117.224 115.700 0.041 0.000 2.324 631 S HA 0.011 4.475 4.470 -0.009 0.000 0.210 631 S C -0.097 174.512 174.600 0.015 0.000 1.027 631 S CA 0.369 58.585 58.200 0.027 0.000 0.945 631 S CB 0.053 63.266 63.200 0.022 0.000 0.908 631 S HN 0.809 nan 8.310 nan 0.000 0.496 632 S N 0.000 115.707 115.700 0.012 0.000 2.498 632 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 632 S CA 0.000 58.204 58.200 0.007 0.000 1.107 632 S CB 0.000 63.202 63.200 0.003 0.000 0.593 632 S HN 0.000 nan 8.310 nan 0.000 0.517