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 3fga_1_A DATA FIRST_RESID 7 DATA SEQUENCE DDSLYPIAVL IDELRNEDVQ LRLNSIKKLS TIALALGVER TRSELLPFLT DATA SEQUENCE DTIYDEDEVL LALAEQLGTF TTLVGGPEYV HCLLPPLESL ATVEETVVRD DATA SEQUENCE KAVESLRAIS HEHSPSDLEA HFVPLVKRLA GGDWFTSRTS ACGLFSVCYP DATA SEQUENCE RVSSAVKAEL RQYFRNLCSD DTPMVRRAAA SKLGEFAKVL ELDNVKSEII DATA SEQUENCE PMFSNLASDE QDSVRLLAVE ACVNIAQLLP QEDLEALVMP TLRQAAEDKS DATA SEQUENCE WRVRYMVADK FTELQKAVGP EITKTDLVPA FQNLMKDCEA EVRAAASHKV DATA SEQUENCE KEFCENLSAD CRENVIMTQI LPCIKELVSD ANQHVKSALA SVIMGLSPIL DATA SEQUENCE GKDNTIEHLL PLFLAQLKDE CPEVRLNIIS NLDCVNEVIG IRQLSQSLLP DATA SEQUENCE AIVELAEDAK WRVRLAIIEY MPLLAGQLGV EFFDEKLNSL CMAWLVDHVY DATA SEQUENCE AIREAATSNL KKLVEKFGKE WAHATIIPKV LAMSGDPNYL HRMTTLFCIN DATA SEQUENCE VLSEVCGQDI TTKHMLPTVL RMAGDPVANV RFNVAKSLQK IGPILDNSTL DATA SEQUENCE QSEVKPILEK LTQDQDVDVK YFAQEALTVL SLA 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.169 176.300 -0.218 0.000 2.045 7 D CA 0.000 53.647 54.000 -0.589 0.000 0.868 7 D CB 0.000 40.197 40.800 -1.006 0.000 0.688 8 D N -0.817 119.560 120.400 -0.037 0.000 2.898 8 D HA 0.731 5.371 4.640 -0.000 0.000 0.266 8 D C 2.143 178.467 176.300 0.041 0.000 1.173 8 D CA 0.879 54.876 54.000 -0.005 0.000 1.078 8 D CB 0.498 41.296 40.800 -0.004 0.000 1.326 8 D HN 0.866 nan 8.370 nan 0.000 0.622 9 S N -0.524 115.191 115.700 0.024 0.000 2.393 9 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 9 S C 1.875 176.493 174.600 0.032 0.000 1.061 9 S CA 2.426 60.638 58.200 0.021 0.000 1.129 9 S CB -1.072 62.131 63.200 0.005 0.000 1.011 9 S HN 0.457 nan 8.310 nan 0.000 0.436 10 L N -0.138 121.103 121.223 0.030 0.000 2.685 10 L HA 0.241 4.581 4.340 -0.000 0.000 0.233 10 L C 1.640 178.516 176.870 0.010 0.000 1.173 10 L CA -0.143 54.697 54.840 0.001 0.000 0.961 10 L CB -0.260 41.780 42.059 -0.032 0.000 1.217 10 L HN 0.533 nan 8.230 nan 0.000 0.478 11 Y N 2.613 122.880 120.300 -0.056 0.000 2.102 11 Y HA -0.259 4.291 4.550 -0.001 0.000 0.280 11 Y C -0.483 175.378 175.900 -0.064 0.000 1.178 11 Y CA 2.126 60.194 58.100 -0.054 0.000 1.146 11 Y CB -0.928 37.509 38.460 -0.039 0.000 0.968 11 Y HN 0.214 nan 8.280 nan 0.000 0.504 12 P HA -0.168 nan 4.420 nan 0.000 0.220 12 P C 1.467 178.627 177.300 -0.232 0.000 1.148 12 P CA 1.805 64.799 63.100 -0.176 0.000 0.803 12 P CB -0.096 31.578 31.700 -0.043 0.000 0.782 13 I N -0.791 119.645 120.570 -0.224 0.000 2.286 13 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 13 I C 2.316 178.202 176.117 -0.384 0.000 1.104 13 I CA 1.119 62.223 61.300 -0.326 0.000 1.397 13 I CB -0.754 37.046 38.000 -0.334 0.000 1.072 13 I HN -0.084 nan 8.210 nan 0.000 0.417 14 A N 0.739 123.371 122.820 -0.314 0.000 1.892 14 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 14 A C 2.422 179.831 177.584 -0.292 0.000 1.188 14 A CA 2.045 53.916 52.037 -0.276 0.000 0.631 14 A CB -1.061 17.810 19.000 -0.216 0.000 0.822 14 A HN 0.244 nan 8.150 nan 0.000 0.447 15 V N 0.025 119.701 119.914 -0.396 0.000 2.287 15 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 15 V C 2.482 178.461 176.094 -0.192 0.000 1.053 15 V CA 1.899 64.009 62.300 -0.316 0.000 1.027 15 V CB -0.800 30.792 31.823 -0.386 0.000 0.646 15 V HN 0.619 nan 8.190 nan 0.000 0.447 16 L N -0.564 120.540 121.223 -0.198 0.000 1.989 16 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 16 L C 2.411 179.234 176.870 -0.078 0.000 1.071 16 L CA 2.148 56.916 54.840 -0.120 0.000 0.749 16 L CB -0.298 41.678 42.059 -0.139 0.000 0.890 16 L HN 0.273 nan 8.230 nan 0.000 0.431 17 I N 0.057 120.524 120.570 -0.172 0.000 2.151 17 I HA -0.397 3.773 4.170 -0.000 0.000 0.243 17 I C 2.450 178.561 176.117 -0.010 0.000 1.080 17 I CA 1.936 63.201 61.300 -0.058 0.000 1.339 17 I CB -0.551 37.366 38.000 -0.138 0.000 1.039 17 I HN 0.473 nan 8.210 nan 0.000 0.409 18 D N 0.888 121.254 120.400 -0.056 0.000 2.116 18 D HA -0.246 4.394 4.640 -0.000 0.000 0.193 18 D C 1.880 178.171 176.300 -0.014 0.000 0.998 18 D CA 1.602 55.581 54.000 -0.035 0.000 0.836 18 D CB -0.045 40.719 40.800 -0.059 0.000 0.951 18 D HN 0.341 nan 8.370 nan 0.000 0.449 19 E N 0.105 120.293 120.200 -0.020 0.000 2.150 19 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 19 E C 2.314 178.925 176.600 0.017 0.000 0.985 19 E CA 0.328 56.725 56.400 -0.004 0.000 0.814 19 E CB -0.038 29.655 29.700 -0.011 0.000 0.752 19 E HN 0.500 nan 8.360 nan 0.000 0.466 20 L N -0.109 121.138 121.223 0.040 0.000 2.558 20 L HA 0.080 4.420 4.340 -0.000 0.000 0.225 20 L C 2.192 179.094 176.870 0.052 0.000 1.128 20 L CA 0.101 54.975 54.840 0.057 0.000 0.868 20 L CB -0.002 42.119 42.059 0.103 0.000 1.006 20 L HN -0.091 nan 8.230 nan 0.000 0.454 21 R N 0.187 120.713 120.500 0.044 0.000 2.240 21 R HA 0.058 4.398 4.340 -0.000 0.000 0.203 21 R C 1.051 177.366 176.300 0.024 0.000 1.011 21 R CA 0.032 56.154 56.100 0.037 0.000 1.007 21 R CB -0.179 30.139 30.300 0.031 0.000 0.911 21 R HN 0.236 nan 8.270 nan 0.000 0.468 22 N N 0.777 119.487 118.700 0.018 0.000 2.344 22 N HA -0.108 4.631 4.740 -0.000 0.000 0.236 22 N C 0.195 175.712 175.510 0.012 0.000 1.279 22 N CA 0.728 53.785 53.050 0.012 0.000 0.882 22 N CB 0.744 39.236 38.487 0.009 0.000 1.110 22 N HN 0.212 nan 8.380 nan 0.000 0.436 23 E N -0.396 119.810 120.200 0.009 0.000 2.389 23 E HA -0.014 4.336 4.350 -0.000 0.000 0.199 23 E C -0.622 175.982 176.600 0.006 0.000 0.978 23 E CA -0.074 56.330 56.400 0.008 0.000 0.912 23 E CB 0.249 29.952 29.700 0.006 0.000 0.907 23 E HN 0.479 nan 8.360 nan 0.000 0.494 24 D N 0.916 121.320 120.400 0.006 0.000 2.348 24 D HA -0.027 4.613 4.640 -0.000 0.000 0.259 24 D C 1.158 177.461 176.300 0.005 0.000 1.296 24 D CA 0.016 54.019 54.000 0.005 0.000 0.931 24 D CB 1.092 41.895 40.800 0.004 0.000 1.067 24 D HN -0.166 nan 8.370 nan 0.000 0.503 25 V N 4.135 124.051 119.914 0.004 0.000 2.313 25 V HA -0.289 3.831 4.120 -0.000 0.000 0.253 25 V C 2.491 178.587 176.094 0.003 0.000 1.070 25 V CA 1.547 63.849 62.300 0.003 0.000 1.057 25 V CB -0.422 31.401 31.823 0.001 0.000 0.653 25 V HN 0.605 nan 8.190 nan 0.000 0.450 26 Q N -1.006 118.796 119.800 0.004 0.000 2.181 26 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 26 Q C 2.125 178.128 176.000 0.005 0.000 0.980 26 Q CA 1.499 57.305 55.803 0.004 0.000 0.862 26 Q CB -0.305 28.436 28.738 0.004 0.000 0.905 26 Q HN 0.500 nan 8.270 nan 0.000 0.429 27 L N 0.060 121.286 121.223 0.005 0.000 2.131 27 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 27 L C 2.350 179.224 176.870 0.007 0.000 1.087 27 L CA 1.399 56.242 54.840 0.006 0.000 0.767 27 L CB -0.498 41.564 42.059 0.005 0.000 0.917 27 L HN 0.092 nan 8.230 nan 0.000 0.441 28 R N -1.174 119.330 120.500 0.008 0.000 2.091 28 R HA -0.173 4.166 4.340 -0.000 0.000 0.238 28 R C 2.066 178.371 176.300 0.008 0.000 1.136 28 R CA 1.037 57.143 56.100 0.010 0.000 0.959 28 R CB -0.592 29.714 30.300 0.010 0.000 0.856 28 R HN 0.191 nan 8.270 nan 0.000 0.437 29 L N 1.666 122.893 121.223 0.005 0.000 2.042 29 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 29 L C 1.799 178.674 176.870 0.009 0.000 1.076 29 L CA 1.686 56.529 54.840 0.005 0.000 0.749 29 L CB -0.908 41.153 42.059 0.004 0.000 0.893 29 L HN 0.207 nan 8.230 nan 0.000 0.432 30 N N -1.058 117.648 118.700 0.010 0.000 2.166 30 N HA -0.123 4.616 4.740 -0.000 0.000 0.186 30 N C 1.841 177.360 175.510 0.015 0.000 1.019 30 N CA 1.377 54.434 53.050 0.012 0.000 0.856 30 N CB -0.276 38.216 38.487 0.010 0.000 0.993 30 N HN 0.296 nan 8.380 nan 0.000 0.426 31 S N 1.753 117.461 115.700 0.013 0.000 2.353 31 S HA -0.048 4.421 4.470 -0.000 0.000 0.222 31 S C 2.027 176.643 174.600 0.027 0.000 1.035 31 S CA 0.729 58.940 58.200 0.017 0.000 1.025 31 S CB -0.171 63.039 63.200 0.017 0.000 0.902 31 S HN 0.216 nan 8.310 nan 0.000 0.440 32 I N 1.862 122.445 120.570 0.022 0.000 2.286 32 I HA -0.122 4.047 4.170 -0.000 0.000 0.248 32 I C 2.122 178.258 176.117 0.031 0.000 1.115 32 I CA 1.321 62.633 61.300 0.021 0.000 1.392 32 I CB -1.018 36.982 38.000 0.000 0.000 1.065 32 I HN 0.320 nan 8.210 nan 0.000 0.418 33 K N 0.686 121.103 120.400 0.028 0.000 2.283 33 K HA -0.161 4.158 4.320 -0.000 0.000 0.202 33 K C 1.321 177.949 176.600 0.048 0.000 1.048 33 K CA 0.813 57.121 56.287 0.035 0.000 0.948 33 K CB -0.007 32.509 32.500 0.025 0.000 0.742 33 K HN 0.008 nan 8.250 nan 0.000 0.458 34 K N 0.881 121.309 120.400 0.046 0.000 2.576 34 K HA 0.091 4.411 4.320 -0.000 0.000 0.209 34 K C 0.853 177.495 176.600 0.070 0.000 1.049 34 K CA -0.066 56.249 56.287 0.047 0.000 1.140 34 K CB 0.226 32.743 32.500 0.029 0.000 0.871 34 K HN -0.095 nan 8.250 nan 0.000 0.479 35 L N 0.168 121.456 121.223 0.109 0.000 2.291 35 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 35 L C 1.493 178.530 176.870 0.279 0.000 1.120 35 L CA 1.606 56.553 54.840 0.178 0.000 0.799 35 L CB -0.380 41.775 42.059 0.161 0.000 0.925 35 L HN 0.280 nan 8.230 nan 0.000 0.446 36 S N -3.635 112.185 115.700 0.200 0.000 2.470 36 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 36 S C 1.742 176.321 174.600 -0.035 0.000 1.006 36 S CA 0.966 59.178 58.200 0.020 0.000 0.934 36 S CB -0.626 62.560 63.200 -0.022 0.000 0.778 36 S HN 0.409 nan 8.310 nan 0.000 0.517 37 T N 3.257 117.819 114.554 0.013 0.000 2.812 37 T HA 0.143 4.492 4.350 -0.000 0.000 0.264 37 T C 1.727 176.428 174.700 0.002 0.000 1.042 37 T CA 0.922 63.022 62.100 -0.001 0.000 1.140 37 T CB -0.280 68.594 68.868 0.010 0.000 0.870 37 T HN 0.277 nan 8.240 nan 0.000 0.445 38 I N 2.120 122.705 120.570 0.025 0.000 2.118 38 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 38 I C 2.955 179.079 176.117 0.012 0.000 1.070 38 I CA 1.596 62.909 61.300 0.021 0.000 1.327 38 I CB -1.653 36.373 38.000 0.044 0.000 1.034 38 I HN 0.196 nan 8.210 nan 0.000 0.405 39 A N 0.840 123.669 122.820 0.015 0.000 1.902 39 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 39 A C 2.438 179.969 177.584 -0.088 0.000 1.181 39 A CA 1.328 53.339 52.037 -0.044 0.000 0.623 39 A CB -0.865 18.010 19.000 -0.207 0.000 0.818 39 A HN 0.406 nan 8.150 nan 0.000 0.443 40 L N -0.854 120.311 121.223 -0.097 0.000 2.093 40 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 40 L C 3.096 179.940 176.870 -0.043 0.000 1.085 40 L CA 0.946 55.740 54.840 -0.078 0.000 0.755 40 L CB -0.464 41.553 42.059 -0.070 0.000 0.904 40 L HN 0.450 nan 8.230 nan 0.000 0.435 41 A N -0.265 122.541 122.820 -0.024 0.000 1.865 41 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 41 A C 1.156 178.737 177.584 -0.005 0.000 1.191 41 A CA 0.929 52.964 52.037 -0.004 0.000 0.623 41 A CB -0.614 18.395 19.000 0.015 0.000 0.826 41 A HN 0.147 nan 8.150 nan 0.000 0.444 42 L N -0.620 120.597 121.223 -0.011 0.000 2.479 42 L HA 0.376 4.716 4.340 -0.000 0.000 0.270 42 L C 1.562 178.415 176.870 -0.029 0.000 1.236 42 L CA 0.560 55.391 54.840 -0.015 0.000 0.823 42 L CB -0.589 41.461 42.059 -0.014 0.000 1.098 42 L HN 0.357 nan 8.230 nan 0.000 0.500 43 G N 0.822 109.604 108.800 -0.030 0.000 2.785 43 G HA2 0.190 4.149 3.960 -0.000 0.000 0.256 43 G HA3 0.190 4.149 3.960 -0.000 0.000 0.256 43 G C 1.053 175.917 174.900 -0.059 0.000 1.248 43 G CA -0.187 44.888 45.100 -0.042 0.000 0.914 43 G HN 0.505 nan 8.290 nan 0.000 0.580 44 V N 0.386 120.259 119.914 -0.070 0.000 2.427 44 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 44 V C 2.816 178.839 176.094 -0.118 0.000 1.051 44 V CA 2.695 64.939 62.300 -0.094 0.000 1.048 44 V CB -0.249 31.520 31.823 -0.090 0.000 0.666 44 V HN 0.947 nan 8.190 nan 0.000 0.456 45 E N 0.007 120.142 120.200 -0.109 0.000 2.230 45 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 45 E C 2.135 178.682 176.600 -0.088 0.000 0.987 45 E CA 1.033 57.356 56.400 -0.128 0.000 0.841 45 E CB -0.427 29.204 29.700 -0.115 0.000 0.783 45 E HN 0.439 nan 8.360 nan 0.000 0.481 46 R N 0.190 120.655 120.500 -0.058 0.000 2.115 46 R HA 0.008 4.347 4.340 -0.000 0.000 0.230 46 R C 2.052 178.336 176.300 -0.026 0.000 1.111 46 R CA 1.698 57.776 56.100 -0.037 0.000 0.976 46 R CB -0.392 29.892 30.300 -0.027 0.000 0.870 46 R HN 0.247 nan 8.270 nan 0.000 0.445 47 T N 0.559 115.096 114.554 -0.027 0.000 2.622 47 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 47 T C 1.782 176.486 174.700 0.007 0.000 1.047 47 T CA 1.223 63.331 62.100 0.013 0.000 1.159 47 T CB -0.159 68.712 68.868 0.005 0.000 0.863 47 T HN 0.266 nan 8.240 nan 0.000 0.422 48 R N 1.069 121.535 120.500 -0.057 0.000 2.103 48 R HA -0.108 4.232 4.340 -0.000 0.000 0.234 48 R C 2.763 179.026 176.300 -0.061 0.000 1.132 48 R CA 1.994 58.038 56.100 -0.093 0.000 0.925 48 R CB -0.525 29.650 30.300 -0.208 0.000 0.842 48 R HN 0.499 nan 8.270 nan 0.000 0.430 49 S N -0.941 114.723 115.700 -0.059 0.000 2.575 49 S HA 0.083 4.553 4.470 -0.000 0.000 0.215 49 S C 1.064 175.659 174.600 -0.009 0.000 0.966 49 S CA 0.330 58.508 58.200 -0.036 0.000 0.911 49 S CB 0.663 63.840 63.200 -0.040 0.000 0.780 49 S HN 0.229 nan 8.310 nan 0.000 0.514 50 E N 0.066 120.266 120.200 0.000 0.000 3.155 50 E HA 0.344 4.694 4.350 -0.000 0.000 0.208 50 E C 1.326 177.961 176.600 0.058 0.000 1.060 50 E CA 0.076 56.487 56.400 0.020 0.000 1.522 50 E CB -0.403 29.295 29.700 -0.003 0.000 1.433 50 E HN 0.241 nan 8.360 nan 0.000 0.709 51 L N 0.933 122.189 121.223 0.056 0.000 2.027 51 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 51 L C 1.768 178.721 176.870 0.139 0.000 1.074 51 L CA 1.493 56.400 54.840 0.111 0.000 0.745 51 L CB -0.391 41.733 42.059 0.108 0.000 0.898 51 L HN 0.204 nan 8.230 nan 0.000 0.433 52 L N 0.025 121.291 121.223 0.072 0.000 1.970 52 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 52 L C 0.189 177.058 176.870 -0.002 0.000 1.071 52 L CA 2.324 57.174 54.840 0.017 0.000 0.751 52 L CB -2.465 39.591 42.059 -0.005 0.000 0.889 52 L HN 0.243 nan 8.230 nan 0.000 0.432 53 P HA -0.237 nan 4.420 nan 0.000 0.216 53 P C 1.693 179.000 177.300 0.012 0.000 1.150 53 P CA 1.338 64.440 63.100 0.004 0.000 0.843 53 P CB -0.197 31.518 31.700 0.025 0.000 0.787 54 F N 0.500 120.411 119.950 -0.064 0.000 2.095 54 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 54 F C 1.789 177.524 175.800 -0.108 0.000 1.104 54 F CA 1.574 59.529 58.000 -0.075 0.000 1.232 54 F CB -1.058 37.906 39.000 -0.060 0.000 0.987 54 F HN -0.256 nan 8.300 nan 0.000 0.475 55 L N -0.350 120.728 121.223 -0.241 0.000 2.456 55 L HA -0.138 4.202 4.340 -0.000 0.000 0.224 55 L C 1.985 178.652 176.870 -0.339 0.000 1.148 55 L CA 1.155 55.776 54.840 -0.364 0.000 0.825 55 L CB -0.909 41.044 42.059 -0.176 0.000 0.937 55 L HN 0.233 nan 8.230 nan 0.000 0.450 56 T N -1.507 112.890 114.554 -0.262 0.000 2.815 56 T HA -0.048 4.301 4.350 -0.000 0.000 0.244 56 T C 1.344 175.885 174.700 -0.264 0.000 1.040 56 T CA 0.837 62.809 62.100 -0.214 0.000 1.176 56 T CB -0.023 68.768 68.868 -0.129 0.000 0.880 56 T HN 0.259 nan 8.240 nan 0.000 0.414 57 D N 1.923 122.180 120.400 -0.237 0.000 2.084 57 D HA -0.034 4.606 4.640 -0.000 0.000 0.199 57 D C 0.969 177.003 176.300 -0.444 0.000 0.981 57 D CA 1.162 55.023 54.000 -0.231 0.000 0.841 57 D CB -0.576 40.162 40.800 -0.104 0.000 0.997 57 D HN 0.303 nan 8.370 nan 0.000 0.454 58 T N 1.697 115.969 114.554 -0.471 0.000 4.309 58 T HA 0.280 4.630 4.350 -0.000 0.000 0.242 58 T C 0.395 174.569 174.700 -0.877 0.000 1.142 58 T CA 0.005 61.769 62.100 -0.559 0.000 1.042 58 T CB -0.088 68.607 68.868 -0.288 0.000 1.366 58 T HN 0.030 nan 8.240 nan 0.000 0.942 59 I N 2.542 122.535 120.570 -0.962 0.000 2.622 59 I HA 0.300 4.470 4.170 -0.000 0.000 0.283 59 I C -1.951 173.704 176.117 -0.770 0.000 1.202 59 I CA -0.904 59.959 61.300 -0.728 0.000 1.075 59 I CB 1.417 39.075 38.000 -0.570 0.000 1.274 59 I HN 0.301 nan 8.210 nan 0.000 0.450 60 Y N 5.745 125.970 120.300 -0.126 0.000 2.350 60 Y HA 0.711 5.261 4.550 0.000 0.000 0.338 60 Y C 0.106 175.962 175.900 -0.073 0.000 0.961 60 Y CA -0.643 57.403 58.100 -0.091 0.000 1.100 60 Y CB 1.605 40.022 38.460 -0.072 0.000 1.179 60 Y HN 0.419 nan 8.280 nan 0.000 0.454 61 D N 0.442 120.874 120.400 0.053 0.000 2.738 61 D HA 0.121 4.761 4.640 -0.000 0.000 0.308 61 D C -1.111 175.187 176.300 -0.003 0.000 1.311 61 D CA -0.623 53.387 54.000 0.015 0.000 0.799 61 D CB 1.965 42.756 40.800 -0.016 0.000 1.332 61 D HN 0.574 nan 8.370 nan 0.000 0.441 62 E N 0.510 120.705 120.200 -0.008 0.000 2.418 62 E HA 0.006 4.356 4.350 -0.000 0.000 0.261 62 E C 0.320 176.906 176.600 -0.024 0.000 1.070 62 E CA -0.098 56.293 56.400 -0.015 0.000 0.931 62 E CB 0.695 30.389 29.700 -0.011 0.000 0.954 62 E HN 0.300 nan 8.360 nan 0.000 0.439 63 D N 1.780 122.164 120.400 -0.026 0.000 2.182 63 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 63 D C 1.589 177.873 176.300 -0.027 0.000 0.986 63 D CA 1.274 55.255 54.000 -0.031 0.000 0.847 63 D CB 0.053 40.834 40.800 -0.031 0.000 0.942 63 D HN 0.562 nan 8.370 nan 0.000 0.467 64 E N 0.215 120.403 120.200 -0.020 0.000 2.110 64 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 64 E C 2.066 178.654 176.600 -0.020 0.000 0.988 64 E CA 0.583 56.973 56.400 -0.016 0.000 0.804 64 E CB 0.268 29.962 29.700 -0.010 0.000 0.745 64 E HN 0.018 nan 8.360 nan 0.000 0.458 65 V N 1.013 120.913 119.914 -0.023 0.000 2.379 65 V HA -0.225 3.894 4.120 -0.000 0.000 0.245 65 V C 2.343 178.411 176.094 -0.043 0.000 1.044 65 V CA 1.262 63.545 62.300 -0.028 0.000 1.036 65 V CB -0.399 31.408 31.823 -0.027 0.000 0.664 65 V HN 0.344 nan 8.190 nan 0.000 0.453 66 L N -0.312 120.881 121.223 -0.050 0.000 2.127 66 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 66 L C 2.463 179.299 176.870 -0.057 0.000 1.089 66 L CA 1.238 56.039 54.840 -0.065 0.000 0.757 66 L CB -0.508 41.512 42.059 -0.065 0.000 0.899 66 L HN 0.354 nan 8.230 nan 0.000 0.434 67 L N 0.018 121.216 121.223 -0.041 0.000 2.093 67 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 67 L C 2.640 179.493 176.870 -0.028 0.000 1.085 67 L CA 1.824 56.646 54.840 -0.031 0.000 0.755 67 L CB -0.491 41.555 42.059 -0.021 0.000 0.904 67 L HN 0.242 nan 8.230 nan 0.000 0.435 68 A N -0.061 122.742 122.820 -0.028 0.000 1.897 68 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 68 A C 2.139 179.700 177.584 -0.039 0.000 1.181 68 A CA 1.442 53.466 52.037 -0.022 0.000 0.620 68 A CB -0.710 18.281 19.000 -0.015 0.000 0.821 68 A HN 0.449 nan 8.150 nan 0.000 0.443 69 L N -0.019 121.168 121.223 -0.061 0.000 2.046 69 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 69 L C 2.669 179.475 176.870 -0.107 0.000 1.077 69 L CA 2.161 56.942 54.840 -0.098 0.000 0.747 69 L CB -0.826 41.164 42.059 -0.116 0.000 0.896 69 L HN 0.360 nan 8.230 nan 0.000 0.432 70 A N -0.697 122.075 122.820 -0.080 0.000 1.873 70 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 70 A C 2.343 179.901 177.584 -0.043 0.000 1.193 70 A CA 2.162 54.161 52.037 -0.064 0.000 0.629 70 A CB -0.899 18.074 19.000 -0.046 0.000 0.826 70 A HN 0.637 nan 8.150 nan 0.000 0.447 71 E N -1.028 119.156 120.200 -0.026 0.000 2.051 71 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 71 E C 2.263 178.867 176.600 0.006 0.000 0.991 71 E CA 1.295 57.694 56.400 -0.000 0.000 0.799 71 E CB -0.134 29.571 29.700 0.009 0.000 0.748 71 E HN 0.584 nan 8.360 nan 0.000 0.449 72 Q N 0.317 120.106 119.800 -0.018 0.000 2.030 72 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 72 Q C 2.487 178.459 176.000 -0.046 0.000 0.986 72 Q CA 1.209 57.011 55.803 -0.001 0.000 0.843 72 Q CB -0.408 28.297 28.738 -0.055 0.000 0.904 72 Q HN 0.412 nan 8.270 nan 0.000 0.420 73 L N -0.089 121.020 121.223 -0.192 0.000 2.349 73 L HA -0.109 4.230 4.340 -0.000 0.000 0.220 73 L C 2.076 178.939 176.870 -0.011 0.000 1.130 73 L CA 0.883 55.582 54.840 -0.235 0.000 0.791 73 L CB -0.586 41.338 42.059 -0.226 0.000 0.918 73 L HN 0.244 nan 8.230 nan 0.000 0.444 74 G N -1.172 107.649 108.800 0.034 0.000 2.848 74 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.208 74 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.208 74 G C 1.229 176.203 174.900 0.123 0.000 1.152 74 G CA 1.018 46.166 45.100 0.080 0.000 0.789 74 G HN 0.449 nan 8.290 nan 0.000 0.531 75 T N -4.361 110.300 114.554 0.179 0.000 3.209 75 T HA 0.317 4.667 4.350 -0.000 0.000 0.295 75 T C 1.044 175.892 174.700 0.247 0.000 0.977 75 T CA -0.501 61.709 62.100 0.184 0.000 0.922 75 T CB -0.465 68.498 68.868 0.157 0.000 1.152 75 T HN 0.063 nan 8.240 nan 0.000 0.527 76 F N 1.682 121.643 119.950 0.018 0.000 2.765 76 F HA 0.197 4.725 4.527 0.002 0.000 0.302 76 F C 2.231 178.035 175.800 0.006 0.000 1.111 76 F CA -0.184 57.820 58.000 0.008 0.000 1.359 76 F CB 0.275 39.275 39.000 0.001 0.000 1.097 76 F HN 0.169 nan 8.300 nan 0.000 0.577 77 T N -0.527 114.109 114.554 0.136 0.000 2.635 77 T HA -0.234 4.115 4.350 -0.000 0.000 0.267 77 T C 2.000 176.718 174.700 0.029 0.000 1.040 77 T CA 2.272 64.418 62.100 0.078 0.000 1.156 77 T CB -0.465 68.442 68.868 0.065 0.000 0.863 77 T HN 0.223 nan 8.240 nan 0.000 0.430 78 T N 2.151 116.700 114.554 -0.008 0.000 2.788 78 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 78 T C 1.958 176.609 174.700 -0.082 0.000 1.044 78 T CA 0.808 62.887 62.100 -0.035 0.000 1.139 78 T CB -0.419 68.422 68.868 -0.045 0.000 0.867 78 T HN 0.246 nan 8.240 nan 0.000 0.454 79 L N 0.415 121.532 121.223 -0.177 0.000 2.275 79 L HA 0.041 4.381 4.340 -0.000 0.000 0.215 79 L C 2.327 179.098 176.870 -0.165 0.000 1.119 79 L CA 0.584 55.253 54.840 -0.286 0.000 0.790 79 L CB -0.211 41.414 42.059 -0.724 0.000 0.919 79 L HN 0.123 nan 8.230 nan 0.000 0.443 80 V N -0.976 118.897 119.914 -0.068 0.000 3.650 80 V HA 0.283 4.403 4.120 -0.000 0.000 0.271 80 V C 1.301 177.355 176.094 -0.067 0.000 1.281 80 V CA 1.004 63.284 62.300 -0.034 0.000 1.120 80 V CB 0.519 32.372 31.823 0.051 0.000 0.856 80 V HN 0.628 nan 8.190 nan 0.000 0.443 81 G N -1.172 107.627 108.800 -0.002 0.000 2.164 81 G HA2 0.213 4.173 3.960 -0.000 0.000 0.154 81 G HA3 0.213 4.173 3.960 -0.000 0.000 0.154 81 G C 0.824 175.838 174.900 0.190 0.000 1.014 81 G CA 0.033 45.186 45.100 0.088 0.000 0.683 81 G HN 1.701 nan 8.290 nan 0.000 0.500 82 G N -0.540 108.326 108.800 0.110 0.000 2.760 82 G HA2 0.139 4.099 3.960 -0.000 0.000 0.246 82 G HA3 0.139 4.099 3.960 -0.000 0.000 0.246 82 G C -0.899 174.038 174.900 0.062 0.000 1.359 82 G CA 0.190 45.335 45.100 0.074 0.000 0.861 82 G HN 0.545 nan 8.290 nan 0.000 0.541 83 P HA -0.094 nan 4.420 nan 0.000 0.218 83 P C 1.449 178.707 177.300 -0.069 0.000 1.150 83 P CA 1.809 64.890 63.100 -0.031 0.000 0.841 83 P CB 0.021 31.709 31.700 -0.020 0.000 0.784 84 E N -2.320 117.809 120.200 -0.118 0.000 2.331 84 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 84 E C 0.395 176.734 176.600 -0.435 0.000 1.008 84 E CA 0.921 57.121 56.400 -0.333 0.000 0.843 84 E CB -0.050 29.326 29.700 -0.540 0.000 0.761 84 E HN 0.355 nan 8.360 nan 0.000 0.507 85 Y N -2.481 117.821 120.300 0.003 0.000 2.666 85 Y HA 0.055 4.605 4.550 -0.001 0.000 0.260 85 Y C 1.505 177.267 175.900 -0.230 0.000 1.089 85 Y CA -0.140 57.896 58.100 -0.107 0.000 1.246 85 Y CB 0.527 38.925 38.460 -0.104 0.000 1.353 85 Y HN -0.073 nan 8.280 nan 0.000 0.558 86 V N -0.382 119.504 119.914 -0.047 0.000 2.527 86 V HA -0.380 3.740 4.120 -0.000 0.000 0.255 86 V C 2.447 178.465 176.094 -0.127 0.000 1.081 86 V CA 2.538 64.757 62.300 -0.135 0.000 1.092 86 V CB -1.092 30.527 31.823 -0.340 0.000 0.673 86 V HN 0.607 nan 8.190 nan 0.000 0.470 87 H N -0.535 118.457 119.070 -0.131 0.000 2.489 87 H HA -0.119 4.437 4.556 -0.000 0.000 0.293 87 H C 2.228 177.519 175.328 -0.061 0.000 1.066 87 H CA 1.574 57.598 56.048 -0.040 0.000 1.305 87 H CB -1.169 28.449 29.762 -0.240 0.000 1.386 87 H HN 0.508 nan 8.280 nan 0.000 0.551 88 C N 1.427 120.454 119.300 -0.454 0.000 2.403 88 C HA -0.114 4.346 4.460 -0.000 0.000 0.279 88 C C 3.068 178.000 174.990 -0.095 0.000 1.269 88 C CA 0.779 59.648 59.018 -0.248 0.000 1.774 88 C CB -1.136 26.481 27.740 -0.205 0.000 1.993 88 C HN 0.519 nan 8.230 nan 0.000 0.496 89 L N -0.027 121.172 121.223 -0.040 0.000 2.376 89 L HA -0.057 4.282 4.340 -0.000 0.000 0.219 89 L C 2.333 179.200 176.870 -0.006 0.000 1.133 89 L CA 0.749 55.584 54.840 -0.009 0.000 0.816 89 L CB -0.540 41.544 42.059 0.041 0.000 0.933 89 L HN 0.417 nan 8.230 nan 0.000 0.449 90 L N -0.154 121.084 121.223 0.024 0.000 2.056 90 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 90 L C -0.076 176.769 176.870 -0.042 0.000 1.078 90 L CA 1.213 56.058 54.840 0.008 0.000 0.749 90 L CB -1.839 40.249 42.059 0.048 0.000 0.901 90 L HN 0.202 nan 8.230 nan 0.000 0.433 91 P HA -0.135 nan 4.420 nan 0.000 0.213 91 P C -1.318 175.936 177.300 -0.076 0.000 1.170 91 P CA 1.625 64.694 63.100 -0.052 0.000 0.902 91 P CB -1.187 30.487 31.700 -0.044 0.000 0.789 92 P HA -0.168 nan 4.420 nan 0.000 0.215 92 P C 1.611 178.847 177.300 -0.106 0.000 1.163 92 P CA 1.436 64.466 63.100 -0.116 0.000 0.894 92 P CB -0.623 30.995 31.700 -0.136 0.000 0.791 93 L N -0.848 120.321 121.223 -0.090 0.000 2.201 93 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 93 L C 2.598 179.412 176.870 -0.092 0.000 1.105 93 L CA 1.295 56.086 54.840 -0.083 0.000 0.775 93 L CB -0.768 41.255 42.059 -0.060 0.000 0.913 93 L HN 0.050 nan 8.230 nan 0.000 0.440 94 E N -0.351 119.791 120.200 -0.098 0.000 2.072 94 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 94 E C 2.312 178.862 176.600 -0.083 0.000 0.985 94 E CA 1.248 57.587 56.400 -0.102 0.000 0.801 94 E CB 0.128 29.770 29.700 -0.098 0.000 0.750 94 E HN 0.285 nan 8.360 nan 0.000 0.452 95 S N 0.296 115.948 115.700 -0.080 0.000 2.353 95 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 95 S C 1.889 176.441 174.600 -0.080 0.000 1.035 95 S CA 1.010 59.166 58.200 -0.074 0.000 1.025 95 S CB -0.195 62.952 63.200 -0.088 0.000 0.902 95 S HN 0.267 nan 8.310 nan 0.000 0.440 96 L N 0.881 122.052 121.223 -0.088 0.000 2.265 96 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 96 L C 2.486 179.310 176.870 -0.077 0.000 1.117 96 L CA 0.967 55.757 54.840 -0.084 0.000 0.782 96 L CB -0.490 41.519 42.059 -0.084 0.000 0.914 96 L HN 0.305 nan 8.230 nan 0.000 0.441 97 A N -1.143 121.631 122.820 -0.076 0.000 2.119 97 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 97 A C 2.263 179.800 177.584 -0.078 0.000 1.152 97 A CA 1.565 53.558 52.037 -0.072 0.000 0.708 97 A CB -0.424 18.530 19.000 -0.078 0.000 0.805 97 A HN 0.309 nan 8.150 nan 0.000 0.460 98 T N -0.554 113.952 114.554 -0.079 0.000 3.051 98 T HA 0.138 4.488 4.350 -0.000 0.000 0.255 98 T C 0.642 175.267 174.700 -0.126 0.000 1.085 98 T CA 0.075 62.127 62.100 -0.081 0.000 1.109 98 T CB -0.190 68.654 68.868 -0.040 0.000 0.921 98 T HN 0.068 nan 8.240 nan 0.000 0.488 99 V N 3.160 123.003 119.914 -0.118 0.000 2.752 99 V HA -0.082 4.037 4.120 -0.000 0.000 0.306 99 V C 1.472 177.465 176.094 -0.168 0.000 1.099 99 V CA 0.560 62.780 62.300 -0.133 0.000 1.240 99 V CB 0.453 32.216 31.823 -0.100 0.000 0.887 99 V HN 0.533 nan 8.190 nan 0.000 0.499 100 E N 2.466 122.548 120.200 -0.196 0.000 2.058 100 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 100 E C 0.964 177.484 176.600 -0.133 0.000 0.997 100 E CA 1.012 57.284 56.400 -0.213 0.000 0.801 100 E CB 0.019 29.597 29.700 -0.204 0.000 0.746 100 E HN 0.745 nan 8.360 nan 0.000 0.450 101 E N 1.219 121.363 120.200 -0.092 0.000 2.415 101 E HA -0.042 4.308 4.350 -0.000 0.000 0.260 101 E C 0.298 176.872 176.600 -0.043 0.000 1.016 101 E CA 0.316 56.684 56.400 -0.053 0.000 0.924 101 E CB 0.658 30.332 29.700 -0.043 0.000 0.961 101 E HN -0.043 nan 8.360 nan 0.000 0.459 102 T N 3.406 117.949 114.554 -0.018 0.000 2.685 102 T HA -0.191 4.158 4.350 -0.000 0.000 0.268 102 T C 1.598 176.295 174.700 -0.006 0.000 1.034 102 T CA 1.421 63.519 62.100 -0.003 0.000 1.149 102 T CB -0.124 68.758 68.868 0.024 0.000 0.860 102 T HN 0.374 nan 8.240 nan 0.000 0.449 103 V N 0.683 120.593 119.914 -0.007 0.000 2.719 103 V HA -0.054 4.066 4.120 -0.000 0.000 0.252 103 V C 2.322 178.409 176.094 -0.011 0.000 1.065 103 V CA 0.969 63.267 62.300 -0.003 0.000 1.086 103 V CB -0.132 31.691 31.823 -0.001 0.000 0.700 103 V HN 0.342 nan 8.190 nan 0.000 0.467 104 V N 1.573 121.472 119.914 -0.024 0.000 2.346 104 V HA -0.161 3.959 4.120 -0.000 0.000 0.244 104 V C 2.585 178.658 176.094 -0.036 0.000 1.037 104 V CA 2.143 64.423 62.300 -0.033 0.000 1.029 104 V CB -0.794 31.001 31.823 -0.046 0.000 0.663 104 V HN 0.664 nan 8.190 nan 0.000 0.454 105 R N 0.324 120.799 120.500 -0.042 0.000 2.148 105 R HA -0.129 4.211 4.340 -0.000 0.000 0.227 105 R C 1.629 177.916 176.300 -0.022 0.000 1.103 105 R CA 1.768 57.842 56.100 -0.044 0.000 0.983 105 R CB -0.674 29.588 30.300 -0.063 0.000 0.874 105 R HN 0.352 nan 8.270 nan 0.000 0.451 106 D N 1.084 121.479 120.400 -0.009 0.000 2.117 106 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 106 D C 1.709 178.016 176.300 0.011 0.000 0.987 106 D CA 1.016 55.021 54.000 0.008 0.000 0.829 106 D CB -0.042 40.768 40.800 0.016 0.000 0.961 106 D HN 0.058 nan 8.370 nan 0.000 0.460 107 K N 0.615 121.018 120.400 0.004 0.000 2.063 107 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 107 K C 1.989 178.591 176.600 0.004 0.000 1.048 107 K CA 0.977 57.268 56.287 0.006 0.000 0.928 107 K CB -0.457 32.041 32.500 -0.003 0.000 0.713 107 K HN 0.076 nan 8.250 nan 0.000 0.442 108 A N 0.842 123.655 122.820 -0.012 0.000 1.892 108 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 108 A C 2.492 180.074 177.584 -0.004 0.000 1.188 108 A CA 1.989 54.014 52.037 -0.021 0.000 0.631 108 A CB -0.779 18.196 19.000 -0.042 0.000 0.822 108 A HN 0.098 nan 8.150 nan 0.000 0.447 109 V N -0.080 119.837 119.914 0.004 0.000 2.295 109 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 109 V C 2.548 178.673 176.094 0.052 0.000 1.049 109 V CA 2.323 64.637 62.300 0.024 0.000 1.024 109 V CB -0.731 31.111 31.823 0.032 0.000 0.648 109 V HN 0.750 nan 8.190 nan 0.000 0.447 110 E N -0.067 120.163 120.200 0.049 0.000 2.097 110 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 110 E C 2.372 179.014 176.600 0.071 0.000 1.000 110 E CA 1.784 58.221 56.400 0.062 0.000 0.804 110 E CB -0.107 29.624 29.700 0.051 0.000 0.740 110 E HN 0.563 nan 8.360 nan 0.000 0.454 111 S N 0.248 115.983 115.700 0.058 0.000 2.383 111 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 111 S C 1.920 176.577 174.600 0.096 0.000 1.026 111 S CA 0.563 58.803 58.200 0.067 0.000 0.981 111 S CB -0.069 63.154 63.200 0.037 0.000 0.818 111 S HN 0.235 nan 8.310 nan 0.000 0.472 112 L N 0.779 122.058 121.223 0.092 0.000 2.027 112 L HA -0.080 4.259 4.340 -0.000 0.000 0.206 112 L C 2.680 179.684 176.870 0.224 0.000 1.074 112 L CA 1.219 56.151 54.840 0.153 0.000 0.745 112 L CB -0.374 41.721 42.059 0.060 0.000 0.898 112 L HN 0.200 nan 8.230 nan 0.000 0.433 113 R N -0.181 120.410 120.500 0.153 0.000 2.094 113 R HA -0.218 4.121 4.340 -0.000 0.000 0.239 113 R C 2.400 178.714 176.300 0.022 0.000 1.137 113 R CA 1.580 57.727 56.100 0.080 0.000 0.943 113 R CB -0.724 29.636 30.300 0.099 0.000 0.850 113 R HN 0.391 nan 8.270 nan 0.000 0.433 114 A N 1.879 124.767 122.820 0.113 0.000 1.869 114 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 114 A C 2.244 179.922 177.584 0.157 0.000 1.203 114 A CA 2.124 54.262 52.037 0.169 0.000 0.638 114 A CB -0.898 18.186 19.000 0.141 0.000 0.831 114 A HN 0.530 nan 8.150 nan 0.000 0.450 115 I N -1.138 119.522 120.570 0.151 0.000 3.001 115 I HA -0.099 4.070 4.170 -0.000 0.000 0.268 115 I C 2.179 178.438 176.117 0.238 0.000 1.267 115 I CA 1.518 62.936 61.300 0.197 0.000 1.472 115 I CB -0.523 37.620 38.000 0.238 0.000 1.089 115 I HN 0.342 nan 8.210 nan 0.000 0.468 116 S N 1.215 116.909 115.700 -0.011 0.000 2.370 116 S HA -0.261 4.208 4.470 -0.000 0.000 0.226 116 S C 1.975 176.440 174.600 -0.226 0.000 1.033 116 S CA 1.364 59.323 58.200 -0.402 0.000 1.011 116 S CB -1.109 61.486 63.200 -1.008 0.000 0.852 116 S HN 0.588 nan 8.310 nan 0.000 0.457 117 H N 1.981 121.047 119.070 -0.007 0.000 2.489 117 H HA 0.033 4.589 4.556 -0.000 0.000 0.295 117 H C 1.717 177.070 175.328 0.043 0.000 1.082 117 H CA 1.519 57.570 56.048 0.006 0.000 1.295 117 H CB -0.245 29.524 29.762 0.011 0.000 1.380 117 H HN 0.605 nan 8.280 nan 0.000 0.548 118 E N 0.624 120.927 120.200 0.171 0.000 2.481 118 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 118 E C 0.271 176.897 176.600 0.043 0.000 1.047 118 E CA 0.081 56.537 56.400 0.092 0.000 0.867 118 E CB 0.053 29.787 29.700 0.057 0.000 0.858 118 E HN 0.604 nan 8.360 nan 0.000 0.513 119 H N 1.628 120.695 119.070 -0.005 0.000 2.690 119 H HA 0.119 4.675 4.556 -0.000 0.000 0.314 119 H C 0.702 176.021 175.328 -0.015 0.000 1.069 119 H CA -0.245 55.804 56.048 0.001 0.000 1.436 119 H CB 0.952 30.692 29.762 -0.037 0.000 1.462 119 H HN 0.009 nan 8.280 nan 0.000 0.511 120 S N 3.732 119.481 115.700 0.083 0.000 2.563 120 S HA -0.014 4.456 4.470 -0.000 0.000 0.284 120 S C -1.685 172.942 174.600 0.045 0.000 1.331 120 S CA -1.164 57.061 58.200 0.043 0.000 1.047 120 S CB 1.168 64.377 63.200 0.014 0.000 0.859 120 S HN 0.396 nan 8.310 nan 0.000 0.514 121 P HA -0.111 nan 4.420 nan 0.000 0.217 121 P C 1.474 178.768 177.300 -0.010 0.000 1.148 121 P CA 1.505 64.600 63.100 -0.010 0.000 0.834 121 P CB -0.112 31.575 31.700 -0.021 0.000 0.783 122 S N -0.750 114.945 115.700 -0.008 0.000 2.356 122 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 122 S C 1.569 176.159 174.600 -0.016 0.000 1.032 122 S CA 1.567 59.752 58.200 -0.025 0.000 1.005 122 S CB -1.062 62.119 63.200 -0.033 0.000 0.867 122 S HN 0.233 nan 8.310 nan 0.000 0.449 123 D N 1.130 121.559 120.400 0.048 0.000 2.117 123 D HA -0.022 4.617 4.640 -0.000 0.000 0.198 123 D C 1.856 178.289 176.300 0.222 0.000 0.982 123 D CA 0.481 54.581 54.000 0.165 0.000 0.828 123 D CB -0.419 40.529 40.800 0.247 0.000 0.967 123 D HN 0.124 nan 8.370 nan 0.000 0.464 124 L N 1.253 122.559 121.223 0.139 0.000 2.081 124 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 124 L C 2.018 178.909 176.870 0.036 0.000 1.080 124 L CA 1.689 56.548 54.840 0.031 0.000 0.754 124 L CB -0.499 41.512 42.059 -0.080 0.000 0.893 124 L HN 0.052 nan 8.230 nan 0.000 0.433 125 E N -1.739 118.457 120.200 -0.007 0.000 2.112 125 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 125 E C 2.031 178.580 176.600 -0.085 0.000 0.979 125 E CA 0.838 57.214 56.400 -0.041 0.000 0.814 125 E CB -0.102 29.568 29.700 -0.050 0.000 0.762 125 E HN 0.504 nan 8.360 nan 0.000 0.460 126 A N 0.034 122.756 122.820 -0.163 0.000 2.147 126 A HA -0.003 4.317 4.320 -0.000 0.000 0.211 126 A C 1.297 178.568 177.584 -0.521 0.000 1.160 126 A CA 0.687 52.495 52.037 -0.382 0.000 0.781 126 A CB 0.031 18.696 19.000 -0.558 0.000 0.842 126 A HN 0.175 nan 8.150 nan 0.000 0.475 127 H N -3.627 115.460 119.070 0.029 0.000 1.920 127 H HA 0.182 4.738 4.556 -0.000 0.000 0.186 127 H C 1.553 176.910 175.328 0.047 0.000 0.924 127 H CA 0.474 56.559 56.048 0.062 0.000 1.039 127 H CB -0.629 29.219 29.762 0.143 0.000 1.126 127 H HN 0.381 nan 8.280 nan 0.000 0.379 128 F N 2.232 122.202 119.950 0.034 0.000 2.075 128 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 128 F C 2.373 178.079 175.800 -0.156 0.000 1.113 128 F CA 1.423 59.339 58.000 -0.141 0.000 1.218 128 F CB -0.259 38.528 39.000 -0.355 0.000 0.984 128 F HN -0.161 nan 8.300 nan 0.000 0.472 129 V N 0.980 120.958 119.914 0.107 0.000 2.287 129 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 129 V C -0.460 175.538 176.094 -0.160 0.000 1.053 129 V CA 2.290 64.566 62.300 -0.039 0.000 1.027 129 V CB -1.967 29.838 31.823 -0.031 0.000 0.646 129 V HN 0.229 nan 8.190 nan 0.000 0.447 130 P HA -0.182 nan 4.420 nan 0.000 0.216 130 P C 2.003 179.195 177.300 -0.179 0.000 1.153 130 P CA 1.262 64.283 63.100 -0.133 0.000 0.858 130 P CB -0.167 31.490 31.700 -0.071 0.000 0.789 131 L N 0.030 121.130 121.223 -0.205 0.000 2.013 131 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 131 L C 1.993 178.668 176.870 -0.325 0.000 1.073 131 L CA 2.246 56.922 54.840 -0.273 0.000 0.753 131 L CB -1.436 40.385 42.059 -0.397 0.000 0.890 131 L HN -0.100 nan 8.230 nan 0.000 0.432 132 V N 0.508 120.179 119.914 -0.405 0.000 2.343 132 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 132 V C 2.726 178.577 176.094 -0.406 0.000 1.051 132 V CA 1.888 63.929 62.300 -0.431 0.000 1.036 132 V CB -0.681 30.807 31.823 -0.559 0.000 0.654 132 V HN 0.450 nan 8.190 nan 0.000 0.451 133 K N -0.018 120.101 120.400 -0.467 0.000 2.009 133 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 133 K C 2.421 178.871 176.600 -0.250 0.000 1.049 133 K CA 1.587 57.522 56.287 -0.588 0.000 0.929 133 K CB -0.300 31.859 32.500 -0.568 0.000 0.714 133 K HN 0.399 nan 8.250 nan 0.000 0.440 134 R N 0.850 121.248 120.500 -0.171 0.000 2.073 134 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 134 R C 2.510 178.774 176.300 -0.060 0.000 1.134 134 R CA 1.209 57.260 56.100 -0.082 0.000 0.952 134 R CB -0.488 29.767 30.300 -0.075 0.000 0.850 134 R HN 0.163 nan 8.270 nan 0.000 0.433 135 L N 0.093 121.260 121.223 -0.095 0.000 2.012 135 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 135 L C 2.580 179.445 176.870 -0.007 0.000 1.073 135 L CA 1.408 56.212 54.840 -0.060 0.000 0.748 135 L CB -0.499 41.502 42.059 -0.097 0.000 0.891 135 L HN 0.292 nan 8.230 nan 0.000 0.431 136 A N -0.593 122.228 122.820 0.001 0.000 2.066 136 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 136 A C 2.004 179.675 177.584 0.144 0.000 1.157 136 A CA 1.415 53.520 52.037 0.113 0.000 0.670 136 A CB -0.601 18.535 19.000 0.226 0.000 0.804 136 A HN 0.461 nan 8.150 nan 0.000 0.453 137 G N -0.604 108.268 108.800 0.120 0.000 3.393 137 G HA2 0.427 4.387 3.960 -0.000 0.000 0.255 137 G HA3 0.427 4.387 3.960 -0.000 0.000 0.255 137 G C 0.676 175.606 174.900 0.050 0.000 1.097 137 G CA 0.430 45.602 45.100 0.121 0.000 0.780 137 G HN 0.659 nan 8.290 nan 0.000 0.540 138 G N 0.096 108.917 108.800 0.035 0.000 2.636 138 G HA2 0.271 4.231 3.960 -0.000 0.000 0.246 138 G HA3 0.271 4.231 3.960 -0.000 0.000 0.246 138 G C 0.519 175.409 174.900 -0.016 0.000 1.216 138 G CA -0.220 44.890 45.100 0.017 0.000 0.854 138 G HN 0.062 nan 8.290 nan 0.000 0.572 139 D N -0.738 119.613 120.400 -0.082 0.000 2.178 139 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 139 D C 0.397 176.506 176.300 -0.318 0.000 0.980 139 D CA 1.027 54.854 54.000 -0.288 0.000 0.842 139 D CB 0.178 40.636 40.800 -0.569 0.000 0.948 139 D HN 0.322 nan 8.370 nan 0.000 0.472 140 W N 0.462 121.763 121.300 0.002 0.000 2.639 140 W HA 0.163 4.823 4.660 -0.000 0.000 0.347 140 W C 0.995 177.501 176.519 -0.022 0.000 1.067 140 W CA -1.142 56.202 57.345 -0.001 0.000 1.218 140 W CB 0.624 30.032 29.460 -0.087 0.000 1.393 140 W HN -0.167 nan 8.180 nan 0.000 0.557 141 F N -0.324 119.784 119.950 0.262 0.000 2.451 141 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 141 F C 1.860 177.720 175.800 0.100 0.000 1.101 141 F CA 1.671 59.749 58.000 0.131 0.000 1.436 141 F CB -1.165 37.896 39.000 0.102 0.000 1.074 141 F HN 0.142 nan 8.300 nan 0.000 0.553 142 T N -2.273 111.864 114.554 -0.695 0.000 2.737 142 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 142 T C 2.015 176.612 174.700 -0.171 0.000 1.038 142 T CA 1.331 63.119 62.100 -0.520 0.000 1.144 142 T CB -1.018 67.508 68.868 -0.571 0.000 0.866 142 T HN 0.341 nan 8.240 nan 0.000 0.434 143 S N 1.623 117.271 115.700 -0.087 0.000 2.359 143 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 143 S C 2.295 176.896 174.600 0.002 0.000 1.035 143 S CA 1.130 59.315 58.200 -0.025 0.000 1.018 143 S CB -0.334 62.879 63.200 0.020 0.000 0.876 143 S HN 0.507 nan 8.310 nan 0.000 0.448 144 R N 0.761 121.282 120.500 0.035 0.000 2.075 144 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 144 R C 2.696 179.031 176.300 0.058 0.000 1.126 144 R CA 1.771 57.907 56.100 0.061 0.000 0.963 144 R CB -1.109 29.242 30.300 0.086 0.000 0.858 144 R HN 0.595 nan 8.270 nan 0.000 0.435 145 T N -0.884 113.707 114.554 0.063 0.000 2.788 145 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 145 T C 2.105 176.834 174.700 0.048 0.000 1.044 145 T CA 1.449 63.588 62.100 0.065 0.000 1.139 145 T CB -0.227 68.701 68.868 0.100 0.000 0.867 145 T HN 0.039 nan 8.240 nan 0.000 0.454 146 S N 1.883 117.596 115.700 0.023 0.000 2.368 146 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 146 S C 2.658 177.284 174.600 0.043 0.000 1.030 146 S CA 0.936 59.145 58.200 0.016 0.000 0.999 146 S CB -0.822 62.364 63.200 -0.023 0.000 0.844 146 S HN 0.736 nan 8.310 nan 0.000 0.459 147 A N 0.720 123.573 122.820 0.056 0.000 1.908 147 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 147 A C 2.357 180.119 177.584 0.297 0.000 1.181 147 A CA 1.691 53.797 52.037 0.114 0.000 0.627 147 A CB -1.395 17.690 19.000 0.141 0.000 0.818 147 A HN 0.640 nan 8.150 nan 0.000 0.445 148 C N -0.939 118.492 119.300 0.219 0.000 2.403 148 C HA -0.041 4.419 4.460 -0.000 0.000 0.282 148 C C 2.660 177.815 174.990 0.274 0.000 1.297 148 C CA 0.592 59.728 59.018 0.196 0.000 1.785 148 C CB -1.688 26.065 27.740 0.021 0.000 1.963 148 C HN 0.722 nan 8.230 nan 0.000 0.507 149 G N -0.566 108.356 108.800 0.203 0.000 2.920 149 G HA2 0.151 4.111 3.960 -0.000 0.000 0.208 149 G HA3 0.151 4.111 3.960 -0.000 0.000 0.208 149 G C 1.263 176.279 174.900 0.193 0.000 1.159 149 G CA 0.184 45.387 45.100 0.173 0.000 0.784 149 G HN 0.566 nan 8.290 nan 0.000 0.535 150 L N -1.417 119.946 121.223 0.233 0.000 2.701 150 L HA 0.343 4.683 4.340 -0.000 0.000 0.238 150 L C 1.968 178.938 176.870 0.167 0.000 1.106 150 L CA -0.227 54.715 54.840 0.171 0.000 0.898 150 L CB -0.036 42.046 42.059 0.039 0.000 1.188 150 L HN 0.018 nan 8.230 nan 0.000 0.508 151 F N 1.287 121.280 119.950 0.072 0.000 2.102 151 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 151 F C 2.852 178.756 175.800 0.173 0.000 1.105 151 F CA 1.817 59.841 58.000 0.040 0.000 1.239 151 F CB -0.558 38.225 39.000 -0.361 0.000 0.991 151 F HN 0.098 nan 8.300 nan 0.000 0.474 152 S N -0.016 115.894 115.700 0.349 0.000 2.607 152 S HA -0.014 4.456 4.470 -0.000 0.000 0.224 152 S C 1.572 176.299 174.600 0.213 0.000 0.969 152 S CA 0.687 59.085 58.200 0.330 0.000 0.927 152 S CB -0.970 62.394 63.200 0.273 0.000 0.772 152 S HN 0.244 nan 8.310 nan 0.000 0.533 153 V N -1.129 118.865 119.914 0.134 0.000 3.431 153 V HA 0.126 4.246 4.120 -0.000 0.000 0.253 153 V C 2.228 178.252 176.094 -0.117 0.000 1.184 153 V CA 0.402 62.695 62.300 -0.010 0.000 1.104 153 V CB -1.017 30.707 31.823 -0.165 0.000 0.799 153 V HN 0.758 nan 8.190 nan 0.000 0.462 154 C N -1.813 117.449 119.300 -0.063 0.000 2.558 154 C HA 0.239 4.699 4.460 -0.000 0.000 0.288 154 C C 2.483 177.499 174.990 0.044 0.000 1.338 154 C CA 0.482 59.429 59.018 -0.119 0.000 1.760 154 C CB -1.431 26.234 27.740 -0.125 0.000 2.159 154 C HN 0.557 nan 8.230 nan 0.000 0.518 155 Y N 3.955 124.297 120.300 0.071 0.000 2.081 155 Y HA -0.071 4.478 4.550 -0.001 0.000 0.280 155 Y C -0.592 175.340 175.900 0.053 0.000 1.163 155 Y CA 2.453 60.624 58.100 0.118 0.000 1.135 155 Y CB -1.401 37.207 38.460 0.246 0.000 0.970 155 Y HN 0.227 nan 8.280 nan 0.000 0.498 156 P HA -0.082 nan 4.420 nan 0.000 0.228 156 P C 0.643 177.936 177.300 -0.011 0.000 1.151 156 P CA 1.669 64.833 63.100 0.108 0.000 0.770 156 P CB 0.042 31.819 31.700 0.128 0.000 0.786 157 R N -0.777 119.703 120.500 -0.034 0.000 2.472 157 R HA 0.182 4.522 4.340 -0.000 0.000 0.279 157 R C 0.273 176.528 176.300 -0.075 0.000 0.953 157 R CA -0.112 55.961 56.100 -0.046 0.000 1.088 157 R CB 0.540 30.822 30.300 -0.029 0.000 1.197 157 R HN 0.118 nan 8.270 nan 0.000 0.536 158 V N -2.219 117.623 119.914 -0.120 0.000 3.096 158 V HA 0.602 4.722 4.120 -0.000 0.000 0.319 158 V C 0.345 176.356 176.094 -0.137 0.000 1.103 158 V CA -1.116 61.114 62.300 -0.117 0.000 1.016 158 V CB 1.817 33.573 31.823 -0.111 0.000 1.090 158 V HN 0.155 nan 8.190 nan 0.000 0.449 159 S N 1.212 116.853 115.700 -0.098 0.000 2.584 159 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 159 S C 1.285 175.826 174.600 -0.099 0.000 1.346 159 S CA 0.156 58.306 58.200 -0.083 0.000 1.018 159 S CB 0.844 64.013 63.200 -0.052 0.000 0.899 159 S HN 1.535 nan 8.310 nan 0.000 0.542 160 S N 1.894 117.548 115.700 -0.076 0.000 2.382 160 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 160 S C 2.059 176.642 174.600 -0.029 0.000 1.027 160 S CA 0.720 58.881 58.200 -0.066 0.000 0.991 160 S CB -1.243 61.936 63.200 -0.036 0.000 0.823 160 S HN 1.058 nan 8.310 nan 0.000 0.469 161 A N 1.884 124.696 122.820 -0.014 0.000 1.877 161 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 161 A C 2.423 180.024 177.584 0.028 0.000 1.186 161 A CA 1.754 53.799 52.037 0.013 0.000 0.620 161 A CB -1.191 17.815 19.000 0.010 0.000 0.822 161 A HN 0.406 nan 8.150 nan 0.000 0.443 162 V N 0.094 120.010 119.914 0.003 0.000 2.407 162 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 162 V C 2.404 178.523 176.094 0.041 0.000 1.055 162 V CA 2.403 64.713 62.300 0.017 0.000 1.049 162 V CB -0.760 31.051 31.823 -0.019 0.000 0.662 162 V HN 0.549 nan 8.190 nan 0.000 0.455 163 K N 0.384 120.755 120.400 -0.049 0.000 2.147 163 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 163 K C 2.231 178.966 176.600 0.224 0.000 1.049 163 K CA 1.434 57.682 56.287 -0.065 0.000 0.936 163 K CB -0.402 31.881 32.500 -0.363 0.000 0.722 163 K HN 0.500 nan 8.250 nan 0.000 0.446 164 A N 1.119 124.030 122.820 0.152 0.000 2.014 164 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 164 A C 1.790 179.510 177.584 0.226 0.000 1.163 164 A CA 1.277 53.421 52.037 0.177 0.000 0.652 164 A CB -0.194 18.872 19.000 0.110 0.000 0.808 164 A HN 0.268 nan 8.150 nan 0.000 0.449 165 E N -0.189 120.153 120.200 0.238 0.000 2.051 165 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 165 E C 1.866 178.762 176.600 0.494 0.000 0.979 165 E CA 0.819 57.411 56.400 0.320 0.000 0.803 165 E CB -0.230 29.632 29.700 0.270 0.000 0.761 165 E HN 0.585 nan 8.360 nan 0.000 0.451 166 L N 0.744 122.251 121.223 0.474 0.000 2.079 166 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 166 L C 2.540 179.872 176.870 0.770 0.000 1.081 166 L CA 1.188 56.426 54.840 0.662 0.000 0.752 166 L CB -0.313 42.160 42.059 0.690 0.000 0.896 166 L HN 0.072 nan 8.230 nan 0.000 0.433 167 R N -0.965 119.897 120.500 0.603 0.000 2.075 167 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 167 R C 2.364 178.890 176.300 0.376 0.000 1.126 167 R CA 0.815 57.210 56.100 0.492 0.000 0.963 167 R CB -0.235 30.270 30.300 0.342 0.000 0.858 167 R HN 0.319 nan 8.270 nan 0.000 0.435 168 Q N 0.183 120.166 119.800 0.304 0.000 2.020 168 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 168 Q C 1.924 177.994 176.000 0.117 0.000 0.982 168 Q CA 1.793 57.683 55.803 0.145 0.000 0.838 168 Q CB -0.360 28.399 28.738 0.036 0.000 0.899 168 Q HN 0.390 nan 8.270 nan 0.000 0.423 169 Y N -0.676 119.773 120.300 0.248 0.000 2.165 169 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 169 Y C 2.152 178.130 175.900 0.130 0.000 1.155 169 Y CA 1.512 59.761 58.100 0.248 0.000 1.164 169 Y CB -0.577 38.118 38.460 0.391 0.000 0.978 169 Y HN 0.139 nan 8.280 nan 0.000 0.513 170 F N 0.454 120.439 119.950 0.058 0.000 2.161 170 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 170 F C 2.564 178.264 175.800 -0.167 0.000 1.089 170 F CA 1.467 59.191 58.000 -0.461 0.000 1.282 170 F CB -0.222 38.311 39.000 -0.778 0.000 1.010 170 F HN -0.139 nan 8.300 nan 0.000 0.485 171 R N 0.247 120.820 120.500 0.121 0.000 2.092 171 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 171 R C 1.866 178.143 176.300 -0.039 0.000 1.119 171 R CA 1.818 57.958 56.100 0.066 0.000 0.970 171 R CB -0.441 29.916 30.300 0.095 0.000 0.864 171 R HN 0.445 nan 8.270 nan 0.000 0.440 172 N N -0.038 118.630 118.700 -0.053 0.000 2.216 172 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 172 N C 1.767 177.222 175.510 -0.090 0.000 1.017 172 N CA 0.730 53.739 53.050 -0.068 0.000 0.861 172 N CB 0.016 38.459 38.487 -0.074 0.000 0.986 172 N HN 0.123 nan 8.380 nan 0.000 0.428 173 L N 0.516 121.645 121.223 -0.156 0.000 2.046 173 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 173 L C 2.199 178.926 176.870 -0.238 0.000 1.077 173 L CA 0.827 55.535 54.840 -0.219 0.000 0.747 173 L CB -0.508 41.318 42.059 -0.388 0.000 0.896 173 L HN 0.350 nan 8.230 nan 0.000 0.432 174 C N -0.419 118.706 119.300 -0.292 0.000 2.409 174 C HA -0.102 4.358 4.460 -0.000 0.000 0.284 174 C C 2.197 177.129 174.990 -0.096 0.000 1.354 174 C CA 1.099 60.008 59.018 -0.182 0.000 1.787 174 C CB -1.258 26.418 27.740 -0.107 0.000 1.900 174 C HN 0.644 nan 8.230 nan 0.000 0.520 175 S N -1.059 114.590 115.700 -0.084 0.000 2.661 175 S HA 0.227 4.697 4.470 -0.000 0.000 0.245 175 S C -0.636 173.933 174.600 -0.051 0.000 1.117 175 S CA -0.446 57.720 58.200 -0.056 0.000 1.091 175 S CB -0.224 62.950 63.200 -0.042 0.000 0.887 175 S HN 0.515 nan 8.310 nan 0.000 0.491 176 D N 1.731 122.098 120.400 -0.055 0.000 2.378 176 D HA 0.143 4.783 4.640 -0.000 0.000 0.238 176 D C 0.668 176.949 176.300 -0.032 0.000 1.180 176 D CA 0.158 54.135 54.000 -0.037 0.000 0.895 176 D CB 0.670 41.452 40.800 -0.029 0.000 1.192 176 D HN 0.052 nan 8.370 nan 0.000 0.438 177 D N -0.072 120.313 120.400 -0.024 0.000 2.224 177 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 177 D C 0.581 176.862 176.300 -0.032 0.000 0.965 177 D CA 0.855 54.839 54.000 -0.027 0.000 0.852 177 D CB -0.231 40.554 40.800 -0.023 0.000 0.947 177 D HN 0.469 nan 8.370 nan 0.000 0.494 178 T N -0.967 113.570 114.554 -0.029 0.000 2.837 178 T HA 0.277 4.627 4.350 -0.000 0.000 0.285 178 T C -1.918 172.749 174.700 -0.055 0.000 0.984 178 T CA -1.769 60.301 62.100 -0.050 0.000 1.049 178 T CB 2.590 71.424 68.868 -0.056 0.000 0.947 178 T HN -0.223 nan 8.240 nan 0.000 0.472 179 P HA -0.044 nan 4.420 nan 0.000 0.225 179 P C 1.328 178.592 177.300 -0.060 0.000 1.148 179 P CA 0.723 63.785 63.100 -0.063 0.000 0.779 179 P CB -0.051 31.609 31.700 -0.067 0.000 0.780 180 M N -0.749 118.799 119.600 -0.087 0.000 2.086 180 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 180 M C 2.160 178.479 176.300 0.031 0.000 1.067 180 M CA 1.687 56.956 55.300 -0.051 0.000 1.116 180 M CB -1.557 30.948 32.600 -0.158 0.000 1.348 180 M HN -0.247 nan 8.290 nan 0.000 0.407 181 V N -0.331 119.605 119.914 0.037 0.000 2.407 181 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 181 V C 2.395 178.470 176.094 -0.032 0.000 1.041 181 V CA 1.494 63.813 62.300 0.032 0.000 1.040 181 V CB -0.628 31.219 31.823 0.039 0.000 0.671 181 V HN 0.387 nan 8.190 nan 0.000 0.455 182 R N -0.037 120.438 120.500 -0.042 0.000 2.083 182 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 182 R C 2.526 178.802 176.300 -0.041 0.000 1.137 182 R CA 1.568 57.633 56.100 -0.058 0.000 0.951 182 R CB -0.448 29.822 30.300 -0.051 0.000 0.851 182 R HN 0.441 nan 8.270 nan 0.000 0.434 183 R N 0.247 120.733 120.500 -0.024 0.000 2.096 183 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 183 R C 2.287 178.590 176.300 0.005 0.000 1.139 183 R CA 1.794 57.890 56.100 -0.007 0.000 0.952 183 R CB -0.353 29.945 30.300 -0.004 0.000 0.854 183 R HN 0.245 nan 8.270 nan 0.000 0.436 184 A N 0.383 123.206 122.820 0.005 0.000 1.968 184 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 184 A C 2.217 179.796 177.584 -0.009 0.000 1.169 184 A CA 1.334 53.381 52.037 0.017 0.000 0.638 184 A CB -0.356 18.664 19.000 0.033 0.000 0.812 184 A HN 0.435 nan 8.150 nan 0.000 0.446 185 A N 0.275 123.047 122.820 -0.081 0.000 1.832 185 A HA 0.170 4.490 4.320 -0.000 0.000 0.214 185 A C 2.519 180.107 177.584 0.006 0.000 1.200 185 A CA 2.065 53.991 52.037 -0.185 0.000 0.610 185 A CB -1.305 17.485 19.000 -0.352 0.000 0.842 185 A HN 1.148 nan 8.150 nan 0.000 0.444 186 A N -0.797 122.038 122.820 0.024 0.000 2.042 186 A HA -0.145 4.174 4.320 -0.000 0.000 0.222 186 A C 2.381 180.033 177.584 0.113 0.000 1.167 186 A CA 2.209 54.302 52.037 0.093 0.000 0.649 186 A CB -0.887 18.153 19.000 0.066 0.000 0.809 186 A HN 0.450 nan 8.150 nan 0.000 0.457 187 S N -0.882 114.870 115.700 0.088 0.000 2.402 187 S HA -0.059 4.411 4.470 -0.000 0.000 0.229 187 S C 1.476 176.145 174.600 0.116 0.000 1.021 187 S CA 1.242 59.496 58.200 0.089 0.000 0.974 187 S CB -0.048 63.195 63.200 0.071 0.000 0.800 187 S HN 0.483 nan 8.310 nan 0.000 0.484 188 K N 0.683 121.181 120.400 0.164 0.000 2.399 188 K HA 0.321 4.641 4.320 -0.000 0.000 0.204 188 K C 1.092 177.836 176.600 0.239 0.000 1.023 188 K CA -0.148 56.257 56.287 0.197 0.000 1.127 188 K CB 0.101 32.735 32.500 0.223 0.000 0.856 188 K HN 0.223 nan 8.250 nan 0.000 0.514 189 L N 0.612 121.984 121.223 0.248 0.000 2.044 189 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 189 L C 1.940 178.859 176.870 0.081 0.000 1.075 189 L CA 1.963 56.935 54.840 0.219 0.000 0.747 189 L CB -0.793 41.417 42.059 0.252 0.000 0.903 189 L HN 0.258 nan 8.230 nan 0.000 0.435 190 G N -1.338 107.495 108.800 0.056 0.000 2.433 190 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 190 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 190 G C 1.453 176.355 174.900 0.004 0.000 1.186 190 G CA 0.750 45.849 45.100 -0.001 0.000 0.779 190 G HN 0.499 nan 8.290 nan 0.000 0.543 191 E N -0.673 119.556 120.200 0.048 0.000 2.108 191 E HA -0.247 4.103 4.350 -0.000 0.000 0.203 191 E C 2.116 178.761 176.600 0.075 0.000 1.022 191 E CA 1.338 57.777 56.400 0.065 0.000 0.823 191 E CB -0.286 29.474 29.700 0.099 0.000 0.744 191 E HN 0.350 nan 8.360 nan 0.000 0.456 192 F N 0.843 120.692 119.950 -0.170 0.000 2.084 192 F HA -0.056 4.471 4.527 -0.001 0.000 0.296 192 F C 2.198 177.813 175.800 -0.309 0.000 1.111 192 F CA 1.355 59.162 58.000 -0.322 0.000 1.224 192 F CB -1.061 37.525 39.000 -0.692 0.000 0.991 192 F HN 0.094 nan 8.300 nan 0.000 0.471 193 A N 0.606 123.268 122.820 -0.263 0.000 1.884 193 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 193 A C 2.213 179.640 177.584 -0.261 0.000 1.197 193 A CA 2.206 54.051 52.037 -0.320 0.000 0.637 193 A CB -0.986 17.895 19.000 -0.197 0.000 0.827 193 A HN 0.458 nan 8.150 nan 0.000 0.450 194 K N -0.951 119.357 120.400 -0.153 0.000 2.589 194 K HA -0.018 4.302 4.320 -0.000 0.000 0.195 194 K C 0.971 177.511 176.600 -0.100 0.000 1.042 194 K CA 0.999 57.226 56.287 -0.101 0.000 0.940 194 K CB -0.156 32.314 32.500 -0.049 0.000 0.776 194 K HN 0.352 nan 8.250 nan 0.000 0.487 195 V N 0.421 120.232 119.914 -0.171 0.000 3.502 195 V HA 0.065 4.184 4.120 -0.000 0.000 0.288 195 V C 0.006 175.992 176.094 -0.180 0.000 1.461 195 V CA -0.030 62.200 62.300 -0.117 0.000 1.029 195 V CB 0.350 32.152 31.823 -0.035 0.000 0.843 195 V HN 0.065 nan 8.190 nan 0.000 0.438 196 L N 1.365 122.371 121.223 -0.362 0.000 2.439 196 L HA 0.365 4.705 4.340 -0.000 0.000 0.261 196 L C 0.697 177.501 176.870 -0.110 0.000 1.153 196 L CA -0.082 54.549 54.840 -0.349 0.000 0.808 196 L CB 0.668 42.390 42.059 -0.562 0.000 1.126 196 L HN 0.280 nan 8.230 nan 0.000 0.460 197 E N 1.993 122.186 120.200 -0.011 0.000 2.383 197 E HA -0.007 4.343 4.350 -0.000 0.000 0.264 197 E C 0.837 177.407 176.600 -0.049 0.000 1.050 197 E CA -0.323 56.071 56.400 -0.009 0.000 0.896 197 E CB 0.626 30.341 29.700 0.026 0.000 0.982 197 E HN 0.478 nan 8.360 nan 0.000 0.424 198 L N 1.880 123.076 121.223 -0.045 0.000 2.079 198 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 198 L C 1.673 178.513 176.870 -0.049 0.000 1.081 198 L CA 2.481 57.288 54.840 -0.055 0.000 0.752 198 L CB -0.405 41.628 42.059 -0.044 0.000 0.896 198 L HN 0.677 nan 8.230 nan 0.000 0.433 199 D N -2.816 117.566 120.400 -0.031 0.000 2.363 199 D HA -0.122 4.518 4.640 -0.000 0.000 0.220 199 D C 1.492 177.778 176.300 -0.023 0.000 0.994 199 D CA 0.676 54.662 54.000 -0.023 0.000 0.890 199 D CB -0.672 40.120 40.800 -0.013 0.000 0.906 199 D HN 0.392 nan 8.370 nan 0.000 0.530 200 N N -0.120 118.560 118.700 -0.033 0.000 2.300 200 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 200 N C 1.632 177.092 175.510 -0.083 0.000 1.016 200 N CA 0.604 53.627 53.050 -0.044 0.000 0.876 200 N CB 0.261 38.723 38.487 -0.043 0.000 0.979 200 N HN -0.030 nan 8.380 nan 0.000 0.432 201 V N 1.771 121.620 119.914 -0.107 0.000 2.287 201 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 201 V C 2.050 178.104 176.094 -0.067 0.000 1.053 201 V CA 1.712 63.941 62.300 -0.118 0.000 1.027 201 V CB -0.425 31.323 31.823 -0.125 0.000 0.646 201 V HN 0.290 nan 8.190 nan 0.000 0.447 202 K N 0.765 121.137 120.400 -0.046 0.000 2.026 202 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 202 K C 2.351 178.950 176.600 -0.002 0.000 1.048 202 K CA 1.915 58.190 56.287 -0.021 0.000 0.929 202 K CB -0.358 32.132 32.500 -0.017 0.000 0.713 202 K HN 0.640 nan 8.250 nan 0.000 0.439 203 S N -0.037 115.661 115.700 -0.003 0.000 2.478 203 S HA 0.030 4.500 4.470 -0.000 0.000 0.222 203 S C 1.582 176.195 174.600 0.021 0.000 1.008 203 S CA 0.478 58.685 58.200 0.011 0.000 0.928 203 S CB 0.247 63.453 63.200 0.011 0.000 0.781 203 S HN 0.251 nan 8.310 nan 0.000 0.518 204 E N -0.113 120.096 120.200 0.014 0.000 2.414 204 E HA 0.356 4.705 4.350 -0.000 0.000 0.208 204 E C 1.623 178.252 176.600 0.049 0.000 0.820 204 E CA -0.022 56.399 56.400 0.034 0.000 1.143 204 E CB 0.269 29.992 29.700 0.038 0.000 1.150 204 E HN 0.330 nan 8.360 nan 0.000 0.540 205 I N 1.671 122.248 120.570 0.011 0.000 2.277 205 I HA -0.182 3.988 4.170 -0.000 0.000 0.243 205 I C 2.177 178.361 176.117 0.112 0.000 1.094 205 I CA 0.753 62.074 61.300 0.034 0.000 1.393 205 I CB -0.239 37.723 38.000 -0.064 0.000 1.078 205 I HN 0.154 nan 8.210 nan 0.000 0.417 206 I N 1.868 122.494 120.570 0.094 0.000 2.091 206 I HA -0.214 3.956 4.170 -0.000 0.000 0.239 206 I C -0.026 176.210 176.117 0.199 0.000 1.061 206 I CA 2.118 63.529 61.300 0.185 0.000 1.317 206 I CB -3.065 35.006 38.000 0.119 0.000 1.031 206 I HN 0.139 nan 8.210 nan 0.000 0.401 207 P HA -0.196 nan 4.420 nan 0.000 0.215 207 P C 2.151 179.502 177.300 0.085 0.000 1.157 207 P CA 1.835 64.981 63.100 0.078 0.000 0.874 207 P CB -0.185 31.550 31.700 0.058 0.000 0.790 208 M N -2.054 117.619 119.600 0.122 0.000 2.082 208 M HA -0.180 4.300 4.480 -0.000 0.000 0.258 208 M C 2.248 178.642 176.300 0.156 0.000 1.069 208 M CA 1.933 57.317 55.300 0.140 0.000 1.102 208 M CB -0.962 31.762 32.600 0.207 0.000 1.336 208 M HN -0.109 nan 8.290 nan 0.000 0.404 209 F N 0.153 120.132 119.950 0.048 0.000 2.146 209 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 209 F C 2.590 178.404 175.800 0.024 0.000 1.096 209 F CA 1.734 59.757 58.000 0.038 0.000 1.275 209 F CB -0.608 38.409 39.000 0.029 0.000 1.008 209 F HN 0.016 nan 8.300 nan 0.000 0.480 210 S N 0.360 115.904 115.700 -0.260 0.000 2.368 210 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 210 S C 1.780 176.234 174.600 -0.243 0.000 1.030 210 S CA 1.895 59.876 58.200 -0.365 0.000 0.999 210 S CB -0.751 62.370 63.200 -0.131 0.000 0.844 210 S HN 0.677 nan 8.310 nan 0.000 0.459 211 N N 0.605 119.232 118.700 -0.122 0.000 2.120 211 N HA -0.030 4.710 4.740 -0.000 0.000 0.188 211 N C 1.736 177.190 175.510 -0.094 0.000 1.024 211 N CA 1.434 54.434 53.050 -0.084 0.000 0.852 211 N CB -0.266 38.199 38.487 -0.037 0.000 1.003 211 N HN 0.321 nan 8.380 nan 0.000 0.424 212 L N 0.616 121.787 121.223 -0.087 0.000 2.141 212 L HA -0.054 4.285 4.340 -0.000 0.000 0.209 212 L C 2.384 179.188 176.870 -0.110 0.000 1.094 212 L CA 0.583 55.383 54.840 -0.066 0.000 0.763 212 L CB -0.343 41.715 42.059 -0.002 0.000 0.908 212 L HN 0.216 nan 8.230 nan 0.000 0.437 213 A N -0.620 122.066 122.820 -0.223 0.000 2.119 213 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 213 A C 2.005 179.493 177.584 -0.161 0.000 1.153 213 A CA 1.312 53.203 52.037 -0.244 0.000 0.692 213 A CB -0.302 18.397 19.000 -0.501 0.000 0.799 213 A HN 0.451 nan 8.150 nan 0.000 0.458 214 S N -0.666 114.950 115.700 -0.140 0.000 2.651 214 S HA 0.155 4.625 4.470 -0.000 0.000 0.246 214 S C -0.051 174.507 174.600 -0.071 0.000 1.039 214 S CA -0.451 57.692 58.200 -0.094 0.000 1.013 214 S CB -0.272 62.875 63.200 -0.089 0.000 0.861 214 S HN 0.460 nan 8.310 nan 0.000 0.485 215 D N 2.507 122.865 120.400 -0.069 0.000 2.400 215 D HA -0.023 4.616 4.640 -0.000 0.000 0.238 215 D C 1.304 177.575 176.300 -0.049 0.000 1.157 215 D CA 0.296 54.263 54.000 -0.055 0.000 0.889 215 D CB 0.982 41.750 40.800 -0.052 0.000 1.199 215 D HN 0.606 nan 8.370 nan 0.000 0.436 216 E N 1.806 121.980 120.200 -0.044 0.000 2.077 216 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 216 E C 0.083 176.657 176.600 -0.044 0.000 0.989 216 E CA 0.596 56.972 56.400 -0.040 0.000 0.800 216 E CB -0.053 29.626 29.700 -0.036 0.000 0.746 216 E HN 0.408 nan 8.360 nan 0.000 0.452 217 Q N 2.145 121.916 119.800 -0.047 0.000 2.296 217 Q HA -0.008 4.332 4.340 -0.000 0.000 0.262 217 Q C 0.298 176.262 176.000 -0.060 0.000 0.981 217 Q CA 0.365 56.136 55.803 -0.053 0.000 0.905 217 Q CB 1.276 29.983 28.738 -0.052 0.000 1.186 217 Q HN 0.389 nan 8.270 nan 0.000 0.399 218 D N 0.640 120.996 120.400 -0.073 0.000 2.347 218 D HA -0.134 4.506 4.640 -0.000 0.000 0.215 218 D C 1.216 177.459 176.300 -0.095 0.000 0.976 218 D CA 0.936 54.881 54.000 -0.091 0.000 0.884 218 D CB 0.069 40.794 40.800 -0.125 0.000 0.915 218 D HN 0.392 nan 8.370 nan 0.000 0.526 219 S N -0.142 115.508 115.700 -0.083 0.000 2.428 219 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 219 S C 2.021 176.594 174.600 -0.045 0.000 1.014 219 S CA 0.616 58.772 58.200 -0.072 0.000 0.957 219 S CB -0.590 62.571 63.200 -0.065 0.000 0.784 219 S HN 0.154 nan 8.310 nan 0.000 0.499 220 V N 2.476 122.364 119.914 -0.042 0.000 2.323 220 V HA -0.054 4.066 4.120 -0.000 0.000 0.244 220 V C 2.918 179.000 176.094 -0.020 0.000 1.041 220 V CA 1.653 63.937 62.300 -0.027 0.000 1.025 220 V CB -0.746 31.057 31.823 -0.034 0.000 0.656 220 V HN 0.434 nan 8.190 nan 0.000 0.451 221 R N 0.616 121.095 120.500 -0.037 0.000 2.103 221 R HA -0.161 4.179 4.340 -0.000 0.000 0.242 221 R C 2.344 178.638 176.300 -0.009 0.000 1.142 221 R CA 1.897 57.975 56.100 -0.036 0.000 0.960 221 R CB -0.691 29.579 30.300 -0.051 0.000 0.858 221 R HN 0.561 nan 8.270 nan 0.000 0.439 222 L N -0.384 120.831 121.223 -0.015 0.000 2.201 222 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 222 L C 1.790 178.687 176.870 0.046 0.000 1.105 222 L CA 1.594 56.441 54.840 0.011 0.000 0.775 222 L CB -0.706 41.341 42.059 -0.019 0.000 0.913 222 L HN 0.171 nan 8.230 nan 0.000 0.440 223 L N 0.897 122.145 121.223 0.041 0.000 2.217 223 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 223 L C 3.050 179.983 176.870 0.106 0.000 1.107 223 L CA 0.818 55.697 54.840 0.065 0.000 0.783 223 L CB -0.641 41.448 42.059 0.051 0.000 0.919 223 L HN 0.359 nan 8.230 nan 0.000 0.442 224 A N -0.273 122.618 122.820 0.117 0.000 1.968 224 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 224 A C 2.329 180.110 177.584 0.327 0.000 1.169 224 A CA 1.111 53.283 52.037 0.224 0.000 0.638 224 A CB -0.538 18.525 19.000 0.106 0.000 0.812 224 A HN 0.165 nan 8.150 nan 0.000 0.446 225 V N 0.643 120.680 119.914 0.205 0.000 2.255 225 V HA -0.315 3.804 4.120 -0.000 0.000 0.247 225 V C 2.414 178.586 176.094 0.130 0.000 1.051 225 V CA 2.343 64.756 62.300 0.187 0.000 1.018 225 V CB -0.967 30.932 31.823 0.127 0.000 0.641 225 V HN 0.657 nan 8.190 nan 0.000 0.445 226 E N 0.636 120.897 120.200 0.101 0.000 2.086 226 E HA -0.294 4.056 4.350 -0.000 0.000 0.200 226 E C 2.317 178.940 176.600 0.039 0.000 1.012 226 E CA 1.576 58.015 56.400 0.065 0.000 0.812 226 E CB -0.430 29.309 29.700 0.065 0.000 0.743 226 E HN 0.620 nan 8.360 nan 0.000 0.453 227 A N 1.296 124.155 122.820 0.066 0.000 1.902 227 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 227 A C 2.441 179.918 177.584 -0.179 0.000 1.181 227 A CA 1.346 53.383 52.037 0.001 0.000 0.623 227 A CB -1.154 17.907 19.000 0.101 0.000 0.818 227 A HN 0.493 nan 8.150 nan 0.000 0.443 228 C N -0.738 118.436 119.300 -0.211 0.000 2.403 228 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 228 C C 2.663 177.509 174.990 -0.240 0.000 1.269 228 C CA 1.447 60.206 59.018 -0.431 0.000 1.774 228 C CB -1.474 26.236 27.740 -0.051 0.000 1.993 228 C HN 0.425 nan 8.230 nan 0.000 0.496 229 V N 1.291 121.133 119.914 -0.120 0.000 2.270 229 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 229 V C 2.206 178.237 176.094 -0.106 0.000 1.043 229 V CA 2.545 64.790 62.300 -0.091 0.000 1.014 229 V CB -0.914 30.881 31.823 -0.046 0.000 0.645 229 V HN 0.513 nan 8.190 nan 0.000 0.447 230 N N 0.163 118.802 118.700 -0.101 0.000 2.205 230 N HA -0.116 4.623 4.740 -0.000 0.000 0.186 230 N C 1.624 177.052 175.510 -0.136 0.000 1.015 230 N CA 1.442 54.434 53.050 -0.097 0.000 0.862 230 N CB -0.326 38.117 38.487 -0.073 0.000 0.986 230 N HN 0.476 nan 8.380 nan 0.000 0.429 231 I N 0.019 120.466 120.570 -0.206 0.000 2.233 231 I HA -0.140 4.030 4.170 -0.000 0.000 0.243 231 I C 2.178 178.179 176.117 -0.192 0.000 1.093 231 I CA 0.798 61.951 61.300 -0.245 0.000 1.380 231 I CB -0.288 37.454 38.000 -0.430 0.000 1.067 231 I HN 0.108 nan 8.210 nan 0.000 0.413 232 A N -0.030 122.680 122.820 -0.184 0.000 2.019 232 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 232 A C 2.204 179.729 177.584 -0.099 0.000 1.164 232 A CA 1.366 53.325 52.037 -0.129 0.000 0.644 232 A CB -0.511 18.420 19.000 -0.115 0.000 0.805 232 A HN 0.472 nan 8.150 nan 0.000 0.449 233 Q N -0.934 118.808 119.800 -0.097 0.000 2.435 233 Q HA 0.149 4.489 4.340 -0.000 0.000 0.207 233 Q C 1.094 177.051 176.000 -0.072 0.000 0.956 233 Q CA 0.452 56.209 55.803 -0.076 0.000 0.917 233 Q CB -0.048 28.649 28.738 -0.068 0.000 0.997 233 Q HN 0.664 nan 8.270 nan 0.000 0.497 234 L N 0.153 121.326 121.223 -0.083 0.000 2.628 234 L HA 0.248 4.588 4.340 -0.000 0.000 0.229 234 L C -0.078 176.750 176.870 -0.069 0.000 1.137 234 L CA 0.129 54.922 54.840 -0.077 0.000 0.909 234 L CB 0.440 42.443 42.059 -0.094 0.000 1.137 234 L HN 0.061 nan 8.230 nan 0.000 0.470 235 L N -0.092 121.091 121.223 -0.066 0.000 2.466 235 L HA 0.543 4.883 4.340 -0.000 0.000 0.258 235 L C -2.574 174.266 176.870 -0.049 0.000 0.973 235 L CA -1.472 53.333 54.840 -0.058 0.000 0.826 235 L CB 3.148 45.167 42.059 -0.066 0.000 1.372 235 L HN -0.205 nan 8.230 nan 0.000 0.409 236 P HA 0.193 nan 4.420 nan 0.000 0.288 236 P C -0.245 177.037 177.300 -0.031 0.000 1.297 236 P CA -0.558 62.521 63.100 -0.034 0.000 0.864 236 P CB 1.348 33.031 31.700 -0.029 0.000 1.237 237 Q N 0.709 120.492 119.800 -0.028 0.000 2.156 237 Q HA -0.222 4.118 4.340 -0.000 0.000 0.211 237 Q C 1.514 177.503 176.000 -0.019 0.000 0.995 237 Q CA 2.251 58.038 55.803 -0.025 0.000 0.877 237 Q CB -0.023 28.701 28.738 -0.023 0.000 0.920 237 Q HN 0.538 nan 8.270 nan 0.000 0.416 238 E N -0.449 119.742 120.200 -0.016 0.000 2.158 238 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 238 E C 1.219 177.815 176.600 -0.008 0.000 0.982 238 E CA 1.045 57.439 56.400 -0.011 0.000 0.823 238 E CB -0.330 29.364 29.700 -0.009 0.000 0.766 238 E HN 0.331 nan 8.360 nan 0.000 0.468 239 D N 1.370 121.763 120.400 -0.012 0.000 2.224 239 D HA -0.000 4.639 4.640 -0.000 0.000 0.205 239 D C 2.263 178.561 176.300 -0.005 0.000 0.965 239 D CA 0.464 54.459 54.000 -0.009 0.000 0.852 239 D CB -0.177 40.613 40.800 -0.016 0.000 0.947 239 D HN 0.193 nan 8.370 nan 0.000 0.494 240 L N 0.530 121.747 121.223 -0.011 0.000 2.042 240 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 240 L C 2.426 179.302 176.870 0.011 0.000 1.076 240 L CA 1.079 55.915 54.840 -0.006 0.000 0.749 240 L CB -0.334 41.714 42.059 -0.018 0.000 0.893 240 L HN -0.057 nan 8.230 nan 0.000 0.432 241 E N 0.466 120.671 120.200 0.008 0.000 2.077 241 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 241 E C 2.105 178.718 176.600 0.021 0.000 0.989 241 E CA 1.568 57.977 56.400 0.015 0.000 0.800 241 E CB -0.095 29.611 29.700 0.009 0.000 0.746 241 E HN 0.390 nan 8.360 nan 0.000 0.452 242 A N -0.423 122.409 122.820 0.019 0.000 1.897 242 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 242 A C 2.083 179.688 177.584 0.035 0.000 1.181 242 A CA 1.255 53.306 52.037 0.023 0.000 0.620 242 A CB -0.290 18.720 19.000 0.017 0.000 0.821 242 A HN 0.264 nan 8.150 nan 0.000 0.443 243 L N -1.117 120.132 121.223 0.044 0.000 2.546 243 L HA 0.062 4.402 4.340 -0.000 0.000 0.185 243 L C 2.451 179.393 176.870 0.120 0.000 1.247 243 L CA 0.865 55.747 54.840 0.069 0.000 0.848 243 L CB -0.706 41.388 42.059 0.057 0.000 1.133 243 L HN 0.268 nan 8.230 nan 0.000 0.504 244 V N -2.854 117.136 119.914 0.128 0.000 2.871 244 V HA -0.125 3.995 4.120 -0.000 0.000 0.256 244 V C 2.302 178.507 176.094 0.185 0.000 1.082 244 V CA 1.079 63.516 62.300 0.229 0.000 1.105 244 V CB -0.267 31.604 31.823 0.080 0.000 0.713 244 V HN 0.370 nan 8.190 nan 0.000 0.473 245 M N 1.596 121.256 119.600 0.099 0.000 2.123 245 M HA 0.135 4.614 4.480 -0.000 0.000 0.263 245 M C -0.149 176.194 176.300 0.072 0.000 1.069 245 M CA 1.691 57.036 55.300 0.075 0.000 1.133 245 M CB -1.247 31.380 32.600 0.045 0.000 1.356 245 M HN 0.317 nan 8.290 nan 0.000 0.415 246 P HA -0.090 nan 4.420 nan 0.000 0.220 246 P C 1.191 178.512 177.300 0.035 0.000 1.148 246 P CA 1.392 64.517 63.100 0.042 0.000 0.803 246 P CB -0.298 31.420 31.700 0.030 0.000 0.782 247 T N -0.058 114.523 114.554 0.045 0.000 2.857 247 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 247 T C 1.811 176.538 174.700 0.044 0.000 1.048 247 T CA 0.538 62.635 62.100 -0.005 0.000 1.139 247 T CB -0.647 68.159 68.868 -0.103 0.000 0.874 247 T HN 0.025 nan 8.240 nan 0.000 0.455 248 L N 0.380 121.675 121.223 0.120 0.000 2.056 248 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 248 L C 2.738 179.666 176.870 0.096 0.000 1.078 248 L CA 1.258 56.177 54.840 0.131 0.000 0.749 248 L CB -0.162 41.973 42.059 0.127 0.000 0.901 248 L HN 0.087 nan 8.230 nan 0.000 0.433 249 R N -0.970 119.578 120.500 0.079 0.000 2.193 249 R HA -0.176 4.163 4.340 -0.000 0.000 0.229 249 R C 2.297 178.632 176.300 0.059 0.000 1.110 249 R CA 1.040 57.184 56.100 0.074 0.000 0.988 249 R CB 0.063 30.399 30.300 0.061 0.000 0.871 249 R HN 0.406 nan 8.270 nan 0.000 0.458 250 Q N -0.581 119.244 119.800 0.041 0.000 2.062 250 Q HA -0.008 4.331 4.340 -0.000 0.000 0.196 250 Q C 2.064 178.082 176.000 0.029 0.000 0.967 250 Q CA 1.526 57.343 55.803 0.023 0.000 0.832 250 Q CB -0.163 28.572 28.738 -0.004 0.000 0.899 250 Q HN 0.367 nan 8.270 nan 0.000 0.442 251 A N 0.989 123.831 122.820 0.037 0.000 1.940 251 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 251 A C 2.205 179.830 177.584 0.068 0.000 1.176 251 A CA 1.900 53.964 52.037 0.046 0.000 0.631 251 A CB -0.605 18.435 19.000 0.066 0.000 0.814 251 A HN 0.364 nan 8.150 nan 0.000 0.446 252 A N -0.876 121.996 122.820 0.088 0.000 2.121 252 A HA -0.032 4.287 4.320 -0.000 0.000 0.218 252 A C 1.545 179.170 177.584 0.069 0.000 1.154 252 A CA 1.448 53.545 52.037 0.099 0.000 0.679 252 A CB -0.252 18.827 19.000 0.132 0.000 0.795 252 A HN 0.615 nan 8.150 nan 0.000 0.458 253 E N -0.125 120.108 120.200 0.054 0.000 2.624 253 E HA 0.067 4.417 4.350 -0.000 0.000 0.210 253 E C -0.552 176.069 176.600 0.035 0.000 0.997 253 E CA -0.425 56.000 56.400 0.042 0.000 0.999 253 E CB 0.351 30.072 29.700 0.034 0.000 1.040 253 E HN 0.499 nan 8.360 nan 0.000 0.469 254 D N 1.880 122.302 120.400 0.035 0.000 2.449 254 D HA -0.073 4.566 4.640 -0.000 0.000 0.236 254 D C 1.087 177.404 176.300 0.028 0.000 1.149 254 D CA 0.435 54.447 54.000 0.020 0.000 0.878 254 D CB 0.975 41.782 40.800 0.010 0.000 1.198 254 D HN 0.171 nan 8.370 nan 0.000 0.446 255 K N 0.602 121.011 120.400 0.016 0.000 2.362 255 K HA -0.077 4.243 4.320 -0.000 0.000 0.200 255 K C 0.757 177.379 176.600 0.037 0.000 1.046 255 K CA 0.294 56.598 56.287 0.027 0.000 0.952 255 K CB 0.148 32.657 32.500 0.015 0.000 0.753 255 K HN 0.062 nan 8.250 nan 0.000 0.466 256 S N 1.694 117.393 115.700 -0.002 0.000 2.422 256 S HA 0.116 4.586 4.470 -0.000 0.000 0.308 256 S C 0.848 175.413 174.600 -0.058 0.000 1.097 256 S CA -1.148 57.011 58.200 -0.070 0.000 1.099 256 S CB 0.271 63.373 63.200 -0.163 0.000 0.976 256 S HN 0.508 nan 8.310 nan 0.000 0.471 257 W N 5.996 127.310 121.300 0.023 0.000 2.387 257 W HA -0.140 4.519 4.660 -0.000 0.000 0.272 257 W C 1.059 177.621 176.519 0.073 0.000 1.224 257 W CA 0.451 57.820 57.345 0.041 0.000 1.210 257 W CB -0.673 28.799 29.460 0.019 0.000 1.125 257 W HN 0.694 nan 8.180 nan 0.000 0.572 258 R N 0.799 120.759 120.500 -0.900 0.000 2.092 258 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 258 R C 2.387 178.570 176.300 -0.195 0.000 1.119 258 R CA 1.795 57.414 56.100 -0.801 0.000 0.970 258 R CB -0.456 29.294 30.300 -0.917 0.000 0.864 258 R HN 0.125 nan 8.270 nan 0.000 0.440 259 V N 0.688 120.523 119.914 -0.132 0.000 2.346 259 V HA -0.157 3.962 4.120 -0.000 0.000 0.244 259 V C 2.160 178.298 176.094 0.074 0.000 1.037 259 V CA 1.463 63.755 62.300 -0.013 0.000 1.029 259 V CB -0.405 31.402 31.823 -0.027 0.000 0.663 259 V HN 0.270 nan 8.190 nan 0.000 0.454 260 R N -0.905 119.654 120.500 0.099 0.000 2.159 260 R HA -0.204 4.136 4.340 -0.000 0.000 0.237 260 R C 2.261 178.666 176.300 0.175 0.000 1.131 260 R CA 1.875 58.055 56.100 0.134 0.000 0.982 260 R CB -0.498 29.885 30.300 0.138 0.000 0.868 260 R HN 0.673 nan 8.270 nan 0.000 0.453 261 Y N 0.957 121.320 120.300 0.106 0.000 2.220 261 Y HA -0.165 4.385 4.550 -0.001 0.000 0.291 261 Y C 2.306 178.271 175.900 0.109 0.000 1.129 261 Y CA 1.318 59.498 58.100 0.135 0.000 1.161 261 Y CB 0.004 38.583 38.460 0.197 0.000 0.997 261 Y HN -0.139 nan 8.280 nan 0.000 0.522 262 M N -0.354 119.337 119.600 0.152 0.000 2.073 262 M HA -0.237 4.242 4.480 -0.000 0.000 0.258 262 M C 2.170 178.489 176.300 0.032 0.000 1.070 262 M CA 1.567 56.905 55.300 0.063 0.000 1.103 262 M CB -1.351 31.319 32.600 0.117 0.000 1.321 262 M HN 0.265 nan 8.290 nan 0.000 0.405 263 V N 0.621 120.592 119.914 0.094 0.000 2.250 263 V HA -0.316 3.803 4.120 -0.000 0.000 0.250 263 V C 2.702 178.939 176.094 0.239 0.000 1.060 263 V CA 2.216 64.621 62.300 0.175 0.000 1.030 263 V CB -1.605 30.339 31.823 0.201 0.000 0.643 263 V HN 0.539 nan 8.190 nan 0.000 0.445 264 A N -0.114 122.753 122.820 0.078 0.000 1.877 264 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 264 A C 2.060 179.642 177.584 -0.003 0.000 1.186 264 A CA 2.182 54.214 52.037 -0.008 0.000 0.620 264 A CB -0.766 18.165 19.000 -0.115 0.000 0.822 264 A HN 0.601 nan 8.150 nan 0.000 0.443 265 D N -0.908 119.377 120.400 -0.192 0.000 2.178 265 D HA -0.093 4.546 4.640 -0.000 0.000 0.201 265 D C 1.262 177.557 176.300 -0.009 0.000 0.980 265 D CA 0.991 54.877 54.000 -0.190 0.000 0.842 265 D CB 0.094 40.657 40.800 -0.395 0.000 0.948 265 D HN 0.093 nan 8.370 nan 0.000 0.472 266 K N -0.403 120.026 120.400 0.049 0.000 2.446 266 K HA 0.076 4.396 4.320 -0.000 0.000 0.203 266 K C 0.842 177.505 176.600 0.105 0.000 1.027 266 K CA -0.272 56.054 56.287 0.066 0.000 1.166 266 K CB -0.503 32.026 32.500 0.047 0.000 0.869 266 K HN 0.266 nan 8.250 nan 0.000 0.504 267 F N 1.772 121.721 119.950 -0.000 0.000 2.146 267 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 267 F C 2.277 178.095 175.800 0.029 0.000 1.096 267 F CA 1.959 59.965 58.000 0.010 0.000 1.275 267 F CB 0.113 39.113 39.000 -0.001 0.000 1.008 267 F HN 0.143 nan 8.300 nan 0.000 0.480 268 T N -2.589 112.048 114.554 0.137 0.000 2.857 268 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 268 T C 1.683 176.369 174.700 -0.023 0.000 1.048 268 T CA 1.350 63.489 62.100 0.065 0.000 1.139 268 T CB -0.622 68.301 68.868 0.091 0.000 0.874 268 T HN 0.354 nan 8.240 nan 0.000 0.455 269 E N 1.293 121.485 120.200 -0.013 0.000 2.085 269 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 269 E C 2.228 178.783 176.600 -0.076 0.000 0.994 269 E CA 1.133 57.512 56.400 -0.035 0.000 0.801 269 E CB -0.438 29.252 29.700 -0.016 0.000 0.743 269 E HN 0.481 nan 8.360 nan 0.000 0.453 270 L N 0.870 122.023 121.223 -0.117 0.000 2.083 270 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 270 L C 2.835 179.586 176.870 -0.198 0.000 1.083 270 L CA 1.203 55.938 54.840 -0.174 0.000 0.752 270 L CB -0.360 41.546 42.059 -0.256 0.000 0.899 270 L HN 0.208 nan 8.230 nan 0.000 0.433 271 Q N 0.341 120.010 119.800 -0.220 0.000 2.050 271 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 271 Q C 2.159 178.082 176.000 -0.128 0.000 0.980 271 Q CA 1.482 57.182 55.803 -0.173 0.000 0.840 271 Q CB 0.148 28.812 28.738 -0.124 0.000 0.898 271 Q HN 0.415 nan 8.270 nan 0.000 0.424 272 K N 0.152 120.491 120.400 -0.103 0.000 1.965 272 K HA -0.179 4.140 4.320 -0.000 0.000 0.218 272 K C 2.171 178.723 176.600 -0.080 0.000 1.048 272 K CA 1.223 57.460 56.287 -0.083 0.000 0.960 272 K CB -0.470 31.992 32.500 -0.064 0.000 0.732 272 K HN 0.274 nan 8.250 nan 0.000 0.444 273 A N 1.064 123.836 122.820 -0.079 0.000 1.929 273 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 273 A C 2.403 179.941 177.584 -0.076 0.000 1.211 273 A CA 2.371 54.362 52.037 -0.077 0.000 0.657 273 A CB -1.025 17.925 19.000 -0.083 0.000 0.827 273 A HN 0.182 nan 8.150 nan 0.000 0.462 274 V N -1.368 118.495 119.914 -0.084 0.000 2.488 274 V HA 0.297 4.417 4.120 -0.000 0.000 0.246 274 V C 1.464 177.520 176.094 -0.064 0.000 1.046 274 V CA 1.221 63.478 62.300 -0.072 0.000 1.053 274 V CB -1.423 30.352 31.823 -0.079 0.000 0.679 274 V HN 1.544 nan 8.190 nan 0.000 0.458 275 G N -0.040 108.715 108.800 -0.074 0.000 2.712 275 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 275 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 275 G C -1.522 173.334 174.900 -0.072 0.000 1.321 275 G CA -0.211 44.848 45.100 -0.069 0.000 0.813 275 G HN 0.179 nan 8.290 nan 0.000 0.599 276 P HA -0.117 nan 4.420 nan 0.000 0.218 276 P C 1.352 178.617 177.300 -0.058 0.000 1.146 276 P CA 1.512 64.562 63.100 -0.084 0.000 0.813 276 P CB 0.217 31.870 31.700 -0.078 0.000 0.778 277 E N 0.083 120.258 120.200 -0.042 0.000 2.015 277 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 277 E C 2.188 178.779 176.600 -0.015 0.000 0.991 277 E CA 0.929 57.313 56.400 -0.026 0.000 0.802 277 E CB -0.711 28.977 29.700 -0.021 0.000 0.759 277 E HN 0.283 nan 8.360 nan 0.000 0.447 278 I N 0.681 121.241 120.570 -0.017 0.000 2.394 278 I HA -0.203 3.966 4.170 -0.000 0.000 0.251 278 I C 2.298 178.419 176.117 0.006 0.000 1.136 278 I CA 0.971 62.268 61.300 -0.004 0.000 1.425 278 I CB -0.370 37.624 38.000 -0.011 0.000 1.079 278 I HN 0.032 nan 8.210 nan 0.000 0.425 279 T N 0.788 115.334 114.554 -0.013 0.000 2.635 279 T HA -0.270 4.080 4.350 -0.000 0.000 0.267 279 T C 1.970 176.709 174.700 0.065 0.000 1.040 279 T CA 1.620 63.725 62.100 0.009 0.000 1.156 279 T CB -0.209 68.615 68.868 -0.073 0.000 0.863 279 T HN 0.307 nan 8.240 nan 0.000 0.430 280 K N -0.040 120.374 120.400 0.023 0.000 2.009 280 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 280 K C 2.693 179.333 176.600 0.068 0.000 1.049 280 K CA 1.883 58.195 56.287 0.042 0.000 0.929 280 K CB -0.439 32.066 32.500 0.009 0.000 0.714 280 K HN 0.324 nan 8.250 nan 0.000 0.440 281 T N 0.056 114.639 114.554 0.049 0.000 2.770 281 T HA -0.096 4.253 4.350 -0.000 0.000 0.263 281 T C 1.328 176.071 174.700 0.071 0.000 1.039 281 T CA 1.626 63.757 62.100 0.052 0.000 1.142 281 T CB -0.062 68.826 68.868 0.034 0.000 0.868 281 T HN 0.222 nan 8.240 nan 0.000 0.435 282 D N 0.223 120.668 120.400 0.075 0.000 2.338 282 D HA 0.205 4.844 4.640 -0.000 0.000 0.224 282 D C 2.080 178.464 176.300 0.139 0.000 0.967 282 D CA 0.487 54.540 54.000 0.089 0.000 0.896 282 D CB -0.044 40.794 40.800 0.063 0.000 1.028 282 D HN 0.364 nan 8.370 nan 0.000 0.493 283 L N 0.788 122.111 121.223 0.166 0.000 2.492 283 L HA 0.020 4.360 4.340 -0.000 0.000 0.223 283 L C 2.197 179.315 176.870 0.414 0.000 1.132 283 L CA 0.121 55.123 54.840 0.271 0.000 0.850 283 L CB 0.159 42.311 42.059 0.154 0.000 0.966 283 L HN -0.101 nan 8.230 nan 0.000 0.454 284 V N 0.647 120.771 119.914 0.349 0.000 2.283 284 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 284 V C -0.133 176.105 176.094 0.241 0.000 1.039 284 V CA 1.695 64.207 62.300 0.354 0.000 1.016 284 V CB -1.441 30.553 31.823 0.284 0.000 0.650 284 V HN 0.320 nan 8.190 nan 0.000 0.449 285 P HA -0.137 nan 4.420 nan 0.000 0.216 285 P C 1.735 179.100 177.300 0.107 0.000 1.153 285 P CA 2.021 65.191 63.100 0.117 0.000 0.848 285 P CB -0.198 31.558 31.700 0.092 0.000 0.787 286 A N -0.775 122.138 122.820 0.154 0.000 1.903 286 A HA -0.261 4.058 4.320 -0.000 0.000 0.219 286 A C 2.166 179.792 177.584 0.070 0.000 1.191 286 A CA 1.860 53.989 52.037 0.154 0.000 0.638 286 A CB -1.927 17.236 19.000 0.272 0.000 0.823 286 A HN 0.137 nan 8.150 nan 0.000 0.451 287 F N 0.716 120.579 119.950 -0.144 0.000 2.134 287 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 287 F C 2.552 178.163 175.800 -0.314 0.000 1.097 287 F CA 2.047 59.746 58.000 -0.501 0.000 1.264 287 F CB -0.625 37.955 39.000 -0.701 0.000 1.001 287 F HN 0.367 nan 8.300 nan 0.000 0.479 288 Q N -0.067 119.645 119.800 -0.146 0.000 2.061 288 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 288 Q C 1.885 177.767 176.000 -0.196 0.000 0.984 288 Q CA 1.759 57.454 55.803 -0.181 0.000 0.846 288 Q CB -0.465 28.248 28.738 -0.041 0.000 0.902 288 Q HN 0.430 nan 8.270 nan 0.000 0.421 289 N N 0.579 119.207 118.700 -0.121 0.000 2.223 289 N HA -0.118 4.621 4.740 -0.000 0.000 0.185 289 N C 1.738 177.164 175.510 -0.140 0.000 1.016 289 N CA 0.973 53.965 53.050 -0.096 0.000 0.863 289 N CB -0.163 38.302 38.487 -0.037 0.000 0.983 289 N HN 0.254 nan 8.380 nan 0.000 0.429 290 L N 0.106 121.194 121.223 -0.225 0.000 2.179 290 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 290 L C 2.123 178.803 176.870 -0.317 0.000 1.096 290 L CA 0.538 55.226 54.840 -0.253 0.000 0.779 290 L CB -0.202 41.660 42.059 -0.329 0.000 0.922 290 L HN 0.088 nan 8.230 nan 0.000 0.443 291 M N -0.686 118.639 119.600 -0.458 0.000 2.557 291 M HA -0.120 4.360 4.480 -0.000 0.000 0.259 291 M C 1.180 177.341 176.300 -0.232 0.000 1.086 291 M CA 1.372 56.429 55.300 -0.404 0.000 1.096 291 M CB 0.034 32.321 32.600 -0.522 0.000 1.424 291 M HN 0.086 nan 8.290 nan 0.000 0.488 292 K N -0.345 119.945 120.400 -0.184 0.000 2.414 292 K HA 0.125 4.445 4.320 -0.000 0.000 0.204 292 K C -0.447 176.104 176.600 -0.083 0.000 1.026 292 K CA -0.202 56.016 56.287 -0.115 0.000 1.108 292 K CB 0.252 32.695 32.500 -0.094 0.000 0.855 292 K HN 0.138 nan 8.250 nan 0.000 0.517 293 D N 0.290 120.640 120.400 -0.083 0.000 2.449 293 D HA -0.098 4.542 4.640 -0.000 0.000 0.236 293 D C 1.430 177.709 176.300 -0.036 0.000 1.149 293 D CA -0.006 53.969 54.000 -0.042 0.000 0.878 293 D CB 0.794 41.583 40.800 -0.019 0.000 1.198 293 D HN 0.318 nan 8.370 nan 0.000 0.446 294 C N 1.740 121.028 119.300 -0.020 0.000 2.432 294 C HA 0.039 4.499 4.460 -0.000 0.000 0.282 294 C C 0.982 175.941 174.990 -0.051 0.000 1.388 294 C CA -0.157 58.843 59.018 -0.029 0.000 1.777 294 C CB -0.949 26.782 27.740 -0.015 0.000 1.882 294 C HN 0.560 nan 8.230 nan 0.000 0.520 295 E N 0.811 120.985 120.200 -0.043 0.000 2.146 295 E HA 0.584 4.934 4.350 -0.000 0.000 0.282 295 E C 0.832 177.380 176.600 -0.087 0.000 0.989 295 E CA 0.208 56.545 56.400 -0.105 0.000 0.799 295 E CB 1.357 30.995 29.700 -0.104 0.000 1.088 295 E HN 0.332 nan 8.360 nan 0.000 0.397 296 A N 5.251 127.998 122.820 -0.120 0.000 1.902 296 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 296 A C 1.659 179.220 177.584 -0.038 0.000 1.181 296 A CA 1.506 53.497 52.037 -0.077 0.000 0.623 296 A CB -0.472 18.481 19.000 -0.079 0.000 0.818 296 A HN 0.782 nan 8.150 nan 0.000 0.443 297 E N -0.158 119.998 120.200 -0.073 0.000 2.118 297 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 297 E C 2.065 178.802 176.600 0.229 0.000 0.992 297 E CA 1.473 57.898 56.400 0.043 0.000 0.804 297 E CB -0.339 29.323 29.700 -0.064 0.000 0.741 297 E HN 0.485 nan 8.360 nan 0.000 0.458 298 V N 1.326 121.359 119.914 0.198 0.000 2.270 298 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 298 V C 2.339 178.466 176.094 0.055 0.000 1.043 298 V CA 1.722 64.144 62.300 0.203 0.000 1.014 298 V CB -0.550 31.377 31.823 0.173 0.000 0.645 298 V HN 0.194 nan 8.190 nan 0.000 0.447 299 R N 0.317 120.815 120.500 -0.003 0.000 2.091 299 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 299 R C 2.475 178.744 176.300 -0.052 0.000 1.136 299 R CA 1.596 57.655 56.100 -0.067 0.000 0.959 299 R CB -0.748 29.509 30.300 -0.072 0.000 0.856 299 R HN 0.549 nan 8.270 nan 0.000 0.437 300 A N 1.497 124.321 122.820 0.008 0.000 1.865 300 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 300 A C 2.451 180.085 177.584 0.083 0.000 1.191 300 A CA 1.865 53.918 52.037 0.026 0.000 0.623 300 A CB -0.806 18.250 19.000 0.093 0.000 0.826 300 A HN 0.412 nan 8.150 nan 0.000 0.444 301 A N -0.161 122.753 122.820 0.157 0.000 1.873 301 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 301 A C 2.549 180.181 177.584 0.081 0.000 1.193 301 A CA 2.674 54.796 52.037 0.143 0.000 0.629 301 A CB -1.190 17.784 19.000 -0.042 0.000 0.826 301 A HN 1.207 nan 8.150 nan 0.000 0.447 302 A N -0.958 121.849 122.820 -0.021 0.000 1.933 302 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 302 A C 2.432 180.007 177.584 -0.014 0.000 1.175 302 A CA 2.010 53.998 52.037 -0.082 0.000 0.628 302 A CB -0.865 17.928 19.000 -0.345 0.000 0.814 302 A HN 0.460 nan 8.150 nan 0.000 0.444 303 S N -0.897 114.764 115.700 -0.066 0.000 2.370 303 S HA -0.211 4.258 4.470 -0.000 0.000 0.226 303 S C 1.715 176.326 174.600 0.018 0.000 1.033 303 S CA 1.690 59.853 58.200 -0.061 0.000 1.011 303 S CB -0.569 62.552 63.200 -0.132 0.000 0.852 303 S HN 0.802 nan 8.310 nan 0.000 0.457 304 H N 0.758 119.866 119.070 0.062 0.000 2.492 304 H HA -0.002 4.554 4.556 -0.000 0.000 0.296 304 H C 1.514 176.905 175.328 0.106 0.000 1.095 304 H CA 1.023 57.115 56.048 0.074 0.000 1.281 304 H CB 0.233 30.032 29.762 0.062 0.000 1.374 304 H HN 0.061 nan 8.280 nan 0.000 0.545 305 K N 0.098 120.656 120.400 0.264 0.000 2.374 305 K HA 0.081 4.401 4.320 -0.000 0.000 0.196 305 K C 1.732 178.497 176.600 0.275 0.000 1.023 305 K CA 0.066 56.504 56.287 0.251 0.000 1.103 305 K CB 0.473 33.123 32.500 0.250 0.000 0.848 305 K HN 0.159 nan 8.250 nan 0.000 0.528 306 V N 2.102 122.202 119.914 0.310 0.000 2.332 306 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 306 V C 2.446 178.691 176.094 0.251 0.000 1.055 306 V CA 2.400 64.907 62.300 0.344 0.000 1.038 306 V CB -0.326 31.645 31.823 0.246 0.000 0.651 306 V HN 0.377 nan 8.190 nan 0.000 0.450 307 K N -0.001 120.507 120.400 0.181 0.000 2.116 307 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 307 K C 1.894 178.563 176.600 0.115 0.000 1.052 307 K CA 1.491 57.861 56.287 0.137 0.000 0.952 307 K CB -0.413 32.150 32.500 0.106 0.000 0.729 307 K HN 0.362 nan 8.250 nan 0.000 0.446 308 E N 0.178 120.451 120.200 0.122 0.000 2.038 308 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 308 E C 1.839 178.488 176.600 0.082 0.000 1.000 308 E CA 1.507 57.962 56.400 0.092 0.000 0.803 308 E CB -0.386 29.378 29.700 0.107 0.000 0.750 308 E HN 0.368 nan 8.360 nan 0.000 0.448 309 F N 1.564 121.483 119.950 -0.051 0.000 2.043 309 F HA -0.294 4.233 4.527 -0.000 0.000 0.297 309 F C 2.598 178.352 175.800 -0.077 0.000 1.121 309 F CA 1.614 59.538 58.000 -0.128 0.000 1.199 309 F CB -0.636 38.143 39.000 -0.368 0.000 0.968 309 F HN 0.045 nan 8.300 nan 0.000 0.478 310 C N 0.548 119.877 119.300 0.048 0.000 2.401 310 C HA -0.233 4.227 4.460 -0.000 0.000 0.276 310 C C 2.728 177.672 174.990 -0.077 0.000 1.233 310 C CA 1.475 60.482 59.018 -0.018 0.000 1.753 310 C CB -1.523 26.276 27.740 0.099 0.000 2.029 310 C HN 0.665 nan 8.230 nan 0.000 0.478 311 E N 0.736 120.912 120.200 -0.041 0.000 2.409 311 E HA -0.149 4.200 4.350 -0.000 0.000 0.198 311 E C 0.900 177.450 176.600 -0.084 0.000 1.024 311 E CA 1.079 57.455 56.400 -0.041 0.000 0.861 311 E CB -0.162 29.535 29.700 -0.006 0.000 0.788 311 E HN 0.699 nan 8.360 nan 0.000 0.521 312 N N -0.333 118.276 118.700 -0.151 0.000 2.184 312 N HA 0.208 4.948 4.740 -0.000 0.000 0.206 312 N C -0.581 174.785 175.510 -0.240 0.000 1.151 312 N CA -0.226 52.720 53.050 -0.174 0.000 0.878 312 N CB 0.645 39.032 38.487 -0.166 0.000 1.014 312 N HN 0.031 nan 8.380 nan 0.000 0.512 313 L N 1.430 122.481 121.223 -0.286 0.000 2.456 313 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 313 L C 0.878 177.656 176.870 -0.152 0.000 1.189 313 L CA -0.398 54.281 54.840 -0.268 0.000 0.846 313 L CB 0.376 42.284 42.059 -0.252 0.000 1.111 313 L HN 0.226 nan 8.230 nan 0.000 0.475 314 S N 2.094 117.718 115.700 -0.126 0.000 2.554 314 S HA -0.000 4.469 4.470 -0.000 0.000 0.290 314 S C 1.227 175.789 174.600 -0.063 0.000 1.309 314 S CA -0.113 58.037 58.200 -0.082 0.000 1.047 314 S CB 1.119 64.279 63.200 -0.066 0.000 0.828 314 S HN 0.729 nan 8.310 nan 0.000 0.509 315 A N 2.604 125.395 122.820 -0.048 0.000 1.978 315 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 315 A C 1.665 179.232 177.584 -0.028 0.000 1.170 315 A CA 1.942 53.957 52.037 -0.036 0.000 0.636 315 A CB -1.245 17.738 19.000 -0.029 0.000 0.810 315 A HN 1.047 nan 8.150 nan 0.000 0.448 316 D N -0.519 119.865 120.400 -0.027 0.000 2.107 316 D HA -0.150 4.489 4.640 -0.000 0.000 0.204 316 D C 1.902 178.192 176.300 -0.017 0.000 0.978 316 D CA 1.299 55.287 54.000 -0.019 0.000 0.852 316 D CB -1.092 39.699 40.800 -0.016 0.000 1.008 316 D HN 0.547 nan 8.370 nan 0.000 0.458 317 C N -0.542 118.747 119.300 -0.019 0.000 2.500 317 C HA 0.353 4.813 4.460 -0.000 0.000 0.273 317 C C 2.498 177.480 174.990 -0.014 0.000 1.428 317 C CA -0.397 58.614 59.018 -0.012 0.000 1.766 317 C CB -1.412 26.323 27.740 -0.008 0.000 1.817 317 C HN 0.164 nan 8.230 nan 0.000 0.543 318 R N 1.402 121.886 120.500 -0.026 0.000 2.224 318 R HA -0.219 4.121 4.340 -0.000 0.000 0.255 318 R C 2.229 178.523 176.300 -0.010 0.000 1.130 318 R CA 2.701 58.784 56.100 -0.028 0.000 0.957 318 R CB -0.383 29.899 30.300 -0.030 0.000 0.907 318 R HN 0.593 nan 8.270 nan 0.000 0.446 319 E N -0.189 120.007 120.200 -0.006 0.000 2.031 319 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 319 E C 1.703 178.303 176.600 -0.001 0.000 0.994 319 E CA 1.279 57.678 56.400 -0.002 0.000 0.800 319 E CB -0.789 28.910 29.700 -0.001 0.000 0.752 319 E HN 0.538 nan 8.360 nan 0.000 0.447 320 N N 1.112 119.813 118.700 0.001 0.000 2.036 320 N HA -0.177 4.563 4.740 -0.000 0.000 0.195 320 N C 2.071 177.590 175.510 0.014 0.000 1.037 320 N CA 2.241 55.294 53.050 0.005 0.000 0.855 320 N CB -0.185 38.307 38.487 0.008 0.000 1.033 320 N HN 0.112 nan 8.380 nan 0.000 0.423 321 V N 1.199 121.128 119.914 0.025 0.000 2.307 321 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 321 V C 2.384 178.517 176.094 0.065 0.000 1.045 321 V CA 1.315 63.647 62.300 0.053 0.000 1.024 321 V CB -0.433 31.429 31.823 0.066 0.000 0.651 321 V HN 0.307 nan 8.190 nan 0.000 0.449 322 I N -0.321 120.280 120.570 0.051 0.000 2.179 322 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 322 I C 2.643 178.769 176.117 0.015 0.000 1.088 322 I CA 1.831 63.164 61.300 0.056 0.000 1.357 322 I CB -0.411 37.614 38.000 0.041 0.000 1.051 322 I HN 0.296 nan 8.210 nan 0.000 0.409 323 M N -0.822 118.768 119.600 -0.017 0.000 2.394 323 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 323 M C 2.181 178.444 176.300 -0.062 0.000 1.073 323 M CA 1.504 56.761 55.300 -0.072 0.000 1.111 323 M CB -1.169 31.383 32.600 -0.080 0.000 1.401 323 M HN 0.203 nan 8.290 nan 0.000 0.448 324 T N -0.947 113.597 114.554 -0.018 0.000 2.999 324 T HA 0.068 4.418 4.350 -0.000 0.000 0.247 324 T C 1.707 176.414 174.700 0.011 0.000 1.012 324 T CA 0.436 62.531 62.100 -0.008 0.000 1.048 324 T CB 0.518 69.387 68.868 0.002 0.000 1.020 324 T HN 0.218 nan 8.240 nan 0.000 0.478 325 Q N 0.151 119.973 119.800 0.036 0.000 2.387 325 Q HA 0.338 4.677 4.340 -0.000 0.000 0.208 325 Q C 2.105 178.143 176.000 0.063 0.000 0.935 325 Q CA 0.652 56.489 55.803 0.058 0.000 0.891 325 Q CB 0.347 29.144 28.738 0.099 0.000 1.007 325 Q HN 0.477 nan 8.270 nan 0.000 0.548 326 I N 0.521 121.143 120.570 0.087 0.000 2.556 326 I HA -0.109 4.060 4.170 -0.000 0.000 0.251 326 I C 2.309 178.455 176.117 0.049 0.000 1.105 326 I CA 0.193 61.558 61.300 0.108 0.000 1.436 326 I CB -0.097 38.029 38.000 0.209 0.000 1.139 326 I HN 0.122 nan 8.210 nan 0.000 0.438 327 L N 2.280 123.516 121.223 0.022 0.000 2.021 327 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 327 L C -0.350 176.507 176.870 -0.022 0.000 1.074 327 L CA 2.748 57.579 54.840 -0.016 0.000 0.760 327 L CB -1.953 40.058 42.059 -0.081 0.000 0.889 327 L HN 0.142 nan 8.230 nan 0.000 0.433 328 P HA -0.044 nan 4.420 nan 0.000 0.223 328 P C 1.977 179.260 177.300 -0.028 0.000 1.151 328 P CA 0.889 63.975 63.100 -0.023 0.000 0.787 328 P CB -0.102 31.586 31.700 -0.019 0.000 0.788 329 C N -0.973 118.306 119.300 -0.034 0.000 2.446 329 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 329 C C 2.621 177.575 174.990 -0.060 0.000 1.275 329 C CA 0.476 59.456 59.018 -0.063 0.000 1.727 329 C CB -1.574 26.107 27.740 -0.097 0.000 2.010 329 C HN 0.165 nan 8.230 nan 0.000 0.486 330 I N 0.971 121.520 120.570 -0.035 0.000 2.163 330 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 330 I C 2.521 178.626 176.117 -0.020 0.000 1.085 330 I CA 1.683 62.972 61.300 -0.019 0.000 1.347 330 I CB -0.479 37.530 38.000 0.014 0.000 1.044 330 I HN 0.380 nan 8.210 nan 0.000 0.408 331 K N 0.196 120.585 120.400 -0.019 0.000 2.063 331 K HA -0.256 4.064 4.320 -0.000 0.000 0.208 331 K C 2.093 178.680 176.600 -0.023 0.000 1.048 331 K CA 1.645 57.921 56.287 -0.018 0.000 0.928 331 K CB -0.169 32.324 32.500 -0.013 0.000 0.713 331 K HN 0.161 nan 8.250 nan 0.000 0.442 332 E N 1.371 121.552 120.200 -0.031 0.000 2.051 332 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 332 E C 1.799 178.375 176.600 -0.040 0.000 0.991 332 E CA 1.086 57.464 56.400 -0.036 0.000 0.799 332 E CB -0.196 29.477 29.700 -0.044 0.000 0.748 332 E HN 0.184 nan 8.360 nan 0.000 0.449 333 L N -0.391 120.802 121.223 -0.049 0.000 2.131 333 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 333 L C 2.303 179.150 176.870 -0.037 0.000 1.092 333 L CA 0.587 55.395 54.840 -0.053 0.000 0.759 333 L CB -0.232 41.785 42.059 -0.069 0.000 0.903 333 L HN 0.104 nan 8.230 nan 0.000 0.435 334 V N -0.539 119.361 119.914 -0.025 0.000 2.469 334 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 334 V C 1.859 177.943 176.094 -0.017 0.000 1.064 334 V CA 2.012 64.305 62.300 -0.013 0.000 1.066 334 V CB -0.407 31.414 31.823 -0.003 0.000 0.667 334 V HN 0.626 nan 8.190 nan 0.000 0.461 335 S N -1.662 114.025 115.700 -0.021 0.000 2.588 335 S HA 0.170 4.640 4.470 -0.000 0.000 0.245 335 S C 0.269 174.854 174.600 -0.024 0.000 1.021 335 S CA -0.539 57.649 58.200 -0.020 0.000 1.006 335 S CB -0.263 62.927 63.200 -0.017 0.000 0.830 335 S HN 0.571 nan 8.310 nan 0.000 0.468 336 D N 1.541 121.923 120.400 -0.030 0.000 2.423 336 D HA 0.222 4.862 4.640 -0.000 0.000 0.238 336 D C 1.321 177.605 176.300 -0.027 0.000 1.142 336 D CA 0.441 54.422 54.000 -0.032 0.000 0.884 336 D CB 1.339 42.116 40.800 -0.038 0.000 1.199 336 D HN 0.283 nan 8.370 nan 0.000 0.438 337 A N 3.971 126.776 122.820 -0.025 0.000 1.969 337 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 337 A C 1.185 178.759 177.584 -0.016 0.000 1.169 337 A CA 0.809 52.833 52.037 -0.021 0.000 0.635 337 A CB -0.310 18.677 19.000 -0.022 0.000 0.810 337 A HN 0.718 nan 8.150 nan 0.000 0.445 338 N N -0.554 118.139 118.700 -0.012 0.000 2.422 338 N HA 0.275 5.015 4.740 -0.000 0.000 0.264 338 N C 0.686 176.201 175.510 0.008 0.000 1.063 338 N CA -0.209 52.848 53.050 0.012 0.000 0.959 338 N CB 0.758 39.255 38.487 0.016 0.000 1.087 338 N HN 0.221 nan 8.380 nan 0.000 0.483 339 Q N 1.308 121.108 119.800 -0.000 0.000 2.133 339 Q HA -0.234 4.105 4.340 -0.000 0.000 0.208 339 Q C 1.041 176.948 176.000 -0.154 0.000 0.991 339 Q CA 1.803 57.541 55.803 -0.107 0.000 0.867 339 Q CB -0.158 28.456 28.738 -0.207 0.000 0.911 339 Q HN 0.706 nan 8.270 nan 0.000 0.417 340 H N -1.169 117.882 119.070 -0.030 0.000 2.436 340 H HA -0.007 4.549 4.556 -0.000 0.000 0.294 340 H C 2.184 177.485 175.328 -0.046 0.000 1.048 340 H CA 1.458 57.492 56.048 -0.024 0.000 1.353 340 H CB 0.006 29.765 29.762 -0.006 0.000 1.414 340 H HN 0.314 nan 8.280 nan 0.000 0.536 341 V N 0.198 120.144 119.914 0.054 0.000 2.453 341 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 341 V C 2.040 178.097 176.094 -0.060 0.000 1.048 341 V CA 1.321 63.610 62.300 -0.020 0.000 1.049 341 V CB -0.278 31.529 31.823 -0.027 0.000 0.672 341 V HN 0.106 nan 8.190 nan 0.000 0.457 342 K N 0.354 120.725 120.400 -0.049 0.000 2.147 342 K HA -0.096 4.223 4.320 -0.000 0.000 0.205 342 K C 2.509 179.066 176.600 -0.071 0.000 1.049 342 K CA 1.533 57.786 56.287 -0.056 0.000 0.936 342 K CB -0.266 32.203 32.500 -0.051 0.000 0.722 342 K HN 0.553 nan 8.250 nan 0.000 0.446 343 S N 0.318 115.968 115.700 -0.084 0.000 2.371 343 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 343 S C 1.954 176.492 174.600 -0.103 0.000 1.029 343 S CA 1.058 59.205 58.200 -0.089 0.000 0.978 343 S CB -0.050 63.090 63.200 -0.099 0.000 0.833 343 S HN 0.404 nan 8.310 nan 0.000 0.466 344 A N 1.337 124.047 122.820 -0.183 0.000 1.877 344 A HA -0.045 4.274 4.320 -0.000 0.000 0.216 344 A C 2.096 179.517 177.584 -0.271 0.000 1.186 344 A CA 1.607 53.376 52.037 -0.447 0.000 0.620 344 A CB -0.945 17.585 19.000 -0.783 0.000 0.822 344 A HN 0.501 nan 8.150 nan 0.000 0.443 345 L N -0.020 121.105 121.223 -0.164 0.000 2.012 345 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 345 L C 2.687 179.540 176.870 -0.028 0.000 1.073 345 L CA 2.367 57.164 54.840 -0.071 0.000 0.748 345 L CB -0.870 41.163 42.059 -0.044 0.000 0.891 345 L HN 0.362 nan 8.230 nan 0.000 0.431 346 A N -1.159 121.641 122.820 -0.034 0.000 2.032 346 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 346 A C 2.309 179.872 177.584 -0.035 0.000 1.165 346 A CA 1.899 53.924 52.037 -0.021 0.000 0.645 346 A CB -1.016 17.963 19.000 -0.034 0.000 0.807 346 A HN 0.686 nan 8.150 nan 0.000 0.453 347 S N -1.277 114.405 115.700 -0.031 0.000 2.575 347 S HA 0.213 4.683 4.470 -0.000 0.000 0.215 347 S C 0.962 175.569 174.600 0.012 0.000 0.966 347 S CA 0.713 58.907 58.200 -0.011 0.000 0.911 347 S CB -0.030 63.185 63.200 0.026 0.000 0.780 347 S HN 1.132 nan 8.310 nan 0.000 0.514 348 V N -3.091 116.834 119.914 0.017 0.000 3.309 348 V HA 0.440 4.560 4.120 -0.000 0.000 0.268 348 V C 1.531 177.660 176.094 0.057 0.000 1.631 348 V CA 0.005 62.332 62.300 0.045 0.000 1.018 348 V CB -0.781 31.092 31.823 0.082 0.000 0.841 348 V HN 0.350 nan 8.190 nan 0.000 0.418 349 I N 0.527 121.138 120.570 0.068 0.000 2.286 349 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 349 I C 2.416 178.646 176.117 0.188 0.000 1.115 349 I CA 2.104 63.496 61.300 0.153 0.000 1.392 349 I CB 0.169 38.300 38.000 0.218 0.000 1.065 349 I HN 0.286 nan 8.210 nan 0.000 0.418 350 M N 0.031 119.623 119.600 -0.014 0.000 2.296 350 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 350 M C 1.990 178.289 176.300 -0.002 0.000 1.064 350 M CA 1.429 56.620 55.300 -0.181 0.000 1.109 350 M CB -0.617 31.681 32.600 -0.504 0.000 1.396 350 M HN 0.397 nan 8.290 nan 0.000 0.430 351 G N -0.074 108.737 108.800 0.019 0.000 2.625 351 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.214 351 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.214 351 G C 1.225 176.171 174.900 0.076 0.000 1.132 351 G CA 0.255 45.379 45.100 0.040 0.000 0.782 351 G HN 0.232 nan 8.290 nan 0.000 0.538 352 L N 0.874 122.169 121.223 0.120 0.000 2.291 352 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 352 L C 2.861 179.807 176.870 0.127 0.000 1.120 352 L CA 0.980 55.897 54.840 0.128 0.000 0.799 352 L CB -0.619 41.534 42.059 0.156 0.000 0.925 352 L HN 0.140 nan 8.230 nan 0.000 0.446 353 S N 0.738 116.534 115.700 0.161 0.000 2.353 353 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 353 S C -0.527 174.129 174.600 0.094 0.000 1.035 353 S CA 1.689 59.981 58.200 0.154 0.000 1.025 353 S CB -1.284 62.029 63.200 0.188 0.000 0.902 353 S HN 0.382 nan 8.310 nan 0.000 0.440 354 P HA -0.011 nan 4.420 nan 0.000 0.228 354 P C 0.892 178.217 177.300 0.042 0.000 1.151 354 P CA 0.843 63.972 63.100 0.048 0.000 0.770 354 P CB -0.148 31.574 31.700 0.036 0.000 0.786 355 I N -1.059 119.541 120.570 0.049 0.000 2.731 355 I HA 0.003 4.172 4.170 -0.000 0.000 0.260 355 I C 2.299 178.439 176.117 0.038 0.000 1.138 355 I CA 0.747 62.070 61.300 0.038 0.000 1.461 355 I CB -1.038 36.986 38.000 0.039 0.000 1.128 355 I HN -0.044 nan 8.210 nan 0.000 0.438 356 L N 0.083 121.337 121.223 0.051 0.000 2.477 356 L HA 0.322 4.662 4.340 -0.000 0.000 0.220 356 L C 1.121 178.020 176.870 0.048 0.000 1.106 356 L CA 0.407 55.275 54.840 0.047 0.000 0.851 356 L CB -0.705 41.387 42.059 0.055 0.000 0.994 356 L HN 0.363 nan 8.230 nan 0.000 0.462 357 G N 0.966 109.796 108.800 0.050 0.000 2.829 357 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.628 357 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.628 357 G C 0.444 175.374 174.900 0.050 0.000 1.412 357 G CA 0.127 45.253 45.100 0.045 0.000 0.864 357 G HN 0.102 nan 8.290 nan 0.000 0.544 358 K N -0.531 119.894 120.400 0.042 0.000 2.015 358 K HA -0.196 4.123 4.320 -0.000 0.000 0.216 358 K C 1.998 178.620 176.600 0.037 0.000 1.052 358 K CA 2.479 58.790 56.287 0.040 0.000 0.937 358 K CB -0.276 32.242 32.500 0.030 0.000 0.719 358 K HN 0.544 nan 8.250 nan 0.000 0.446 359 D N -0.110 120.309 120.400 0.032 0.000 2.144 359 D HA -0.089 4.550 4.640 -0.000 0.000 0.200 359 D C 1.697 178.017 176.300 0.033 0.000 0.978 359 D CA 1.049 55.063 54.000 0.023 0.000 0.833 359 D CB -0.400 40.413 40.800 0.021 0.000 0.961 359 D HN 0.336 nan 8.370 nan 0.000 0.470 360 N N -0.410 118.332 118.700 0.069 0.000 2.142 360 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 360 N C 1.666 177.250 175.510 0.123 0.000 1.023 360 N CA 1.364 54.500 53.050 0.143 0.000 0.852 360 N CB 0.102 38.662 38.487 0.121 0.000 0.998 360 N HN 0.023 nan 8.380 nan 0.000 0.424 361 T N 1.281 115.876 114.554 0.070 0.000 2.652 361 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 361 T C 1.912 176.599 174.700 -0.021 0.000 1.039 361 T CA 0.924 63.048 62.100 0.040 0.000 1.153 361 T CB -0.288 68.635 68.868 0.092 0.000 0.863 361 T HN 0.192 nan 8.240 nan 0.000 0.428 362 I N 0.559 121.125 120.570 -0.008 0.000 2.361 362 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 362 I C 2.681 178.738 176.117 -0.099 0.000 1.133 362 I CA 1.353 62.632 61.300 -0.036 0.000 1.413 362 I CB -0.302 37.688 38.000 -0.016 0.000 1.073 362 I HN 0.343 nan 8.210 nan 0.000 0.424 363 E N -0.103 120.011 120.200 -0.145 0.000 2.051 363 E HA -0.165 4.185 4.350 -0.000 0.000 0.189 363 E C 1.856 178.194 176.600 -0.436 0.000 0.979 363 E CA 1.212 57.414 56.400 -0.329 0.000 0.803 363 E CB 0.175 29.601 29.700 -0.456 0.000 0.761 363 E HN 0.592 nan 8.360 nan 0.000 0.451 364 H N -1.291 117.722 119.070 -0.095 0.000 2.501 364 H HA 0.217 4.773 4.556 -0.000 0.000 0.281 364 H C 1.781 176.983 175.328 -0.211 0.000 0.988 364 H CA 0.105 56.083 56.048 -0.116 0.000 1.232 364 H CB 0.448 30.163 29.762 -0.079 0.000 1.455 364 H HN 0.015 nan 8.280 nan 0.000 0.501 365 L N 0.027 121.141 121.223 -0.182 0.000 2.179 365 L HA -0.066 4.273 4.340 -0.000 0.000 0.208 365 L C 1.794 178.060 176.870 -1.006 0.000 1.096 365 L CA 0.481 54.973 54.840 -0.581 0.000 0.779 365 L CB -0.056 41.689 42.059 -0.524 0.000 0.922 365 L HN 0.212 nan 8.230 nan 0.000 0.443 366 L N 0.480 121.374 121.223 -0.548 0.000 1.994 366 L HA -0.104 4.235 4.340 -0.000 0.000 0.208 366 L C -0.388 176.347 176.870 -0.225 0.000 1.071 366 L CA 2.084 56.710 54.840 -0.356 0.000 0.745 366 L CB -1.349 40.644 42.059 -0.109 0.000 0.892 366 L HN 0.074 nan 8.230 nan 0.000 0.431 367 P HA -0.189 nan 4.420 nan 0.000 0.216 367 P C 1.959 179.210 177.300 -0.080 0.000 1.150 367 P CA 1.457 64.502 63.100 -0.091 0.000 0.843 367 P CB -0.023 31.628 31.700 -0.081 0.000 0.787 368 L N -2.367 118.760 121.223 -0.160 0.000 1.976 368 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 368 L C 2.450 179.352 176.870 0.054 0.000 1.071 368 L CA 1.571 56.358 54.840 -0.088 0.000 0.746 368 L CB -1.323 40.654 42.059 -0.137 0.000 0.890 368 L HN -0.074 nan 8.230 nan 0.000 0.432 369 F N 0.434 120.385 119.950 0.003 0.000 2.085 369 F HA -0.296 4.231 4.527 -0.000 0.000 0.299 369 F C 2.493 178.289 175.800 -0.007 0.000 1.096 369 F CA 1.267 59.264 58.000 -0.005 0.000 1.227 369 F CB -1.458 37.540 39.000 -0.003 0.000 0.983 369 F HN -0.015 nan 8.300 nan 0.000 0.482 370 L N -0.498 120.830 121.223 0.174 0.000 2.079 370 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 370 L C 2.571 179.478 176.870 0.061 0.000 1.081 370 L CA 1.302 56.198 54.840 0.094 0.000 0.752 370 L CB -0.780 41.314 42.059 0.058 0.000 0.896 370 L HN 0.170 nan 8.230 nan 0.000 0.433 371 A N -1.207 121.643 122.820 0.049 0.000 2.014 371 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 371 A C 2.170 179.773 177.584 0.033 0.000 1.163 371 A CA 0.985 53.039 52.037 0.030 0.000 0.652 371 A CB -0.188 18.821 19.000 0.015 0.000 0.808 371 A HN 0.491 nan 8.150 nan 0.000 0.449 372 Q N -0.863 118.970 119.800 0.055 0.000 2.250 372 Q HA 0.062 4.402 4.340 -0.000 0.000 0.200 372 Q C 1.531 177.546 176.000 0.025 0.000 0.941 372 Q CA 0.367 56.194 55.803 0.041 0.000 0.872 372 Q CB -0.143 28.634 28.738 0.065 0.000 0.965 372 Q HN 0.420 nan 8.270 nan 0.000 0.480 373 L N 1.618 122.865 121.223 0.040 0.000 2.261 373 L HA -0.168 4.171 4.340 -0.000 0.000 0.216 373 L C 1.730 178.611 176.870 0.018 0.000 1.114 373 L CA 1.833 56.686 54.840 0.023 0.000 0.777 373 L CB -0.507 41.575 42.059 0.039 0.000 0.910 373 L HN 0.306 nan 8.230 nan 0.000 0.440 374 K N -1.594 118.818 120.400 0.020 0.000 2.455 374 K HA 0.127 4.447 4.320 -0.000 0.000 0.206 374 K C 0.411 177.015 176.600 0.006 0.000 1.027 374 K CA -0.388 55.908 56.287 0.015 0.000 1.113 374 K CB 0.349 32.860 32.500 0.019 0.000 0.850 374 K HN 0.006 nan 8.250 nan 0.000 0.503 375 D N 1.597 121.997 120.400 -0.000 0.000 2.400 375 D HA -0.057 4.583 4.640 -0.000 0.000 0.238 375 D C 0.213 176.504 176.300 -0.014 0.000 1.157 375 D CA 0.397 54.391 54.000 -0.010 0.000 0.889 375 D CB 1.229 42.018 40.800 -0.019 0.000 1.199 375 D HN 0.199 nan 8.370 nan 0.000 0.436 376 E N 0.748 120.938 120.200 -0.017 0.000 2.152 376 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 376 E C 0.451 177.035 176.600 -0.026 0.000 0.983 376 E CA 0.280 56.671 56.400 -0.016 0.000 0.818 376 E CB -0.002 29.690 29.700 -0.013 0.000 0.758 376 E HN 0.389 nan 8.360 nan 0.000 0.467 377 C N 2.554 121.830 119.300 -0.041 0.000 2.555 377 C HA 0.245 4.705 4.460 -0.000 0.000 0.385 377 C C -1.191 173.761 174.990 -0.063 0.000 1.296 377 C CA -1.928 57.054 59.018 -0.061 0.000 1.757 377 C CB 0.439 28.126 27.740 -0.087 0.000 2.445 377 C HN 0.264 nan 8.230 nan 0.000 0.571 378 P HA -0.160 nan 4.420 nan 0.000 0.218 378 P C 1.341 178.588 177.300 -0.087 0.000 1.148 378 P CA 1.590 64.648 63.100 -0.069 0.000 0.822 378 P CB 0.078 31.735 31.700 -0.072 0.000 0.784 379 E N -0.267 119.873 120.200 -0.099 0.000 2.106 379 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 379 E C 2.078 178.623 176.600 -0.091 0.000 0.984 379 E CA 0.836 57.174 56.400 -0.104 0.000 0.806 379 E CB -0.303 29.322 29.700 -0.125 0.000 0.750 379 E HN 0.067 nan 8.360 nan 0.000 0.458 380 V N 2.128 121.989 119.914 -0.088 0.000 2.237 380 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 380 V C 2.501 178.558 176.094 -0.061 0.000 1.046 380 V CA 2.407 64.665 62.300 -0.070 0.000 1.007 380 V CB -0.624 31.163 31.823 -0.059 0.000 0.638 380 V HN 0.344 nan 8.190 nan 0.000 0.445 381 R N 0.219 120.685 120.500 -0.058 0.000 2.148 381 R HA -0.077 4.262 4.340 -0.000 0.000 0.227 381 R C 2.231 178.486 176.300 -0.073 0.000 1.103 381 R CA 1.467 57.534 56.100 -0.054 0.000 0.983 381 R CB -0.646 29.631 30.300 -0.038 0.000 0.874 381 R HN 0.444 nan 8.270 nan 0.000 0.451 382 L N 1.493 122.665 121.223 -0.085 0.000 2.027 382 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 382 L C 1.393 178.206 176.870 -0.096 0.000 1.074 382 L CA 1.378 56.158 54.840 -0.101 0.000 0.745 382 L CB -0.250 41.740 42.059 -0.115 0.000 0.898 382 L HN 0.202 nan 8.230 nan 0.000 0.433 383 N N -0.426 118.225 118.700 -0.082 0.000 2.453 383 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 383 N C 1.469 176.927 175.510 -0.087 0.000 1.041 383 N CA 0.826 53.834 53.050 -0.071 0.000 0.900 383 N CB 0.058 38.514 38.487 -0.051 0.000 0.961 383 N HN 0.308 nan 8.380 nan 0.000 0.443 384 I N 0.272 120.783 120.570 -0.099 0.000 3.854 384 I HA 0.047 4.217 4.170 -0.000 0.000 0.312 384 I C 1.145 177.155 176.117 -0.179 0.000 1.273 384 I CA 0.276 61.499 61.300 -0.128 0.000 1.298 384 I CB 0.099 38.048 38.000 -0.085 0.000 1.071 384 I HN -0.093 nan 8.210 nan 0.000 0.428 385 I N 0.006 120.475 120.570 -0.167 0.000 2.286 385 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 385 I C 2.643 178.603 176.117 -0.262 0.000 1.104 385 I CA 0.880 62.043 61.300 -0.229 0.000 1.397 385 I CB -1.572 36.318 38.000 -0.184 0.000 1.072 385 I HN 0.115 nan 8.210 nan 0.000 0.417 386 S N 0.972 116.565 115.700 -0.178 0.000 2.408 386 S HA -0.309 4.161 4.470 -0.000 0.000 0.241 386 S C 1.452 175.966 174.600 -0.145 0.000 1.080 386 S CA 2.219 60.337 58.200 -0.137 0.000 1.109 386 S CB -0.506 62.639 63.200 -0.093 0.000 0.966 386 S HN 0.619 nan 8.310 nan 0.000 0.449 387 N N -0.380 118.215 118.700 -0.174 0.000 2.467 387 N HA 0.271 5.011 4.740 -0.000 0.000 0.278 387 N C 0.813 176.209 175.510 -0.190 0.000 1.306 387 N CA -0.115 52.849 53.050 -0.144 0.000 0.905 387 N CB 0.068 38.484 38.487 -0.118 0.000 1.236 387 N HN 0.331 nan 8.380 nan 0.000 0.509 388 L N -0.237 120.831 121.223 -0.258 0.000 2.156 388 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 388 L C 1.959 178.795 176.870 -0.056 0.000 1.095 388 L CA 0.995 55.681 54.840 -0.257 0.000 0.770 388 L CB -0.160 41.606 42.059 -0.487 0.000 0.914 388 L HN 0.283 nan 8.230 nan 0.000 0.439 389 D N -0.650 119.787 120.400 0.062 0.000 2.144 389 D HA -0.253 4.387 4.640 -0.000 0.000 0.199 389 D C 2.312 178.643 176.300 0.052 0.000 0.984 389 D CA 1.226 55.307 54.000 0.135 0.000 0.834 389 D CB -0.162 40.730 40.800 0.152 0.000 0.955 389 D HN 0.388 nan 8.370 nan 0.000 0.465 390 C N -0.556 118.752 119.300 0.013 0.000 2.403 390 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 390 C C 2.662 177.659 174.990 0.012 0.000 1.269 390 C CA 1.083 60.104 59.018 0.005 0.000 1.774 390 C CB -1.120 26.611 27.740 -0.014 0.000 1.993 390 C HN 0.234 nan 8.230 nan 0.000 0.496 391 V N 1.626 121.536 119.914 -0.007 0.000 2.488 391 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 391 V C 2.625 178.752 176.094 0.055 0.000 1.046 391 V CA 2.153 64.470 62.300 0.029 0.000 1.053 391 V CB -1.022 30.793 31.823 -0.014 0.000 0.679 391 V HN 0.711 nan 8.190 nan 0.000 0.458 392 N N 0.200 118.933 118.700 0.054 0.000 2.364 392 N HA -0.209 4.531 4.740 -0.000 0.000 0.183 392 N C 1.760 177.294 175.510 0.041 0.000 1.022 392 N CA 1.156 54.241 53.050 0.058 0.000 0.883 392 N CB 0.111 38.644 38.487 0.077 0.000 0.965 392 N HN 0.563 nan 8.380 nan 0.000 0.438 393 E N 0.227 120.449 120.200 0.037 0.000 2.158 393 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 393 E C 1.897 178.515 176.600 0.030 0.000 0.982 393 E CA 0.460 56.876 56.400 0.028 0.000 0.823 393 E CB 0.155 29.869 29.700 0.024 0.000 0.766 393 E HN 0.230 nan 8.360 nan 0.000 0.468 394 V N 1.765 121.704 119.914 0.041 0.000 2.300 394 V HA -0.006 4.113 4.120 -0.000 0.000 0.241 394 V C 1.377 177.498 176.094 0.045 0.000 1.034 394 V CA 0.752 63.079 62.300 0.046 0.000 1.021 394 V CB -0.023 31.837 31.823 0.061 0.000 0.662 394 V HN 0.156 nan 8.190 nan 0.000 0.458 395 I N -0.064 120.539 120.570 0.055 0.000 3.156 395 I HA 0.671 4.841 4.170 -0.000 0.000 0.306 395 I C 0.825 176.962 176.117 0.033 0.000 1.048 395 I CA -0.131 61.198 61.300 0.048 0.000 1.207 395 I CB 0.320 38.358 38.000 0.063 0.000 1.456 395 I HN 0.240 nan 8.210 nan 0.000 0.616 396 G N 1.159 109.972 108.800 0.023 0.000 2.569 396 G HA2 0.211 4.171 3.960 -0.000 0.000 0.249 396 G HA3 0.211 4.171 3.960 -0.000 0.000 0.249 396 G C 0.375 175.278 174.900 0.006 0.000 1.216 396 G CA -0.387 44.719 45.100 0.009 0.000 0.845 396 G HN 0.815 nan 8.290 nan 0.000 0.568 397 I N 0.431 120.994 120.570 -0.011 0.000 2.286 397 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 397 I C 2.626 178.708 176.117 -0.059 0.000 1.115 397 I CA 1.279 62.559 61.300 -0.033 0.000 1.392 397 I CB -0.225 37.742 38.000 -0.055 0.000 1.065 397 I HN 0.626 nan 8.210 nan 0.000 0.418 398 R N 0.119 120.588 120.500 -0.051 0.000 2.080 398 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 398 R C 2.366 178.652 176.300 -0.024 0.000 1.137 398 R CA 1.785 57.855 56.100 -0.050 0.000 0.943 398 R CB -0.514 29.769 30.300 -0.029 0.000 0.846 398 R HN 0.372 nan 8.270 nan 0.000 0.431 399 Q N 0.066 119.864 119.800 -0.004 0.000 2.084 399 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 399 Q C 1.960 177.976 176.000 0.027 0.000 0.978 399 Q CA 1.082 56.894 55.803 0.015 0.000 0.844 399 Q CB -0.433 28.318 28.738 0.022 0.000 0.898 399 Q HN 0.332 nan 8.270 nan 0.000 0.426 400 L N 1.019 122.258 121.223 0.028 0.000 1.971 400 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 400 L C 2.221 179.119 176.870 0.047 0.000 1.072 400 L CA 2.677 57.546 54.840 0.048 0.000 0.758 400 L CB -1.387 40.702 42.059 0.050 0.000 0.889 400 L HN 0.297 nan 8.230 nan 0.000 0.433 401 S N -1.749 113.956 115.700 0.010 0.000 2.507 401 S HA -0.199 4.271 4.470 -0.000 0.000 0.235 401 S C 1.782 176.422 174.600 0.066 0.000 0.988 401 S CA 1.018 59.232 58.200 0.023 0.000 0.944 401 S CB -0.156 62.982 63.200 -0.104 0.000 0.762 401 S HN 0.591 nan 8.310 nan 0.000 0.526 402 Q N 0.597 120.426 119.800 0.048 0.000 2.200 402 Q HA 0.120 4.460 4.340 -0.000 0.000 0.197 402 Q C 2.090 178.123 176.000 0.055 0.000 0.953 402 Q CA 1.116 56.951 55.803 0.054 0.000 0.851 402 Q CB 0.085 28.846 28.738 0.037 0.000 0.938 402 Q HN 0.618 nan 8.270 nan 0.000 0.488 403 S N 0.172 115.904 115.700 0.054 0.000 2.371 403 S HA 0.055 4.525 4.470 -0.000 0.000 0.221 403 S C 1.723 176.366 174.600 0.072 0.000 1.036 403 S CA 0.729 58.963 58.200 0.057 0.000 0.965 403 S CB 0.148 63.382 63.200 0.057 0.000 0.845 403 S HN 0.257 nan 8.310 nan 0.000 0.475 404 L N 0.583 121.856 121.223 0.084 0.000 2.500 404 L HA 0.281 4.621 4.340 -0.000 0.000 0.219 404 L C 2.065 178.994 176.870 0.098 0.000 1.057 404 L CA 0.066 54.961 54.840 0.091 0.000 0.854 404 L CB -0.269 41.848 42.059 0.097 0.000 1.078 404 L HN 0.224 nan 8.230 nan 0.000 0.480 405 L N 1.820 123.109 121.223 0.111 0.000 2.021 405 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 405 L C -0.320 176.623 176.870 0.121 0.000 1.074 405 L CA 2.496 57.418 54.840 0.138 0.000 0.760 405 L CB -1.419 40.738 42.059 0.164 0.000 0.889 405 L HN 0.157 nan 8.230 nan 0.000 0.433 406 P HA -0.150 nan 4.420 nan 0.000 0.216 406 P C 1.500 178.842 177.300 0.071 0.000 1.150 406 P CA 1.985 65.132 63.100 0.077 0.000 0.843 406 P CB -0.115 31.623 31.700 0.063 0.000 0.787 407 A N -1.193 121.670 122.820 0.071 0.000 2.015 407 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 407 A C 2.156 179.785 177.584 0.075 0.000 1.163 407 A CA 1.141 53.217 52.037 0.065 0.000 0.646 407 A CB -1.468 17.567 19.000 0.060 0.000 0.806 407 A HN 0.131 nan 8.150 nan 0.000 0.448 408 I N -0.648 119.979 120.570 0.096 0.000 2.286 408 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 408 I C 2.245 178.449 176.117 0.145 0.000 1.104 408 I CA 0.798 62.171 61.300 0.122 0.000 1.397 408 I CB -0.244 37.856 38.000 0.167 0.000 1.072 408 I HN 0.119 nan 8.210 nan 0.000 0.417 409 V N 0.779 120.769 119.914 0.126 0.000 2.392 409 V HA -0.314 3.805 4.120 -0.000 0.000 0.249 409 V C 2.448 178.597 176.094 0.091 0.000 1.059 409 V CA 2.106 64.467 62.300 0.102 0.000 1.051 409 V CB -0.668 31.192 31.823 0.061 0.000 0.658 409 V HN 0.484 nan 8.190 nan 0.000 0.455 410 E N -0.097 120.151 120.200 0.081 0.000 2.106 410 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 410 E C 2.075 178.729 176.600 0.090 0.000 0.984 410 E CA 0.985 57.427 56.400 0.071 0.000 0.806 410 E CB -0.071 29.663 29.700 0.056 0.000 0.750 410 E HN 0.570 nan 8.360 nan 0.000 0.458 411 L N 0.073 121.356 121.223 0.101 0.000 2.478 411 L HA 0.045 4.385 4.340 -0.000 0.000 0.223 411 L C 2.260 179.228 176.870 0.163 0.000 1.140 411 L CA 0.458 55.360 54.840 0.103 0.000 0.842 411 L CB -0.052 42.050 42.059 0.072 0.000 0.953 411 L HN 0.171 nan 8.230 nan 0.000 0.452 412 A N 0.210 123.171 122.820 0.235 0.000 2.067 412 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 412 A C 1.910 179.735 177.584 0.402 0.000 1.158 412 A CA 1.749 54.044 52.037 0.430 0.000 0.661 412 A CB -0.458 18.808 19.000 0.443 0.000 0.801 412 A HN 0.441 nan 8.150 nan 0.000 0.452 413 E N 0.177 120.510 120.200 0.223 0.000 2.609 413 E HA 0.346 4.696 4.350 -0.000 0.000 0.208 413 E C -0.240 176.442 176.600 0.137 0.000 1.013 413 E CA 0.075 56.581 56.400 0.177 0.000 1.093 413 E CB -0.741 29.028 29.700 0.115 0.000 1.129 413 E HN 0.674 nan 8.360 nan 0.000 0.450 414 D N -0.899 119.579 120.400 0.130 0.000 2.378 414 D HA 0.383 5.023 4.640 -0.000 0.000 0.238 414 D C 1.623 177.986 176.300 0.107 0.000 1.180 414 D CA 0.878 54.934 54.000 0.094 0.000 0.895 414 D CB 1.283 42.122 40.800 0.065 0.000 1.192 414 D HN 0.187 nan 8.370 nan 0.000 0.438 415 A N 2.702 125.577 122.820 0.091 0.000 1.929 415 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 415 A C 0.659 178.324 177.584 0.134 0.000 1.176 415 A CA 1.059 53.164 52.037 0.113 0.000 0.628 415 A CB -0.095 18.957 19.000 0.085 0.000 0.816 415 A HN 0.389 nan 8.150 nan 0.000 0.444 416 K N 1.028 121.478 120.400 0.083 0.000 2.227 416 K HA 0.086 4.406 4.320 -0.000 0.000 0.280 416 K C 0.865 177.490 176.600 0.041 0.000 1.041 416 K CA -0.514 55.806 56.287 0.054 0.000 0.905 416 K CB 0.678 33.154 32.500 -0.040 0.000 1.068 416 K HN 0.734 nan 8.250 nan 0.000 0.470 417 W N 4.982 126.280 121.300 -0.004 0.000 2.392 417 W HA -0.117 4.542 4.660 -0.001 0.000 0.279 417 W C 0.840 177.317 176.519 -0.070 0.000 1.225 417 W CA 0.349 57.663 57.345 -0.051 0.000 1.233 417 W CB -0.384 29.036 29.460 -0.067 0.000 1.122 417 W HN 0.479 nan 8.180 nan 0.000 0.561 418 R N 0.941 120.961 120.500 -0.801 0.000 2.115 418 R HA -0.093 4.246 4.340 -0.000 0.000 0.230 418 R C 2.316 178.418 176.300 -0.330 0.000 1.111 418 R CA 1.723 57.362 56.100 -0.769 0.000 0.976 418 R CB -0.508 29.294 30.300 -0.829 0.000 0.870 418 R HN 0.154 nan 8.270 nan 0.000 0.445 419 V N 0.730 120.513 119.914 -0.218 0.000 2.307 419 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 419 V C 2.321 178.370 176.094 -0.074 0.000 1.045 419 V CA 1.573 63.802 62.300 -0.118 0.000 1.024 419 V CB -0.498 31.283 31.823 -0.069 0.000 0.651 419 V HN 0.279 nan 8.190 nan 0.000 0.449 420 R N -0.414 120.064 120.500 -0.037 0.000 2.096 420 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 420 R C 2.305 178.497 176.300 -0.180 0.000 1.139 420 R CA 1.958 58.034 56.100 -0.039 0.000 0.952 420 R CB -0.675 29.638 30.300 0.022 0.000 0.854 420 R HN 0.399 nan 8.270 nan 0.000 0.436 421 L N 0.673 121.816 121.223 -0.134 0.000 2.042 421 L HA -0.152 4.187 4.340 -0.000 0.000 0.210 421 L C 2.287 179.063 176.870 -0.157 0.000 1.076 421 L CA 1.985 56.732 54.840 -0.154 0.000 0.749 421 L CB -0.532 41.509 42.059 -0.031 0.000 0.893 421 L HN 0.164 nan 8.230 nan 0.000 0.432 422 A N -0.120 122.623 122.820 -0.129 0.000 1.917 422 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 422 A C 2.155 179.709 177.584 -0.049 0.000 1.182 422 A CA 2.140 54.120 52.037 -0.095 0.000 0.633 422 A CB -0.824 18.113 19.000 -0.106 0.000 0.819 422 A HN 0.463 nan 8.150 nan 0.000 0.448 423 I N -0.168 120.376 120.570 -0.044 0.000 2.315 423 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 423 I C 2.429 178.560 176.117 0.024 0.000 1.117 423 I CA 1.123 62.465 61.300 0.070 0.000 1.404 423 I CB -1.182 36.909 38.000 0.152 0.000 1.071 423 I HN 0.323 nan 8.210 nan 0.000 0.419 424 I N 0.793 121.172 120.570 -0.318 0.000 2.179 424 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 424 I C 2.205 178.245 176.117 -0.130 0.000 1.088 424 I CA 1.394 62.388 61.300 -0.510 0.000 1.357 424 I CB -0.376 37.152 38.000 -0.786 0.000 1.051 424 I HN 0.238 nan 8.210 nan 0.000 0.409 425 E N -0.611 119.542 120.200 -0.077 0.000 2.472 425 E HA -0.229 4.120 4.350 -0.000 0.000 0.200 425 E C 1.487 178.136 176.600 0.081 0.000 1.046 425 E CA 0.767 57.162 56.400 -0.008 0.000 0.871 425 E CB 0.093 29.782 29.700 -0.018 0.000 0.806 425 E HN 0.587 nan 8.360 nan 0.000 0.533 426 Y N -0.586 119.702 120.300 -0.021 0.000 2.498 426 Y HA 0.056 4.605 4.550 -0.000 0.000 0.259 426 Y C 1.944 177.878 175.900 0.058 0.000 1.086 426 Y CA -0.073 58.033 58.100 0.010 0.000 1.287 426 Y CB 0.351 38.818 38.460 0.012 0.000 1.146 426 Y HN -0.065 nan 8.280 nan 0.000 0.523 427 M N 1.091 120.742 119.600 0.084 0.000 2.073 427 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 427 M C -0.668 175.602 176.300 -0.051 0.000 1.070 427 M CA 2.007 57.373 55.300 0.110 0.000 1.103 427 M CB -2.136 30.695 32.600 0.385 0.000 1.321 427 M HN 0.151 nan 8.290 nan 0.000 0.405 428 P HA -0.156 nan 4.420 nan 0.000 0.215 428 P C 1.782 178.932 177.300 -0.250 0.000 1.157 428 P CA 1.020 64.004 63.100 -0.192 0.000 0.868 428 P CB -0.265 31.344 31.700 -0.152 0.000 0.788 429 L N -0.831 120.242 121.223 -0.250 0.000 1.989 429 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 429 L C 2.302 178.992 176.870 -0.300 0.000 1.071 429 L CA 1.745 56.428 54.840 -0.262 0.000 0.749 429 L CB -1.451 40.458 42.059 -0.251 0.000 0.890 429 L HN -0.112 nan 8.230 nan 0.000 0.431 430 L N -0.947 119.998 121.223 -0.463 0.000 2.042 430 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 430 L C 2.507 179.321 176.870 -0.093 0.000 1.076 430 L CA 1.657 56.294 54.840 -0.338 0.000 0.749 430 L CB -0.544 41.259 42.059 -0.425 0.000 0.893 430 L HN 0.454 nan 8.230 nan 0.000 0.432 431 A N -0.154 122.639 122.820 -0.045 0.000 1.877 431 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 431 A C 2.317 179.926 177.584 0.042 0.000 1.186 431 A CA 1.632 53.716 52.037 0.077 0.000 0.620 431 A CB -1.411 17.488 19.000 -0.168 0.000 0.822 431 A HN 0.522 nan 8.150 nan 0.000 0.443 432 G N -0.730 107.988 108.800 -0.135 0.000 2.505 432 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 432 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 432 G C 1.588 176.473 174.900 -0.024 0.000 1.145 432 G CA 1.290 46.330 45.100 -0.101 0.000 0.761 432 G HN 0.671 nan 8.290 nan 0.000 0.571 433 Q N -0.529 119.242 119.800 -0.048 0.000 2.245 433 Q HA 0.227 4.567 4.340 -0.000 0.000 0.201 433 Q C 2.573 178.541 176.000 -0.053 0.000 0.955 433 Q CA 0.427 56.202 55.803 -0.048 0.000 0.870 433 Q CB -0.056 28.644 28.738 -0.062 0.000 0.945 433 Q HN 0.463 nan 8.270 nan 0.000 0.461 434 L N -0.642 120.559 121.223 -0.037 0.000 2.131 434 L HA 0.130 4.469 4.340 -0.000 0.000 0.206 434 L C 0.967 177.839 176.870 0.003 0.000 1.087 434 L CA 0.512 55.285 54.840 -0.111 0.000 0.767 434 L CB -0.349 41.650 42.059 -0.101 0.000 0.917 434 L HN 0.295 nan 8.230 nan 0.000 0.441 435 G N -1.068 107.789 108.800 0.094 0.000 2.690 435 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 435 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 435 G C 0.244 175.122 174.900 -0.037 0.000 1.277 435 G CA -0.507 44.623 45.100 0.050 0.000 0.799 435 G HN -0.151 nan 8.290 nan 0.000 0.613 436 V N 0.711 120.377 119.914 -0.412 0.000 2.295 436 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 436 V C 2.784 178.760 176.094 -0.196 0.000 1.049 436 V CA 2.726 64.562 62.300 -0.773 0.000 1.024 436 V CB -0.766 30.449 31.823 -1.013 0.000 0.648 436 V HN 0.904 nan 8.190 nan 0.000 0.447 437 E N 0.223 120.377 120.200 -0.077 0.000 2.153 437 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 437 E C 2.130 178.772 176.600 0.068 0.000 0.988 437 E CA 1.571 57.977 56.400 0.010 0.000 0.811 437 E CB -0.535 29.174 29.700 0.015 0.000 0.746 437 E HN 0.602 nan 8.360 nan 0.000 0.466 438 F N 1.310 121.257 119.950 -0.004 0.000 2.094 438 F HA -0.044 4.483 4.527 -0.000 0.000 0.291 438 F C 2.246 178.077 175.800 0.052 0.000 1.109 438 F CA 0.955 58.970 58.000 0.024 0.000 1.221 438 F CB -0.466 38.557 39.000 0.039 0.000 1.014 438 F HN -0.042 nan 8.300 nan 0.000 0.473 439 F N 2.120 122.220 119.950 0.251 0.000 2.032 439 F HA -0.337 4.190 4.527 -0.000 0.000 0.297 439 F C 2.187 178.018 175.800 0.052 0.000 1.125 439 F CA 2.321 60.428 58.000 0.178 0.000 1.202 439 F CB -0.787 38.329 39.000 0.193 0.000 0.958 439 F HN 0.255 nan 8.300 nan 0.000 0.491 440 D N -0.548 119.942 120.400 0.150 0.000 2.324 440 D HA -0.078 4.562 4.640 -0.000 0.000 0.235 440 D C 1.412 177.656 176.300 -0.093 0.000 1.095 440 D CA 0.782 54.808 54.000 0.043 0.000 0.871 440 D CB -0.651 40.405 40.800 0.427 0.000 0.906 440 D HN 0.727 nan 8.370 nan 0.000 0.522 441 E N 0.489 120.582 120.200 -0.179 0.000 2.162 441 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 441 E C 1.601 178.011 176.600 -0.317 0.000 0.953 441 E CA 0.239 56.504 56.400 -0.225 0.000 0.849 441 E CB 0.195 29.761 29.700 -0.224 0.000 0.810 441 E HN 0.054 nan 8.360 nan 0.000 0.470 442 K N -0.683 119.444 120.400 -0.455 0.000 2.367 442 K HA 0.174 4.494 4.320 -0.000 0.000 0.195 442 K C 0.672 177.055 176.600 -0.362 0.000 1.060 442 K CA 0.031 56.053 56.287 -0.442 0.000 1.022 442 K CB 0.753 32.850 32.500 -0.670 0.000 0.894 442 K HN 0.100 nan 8.250 nan 0.000 0.540 443 L N -0.265 120.660 121.223 -0.496 0.000 3.039 443 L HA 0.163 4.503 4.340 -0.000 0.000 0.269 443 L C 1.267 177.644 176.870 -0.821 0.000 1.169 443 L CA 0.405 54.891 54.840 -0.590 0.000 0.986 443 L CB 0.177 41.925 42.059 -0.518 0.000 1.377 443 L HN 0.001 nan 8.230 nan 0.000 0.575 444 N N -0.395 117.846 118.700 -0.765 0.000 2.028 444 N HA -0.188 4.552 4.740 -0.000 0.000 0.194 444 N C 1.857 177.206 175.510 -0.268 0.000 1.050 444 N CA 2.002 54.781 53.050 -0.452 0.000 0.848 444 N CB 0.128 38.508 38.487 -0.178 0.000 1.038 444 N HN 0.124 nan 8.380 nan 0.000 0.423 445 S N 0.045 115.595 115.700 -0.250 0.000 2.374 445 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 445 S C 1.764 176.191 174.600 -0.288 0.000 1.037 445 S CA 0.943 59.015 58.200 -0.213 0.000 1.024 445 S CB -0.537 62.554 63.200 -0.181 0.000 0.861 445 S HN 0.304 nan 8.310 nan 0.000 0.456 446 L N 1.103 122.096 121.223 -0.384 0.000 2.042 446 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 446 L C 2.308 178.590 176.870 -0.979 0.000 1.076 446 L CA 1.581 56.070 54.840 -0.585 0.000 0.749 446 L CB -0.836 40.902 42.059 -0.535 0.000 0.893 446 L HN 0.381 nan 8.230 nan 0.000 0.432 447 C N -1.948 116.936 119.300 -0.694 0.000 2.457 447 C HA -0.079 4.380 4.460 -0.000 0.000 0.278 447 C C 2.637 177.558 174.990 -0.115 0.000 1.309 447 C CA 0.315 59.063 59.018 -0.450 0.000 1.735 447 C CB -0.560 27.244 27.740 0.107 0.000 1.992 447 C HN 0.518 nan 8.230 nan 0.000 0.493 448 M N 1.650 121.179 119.600 -0.118 0.000 2.117 448 M HA -0.041 4.439 4.480 -0.000 0.000 0.262 448 M C 2.414 178.676 176.300 -0.063 0.000 1.065 448 M CA 1.868 57.136 55.300 -0.053 0.000 1.114 448 M CB -1.221 31.335 32.600 -0.072 0.000 1.361 448 M HN 0.363 nan 8.290 nan 0.000 0.408 449 A N -0.759 121.972 122.820 -0.149 0.000 1.917 449 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 449 A C 1.965 179.559 177.584 0.017 0.000 1.182 449 A CA 1.744 53.718 52.037 -0.105 0.000 0.633 449 A CB -1.288 17.611 19.000 -0.167 0.000 0.819 449 A HN 0.662 nan 8.150 nan 0.000 0.448 450 W N 0.007 121.300 121.300 -0.011 0.000 2.325 450 W HA -0.138 4.522 4.660 -0.000 0.000 0.299 450 W C 1.991 178.479 176.519 -0.052 0.000 1.215 450 W CA 0.958 58.291 57.345 -0.020 0.000 1.244 450 W CB -1.282 28.184 29.460 0.009 0.000 1.140 450 W HN 0.310 nan 8.180 nan 0.000 0.523 451 L N -0.523 120.804 121.223 0.174 0.000 2.265 451 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 451 L C 1.762 178.586 176.870 -0.077 0.000 1.117 451 L CA 0.627 55.498 54.840 0.053 0.000 0.782 451 L CB -0.717 41.363 42.059 0.034 0.000 0.914 451 L HN -0.252 nan 8.230 nan 0.000 0.441 452 V N -0.904 118.952 119.914 -0.097 0.000 3.214 452 V HA 0.087 4.207 4.120 -0.000 0.000 0.330 452 V C 0.462 176.475 176.094 -0.135 0.000 1.403 452 V CA -0.143 61.993 62.300 -0.274 0.000 1.143 452 V CB -0.054 31.645 31.823 -0.208 0.000 1.098 452 V HN 0.242 nan 8.190 nan 0.000 0.463 453 D N -0.200 120.180 120.400 -0.034 0.000 2.341 453 D HA -0.006 4.633 4.640 -0.000 0.000 0.245 453 D C 1.489 177.801 176.300 0.020 0.000 1.106 453 D CA -0.040 53.965 54.000 0.008 0.000 0.905 453 D CB 0.985 41.784 40.800 -0.002 0.000 1.202 453 D HN 0.582 nan 8.370 nan 0.000 0.426 454 H N 1.568 120.692 119.070 0.090 0.000 2.421 454 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 454 H C 0.960 176.309 175.328 0.036 0.000 1.087 454 H CA 0.595 56.695 56.048 0.087 0.000 1.330 454 H CB -0.365 29.442 29.762 0.074 0.000 1.388 454 H HN 0.121 nan 8.280 nan 0.000 0.526 455 V N 0.089 119.856 119.914 -0.245 0.000 2.546 455 V HA 0.046 4.165 4.120 -0.000 0.000 0.284 455 V C 1.360 177.347 176.094 -0.178 0.000 1.050 455 V CA -0.702 61.463 62.300 -0.225 0.000 0.981 455 V CB 1.072 32.601 31.823 -0.491 0.000 0.990 455 V HN 0.355 nan 8.190 nan 0.000 0.474 456 Y N 5.739 125.907 120.300 -0.219 0.000 2.097 456 Y HA -0.118 4.432 4.550 -0.001 0.000 0.282 456 Y C 2.327 178.108 175.900 -0.197 0.000 1.152 456 Y CA 2.744 60.752 58.100 -0.154 0.000 1.136 456 Y CB -0.369 38.021 38.460 -0.116 0.000 0.975 456 Y HN 0.820 nan 8.280 nan 0.000 0.498 457 A N 1.018 123.485 122.820 -0.589 0.000 1.927 457 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 457 A C 2.137 179.457 177.584 -0.440 0.000 1.185 457 A CA 2.156 53.821 52.037 -0.620 0.000 0.639 457 A CB -1.033 17.565 19.000 -0.669 0.000 0.820 457 A HN 0.585 nan 8.150 nan 0.000 0.451 458 I N -0.575 119.784 120.570 -0.351 0.000 2.202 458 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 458 I C 2.590 178.584 176.117 -0.205 0.000 1.091 458 I CA 1.451 62.617 61.300 -0.222 0.000 1.368 458 I CB -1.323 36.578 38.000 -0.165 0.000 1.058 458 I HN 0.375 nan 8.210 nan 0.000 0.410 459 R N 0.415 120.794 120.500 -0.202 0.000 2.094 459 R HA -0.240 4.099 4.340 -0.000 0.000 0.239 459 R C 2.214 178.412 176.300 -0.171 0.000 1.137 459 R CA 1.910 57.941 56.100 -0.115 0.000 0.943 459 R CB -0.437 29.848 30.300 -0.025 0.000 0.850 459 R HN 0.437 nan 8.270 nan 0.000 0.433 460 E N 0.367 120.302 120.200 -0.441 0.000 2.033 460 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 460 E C 1.949 178.418 176.600 -0.218 0.000 1.011 460 E CA 1.596 57.735 56.400 -0.435 0.000 0.815 460 E CB -0.116 29.099 29.700 -0.808 0.000 0.755 460 E HN 0.394 nan 8.360 nan 0.000 0.451 461 A N 1.019 123.709 122.820 -0.217 0.000 1.908 461 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 461 A C 2.383 179.916 177.584 -0.085 0.000 1.181 461 A CA 2.011 53.963 52.037 -0.142 0.000 0.627 461 A CB -0.819 18.084 19.000 -0.162 0.000 0.818 461 A HN 0.445 nan 8.150 nan 0.000 0.445 462 A N -1.351 121.434 122.820 -0.059 0.000 2.067 462 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 462 A C 2.194 179.840 177.584 0.103 0.000 1.158 462 A CA 2.058 54.145 52.037 0.082 0.000 0.661 462 A CB -0.890 18.229 19.000 0.198 0.000 0.801 462 A HN 0.442 nan 8.150 nan 0.000 0.452 463 T N 0.321 114.904 114.554 0.049 0.000 2.770 463 T HA -0.095 4.255 4.350 -0.000 0.000 0.258 463 T C 2.347 177.081 174.700 0.057 0.000 1.039 463 T CA 1.737 63.878 62.100 0.068 0.000 1.143 463 T CB -0.319 68.593 68.868 0.074 0.000 0.866 463 T HN 0.711 nan 8.240 nan 0.000 0.428 464 S N 2.097 117.810 115.700 0.021 0.000 2.406 464 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 464 S C 1.891 176.505 174.600 0.023 0.000 1.020 464 S CA 0.641 58.850 58.200 0.016 0.000 0.965 464 S CB -0.676 62.518 63.200 -0.009 0.000 0.798 464 S HN 0.456 nan 8.310 nan 0.000 0.488 465 N N 1.105 119.824 118.700 0.031 0.000 2.133 465 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 465 N C 1.452 177.009 175.510 0.079 0.000 1.012 465 N CA 1.384 54.467 53.050 0.056 0.000 0.871 465 N CB -0.250 38.306 38.487 0.115 0.000 1.011 465 N HN 0.237 nan 8.380 nan 0.000 0.435 466 L N 2.036 123.325 121.223 0.110 0.000 2.046 466 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 466 L C 2.441 179.375 176.870 0.106 0.000 1.077 466 L CA 1.539 56.463 54.840 0.140 0.000 0.747 466 L CB -0.838 41.297 42.059 0.127 0.000 0.896 466 L HN 0.105 nan 8.230 nan 0.000 0.432 467 K N -0.031 120.406 120.400 0.063 0.000 2.097 467 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 467 K C 2.098 178.695 176.600 -0.006 0.000 1.050 467 K CA 1.317 57.628 56.287 0.040 0.000 0.938 467 K CB 0.099 32.616 32.500 0.028 0.000 0.718 467 K HN 0.232 nan 8.250 nan 0.000 0.442 468 K N 0.242 120.620 120.400 -0.037 0.000 2.097 468 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 468 K C 2.063 178.532 176.600 -0.219 0.000 1.050 468 K CA 0.695 56.917 56.287 -0.108 0.000 0.938 468 K CB -0.034 32.404 32.500 -0.103 0.000 0.718 468 K HN -0.027 nan 8.250 nan 0.000 0.442 469 L N 0.257 121.355 121.223 -0.207 0.000 2.005 469 L HA -0.145 4.194 4.340 -0.000 0.000 0.207 469 L C 2.091 178.707 176.870 -0.423 0.000 1.072 469 L CA 1.446 56.013 54.840 -0.455 0.000 0.744 469 L CB -0.798 41.158 42.059 -0.172 0.000 0.895 469 L HN -0.056 nan 8.230 nan 0.000 0.433 470 V N -0.441 119.486 119.914 0.021 0.000 2.568 470 V HA -0.282 3.838 4.120 -0.000 0.000 0.253 470 V C 2.342 178.430 176.094 -0.010 0.000 1.072 470 V CA 1.453 63.844 62.300 0.151 0.000 1.084 470 V CB -0.622 31.336 31.823 0.226 0.000 0.676 470 V HN 0.513 nan 8.190 nan 0.000 0.469 471 E N 0.303 120.443 120.200 -0.101 0.000 2.274 471 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 471 E C 2.125 178.623 176.600 -0.169 0.000 0.996 471 E CA 0.952 57.289 56.400 -0.105 0.000 0.840 471 E CB -0.008 29.634 29.700 -0.096 0.000 0.772 471 E HN 0.685 nan 8.360 nan 0.000 0.491 472 K N -0.448 119.744 120.400 -0.346 0.000 2.354 472 K HA 0.059 4.378 4.320 -0.000 0.000 0.194 472 K C 0.986 177.456 176.600 -0.216 0.000 1.045 472 K CA 0.344 56.413 56.287 -0.363 0.000 1.026 472 K CB 0.334 32.530 32.500 -0.507 0.000 0.866 472 K HN 0.019 nan 8.250 nan 0.000 0.530 473 F N 1.918 121.666 119.950 -0.337 0.000 2.731 473 F HA 0.341 4.868 4.527 0.000 0.000 0.298 473 F C 1.157 176.900 175.800 -0.095 0.000 1.106 473 F CA -0.184 57.574 58.000 -0.404 0.000 1.329 473 F CB -0.067 38.263 39.000 -1.117 0.000 1.100 473 F HN 0.283 nan 8.300 nan 0.000 0.592 474 G N 1.368 110.259 108.800 0.151 0.000 2.787 474 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.685 474 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.685 474 G C 0.862 175.918 174.900 0.260 0.000 1.437 474 G CA -0.108 45.092 45.100 0.167 0.000 0.872 474 G HN 0.429 nan 8.290 nan 0.000 0.566 475 K N -0.335 120.174 120.400 0.181 0.000 2.283 475 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 475 K C 1.777 178.485 176.600 0.179 0.000 1.048 475 K CA 2.016 58.406 56.287 0.172 0.000 0.948 475 K CB -0.015 32.549 32.500 0.108 0.000 0.742 475 K HN 0.633 nan 8.250 nan 0.000 0.458 476 E N 0.580 120.888 120.200 0.181 0.000 2.250 476 E HA -0.153 4.196 4.350 -0.000 0.000 0.192 476 E C 1.736 178.466 176.600 0.217 0.000 0.986 476 E CA 0.336 56.831 56.400 0.158 0.000 0.849 476 E CB -0.624 29.134 29.700 0.096 0.000 0.797 476 E HN 0.578 nan 8.360 nan 0.000 0.482 477 W N 2.819 124.169 121.300 0.083 0.000 2.363 477 W HA -0.005 4.655 4.660 -0.001 0.000 0.296 477 W C 2.347 178.922 176.519 0.094 0.000 1.212 477 W CA 2.344 59.738 57.345 0.082 0.000 1.260 477 W CB -0.158 29.361 29.460 0.100 0.000 1.131 477 W HN 0.109 nan 8.180 nan 0.000 0.530 478 A N 0.038 122.944 122.820 0.144 0.000 1.883 478 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 478 A C 2.176 179.661 177.584 -0.164 0.000 1.186 478 A CA 1.966 53.928 52.037 -0.125 0.000 0.624 478 A CB -1.778 17.294 19.000 0.120 0.000 0.822 478 A HN 0.662 nan 8.150 nan 0.000 0.444 479 H N -0.200 118.792 119.070 -0.130 0.000 2.457 479 H HA -0.012 4.544 4.556 -0.000 0.000 0.297 479 H C 1.831 177.029 175.328 -0.218 0.000 1.092 479 H CA 1.647 57.585 56.048 -0.184 0.000 1.309 479 H CB 0.004 29.657 29.762 -0.182 0.000 1.382 479 H HN 0.413 nan 8.280 nan 0.000 0.535 480 A N -0.797 121.871 122.820 -0.254 0.000 2.197 480 A HA 0.128 4.448 4.320 -0.000 0.000 0.210 480 A C 1.976 179.372 177.584 -0.313 0.000 1.180 480 A CA 0.648 52.522 52.037 -0.272 0.000 0.846 480 A CB 0.228 19.174 19.000 -0.090 0.000 0.884 480 A HN 0.432 nan 8.150 nan 0.000 0.487 481 T N -1.020 113.267 114.554 -0.445 0.000 3.125 481 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 481 T C 1.470 175.902 174.700 -0.446 0.000 0.981 481 T CA 0.495 62.291 62.100 -0.507 0.000 1.069 481 T CB -0.004 68.303 68.868 -0.935 0.000 1.091 481 T HN 0.136 nan 8.240 nan 0.000 0.460 482 I N 1.686 121.948 120.570 -0.513 0.000 2.594 482 I HA 0.124 4.294 4.170 -0.000 0.000 0.237 482 I C 2.406 178.403 176.117 -0.202 0.000 1.071 482 I CA 0.529 61.639 61.300 -0.317 0.000 1.427 482 I CB -1.162 36.663 38.000 -0.292 0.000 1.218 482 I HN 0.130 nan 8.210 nan 0.000 0.444 483 I N 2.053 122.508 120.570 -0.191 0.000 2.103 483 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 483 I C -0.126 175.914 176.117 -0.128 0.000 1.036 483 I CA 2.448 63.669 61.300 -0.131 0.000 1.300 483 I CB -2.854 35.065 38.000 -0.134 0.000 1.010 483 I HN 0.175 nan 8.210 nan 0.000 0.406 484 P HA -0.125 nan 4.420 nan 0.000 0.217 484 P C 1.530 178.772 177.300 -0.096 0.000 1.150 484 P CA 1.394 64.414 63.100 -0.134 0.000 0.832 484 P CB -0.159 31.441 31.700 -0.167 0.000 0.787 485 K N -0.321 120.016 120.400 -0.104 0.000 2.057 485 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 485 K C 2.090 178.655 176.600 -0.058 0.000 1.049 485 K CA 0.981 57.222 56.287 -0.077 0.000 0.931 485 K CB -1.339 31.112 32.500 -0.081 0.000 0.714 485 K HN 0.086 nan 8.250 nan 0.000 0.440 486 V N 2.260 122.140 119.914 -0.057 0.000 2.287 486 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 486 V C 2.376 178.449 176.094 -0.034 0.000 1.053 486 V CA 1.626 63.904 62.300 -0.037 0.000 1.027 486 V CB -0.451 31.357 31.823 -0.026 0.000 0.646 486 V HN 0.219 nan 8.190 nan 0.000 0.447 487 L N -0.106 121.096 121.223 -0.035 0.000 2.217 487 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 487 L C 2.666 179.521 176.870 -0.026 0.000 1.107 487 L CA 1.060 55.885 54.840 -0.026 0.000 0.783 487 L CB -0.856 41.193 42.059 -0.017 0.000 0.919 487 L HN 0.324 nan 8.230 nan 0.000 0.442 488 A N 0.067 122.868 122.820 -0.032 0.000 1.986 488 A HA -0.239 4.080 4.320 -0.000 0.000 0.220 488 A C 2.282 179.855 177.584 -0.017 0.000 1.171 488 A CA 1.708 53.730 52.037 -0.026 0.000 0.640 488 A CB -0.538 18.442 19.000 -0.033 0.000 0.811 488 A HN 0.395 nan 8.150 nan 0.000 0.451 489 M N 0.526 120.114 119.600 -0.020 0.000 2.632 489 M HA -0.095 4.385 4.480 -0.000 0.000 0.256 489 M C 1.932 178.226 176.300 -0.011 0.000 1.080 489 M CA 1.181 56.474 55.300 -0.011 0.000 1.084 489 M CB -0.154 32.431 32.600 -0.024 0.000 1.439 489 M HN 0.637 nan 8.290 nan 0.000 0.509 490 S N -1.305 114.383 115.700 -0.020 0.000 2.561 490 S HA 0.043 4.513 4.470 -0.000 0.000 0.225 490 S C 1.479 176.071 174.600 -0.013 0.000 0.977 490 S CA 0.646 58.831 58.200 -0.024 0.000 0.926 490 S CB -0.293 62.890 63.200 -0.027 0.000 0.769 490 S HN 0.506 nan 8.310 nan 0.000 0.533 491 G N 0.464 109.262 108.800 -0.005 0.000 3.453 491 G HA2 0.155 4.115 3.960 -0.000 0.000 0.263 491 G HA3 0.155 4.115 3.960 -0.000 0.000 0.263 491 G C -0.200 174.706 174.900 0.009 0.000 1.060 491 G CA -0.388 44.712 45.100 0.000 0.000 0.793 491 G HN 0.426 nan 8.290 nan 0.000 0.532 492 D N 1.677 122.089 120.400 0.021 0.000 2.458 492 D HA 0.060 4.700 4.640 -0.000 0.000 0.243 492 D C -0.812 175.498 176.300 0.017 0.000 1.146 492 D CA -1.397 52.625 54.000 0.038 0.000 0.877 492 D CB 2.154 43.010 40.800 0.093 0.000 1.176 492 D HN 0.037 nan 8.370 nan 0.000 0.461 493 P HA -0.150 nan 4.420 nan 0.000 0.220 493 P C 0.172 177.470 177.300 -0.003 0.000 1.144 493 P CA 0.781 63.881 63.100 -0.001 0.000 0.800 493 P CB 0.138 31.835 31.700 -0.006 0.000 0.772 494 N N -0.715 117.963 118.700 -0.036 0.000 2.422 494 N HA 0.066 4.806 4.740 -0.000 0.000 0.266 494 N C 1.360 176.867 175.510 -0.005 0.000 1.007 494 N CA -0.684 52.333 53.050 -0.056 0.000 0.941 494 N CB 0.508 38.830 38.487 -0.277 0.000 1.115 494 N HN -0.054 nan 8.380 nan 0.000 0.492 495 Y N 3.275 123.524 120.300 -0.085 0.000 2.384 495 Y HA -0.132 4.418 4.550 -0.000 0.000 0.289 495 Y C 1.212 177.071 175.900 -0.068 0.000 1.152 495 Y CA 0.573 58.625 58.100 -0.079 0.000 1.258 495 Y CB 0.051 38.463 38.460 -0.081 0.000 0.979 495 Y HN 0.483 nan 8.280 nan 0.000 0.549 496 L N 0.570 121.401 121.223 -0.653 0.000 2.109 496 L HA -0.135 4.204 4.340 -0.000 0.000 0.207 496 L C 2.299 179.102 176.870 -0.112 0.000 1.086 496 L CA 1.703 56.185 54.840 -0.596 0.000 0.760 496 L CB -1.042 40.759 42.059 -0.430 0.000 0.910 496 L HN 0.448 nan 8.230 nan 0.000 0.437 497 H N -2.233 116.734 119.070 -0.171 0.000 2.497 497 H HA 0.050 4.606 4.556 -0.000 0.000 0.282 497 H C 2.161 177.414 175.328 -0.125 0.000 1.003 497 H CA 0.129 56.118 56.048 -0.099 0.000 1.307 497 H CB 0.461 30.194 29.762 -0.048 0.000 1.437 497 H HN 0.202 nan 8.280 nan 0.000 0.544 498 R N 0.579 121.073 120.500 -0.009 0.000 2.081 498 R HA -0.109 4.230 4.340 -0.000 0.000 0.235 498 R C 2.135 178.311 176.300 -0.206 0.000 1.131 498 R CA 1.351 57.404 56.100 -0.078 0.000 0.960 498 R CB -0.017 30.253 30.300 -0.051 0.000 0.856 498 R HN 0.311 nan 8.270 nan 0.000 0.436 499 M N -0.551 118.852 119.600 -0.328 0.000 2.296 499 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 499 M C 1.905 177.609 176.300 -0.993 0.000 1.064 499 M CA 1.381 56.265 55.300 -0.693 0.000 1.109 499 M CB -0.145 32.009 32.600 -0.743 0.000 1.396 499 M HN 0.115 nan 8.290 nan 0.000 0.430 500 T N 0.137 114.422 114.554 -0.449 0.000 2.720 500 T HA -0.143 4.206 4.350 -0.000 0.000 0.268 500 T C 1.784 176.397 174.700 -0.146 0.000 1.037 500 T CA 2.001 63.999 62.100 -0.169 0.000 1.144 500 T CB -0.567 68.288 68.868 -0.021 0.000 0.864 500 T HN 0.418 nan 8.240 nan 0.000 0.444 501 T N 2.162 116.622 114.554 -0.156 0.000 2.737 501 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 501 T C 1.758 176.395 174.700 -0.104 0.000 1.040 501 T CA 0.846 62.886 62.100 -0.099 0.000 1.142 501 T CB -0.330 68.487 68.868 -0.086 0.000 0.861 501 T HN 0.084 nan 8.240 nan 0.000 0.456 502 L N -0.097 120.992 121.223 -0.223 0.000 2.131 502 L HA 0.253 4.593 4.340 -0.000 0.000 0.206 502 L C 2.015 178.894 176.870 0.014 0.000 1.087 502 L CA 1.241 55.992 54.840 -0.148 0.000 0.767 502 L CB -1.096 40.819 42.059 -0.240 0.000 0.917 502 L HN 0.359 nan 8.230 nan 0.000 0.441 503 F N -2.047 117.913 119.950 0.016 0.000 2.234 503 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 503 F C 2.564 178.381 175.800 0.029 0.000 1.087 503 F CA 0.352 58.370 58.000 0.030 0.000 1.340 503 F CB -0.563 38.469 39.000 0.054 0.000 1.031 503 F HN 0.109 nan 8.300 nan 0.000 0.500 504 C N 0.480 119.890 119.300 0.183 0.000 2.453 504 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 504 C C 2.702 177.745 174.990 0.088 0.000 1.262 504 C CA 0.564 59.650 59.018 0.114 0.000 1.718 504 C CB -0.919 26.862 27.740 0.069 0.000 2.031 504 C HN 0.407 nan 8.230 nan 0.000 0.480 505 I N 1.531 122.143 120.570 0.070 0.000 2.226 505 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 505 I C 2.114 178.276 176.117 0.075 0.000 1.100 505 I CA 1.723 63.060 61.300 0.061 0.000 1.374 505 I CB -0.640 37.385 38.000 0.042 0.000 1.057 505 I HN 0.474 nan 8.210 nan 0.000 0.413 506 N N -0.080 118.679 118.700 0.098 0.000 2.091 506 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 506 N C 1.749 177.306 175.510 0.079 0.000 1.021 506 N CA 1.441 54.550 53.050 0.098 0.000 0.862 506 N CB -0.103 38.465 38.487 0.135 0.000 1.018 506 N HN 0.129 nan 8.380 nan 0.000 0.429 507 V N 0.691 120.655 119.914 0.083 0.000 2.446 507 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 507 V C 1.986 178.117 176.094 0.063 0.000 1.039 507 V CA 1.056 63.396 62.300 0.067 0.000 1.045 507 V CB -0.241 31.624 31.823 0.070 0.000 0.681 507 V HN 0.273 nan 8.190 nan 0.000 0.459 508 L N 0.666 121.930 121.223 0.068 0.000 2.217 508 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 508 L C 2.731 179.640 176.870 0.065 0.000 1.107 508 L CA 1.489 56.371 54.840 0.069 0.000 0.783 508 L CB -0.559 41.540 42.059 0.067 0.000 0.919 508 L HN 0.549 nan 8.230 nan 0.000 0.442 509 S N -0.233 115.504 115.700 0.062 0.000 2.383 509 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 509 S C 1.635 176.266 174.600 0.051 0.000 1.030 509 S CA 1.289 59.524 58.200 0.057 0.000 1.002 509 S CB -0.457 62.775 63.200 0.054 0.000 0.829 509 S HN 0.497 nan 8.310 nan 0.000 0.467 510 E N 0.727 120.956 120.200 0.048 0.000 2.333 510 E HA -0.088 4.261 4.350 -0.000 0.000 0.200 510 E C 1.534 178.157 176.600 0.038 0.000 1.010 510 E CA 1.482 57.905 56.400 0.039 0.000 0.841 510 E CB -0.253 29.468 29.700 0.035 0.000 0.757 510 E HN 0.802 nan 8.360 nan 0.000 0.508 511 V N -5.039 114.903 119.914 0.046 0.000 3.432 511 V HA 0.163 4.283 4.120 -0.000 0.000 0.290 511 V C 1.246 177.377 176.094 0.061 0.000 1.591 511 V CA -0.388 61.940 62.300 0.047 0.000 1.069 511 V CB -0.152 31.697 31.823 0.043 0.000 0.892 511 V HN 0.152 nan 8.190 nan 0.000 0.436 512 C N 1.793 121.134 119.300 0.067 0.000 2.634 512 C HA 0.678 5.137 4.460 -0.000 0.000 0.268 512 C C 1.638 176.666 174.990 0.065 0.000 1.322 512 C CA 0.599 59.663 59.018 0.077 0.000 1.737 512 C CB -0.957 26.835 27.740 0.086 0.000 1.976 512 C HN 1.258 nan 8.230 nan 0.000 0.547 513 G N 0.106 108.939 108.800 0.054 0.000 2.730 513 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 513 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 513 G C 0.292 175.219 174.900 0.045 0.000 1.343 513 G CA 0.206 45.333 45.100 0.044 0.000 0.826 513 G HN 0.314 nan 8.290 nan 0.000 0.582 514 Q N -0.740 119.081 119.800 0.036 0.000 2.096 514 Q HA -0.210 4.130 4.340 -0.000 0.000 0.208 514 Q C 2.064 178.085 176.000 0.035 0.000 0.993 514 Q CA 2.422 58.245 55.803 0.032 0.000 0.862 514 Q CB -0.172 28.580 28.738 0.023 0.000 0.915 514 Q HN 0.685 nan 8.270 nan 0.000 0.416 515 D N -0.332 120.090 120.400 0.035 0.000 2.087 515 D HA -0.168 4.472 4.640 -0.000 0.000 0.192 515 D C 1.924 178.266 176.300 0.071 0.000 0.993 515 D CA 1.425 55.447 54.000 0.037 0.000 0.828 515 D CB -0.099 40.718 40.800 0.029 0.000 0.968 515 D HN 0.240 nan 8.370 nan 0.000 0.448 516 I N 1.023 121.655 120.570 0.104 0.000 2.226 516 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 516 I C 2.560 178.785 176.117 0.180 0.000 1.100 516 I CA 1.125 62.544 61.300 0.199 0.000 1.374 516 I CB -0.775 37.312 38.000 0.144 0.000 1.057 516 I HN -0.041 nan 8.210 nan 0.000 0.413 517 T N -0.154 114.464 114.554 0.106 0.000 2.652 517 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 517 T C 1.942 176.678 174.700 0.059 0.000 1.039 517 T CA 2.246 64.395 62.100 0.081 0.000 1.153 517 T CB -0.539 68.365 68.868 0.060 0.000 0.863 517 T HN 0.374 nan 8.240 nan 0.000 0.428 518 T N 1.273 115.848 114.554 0.036 0.000 2.777 518 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 518 T C 2.039 176.719 174.700 -0.033 0.000 1.040 518 T CA 1.124 63.227 62.100 0.005 0.000 1.141 518 T CB -0.097 68.770 68.868 -0.001 0.000 0.868 518 T HN 0.311 nan 8.240 nan 0.000 0.444 519 K N -0.464 119.893 120.400 -0.072 0.000 2.137 519 K HA 0.006 4.325 4.320 -0.000 0.000 0.202 519 K C 1.935 178.324 176.600 -0.353 0.000 1.052 519 K CA 0.846 56.977 56.287 -0.260 0.000 0.961 519 K CB 0.171 32.433 32.500 -0.396 0.000 0.741 519 K HN 0.430 nan 8.250 nan 0.000 0.452 520 H N -1.856 117.246 119.070 0.053 0.000 2.874 520 H HA 0.204 4.760 4.556 -0.000 0.000 0.264 520 H C 1.364 176.713 175.328 0.035 0.000 1.007 520 H CA 0.360 56.445 56.048 0.061 0.000 1.207 520 H CB 0.831 30.668 29.762 0.124 0.000 1.487 520 H HN 0.165 nan 8.280 nan 0.000 0.505 521 M N -0.507 119.163 119.600 0.117 0.000 2.971 521 M HA 0.018 4.498 4.480 -0.000 0.000 0.238 521 M C 2.061 178.385 176.300 0.040 0.000 1.582 521 M CA 0.175 55.520 55.300 0.074 0.000 1.223 521 M CB 0.058 32.703 32.600 0.074 0.000 1.238 521 M HN 0.018 nan 8.290 nan 0.000 0.568 522 L N 2.502 123.744 121.223 0.033 0.000 2.034 522 L HA -0.144 4.196 4.340 -0.000 0.000 0.217 522 L C -0.935 175.941 176.870 0.010 0.000 1.077 522 L CA 2.625 57.477 54.840 0.019 0.000 0.769 522 L CB -1.691 40.376 42.059 0.014 0.000 0.890 522 L HN 0.038 nan 8.230 nan 0.000 0.435 523 P HA -0.136 nan 4.420 nan 0.000 0.216 523 P C 1.721 179.022 177.300 0.002 0.000 1.153 523 P CA 2.067 65.165 63.100 -0.002 0.000 0.858 523 P CB -0.181 31.513 31.700 -0.010 0.000 0.789 524 T N -0.815 113.743 114.554 0.006 0.000 2.746 524 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 524 T C 1.795 176.492 174.700 -0.004 0.000 1.039 524 T CA 1.248 63.349 62.100 0.001 0.000 1.142 524 T CB -0.959 67.911 68.868 0.003 0.000 0.866 524 T HN -0.127 nan 8.240 nan 0.000 0.444 525 V N 1.573 121.487 119.914 0.001 0.000 2.295 525 V HA -0.129 3.990 4.120 -0.000 0.000 0.246 525 V C 2.451 178.545 176.094 0.000 0.000 1.049 525 V CA 1.541 63.840 62.300 -0.001 0.000 1.024 525 V CB -0.676 31.152 31.823 0.009 0.000 0.648 525 V HN 0.456 nan 8.190 nan 0.000 0.447 526 L N -0.665 120.561 121.223 0.004 0.000 2.141 526 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 526 L C 2.739 179.610 176.870 0.003 0.000 1.094 526 L CA 1.405 56.249 54.840 0.006 0.000 0.763 526 L CB -0.605 41.458 42.059 0.007 0.000 0.908 526 L HN 0.238 nan 8.230 nan 0.000 0.437 527 R N -0.219 120.280 120.500 -0.001 0.000 2.115 527 R HA -0.072 4.267 4.340 -0.000 0.000 0.230 527 R C 2.257 178.554 176.300 -0.006 0.000 1.111 527 R CA 1.152 57.251 56.100 -0.003 0.000 0.976 527 R CB -0.280 30.018 30.300 -0.004 0.000 0.870 527 R HN 0.356 nan 8.270 nan 0.000 0.445 528 M N 0.236 119.829 119.600 -0.011 0.000 2.358 528 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 528 M C 2.311 178.603 176.300 -0.014 0.000 1.064 528 M CA 1.110 56.398 55.300 -0.020 0.000 1.093 528 M CB -0.228 32.351 32.600 -0.035 0.000 1.401 528 M HN 0.192 nan 8.290 nan 0.000 0.440 529 A N 0.493 123.312 122.820 -0.003 0.000 2.139 529 A HA -0.092 4.228 4.320 -0.000 0.000 0.221 529 A C 1.966 179.555 177.584 0.009 0.000 1.159 529 A CA 1.738 53.780 52.037 0.009 0.000 0.662 529 A CB -1.076 17.935 19.000 0.018 0.000 0.796 529 A HN 0.584 nan 8.150 nan 0.000 0.463 530 G N -0.860 107.942 108.800 0.002 0.000 3.609 530 G HA2 0.241 4.201 3.960 -0.000 0.000 0.280 530 G HA3 0.241 4.201 3.960 -0.000 0.000 0.280 530 G C -0.087 174.811 174.900 -0.004 0.000 1.155 530 G CA 0.092 45.193 45.100 0.002 0.000 0.876 530 G HN 0.456 nan 8.290 nan 0.000 0.535 531 D N 0.825 121.219 120.400 -0.010 0.000 2.345 531 D HA 0.132 4.772 4.640 -0.000 0.000 0.247 531 D C -1.310 174.981 176.300 -0.016 0.000 1.108 531 D CA -1.535 52.456 54.000 -0.015 0.000 0.894 531 D CB 2.429 43.214 40.800 -0.025 0.000 1.203 531 D HN -0.050 nan 8.370 nan 0.000 0.430 532 P HA -0.058 nan 4.420 nan 0.000 0.222 532 P C 0.018 177.296 177.300 -0.036 0.000 1.147 532 P CA 0.507 63.593 63.100 -0.022 0.000 0.790 532 P CB 0.269 31.954 31.700 -0.024 0.000 0.780 533 V N -0.042 119.842 119.914 -0.050 0.000 2.370 533 V HA 0.401 4.521 4.120 -0.000 0.000 0.283 533 V C 1.511 177.562 176.094 -0.072 0.000 1.023 533 V CA -0.225 62.021 62.300 -0.091 0.000 0.857 533 V CB 0.829 32.558 31.823 -0.158 0.000 0.985 533 V HN -0.023 nan 8.190 nan 0.000 0.443 534 A N 4.098 126.894 122.820 -0.040 0.000 1.948 534 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 534 A C 1.861 179.398 177.584 -0.078 0.000 1.177 534 A CA 2.526 54.582 52.037 0.032 0.000 0.636 534 A CB -0.680 18.398 19.000 0.129 0.000 0.815 534 A HN 0.886 nan 8.150 nan 0.000 0.449 535 N N -0.147 118.450 118.700 -0.171 0.000 2.166 535 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 535 N C 1.415 176.512 175.510 -0.689 0.000 1.019 535 N CA 1.493 54.215 53.050 -0.545 0.000 0.856 535 N CB -0.434 38.026 38.487 -0.045 0.000 0.993 535 N HN 0.274 nan 8.380 nan 0.000 0.426 536 V N 0.822 120.574 119.914 -0.271 0.000 2.358 536 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 536 V C 2.285 178.242 176.094 -0.228 0.000 1.047 536 V CA 1.518 63.686 62.300 -0.221 0.000 1.035 536 V CB -0.424 31.343 31.823 -0.094 0.000 0.658 536 V HN 0.251 nan 8.190 nan 0.000 0.452 537 R N -0.031 120.374 120.500 -0.158 0.000 2.070 537 R HA -0.176 4.163 4.340 -0.000 0.000 0.233 537 R C 2.330 178.646 176.300 0.028 0.000 1.137 537 R CA 2.199 58.277 56.100 -0.038 0.000 0.945 537 R CB -0.553 29.767 30.300 0.033 0.000 0.845 537 R HN 0.702 nan 8.270 nan 0.000 0.430 538 F N 0.474 120.485 119.950 0.101 0.000 2.365 538 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 538 F C 1.433 177.254 175.800 0.035 0.000 1.090 538 F CA 0.646 58.731 58.000 0.141 0.000 1.408 538 F CB -0.586 38.584 39.000 0.282 0.000 1.060 538 F HN -0.081 nan 8.300 nan 0.000 0.534 539 N N 1.035 119.640 118.700 -0.158 0.000 2.354 539 N HA -0.066 4.673 4.740 -0.000 0.000 0.179 539 N C 2.005 177.519 175.510 0.007 0.000 1.021 539 N CA 1.159 54.183 53.050 -0.043 0.000 0.887 539 N CB -0.005 38.395 38.487 -0.145 0.000 0.974 539 N HN 0.306 nan 8.380 nan 0.000 0.437 540 V N 1.811 121.719 119.914 -0.009 0.000 2.343 540 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 540 V C 2.495 178.628 176.094 0.065 0.000 1.051 540 V CA 1.830 64.140 62.300 0.018 0.000 1.036 540 V CB -0.792 31.037 31.823 0.010 0.000 0.654 540 V HN 0.250 nan 8.190 nan 0.000 0.451 541 A N -0.114 122.775 122.820 0.115 0.000 1.865 541 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 541 A C 2.286 179.949 177.584 0.130 0.000 1.191 541 A CA 2.069 54.194 52.037 0.147 0.000 0.623 541 A CB -0.514 18.630 19.000 0.239 0.000 0.826 541 A HN 0.518 nan 8.150 nan 0.000 0.444 542 K N -0.469 120.003 120.400 0.121 0.000 2.152 542 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 542 K C 2.363 179.011 176.600 0.080 0.000 1.048 542 K CA 1.435 57.768 56.287 0.076 0.000 0.933 542 K CB -0.225 32.281 32.500 0.009 0.000 0.721 542 K HN 0.417 nan 8.250 nan 0.000 0.447 543 S N 0.892 116.640 115.700 0.079 0.000 2.395 543 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 543 S C 1.861 176.498 174.600 0.062 0.000 1.027 543 S CA 0.543 58.787 58.200 0.074 0.000 0.965 543 S CB -0.006 63.228 63.200 0.058 0.000 0.812 543 S HN 0.162 nan 8.310 nan 0.000 0.482 544 L N 1.291 122.550 121.223 0.059 0.000 2.056 544 L HA -0.136 4.203 4.340 -0.000 0.000 0.207 544 L C 2.744 179.646 176.870 0.053 0.000 1.078 544 L CA 1.508 56.379 54.840 0.052 0.000 0.749 544 L CB -0.602 41.487 42.059 0.050 0.000 0.901 544 L HN 0.422 nan 8.230 nan 0.000 0.433 545 Q N 0.697 120.535 119.800 0.063 0.000 2.062 545 Q HA -0.328 4.012 4.340 -0.000 0.000 0.209 545 Q C 2.197 178.229 176.000 0.053 0.000 0.996 545 Q CA 2.398 58.237 55.803 0.061 0.000 0.859 545 Q CB 0.003 28.786 28.738 0.076 0.000 0.920 545 Q HN 0.167 nan 8.270 nan 0.000 0.415 546 K N 0.725 121.159 120.400 0.057 0.000 2.025 546 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 546 K C 1.931 178.559 176.600 0.047 0.000 1.049 546 K CA 1.768 58.087 56.287 0.053 0.000 0.933 546 K CB -0.388 32.148 32.500 0.060 0.000 0.714 546 K HN 0.581 nan 8.250 nan 0.000 0.438 547 I N -2.888 117.711 120.570 0.048 0.000 3.578 547 I HA 0.239 4.409 4.170 -0.000 0.000 0.295 547 I C 1.731 177.870 176.117 0.037 0.000 1.280 547 I CA 0.649 61.975 61.300 0.043 0.000 1.347 547 I CB -0.456 37.571 38.000 0.045 0.000 1.051 547 I HN 0.097 nan 8.210 nan 0.000 0.460 548 G N 2.971 111.793 108.800 0.036 0.000 2.529 548 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 548 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 548 G C -0.392 174.525 174.900 0.027 0.000 1.177 548 G CA 1.306 46.424 45.100 0.031 0.000 0.773 548 G HN 0.409 nan 8.290 nan 0.000 0.573 549 P HA -0.027 nan 4.420 nan 0.000 0.219 549 P C 1.751 179.065 177.300 0.023 0.000 1.146 549 P CA 0.531 63.645 63.100 0.024 0.000 0.808 549 P CB -0.011 31.704 31.700 0.024 0.000 0.779 550 I N -1.718 118.868 120.570 0.026 0.000 2.614 550 I HA -0.078 4.091 4.170 -0.000 0.000 0.258 550 I C 1.285 177.416 176.117 0.024 0.000 1.189 550 I CA 0.673 61.989 61.300 0.027 0.000 1.462 550 I CB -1.329 36.691 38.000 0.032 0.000 1.092 550 I HN -0.031 nan 8.210 nan 0.000 0.442 551 L N 0.332 121.568 121.223 0.022 0.000 2.375 551 L HA 0.270 4.610 4.340 -0.000 0.000 0.268 551 L C 0.703 177.582 176.870 0.015 0.000 1.058 551 L CA -0.550 54.301 54.840 0.019 0.000 0.803 551 L CB 0.859 42.929 42.059 0.018 0.000 1.212 551 L HN 0.022 nan 8.230 nan 0.000 0.451 552 D N 1.015 121.422 120.400 0.012 0.000 2.424 552 D HA -0.087 4.553 4.640 -0.000 0.000 0.244 552 D C 0.741 177.047 176.300 0.009 0.000 1.134 552 D CA 0.096 54.102 54.000 0.010 0.000 0.881 552 D CB 1.047 41.852 40.800 0.007 0.000 1.191 552 D HN 0.553 nan 8.370 nan 0.000 0.445 553 N N 1.541 120.246 118.700 0.009 0.000 2.258 553 N HA -0.230 4.510 4.740 -0.000 0.000 0.187 553 N C 1.798 177.312 175.510 0.007 0.000 1.012 553 N CA 1.888 54.943 53.050 0.008 0.000 0.870 553 N CB 0.081 38.572 38.487 0.008 0.000 0.977 553 N HN 0.377 nan 8.380 nan 0.000 0.434 554 S N -2.027 113.677 115.700 0.006 0.000 2.368 554 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 554 S C 1.949 176.552 174.600 0.004 0.000 1.029 554 S CA 1.517 59.720 58.200 0.004 0.000 0.988 554 S CB -0.904 62.298 63.200 0.003 0.000 0.838 554 S HN 0.272 nan 8.310 nan 0.000 0.462 555 T N 2.873 117.430 114.554 0.004 0.000 2.674 555 T HA 0.038 4.388 4.350 -0.000 0.000 0.265 555 T C 1.694 176.398 174.700 0.007 0.000 1.039 555 T CA 1.330 63.433 62.100 0.004 0.000 1.150 555 T CB -0.722 68.149 68.868 0.004 0.000 0.864 555 T HN 0.238 nan 8.240 nan 0.000 0.427 556 L N 1.017 122.246 121.223 0.009 0.000 2.051 556 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 556 L C 2.476 179.353 176.870 0.010 0.000 1.076 556 L CA 1.879 56.726 54.840 0.012 0.000 0.758 556 L CB -0.609 41.458 42.059 0.013 0.000 0.890 556 L HN 0.181 nan 8.230 nan 0.000 0.433 557 Q N -1.619 118.186 119.800 0.008 0.000 2.163 557 Q HA -0.057 4.282 4.340 -0.000 0.000 0.198 557 Q C 2.325 178.329 176.000 0.006 0.000 0.954 557 Q CA 1.376 57.183 55.803 0.007 0.000 0.851 557 Q CB 0.052 28.794 28.738 0.006 0.000 0.928 557 Q HN 0.670 nan 8.270 nan 0.000 0.459 558 S N -1.541 114.163 115.700 0.005 0.000 2.486 558 S HA 0.121 4.591 4.470 -0.000 0.000 0.220 558 S C 1.372 175.975 174.600 0.005 0.000 1.011 558 S CA 0.369 58.572 58.200 0.004 0.000 0.921 558 S CB 0.162 63.363 63.200 0.002 0.000 0.785 558 S HN 0.337 nan 8.310 nan 0.000 0.517 559 E N 0.513 120.717 120.200 0.006 0.000 2.280 559 E HA 0.164 4.514 4.350 -0.000 0.000 0.197 559 E C 1.926 178.532 176.600 0.010 0.000 0.913 559 E CA 0.549 56.953 56.400 0.006 0.000 0.995 559 E CB 0.067 29.769 29.700 0.004 0.000 0.991 559 E HN 0.254 nan 8.360 nan 0.000 0.484 560 V N 2.539 122.460 119.914 0.012 0.000 2.244 560 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 560 V C 2.460 178.565 176.094 0.018 0.000 1.042 560 V CA 1.954 64.265 62.300 0.017 0.000 1.006 560 V CB -0.480 31.355 31.823 0.020 0.000 0.641 560 V HN 0.194 nan 8.190 nan 0.000 0.446 561 K N 0.441 120.850 120.400 0.015 0.000 2.034 561 K HA -0.243 4.077 4.320 -0.000 0.000 0.214 561 K C -0.060 176.549 176.600 0.014 0.000 1.051 561 K CA 2.428 58.724 56.287 0.014 0.000 0.931 561 K CB -1.265 31.242 32.500 0.011 0.000 0.715 561 K HN 0.397 nan 8.250 nan 0.000 0.446 562 P HA -0.186 nan 4.420 nan 0.000 0.215 562 P C 1.411 178.720 177.300 0.016 0.000 1.157 562 P CA 1.220 64.327 63.100 0.012 0.000 0.868 562 P CB -0.045 31.661 31.700 0.010 0.000 0.788 563 I N -1.203 119.378 120.570 0.018 0.000 2.163 563 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 563 I C 2.393 178.528 176.117 0.030 0.000 1.085 563 I CA 1.585 62.898 61.300 0.022 0.000 1.347 563 I CB -1.236 36.777 38.000 0.021 0.000 1.044 563 I HN -0.021 nan 8.210 nan 0.000 0.408 564 L N 0.332 121.573 121.223 0.032 0.000 2.012 564 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 564 L C 2.528 179.418 176.870 0.033 0.000 1.073 564 L CA 1.570 56.433 54.840 0.039 0.000 0.748 564 L CB -0.582 41.499 42.059 0.036 0.000 0.891 564 L HN 0.285 nan 8.230 nan 0.000 0.431 565 E N 0.034 120.248 120.200 0.024 0.000 2.077 565 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 565 E C 2.072 178.685 176.600 0.022 0.000 0.989 565 E CA 1.341 57.752 56.400 0.019 0.000 0.800 565 E CB 0.018 29.726 29.700 0.013 0.000 0.746 565 E HN 0.215 nan 8.360 nan 0.000 0.452 566 K N 1.279 121.692 120.400 0.023 0.000 2.103 566 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 566 K C 1.760 178.379 176.600 0.032 0.000 1.048 566 K CA 1.310 57.611 56.287 0.024 0.000 0.930 566 K CB -0.308 32.204 32.500 0.022 0.000 0.716 566 K HN 0.102 nan 8.250 nan 0.000 0.444 567 L N 0.830 122.079 121.223 0.042 0.000 2.217 567 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 567 L C 2.270 179.176 176.870 0.060 0.000 1.107 567 L CA 1.435 56.311 54.840 0.060 0.000 0.783 567 L CB -0.868 41.239 42.059 0.080 0.000 0.919 567 L HN 0.444 nan 8.230 nan 0.000 0.442 568 T N -3.888 110.692 114.554 0.044 0.000 2.977 568 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 568 T C 1.637 176.354 174.700 0.029 0.000 1.105 568 T CA 0.699 62.818 62.100 0.032 0.000 1.116 568 T CB -0.110 68.767 68.868 0.015 0.000 0.878 568 T HN 0.193 nan 8.240 nan 0.000 0.509 569 Q N 1.132 120.950 119.800 0.030 0.000 2.360 569 Q HA 0.303 4.643 4.340 -0.000 0.000 0.202 569 Q C 0.078 176.097 176.000 0.031 0.000 0.915 569 Q CA 0.013 55.832 55.803 0.025 0.000 0.943 569 Q CB -0.302 28.448 28.738 0.020 0.000 1.064 569 Q HN 0.708 nan 8.270 nan 0.000 0.511 570 D N 0.168 120.594 120.400 0.043 0.000 2.423 570 D HA 0.073 4.713 4.640 -0.000 0.000 0.238 570 D C 1.319 177.646 176.300 0.045 0.000 1.142 570 D CA 0.702 54.732 54.000 0.050 0.000 0.884 570 D CB 0.865 41.709 40.800 0.074 0.000 1.199 570 D HN 0.186 nan 8.370 nan 0.000 0.438 571 Q N 2.907 122.731 119.800 0.040 0.000 2.437 571 Q HA -0.079 4.261 4.340 -0.000 0.000 0.210 571 Q C 0.526 176.550 176.000 0.040 0.000 0.972 571 Q CA 1.494 57.317 55.803 0.033 0.000 0.903 571 Q CB -0.250 28.503 28.738 0.025 0.000 0.967 571 Q HN 0.673 nan 8.270 nan 0.000 0.486 572 D N -0.535 119.901 120.400 0.059 0.000 2.308 572 D HA 0.233 4.872 4.640 -0.000 0.000 0.242 572 D C 0.905 177.252 176.300 0.077 0.000 1.059 572 D CA -0.041 54.002 54.000 0.071 0.000 0.830 572 D CB 2.061 42.921 40.800 0.100 0.000 1.161 572 D HN 0.021 nan 8.370 nan 0.000 0.494 573 V N 4.440 124.382 119.914 0.047 0.000 2.380 573 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 573 V C 1.317 177.424 176.094 0.022 0.000 1.063 573 V CA 2.069 64.383 62.300 0.022 0.000 1.055 573 V CB -0.135 31.679 31.823 -0.015 0.000 0.657 573 V HN 0.591 nan 8.190 nan 0.000 0.455 574 D N -0.609 119.811 120.400 0.033 0.000 2.194 574 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 574 D C 2.169 178.602 176.300 0.221 0.000 0.964 574 D CA 1.453 55.452 54.000 -0.001 0.000 0.846 574 D CB 0.061 40.804 40.800 -0.095 0.000 0.962 574 D HN 0.474 nan 8.370 nan 0.000 0.490 575 V N 1.458 121.552 119.914 0.300 0.000 2.307 575 V HA -0.209 3.910 4.120 -0.000 0.000 0.245 575 V C 2.523 178.755 176.094 0.230 0.000 1.045 575 V CA 1.423 63.931 62.300 0.346 0.000 1.024 575 V CB -0.418 31.560 31.823 0.258 0.000 0.651 575 V HN 0.128 nan 8.190 nan 0.000 0.449 576 K N -0.721 119.765 120.400 0.142 0.000 2.063 576 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 576 K C 2.254 178.885 176.600 0.052 0.000 1.048 576 K CA 2.084 58.421 56.287 0.084 0.000 0.928 576 K CB -0.331 32.204 32.500 0.058 0.000 0.713 576 K HN 0.553 nan 8.250 nan 0.000 0.442 577 Y N 0.025 120.255 120.300 -0.117 0.000 2.163 577 Y HA -0.186 4.364 4.550 -0.001 0.000 0.288 577 Y C 1.611 177.352 175.900 -0.264 0.000 1.136 577 Y CA 1.691 59.627 58.100 -0.273 0.000 1.147 577 Y CB -0.166 37.985 38.460 -0.516 0.000 0.987 577 Y HN -0.005 nan 8.280 nan 0.000 0.509 578 F N -0.273 119.769 119.950 0.153 0.000 2.456 578 F HA 0.034 4.561 4.527 -0.001 0.000 0.298 578 F C 2.409 178.225 175.800 0.028 0.000 1.104 578 F CA 0.722 58.781 58.000 0.098 0.000 1.435 578 F CB -1.032 38.094 39.000 0.210 0.000 1.078 578 F HN 0.165 nan 8.300 nan 0.000 0.546 579 A N -0.092 122.832 122.820 0.173 0.000 1.841 579 A HA -0.217 4.103 4.320 -0.000 0.000 0.214 579 A C 2.146 179.735 177.584 0.009 0.000 1.195 579 A CA 1.467 53.561 52.037 0.095 0.000 0.611 579 A CB -0.923 18.128 19.000 0.085 0.000 0.835 579 A HN 0.363 nan 8.150 nan 0.000 0.443 580 Q N -0.958 118.806 119.800 -0.059 0.000 2.173 580 Q HA -0.295 4.045 4.340 -0.000 0.000 0.208 580 Q C 2.053 177.964 176.000 -0.148 0.000 0.989 580 Q CA 2.000 57.734 55.803 -0.115 0.000 0.872 580 Q CB -0.162 28.471 28.738 -0.174 0.000 0.909 580 Q HN 0.816 nan 8.270 nan 0.000 0.420 581 E N 0.322 120.401 120.200 -0.201 0.000 2.046 581 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 581 E C 1.800 178.383 176.600 -0.027 0.000 0.982 581 E CA 1.270 57.572 56.400 -0.163 0.000 0.800 581 E CB -0.219 29.379 29.700 -0.169 0.000 0.756 581 E HN 0.317 nan 8.360 nan 0.000 0.449 582 A N 0.653 123.490 122.820 0.029 0.000 1.933 582 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 582 A C 2.284 179.881 177.584 0.022 0.000 1.175 582 A CA 1.440 53.506 52.037 0.048 0.000 0.628 582 A CB -0.769 18.276 19.000 0.075 0.000 0.814 582 A HN 0.355 nan 8.150 nan 0.000 0.444 583 L N -0.733 120.494 121.223 0.006 0.000 2.083 583 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 583 L C 2.787 179.653 176.870 -0.008 0.000 1.083 583 L CA 1.691 56.531 54.840 -0.000 0.000 0.752 583 L CB -0.904 41.151 42.059 -0.007 0.000 0.899 583 L HN 0.354 nan 8.230 nan 0.000 0.433 584 T N -0.666 113.875 114.554 -0.022 0.000 2.674 584 T HA -0.161 4.188 4.350 -0.000 0.000 0.265 584 T C 2.003 176.700 174.700 -0.006 0.000 1.039 584 T CA 1.403 63.490 62.100 -0.022 0.000 1.150 584 T CB -0.299 68.545 68.868 -0.041 0.000 0.864 584 T HN 0.036 nan 8.240 nan 0.000 0.427 585 V N 1.482 121.397 119.914 0.001 0.000 2.343 585 V HA -0.059 4.061 4.120 -0.000 0.000 0.247 585 V C 2.315 178.419 176.094 0.015 0.000 1.051 585 V CA 1.436 63.744 62.300 0.013 0.000 1.036 585 V CB -0.576 31.262 31.823 0.026 0.000 0.654 585 V HN 0.448 nan 8.190 nan 0.000 0.451 586 L N -0.252 120.981 121.223 0.016 0.000 2.610 586 L HA 0.089 4.429 4.340 -0.000 0.000 0.232 586 L C 1.178 178.055 176.870 0.011 0.000 1.149 586 L CA 0.303 55.153 54.840 0.017 0.000 0.872 586 L CB -0.325 41.746 42.059 0.020 0.000 0.992 586 L HN 0.372 nan 8.230 nan 0.000 0.447 587 S N 0.197 115.902 115.700 0.007 0.000 3.706 587 S HA -0.152 4.317 4.470 -0.000 0.000 0.363 587 S C 0.854 175.457 174.600 0.004 0.000 0.999 587 S CA 0.295 58.498 58.200 0.004 0.000 1.143 587 S CB -1.388 61.815 63.200 0.005 0.000 0.902 587 S HN 0.384 nan 8.310 nan 0.000 0.476 588 L N -1.135 120.091 121.223 0.004 0.000 2.693 588 L HA 0.421 4.761 4.340 -0.000 0.000 0.235 588 L C 1.160 178.031 176.870 0.001 0.000 1.127 588 L CA 0.477 55.319 54.840 0.005 0.000 0.914 588 L CB -0.023 42.041 42.059 0.008 0.000 1.193 588 L HN 0.533 nan 8.230 nan 0.000 0.502 589 A N 0.000 122.818 122.820 -0.003 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 589 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 589 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486