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 1z6t_1_C DATA FIRST_RESID 1 DATA SEQUENCE MDAKARNCLL QHREALEKDI KTSYIMDHMI SDGFLTISEE EKVRNEPTQQ DATA SEQUENCE QRAAMLIKMI LKKDNDSYVS FYNALLHEGY KDLAALLHDG IPVVSSSSGK DATA SEQUENCE DSVSGITSYV RTVLCEGGVP QRPVVFVTRK KLVNAIQQKL SKLKGEPGWV DATA SEQUENCE TIHGMAGCGK SVLAAEAVRD HSLLEGCFPG GVHWVSVGKQ DKSGLLMKLQ DATA SEQUENCE NLCTRLDQDE SFSQRLPLNI EEAKDRLRIL MLRKHPRSLL ILDDVWDSWV DATA SEQUENCE LKAFDSQCQI LLTTRDKSVT DSVMGPKYVV PVESSLGKEK GLEILSLFVN DATA SEQUENCE MKKADLPEQA HSIIKECKGS PLVVSLIGAL LRDFPNRWEY YLKQLQNKQF DATA SEQUENCE KRIRKSSSYD YEALDEAMSI SVEMLREDIK DYYTDLSILQ KDVKVPTKVL DATA SEQUENCE CILWDMETEE VEDILQEFVN KSLLFCDRNG KSFRYYLHDL QVDFLTEKNC DATA SEQUENCE SQLQDLHKKI ITQFQRYHQP HTLSPDQEDC MYWYNFLAYH MASAKMHKEL DATA SEQUENCE CALMFSLDWI KAKTELVGPA HLIHEFVEYR HILDEKDCAV SENFQEFLSL DATA SEQUENCE NGHLLGRQPF PNIVQLGLCE PETSEVYQQA KLQAKQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.262 176.300 -0.064 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.046 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.043 0.000 1.302 2 D N 1.345 121.685 120.400 -0.101 0.000 2.423 2 D HA 0.368 5.007 4.640 -0.000 0.000 0.238 2 D C 1.106 177.348 176.300 -0.095 0.000 1.142 2 D CA 0.858 54.798 54.000 -0.100 0.000 0.884 2 D CB 1.494 42.218 40.800 -0.128 0.000 1.199 2 D HN 0.751 nan 8.370 nan 0.000 0.438 3 A N 3.281 126.060 122.820 -0.068 0.000 1.883 3 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 3 A C 1.898 179.443 177.584 -0.065 0.000 1.186 3 A CA 1.614 53.619 52.037 -0.053 0.000 0.624 3 A CB -0.381 18.596 19.000 -0.039 0.000 0.822 3 A HN 0.596 nan 8.150 nan 0.000 0.444 4 K N -0.535 119.815 120.400 -0.084 0.000 2.032 4 K HA -0.250 4.070 4.320 -0.000 0.000 0.218 4 K C 2.346 178.873 176.600 -0.122 0.000 1.054 4 K CA 1.650 57.881 56.287 -0.093 0.000 0.941 4 K CB -0.455 31.977 32.500 -0.113 0.000 0.720 4 K HN 0.482 nan 8.250 nan 0.000 0.449 5 A N 1.562 124.236 122.820 -0.244 0.000 1.877 5 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 5 A C 2.149 179.687 177.584 -0.077 0.000 1.186 5 A CA 1.701 53.472 52.037 -0.442 0.000 0.620 5 A CB -0.602 17.884 19.000 -0.856 0.000 0.822 5 A HN 0.329 nan 8.150 nan 0.000 0.443 6 R N -0.193 120.283 120.500 -0.041 0.000 2.094 6 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 6 R C 1.743 178.077 176.300 0.058 0.000 1.137 6 R CA 2.129 58.253 56.100 0.040 0.000 0.943 6 R CB -0.476 29.827 30.300 0.005 0.000 0.850 6 R HN 0.519 nan 8.270 nan 0.000 0.433 7 N N 0.537 119.249 118.700 0.020 0.000 2.166 7 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 7 N C 1.896 177.425 175.510 0.032 0.000 1.019 7 N CA 1.310 54.369 53.050 0.015 0.000 0.856 7 N CB -0.916 37.567 38.487 -0.007 0.000 0.993 7 N HN 0.351 nan 8.380 nan 0.000 0.426 8 C N 0.620 119.966 119.300 0.077 0.000 2.429 8 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 8 C C 2.614 177.752 174.990 0.247 0.000 1.262 8 C CA 0.340 59.456 59.018 0.163 0.000 1.733 8 C CB -1.165 26.715 27.740 0.233 0.000 2.010 8 C HN 0.379 nan 8.230 nan 0.000 0.483 9 L N 0.789 122.186 121.223 0.290 0.000 2.056 9 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 9 L C 2.290 179.255 176.870 0.158 0.000 1.078 9 L CA 1.857 56.863 54.840 0.277 0.000 0.749 9 L CB -0.862 41.386 42.059 0.315 0.000 0.901 9 L HN 0.384 nan 8.230 nan 0.000 0.433 10 L N -0.687 120.593 121.223 0.095 0.000 2.046 10 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 10 L C 2.676 179.546 176.870 0.001 0.000 1.077 10 L CA 1.814 56.679 54.840 0.041 0.000 0.747 10 L CB -0.656 41.415 42.059 0.020 0.000 0.896 10 L HN 0.495 nan 8.230 nan 0.000 0.432 11 Q N -0.212 119.549 119.800 -0.066 0.000 2.167 11 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 11 Q C 1.453 177.322 176.000 -0.217 0.000 0.970 11 Q CA 1.716 57.400 55.803 -0.198 0.000 0.855 11 Q CB 0.006 28.524 28.738 -0.366 0.000 0.911 11 Q HN 0.617 nan 8.270 nan 0.000 0.438 12 H N -1.161 117.950 119.070 0.067 0.000 2.586 12 H HA 0.218 4.774 4.556 -0.000 0.000 0.273 12 H C 1.506 176.869 175.328 0.058 0.000 0.997 12 H CA -0.229 55.857 56.048 0.064 0.000 1.177 12 H CB 0.453 30.262 29.762 0.077 0.000 1.471 12 H HN 0.142 nan 8.280 nan 0.000 0.538 13 R N 1.231 121.817 120.500 0.143 0.000 2.159 13 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 13 R C 1.154 177.500 176.300 0.075 0.000 1.131 13 R CA 1.191 57.351 56.100 0.101 0.000 0.982 13 R CB 0.177 30.517 30.300 0.066 0.000 0.868 13 R HN 0.363 nan 8.270 nan 0.000 0.453 14 E N 0.292 120.535 120.200 0.071 0.000 2.051 14 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 14 E C 1.911 178.548 176.600 0.061 0.000 0.991 14 E CA 1.353 57.786 56.400 0.056 0.000 0.799 14 E CB -0.305 29.425 29.700 0.050 0.000 0.748 14 E HN 0.450 nan 8.360 nan 0.000 0.449 15 A N 1.300 124.171 122.820 0.085 0.000 1.902 15 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 15 A C 2.422 180.031 177.584 0.042 0.000 1.181 15 A CA 1.122 53.202 52.037 0.072 0.000 0.623 15 A CB -0.761 18.294 19.000 0.092 0.000 0.818 15 A HN 0.163 nan 8.150 nan 0.000 0.443 16 L N -0.819 120.433 121.223 0.048 0.000 2.083 16 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 16 L C 2.622 179.496 176.870 0.006 0.000 1.083 16 L CA 1.634 56.483 54.840 0.015 0.000 0.752 16 L CB -0.526 41.579 42.059 0.076 0.000 0.899 16 L HN 0.476 nan 8.230 nan 0.000 0.433 17 E N -0.022 120.194 120.200 0.027 0.000 2.028 17 E HA -0.256 4.094 4.350 -0.000 0.000 0.191 17 E C 2.068 178.676 176.600 0.013 0.000 0.988 17 E CA 1.241 57.652 56.400 0.018 0.000 0.799 17 E CB -0.003 29.710 29.700 0.022 0.000 0.755 17 E HN 0.319 nan 8.360 nan 0.000 0.447 18 K N 1.005 121.418 120.400 0.020 0.000 1.965 18 K HA -0.221 4.099 4.320 -0.000 0.000 0.220 18 K C 1.684 178.298 176.600 0.023 0.000 1.046 18 K CA 2.140 58.442 56.287 0.024 0.000 0.974 18 K CB -0.132 32.388 32.500 0.033 0.000 0.738 18 K HN -0.009 nan 8.250 nan 0.000 0.444 19 D N 1.197 121.613 120.400 0.027 0.000 2.178 19 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 19 D C 1.219 177.555 176.300 0.059 0.000 0.974 19 D CA 0.985 55.018 54.000 0.055 0.000 0.841 19 D CB -0.271 40.576 40.800 0.078 0.000 0.953 19 D HN 0.443 nan 8.370 nan 0.000 0.478 20 I N -0.691 119.841 120.570 -0.064 0.000 2.519 20 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 20 I C -0.185 175.933 176.117 0.002 0.000 1.047 20 I CA -0.692 60.494 61.300 -0.190 0.000 1.381 20 I CB 1.039 38.699 38.000 -0.566 0.000 1.417 20 I HN -0.345 nan 8.210 nan 0.000 0.540 21 K N 4.190 124.689 120.400 0.164 0.000 2.106 21 K HA 0.462 4.782 4.320 -0.000 0.000 0.246 21 K C 0.031 176.759 176.600 0.214 0.000 0.987 21 K CA -0.823 55.552 56.287 0.147 0.000 0.904 21 K CB 1.568 34.107 32.500 0.065 0.000 1.071 21 K HN 0.651 nan 8.250 nan 0.000 0.453 22 T N -0.967 113.687 114.554 0.166 0.000 2.955 22 T HA -0.049 4.301 4.350 -0.000 0.000 0.251 22 T C 1.816 176.577 174.700 0.102 0.000 1.002 22 T CA 0.293 62.468 62.100 0.125 0.000 0.970 22 T CB 0.206 69.105 68.868 0.052 0.000 1.091 22 T HN 0.677 nan 8.240 nan 0.000 0.495 23 S N 1.223 116.972 115.700 0.082 0.000 2.355 23 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 23 S C 1.691 176.163 174.600 -0.213 0.000 1.031 23 S CA 0.942 59.068 58.200 -0.124 0.000 0.993 23 S CB -0.763 62.266 63.200 -0.285 0.000 0.859 23 S HN 0.520 nan 8.310 nan 0.000 0.453 24 Y N 1.469 121.767 120.300 -0.003 0.000 2.314 24 Y HA 0.317 4.867 4.550 -0.000 0.000 0.294 24 Y C 2.290 177.947 175.900 -0.406 0.000 1.119 24 Y CA -0.130 57.836 58.100 -0.223 0.000 1.179 24 Y CB -0.554 37.805 38.460 -0.168 0.000 1.025 24 Y HN 0.161 nan 8.280 nan 0.000 0.541 25 I N -0.339 120.295 120.570 0.107 0.000 2.087 25 I HA -0.441 3.729 4.170 -0.000 0.000 0.240 25 I C 2.518 178.676 176.117 0.068 0.000 1.054 25 I CA 2.047 63.461 61.300 0.189 0.000 1.311 25 I CB -0.381 37.782 38.000 0.272 0.000 1.024 25 I HN 0.251 nan 8.210 nan 0.000 0.402 26 M N 0.926 120.543 119.600 0.029 0.000 2.106 26 M HA -0.283 4.197 4.480 -0.000 0.000 0.259 26 M C 1.593 177.856 176.300 -0.061 0.000 1.068 26 M CA 2.061 57.356 55.300 -0.007 0.000 1.100 26 M CB -0.418 32.161 32.600 -0.035 0.000 1.351 26 M HN 0.175 nan 8.290 nan 0.000 0.404 27 D N -0.811 119.487 120.400 -0.169 0.000 2.092 27 D HA -0.201 4.438 4.640 -0.000 0.000 0.193 27 D C 1.972 178.190 176.300 -0.136 0.000 0.994 27 D CA 1.639 55.521 54.000 -0.196 0.000 0.828 27 D CB -0.917 39.712 40.800 -0.285 0.000 0.963 27 D HN 0.503 nan 8.370 nan 0.000 0.450 28 H N 0.093 119.152 119.070 -0.017 0.000 2.352 28 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 28 H C 2.305 177.664 175.328 0.053 0.000 1.097 28 H CA 0.977 57.012 56.048 -0.022 0.000 1.311 28 H CB -0.437 29.281 29.762 -0.072 0.000 1.377 28 H HN 0.250 nan 8.280 nan 0.000 0.504 29 M N -0.214 119.508 119.600 0.202 0.000 2.200 29 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 29 M C 2.545 178.917 176.300 0.121 0.000 1.066 29 M CA 1.079 56.511 55.300 0.219 0.000 1.127 29 M CB -0.196 32.540 32.600 0.226 0.000 1.379 29 M HN 0.088 nan 8.290 nan 0.000 0.420 30 I N 0.098 120.701 120.570 0.055 0.000 2.208 30 I HA -0.328 3.841 4.170 -0.000 0.000 0.245 30 I C 2.843 178.952 176.117 -0.014 0.000 1.097 30 I CA 1.654 62.957 61.300 0.004 0.000 1.363 30 I CB -0.364 37.622 38.000 -0.022 0.000 1.051 30 I HN 0.381 nan 8.210 nan 0.000 0.413 31 S N 0.798 116.502 115.700 0.006 0.000 2.356 31 S HA -0.234 4.236 4.470 -0.000 0.000 0.223 31 S C 1.690 176.274 174.600 -0.025 0.000 1.032 31 S CA 1.861 60.062 58.200 0.002 0.000 1.005 31 S CB -0.350 62.876 63.200 0.043 0.000 0.867 31 S HN 0.360 nan 8.310 nan 0.000 0.449 32 D N 1.182 121.586 120.400 0.007 0.000 2.265 32 D HA 0.105 4.745 4.640 -0.000 0.000 0.208 32 D C 1.474 177.509 176.300 -0.442 0.000 0.977 32 D CA 1.308 55.265 54.000 -0.073 0.000 0.871 32 D CB -0.766 40.149 40.800 0.192 0.000 0.925 32 D HN 0.714 nan 8.370 nan 0.000 0.485 33 G N -0.656 107.950 108.800 -0.324 0.000 2.165 33 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.226 33 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.226 33 G C 0.368 174.990 174.900 -0.463 0.000 1.035 33 G CA -0.077 44.796 45.100 -0.378 0.000 0.744 33 G HN 0.296 nan 8.290 nan 0.000 0.501 34 F N -1.309 118.661 119.950 0.032 0.000 2.706 34 F HA 0.630 5.157 4.527 -0.000 0.000 0.313 34 F C 0.775 176.582 175.800 0.012 0.000 1.096 34 F CA -0.474 57.543 58.000 0.029 0.000 1.219 34 F CB 0.606 39.636 39.000 0.050 0.000 1.051 34 F HN 0.276 nan 8.300 nan 0.000 0.568 35 L N -0.610 120.689 121.223 0.127 0.000 2.303 35 L HA 0.795 5.135 4.340 -0.000 0.000 0.256 35 L C -0.073 176.809 176.870 0.020 0.000 1.034 35 L CA -0.350 54.528 54.840 0.064 0.000 0.832 35 L CB 2.109 44.199 42.059 0.053 0.000 1.403 35 L HN 0.033 nan 8.230 nan 0.000 0.419 36 T N -1.576 112.980 114.554 0.004 0.000 2.907 36 T HA 0.457 4.807 4.350 -0.000 0.000 0.290 36 T C 0.941 175.629 174.700 -0.020 0.000 1.066 36 T CA -0.738 61.356 62.100 -0.010 0.000 1.012 36 T CB 0.866 69.728 68.868 -0.009 0.000 1.184 36 T HN 0.382 nan 8.240 nan 0.000 0.522 37 I N 1.407 121.961 120.570 -0.026 0.000 2.353 37 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 37 I C 2.954 179.052 176.117 -0.032 0.000 1.119 37 I CA 1.770 63.050 61.300 -0.034 0.000 1.417 37 I CB -1.520 36.459 38.000 -0.036 0.000 1.078 37 I HN 0.921 nan 8.210 nan 0.000 0.421 38 S N 0.728 116.413 115.700 -0.026 0.000 2.383 38 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 38 S C 1.747 176.332 174.600 -0.026 0.000 1.030 38 S CA 1.188 59.373 58.200 -0.025 0.000 1.002 38 S CB -0.575 62.613 63.200 -0.020 0.000 0.829 38 S HN 0.509 nan 8.310 nan 0.000 0.467 39 E N 1.126 121.311 120.200 -0.025 0.000 2.047 39 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 39 E C 2.282 178.862 176.600 -0.032 0.000 0.987 39 E CA 1.130 57.514 56.400 -0.027 0.000 0.799 39 E CB -0.213 29.473 29.700 -0.024 0.000 0.752 39 E HN 0.766 nan 8.360 nan 0.000 0.449 40 E N 1.240 121.419 120.200 -0.035 0.000 2.058 40 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 40 E C 2.004 178.578 176.600 -0.043 0.000 0.997 40 E CA 1.153 57.528 56.400 -0.042 0.000 0.801 40 E CB 0.053 29.722 29.700 -0.051 0.000 0.746 40 E HN 0.177 nan 8.360 nan 0.000 0.450 41 E N 0.514 120.689 120.200 -0.042 0.000 2.097 41 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 41 E C 2.070 178.649 176.600 -0.035 0.000 1.000 41 E CA 1.677 58.053 56.400 -0.040 0.000 0.804 41 E CB -0.022 29.656 29.700 -0.037 0.000 0.740 41 E HN 0.089 nan 8.360 nan 0.000 0.454 42 K N -0.305 120.076 120.400 -0.031 0.000 2.147 42 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 42 K C 1.776 178.360 176.600 -0.028 0.000 1.049 42 K CA 1.276 57.546 56.287 -0.028 0.000 0.936 42 K CB 0.198 32.682 32.500 -0.026 0.000 0.722 42 K HN 0.025 nan 8.250 nan 0.000 0.446 43 V N 0.373 120.268 119.914 -0.031 0.000 2.599 43 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 43 V C 2.323 178.401 176.094 -0.028 0.000 1.046 43 V CA 1.275 63.557 62.300 -0.029 0.000 1.065 43 V CB -0.386 31.418 31.823 -0.031 0.000 0.703 43 V HN 0.310 nan 8.190 nan 0.000 0.464 44 R N 0.777 121.257 120.500 -0.034 0.000 2.120 44 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 44 R C 2.165 178.447 176.300 -0.031 0.000 1.123 44 R CA 1.585 57.664 56.100 -0.036 0.000 0.975 44 R CB -0.214 30.057 30.300 -0.048 0.000 0.866 44 R HN 0.502 nan 8.270 nan 0.000 0.446 45 N N 1.027 119.709 118.700 -0.029 0.000 2.192 45 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 45 N C -0.156 175.342 175.510 -0.020 0.000 1.013 45 N CA 1.016 54.051 53.050 -0.025 0.000 0.863 45 N CB -0.164 38.309 38.487 -0.023 0.000 0.990 45 N HN 0.224 nan 8.380 nan 0.000 0.430 46 E N 0.514 120.703 120.200 -0.019 0.000 2.344 46 E HA 0.059 4.409 4.350 -0.000 0.000 0.270 46 E C -1.396 175.197 176.600 -0.012 0.000 1.021 46 E CA -1.586 54.805 56.400 -0.014 0.000 0.887 46 E CB 0.638 30.330 29.700 -0.013 0.000 0.997 46 E HN 0.160 nan 8.360 nan 0.000 0.429 47 P HA -0.084 nan 4.420 nan 0.000 0.219 47 P C 0.509 177.806 177.300 -0.005 0.000 1.150 47 P CA 1.213 64.309 63.100 -0.007 0.000 0.814 47 P CB 0.272 31.970 31.700 -0.004 0.000 0.787 48 T N -4.886 109.666 114.554 -0.003 0.000 2.927 48 T HA 0.278 4.628 4.350 -0.000 0.000 0.286 48 T C 0.938 175.636 174.700 -0.003 0.000 1.040 48 T CA -0.707 61.393 62.100 -0.001 0.000 1.010 48 T CB 1.652 70.522 68.868 0.003 0.000 1.177 48 T HN -0.095 nan 8.240 nan 0.000 0.546 49 Q N -0.396 119.403 119.800 -0.002 0.000 2.245 49 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 49 Q C 2.029 178.030 176.000 0.002 0.000 0.955 49 Q CA 1.034 56.836 55.803 -0.003 0.000 0.870 49 Q CB -0.095 28.638 28.738 -0.008 0.000 0.945 49 Q HN 0.775 nan 8.270 nan 0.000 0.461 50 Q N -0.124 119.678 119.800 0.004 0.000 2.123 50 Q HA -0.159 4.181 4.340 -0.000 0.000 0.199 50 Q C 1.960 177.962 176.000 0.003 0.000 0.966 50 Q CA 1.192 56.998 55.803 0.006 0.000 0.845 50 Q CB 0.080 28.824 28.738 0.010 0.000 0.907 50 Q HN 0.504 nan 8.270 nan 0.000 0.439 51 Q N 0.217 120.017 119.800 0.000 0.000 2.230 51 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 51 Q C 1.988 177.984 176.000 -0.007 0.000 0.963 51 Q CA 0.710 56.511 55.803 -0.003 0.000 0.866 51 Q CB 0.126 28.861 28.738 -0.004 0.000 0.931 51 Q HN 0.265 nan 8.270 nan 0.000 0.452 52 R N 0.171 120.667 120.500 -0.006 0.000 2.062 52 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 52 R C 2.280 178.575 176.300 -0.009 0.000 1.128 52 R CA 1.167 57.261 56.100 -0.009 0.000 0.960 52 R CB -0.308 29.989 30.300 -0.004 0.000 0.855 52 R HN 0.163 nan 8.270 nan 0.000 0.432 53 A N 1.488 124.306 122.820 -0.003 0.000 1.855 53 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 53 A C 2.425 180.003 177.584 -0.011 0.000 1.191 53 A CA 1.609 53.645 52.037 -0.000 0.000 0.613 53 A CB -0.914 18.089 19.000 0.005 0.000 0.829 53 A HN 0.376 nan 8.150 nan 0.000 0.442 54 A N -0.718 122.098 122.820 -0.006 0.000 1.915 54 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 54 A C 2.243 179.813 177.584 -0.024 0.000 1.198 54 A CA 2.865 54.896 52.037 -0.009 0.000 0.647 54 A CB -0.636 18.362 19.000 -0.004 0.000 0.825 54 A HN 0.682 nan 8.150 nan 0.000 0.456 55 M N -0.940 118.644 119.600 -0.026 0.000 2.067 55 M HA -0.090 4.390 4.480 -0.000 0.000 0.260 55 M C 1.935 178.203 176.300 -0.053 0.000 1.069 55 M CA 2.160 57.440 55.300 -0.033 0.000 1.117 55 M CB -0.539 32.044 32.600 -0.028 0.000 1.334 55 M HN 0.383 nan 8.290 nan 0.000 0.407 56 L N -0.051 121.132 121.223 -0.066 0.000 2.056 56 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 56 L C 2.102 178.859 176.870 -0.189 0.000 1.078 56 L CA 1.778 56.550 54.840 -0.113 0.000 0.749 56 L CB -0.673 41.324 42.059 -0.104 0.000 0.901 56 L HN 0.458 nan 8.230 nan 0.000 0.433 57 I N -0.243 120.225 120.570 -0.170 0.000 2.127 57 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 57 I C 2.558 178.603 176.117 -0.121 0.000 1.075 57 I CA 1.665 62.854 61.300 -0.184 0.000 1.334 57 I CB -0.436 37.521 38.000 -0.071 0.000 1.040 57 I HN 0.282 nan 8.210 nan 0.000 0.405 58 K N 0.678 121.035 120.400 -0.073 0.000 2.189 58 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 58 K C 2.041 178.606 176.600 -0.059 0.000 1.046 58 K CA 1.859 58.117 56.287 -0.049 0.000 0.928 58 K CB -0.045 32.434 32.500 -0.036 0.000 0.720 58 K HN 0.332 nan 8.250 nan 0.000 0.458 59 M N -0.860 118.690 119.600 -0.084 0.000 2.357 59 M HA 0.003 4.483 4.480 -0.000 0.000 0.266 59 M C 2.033 178.280 176.300 -0.088 0.000 1.095 59 M CA 1.049 56.304 55.300 -0.075 0.000 1.156 59 M CB -0.101 32.454 32.600 -0.076 0.000 1.365 59 M HN 0.036 nan 8.290 nan 0.000 0.447 60 I N 0.971 121.450 120.570 -0.152 0.000 2.439 60 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 60 I C 2.173 178.248 176.117 -0.071 0.000 1.139 60 I CA 1.003 62.206 61.300 -0.162 0.000 1.438 60 I CB -0.261 37.515 38.000 -0.373 0.000 1.085 60 I HN 0.215 nan 8.210 nan 0.000 0.427 61 L N 0.552 121.745 121.223 -0.051 0.000 2.189 61 L HA -0.243 4.097 4.340 -0.000 0.000 0.214 61 L C 2.119 178.990 176.870 0.001 0.000 1.097 61 L CA 1.517 56.358 54.840 0.002 0.000 0.764 61 L CB -0.541 41.519 42.059 0.002 0.000 0.900 61 L HN 0.187 nan 8.230 nan 0.000 0.436 62 K N -0.260 120.132 120.400 -0.013 0.000 2.487 62 K HA 0.047 4.367 4.320 -0.000 0.000 0.192 62 K C 0.338 176.938 176.600 -0.001 0.000 1.027 62 K CA 0.341 56.624 56.287 -0.007 0.000 1.054 62 K CB 0.157 32.651 32.500 -0.010 0.000 0.824 62 K HN 0.342 nan 8.250 nan 0.000 0.510 63 K N 1.327 121.726 120.400 -0.002 0.000 2.267 63 K HA 0.086 4.406 4.320 -0.000 0.000 0.236 63 K C -0.101 176.497 176.600 -0.004 0.000 1.030 63 K CA -0.905 55.384 56.287 0.003 0.000 0.930 63 K CB 0.613 33.111 32.500 -0.004 0.000 1.182 63 K HN -0.012 nan 8.250 nan 0.000 0.474 64 D N -0.049 120.342 120.400 -0.015 0.000 2.414 64 D HA -0.025 4.615 4.640 -0.000 0.000 0.251 64 D C 0.332 176.597 176.300 -0.059 0.000 1.252 64 D CA -0.231 53.751 54.000 -0.030 0.000 0.999 64 D CB 0.372 41.167 40.800 -0.009 0.000 1.093 64 D HN 0.295 nan 8.370 nan 0.000 0.515 65 N N 0.077 118.742 118.700 -0.059 0.000 2.166 65 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 65 N C 1.085 176.551 175.510 -0.073 0.000 1.019 65 N CA 1.274 54.284 53.050 -0.067 0.000 0.856 65 N CB -0.367 38.077 38.487 -0.073 0.000 0.993 65 N HN 0.495 nan 8.380 nan 0.000 0.426 66 D N -0.486 119.823 120.400 -0.153 0.000 2.183 66 D HA 0.006 4.646 4.640 -0.000 0.000 0.203 66 D C 1.865 177.816 176.300 -0.583 0.000 0.969 66 D CA 0.782 54.628 54.000 -0.256 0.000 0.842 66 D CB -0.039 40.668 40.800 -0.155 0.000 0.957 66 D HN 0.087 nan 8.370 nan 0.000 0.484 67 S N -0.152 115.083 115.700 -0.775 0.000 2.368 67 S HA -0.204 4.266 4.470 -0.000 0.000 0.225 67 S C 1.672 176.202 174.600 -0.116 0.000 1.030 67 S CA 0.593 58.404 58.200 -0.648 0.000 0.999 67 S CB -0.458 62.521 63.200 -0.369 0.000 0.844 67 S HN 0.354 nan 8.310 nan 0.000 0.459 68 Y N 2.585 122.817 120.300 -0.113 0.000 2.081 68 Y HA -0.258 4.292 4.550 -0.000 0.000 0.280 68 Y C 2.270 178.238 175.900 0.113 0.000 1.163 68 Y CA 1.622 59.753 58.100 0.052 0.000 1.135 68 Y CB -0.629 37.836 38.460 0.008 0.000 0.970 68 Y HN 0.042 nan 8.280 nan 0.000 0.498 69 V N -0.789 119.279 119.914 0.257 0.000 2.358 69 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 69 V C 2.625 178.839 176.094 0.201 0.000 1.047 69 V CA 1.922 64.357 62.300 0.225 0.000 1.035 69 V CB -1.127 30.783 31.823 0.145 0.000 0.658 69 V HN 0.546 nan 8.190 nan 0.000 0.452 70 S N -0.083 115.689 115.700 0.121 0.000 2.359 70 S HA -0.266 4.204 4.470 -0.000 0.000 0.224 70 S C 1.972 176.706 174.600 0.223 0.000 1.035 70 S CA 2.141 60.453 58.200 0.186 0.000 1.018 70 S CB -0.492 62.838 63.200 0.217 0.000 0.876 70 S HN 0.565 nan 8.310 nan 0.000 0.448 71 F N 1.355 121.317 119.950 0.020 0.000 2.134 71 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 71 F C 2.004 177.795 175.800 -0.014 0.000 1.097 71 F CA 1.478 59.472 58.000 -0.008 0.000 1.264 71 F CB -1.242 37.710 39.000 -0.081 0.000 1.001 71 F HN 0.439 nan 8.300 nan 0.000 0.479 72 Y N 1.317 121.446 120.300 -0.285 0.000 2.165 72 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 72 Y C 2.259 178.064 175.900 -0.160 0.000 1.155 72 Y CA 2.384 60.297 58.100 -0.312 0.000 1.164 72 Y CB -0.807 37.550 38.460 -0.171 0.000 0.978 72 Y HN 0.069 nan 8.280 nan 0.000 0.513 73 N N 0.227 118.856 118.700 -0.118 0.000 2.250 73 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 73 N C 2.010 177.456 175.510 -0.106 0.000 1.017 73 N CA 1.087 54.054 53.050 -0.137 0.000 0.866 73 N CB -0.500 38.014 38.487 0.045 0.000 0.985 73 N HN 0.508 nan 8.380 nan 0.000 0.429 74 A N 1.723 124.528 122.820 -0.025 0.000 1.892 74 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 74 A C 2.351 179.963 177.584 0.046 0.000 1.188 74 A CA 1.098 53.171 52.037 0.060 0.000 0.631 74 A CB -0.886 18.259 19.000 0.241 0.000 0.822 74 A HN 0.222 nan 8.150 nan 0.000 0.447 75 L N -0.815 120.335 121.223 -0.122 0.000 2.079 75 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 75 L C 2.587 179.439 176.870 -0.030 0.000 1.081 75 L CA 1.049 55.843 54.840 -0.076 0.000 0.752 75 L CB -0.477 41.370 42.059 -0.353 0.000 0.896 75 L HN 0.398 nan 8.230 nan 0.000 0.433 76 L N -1.533 119.570 121.223 -0.201 0.000 2.044 76 L HA -0.208 4.132 4.340 -0.000 0.000 0.205 76 L C 2.748 179.552 176.870 -0.109 0.000 1.075 76 L CA 0.884 55.606 54.840 -0.197 0.000 0.747 76 L CB -0.903 40.966 42.059 -0.317 0.000 0.903 76 L HN 0.334 nan 8.230 nan 0.000 0.435 77 H N 0.967 119.905 119.070 -0.220 0.000 2.362 77 H HA -0.209 4.347 4.556 -0.000 0.000 0.294 77 H C 1.578 176.807 175.328 -0.165 0.000 1.113 77 H CA 1.673 57.570 56.048 -0.251 0.000 1.253 77 H CB 0.271 29.743 29.762 -0.483 0.000 1.363 77 H HN 0.267 nan 8.280 nan 0.000 0.494 78 E N -0.607 119.673 120.200 0.134 0.000 2.465 78 E HA 0.119 4.469 4.350 -0.000 0.000 0.191 78 E C 1.146 177.639 176.600 -0.179 0.000 1.053 78 E CA 0.611 57.053 56.400 0.071 0.000 0.869 78 E CB -0.044 29.808 29.700 0.254 0.000 0.977 78 E HN 0.685 nan 8.360 nan 0.000 0.483 79 G N 1.293 109.989 108.800 -0.172 0.000 2.137 79 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.237 79 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.237 79 G C -0.197 174.531 174.900 -0.286 0.000 1.002 79 G CA -0.145 44.809 45.100 -0.243 0.000 0.702 79 G HN 0.248 nan 8.290 nan 0.000 0.515 80 Y N 0.529 120.794 120.300 -0.059 0.000 2.812 80 Y HA 0.359 4.909 4.550 -0.000 0.000 0.354 80 Y C 1.807 177.654 175.900 -0.087 0.000 1.276 80 Y CA -0.093 57.973 58.100 -0.058 0.000 1.639 80 Y CB 0.515 38.936 38.460 -0.065 0.000 1.741 80 Y HN 0.261 nan 8.280 nan 0.000 0.479 81 K N 0.405 120.817 120.400 0.020 0.000 2.044 81 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 81 K C 0.787 177.394 176.600 0.012 0.000 1.049 81 K CA 2.250 58.531 56.287 -0.011 0.000 0.927 81 K CB 0.192 32.679 32.500 -0.023 0.000 0.713 81 K HN 0.501 nan 8.250 nan 0.000 0.443 82 D N 0.391 120.812 120.400 0.034 0.000 2.137 82 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 82 D C 2.069 178.372 176.300 0.006 0.000 0.970 82 D CA 0.721 54.734 54.000 0.023 0.000 0.837 82 D CB -0.150 40.670 40.800 0.032 0.000 0.981 82 D HN 0.205 nan 8.370 nan 0.000 0.475 83 L N 0.897 122.131 121.223 0.018 0.000 2.083 83 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 83 L C 2.492 179.330 176.870 -0.054 0.000 1.083 83 L CA 1.080 55.899 54.840 -0.034 0.000 0.752 83 L CB -0.411 41.615 42.059 -0.055 0.000 0.899 83 L HN -0.024 nan 8.230 nan 0.000 0.433 84 A N -0.064 122.736 122.820 -0.034 0.000 1.969 84 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 84 A C 2.516 180.230 177.584 0.217 0.000 1.169 84 A CA 1.458 53.499 52.037 0.007 0.000 0.635 84 A CB -0.525 18.347 19.000 -0.213 0.000 0.810 84 A HN 0.393 nan 8.150 nan 0.000 0.445 85 A N -0.092 122.792 122.820 0.108 0.000 1.969 85 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 85 A C 2.085 179.708 177.584 0.064 0.000 1.169 85 A CA 1.353 53.453 52.037 0.106 0.000 0.635 85 A CB -0.508 18.506 19.000 0.024 0.000 0.810 85 A HN 0.480 nan 8.150 nan 0.000 0.445 86 L N -0.885 120.295 121.223 -0.072 0.000 2.141 86 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 86 L C 2.256 179.040 176.870 -0.142 0.000 1.094 86 L CA 0.778 55.421 54.840 -0.328 0.000 0.763 86 L CB -0.474 41.133 42.059 -0.752 0.000 0.908 86 L HN 0.342 nan 8.230 nan 0.000 0.437 87 L N -1.165 120.082 121.223 0.042 0.000 2.395 87 L HA -0.137 4.203 4.340 -0.000 0.000 0.218 87 L C 2.447 179.432 176.870 0.192 0.000 1.130 87 L CA 0.339 55.284 54.840 0.174 0.000 0.826 87 L CB -0.533 41.570 42.059 0.074 0.000 0.941 87 L HN 0.300 nan 8.230 nan 0.000 0.451 88 H N 0.775 119.884 119.070 0.064 0.000 2.319 88 H HA -0.232 4.323 4.556 -0.000 0.000 0.297 88 H C 1.793 177.084 175.328 -0.062 0.000 1.097 88 H CA 2.235 58.233 56.048 -0.084 0.000 1.285 88 H CB 0.173 29.953 29.762 0.031 0.000 1.368 88 H HN 0.276 nan 8.280 nan 0.000 0.495 89 D N -0.907 119.545 120.400 0.086 0.000 2.234 89 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 89 D C 2.117 178.393 176.300 -0.039 0.000 0.962 89 D CA 1.101 55.122 54.000 0.036 0.000 0.855 89 D CB -0.347 40.523 40.800 0.116 0.000 0.951 89 D HN 0.607 nan 8.370 nan 0.000 0.500 90 G N 0.872 109.683 108.800 0.020 0.000 2.679 90 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.212 90 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.212 90 G C 0.917 175.620 174.900 -0.328 0.000 1.137 90 G CA -0.271 44.784 45.100 -0.076 0.000 0.787 90 G HN 0.197 nan 8.290 nan 0.000 0.534 91 I N 2.281 122.721 120.570 -0.216 0.000 2.742 91 I HA 0.044 4.214 4.170 -0.000 0.000 0.287 91 I C -1.846 174.097 176.117 -0.290 0.000 1.186 91 I CA -1.305 59.840 61.300 -0.258 0.000 1.417 91 I CB 0.882 38.661 38.000 -0.368 0.000 1.377 91 I HN -0.026 nan 8.210 nan 0.000 0.556 92 P HA 0.020 nan 4.420 nan 0.000 0.271 92 P C 0.878 178.093 177.300 -0.141 0.000 1.220 92 P CA -0.201 62.770 63.100 -0.213 0.000 0.768 92 P CB 0.829 32.408 31.700 -0.202 0.000 0.848 93 V N 3.673 123.517 119.914 -0.116 0.000 2.407 93 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 93 V C 2.225 178.282 176.094 -0.061 0.000 1.055 93 V CA 1.736 63.985 62.300 -0.085 0.000 1.049 93 V CB -0.705 31.077 31.823 -0.068 0.000 0.662 93 V HN 0.377 nan 8.190 nan 0.000 0.455 94 V N 0.259 120.139 119.914 -0.056 0.000 2.867 94 V HA -0.132 3.988 4.120 -0.000 0.000 0.260 94 V C 1.751 177.830 176.094 -0.026 0.000 1.099 94 V CA 1.950 64.228 62.300 -0.037 0.000 1.122 94 V CB -0.406 31.397 31.823 -0.034 0.000 0.708 94 V HN 0.616 nan 8.190 nan 0.000 0.490 95 S N -1.587 114.091 115.700 -0.036 0.000 2.593 95 S HA 0.129 4.599 4.470 -0.000 0.000 0.236 95 S C 1.768 176.363 174.600 -0.008 0.000 0.991 95 S CA 0.111 58.302 58.200 -0.015 0.000 0.963 95 S CB 0.745 63.931 63.200 -0.023 0.000 0.865 95 S HN 0.429 nan 8.310 nan 0.000 0.488 96 S N 1.927 117.612 115.700 -0.026 0.000 2.370 96 S HA 0.024 4.494 4.470 -0.000 0.000 0.226 96 S C 0.990 175.592 174.600 0.004 0.000 1.033 96 S CA 0.876 59.055 58.200 -0.035 0.000 1.011 96 S CB 0.037 63.209 63.200 -0.047 0.000 0.852 96 S HN 0.466 nan 8.310 nan 0.000 0.457 97 S N 1.137 116.846 115.700 0.015 0.000 2.789 97 S HA 0.463 4.933 4.470 -0.000 0.000 0.286 97 S C -0.229 174.396 174.600 0.041 0.000 1.153 97 S CA -0.882 57.338 58.200 0.033 0.000 1.084 97 S CB 0.925 64.133 63.200 0.013 0.000 1.036 97 S HN 0.425 nan 8.310 nan 0.000 0.484 98 S N 3.380 119.119 115.700 0.066 0.000 2.608 98 S HA 0.409 4.879 4.470 -0.000 0.000 0.261 98 S C 1.641 176.282 174.600 0.068 0.000 1.314 98 S CA -0.052 58.195 58.200 0.080 0.000 0.992 98 S CB 0.343 63.617 63.200 0.123 0.000 0.935 98 S HN 0.902 nan 8.310 nan 0.000 0.564 99 G N 0.104 108.947 108.800 0.071 0.000 2.516 99 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.221 99 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.221 99 G C 1.283 176.216 174.900 0.055 0.000 1.107 99 G CA 0.943 46.077 45.100 0.056 0.000 0.747 99 G HN 0.739 nan 8.290 nan 0.000 0.567 100 K N 0.059 120.500 120.400 0.068 0.000 2.021 100 K HA 0.006 4.325 4.320 -0.000 0.000 0.205 100 K C 2.153 178.785 176.600 0.053 0.000 1.047 100 K CA 1.210 57.536 56.287 0.064 0.000 0.943 100 K CB -0.059 32.489 32.500 0.079 0.000 0.725 100 K HN 0.071 nan 8.250 nan 0.000 0.439 101 D N 0.127 120.560 120.400 0.055 0.000 2.133 101 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 101 D C 1.888 178.202 176.300 0.024 0.000 0.997 101 D CA 1.699 55.723 54.000 0.040 0.000 0.840 101 D CB -0.301 40.524 40.800 0.041 0.000 0.947 101 D HN 0.291 nan 8.370 nan 0.000 0.452 102 S N -0.211 115.503 115.700 0.022 0.000 2.377 102 S HA -0.219 4.251 4.470 -0.000 0.000 0.224 102 S C 2.031 176.640 174.600 0.015 0.000 1.042 102 S CA 1.974 60.181 58.200 0.012 0.000 1.086 102 S CB -0.846 62.364 63.200 0.017 0.000 0.995 102 S HN 0.161 nan 8.310 nan 0.000 0.428 103 V N 2.339 122.268 119.914 0.025 0.000 3.590 103 V HA 0.081 4.201 4.120 -0.000 0.000 0.265 103 V C 2.840 178.956 176.094 0.037 0.000 1.239 103 V CA 0.896 63.213 62.300 0.028 0.000 1.117 103 V CB -0.419 31.421 31.823 0.029 0.000 0.818 103 V HN 0.781 nan 8.190 nan 0.000 0.451 104 S N 1.220 116.944 115.700 0.040 0.000 2.368 104 S HA 0.059 4.529 4.470 -0.000 0.000 0.224 104 S C 1.929 176.556 174.600 0.045 0.000 1.029 104 S CA 1.381 59.608 58.200 0.045 0.000 0.988 104 S CB -0.317 62.908 63.200 0.042 0.000 0.838 104 S HN 1.278 nan 8.310 nan 0.000 0.462 105 G N 0.922 109.748 108.800 0.043 0.000 2.157 105 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.248 105 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.248 105 G C 0.005 174.953 174.900 0.080 0.000 0.979 105 G CA 0.230 45.368 45.100 0.062 0.000 0.650 105 G HN 0.635 nan 8.290 nan 0.000 0.529 106 I N 2.810 123.411 120.570 0.051 0.000 2.306 106 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 106 I C 1.050 177.201 176.117 0.057 0.000 1.036 106 I CA -0.073 61.252 61.300 0.041 0.000 1.221 106 I CB 0.966 38.959 38.000 -0.013 0.000 1.385 106 I HN 0.263 nan 8.210 nan 0.000 0.472 107 T N 0.492 115.113 114.554 0.113 0.000 2.910 107 T HA 0.304 4.654 4.350 -0.000 0.000 0.279 107 T C 1.155 175.938 174.700 0.139 0.000 0.989 107 T CA -0.670 61.509 62.100 0.132 0.000 0.968 107 T CB 1.584 70.557 68.868 0.175 0.000 1.135 107 T HN 0.375 nan 8.240 nan 0.000 0.562 108 S N -0.398 115.408 115.700 0.175 0.000 2.368 108 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 108 S C 1.543 176.236 174.600 0.156 0.000 1.030 108 S CA 1.270 59.566 58.200 0.160 0.000 0.999 108 S CB -0.957 62.422 63.200 0.298 0.000 0.844 108 S HN 0.696 nan 8.310 nan 0.000 0.459 109 Y N 2.624 123.002 120.300 0.130 0.000 2.069 109 Y HA -0.258 4.292 4.550 -0.000 0.000 0.278 109 Y C 2.285 178.208 175.900 0.039 0.000 1.175 109 Y CA 1.542 59.706 58.100 0.107 0.000 1.134 109 Y CB -0.807 37.778 38.460 0.208 0.000 0.965 109 Y HN 0.029 nan 8.280 nan 0.000 0.498 110 V N 0.856 120.820 119.914 0.083 0.000 2.287 110 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 110 V C 2.471 178.461 176.094 -0.174 0.000 1.053 110 V CA 2.396 64.646 62.300 -0.084 0.000 1.027 110 V CB -0.637 31.210 31.823 0.040 0.000 0.646 110 V HN 0.378 nan 8.190 nan 0.000 0.447 111 R N -0.400 120.020 120.500 -0.134 0.000 2.091 111 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 111 R C 2.396 178.571 176.300 -0.209 0.000 1.136 111 R CA 2.014 57.995 56.100 -0.198 0.000 0.959 111 R CB -0.734 29.459 30.300 -0.178 0.000 0.856 111 R HN 0.536 nan 8.270 nan 0.000 0.437 112 T N 0.684 115.128 114.554 -0.184 0.000 2.701 112 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 112 T C 2.044 176.606 174.700 -0.229 0.000 1.040 112 T CA 1.325 63.317 62.100 -0.181 0.000 1.147 112 T CB -0.295 68.492 68.868 -0.134 0.000 0.865 112 T HN -0.028 nan 8.240 nan 0.000 0.426 113 V N 1.870 121.586 119.914 -0.329 0.000 2.278 113 V HA -0.190 3.930 4.120 -0.000 0.000 0.251 113 V C 2.541 178.464 176.094 -0.285 0.000 1.062 113 V CA 1.691 63.779 62.300 -0.353 0.000 1.038 113 V CB -0.737 30.771 31.823 -0.525 0.000 0.646 113 V HN 0.445 nan 8.190 nan 0.000 0.447 114 L N -0.164 120.899 121.223 -0.266 0.000 2.056 114 L HA -0.191 4.148 4.340 -0.000 0.000 0.207 114 L C 2.817 179.543 176.870 -0.241 0.000 1.078 114 L CA 1.853 56.547 54.840 -0.244 0.000 0.749 114 L CB -0.935 40.976 42.059 -0.247 0.000 0.901 114 L HN 0.662 nan 8.230 nan 0.000 0.433 115 C N 0.305 119.465 119.300 -0.235 0.000 2.432 115 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 115 C C 2.414 177.301 174.990 -0.172 0.000 1.249 115 C CA 0.758 59.650 59.018 -0.211 0.000 1.725 115 C CB -0.696 26.924 27.740 -0.200 0.000 2.028 115 C HN 0.514 nan 8.230 nan 0.000 0.477 116 E N 0.551 120.654 120.200 -0.163 0.000 2.086 116 E HA -0.157 4.193 4.350 -0.000 0.000 0.200 116 E C 2.287 178.803 176.600 -0.141 0.000 1.012 116 E CA 1.722 58.046 56.400 -0.126 0.000 0.812 116 E CB -0.545 29.081 29.700 -0.123 0.000 0.743 116 E HN 0.848 nan 8.360 nan 0.000 0.453 117 G N -0.745 107.910 108.800 -0.243 0.000 2.920 117 G HA2 0.100 4.060 3.960 -0.000 0.000 0.208 117 G HA3 0.100 4.060 3.960 -0.000 0.000 0.208 117 G C 0.975 175.828 174.900 -0.077 0.000 1.159 117 G CA 0.302 45.231 45.100 -0.283 0.000 0.784 117 G HN 0.433 nan 8.290 nan 0.000 0.535 118 G N -0.831 107.902 108.800 -0.112 0.000 2.176 118 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.252 118 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.252 118 G C 0.178 174.914 174.900 -0.273 0.000 1.024 118 G CA 0.071 45.093 45.100 -0.131 0.000 0.755 118 G HN 0.681 nan 8.290 nan 0.000 0.507 119 V N 1.320 121.048 119.914 -0.312 0.000 2.508 119 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 119 V C -1.085 174.606 176.094 -0.671 0.000 1.041 119 V CA -1.209 60.758 62.300 -0.556 0.000 1.016 119 V CB 1.108 32.761 31.823 -0.282 0.000 0.984 119 V HN 0.183 nan 8.190 nan 0.000 0.478 120 P HA 0.062 nan 4.420 nan 0.000 0.265 120 P C -0.272 176.788 177.300 -0.399 0.000 1.187 120 P CA -0.003 62.742 63.100 -0.591 0.000 0.766 120 P CB 0.385 31.729 31.700 -0.593 0.000 0.820 121 Q N 1.701 121.337 119.800 -0.274 0.000 2.524 121 Q HA 0.107 4.447 4.340 -0.000 0.000 0.246 121 Q C 0.483 176.399 176.000 -0.140 0.000 1.063 121 Q CA 0.352 56.035 55.803 -0.200 0.000 0.945 121 Q CB 0.247 28.950 28.738 -0.059 0.000 1.292 121 Q HN 0.276 nan 8.270 nan 0.000 0.518 122 R N 1.933 122.350 120.500 -0.139 0.000 2.698 122 R HA 0.047 4.387 4.340 -0.000 0.000 0.266 122 R C -1.914 174.411 176.300 0.042 0.000 1.026 122 R CA -1.040 54.991 56.100 -0.114 0.000 1.102 122 R CB -0.407 29.752 30.300 -0.234 0.000 0.978 122 R HN 0.512 nan 8.270 nan 0.000 0.436 123 P HA -0.102 nan 4.420 nan 0.000 0.268 123 P C 1.084 178.472 177.300 0.147 0.000 1.208 123 P CA 0.005 63.222 63.100 0.195 0.000 0.777 123 P CB 0.392 32.249 31.700 0.262 0.000 0.875 124 V N 0.715 120.702 119.914 0.122 0.000 2.317 124 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 124 V C 0.834 176.897 176.094 -0.052 0.000 1.065 124 V CA 1.595 63.927 62.300 0.055 0.000 1.049 124 V CB -1.044 30.821 31.823 0.069 0.000 0.651 124 V HN 0.267 nan 8.190 nan 0.000 0.450 125 V N 0.662 120.507 119.914 -0.116 0.000 2.540 125 V HA 0.650 4.770 4.120 -0.000 0.000 0.302 125 V C -0.803 175.316 176.094 0.042 0.000 1.035 125 V CA -0.486 61.676 62.300 -0.229 0.000 0.873 125 V CB 1.654 32.969 31.823 -0.846 0.000 0.992 125 V HN 0.468 nan 8.190 nan 0.000 0.428 126 F N 6.170 126.076 119.950 -0.073 0.000 2.539 126 F HA 0.788 5.315 4.527 -0.000 0.000 0.318 126 F C -0.529 175.267 175.800 -0.008 0.000 1.135 126 F CA -0.739 57.254 58.000 -0.011 0.000 0.915 126 F CB 1.864 40.868 39.000 0.007 0.000 1.176 126 F HN 0.392 nan 8.300 nan 0.000 0.440 127 V N 2.364 121.778 119.914 -0.833 0.000 2.628 127 V HA 0.711 4.831 4.120 -0.000 0.000 0.306 127 V C 0.034 175.456 176.094 -1.119 0.000 1.045 127 V CA -0.318 61.542 62.300 -0.734 0.000 0.905 127 V CB 1.036 32.672 31.823 -0.310 0.000 0.997 127 V HN 0.965 nan 8.190 nan 0.000 0.436 128 T N 1.787 115.964 114.554 -0.629 0.000 2.900 128 T HA 0.467 4.816 4.350 -0.000 0.000 0.307 128 T C 0.154 174.737 174.700 -0.195 0.000 1.065 128 T CA -0.395 61.514 62.100 -0.319 0.000 1.105 128 T CB 0.458 69.293 68.868 -0.055 0.000 0.979 128 T HN 0.888 nan 8.240 nan 0.000 0.544 129 R N 1.779 122.235 120.500 -0.073 0.000 2.687 129 R HA 0.227 4.566 4.340 -0.000 0.000 0.264 129 R C 0.937 177.245 176.300 0.013 0.000 1.715 129 R CA -0.492 55.588 56.100 -0.034 0.000 1.633 129 R CB 0.639 30.924 30.300 -0.025 0.000 1.353 129 R HN 0.681 nan 8.270 nan 0.000 0.653 130 K N 1.030 121.438 120.400 0.014 0.000 2.057 130 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 130 K C 1.833 178.449 176.600 0.026 0.000 1.049 130 K CA 1.367 57.672 56.287 0.032 0.000 0.931 130 K CB 0.209 32.725 32.500 0.026 0.000 0.714 130 K HN 0.130 nan 8.250 nan 0.000 0.440 131 K N 1.233 121.642 120.400 0.015 0.000 2.057 131 K HA -0.127 4.192 4.320 -0.000 0.000 0.207 131 K C 2.021 178.629 176.600 0.014 0.000 1.049 131 K CA 1.110 57.404 56.287 0.013 0.000 0.931 131 K CB -0.031 32.472 32.500 0.006 0.000 0.714 131 K HN 0.023 nan 8.250 nan 0.000 0.440 132 L N 0.325 121.556 121.223 0.013 0.000 2.056 132 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 132 L C 2.349 179.235 176.870 0.028 0.000 1.078 132 L CA 0.752 55.600 54.840 0.013 0.000 0.749 132 L CB -0.292 41.771 42.059 0.007 0.000 0.901 132 L HN 0.032 nan 8.230 nan 0.000 0.433 133 V N 0.112 120.052 119.914 0.043 0.000 2.343 133 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 133 V C 2.043 178.164 176.094 0.046 0.000 1.051 133 V CA 2.149 64.483 62.300 0.057 0.000 1.036 133 V CB -0.795 31.079 31.823 0.085 0.000 0.654 133 V HN 0.513 nan 8.190 nan 0.000 0.451 134 N N 0.312 119.034 118.700 0.038 0.000 2.120 134 N HA -0.171 4.569 4.740 -0.000 0.000 0.188 134 N C 1.947 177.469 175.510 0.020 0.000 1.024 134 N CA 1.208 54.275 53.050 0.029 0.000 0.852 134 N CB -0.262 38.239 38.487 0.024 0.000 1.003 134 N HN 0.498 nan 8.380 nan 0.000 0.424 135 A N 1.358 124.189 122.820 0.018 0.000 1.933 135 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 135 A C 2.116 179.710 177.584 0.016 0.000 1.175 135 A CA 1.005 53.051 52.037 0.014 0.000 0.628 135 A CB -0.564 18.445 19.000 0.015 0.000 0.814 135 A HN 0.187 nan 8.150 nan 0.000 0.444 136 I N -0.683 119.902 120.570 0.024 0.000 2.226 136 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 136 I C 2.774 178.908 176.117 0.029 0.000 1.100 136 I CA 1.536 62.854 61.300 0.030 0.000 1.374 136 I CB -0.428 37.594 38.000 0.037 0.000 1.057 136 I HN 0.417 nan 8.210 nan 0.000 0.413 137 Q N 0.078 119.898 119.800 0.033 0.000 2.119 137 Q HA -0.218 4.122 4.340 -0.000 0.000 0.201 137 Q C 2.313 178.316 176.000 0.005 0.000 0.972 137 Q CA 1.073 56.899 55.803 0.039 0.000 0.847 137 Q CB -0.075 28.688 28.738 0.042 0.000 0.903 137 Q HN 0.461 nan 8.270 nan 0.000 0.433 138 Q N 0.606 120.398 119.800 -0.013 0.000 2.084 138 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 138 Q C 1.956 177.891 176.000 -0.108 0.000 0.978 138 Q CA 1.173 56.948 55.803 -0.048 0.000 0.844 138 Q CB -0.043 28.675 28.738 -0.033 0.000 0.898 138 Q HN 0.224 nan 8.270 nan 0.000 0.426 139 K N 0.697 121.032 120.400 -0.109 0.000 2.026 139 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 139 K C 2.344 178.803 176.600 -0.236 0.000 1.048 139 K CA 0.683 56.825 56.287 -0.240 0.000 0.929 139 K CB -0.680 31.772 32.500 -0.080 0.000 0.713 139 K HN 0.227 nan 8.250 nan 0.000 0.439 140 L N 1.816 123.009 121.223 -0.050 0.000 2.079 140 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 140 L C 2.449 179.312 176.870 -0.012 0.000 1.081 140 L CA 1.639 56.522 54.840 0.072 0.000 0.752 140 L CB -0.681 41.514 42.059 0.227 0.000 0.896 140 L HN 0.229 nan 8.230 nan 0.000 0.433 141 S N -0.934 114.714 115.700 -0.087 0.000 2.515 141 S HA -0.114 4.355 4.470 -0.000 0.000 0.231 141 S C 1.731 176.237 174.600 -0.157 0.000 0.987 141 S CA 0.486 58.605 58.200 -0.135 0.000 0.936 141 S CB -0.195 62.943 63.200 -0.105 0.000 0.766 141 S HN 0.394 nan 8.310 nan 0.000 0.528 142 K N 0.693 120.956 120.400 -0.229 0.000 2.418 142 K HA 0.291 4.611 4.320 -0.000 0.000 0.195 142 K C 1.577 178.093 176.600 -0.140 0.000 1.035 142 K CA 0.303 56.438 56.287 -0.253 0.000 1.003 142 K CB -0.248 31.924 32.500 -0.546 0.000 0.793 142 K HN 0.379 nan 8.250 nan 0.000 0.494 143 L N 0.976 122.142 121.223 -0.095 0.000 2.093 143 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 143 L C 0.442 177.312 176.870 -0.001 0.000 1.085 143 L CA 0.712 55.568 54.840 0.026 0.000 0.755 143 L CB -0.286 41.822 42.059 0.083 0.000 0.904 143 L HN 0.150 nan 8.230 nan 0.000 0.435 144 K N 0.167 120.528 120.400 -0.064 0.000 3.096 144 K HA -0.229 4.091 4.320 -0.000 0.000 0.266 144 K C 0.959 177.529 176.600 -0.051 0.000 1.043 144 K CA 0.650 56.896 56.287 -0.069 0.000 0.758 144 K CB -2.298 30.180 32.500 -0.036 0.000 1.260 144 K HN 0.656 nan 8.250 nan 0.000 0.481 145 G N -0.385 108.379 108.800 -0.059 0.000 2.168 145 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 145 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 145 G C -0.067 174.833 174.900 0.001 0.000 0.977 145 G CA 0.900 45.984 45.100 -0.026 0.000 0.659 145 G HN 0.404 nan 8.290 nan 0.000 0.533 146 E N 0.332 120.536 120.200 0.007 0.000 2.221 146 E HA 0.478 4.828 4.350 -0.000 0.000 0.268 146 E C -2.440 174.161 176.600 0.000 0.000 0.933 146 E CA -2.120 54.285 56.400 0.008 0.000 0.809 146 E CB 1.398 31.109 29.700 0.018 0.000 1.190 146 E HN 0.042 nan 8.360 nan 0.000 0.406 147 P HA 0.215 nan 4.420 nan 0.000 0.266 147 P C -0.280 176.959 177.300 -0.101 0.000 1.193 147 P CA 0.286 63.326 63.100 -0.099 0.000 0.770 147 P CB 0.504 32.145 31.700 -0.098 0.000 0.836 148 G N 0.479 109.123 108.800 -0.260 0.000 2.325 148 G HA2 0.398 4.358 3.960 -0.000 0.000 0.297 148 G HA3 0.398 4.358 3.960 -0.000 0.000 0.297 148 G C -2.508 172.186 174.900 -0.343 0.000 1.448 148 G CA -0.869 44.126 45.100 -0.176 0.000 0.838 148 G HN 0.302 nan 8.290 nan 0.000 0.579 149 W N -0.160 121.188 121.300 0.081 0.000 2.702 149 W HA 0.635 5.295 4.660 -0.000 0.000 0.331 149 W C -0.423 176.171 176.519 0.125 0.000 1.049 149 W CA -0.940 56.435 57.345 0.051 0.000 1.230 149 W CB 2.579 32.034 29.460 -0.009 0.000 1.408 149 W HN 0.320 nan 8.180 nan 0.000 0.492 150 V N 2.934 123.033 119.914 0.308 0.000 2.407 150 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 150 V C -0.387 175.805 176.094 0.164 0.000 1.018 150 V CA -0.691 61.758 62.300 0.248 0.000 0.842 150 V CB 1.608 33.532 31.823 0.168 0.000 0.996 150 V HN 0.542 nan 8.190 nan 0.000 0.426 151 T N 6.465 121.108 114.554 0.149 0.000 2.770 151 T HA 0.611 4.961 4.350 -0.000 0.000 0.283 151 T C -0.166 174.597 174.700 0.105 0.000 0.988 151 T CA -0.137 62.020 62.100 0.096 0.000 0.957 151 T CB 0.925 69.829 68.868 0.060 0.000 0.930 151 T HN 0.380 nan 8.240 nan 0.000 0.443 152 I N 5.040 125.640 120.570 0.050 0.000 2.304 152 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 152 I C 0.242 176.378 176.117 0.032 0.000 1.018 152 I CA -0.643 60.667 61.300 0.016 0.000 1.260 152 I CB 0.346 38.339 38.000 -0.011 0.000 1.390 152 I HN 0.768 nan 8.210 nan 0.000 0.475 153 H N 4.082 123.132 119.070 -0.033 0.000 2.690 153 H HA 0.964 5.520 4.556 -0.000 0.000 0.368 153 H C -0.432 174.871 175.328 -0.042 0.000 1.150 153 H CA -0.844 55.172 56.048 -0.054 0.000 1.174 153 H CB 2.083 31.807 29.762 -0.065 0.000 1.684 153 H HN 0.721 nan 8.280 nan 0.000 0.538 154 G N 1.025 109.835 108.800 0.017 0.000 2.321 154 G HA2 0.214 4.174 3.960 -0.000 0.000 0.298 154 G HA3 0.214 4.174 3.960 -0.000 0.000 0.298 154 G C -1.216 173.680 174.900 -0.006 0.000 1.385 154 G CA -0.935 44.154 45.100 -0.019 0.000 0.856 154 G HN 0.868 nan 8.290 nan 0.000 0.584 155 M N 1.084 120.688 119.600 0.008 0.000 2.250 155 M HA 0.547 5.027 4.480 -0.000 0.000 0.325 155 M C 1.087 177.414 176.300 0.045 0.000 1.084 155 M CA 0.026 55.344 55.300 0.031 0.000 1.161 155 M CB 0.598 33.235 32.600 0.062 0.000 1.481 155 M HN 1.328 nan 8.290 nan 0.000 0.449 156 A N 3.136 125.986 122.820 0.049 0.000 2.546 156 A HA 0.398 4.718 4.320 -0.000 0.000 0.243 156 A C 1.156 178.793 177.584 0.088 0.000 1.063 156 A CA 0.536 52.600 52.037 0.045 0.000 0.757 156 A CB -0.966 18.009 19.000 -0.041 0.000 0.991 156 A HN 1.597 nan 8.150 nan 0.000 0.503 157 G N 0.407 109.283 108.800 0.127 0.000 2.184 157 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 157 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 157 G C 1.181 176.101 174.900 0.033 0.000 0.975 157 G CA 0.967 46.068 45.100 0.002 0.000 0.642 157 G HN 2.238 nan 8.290 nan 0.000 0.536 158 C N -0.487 118.849 119.300 0.060 0.000 2.522 158 C HA 0.579 5.039 4.460 -0.000 0.000 0.271 158 C C 2.148 177.161 174.990 0.037 0.000 1.425 158 C CA 0.674 59.716 59.018 0.040 0.000 1.751 158 C CB -0.886 26.870 27.740 0.027 0.000 1.775 158 C HN 2.376 nan 8.230 nan 0.000 0.557 159 G N 0.788 109.621 108.800 0.056 0.000 2.145 159 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.176 159 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.176 159 G C 0.625 175.571 174.900 0.078 0.000 1.013 159 G CA 0.262 45.405 45.100 0.071 0.000 0.689 159 G HN 0.576 nan 8.290 nan 0.000 0.506 160 K N 0.655 121.096 120.400 0.068 0.000 2.103 160 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 160 K C 2.798 179.455 176.600 0.095 0.000 1.052 160 K CA 1.623 57.943 56.287 0.055 0.000 0.945 160 K CB -0.156 32.356 32.500 0.020 0.000 0.722 160 K HN 0.545 nan 8.250 nan 0.000 0.443 161 S N 0.743 116.524 115.700 0.136 0.000 2.406 161 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 161 S C 2.138 176.894 174.600 0.260 0.000 1.020 161 S CA 0.690 59.040 58.200 0.249 0.000 0.965 161 S CB -0.283 63.087 63.200 0.283 0.000 0.798 161 S HN 0.025 nan 8.310 nan 0.000 0.488 162 V N 1.980 121.997 119.914 0.170 0.000 2.427 162 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 162 V C 2.573 178.766 176.094 0.166 0.000 1.051 162 V CA 1.733 64.126 62.300 0.155 0.000 1.048 162 V CB -0.782 31.153 31.823 0.187 0.000 0.666 162 V HN 0.472 nan 8.190 nan 0.000 0.456 163 L N 0.030 121.344 121.223 0.151 0.000 2.017 163 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 163 L C 2.730 179.670 176.870 0.117 0.000 1.073 163 L CA 1.660 56.576 54.840 0.127 0.000 0.745 163 L CB -0.753 41.357 42.059 0.084 0.000 0.894 163 L HN 0.361 nan 8.230 nan 0.000 0.432 164 A N -0.178 122.722 122.820 0.134 0.000 1.933 164 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 164 A C 2.492 180.192 177.584 0.193 0.000 1.175 164 A CA 1.711 53.825 52.037 0.128 0.000 0.628 164 A CB -0.659 18.389 19.000 0.080 0.000 0.814 164 A HN 0.420 nan 8.150 nan 0.000 0.444 165 A N -0.611 122.359 122.820 0.250 0.000 1.898 165 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 165 A C 1.961 179.552 177.584 0.011 0.000 1.181 165 A CA 1.620 53.720 52.037 0.105 0.000 0.620 165 A CB -0.387 18.551 19.000 -0.103 0.000 0.819 165 A HN 0.413 nan 8.150 nan 0.000 0.442 166 E N 0.070 120.287 120.200 0.029 0.000 2.110 166 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 166 E C 2.341 178.963 176.600 0.037 0.000 0.988 166 E CA 1.191 57.599 56.400 0.014 0.000 0.804 166 E CB -0.629 29.140 29.700 0.114 0.000 0.745 166 E HN 0.553 nan 8.360 nan 0.000 0.458 167 A N 1.035 123.891 122.820 0.060 0.000 1.948 167 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 167 A C 2.370 179.987 177.584 0.056 0.000 1.177 167 A CA 2.046 54.119 52.037 0.060 0.000 0.636 167 A CB -0.569 18.466 19.000 0.058 0.000 0.815 167 A HN 0.218 nan 8.150 nan 0.000 0.449 168 V N -3.614 116.321 119.914 0.035 0.000 3.649 168 V HA 0.272 4.392 4.120 -0.000 0.000 0.275 168 V C 1.218 177.311 176.094 -0.001 0.000 1.281 168 V CA 0.700 63.015 62.300 0.025 0.000 1.143 168 V CB -0.734 31.075 31.823 -0.023 0.000 0.892 168 V HN 0.407 nan 8.190 nan 0.000 0.441 169 R N 1.634 122.123 120.500 -0.018 0.000 4.680 169 R HA 0.315 4.655 4.340 -0.000 0.000 0.222 169 R C -0.704 175.598 176.300 0.005 0.000 1.803 169 R CA 0.115 56.185 56.100 -0.049 0.000 1.560 169 R CB -0.679 29.556 30.300 -0.108 0.000 1.412 169 R HN 0.721 nan 8.270 nan 0.000 0.815 170 D N -1.475 118.953 120.400 0.047 0.000 2.891 170 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 170 D C 0.270 176.655 176.300 0.142 0.000 1.321 170 D CA -0.575 53.481 54.000 0.093 0.000 0.929 170 D CB 1.035 41.883 40.800 0.081 0.000 1.551 170 D HN 0.235 nan 8.370 nan 0.000 0.574 171 H N 1.935 121.064 119.070 0.098 0.000 2.321 171 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 171 H C 1.402 176.795 175.328 0.108 0.000 1.087 171 H CA 2.401 58.540 56.048 0.152 0.000 1.319 171 H CB 0.467 30.297 29.762 0.114 0.000 1.379 171 H HN 0.298 nan 8.280 nan 0.000 0.501 172 S N 0.239 116.046 115.700 0.179 0.000 2.348 172 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 172 S C 2.148 176.758 174.600 0.017 0.000 1.033 172 S CA 1.181 59.432 58.200 0.086 0.000 1.010 172 S CB -0.535 62.711 63.200 0.077 0.000 0.891 172 S HN 0.386 nan 8.310 nan 0.000 0.442 173 L N 1.226 122.470 121.223 0.037 0.000 2.013 173 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 173 L C 2.108 178.998 176.870 0.033 0.000 1.073 173 L CA 1.533 56.386 54.840 0.021 0.000 0.753 173 L CB -0.521 41.587 42.059 0.082 0.000 0.890 173 L HN 0.193 nan 8.230 nan 0.000 0.432 174 L N -0.269 121.015 121.223 0.102 0.000 2.005 174 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 174 L C 2.594 179.538 176.870 0.123 0.000 1.072 174 L CA 2.093 57.037 54.840 0.173 0.000 0.744 174 L CB -0.951 41.195 42.059 0.145 0.000 0.895 174 L HN 0.516 nan 8.230 nan 0.000 0.433 175 E N -1.278 118.933 120.200 0.019 0.000 2.072 175 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 175 E C 2.039 178.589 176.600 -0.083 0.000 0.985 175 E CA 1.047 57.394 56.400 -0.088 0.000 0.801 175 E CB -0.260 29.221 29.700 -0.365 0.000 0.750 175 E HN 0.526 nan 8.360 nan 0.000 0.452 176 G N -0.048 108.694 108.800 -0.097 0.000 2.394 176 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 176 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 176 G C 1.571 176.348 174.900 -0.205 0.000 1.165 176 G CA 0.923 45.950 45.100 -0.121 0.000 0.784 176 G HN 0.386 nan 8.290 nan 0.000 0.535 177 C N -1.092 118.004 119.300 -0.341 0.000 2.609 177 C HA 0.446 4.906 4.460 -0.000 0.000 0.305 177 C C 0.318 174.767 174.990 -0.902 0.000 1.319 177 C CA -0.383 58.195 59.018 -0.734 0.000 1.793 177 C CB -0.464 26.602 27.740 -1.124 0.000 2.260 177 C HN 0.241 nan 8.230 nan 0.000 0.535 178 F N 0.938 120.885 119.950 -0.005 0.000 2.593 178 F HA 0.323 4.850 4.527 -0.000 0.000 0.336 178 F C -1.791 174.022 175.800 0.021 0.000 1.491 178 F CA -2.469 55.530 58.000 -0.001 0.000 1.114 178 F CB -0.298 38.692 39.000 -0.018 0.000 1.468 178 F HN -0.013 nan 8.300 nan 0.000 0.579 179 P HA -0.125 nan 4.420 nan 0.000 0.220 179 P C 1.692 179.074 177.300 0.137 0.000 1.144 179 P CA 1.322 64.497 63.100 0.126 0.000 0.800 179 P CB 0.258 31.995 31.700 0.062 0.000 0.772 180 G N -1.456 107.431 108.800 0.146 0.000 2.920 180 G HA2 0.352 4.312 3.960 -0.000 0.000 0.208 180 G HA3 0.352 4.312 3.960 -0.000 0.000 0.208 180 G C 0.787 175.774 174.900 0.146 0.000 1.159 180 G CA 0.475 45.664 45.100 0.149 0.000 0.784 180 G HN 0.620 nan 8.290 nan 0.000 0.535 181 G N -1.414 107.445 108.800 0.097 0.000 2.548 181 G HA2 0.232 4.191 3.960 -0.000 0.000 0.208 181 G HA3 0.232 4.191 3.960 -0.000 0.000 0.208 181 G C -0.419 174.415 174.900 -0.110 0.000 1.308 181 G CA 0.134 45.212 45.100 -0.036 0.000 0.924 181 G HN 1.561 nan 8.290 nan 0.000 0.540 182 V N -3.207 116.533 119.914 -0.289 0.000 2.925 182 V HA 0.921 5.041 4.120 -0.000 0.000 0.311 182 V C -0.708 175.073 176.094 -0.522 0.000 1.104 182 V CA -0.934 61.177 62.300 -0.315 0.000 0.954 182 V CB 1.953 33.624 31.823 -0.254 0.000 1.022 182 V HN 1.388 nan 8.190 nan 0.000 0.427 183 H N 3.626 122.617 119.070 -0.132 0.000 2.689 183 H HA 0.460 5.016 4.556 -0.000 0.000 0.346 183 H C -1.401 173.899 175.328 -0.046 0.000 1.037 183 H CA -0.104 55.889 56.048 -0.092 0.000 1.234 183 H CB 1.745 31.409 29.762 -0.163 0.000 1.572 183 H HN 0.948 nan 8.280 nan 0.000 0.524 184 W N 5.948 127.193 121.300 -0.091 0.000 2.338 184 W HA 0.484 5.144 4.660 -0.000 0.000 0.307 184 W C -1.483 174.976 176.519 -0.101 0.000 1.167 184 W CA -0.593 56.680 57.345 -0.121 0.000 1.208 184 W CB 0.984 30.360 29.460 -0.140 0.000 1.228 184 W HN 0.308 nan 8.180 nan 0.000 0.499 185 V N 5.425 125.106 119.914 -0.388 0.000 2.407 185 V HA 0.118 4.238 4.120 -0.000 0.000 0.291 185 V C 0.216 176.105 176.094 -0.340 0.000 1.018 185 V CA -0.756 61.406 62.300 -0.230 0.000 0.842 185 V CB 1.292 32.985 31.823 -0.218 0.000 0.996 185 V HN 0.539 nan 8.190 nan 0.000 0.426 186 S N 3.537 119.197 115.700 -0.067 0.000 2.416 186 S HA 0.425 4.895 4.470 -0.000 0.000 0.287 186 S C 0.617 175.173 174.600 -0.073 0.000 1.139 186 S CA -0.429 57.747 58.200 -0.040 0.000 1.058 186 S CB 0.868 64.093 63.200 0.040 0.000 0.967 186 S HN 0.489 nan 8.310 nan 0.000 0.495 187 V N 5.099 124.952 119.914 -0.102 0.000 2.695 187 V HA 0.447 4.567 4.120 -0.000 0.000 0.230 187 V C 1.579 177.644 176.094 -0.050 0.000 1.110 187 V CA 0.630 62.887 62.300 -0.071 0.000 1.159 187 V CB -1.650 30.112 31.823 -0.101 0.000 0.875 187 V HN 1.114 nan 8.190 nan 0.000 0.502 188 G N 0.897 109.695 108.800 -0.002 0.000 2.752 188 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.234 188 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.234 188 G C -0.313 174.483 174.900 -0.173 0.000 1.367 188 G CA 0.258 45.369 45.100 0.018 0.000 0.879 188 G HN 0.635 nan 8.290 nan 0.000 0.563 189 K N 0.925 120.915 120.400 -0.684 0.000 2.378 189 K HA 0.455 4.775 4.320 -0.000 0.000 0.288 189 K C 0.113 176.477 176.600 -0.394 0.000 1.057 189 K CA 0.446 56.159 56.287 -0.957 0.000 0.971 189 K CB 0.421 32.006 32.500 -1.525 0.000 0.975 189 K HN 0.514 nan 8.250 nan 0.000 0.475 190 Q N 2.629 122.303 119.800 -0.210 0.000 2.423 190 Q HA 0.266 4.606 4.340 -0.000 0.000 0.278 190 Q C -0.821 175.265 176.000 0.143 0.000 1.097 190 Q CA -0.885 54.887 55.803 -0.052 0.000 0.809 190 Q CB 1.879 30.598 28.738 -0.032 0.000 1.391 190 Q HN 0.824 nan 8.270 nan 0.000 0.428 191 D N 0.100 120.584 120.400 0.140 0.000 2.511 191 D HA 0.210 4.850 4.640 -0.000 0.000 0.276 191 D C 0.749 177.191 176.300 0.237 0.000 1.220 191 D CA -0.478 53.640 54.000 0.196 0.000 1.077 191 D CB 0.924 41.724 40.800 -0.000 0.000 1.126 191 D HN 0.057 nan 8.370 nan 0.000 0.583 192 K N -0.162 120.256 120.400 0.029 0.000 2.032 192 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 192 K C 2.091 178.685 176.600 -0.008 0.000 1.048 192 K CA 1.845 58.135 56.287 0.005 0.000 0.927 192 K CB -0.850 31.558 32.500 -0.154 0.000 0.712 192 K HN 0.623 nan 8.250 nan 0.000 0.441 193 S N 0.027 115.651 115.700 -0.127 0.000 2.406 193 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 193 S C 2.272 176.814 174.600 -0.096 0.000 1.020 193 S CA 1.024 59.164 58.200 -0.101 0.000 0.965 193 S CB -0.641 62.502 63.200 -0.094 0.000 0.798 193 S HN 0.335 nan 8.310 nan 0.000 0.488 194 G N 1.956 110.709 108.800 -0.079 0.000 2.421 194 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 194 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 194 G C 1.361 176.246 174.900 -0.026 0.000 1.171 194 G CA 0.986 46.056 45.100 -0.051 0.000 0.775 194 G HN 0.459 nan 8.290 nan 0.000 0.543 195 L N 0.174 121.418 121.223 0.035 0.000 2.046 195 L HA 0.096 4.436 4.340 -0.000 0.000 0.208 195 L C 2.546 179.415 176.870 -0.002 0.000 1.077 195 L CA 1.417 56.282 54.840 0.042 0.000 0.747 195 L CB -0.601 41.532 42.059 0.123 0.000 0.896 195 L HN 0.204 nan 8.230 nan 0.000 0.432 196 L N -0.833 120.380 121.223 -0.015 0.000 2.042 196 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 196 L C 2.398 179.221 176.870 -0.078 0.000 1.076 196 L CA 1.983 56.793 54.840 -0.050 0.000 0.749 196 L CB -0.455 41.577 42.059 -0.045 0.000 0.893 196 L HN 0.315 nan 8.230 nan 0.000 0.432 197 M N -0.983 118.548 119.600 -0.116 0.000 2.108 197 M HA -0.226 4.254 4.480 -0.000 0.000 0.261 197 M C 2.147 178.398 176.300 -0.081 0.000 1.066 197 M CA 1.637 56.849 55.300 -0.147 0.000 1.107 197 M CB -0.398 32.058 32.600 -0.240 0.000 1.356 197 M HN 0.145 nan 8.290 nan 0.000 0.406 198 K N 0.532 120.905 120.400 -0.044 0.000 2.025 198 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 198 K C 1.905 178.507 176.600 0.003 0.000 1.049 198 K CA 1.308 57.593 56.287 -0.002 0.000 0.933 198 K CB -0.701 31.819 32.500 0.033 0.000 0.714 198 K HN 0.397 nan 8.250 nan 0.000 0.438 199 L N 1.163 122.370 121.223 -0.025 0.000 2.093 199 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 199 L C 2.668 179.502 176.870 -0.060 0.000 1.085 199 L CA 1.192 55.994 54.840 -0.063 0.000 0.755 199 L CB -0.417 41.557 42.059 -0.141 0.000 0.904 199 L HN 0.232 nan 8.230 nan 0.000 0.435 200 Q N -0.257 119.507 119.800 -0.060 0.000 2.050 200 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 200 Q C 2.122 178.097 176.000 -0.042 0.000 0.980 200 Q CA 1.713 57.483 55.803 -0.055 0.000 0.840 200 Q CB -0.314 28.384 28.738 -0.067 0.000 0.898 200 Q HN 0.492 nan 8.270 nan 0.000 0.424 201 N N 0.704 119.383 118.700 -0.035 0.000 2.149 201 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 201 N C 1.888 177.389 175.510 -0.015 0.000 1.019 201 N CA 0.870 53.910 53.050 -0.018 0.000 0.857 201 N CB 0.030 38.513 38.487 -0.007 0.000 0.997 201 N HN 0.152 nan 8.380 nan 0.000 0.426 202 L N 1.491 122.704 121.223 -0.016 0.000 2.027 202 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 202 L C 2.569 179.400 176.870 -0.065 0.000 1.074 202 L CA 1.514 56.337 54.840 -0.029 0.000 0.745 202 L CB -1.090 40.972 42.059 0.006 0.000 0.898 202 L HN 0.228 nan 8.230 nan 0.000 0.433 203 C N -0.902 118.363 119.300 -0.058 0.000 2.425 203 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 203 C C 2.606 177.572 174.990 -0.040 0.000 1.280 203 C CA 1.355 60.335 59.018 -0.063 0.000 1.744 203 C CB -1.402 26.303 27.740 -0.057 0.000 1.989 203 C HN 0.627 nan 8.230 nan 0.000 0.491 204 T N 0.300 114.838 114.554 -0.026 0.000 2.737 204 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 204 T C 2.046 176.745 174.700 -0.002 0.000 1.038 204 T CA 1.076 63.173 62.100 -0.004 0.000 1.144 204 T CB -0.240 68.629 68.868 0.001 0.000 0.866 204 T HN 0.542 nan 8.240 nan 0.000 0.434 205 R N 0.521 121.009 120.500 -0.020 0.000 2.105 205 R HA 0.020 4.360 4.340 -0.000 0.000 0.239 205 R C 2.241 178.505 176.300 -0.059 0.000 1.135 205 R CA 1.064 57.150 56.100 -0.024 0.000 0.967 205 R CB -0.464 29.820 30.300 -0.028 0.000 0.861 205 R HN 0.383 nan 8.270 nan 0.000 0.442 206 L N -0.102 121.046 121.223 -0.126 0.000 2.492 206 L HA -0.016 4.324 4.340 -0.000 0.000 0.223 206 L C 0.424 177.363 176.870 0.115 0.000 1.132 206 L CA 0.414 55.158 54.840 -0.161 0.000 0.850 206 L CB 0.077 41.967 42.059 -0.282 0.000 0.966 206 L HN 0.025 nan 8.230 nan 0.000 0.454 207 D N -0.887 119.554 120.400 0.068 0.000 2.739 207 D HA 0.101 4.741 4.640 -0.000 0.000 0.335 207 D C 0.994 177.352 176.300 0.096 0.000 1.216 207 D CA -0.062 54.005 54.000 0.112 0.000 0.808 207 D CB 0.635 41.501 40.800 0.110 0.000 1.121 207 D HN 0.043 nan 8.370 nan 0.000 0.499 208 Q N -0.105 119.751 119.800 0.092 0.000 2.020 208 Q HA -0.100 4.240 4.340 -0.000 0.000 0.198 208 Q C 1.273 177.313 176.000 0.066 0.000 0.974 208 Q CA 1.491 57.337 55.803 0.071 0.000 0.829 208 Q CB 0.174 28.954 28.738 0.070 0.000 0.894 208 Q HN 0.391 nan 8.270 nan 0.000 0.433 209 D N 0.450 120.892 120.400 0.071 0.000 2.389 209 D HA -0.204 4.436 4.640 -0.000 0.000 0.221 209 D C -0.255 176.075 176.300 0.050 0.000 0.974 209 D CA 0.868 54.900 54.000 0.054 0.000 0.923 209 D CB -0.230 40.598 40.800 0.047 0.000 0.892 209 D HN 0.318 nan 8.370 nan 0.000 0.518 210 E N -1.514 118.731 120.200 0.074 0.000 2.868 210 E HA -0.237 4.113 4.350 -0.000 0.000 0.278 210 E C 0.594 177.218 176.600 0.041 0.000 1.009 210 E CA 0.641 57.082 56.400 0.068 0.000 0.856 210 E CB -1.644 28.079 29.700 0.039 0.000 1.428 210 E HN 0.550 nan 8.360 nan 0.000 0.423 211 S N -0.915 114.815 115.700 0.050 0.000 2.547 211 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 211 S C 0.570 174.906 174.600 -0.441 0.000 0.980 211 S CA 0.537 58.645 58.200 -0.154 0.000 0.941 211 S CB 0.006 63.109 63.200 -0.161 0.000 0.763 211 S HN 0.272 nan 8.310 nan 0.000 0.532 212 F N 0.573 120.517 119.950 -0.010 0.000 2.835 212 F HA 0.594 5.121 4.527 -0.000 0.000 0.373 212 F C 0.836 176.629 175.800 -0.012 0.000 1.209 212 F CA -1.549 56.444 58.000 -0.012 0.000 1.082 212 F CB 0.327 39.321 39.000 -0.011 0.000 1.472 212 F HN -0.130 nan 8.300 nan 0.000 0.519 213 S N 0.557 116.371 115.700 0.191 0.000 2.558 213 S HA -0.076 4.394 4.470 -0.000 0.000 0.293 213 S C 0.919 175.556 174.600 0.062 0.000 1.292 213 S CA 0.005 58.255 58.200 0.083 0.000 1.063 213 S CB 0.426 63.666 63.200 0.066 0.000 0.831 213 S HN 0.718 nan 8.310 nan 0.000 0.499 214 Q N 3.369 123.189 119.800 0.033 0.000 2.331 214 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 214 Q C 0.680 176.698 176.000 0.030 0.000 0.944 214 Q CA 0.398 56.218 55.803 0.029 0.000 0.892 214 Q CB 0.135 28.882 28.738 0.016 0.000 0.983 214 Q HN 0.759 nan 8.270 nan 0.000 0.482 215 R N 0.166 120.683 120.500 0.027 0.000 2.457 215 R HA 0.419 4.759 4.340 -0.000 0.000 0.284 215 R C -0.646 175.666 176.300 0.021 0.000 1.024 215 R CA -0.638 55.483 56.100 0.034 0.000 1.025 215 R CB 0.763 31.089 30.300 0.043 0.000 1.063 215 R HN 0.015 nan 8.270 nan 0.000 0.493 216 L N 2.953 124.182 121.223 0.010 0.000 2.464 216 L HA 0.317 4.657 4.340 -0.000 0.000 0.264 216 L C -1.648 175.216 176.870 -0.010 0.000 1.199 216 L CA -2.163 52.672 54.840 -0.009 0.000 0.818 216 L CB 0.391 42.433 42.059 -0.029 0.000 1.102 216 L HN 0.602 nan 8.230 nan 0.000 0.473 217 P HA 0.058 nan 4.420 nan 0.000 0.271 217 P C 0.067 177.351 177.300 -0.027 0.000 1.216 217 P CA -0.026 63.058 63.100 -0.025 0.000 0.776 217 P CB 0.917 32.592 31.700 -0.042 0.000 0.881 218 L N 1.237 122.449 121.223 -0.019 0.000 2.616 218 L HA 0.145 4.485 4.340 -0.000 0.000 0.229 218 L C 0.633 177.493 176.870 -0.016 0.000 1.110 218 L CA 0.318 55.148 54.840 -0.016 0.000 0.884 218 L CB -0.390 41.667 42.059 -0.003 0.000 1.115 218 L HN 0.515 nan 8.230 nan 0.000 0.481 219 N N -2.168 116.519 118.700 -0.021 0.000 2.825 219 N HA 0.269 5.009 4.740 -0.000 0.000 0.253 219 N C 0.274 175.764 175.510 -0.033 0.000 1.426 219 N CA -0.820 52.216 53.050 -0.023 0.000 0.851 219 N CB 0.597 39.075 38.487 -0.016 0.000 1.470 219 N HN -0.193 nan 8.380 nan 0.000 0.517 220 I N -0.208 120.344 120.570 -0.030 0.000 2.286 220 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 220 I C 2.302 178.391 176.117 -0.047 0.000 1.115 220 I CA 1.432 62.711 61.300 -0.037 0.000 1.392 220 I CB -0.146 37.853 38.000 -0.002 0.000 1.065 220 I HN 0.758 nan 8.210 nan 0.000 0.418 221 E N 1.089 121.269 120.200 -0.033 0.000 2.051 221 E HA -0.261 4.088 4.350 -0.000 0.000 0.192 221 E C 2.015 178.593 176.600 -0.036 0.000 0.991 221 E CA 1.423 57.805 56.400 -0.030 0.000 0.799 221 E CB 0.022 29.709 29.700 -0.021 0.000 0.748 221 E HN 0.497 nan 8.360 nan 0.000 0.449 222 E N 0.039 120.220 120.200 -0.033 0.000 2.085 222 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 222 E C 2.040 178.610 176.600 -0.051 0.000 0.994 222 E CA 0.930 57.310 56.400 -0.033 0.000 0.801 222 E CB -0.142 29.544 29.700 -0.023 0.000 0.743 222 E HN 0.346 nan 8.360 nan 0.000 0.453 223 A N 1.753 124.533 122.820 -0.067 0.000 1.930 223 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 223 A C 2.070 179.579 177.584 -0.125 0.000 1.175 223 A CA 1.674 53.654 52.037 -0.095 0.000 0.627 223 A CB -0.368 18.564 19.000 -0.113 0.000 0.815 223 A HN 0.099 nan 8.150 nan 0.000 0.443 224 K N -0.352 119.974 120.400 -0.124 0.000 2.026 224 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 224 K C 1.724 178.272 176.600 -0.086 0.000 1.048 224 K CA 1.914 58.123 56.287 -0.129 0.000 0.929 224 K CB -0.310 32.133 32.500 -0.096 0.000 0.713 224 K HN 0.369 nan 8.250 nan 0.000 0.439 225 D N -0.017 120.346 120.400 -0.062 0.000 2.117 225 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 225 D C 2.100 178.362 176.300 -0.062 0.000 0.987 225 D CA 1.171 55.142 54.000 -0.049 0.000 0.829 225 D CB 0.087 40.868 40.800 -0.032 0.000 0.961 225 D HN 0.187 nan 8.370 nan 0.000 0.460 226 R N -0.206 120.252 120.500 -0.069 0.000 2.092 226 R HA -0.020 4.320 4.340 -0.000 0.000 0.231 226 R C 2.345 178.576 176.300 -0.116 0.000 1.119 226 R CA 0.676 56.725 56.100 -0.085 0.000 0.970 226 R CB -0.333 29.925 30.300 -0.069 0.000 0.864 226 R HN 0.246 nan 8.270 nan 0.000 0.440 227 L N 0.718 121.875 121.223 -0.109 0.000 2.046 227 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 227 L C 2.576 179.390 176.870 -0.094 0.000 1.077 227 L CA 1.637 56.413 54.840 -0.107 0.000 0.747 227 L CB -0.462 41.529 42.059 -0.113 0.000 0.896 227 L HN 0.341 nan 8.230 nan 0.000 0.432 228 R N 0.255 120.706 120.500 -0.081 0.000 2.083 228 R HA -0.216 4.124 4.340 -0.000 0.000 0.237 228 R C 2.218 178.466 176.300 -0.088 0.000 1.137 228 R CA 1.930 57.991 56.100 -0.065 0.000 0.951 228 R CB -0.310 29.962 30.300 -0.046 0.000 0.851 228 R HN 0.382 nan 8.270 nan 0.000 0.434 229 I N 0.731 121.227 120.570 -0.122 0.000 2.252 229 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 229 I C 2.231 178.166 176.117 -0.303 0.000 1.102 229 I CA 1.022 62.214 61.300 -0.180 0.000 1.385 229 I CB -0.176 37.717 38.000 -0.179 0.000 1.064 229 I HN 0.196 nan 8.210 nan 0.000 0.414 230 L N -0.322 120.710 121.223 -0.319 0.000 2.093 230 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 230 L C 2.571 179.384 176.870 -0.094 0.000 1.085 230 L CA 0.965 55.617 54.840 -0.313 0.000 0.755 230 L CB -0.435 41.499 42.059 -0.208 0.000 0.904 230 L HN 0.286 nan 8.230 nan 0.000 0.435 231 M N -0.995 118.572 119.600 -0.056 0.000 2.254 231 M HA -0.101 4.379 4.480 -0.000 0.000 0.265 231 M C 2.238 178.536 176.300 -0.002 0.000 1.066 231 M CA 1.353 56.661 55.300 0.014 0.000 1.123 231 M CB -0.852 31.739 32.600 -0.014 0.000 1.388 231 M HN 0.226 nan 8.290 nan 0.000 0.425 232 L N 0.435 121.630 121.223 -0.046 0.000 2.023 232 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 232 L C 2.538 179.386 176.870 -0.038 0.000 1.073 232 L CA 1.831 56.650 54.840 -0.035 0.000 0.745 232 L CB -0.402 41.634 42.059 -0.038 0.000 0.900 232 L HN 0.105 nan 8.230 nan 0.000 0.435 233 R N -0.522 119.929 120.500 -0.081 0.000 2.173 233 R HA 0.064 4.404 4.340 -0.000 0.000 0.208 233 R C 1.981 178.250 176.300 -0.052 0.000 1.035 233 R CA 0.838 56.920 56.100 -0.031 0.000 1.004 233 R CB -0.093 30.217 30.300 0.017 0.000 0.917 233 R HN 0.409 nan 8.270 nan 0.000 0.462 234 K N -0.945 119.349 120.400 -0.177 0.000 2.399 234 K HA 0.128 4.448 4.320 -0.000 0.000 0.196 234 K C 0.147 176.369 176.600 -0.631 0.000 1.103 234 K CA 0.276 56.342 56.287 -0.367 0.000 0.986 234 K CB 0.745 32.973 32.500 -0.453 0.000 0.952 234 K HN 0.177 nan 8.250 nan 0.000 0.541 235 H N 0.657 119.716 119.070 -0.017 0.000 2.779 235 H HA 0.217 4.773 4.556 -0.000 0.000 0.230 235 H C -2.650 172.692 175.328 0.023 0.000 1.365 235 H CA -1.710 54.350 56.048 0.019 0.000 1.086 235 H CB 0.676 30.444 29.762 0.010 0.000 2.038 235 H HN 0.096 nan 8.280 nan 0.000 0.558 236 P HA 0.048 nan 4.420 nan 0.000 0.272 236 P C 0.199 177.550 177.300 0.085 0.000 1.230 236 P CA -0.135 63.001 63.100 0.059 0.000 0.788 236 P CB 0.985 32.702 31.700 0.029 0.000 0.949 237 R N -1.445 119.104 120.500 0.083 0.000 3.416 237 R HA -0.107 4.233 4.340 -0.000 0.000 0.263 237 R C 0.172 176.592 176.300 0.200 0.000 1.053 237 R CA 0.711 56.879 56.100 0.113 0.000 0.705 237 R CB -2.873 27.469 30.300 0.070 0.000 1.124 237 R HN 0.775 nan 8.270 nan 0.000 0.444 238 S N -0.746 115.072 115.700 0.197 0.000 2.671 238 S HA 0.781 5.251 4.470 -0.000 0.000 0.299 238 S C -0.563 174.059 174.600 0.037 0.000 1.116 238 S CA -1.247 57.058 58.200 0.175 0.000 0.912 238 S CB 2.562 65.859 63.200 0.162 0.000 1.130 238 S HN 0.204 nan 8.310 nan 0.000 0.501 239 L N 1.272 122.355 121.223 -0.235 0.000 2.322 239 L HA 0.718 5.057 4.340 -0.000 0.000 0.281 239 L C -1.417 175.289 176.870 -0.274 0.000 1.014 239 L CA -0.823 53.735 54.840 -0.470 0.000 0.815 239 L CB 1.401 42.776 42.059 -1.140 0.000 1.247 239 L HN 0.789 nan 8.230 nan 0.000 0.421 240 L N 5.972 127.051 121.223 -0.240 0.000 2.282 240 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 240 L C -0.691 176.002 176.870 -0.295 0.000 1.033 240 L CA 0.122 54.834 54.840 -0.214 0.000 0.807 240 L CB 1.130 43.077 42.059 -0.186 0.000 1.209 240 L HN 0.486 nan 8.230 nan 0.000 0.423 241 I N 5.964 126.331 120.570 -0.338 0.000 2.355 241 I HA 0.328 4.498 4.170 -0.000 0.000 0.288 241 I C -0.763 174.942 176.117 -0.687 0.000 0.999 241 I CA -0.507 60.500 61.300 -0.487 0.000 1.163 241 I CB 1.171 38.854 38.000 -0.529 0.000 1.316 241 I HN 0.321 nan 8.210 nan 0.000 0.454 242 L N 5.512 126.368 121.223 -0.611 0.000 2.277 242 L HA 0.365 4.705 4.340 -0.000 0.000 0.284 242 L C -0.502 176.037 176.870 -0.550 0.000 1.028 242 L CA -0.466 54.007 54.840 -0.612 0.000 0.835 242 L CB 1.086 42.797 42.059 -0.580 0.000 1.215 242 L HN 0.535 nan 8.230 nan 0.000 0.425 243 D N 3.270 123.306 120.400 -0.606 0.000 2.316 243 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 243 D C -0.086 176.098 176.300 -0.193 0.000 1.171 243 D CA 0.290 54.045 54.000 -0.408 0.000 0.856 243 D CB 0.689 41.286 40.800 -0.339 0.000 1.090 243 D HN 0.482 nan 8.370 nan 0.000 0.476 244 D N 2.639 122.960 120.400 -0.131 0.000 3.026 244 D HA -0.159 4.481 4.640 -0.000 0.000 0.248 244 D C -1.205 175.119 176.300 0.041 0.000 1.100 244 D CA 0.239 54.218 54.000 -0.035 0.000 0.855 244 D CB -0.675 40.162 40.800 0.060 0.000 1.011 244 D HN 0.085 nan 8.370 nan 0.000 0.423 245 V N 2.145 122.023 119.914 -0.061 0.000 2.461 245 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 245 V C 1.157 177.237 176.094 -0.024 0.000 1.047 245 V CA -0.136 62.138 62.300 -0.043 0.000 0.955 245 V CB 1.273 33.010 31.823 -0.143 0.000 0.988 245 V HN 0.476 nan 8.190 nan 0.000 0.471 246 W N 0.849 122.035 121.300 -0.189 0.000 2.808 246 W HA 0.267 4.927 4.660 -0.000 0.000 0.266 246 W C 0.453 176.871 176.519 -0.168 0.000 1.247 246 W CA -0.136 57.122 57.345 -0.145 0.000 1.440 246 W CB 0.487 29.884 29.460 -0.104 0.000 1.040 246 W HN 0.441 nan 8.180 nan 0.000 0.606 247 D N -1.200 119.150 120.400 -0.082 0.000 2.819 247 D HA 0.092 4.732 4.640 -0.000 0.000 0.232 247 D C 0.995 177.122 176.300 -0.289 0.000 1.160 247 D CA 0.060 53.946 54.000 -0.190 0.000 0.858 247 D CB 2.031 42.659 40.800 -0.286 0.000 1.610 247 D HN -0.203 nan 8.370 nan 0.000 0.481 248 S N 1.319 116.939 115.700 -0.134 0.000 2.399 248 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 248 S C 1.838 176.407 174.600 -0.051 0.000 1.022 248 S CA 0.450 58.585 58.200 -0.109 0.000 0.983 248 S CB -0.462 62.707 63.200 -0.051 0.000 0.803 248 S HN 0.797 nan 8.310 nan 0.000 0.480 249 W N 1.672 122.969 121.300 -0.004 0.000 2.402 249 W HA 0.034 4.694 4.660 -0.000 0.000 0.286 249 W C 1.401 177.937 176.519 0.029 0.000 1.221 249 W CA 0.588 57.935 57.345 0.004 0.000 1.257 249 W CB -0.931 28.530 29.460 0.002 0.000 1.120 249 W HN 0.177 nan 8.180 nan 0.000 0.551 250 V N 1.980 121.495 119.914 -0.664 0.000 2.358 250 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 250 V C 2.600 178.695 176.094 0.002 0.000 1.047 250 V CA 1.597 63.579 62.300 -0.529 0.000 1.035 250 V CB -0.995 30.435 31.823 -0.656 0.000 0.658 250 V HN 0.069 nan 8.190 nan 0.000 0.452 251 L N -0.093 121.115 121.223 -0.025 0.000 2.131 251 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 251 L C 2.348 179.334 176.870 0.193 0.000 1.092 251 L CA 1.762 56.656 54.840 0.090 0.000 0.759 251 L CB -0.859 41.079 42.059 -0.202 0.000 0.903 251 L HN 0.277 nan 8.230 nan 0.000 0.435 252 K N -1.038 119.427 120.400 0.109 0.000 2.152 252 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 252 K C 1.978 178.654 176.600 0.126 0.000 1.048 252 K CA 1.227 57.593 56.287 0.131 0.000 0.933 252 K CB -0.246 32.326 32.500 0.120 0.000 0.721 252 K HN 0.361 nan 8.250 nan 0.000 0.447 253 A N 0.301 123.167 122.820 0.077 0.000 2.067 253 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 253 A C 1.361 178.777 177.584 -0.281 0.000 1.158 253 A CA 1.090 53.053 52.037 -0.122 0.000 0.661 253 A CB -0.357 18.497 19.000 -0.244 0.000 0.801 253 A HN 0.227 nan 8.150 nan 0.000 0.452 254 F N -0.653 119.353 119.950 0.095 0.000 2.664 254 F HA 0.186 4.712 4.527 -0.000 0.000 0.303 254 F C 0.454 176.347 175.800 0.154 0.000 1.092 254 F CA -0.574 57.483 58.000 0.096 0.000 1.305 254 F CB 0.349 39.412 39.000 0.106 0.000 1.054 254 F HN 0.042 nan 8.300 nan 0.000 0.565 255 D N 0.612 121.214 120.400 0.337 0.000 2.608 255 D HA 0.127 4.767 4.640 -0.000 0.000 0.224 255 D C -0.018 176.367 176.300 0.142 0.000 1.123 255 D CA 0.315 54.516 54.000 0.335 0.000 1.030 255 D CB -0.002 41.003 40.800 0.341 0.000 1.093 255 D HN -0.080 nan 8.370 nan 0.000 0.497 256 S N 1.856 117.592 115.700 0.060 0.000 2.740 256 S HA 0.104 4.574 4.470 -0.000 0.000 0.244 256 S C -0.095 174.491 174.600 -0.024 0.000 1.101 256 S CA -0.471 57.737 58.200 0.012 0.000 1.123 256 S CB 0.486 63.683 63.200 -0.004 0.000 1.012 256 S HN 0.333 nan 8.310 nan 0.000 0.491 257 Q N -0.205 119.573 119.800 -0.036 0.000 2.487 257 Q HA -0.164 4.176 4.340 -0.000 0.000 0.279 257 Q C -0.320 175.625 176.000 -0.093 0.000 1.228 257 Q CA 0.477 56.246 55.803 -0.056 0.000 0.873 257 Q CB -2.628 26.095 28.738 -0.025 0.000 1.260 257 Q HN 0.691 nan 8.270 nan 0.000 0.471 258 C N 0.061 119.260 119.300 -0.168 0.000 2.407 258 C HA 0.551 5.011 4.460 -0.000 0.000 0.366 258 C C 0.639 175.462 174.990 -0.279 0.000 1.213 258 C CA -0.682 58.224 59.018 -0.185 0.000 2.011 258 C CB 1.723 29.352 27.740 -0.185 0.000 2.306 258 C HN 0.443 nan 8.230 nan 0.000 0.527 259 Q N 1.154 120.840 119.800 -0.191 0.000 2.303 259 Q HA 0.660 5.000 4.340 -0.000 0.000 0.257 259 Q C -1.105 174.745 176.000 -0.250 0.000 0.941 259 Q CA 0.294 55.994 55.803 -0.171 0.000 0.931 259 Q CB 1.050 29.806 28.738 0.030 0.000 1.215 259 Q HN 0.555 nan 8.270 nan 0.000 0.437 260 I N 3.420 123.801 120.570 -0.315 0.000 2.499 260 I HA 0.292 4.462 4.170 -0.000 0.000 0.288 260 I C -1.200 174.850 176.117 -0.111 0.000 1.048 260 I CA -1.027 60.111 61.300 -0.271 0.000 1.062 260 I CB 1.763 39.531 38.000 -0.387 0.000 1.238 260 I HN 0.372 nan 8.210 nan 0.000 0.426 261 L N 8.379 129.512 121.223 -0.150 0.000 2.296 261 L HA 0.701 5.041 4.340 -0.000 0.000 0.286 261 L C -0.956 175.818 176.870 -0.159 0.000 1.023 261 L CA -0.253 54.523 54.840 -0.108 0.000 0.812 261 L CB 1.351 43.318 42.059 -0.152 0.000 1.223 261 L HN 0.535 nan 8.230 nan 0.000 0.421 262 L N 2.005 123.172 121.223 -0.093 0.000 2.371 262 L HA 0.953 5.293 4.340 -0.000 0.000 0.262 262 L C -0.317 176.480 176.870 -0.121 0.000 1.006 262 L CA -0.566 54.181 54.840 -0.155 0.000 0.818 262 L CB 2.079 44.071 42.059 -0.111 0.000 1.354 262 L HN 0.642 nan 8.230 nan 0.000 0.415 263 T N -1.689 112.769 114.554 -0.160 0.000 2.895 263 T HA 0.775 5.125 4.350 -0.000 0.000 0.283 263 T C -0.226 174.405 174.700 -0.114 0.000 1.014 263 T CA -0.494 61.543 62.100 -0.105 0.000 1.037 263 T CB 1.756 70.567 68.868 -0.094 0.000 1.006 263 T HN 0.958 nan 8.240 nan 0.000 0.468 264 T N 0.537 115.036 114.554 -0.093 0.000 2.942 264 T HA 0.385 4.735 4.350 -0.000 0.000 0.327 264 T C 0.510 175.126 174.700 -0.139 0.000 1.360 264 T CA -0.802 61.208 62.100 -0.149 0.000 1.055 264 T CB 1.542 70.320 68.868 -0.151 0.000 1.261 264 T HN 0.699 nan 8.240 nan 0.000 0.485 265 R N 1.145 121.486 120.500 -0.265 0.000 2.236 265 R HA 0.163 4.503 4.340 -0.000 0.000 0.208 265 R C -0.108 176.083 176.300 -0.182 0.000 1.036 265 R CA 0.374 56.335 56.100 -0.230 0.000 1.001 265 R CB 0.219 30.288 30.300 -0.385 0.000 0.896 265 R HN 0.387 nan 8.270 nan 0.000 0.464 266 D N 0.705 120.974 120.400 -0.217 0.000 2.454 266 D HA 0.065 4.705 4.640 -0.000 0.000 0.247 266 D C 0.297 176.484 176.300 -0.189 0.000 1.129 266 D CA -0.316 53.571 54.000 -0.188 0.000 0.877 266 D CB 1.205 41.888 40.800 -0.195 0.000 1.082 266 D HN -0.156 nan 8.370 nan 0.000 0.537 267 K N 1.411 121.663 120.400 -0.247 0.000 2.286 267 K HA -0.114 4.206 4.320 -0.000 0.000 0.203 267 K C 1.057 177.516 176.600 -0.234 0.000 1.045 267 K CA 1.092 57.180 56.287 -0.332 0.000 0.935 267 K CB 0.218 32.364 32.500 -0.591 0.000 0.737 267 K HN 0.120 nan 8.250 nan 0.000 0.460 268 S N 0.333 115.921 115.700 -0.186 0.000 2.607 268 S HA -0.040 4.429 4.470 -0.000 0.000 0.224 268 S C 1.499 176.010 174.600 -0.150 0.000 0.969 268 S CA 0.735 58.845 58.200 -0.150 0.000 0.927 268 S CB 0.138 63.272 63.200 -0.111 0.000 0.772 268 S HN 0.415 nan 8.310 nan 0.000 0.533 269 V N -1.038 118.776 119.914 -0.168 0.000 3.026 269 V HA -0.028 4.092 4.120 -0.000 0.000 0.265 269 V C 1.693 177.643 176.094 -0.239 0.000 1.121 269 V CA 1.709 63.903 62.300 -0.177 0.000 1.142 269 V CB -1.156 30.558 31.823 -0.182 0.000 0.730 269 V HN 0.364 nan 8.190 nan 0.000 0.503 270 T N -0.043 114.349 114.554 -0.270 0.000 3.144 270 T HA 0.077 4.427 4.350 -0.000 0.000 0.249 270 T C 1.195 175.704 174.700 -0.319 0.000 1.089 270 T CA 0.572 62.438 62.100 -0.391 0.000 0.989 270 T CB -0.417 68.228 68.868 -0.371 0.000 0.992 270 T HN 0.575 nan 8.240 nan 0.000 0.540 271 D N 1.035 121.309 120.400 -0.211 0.000 2.183 271 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 271 D C 2.144 178.369 176.300 -0.125 0.000 0.969 271 D CA 0.979 54.891 54.000 -0.147 0.000 0.842 271 D CB -0.099 40.639 40.800 -0.102 0.000 0.957 271 D HN 0.521 nan 8.370 nan 0.000 0.484 272 S N -0.490 115.135 115.700 -0.124 0.000 2.631 272 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 272 S C 0.537 175.082 174.600 -0.091 0.000 0.958 272 S CA -0.450 57.705 58.200 -0.075 0.000 0.920 272 S CB 0.307 63.490 63.200 -0.029 0.000 0.776 272 S HN -0.088 nan 8.310 nan 0.000 0.517 273 V N 2.342 122.148 119.914 -0.179 0.000 2.864 273 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 273 V C -0.687 175.332 176.094 -0.126 0.000 1.073 273 V CA -0.873 61.310 62.300 -0.195 0.000 0.956 273 V CB 2.047 33.520 31.823 -0.582 0.000 1.023 273 V HN 0.433 nan 8.190 nan 0.000 0.435 274 M N 2.514 122.149 119.600 0.059 0.000 2.727 274 M HA 0.852 5.332 4.480 -0.000 0.000 0.300 274 M C 0.233 176.680 176.300 0.245 0.000 1.246 274 M CA -0.105 55.252 55.300 0.095 0.000 0.835 274 M CB 1.556 34.198 32.600 0.070 0.000 1.755 274 M HN 0.981 nan 8.290 nan 0.000 0.473 275 G N 1.272 110.166 108.800 0.157 0.000 2.434 275 G HA2 0.029 3.989 3.960 -0.000 0.000 0.671 275 G HA3 0.029 3.989 3.960 -0.000 0.000 0.671 275 G C -3.321 171.654 174.900 0.124 0.000 1.280 275 G CA -1.295 43.898 45.100 0.156 0.000 0.975 275 G HN 0.467 nan 8.290 nan 0.000 0.510 276 P HA 0.368 nan 4.420 nan 0.000 0.264 276 P C -0.507 176.727 177.300 -0.111 0.000 1.193 276 P CA 0.480 63.531 63.100 -0.081 0.000 0.763 276 P CB 0.420 32.134 31.700 0.023 0.000 0.810 277 K N 3.034 123.202 120.400 -0.386 0.000 2.507 277 K HA 0.433 4.753 4.320 -0.000 0.000 0.252 277 K C -1.085 175.225 176.600 -0.483 0.000 0.943 277 K CA -0.508 55.636 56.287 -0.238 0.000 0.808 277 K CB 1.334 33.762 32.500 -0.120 0.000 1.142 277 K HN 0.353 nan 8.250 nan 0.000 0.426 278 Y N 0.412 120.775 120.300 0.106 0.000 2.485 278 Y HA 0.555 5.105 4.550 -0.000 0.000 0.345 278 Y C -0.147 175.800 175.900 0.079 0.000 0.998 278 Y CA -1.139 57.008 58.100 0.078 0.000 1.059 278 Y CB 1.833 40.338 38.460 0.074 0.000 1.234 278 Y HN 0.102 nan 8.280 nan 0.000 0.461 279 V N 2.972 123.018 119.914 0.219 0.000 2.709 279 V HA 0.565 4.685 4.120 -0.000 0.000 0.308 279 V C -1.032 175.155 176.094 0.156 0.000 1.062 279 V CA -0.948 61.461 62.300 0.183 0.000 0.901 279 V CB 2.034 33.953 31.823 0.160 0.000 1.003 279 V HN 0.519 nan 8.190 nan 0.000 0.425 280 V N 5.985 125.970 119.914 0.117 0.000 2.376 280 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 280 V C -2.518 173.483 176.094 -0.154 0.000 1.015 280 V CA -1.870 60.441 62.300 0.018 0.000 0.834 280 V CB 1.849 33.678 31.823 0.011 0.000 1.001 280 V HN 0.734 nan 8.190 nan 0.000 0.428 281 P HA 0.283 nan 4.420 nan 0.000 0.276 281 P C -0.661 176.459 177.300 -0.301 0.000 1.230 281 P CA -0.107 62.657 63.100 -0.561 0.000 0.776 281 P CB 1.147 32.700 31.700 -0.244 0.000 0.888 282 V N 3.583 123.312 119.914 -0.309 0.000 2.417 282 V HA 0.184 4.304 4.120 -0.000 0.000 0.291 282 V C 0.242 176.274 176.094 -0.103 0.000 1.024 282 V CA -0.768 61.445 62.300 -0.146 0.000 0.861 282 V CB 1.074 32.836 31.823 -0.101 0.000 0.985 282 V HN 0.509 nan 8.190 nan 0.000 0.436 283 E N 2.659 122.823 120.200 -0.061 0.000 2.413 283 E HA 0.083 4.433 4.350 -0.000 0.000 0.263 283 E C 1.126 177.712 176.600 -0.024 0.000 1.015 283 E CA 0.316 56.694 56.400 -0.036 0.000 0.916 283 E CB 0.221 29.907 29.700 -0.023 0.000 0.947 283 E HN 0.692 nan 8.360 nan 0.000 0.440 284 S N 1.165 116.856 115.700 -0.016 0.000 2.453 284 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 284 S C 0.901 175.500 174.600 -0.002 0.000 1.005 284 S CA 0.338 58.535 58.200 -0.005 0.000 0.949 284 S CB 0.050 63.246 63.200 -0.006 0.000 0.774 284 S HN 0.444 nan 8.310 nan 0.000 0.510 285 S N 0.426 116.123 115.700 -0.006 0.000 2.482 285 S HA 0.576 5.046 4.470 -0.000 0.000 0.303 285 S C -0.386 174.213 174.600 -0.002 0.000 1.091 285 S CA -0.941 57.258 58.200 -0.003 0.000 1.057 285 S CB 0.805 64.002 63.200 -0.005 0.000 1.031 285 S HN 0.423 nan 8.310 nan 0.000 0.485 286 L N 3.840 125.064 121.223 0.002 0.000 2.467 286 L HA 0.333 4.673 4.340 -0.000 0.000 0.270 286 L C 1.411 178.283 176.870 0.003 0.000 1.205 286 L CA -0.099 54.741 54.840 -0.000 0.000 0.828 286 L CB 0.245 42.305 42.059 0.002 0.000 1.101 286 L HN 0.909 nan 8.230 nan 0.000 0.479 287 G N 1.370 110.171 108.800 0.001 0.000 2.572 287 G HA2 0.073 4.033 3.960 -0.000 0.000 0.261 287 G HA3 0.073 4.033 3.960 -0.000 0.000 0.261 287 G C 0.620 175.529 174.900 0.016 0.000 1.197 287 G CA -0.391 44.713 45.100 0.007 0.000 0.870 287 G HN 0.759 nan 8.290 nan 0.000 0.548 288 K N -0.107 120.309 120.400 0.026 0.000 2.034 288 K HA -0.161 4.159 4.320 -0.000 0.000 0.214 288 K C 2.218 178.843 176.600 0.042 0.000 1.051 288 K CA 2.094 58.407 56.287 0.044 0.000 0.931 288 K CB -0.081 32.457 32.500 0.062 0.000 0.715 288 K HN 0.500 nan 8.250 nan 0.000 0.446 289 E N 0.301 120.522 120.200 0.036 0.000 2.077 289 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 289 E C 1.924 178.532 176.600 0.013 0.000 0.989 289 E CA 0.974 57.392 56.400 0.030 0.000 0.800 289 E CB -0.031 29.683 29.700 0.024 0.000 0.746 289 E HN 0.243 nan 8.360 nan 0.000 0.452 290 K N -0.070 120.331 120.400 0.001 0.000 2.148 290 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 290 K C 2.125 178.723 176.600 -0.003 0.000 1.050 290 K CA 0.948 57.225 56.287 -0.016 0.000 0.942 290 K CB -0.557 31.924 32.500 -0.032 0.000 0.724 290 K HN 0.182 nan 8.250 nan 0.000 0.446 291 G N 1.409 110.217 108.800 0.013 0.000 2.402 291 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 291 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 291 G C 1.675 176.600 174.900 0.041 0.000 1.162 291 G CA 0.373 45.491 45.100 0.029 0.000 0.777 291 G HN 0.156 nan 8.290 nan 0.000 0.539 292 L N 0.094 121.333 121.223 0.027 0.000 2.079 292 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 292 L C 2.761 179.653 176.870 0.037 0.000 1.081 292 L CA 1.444 56.292 54.840 0.014 0.000 0.752 292 L CB -0.313 41.733 42.059 -0.021 0.000 0.896 292 L HN 0.336 nan 8.230 nan 0.000 0.433 293 E N 0.616 120.831 120.200 0.025 0.000 2.106 293 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 293 E C 2.319 178.939 176.600 0.033 0.000 0.984 293 E CA 0.950 57.361 56.400 0.018 0.000 0.806 293 E CB 0.046 29.738 29.700 -0.013 0.000 0.750 293 E HN 0.473 nan 8.360 nan 0.000 0.458 294 I N 0.933 121.534 120.570 0.052 0.000 2.142 294 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 294 I C 2.474 178.730 176.117 0.231 0.000 1.078 294 I CA 0.957 62.324 61.300 0.112 0.000 1.343 294 I CB -0.286 37.801 38.000 0.146 0.000 1.046 294 I HN 0.205 nan 8.210 nan 0.000 0.405 295 L N 0.538 121.888 121.223 0.212 0.000 2.013 295 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 295 L C 2.860 179.885 176.870 0.258 0.000 1.073 295 L CA 2.103 57.094 54.840 0.251 0.000 0.753 295 L CB -0.844 41.355 42.059 0.232 0.000 0.890 295 L HN 0.428 nan 8.230 nan 0.000 0.432 296 S N -0.229 115.576 115.700 0.174 0.000 2.399 296 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 296 S C 1.913 176.576 174.600 0.105 0.000 1.022 296 S CA 0.956 59.239 58.200 0.137 0.000 0.983 296 S CB -0.535 62.710 63.200 0.076 0.000 0.803 296 S HN 0.388 nan 8.310 nan 0.000 0.480 297 L N -0.968 120.295 121.223 0.066 0.000 2.131 297 L HA 0.117 4.457 4.340 -0.000 0.000 0.206 297 L C 2.421 179.265 176.870 -0.045 0.000 1.087 297 L CA 0.980 55.809 54.840 -0.019 0.000 0.767 297 L CB -0.517 41.486 42.059 -0.094 0.000 0.917 297 L HN 0.229 nan 8.230 nan 0.000 0.441 298 F N 0.146 120.112 119.950 0.028 0.000 2.102 298 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 298 F C 2.284 178.093 175.800 0.014 0.000 1.105 298 F CA 1.819 59.825 58.000 0.009 0.000 1.239 298 F CB -0.443 38.549 39.000 -0.013 0.000 0.991 298 F HN -0.067 nan 8.300 nan 0.000 0.474 299 V N -2.163 117.900 119.914 0.248 0.000 3.649 299 V HA 0.180 4.299 4.120 -0.000 0.000 0.275 299 V C 0.683 176.862 176.094 0.141 0.000 1.281 299 V CA 0.614 63.029 62.300 0.191 0.000 1.143 299 V CB -1.226 30.762 31.823 0.275 0.000 0.892 299 V HN 0.559 nan 8.190 nan 0.000 0.441 300 N N 1.207 119.969 118.700 0.104 0.000 2.727 300 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 300 N C -0.352 175.198 175.510 0.067 0.000 1.040 300 N CA 1.567 54.654 53.050 0.062 0.000 0.712 300 N CB -1.323 37.188 38.487 0.041 0.000 0.912 300 N HN 0.954 nan 8.380 nan 0.000 0.545 301 M N -1.978 117.670 119.600 0.079 0.000 2.631 301 M HA 0.480 4.960 4.480 -0.000 0.000 0.288 301 M C -0.087 176.241 176.300 0.046 0.000 1.260 301 M CA -1.100 54.236 55.300 0.061 0.000 0.842 301 M CB 1.631 34.274 32.600 0.071 0.000 1.743 301 M HN -0.142 nan 8.290 nan 0.000 0.461 302 K N 1.093 121.510 120.400 0.028 0.000 2.414 302 K HA 0.106 4.425 4.320 -0.000 0.000 0.272 302 K C 0.630 177.241 176.600 0.017 0.000 0.993 302 K CA -0.085 56.214 56.287 0.020 0.000 0.964 302 K CB 0.842 33.350 32.500 0.013 0.000 0.925 302 K HN 0.619 nan 8.250 nan 0.000 0.487 303 K N 1.564 121.973 120.400 0.016 0.000 2.103 303 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 303 K C 1.620 178.223 176.600 0.004 0.000 1.048 303 K CA 1.593 57.886 56.287 0.010 0.000 0.930 303 K CB -0.038 32.472 32.500 0.016 0.000 0.716 303 K HN 0.704 nan 8.250 nan 0.000 0.444 304 A N 0.798 123.625 122.820 0.011 0.000 2.206 304 A HA -0.070 4.250 4.320 -0.000 0.000 0.211 304 A C 0.715 178.297 177.584 -0.004 0.000 1.158 304 A CA 1.110 53.156 52.037 0.013 0.000 0.761 304 A CB 0.069 19.078 19.000 0.014 0.000 0.801 304 A HN 0.237 nan 8.150 nan 0.000 0.473 305 D N -0.518 119.873 120.400 -0.016 0.000 2.363 305 D HA 0.205 4.845 4.640 -0.000 0.000 0.214 305 D C 0.235 176.490 176.300 -0.075 0.000 1.093 305 D CA -0.046 53.935 54.000 -0.031 0.000 0.837 305 D CB 0.101 40.894 40.800 -0.012 0.000 0.948 305 D HN 0.346 nan 8.370 nan 0.000 0.507 306 L N 2.741 123.902 121.223 -0.103 0.000 2.456 306 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 306 L C -1.551 175.113 176.870 -0.343 0.000 1.189 306 L CA -1.191 53.506 54.840 -0.239 0.000 0.846 306 L CB 0.202 42.122 42.059 -0.232 0.000 1.111 306 L HN -0.136 nan 8.230 nan 0.000 0.475 307 P HA 0.078 nan 4.420 nan 0.000 0.275 307 P C -0.018 177.059 177.300 -0.371 0.000 1.266 307 P CA -0.390 62.387 63.100 -0.538 0.000 0.793 307 P CB 0.646 31.838 31.700 -0.846 0.000 1.074 308 E N -0.141 119.953 120.200 -0.176 0.000 2.153 308 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 308 E C 1.803 178.425 176.600 0.035 0.000 0.988 308 E CA 1.103 57.504 56.400 0.001 0.000 0.811 308 E CB -0.173 29.527 29.700 -0.001 0.000 0.746 308 E HN 0.438 nan 8.360 nan 0.000 0.466 309 Q N 0.564 120.338 119.800 -0.043 0.000 2.226 309 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 309 Q C 2.025 178.110 176.000 0.142 0.000 0.975 309 Q CA 1.309 57.170 55.803 0.097 0.000 0.866 309 Q CB -0.320 28.563 28.738 0.241 0.000 0.915 309 Q HN 0.311 nan 8.270 nan 0.000 0.440 310 A N 0.141 122.922 122.820 -0.065 0.000 1.917 310 A HA -0.282 4.037 4.320 -0.000 0.000 0.219 310 A C 1.548 179.099 177.584 -0.055 0.000 1.182 310 A CA 2.023 54.057 52.037 -0.005 0.000 0.633 310 A CB -0.818 17.984 19.000 -0.329 0.000 0.819 310 A HN 0.520 nan 8.150 nan 0.000 0.448 311 H N -0.603 118.492 119.070 0.041 0.000 2.389 311 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 311 H C 2.522 177.879 175.328 0.049 0.000 1.081 311 H CA 1.463 57.533 56.048 0.037 0.000 1.345 311 H CB -0.052 29.715 29.762 0.008 0.000 1.393 311 H HN 0.466 nan 8.280 nan 0.000 0.520 312 S N 0.142 115.944 115.700 0.170 0.000 2.383 312 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 312 S C 2.164 176.826 174.600 0.104 0.000 1.026 312 S CA 0.996 59.267 58.200 0.118 0.000 0.981 312 S CB -0.128 63.136 63.200 0.107 0.000 0.818 312 S HN 0.297 nan 8.310 nan 0.000 0.472 313 I N 1.342 121.989 120.570 0.129 0.000 2.226 313 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 313 I C 1.916 178.076 176.117 0.072 0.000 1.100 313 I CA 0.853 62.220 61.300 0.111 0.000 1.374 313 I CB -0.335 37.766 38.000 0.168 0.000 1.057 313 I HN 0.249 nan 8.210 nan 0.000 0.413 314 I N 1.026 121.642 120.570 0.076 0.000 2.226 314 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 314 I C 2.514 178.659 176.117 0.046 0.000 1.100 314 I CA 1.536 62.868 61.300 0.053 0.000 1.374 314 I CB -1.213 36.818 38.000 0.052 0.000 1.057 314 I HN 0.274 nan 8.210 nan 0.000 0.413 315 K N 0.869 121.304 120.400 0.058 0.000 2.044 315 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 315 K C 1.890 178.508 176.600 0.029 0.000 1.049 315 K CA 1.508 57.822 56.287 0.044 0.000 0.927 315 K CB 0.077 32.607 32.500 0.051 0.000 0.713 315 K HN 0.172 nan 8.250 nan 0.000 0.443 316 E N 0.157 120.376 120.200 0.032 0.000 2.204 316 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 316 E C 1.980 178.584 176.600 0.007 0.000 0.989 316 E CA 0.814 57.226 56.400 0.020 0.000 0.824 316 E CB -0.314 29.400 29.700 0.022 0.000 0.756 316 E HN 0.414 nan 8.360 nan 0.000 0.477 317 C N 0.356 119.660 119.300 0.007 0.000 2.481 317 C HA 0.076 4.536 4.460 -0.000 0.000 0.275 317 C C 1.032 176.018 174.990 -0.005 0.000 1.419 317 C CA -0.209 58.806 59.018 -0.004 0.000 1.773 317 C CB -0.666 27.071 27.740 -0.004 0.000 1.862 317 C HN 0.456 nan 8.230 nan 0.000 0.530 318 K N -0.456 119.942 120.400 -0.003 0.000 3.071 318 K HA -0.199 4.121 4.320 -0.000 0.000 0.265 318 K C 0.963 177.556 176.600 -0.012 0.000 1.060 318 K CA 0.312 56.591 56.287 -0.013 0.000 0.767 318 K CB -1.748 30.732 32.500 -0.034 0.000 1.241 318 K HN 0.777 nan 8.250 nan 0.000 0.486 319 G N -0.338 108.463 108.800 0.001 0.000 2.189 319 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.267 319 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.267 319 G C 0.053 174.958 174.900 0.009 0.000 0.975 319 G CA 0.543 45.646 45.100 0.004 0.000 0.644 319 G HN 0.566 nan 8.290 nan 0.000 0.537 320 S N 1.521 117.228 115.700 0.010 0.000 2.455 320 S HA 0.514 4.984 4.470 -0.000 0.000 0.278 320 S C 0.007 174.617 174.600 0.016 0.000 1.216 320 S CA -0.663 57.550 58.200 0.022 0.000 1.055 320 S CB 1.255 64.480 63.200 0.043 0.000 0.939 320 S HN 0.166 nan 8.310 nan 0.000 0.494 321 P HA -0.090 nan 4.420 nan 0.000 0.220 321 P C 1.480 178.804 177.300 0.041 0.000 1.148 321 P CA 0.363 63.484 63.100 0.035 0.000 0.803 321 P CB 0.082 31.806 31.700 0.042 0.000 0.782 322 L N -0.044 121.183 121.223 0.007 0.000 2.056 322 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 322 L C 2.317 179.176 176.870 -0.019 0.000 1.078 322 L CA 1.736 56.576 54.840 -0.000 0.000 0.749 322 L CB -1.243 40.756 42.059 -0.100 0.000 0.901 322 L HN -0.224 nan 8.230 nan 0.000 0.433 323 V N -1.312 118.584 119.914 -0.029 0.000 2.358 323 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 323 V C 2.508 178.557 176.094 -0.076 0.000 1.047 323 V CA 1.525 63.791 62.300 -0.057 0.000 1.035 323 V CB -0.587 31.217 31.823 -0.032 0.000 0.658 323 V HN 0.317 nan 8.190 nan 0.000 0.452 324 V N -0.055 119.837 119.914 -0.037 0.000 2.407 324 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 324 V C 2.563 178.609 176.094 -0.079 0.000 1.055 324 V CA 2.316 64.595 62.300 -0.035 0.000 1.049 324 V CB -0.724 31.111 31.823 0.020 0.000 0.662 324 V HN 0.543 nan 8.190 nan 0.000 0.455 325 S N -0.040 115.643 115.700 -0.029 0.000 2.368 325 S HA -0.078 4.392 4.470 -0.000 0.000 0.224 325 S C 1.903 176.287 174.600 -0.360 0.000 1.029 325 S CA 1.358 59.525 58.200 -0.056 0.000 0.988 325 S CB -0.321 62.983 63.200 0.174 0.000 0.838 325 S HN 0.462 nan 8.310 nan 0.000 0.462 326 L N 1.102 122.180 121.223 -0.242 0.000 2.012 326 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 326 L C 2.161 178.791 176.870 -0.400 0.000 1.073 326 L CA 0.884 55.546 54.840 -0.297 0.000 0.748 326 L CB -0.577 41.343 42.059 -0.232 0.000 0.891 326 L HN 0.292 nan 8.230 nan 0.000 0.431 327 I N 0.019 120.367 120.570 -0.370 0.000 2.202 327 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 327 I C 2.718 178.537 176.117 -0.496 0.000 1.091 327 I CA 1.627 62.682 61.300 -0.409 0.000 1.368 327 I CB -2.107 35.725 38.000 -0.280 0.000 1.058 327 I HN 0.246 nan 8.210 nan 0.000 0.410 328 G N 0.939 109.400 108.800 -0.565 0.000 2.505 328 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 328 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 328 G C 1.848 176.160 174.900 -0.980 0.000 1.145 328 G CA 1.302 45.957 45.100 -0.741 0.000 0.761 328 G HN 0.503 nan 8.290 nan 0.000 0.571 329 A N 0.394 122.477 122.820 -1.227 0.000 1.898 329 A HA 0.141 4.461 4.320 -0.000 0.000 0.216 329 A C 2.469 179.856 177.584 -0.328 0.000 1.181 329 A CA 1.277 52.904 52.037 -0.683 0.000 0.620 329 A CB -0.420 18.289 19.000 -0.484 0.000 0.819 329 A HN 0.355 nan 8.150 nan 0.000 0.442 330 L N -0.729 120.289 121.223 -0.342 0.000 2.012 330 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 330 L C 2.610 179.452 176.870 -0.047 0.000 1.073 330 L CA 1.396 56.125 54.840 -0.186 0.000 0.748 330 L CB -0.530 41.158 42.059 -0.619 0.000 0.891 330 L HN 0.382 nan 8.230 nan 0.000 0.431 331 L N -0.762 120.313 121.223 -0.248 0.000 2.083 331 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 331 L C 2.832 179.626 176.870 -0.126 0.000 1.083 331 L CA 1.043 55.738 54.840 -0.240 0.000 0.752 331 L CB -0.473 41.226 42.059 -0.600 0.000 0.899 331 L HN 0.256 nan 8.230 nan 0.000 0.433 332 R N 0.099 120.539 120.500 -0.100 0.000 2.096 332 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 332 R C 1.441 177.675 176.300 -0.111 0.000 1.127 332 R CA 1.757 57.839 56.100 -0.029 0.000 0.968 332 R CB -0.080 30.265 30.300 0.075 0.000 0.861 332 R HN 0.338 nan 8.270 nan 0.000 0.440 333 D N -0.793 119.482 120.400 -0.207 0.000 2.289 333 D HA -0.038 4.602 4.640 -0.000 0.000 0.207 333 D C -0.262 175.465 176.300 -0.955 0.000 0.966 333 D CA 0.919 54.579 54.000 -0.567 0.000 0.868 333 D CB 0.273 40.658 40.800 -0.693 0.000 0.943 333 D HN 0.169 nan 8.370 nan 0.000 0.514 334 F N -0.678 119.282 119.950 0.015 0.000 2.794 334 F HA 0.288 4.815 4.527 -0.000 0.000 0.353 334 F C -1.951 173.853 175.800 0.007 0.000 1.371 334 F CA -1.684 56.335 58.000 0.033 0.000 1.173 334 F CB 1.764 40.830 39.000 0.110 0.000 1.693 334 F HN -0.233 nan 8.300 nan 0.000 0.606 335 P HA -0.123 nan 4.420 nan 0.000 0.225 335 P C 0.630 178.006 177.300 0.127 0.000 1.148 335 P CA 1.208 64.349 63.100 0.069 0.000 0.779 335 P CB 0.162 31.902 31.700 0.067 0.000 0.780 336 N N -1.116 117.656 118.700 0.120 0.000 2.458 336 N HA 0.069 4.809 4.740 -0.000 0.000 0.274 336 N C 0.343 175.928 175.510 0.126 0.000 1.242 336 N CA -0.196 52.954 53.050 0.165 0.000 0.904 336 N CB -0.038 38.516 38.487 0.112 0.000 1.206 336 N HN 0.002 nan 8.380 nan 0.000 0.510 337 R N -0.433 120.105 120.500 0.063 0.000 2.700 337 R HA 0.157 4.497 4.340 -0.000 0.000 0.399 337 R C 0.033 176.333 176.300 0.001 0.000 1.115 337 R CA -0.356 55.712 56.100 -0.055 0.000 1.058 337 R CB -0.248 29.884 30.300 -0.280 0.000 1.389 337 R HN 0.212 nan 8.270 nan 0.000 0.582 338 W N 1.442 122.790 121.300 0.080 0.000 2.355 338 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 338 W C 2.262 178.828 176.519 0.078 0.000 1.206 338 W CA 1.352 58.760 57.345 0.105 0.000 1.284 338 W CB 0.022 29.528 29.460 0.077 0.000 1.145 338 W HN 0.190 nan 8.180 nan 0.000 0.502 339 E N -0.512 119.864 120.200 0.293 0.000 2.047 339 E HA -0.277 4.073 4.350 -0.000 0.000 0.191 339 E C 1.989 178.659 176.600 0.117 0.000 0.987 339 E CA 1.631 58.138 56.400 0.178 0.000 0.799 339 E CB -0.976 28.805 29.700 0.135 0.000 0.752 339 E HN 0.354 nan 8.360 nan 0.000 0.449 340 Y N -0.247 120.016 120.300 -0.062 0.000 2.114 340 Y HA -0.307 4.242 4.550 -0.000 0.000 0.282 340 Y C 1.738 177.554 175.900 -0.141 0.000 1.165 340 Y CA 2.143 60.141 58.100 -0.171 0.000 1.148 340 Y CB -0.581 37.660 38.460 -0.365 0.000 0.972 340 Y HN 0.148 nan 8.280 nan 0.000 0.504 341 Y N -1.010 119.226 120.300 -0.107 0.000 2.337 341 Y HA -0.107 4.443 4.550 -0.000 0.000 0.293 341 Y C 2.259 178.072 175.900 -0.145 0.000 1.123 341 Y CA 0.870 58.835 58.100 -0.224 0.000 1.201 341 Y CB -1.057 37.320 38.460 -0.139 0.000 1.011 341 Y HN 0.256 nan 8.280 nan 0.000 0.545 342 L N 0.700 121.986 121.223 0.105 0.000 2.012 342 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 342 L C 2.100 178.980 176.870 0.018 0.000 1.073 342 L CA 1.918 56.808 54.840 0.084 0.000 0.748 342 L CB -0.660 41.476 42.059 0.128 0.000 0.891 342 L HN 0.020 nan 8.230 nan 0.000 0.431 343 K N -1.030 119.356 120.400 -0.023 0.000 2.026 343 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 343 K C 2.130 178.679 176.600 -0.084 0.000 1.048 343 K CA 1.842 58.101 56.287 -0.048 0.000 0.929 343 K CB -0.182 32.286 32.500 -0.054 0.000 0.713 343 K HN 0.495 nan 8.250 nan 0.000 0.439 344 Q N 0.381 120.077 119.800 -0.172 0.000 2.135 344 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 344 Q C 2.145 178.108 176.000 -0.061 0.000 0.981 344 Q CA 1.222 56.936 55.803 -0.148 0.000 0.856 344 Q CB -0.096 28.502 28.738 -0.234 0.000 0.902 344 Q HN 0.338 nan 8.270 nan 0.000 0.425 345 L N 0.194 121.392 121.223 -0.042 0.000 2.093 345 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 345 L C 2.335 179.205 176.870 0.001 0.000 1.085 345 L CA 1.144 55.974 54.840 -0.017 0.000 0.755 345 L CB -0.167 41.886 42.059 -0.010 0.000 0.904 345 L HN 0.271 nan 8.230 nan 0.000 0.435 346 Q N -0.456 119.345 119.800 0.002 0.000 2.187 346 Q HA -0.126 4.213 4.340 -0.000 0.000 0.199 346 Q C 0.802 176.809 176.000 0.012 0.000 0.957 346 Q CA 0.790 56.600 55.803 0.011 0.000 0.857 346 Q CB -0.011 28.735 28.738 0.015 0.000 0.929 346 Q HN 0.476 nan 8.270 nan 0.000 0.453 347 N N 1.083 119.785 118.700 0.003 0.000 3.105 347 N HA 0.096 4.836 4.740 -0.000 0.000 0.256 347 N C -1.192 174.332 175.510 0.022 0.000 1.174 347 N CA -0.240 52.816 53.050 0.009 0.000 1.030 347 N CB 0.384 38.870 38.487 -0.001 0.000 1.305 347 N HN -0.158 nan 8.380 nan 0.000 0.509 348 K N 1.847 122.271 120.400 0.039 0.000 2.349 348 K HA 0.051 4.371 4.320 -0.000 0.000 0.289 348 K C 0.439 177.089 176.600 0.084 0.000 1.064 348 K CA 0.028 56.356 56.287 0.068 0.000 0.947 348 K CB 1.144 33.691 32.500 0.078 0.000 1.007 348 K HN 0.617 nan 8.250 nan 0.000 0.478 349 Q N 1.669 121.536 119.800 0.112 0.000 2.350 349 Q HA 0.095 4.435 4.340 -0.000 0.000 0.225 349 Q C -0.336 175.750 176.000 0.144 0.000 0.878 349 Q CA -0.212 55.654 55.803 0.104 0.000 0.935 349 Q CB 0.359 29.150 28.738 0.087 0.000 1.099 349 Q HN 0.489 nan 8.270 nan 0.000 0.527 350 F N 2.133 122.120 119.950 0.063 0.000 2.484 350 F HA 0.130 4.657 4.527 -0.000 0.000 0.360 350 F C -0.229 175.603 175.800 0.054 0.000 1.101 350 F CA 0.130 58.176 58.000 0.078 0.000 1.251 350 F CB 0.557 39.646 39.000 0.149 0.000 1.132 350 F HN -0.341 nan 8.300 nan 0.000 0.570 351 K N 6.124 126.159 120.400 -0.608 0.000 2.389 351 K HA 0.307 4.627 4.320 -0.000 0.000 0.261 351 K C -0.370 175.939 176.600 -0.485 0.000 1.014 351 K CA -0.799 55.256 56.287 -0.387 0.000 0.920 351 K CB 1.005 33.345 32.500 -0.268 0.000 1.149 351 K HN 0.451 nan 8.250 nan 0.000 0.444 352 R N 2.743 123.136 120.500 -0.179 0.000 2.543 352 R HA 0.182 4.522 4.340 -0.000 0.000 0.277 352 R C 0.704 176.949 176.300 -0.091 0.000 1.074 352 R CA 0.285 56.334 56.100 -0.084 0.000 1.076 352 R CB 0.573 30.894 30.300 0.036 0.000 0.993 352 R HN 0.692 nan 8.270 nan 0.000 0.459 353 I N 1.072 121.592 120.570 -0.083 0.000 3.366 353 I HA 0.087 4.257 4.170 -0.000 0.000 0.267 353 I C 1.200 177.304 176.117 -0.022 0.000 1.149 353 I CA 0.019 61.286 61.300 -0.055 0.000 1.436 353 I CB 0.051 38.011 38.000 -0.065 0.000 1.379 353 I HN 0.304 nan 8.210 nan 0.000 0.460 354 R N 3.727 124.214 120.500 -0.023 0.000 2.441 354 R HA 0.067 4.407 4.340 -0.000 0.000 0.300 354 R C -0.133 176.181 176.300 0.023 0.000 1.284 354 R CA -0.030 56.072 56.100 0.004 0.000 1.069 354 R CB 0.103 30.405 30.300 0.004 0.000 1.087 354 R HN 0.063 nan 8.270 nan 0.000 0.519 355 K N 3.065 123.499 120.400 0.056 0.000 2.310 355 K HA 0.035 4.355 4.320 -0.000 0.000 0.290 355 K C -0.426 176.264 176.600 0.150 0.000 1.077 355 K CA -0.017 56.332 56.287 0.104 0.000 0.922 355 K CB 1.003 33.554 32.500 0.085 0.000 1.057 355 K HN 0.425 nan 8.250 nan 0.000 0.479 356 S N 2.179 118.028 115.700 0.249 0.000 2.645 356 S HA 0.060 4.530 4.470 -0.000 0.000 0.266 356 S C 1.135 175.861 174.600 0.210 0.000 1.258 356 S CA -0.306 58.062 58.200 0.280 0.000 0.990 356 S CB 1.503 64.995 63.200 0.486 0.000 0.967 356 S HN 0.754 nan 8.310 nan 0.000 0.556 357 S N 0.925 116.733 115.700 0.180 0.000 2.324 357 S HA -0.030 4.440 4.470 -0.000 0.000 0.210 357 S C 1.736 176.406 174.600 0.117 0.000 1.027 357 S CA 1.197 59.474 58.200 0.128 0.000 0.945 357 S CB -0.871 62.395 63.200 0.110 0.000 0.908 357 S HN 0.883 nan 8.310 nan 0.000 0.496 358 S N -0.605 115.175 115.700 0.132 0.000 2.631 358 S HA 0.259 4.729 4.470 -0.000 0.000 0.217 358 S C -0.187 174.487 174.600 0.123 0.000 0.958 358 S CA -0.472 57.787 58.200 0.099 0.000 0.920 358 S CB -0.350 62.896 63.200 0.077 0.000 0.776 358 S HN 0.603 nan 8.310 nan 0.000 0.517 359 Y N 1.334 121.611 120.300 -0.039 0.000 2.457 359 Y HA 0.506 5.056 4.550 -0.000 0.000 0.343 359 Y C -1.568 174.222 175.900 -0.182 0.000 0.994 359 Y CA -1.480 56.513 58.100 -0.177 0.000 1.031 359 Y CB 1.713 39.945 38.460 -0.379 0.000 1.246 359 Y HN 0.079 nan 8.280 nan 0.000 0.449 360 D N 3.761 123.613 120.400 -0.913 0.000 2.380 360 D HA 0.152 4.792 4.640 -0.000 0.000 0.230 360 D C -0.241 175.689 176.300 -0.616 0.000 1.154 360 D CA 0.180 53.855 54.000 -0.541 0.000 0.859 360 D CB 0.435 41.028 40.800 -0.345 0.000 1.045 360 D HN 0.555 nan 8.370 nan 0.000 0.495 361 Y N 1.976 122.270 120.300 -0.010 0.000 2.475 361 Y HA 0.022 4.572 4.550 -0.000 0.000 0.289 361 Y C 2.111 178.098 175.900 0.144 0.000 1.121 361 Y CA 0.412 58.656 58.100 0.239 0.000 1.257 361 Y CB -0.004 38.643 38.460 0.312 0.000 1.026 361 Y HN 0.517 nan 8.280 nan 0.000 0.555 362 E N 0.261 120.593 120.200 0.219 0.000 2.095 362 E HA -0.371 3.979 4.350 -0.000 0.000 0.212 362 E C 2.321 178.997 176.600 0.126 0.000 1.044 362 E CA 1.838 58.339 56.400 0.167 0.000 0.857 362 E CB -0.209 29.544 29.700 0.088 0.000 0.764 362 E HN 0.483 nan 8.360 nan 0.000 0.462 363 A N 0.276 123.138 122.820 0.070 0.000 1.872 363 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 363 A C 2.102 179.700 177.584 0.022 0.000 1.187 363 A CA 1.116 53.171 52.037 0.030 0.000 0.614 363 A CB -0.585 18.418 19.000 0.004 0.000 0.826 363 A HN 0.308 nan 8.150 nan 0.000 0.442 364 L N 0.205 121.476 121.223 0.080 0.000 2.012 364 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 364 L C 1.730 178.573 176.870 -0.046 0.000 1.073 364 L CA 2.644 57.520 54.840 0.059 0.000 0.748 364 L CB -0.646 41.539 42.059 0.211 0.000 0.891 364 L HN 0.328 nan 8.230 nan 0.000 0.431 365 D N -0.548 119.896 120.400 0.075 0.000 2.104 365 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 365 D C 2.153 178.301 176.300 -0.253 0.000 0.994 365 D CA 1.457 55.429 54.000 -0.048 0.000 0.830 365 D CB 0.009 40.904 40.800 0.159 0.000 0.959 365 D HN 0.422 nan 8.370 nan 0.000 0.452 366 E N 0.304 120.458 120.200 -0.078 0.000 2.072 366 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 366 E C 1.902 178.408 176.600 -0.157 0.000 0.985 366 E CA 1.200 57.566 56.400 -0.058 0.000 0.801 366 E CB -0.334 29.374 29.700 0.014 0.000 0.750 366 E HN 0.172 nan 8.360 nan 0.000 0.452 367 A N 0.487 123.197 122.820 -0.185 0.000 1.908 367 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 367 A C 2.170 179.546 177.584 -0.348 0.000 1.181 367 A CA 1.899 53.793 52.037 -0.238 0.000 0.627 367 A CB -0.510 18.371 19.000 -0.198 0.000 0.818 367 A HN 0.254 nan 8.150 nan 0.000 0.445 368 M N -0.449 118.836 119.600 -0.525 0.000 2.117 368 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 368 M C 2.505 178.387 176.300 -0.697 0.000 1.065 368 M CA 1.922 56.721 55.300 -0.835 0.000 1.114 368 M CB -1.418 30.192 32.600 -1.650 0.000 1.361 368 M HN 0.539 nan 8.290 nan 0.000 0.408 369 S N 0.401 115.782 115.700 -0.532 0.000 2.356 369 S HA -0.067 4.403 4.470 -0.000 0.000 0.223 369 S C 1.920 176.499 174.600 -0.035 0.000 1.032 369 S CA 0.969 59.139 58.200 -0.050 0.000 1.005 369 S CB -0.138 63.110 63.200 0.080 0.000 0.867 369 S HN 0.411 nan 8.310 nan 0.000 0.449 370 I N 0.693 121.200 120.570 -0.105 0.000 2.226 370 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 370 I C 2.767 178.803 176.117 -0.135 0.000 1.100 370 I CA 1.273 62.517 61.300 -0.093 0.000 1.374 370 I CB -0.536 37.380 38.000 -0.140 0.000 1.057 370 I HN 0.328 nan 8.210 nan 0.000 0.413 371 S N 0.427 116.000 115.700 -0.211 0.000 2.356 371 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 371 S C 2.124 176.635 174.600 -0.149 0.000 1.032 371 S CA 1.344 59.419 58.200 -0.209 0.000 1.005 371 S CB -0.221 62.820 63.200 -0.265 0.000 0.867 371 S HN 0.217 nan 8.310 nan 0.000 0.449 372 V N 1.623 121.453 119.914 -0.140 0.000 2.343 372 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 372 V C 2.563 178.664 176.094 0.011 0.000 1.051 372 V CA 2.261 64.526 62.300 -0.059 0.000 1.036 372 V CB -0.819 31.058 31.823 0.089 0.000 0.654 372 V HN 0.527 nan 8.190 nan 0.000 0.451 373 E N -0.169 120.043 120.200 0.019 0.000 2.153 373 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 373 E C 1.911 178.512 176.600 0.003 0.000 0.988 373 E CA 1.307 57.726 56.400 0.032 0.000 0.811 373 E CB -0.140 29.586 29.700 0.042 0.000 0.746 373 E HN 0.368 nan 8.360 nan 0.000 0.466 374 M N 0.207 119.788 119.600 -0.032 0.000 2.561 374 M HA 0.148 4.627 4.480 -0.000 0.000 0.238 374 M C 0.054 176.401 176.300 0.078 0.000 1.131 374 M CA 0.090 55.351 55.300 -0.065 0.000 1.046 374 M CB -0.431 32.042 32.600 -0.213 0.000 1.532 374 M HN 0.051 nan 8.290 nan 0.000 0.497 375 L N 2.412 123.674 121.223 0.065 0.000 2.499 375 L HA 0.004 4.344 4.340 -0.000 0.000 0.273 375 L C 1.053 177.980 176.870 0.095 0.000 1.195 375 L CA -0.045 54.853 54.840 0.097 0.000 0.882 375 L CB 0.087 42.204 42.059 0.098 0.000 1.133 375 L HN 0.356 nan 8.230 nan 0.000 0.483 376 R N 2.541 123.099 120.500 0.097 0.000 2.698 376 R HA 0.013 4.353 4.340 -0.000 0.000 0.266 376 R C 0.441 176.771 176.300 0.049 0.000 1.026 376 R CA -0.604 55.537 56.100 0.069 0.000 1.102 376 R CB 0.593 30.922 30.300 0.048 0.000 0.978 376 R HN 0.496 nan 8.270 nan 0.000 0.436 377 E N 1.633 121.851 120.200 0.029 0.000 2.153 377 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 377 E C 0.875 177.468 176.600 -0.012 0.000 0.988 377 E CA 1.695 58.102 56.400 0.011 0.000 0.811 377 E CB -0.187 29.514 29.700 0.002 0.000 0.746 377 E HN 0.805 nan 8.360 nan 0.000 0.466 378 D N -0.010 120.384 120.400 -0.009 0.000 2.349 378 D HA -0.066 4.574 4.640 -0.000 0.000 0.224 378 D C 1.704 177.995 176.300 -0.014 0.000 1.029 378 D CA 0.162 54.141 54.000 -0.034 0.000 0.879 378 D CB -0.477 40.318 40.800 -0.008 0.000 0.906 378 D HN 0.431 nan 8.370 nan 0.000 0.528 379 I N -4.348 116.251 120.570 0.050 0.000 4.327 379 I HA 0.281 4.451 4.170 -0.000 0.000 0.331 379 I C 1.483 177.735 176.117 0.227 0.000 1.348 379 I CA -0.667 60.749 61.300 0.194 0.000 1.152 379 I CB 0.286 38.387 38.000 0.168 0.000 1.151 379 I HN -0.272 nan 8.210 nan 0.000 0.410 380 K N 1.784 122.249 120.400 0.108 0.000 2.044 380 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 380 K C 1.291 177.938 176.600 0.079 0.000 1.049 380 K CA 2.315 58.672 56.287 0.116 0.000 0.927 380 K CB -0.216 32.320 32.500 0.060 0.000 0.713 380 K HN 0.347 nan 8.250 nan 0.000 0.443 381 D N -0.043 120.309 120.400 -0.079 0.000 2.117 381 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 381 D C 1.898 178.141 176.300 -0.095 0.000 0.987 381 D CA 1.165 55.081 54.000 -0.139 0.000 0.829 381 D CB -0.328 40.295 40.800 -0.295 0.000 0.961 381 D HN 0.185 nan 8.370 nan 0.000 0.460 382 Y N -0.287 119.979 120.300 -0.057 0.000 2.165 382 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 382 Y C 2.329 178.339 175.900 0.184 0.000 1.155 382 Y CA 0.725 58.737 58.100 -0.147 0.000 1.164 382 Y CB -1.036 37.091 38.460 -0.555 0.000 0.978 382 Y HN 0.093 nan 8.280 nan 0.000 0.513 383 Y N 0.628 121.009 120.300 0.136 0.000 2.242 383 Y HA -0.219 4.331 4.550 -0.000 0.000 0.291 383 Y C 2.461 178.338 175.900 -0.039 0.000 1.137 383 Y CA 1.909 59.878 58.100 -0.218 0.000 1.181 383 Y CB -0.669 37.519 38.460 -0.454 0.000 0.989 383 Y HN 0.077 nan 8.280 nan 0.000 0.527 384 T N 0.148 114.718 114.554 0.027 0.000 2.720 384 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 384 T C 1.352 176.038 174.700 -0.024 0.000 1.037 384 T CA 1.642 63.734 62.100 -0.013 0.000 1.144 384 T CB -0.385 68.503 68.868 0.033 0.000 0.864 384 T HN 0.348 nan 8.240 nan 0.000 0.444 385 D N 1.252 121.706 120.400 0.091 0.000 2.190 385 D HA -0.045 4.595 4.640 -0.000 0.000 0.200 385 D C 1.857 178.179 176.300 0.037 0.000 0.992 385 D CA 0.722 54.813 54.000 0.151 0.000 0.854 385 D CB -0.352 40.737 40.800 0.482 0.000 0.936 385 D HN 0.360 nan 8.370 nan 0.000 0.462 386 L N 0.631 121.833 121.223 -0.035 0.000 2.551 386 L HA -0.041 4.299 4.340 -0.000 0.000 0.228 386 L C 1.998 178.773 176.870 -0.158 0.000 1.153 386 L CA 0.224 54.984 54.840 -0.132 0.000 0.851 386 L CB -0.275 41.624 42.059 -0.267 0.000 0.959 386 L HN -0.097 nan 8.230 nan 0.000 0.451 387 S N 0.991 116.598 115.700 -0.155 0.000 2.465 387 S HA -0.140 4.330 4.470 -0.000 0.000 0.241 387 S C 1.800 176.367 174.600 -0.055 0.000 1.000 387 S CA 1.270 59.412 58.200 -0.096 0.000 0.964 387 S CB -0.297 62.853 63.200 -0.083 0.000 0.763 387 S HN 0.640 nan 8.310 nan 0.000 0.512 388 I N -1.298 119.222 120.570 -0.083 0.000 3.578 388 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 388 I C 0.062 176.268 176.117 0.149 0.000 1.280 388 I CA -0.069 61.200 61.300 -0.053 0.000 1.347 388 I CB -0.275 37.578 38.000 -0.244 0.000 1.051 388 I HN 0.034 nan 8.210 nan 0.000 0.460 389 L N 2.406 123.669 121.223 0.067 0.000 2.456 389 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 389 L C 0.165 177.067 176.870 0.054 0.000 1.189 389 L CA 0.367 55.248 54.840 0.070 0.000 0.846 389 L CB 0.358 42.443 42.059 0.045 0.000 1.111 389 L HN 0.366 nan 8.230 nan 0.000 0.475 390 Q N 2.308 122.095 119.800 -0.022 0.000 2.205 390 Q HA 0.337 4.677 4.340 -0.000 0.000 0.249 390 Q C -0.675 175.291 176.000 -0.055 0.000 0.948 390 Q CA -0.914 54.834 55.803 -0.092 0.000 0.895 390 Q CB 1.676 30.212 28.738 -0.337 0.000 1.249 390 Q HN 0.402 nan 8.270 nan 0.000 0.458 391 K N 1.717 122.086 120.400 -0.052 0.000 2.436 391 K HA -0.053 4.267 4.320 -0.000 0.000 0.275 391 K C -0.574 175.984 176.600 -0.071 0.000 0.999 391 K CA 0.206 56.470 56.287 -0.039 0.000 0.980 391 K CB 0.277 32.747 32.500 -0.051 0.000 0.919 391 K HN 0.631 nan 8.250 nan 0.000 0.484 392 D N -0.432 119.940 120.400 -0.046 0.000 2.945 392 D HA -0.147 4.493 4.640 -0.000 0.000 0.225 392 D C -0.834 175.435 176.300 -0.051 0.000 1.158 392 D CA 0.723 54.686 54.000 -0.061 0.000 0.805 392 D CB -1.331 39.422 40.800 -0.078 0.000 1.098 392 D HN 0.113 nan 8.370 nan 0.000 0.426 393 V N 0.398 120.292 119.914 -0.033 0.000 2.531 393 V HA 0.274 4.393 4.120 -0.000 0.000 0.301 393 V C 0.298 176.435 176.094 0.071 0.000 1.034 393 V CA -0.818 61.479 62.300 -0.005 0.000 0.865 393 V CB 2.485 34.222 31.823 -0.143 0.000 0.995 393 V HN -0.086 nan 8.190 nan 0.000 0.424 394 K N 3.756 124.206 120.400 0.083 0.000 2.281 394 K HA 0.624 4.944 4.320 -0.000 0.000 0.272 394 K C -0.997 175.692 176.600 0.148 0.000 1.048 394 K CA -0.539 55.824 56.287 0.127 0.000 0.898 394 K CB 2.070 34.579 32.500 0.014 0.000 1.128 394 K HN 0.441 nan 8.250 nan 0.000 0.460 395 V N 5.692 125.699 119.914 0.155 0.000 2.439 395 V HA 0.236 4.356 4.120 -0.000 0.000 0.282 395 V C -1.878 174.261 176.094 0.075 0.000 1.039 395 V CA -2.065 60.261 62.300 0.042 0.000 0.913 395 V CB 1.106 32.872 31.823 -0.095 0.000 0.983 395 V HN 0.672 nan 8.190 nan 0.000 0.460 396 P HA 0.163 nan 4.420 nan 0.000 0.274 396 P C 0.883 178.228 177.300 0.076 0.000 1.237 396 P CA -0.115 63.028 63.100 0.070 0.000 0.793 396 P CB 0.664 32.389 31.700 0.042 0.000 0.977 397 T N 0.648 115.316 114.554 0.191 0.000 2.699 397 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 397 T C 1.640 176.340 174.700 0.001 0.000 1.036 397 T CA 1.986 64.188 62.100 0.171 0.000 1.147 397 T CB -0.456 68.545 68.868 0.221 0.000 0.862 397 T HN 0.431 nan 8.240 nan 0.000 0.446 398 K N 1.288 121.692 120.400 0.006 0.000 2.152 398 K HA -0.041 4.278 4.320 -0.000 0.000 0.206 398 K C 1.995 178.550 176.600 -0.075 0.000 1.048 398 K CA 0.957 57.236 56.287 -0.012 0.000 0.933 398 K CB -0.891 31.647 32.500 0.064 0.000 0.721 398 K HN 0.234 nan 8.250 nan 0.000 0.447 399 V N 0.780 120.605 119.914 -0.147 0.000 2.392 399 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 399 V C 2.156 178.072 176.094 -0.297 0.000 1.059 399 V CA 1.827 63.977 62.300 -0.251 0.000 1.051 399 V CB -0.369 31.051 31.823 -0.672 0.000 0.658 399 V HN 0.274 nan 8.190 nan 0.000 0.455 400 L N -1.508 119.485 121.223 -0.385 0.000 2.270 400 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 400 L C 2.541 179.118 176.870 -0.488 0.000 1.104 400 L CA 0.656 55.101 54.840 -0.658 0.000 0.804 400 L CB -0.632 40.950 42.059 -0.794 0.000 0.937 400 L HN 0.328 nan 8.230 nan 0.000 0.450 401 C N 0.179 119.335 119.300 -0.239 0.000 2.413 401 C HA -0.191 4.269 4.460 -0.000 0.000 0.276 401 C C 2.709 177.567 174.990 -0.219 0.000 1.248 401 C CA 0.695 59.639 59.018 -0.123 0.000 1.742 401 C CB -0.672 27.015 27.740 -0.088 0.000 2.017 401 C HN 0.424 nan 8.230 nan 0.000 0.481 402 I N 0.134 120.465 120.570 -0.399 0.000 2.113 402 I HA -0.223 3.947 4.170 -0.000 0.000 0.238 402 I C 2.636 178.641 176.117 -0.188 0.000 1.070 402 I CA 1.435 62.390 61.300 -0.574 0.000 1.332 402 I CB -0.598 37.169 38.000 -0.389 0.000 1.044 402 I HN 0.333 nan 8.210 nan 0.000 0.402 403 L N -0.033 121.080 121.223 -0.182 0.000 2.051 403 L HA -0.258 4.082 4.340 -0.000 0.000 0.214 403 L C 1.920 178.827 176.870 0.062 0.000 1.076 403 L CA 1.920 56.668 54.840 -0.153 0.000 0.758 403 L CB -0.281 41.487 42.059 -0.484 0.000 0.890 403 L HN 0.468 nan 8.230 nan 0.000 0.433 404 W N -0.971 120.357 121.300 0.045 0.000 3.220 404 W HA 0.154 4.814 4.660 -0.000 0.000 0.328 404 W C 0.690 177.266 176.519 0.094 0.000 1.205 404 W CA -0.436 56.967 57.345 0.096 0.000 1.773 404 W CB -0.778 28.707 29.460 0.043 0.000 1.086 404 W HN 0.246 nan 8.180 nan 0.000 0.622 405 D N 0.720 121.280 120.400 0.268 0.000 2.708 405 D HA -0.215 4.425 4.640 -0.000 0.000 0.236 405 D C -0.058 176.380 176.300 0.230 0.000 1.146 405 D CA 1.022 55.188 54.000 0.277 0.000 0.662 405 D CB -1.092 39.860 40.800 0.253 0.000 1.059 405 D HN 0.064 nan 8.370 nan 0.000 0.428 406 M N -0.182 119.538 119.600 0.199 0.000 2.602 406 M HA 0.328 4.808 4.480 -0.000 0.000 0.312 406 M C 0.281 176.647 176.300 0.111 0.000 1.181 406 M CA -1.063 54.325 55.300 0.146 0.000 0.910 406 M CB 2.012 34.698 32.600 0.142 0.000 1.723 406 M HN -0.045 nan 8.290 nan 0.000 0.459 407 E N 0.584 120.833 120.200 0.081 0.000 2.398 407 E HA 0.073 4.423 4.350 -0.000 0.000 0.263 407 E C 0.396 177.022 176.600 0.044 0.000 1.046 407 E CA 0.497 56.933 56.400 0.060 0.000 0.908 407 E CB 0.920 30.646 29.700 0.043 0.000 0.963 407 E HN 0.648 nan 8.360 nan 0.000 0.431 408 T N 3.345 117.920 114.554 0.035 0.000 2.653 408 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 408 T C 1.096 175.805 174.700 0.015 0.000 1.035 408 T CA 2.013 64.126 62.100 0.023 0.000 1.154 408 T CB -0.268 68.605 68.868 0.008 0.000 0.862 408 T HN 0.524 nan 8.240 nan 0.000 0.441 409 E N 0.720 120.923 120.200 0.005 0.000 2.077 409 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 409 E C 2.248 178.843 176.600 -0.008 0.000 0.989 409 E CA 0.978 57.375 56.400 -0.004 0.000 0.800 409 E CB -0.150 29.545 29.700 -0.008 0.000 0.746 409 E HN 0.562 nan 8.360 nan 0.000 0.452 410 E N -0.036 120.158 120.200 -0.010 0.000 2.072 410 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 410 E C 1.959 178.529 176.600 -0.050 0.000 0.985 410 E CA 0.971 57.350 56.400 -0.036 0.000 0.801 410 E CB 0.166 29.848 29.700 -0.030 0.000 0.750 410 E HN 0.063 nan 8.360 nan 0.000 0.452 411 V N 1.220 121.139 119.914 0.009 0.000 2.295 411 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 411 V C 2.002 178.116 176.094 0.034 0.000 1.049 411 V CA 2.046 64.390 62.300 0.073 0.000 1.024 411 V CB -0.420 31.468 31.823 0.107 0.000 0.648 411 V HN 0.279 nan 8.190 nan 0.000 0.447 412 E N -0.396 119.832 120.200 0.048 0.000 2.150 412 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 412 E C 1.951 178.584 176.600 0.055 0.000 0.985 412 E CA 1.220 57.692 56.400 0.121 0.000 0.814 412 E CB -0.147 29.659 29.700 0.177 0.000 0.752 412 E HN 0.584 nan 8.360 nan 0.000 0.466 413 D N 0.706 121.094 120.400 -0.020 0.000 2.097 413 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 413 D C 1.957 178.155 176.300 -0.169 0.000 0.989 413 D CA 0.885 54.837 54.000 -0.081 0.000 0.827 413 D CB -0.157 40.591 40.800 -0.087 0.000 0.966 413 D HN 0.156 nan 8.370 nan 0.000 0.456 414 I N 0.556 120.991 120.570 -0.226 0.000 2.179 414 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 414 I C 2.400 178.187 176.117 -0.549 0.000 1.088 414 I CA 0.751 61.802 61.300 -0.415 0.000 1.357 414 I CB -0.159 37.544 38.000 -0.494 0.000 1.051 414 I HN -0.018 nan 8.210 nan 0.000 0.409 415 L N -0.044 121.035 121.223 -0.241 0.000 2.131 415 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 415 L C 2.608 179.465 176.870 -0.021 0.000 1.092 415 L CA 1.047 55.829 54.840 -0.097 0.000 0.759 415 L CB -0.560 41.331 42.059 -0.281 0.000 0.903 415 L HN 0.301 nan 8.230 nan 0.000 0.435 416 Q N 0.645 120.426 119.800 -0.032 0.000 2.124 416 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 416 Q C 1.955 177.895 176.000 -0.099 0.000 0.977 416 Q CA 1.585 57.382 55.803 -0.011 0.000 0.850 416 Q CB -0.035 28.657 28.738 -0.076 0.000 0.901 416 Q HN 0.446 nan 8.270 nan 0.000 0.429 417 E N -0.797 119.263 120.200 -0.233 0.000 2.085 417 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 417 E C 1.678 178.186 176.600 -0.153 0.000 0.994 417 E CA 1.214 57.463 56.400 -0.253 0.000 0.801 417 E CB -0.234 29.232 29.700 -0.389 0.000 0.743 417 E HN 0.387 nan 8.360 nan 0.000 0.453 418 F N 0.459 120.386 119.950 -0.038 0.000 2.134 418 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 418 F C 2.403 178.144 175.800 -0.097 0.000 1.097 418 F CA 0.512 58.471 58.000 -0.069 0.000 1.264 418 F CB -1.152 37.878 39.000 0.050 0.000 1.001 418 F HN -0.138 nan 8.300 nan 0.000 0.479 419 V N 0.515 120.505 119.914 0.127 0.000 2.343 419 V HA -0.286 3.833 4.120 -0.000 0.000 0.247 419 V C 2.122 178.198 176.094 -0.029 0.000 1.051 419 V CA 1.938 64.243 62.300 0.008 0.000 1.036 419 V CB -0.705 31.196 31.823 0.130 0.000 0.654 419 V HN 0.305 nan 8.190 nan 0.000 0.451 420 N N 0.269 118.969 118.700 -0.001 0.000 2.364 420 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 420 N C 1.594 177.117 175.510 0.021 0.000 1.022 420 N CA 1.038 54.093 53.050 0.008 0.000 0.883 420 N CB -0.224 38.247 38.487 -0.027 0.000 0.965 420 N HN 0.527 nan 8.380 nan 0.000 0.438 421 K N 0.059 120.443 120.400 -0.026 0.000 2.404 421 K HA 0.202 4.521 4.320 -0.000 0.000 0.194 421 K C 0.148 176.676 176.600 -0.121 0.000 1.023 421 K CA 0.001 56.245 56.287 -0.071 0.000 1.094 421 K CB 0.405 32.862 32.500 -0.072 0.000 0.841 421 K HN -0.132 nan 8.250 nan 0.000 0.523 422 S N 0.473 116.097 115.700 -0.127 0.000 3.561 422 S HA -0.147 4.323 4.470 -0.000 0.000 0.318 422 S C 0.581 175.028 174.600 -0.255 0.000 1.181 422 S CA 0.438 58.502 58.200 -0.226 0.000 0.916 422 S CB -1.466 61.700 63.200 -0.056 0.000 0.966 422 S HN 0.355 nan 8.310 nan 0.000 0.550 423 L N -0.887 120.209 121.223 -0.212 0.000 2.607 423 L HA 0.442 4.782 4.340 -0.000 0.000 0.228 423 L C 0.206 177.093 176.870 0.029 0.000 1.123 423 L CA 0.304 55.075 54.840 -0.114 0.000 0.890 423 L CB 0.359 42.228 42.059 -0.317 0.000 1.103 423 L HN 0.375 nan 8.230 nan 0.000 0.468 424 L N -1.395 119.694 121.223 -0.223 0.000 2.653 424 L HA 0.505 4.845 4.340 -0.000 0.000 0.257 424 L C -1.745 174.738 176.870 -0.646 0.000 0.969 424 L CA -0.330 54.436 54.840 -0.124 0.000 0.869 424 L CB 1.925 44.097 42.059 0.188 0.000 1.439 424 L HN -0.260 nan 8.230 nan 0.000 0.414 425 F N 1.773 121.604 119.950 -0.199 0.000 2.577 425 F HA 0.739 5.266 4.527 -0.000 0.000 0.318 425 F C -0.263 175.284 175.800 -0.423 0.000 1.065 425 F CA -0.623 57.103 58.000 -0.457 0.000 0.929 425 F CB 2.025 40.414 39.000 -1.018 0.000 1.237 425 F HN 0.541 nan 8.300 nan 0.000 0.468 426 C N 2.338 121.538 119.300 -0.166 0.000 2.446 426 C HA 0.572 5.032 4.460 -0.000 0.000 0.329 426 C C -1.412 173.393 174.990 -0.307 0.000 1.166 426 C CA -0.607 58.222 59.018 -0.315 0.000 1.341 426 C CB 0.124 27.646 27.740 -0.364 0.000 1.970 426 C HN 0.746 nan 8.230 nan 0.000 0.452 427 D N 3.942 124.214 120.400 -0.213 0.000 2.280 427 D HA 0.457 5.097 4.640 -0.000 0.000 0.236 427 D C -0.352 175.707 176.300 -0.402 0.000 1.082 427 D CA -0.056 53.798 54.000 -0.243 0.000 0.834 427 D CB 1.148 41.871 40.800 -0.128 0.000 1.100 427 D HN 0.484 nan 8.370 nan 0.000 0.486 428 R N 1.864 122.081 120.500 -0.471 0.000 2.265 428 R HA 0.374 4.714 4.340 -0.000 0.000 0.328 428 R C -0.303 175.839 176.300 -0.262 0.000 0.969 428 R CA -0.669 55.149 56.100 -0.470 0.000 0.832 428 R CB 0.474 30.391 30.300 -0.639 0.000 1.139 428 R HN 0.096 nan 8.270 nan 0.000 0.457 429 N N 2.114 120.718 118.700 -0.160 0.000 2.800 429 N HA 0.308 5.048 4.740 -0.000 0.000 0.240 429 N C 0.496 175.893 175.510 -0.188 0.000 1.096 429 N CA 0.761 53.712 53.050 -0.165 0.000 0.877 429 N CB 0.840 39.259 38.487 -0.114 0.000 1.138 429 N HN 0.708 nan 8.380 nan 0.000 0.509 430 G N 3.503 112.055 108.800 -0.413 0.000 2.620 430 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.315 430 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.315 430 G C 0.955 175.653 174.900 -0.336 0.000 1.179 430 G CA 1.066 45.678 45.100 -0.814 0.000 0.971 430 G HN 0.676 nan 8.290 nan 0.000 0.544 431 K N 0.078 120.446 120.400 -0.053 0.000 2.305 431 K HA 0.426 4.746 4.320 -0.000 0.000 0.199 431 K C 1.150 177.775 176.600 0.041 0.000 1.047 431 K CA 1.250 57.574 56.287 0.061 0.000 0.976 431 K CB 0.128 32.684 32.500 0.093 0.000 0.765 431 K HN 0.306 nan 8.250 nan 0.000 0.474 432 S N 1.426 117.181 115.700 0.091 0.000 2.448 432 S HA 0.284 4.754 4.470 -0.000 0.000 0.279 432 S C -1.027 173.763 174.600 0.317 0.000 1.195 432 S CA -0.555 57.724 58.200 0.132 0.000 1.051 432 S CB 0.030 63.270 63.200 0.067 0.000 0.948 432 S HN 0.116 nan 8.310 nan 0.000 0.493 433 F N 3.035 122.953 119.950 -0.054 0.000 2.458 433 F HA 0.551 5.078 4.527 -0.000 0.000 0.336 433 F C 0.711 176.381 175.800 -0.216 0.000 1.114 433 F CA -1.268 56.630 58.000 -0.170 0.000 0.987 433 F CB 1.351 40.290 39.000 -0.101 0.000 1.130 433 F HN 0.349 nan 8.300 nan 0.000 0.458 434 R N 2.718 123.080 120.500 -0.231 0.000 2.628 434 R HA 0.542 4.882 4.340 -0.000 0.000 0.288 434 R C -1.781 174.372 176.300 -0.244 0.000 0.980 434 R CA -0.859 55.166 56.100 -0.125 0.000 0.891 434 R CB 2.268 32.564 30.300 -0.007 0.000 1.188 434 R HN 0.499 nan 8.270 nan 0.000 0.450 435 Y N 2.193 122.609 120.300 0.192 0.000 2.429 435 Y HA 0.488 5.038 4.550 -0.000 0.000 0.342 435 Y C -0.375 175.699 175.900 0.290 0.000 1.004 435 Y CA -0.748 57.465 58.100 0.189 0.000 1.075 435 Y CB 1.629 40.165 38.460 0.127 0.000 1.214 435 Y HN 0.517 nan 8.280 nan 0.000 0.455 436 Y N -0.620 119.855 120.300 0.292 0.000 2.638 436 Y HA 0.794 5.344 4.550 -0.000 0.000 0.335 436 Y C -2.228 173.878 175.900 0.343 0.000 1.155 436 Y CA -2.015 56.222 58.100 0.228 0.000 1.046 436 Y CB 0.904 39.441 38.460 0.128 0.000 1.303 436 Y HN 0.460 nan 8.280 nan 0.000 0.460 437 L N 2.538 123.976 121.223 0.358 0.000 2.330 437 L HA 0.414 4.754 4.340 -0.000 0.000 0.271 437 L C 0.046 177.110 176.870 0.324 0.000 1.013 437 L CA -1.184 53.867 54.840 0.352 0.000 0.816 437 L CB 1.485 43.689 42.059 0.242 0.000 1.287 437 L HN 0.782 nan 8.230 nan 0.000 0.435 438 H N 1.434 120.623 119.070 0.200 0.000 2.790 438 H HA -0.023 4.533 4.556 -0.000 0.000 0.358 438 H C -0.012 175.382 175.328 0.111 0.000 1.103 438 H CA 0.096 56.186 56.048 0.070 0.000 1.426 438 H CB 1.419 31.185 29.762 0.007 0.000 1.424 438 H HN 0.665 nan 8.280 nan 0.000 0.599 439 D N 3.997 124.321 120.400 -0.126 0.000 2.170 439 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 439 D C 2.296 178.720 176.300 0.208 0.000 1.004 439 D CA 1.324 55.346 54.000 0.037 0.000 0.860 439 D CB 0.023 40.810 40.800 -0.022 0.000 0.931 439 D HN 0.560 nan 8.370 nan 0.000 0.448 440 L N 0.100 121.544 121.223 0.369 0.000 2.201 440 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 440 L C 2.333 179.387 176.870 0.306 0.000 1.105 440 L CA 0.962 55.964 54.840 0.269 0.000 0.775 440 L CB -0.317 41.764 42.059 0.037 0.000 0.913 440 L HN 0.078 nan 8.230 nan 0.000 0.440 441 Q N -0.860 119.117 119.800 0.295 0.000 2.187 441 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 441 Q C 2.384 178.545 176.000 0.269 0.000 0.957 441 Q CA 0.837 56.807 55.803 0.278 0.000 0.857 441 Q CB 0.052 28.958 28.738 0.280 0.000 0.929 441 Q HN 0.333 nan 8.270 nan 0.000 0.453 442 V N 1.767 121.811 119.914 0.216 0.000 2.295 442 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 442 V C 1.575 177.763 176.094 0.156 0.000 1.049 442 V CA 1.993 64.386 62.300 0.155 0.000 1.024 442 V CB -0.481 31.412 31.823 0.117 0.000 0.648 442 V HN 0.324 nan 8.190 nan 0.000 0.447 443 D N -0.402 120.114 120.400 0.193 0.000 2.104 443 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 443 D C 1.899 178.274 176.300 0.125 0.000 0.994 443 D CA 1.527 55.623 54.000 0.160 0.000 0.830 443 D CB -0.390 40.564 40.800 0.256 0.000 0.959 443 D HN 0.467 nan 8.370 nan 0.000 0.452 444 F N 1.250 121.238 119.950 0.065 0.000 2.095 444 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 444 F C 2.171 178.002 175.800 0.051 0.000 1.104 444 F CA 1.270 59.280 58.000 0.018 0.000 1.232 444 F CB -0.282 38.705 39.000 -0.021 0.000 0.987 444 F HN -0.109 nan 8.300 nan 0.000 0.475 445 L N -0.741 120.546 121.223 0.108 0.000 2.156 445 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 445 L C 2.365 179.195 176.870 -0.066 0.000 1.095 445 L CA 1.528 56.359 54.840 -0.014 0.000 0.770 445 L CB -0.966 41.121 42.059 0.048 0.000 0.914 445 L HN 0.150 nan 8.230 nan 0.000 0.439 446 T N -0.971 113.575 114.554 -0.014 0.000 2.777 446 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 446 T C 1.721 176.400 174.700 -0.035 0.000 1.040 446 T CA 1.512 63.611 62.100 -0.001 0.000 1.141 446 T CB 0.022 68.914 68.868 0.040 0.000 0.868 446 T HN 0.251 nan 8.240 nan 0.000 0.444 447 E N 1.634 121.797 120.200 -0.063 0.000 2.015 447 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 447 E C 2.175 178.721 176.600 -0.090 0.000 0.991 447 E CA 1.485 57.845 56.400 -0.066 0.000 0.802 447 E CB -0.248 29.439 29.700 -0.022 0.000 0.759 447 E HN 0.363 nan 8.360 nan 0.000 0.447 448 K N -0.341 119.962 120.400 -0.162 0.000 2.074 448 K HA -0.138 4.181 4.320 -0.000 0.000 0.209 448 K C 0.541 177.088 176.600 -0.089 0.000 1.048 448 K CA 1.660 57.861 56.287 -0.143 0.000 0.926 448 K CB -0.083 32.164 32.500 -0.422 0.000 0.713 448 K HN 0.133 nan 8.250 nan 0.000 0.444 449 N N 0.459 119.108 118.700 -0.084 0.000 2.275 449 N HA -0.006 4.734 4.740 -0.000 0.000 0.236 449 N C 0.965 176.457 175.510 -0.029 0.000 1.154 449 N CA 0.064 53.087 53.050 -0.044 0.000 0.866 449 N CB 0.136 38.601 38.487 -0.036 0.000 1.093 449 N HN 0.256 nan 8.380 nan 0.000 0.515 450 C N 1.196 120.476 119.300 -0.033 0.000 2.385 450 C HA -0.204 4.256 4.460 -0.000 0.000 0.275 450 C C 2.947 177.935 174.990 -0.003 0.000 1.207 450 C CA 2.150 61.160 59.018 -0.014 0.000 1.760 450 C CB -0.997 26.730 27.740 -0.021 0.000 2.051 450 C HN 0.577 nan 8.230 nan 0.000 0.467 451 S N -0.630 115.063 115.700 -0.012 0.000 2.481 451 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 451 S C 1.639 176.240 174.600 0.001 0.000 0.996 451 S CA 1.273 59.470 58.200 -0.006 0.000 0.942 451 S CB -0.619 62.573 63.200 -0.013 0.000 0.768 451 S HN 0.879 nan 8.310 nan 0.000 0.520 452 Q N 0.158 119.958 119.800 -0.000 0.000 2.356 452 Q HA 0.349 4.689 4.340 -0.000 0.000 0.205 452 Q C 1.796 177.801 176.000 0.008 0.000 0.901 452 Q CA -0.041 55.764 55.803 0.002 0.000 0.938 452 Q CB -0.098 28.637 28.738 -0.005 0.000 1.081 452 Q HN 0.501 nan 8.270 nan 0.000 0.517 453 L N 0.794 122.030 121.223 0.022 0.000 2.012 453 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 453 L C 2.648 179.586 176.870 0.113 0.000 1.073 453 L CA 1.681 56.549 54.840 0.046 0.000 0.748 453 L CB -0.487 41.630 42.059 0.098 0.000 0.891 453 L HN 0.378 nan 8.230 nan 0.000 0.431 454 Q N -0.059 119.809 119.800 0.113 0.000 2.096 454 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 454 Q C 1.678 177.728 176.000 0.084 0.000 0.982 454 Q CA 1.931 57.801 55.803 0.112 0.000 0.850 454 Q CB 0.068 28.834 28.738 0.048 0.000 0.901 454 Q HN 0.450 nan 8.270 nan 0.000 0.422 455 D N 0.082 120.508 120.400 0.044 0.000 2.219 455 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 455 D C 1.928 178.240 176.300 0.020 0.000 0.970 455 D CA 0.690 54.706 54.000 0.027 0.000 0.851 455 D CB 0.025 40.834 40.800 0.015 0.000 0.943 455 D HN 0.324 nan 8.370 nan 0.000 0.488 456 L N 0.155 121.374 121.223 -0.005 0.000 2.044 456 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 456 L C 2.481 179.307 176.870 -0.074 0.000 1.075 456 L CA 0.882 55.688 54.840 -0.057 0.000 0.747 456 L CB -0.487 41.501 42.059 -0.118 0.000 0.903 456 L HN 0.131 nan 8.230 nan 0.000 0.435 457 H N 0.375 119.459 119.070 0.024 0.000 2.352 457 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 457 H C 2.228 177.549 175.328 -0.012 0.000 1.097 457 H CA 1.722 57.788 56.048 0.029 0.000 1.311 457 H CB -0.020 29.751 29.762 0.015 0.000 1.377 457 H HN 0.259 nan 8.280 nan 0.000 0.504 458 K N 1.327 121.787 120.400 0.100 0.000 2.152 458 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 458 K C 2.259 178.875 176.600 0.026 0.000 1.048 458 K CA 1.257 57.564 56.287 0.034 0.000 0.933 458 K CB 0.113 32.620 32.500 0.013 0.000 0.721 458 K HN 0.076 nan 8.250 nan 0.000 0.447 459 K N 0.735 121.153 120.400 0.030 0.000 2.026 459 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 459 K C 2.129 178.752 176.600 0.039 0.000 1.048 459 K CA 1.628 57.937 56.287 0.037 0.000 0.929 459 K CB -0.157 32.370 32.500 0.045 0.000 0.713 459 K HN 0.249 nan 8.250 nan 0.000 0.439 460 I N 0.972 121.549 120.570 0.012 0.000 2.315 460 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 460 I C 1.727 177.882 176.117 0.064 0.000 1.117 460 I CA 0.760 62.072 61.300 0.019 0.000 1.404 460 I CB 0.072 38.006 38.000 -0.111 0.000 1.071 460 I HN 0.192 nan 8.210 nan 0.000 0.419 461 I N 0.564 121.153 120.570 0.032 0.000 2.202 461 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 461 I C 2.535 178.688 176.117 0.059 0.000 1.091 461 I CA 1.553 62.859 61.300 0.011 0.000 1.368 461 I CB -1.913 36.067 38.000 -0.034 0.000 1.058 461 I HN 0.232 nan 8.210 nan 0.000 0.410 462 T N 0.969 115.548 114.554 0.040 0.000 2.665 462 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 462 T C 1.882 176.619 174.700 0.062 0.000 1.035 462 T CA 1.262 63.386 62.100 0.040 0.000 1.151 462 T CB -0.170 68.717 68.868 0.032 0.000 0.862 462 T HN 0.317 nan 8.240 nan 0.000 0.438 463 Q N 0.031 119.882 119.800 0.086 0.000 2.119 463 Q HA 0.019 4.359 4.340 -0.000 0.000 0.201 463 Q C 2.105 178.177 176.000 0.120 0.000 0.972 463 Q CA 0.988 56.860 55.803 0.116 0.000 0.847 463 Q CB -0.613 28.190 28.738 0.109 0.000 0.903 463 Q HN 0.623 nan 8.270 nan 0.000 0.433 464 F N 2.165 122.050 119.950 -0.109 0.000 2.126 464 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 464 F C 1.998 177.692 175.800 -0.177 0.000 1.096 464 F CA 1.548 59.381 58.000 -0.279 0.000 1.255 464 F CB -0.039 38.595 39.000 -0.610 0.000 0.997 464 F HN 0.070 nan 8.300 nan 0.000 0.479 465 Q N -0.076 119.714 119.800 -0.017 0.000 2.437 465 Q HA -0.091 4.249 4.340 -0.000 0.000 0.210 465 Q C 1.686 177.584 176.000 -0.170 0.000 0.972 465 Q CA 0.823 56.559 55.803 -0.112 0.000 0.903 465 Q CB -0.100 28.641 28.738 0.006 0.000 0.967 465 Q HN 0.503 nan 8.270 nan 0.000 0.486 466 R N -1.462 118.960 120.500 -0.129 0.000 2.312 466 R HA 0.062 4.402 4.340 -0.000 0.000 0.205 466 R C 0.587 176.692 176.300 -0.325 0.000 0.904 466 R CA 0.499 56.500 56.100 -0.166 0.000 1.052 466 R CB 0.467 30.714 30.300 -0.088 0.000 1.014 466 R HN 0.294 nan 8.270 nan 0.000 0.503 467 Y N -0.843 119.198 120.300 -0.431 0.000 2.581 467 Y HA 0.246 4.796 4.550 -0.000 0.000 0.271 467 Y C 0.773 176.181 175.900 -0.819 0.000 1.100 467 Y CA 0.227 57.974 58.100 -0.589 0.000 1.281 467 Y CB 0.693 38.752 38.460 -0.668 0.000 1.237 467 Y HN -0.054 nan 8.280 nan 0.000 0.514 468 H N -0.726 117.990 119.070 -0.590 0.000 2.949 468 H HA 0.481 5.037 4.556 -0.000 0.000 0.356 468 H C -0.998 173.904 175.328 -0.710 0.000 1.212 468 H CA -0.906 54.711 56.048 -0.719 0.000 1.136 468 H CB 1.476 30.617 29.762 -1.036 0.000 1.869 468 H HN 0.012 nan 8.280 nan 0.000 0.556 469 Q N 0.576 120.179 119.800 -0.327 0.000 2.387 469 Q HA 0.250 4.590 4.340 -0.000 0.000 0.273 469 Q C -1.849 174.066 176.000 -0.142 0.000 1.089 469 Q CA -1.934 53.710 55.803 -0.265 0.000 0.824 469 Q CB 2.519 30.998 28.738 -0.432 0.000 1.367 469 Q HN 0.244 nan 8.270 nan 0.000 0.443 470 P HA -0.238 nan 4.420 nan 0.000 0.216 470 P C 0.593 178.041 177.300 0.246 0.000 1.153 470 P CA 1.730 64.923 63.100 0.155 0.000 0.858 470 P CB 0.019 31.709 31.700 -0.018 0.000 0.789 471 H N -3.783 115.410 119.070 0.204 0.000 2.547 471 H HA 0.138 4.694 4.556 -0.000 0.000 0.272 471 H C 1.154 176.568 175.328 0.145 0.000 0.989 471 H CA 1.063 57.228 56.048 0.195 0.000 1.214 471 H CB -1.224 28.630 29.762 0.153 0.000 1.389 471 H HN -0.091 nan 8.280 nan 0.000 0.577 472 T N 0.902 115.336 114.554 -0.200 0.000 3.086 472 T HA 0.225 4.575 4.350 -0.000 0.000 0.250 472 T C 0.403 175.103 174.700 -0.000 0.000 1.074 472 T CA -0.297 61.742 62.100 -0.103 0.000 0.988 472 T CB -0.150 68.573 68.868 -0.241 0.000 0.988 472 T HN 0.216 nan 8.240 nan 0.000 0.530 473 L N 2.815 124.047 121.223 0.015 0.000 2.380 473 L HA 0.367 4.707 4.340 -0.000 0.000 0.273 473 L C 0.276 177.245 176.870 0.165 0.000 1.138 473 L CA -0.308 54.546 54.840 0.024 0.000 0.832 473 L CB 0.628 42.655 42.059 -0.054 0.000 1.124 473 L HN 0.189 nan 8.230 nan 0.000 0.454 474 S N 1.540 117.337 115.700 0.162 0.000 2.540 474 S HA 0.464 4.934 4.470 -0.000 0.000 0.275 474 S C -2.387 172.315 174.600 0.170 0.000 1.123 474 S CA -1.315 56.988 58.200 0.171 0.000 0.907 474 S CB 2.138 65.415 63.200 0.128 0.000 1.081 474 S HN 0.301 nan 8.310 nan 0.000 0.476 475 P HA -0.050 nan 4.420 nan 0.000 0.230 475 P C 0.965 178.331 177.300 0.110 0.000 1.158 475 P CA 0.840 64.016 63.100 0.126 0.000 0.769 475 P CB -0.106 31.639 31.700 0.076 0.000 0.807 476 D N -0.144 120.319 120.400 0.105 0.000 2.219 476 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 476 D C 0.674 177.040 176.300 0.110 0.000 0.970 476 D CA 0.478 54.536 54.000 0.096 0.000 0.851 476 D CB -0.424 40.429 40.800 0.087 0.000 0.943 476 D HN 0.337 nan 8.370 nan 0.000 0.488 477 Q N 1.103 120.984 119.800 0.134 0.000 2.293 477 Q HA 0.098 4.438 4.340 -0.000 0.000 0.251 477 Q C 0.908 177.004 176.000 0.160 0.000 0.930 477 Q CA -0.446 55.451 55.803 0.156 0.000 0.893 477 Q CB 1.819 30.674 28.738 0.195 0.000 1.215 477 Q HN 0.210 nan 8.270 nan 0.000 0.425 478 E N 2.580 122.869 120.200 0.149 0.000 2.204 478 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 478 E C 0.327 177.006 176.600 0.133 0.000 0.990 478 E CA 1.688 58.163 56.400 0.125 0.000 0.821 478 E CB 0.160 29.922 29.700 0.103 0.000 0.750 478 E HN 0.834 nan 8.360 nan 0.000 0.477 479 D N 0.044 120.550 120.400 0.176 0.000 2.349 479 D HA -0.072 4.568 4.640 -0.000 0.000 0.214 479 D C 1.815 178.250 176.300 0.225 0.000 1.063 479 D CA 0.084 54.172 54.000 0.148 0.000 0.847 479 D CB -0.696 40.242 40.800 0.231 0.000 0.933 479 D HN 0.222 nan 8.370 nan 0.000 0.513 480 C N 0.538 120.002 119.300 0.273 0.000 2.413 480 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 480 C C 2.370 177.589 174.990 0.382 0.000 1.236 480 C CA 0.718 59.940 59.018 0.339 0.000 1.735 480 C CB -0.814 27.100 27.740 0.290 0.000 2.031 480 C HN 0.260 nan 8.230 nan 0.000 0.474 481 M N -0.574 119.186 119.600 0.266 0.000 2.319 481 M HA -0.012 4.468 4.480 -0.000 0.000 0.265 481 M C 1.922 178.289 176.300 0.111 0.000 1.068 481 M CA 1.290 56.709 55.300 0.199 0.000 1.118 481 M CB -1.774 30.881 32.600 0.093 0.000 1.395 481 M HN 0.676 nan 8.290 nan 0.000 0.435 482 Y N -0.377 119.922 120.300 -0.002 0.000 2.128 482 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 482 Y C 1.997 177.873 175.900 -0.040 0.000 1.154 482 Y CA 1.935 59.999 58.100 -0.059 0.000 1.149 482 Y CB -0.466 37.808 38.460 -0.311 0.000 0.976 482 Y HN 0.171 nan 8.280 nan 0.000 0.505 483 W N -1.926 119.572 121.300 0.330 0.000 2.409 483 W HA -0.182 4.478 4.660 -0.000 0.000 0.299 483 W C 2.121 178.692 176.519 0.087 0.000 1.203 483 W CA 0.791 58.242 57.345 0.178 0.000 1.298 483 W CB -0.840 28.724 29.460 0.173 0.000 1.127 483 W HN 0.019 nan 8.180 nan 0.000 0.528 484 Y N 1.193 121.700 120.300 0.346 0.000 2.165 484 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 484 Y C 2.224 178.186 175.900 0.104 0.000 1.155 484 Y CA 1.599 59.853 58.100 0.258 0.000 1.164 484 Y CB -0.881 37.622 38.460 0.071 0.000 0.978 484 Y HN -0.039 nan 8.280 nan 0.000 0.513 485 N N -1.303 117.349 118.700 -0.079 0.000 2.300 485 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 485 N C 0.675 175.818 175.510 -0.611 0.000 1.016 485 N CA 1.246 53.933 53.050 -0.605 0.000 0.876 485 N CB -0.221 37.414 38.487 -1.420 0.000 0.979 485 N HN 0.290 nan 8.380 nan 0.000 0.432 486 F N -0.644 119.307 119.950 0.001 0.000 2.856 486 F HA 0.364 4.891 4.527 -0.000 0.000 0.338 486 F C 1.640 177.539 175.800 0.164 0.000 1.100 486 F CA -0.625 57.343 58.000 -0.053 0.000 1.150 486 F CB -0.303 38.377 39.000 -0.533 0.000 1.101 486 F HN -0.139 nan 8.300 nan 0.000 0.548 487 L N 0.332 121.753 121.223 0.330 0.000 1.989 487 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 487 L C 2.597 179.477 176.870 0.017 0.000 1.071 487 L CA 1.800 56.742 54.840 0.169 0.000 0.749 487 L CB -0.362 41.615 42.059 -0.137 0.000 0.890 487 L HN 0.238 nan 8.230 nan 0.000 0.431 488 A N -1.051 121.769 122.820 -0.000 0.000 1.902 488 A HA -0.316 4.004 4.320 -0.000 0.000 0.217 488 A C 2.109 179.500 177.584 -0.321 0.000 1.181 488 A CA 1.725 53.686 52.037 -0.127 0.000 0.623 488 A CB -1.016 18.017 19.000 0.054 0.000 0.818 488 A HN 0.601 nan 8.150 nan 0.000 0.443 489 Y N 0.231 120.403 120.300 -0.213 0.000 2.128 489 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 489 Y C 2.488 178.138 175.900 -0.417 0.000 1.154 489 Y CA 2.393 60.271 58.100 -0.370 0.000 1.149 489 Y CB -0.439 38.014 38.460 -0.011 0.000 0.976 489 Y HN 0.485 nan 8.280 nan 0.000 0.505 490 H N -0.526 118.416 119.070 -0.214 0.000 2.395 490 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 490 H C 2.277 177.411 175.328 -0.323 0.000 1.070 490 H CA 1.828 57.730 56.048 -0.243 0.000 1.356 490 H CB -0.284 29.583 29.762 0.174 0.000 1.401 490 H HN 0.463 nan 8.280 nan 0.000 0.524 491 M N -0.098 119.388 119.600 -0.190 0.000 2.159 491 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 491 M C 2.669 178.755 176.300 -0.357 0.000 1.063 491 M CA 1.414 56.562 55.300 -0.252 0.000 1.110 491 M CB -0.078 32.356 32.600 -0.278 0.000 1.374 491 M HN 0.213 nan 8.290 nan 0.000 0.411 492 A N -0.525 121.965 122.820 -0.551 0.000 1.897 492 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 492 A C 2.242 179.524 177.584 -0.503 0.000 1.181 492 A CA 1.765 53.450 52.037 -0.588 0.000 0.620 492 A CB -0.663 17.738 19.000 -0.998 0.000 0.821 492 A HN 0.420 nan 8.150 nan 0.000 0.443 493 S N 0.144 115.426 115.700 -0.695 0.000 2.399 493 S HA -0.007 4.463 4.470 -0.000 0.000 0.231 493 S C 1.961 176.317 174.600 -0.407 0.000 1.022 493 S CA 1.021 58.787 58.200 -0.723 0.000 0.983 493 S CB -0.297 61.967 63.200 -1.561 0.000 0.803 493 S HN 0.763 nan 8.310 nan 0.000 0.480 494 A N 0.738 123.391 122.820 -0.278 0.000 2.238 494 A HA 0.141 4.461 4.320 -0.000 0.000 0.208 494 A C 0.671 178.197 177.584 -0.097 0.000 1.177 494 A CA 0.159 52.145 52.037 -0.086 0.000 0.804 494 A CB -0.184 18.796 19.000 -0.034 0.000 0.823 494 A HN 0.206 nan 8.150 nan 0.000 0.482 495 K N -1.380 118.937 120.400 -0.138 0.000 3.016 495 K HA -0.199 4.121 4.320 -0.000 0.000 0.262 495 K C -0.231 176.323 176.600 -0.077 0.000 1.043 495 K CA 1.236 57.473 56.287 -0.083 0.000 0.761 495 K CB -2.368 30.121 32.500 -0.019 0.000 1.230 495 K HN 0.685 nan 8.250 nan 0.000 0.485 496 M N 1.896 121.398 119.600 -0.163 0.000 3.422 496 M HA 0.057 4.537 4.480 -0.000 0.000 0.248 496 M C 1.826 177.958 176.300 -0.279 0.000 1.433 496 M CA -0.174 54.982 55.300 -0.240 0.000 1.592 496 M CB 0.058 32.536 32.600 -0.203 0.000 1.078 496 M HN 0.164 nan 8.290 nan 0.000 0.578 497 H N 0.419 119.395 119.070 -0.158 0.000 2.387 497 H HA -0.074 4.482 4.556 -0.000 0.000 0.299 497 H C 1.134 176.352 175.328 -0.183 0.000 1.090 497 H CA 1.233 57.178 56.048 -0.172 0.000 1.332 497 H CB -0.186 29.502 29.762 -0.123 0.000 1.386 497 H HN 0.467 nan 8.280 nan 0.000 0.516 498 K N 0.645 120.794 120.400 -0.417 0.000 2.026 498 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 498 K C 2.303 178.763 176.600 -0.234 0.000 1.048 498 K CA 1.753 57.895 56.287 -0.243 0.000 0.929 498 K CB 0.125 32.477 32.500 -0.245 0.000 0.713 498 K HN 0.228 nan 8.250 nan 0.000 0.439 499 E N 0.846 120.894 120.200 -0.254 0.000 2.072 499 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 499 E C 1.777 178.195 176.600 -0.303 0.000 0.985 499 E CA 0.620 56.877 56.400 -0.239 0.000 0.801 499 E CB -0.115 29.458 29.700 -0.212 0.000 0.750 499 E HN 0.085 nan 8.360 nan 0.000 0.452 500 L N 0.198 121.226 121.223 -0.326 0.000 2.012 500 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 500 L C 1.967 178.516 176.870 -0.536 0.000 1.073 500 L CA 1.719 56.324 54.840 -0.392 0.000 0.748 500 L CB -0.509 41.347 42.059 -0.338 0.000 0.891 500 L HN 0.241 nan 8.230 nan 0.000 0.431 501 C N -0.775 118.165 119.300 -0.599 0.000 2.429 501 C HA -0.100 4.360 4.460 -0.000 0.000 0.277 501 C C 2.995 177.621 174.990 -0.607 0.000 1.262 501 C CA 0.595 59.021 59.018 -0.987 0.000 1.733 501 C CB -1.639 25.686 27.740 -0.692 0.000 2.010 501 C HN 0.716 nan 8.230 nan 0.000 0.483 502 A N 0.072 122.687 122.820 -0.342 0.000 1.933 502 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 502 A C 2.038 179.483 177.584 -0.233 0.000 1.175 502 A CA 1.683 53.599 52.037 -0.201 0.000 0.628 502 A CB -0.591 18.322 19.000 -0.144 0.000 0.814 502 A HN 0.514 nan 8.150 nan 0.000 0.444 503 L N -0.740 120.266 121.223 -0.361 0.000 1.988 503 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 503 L C 2.490 179.067 176.870 -0.488 0.000 1.071 503 L CA 2.284 56.815 54.840 -0.515 0.000 0.744 503 L CB -0.401 41.247 42.059 -0.684 0.000 0.893 503 L HN 0.422 nan 8.230 nan 0.000 0.433 504 M N -1.814 117.525 119.600 -0.435 0.000 2.394 504 M HA 0.003 4.483 4.480 -0.000 0.000 0.266 504 M C 0.150 176.477 176.300 0.046 0.000 1.098 504 M CA 0.349 55.531 55.300 -0.196 0.000 1.149 504 M CB 0.040 32.392 32.600 -0.415 0.000 1.369 504 M HN 0.043 nan 8.290 nan 0.000 0.450 505 F N 1.327 121.062 119.950 -0.358 0.000 2.666 505 F HA 0.302 4.829 4.527 -0.000 0.000 0.362 505 F C 0.603 176.173 175.800 -0.384 0.000 1.190 505 F CA -0.700 56.777 58.000 -0.872 0.000 1.328 505 F CB -1.007 37.706 39.000 -0.478 0.000 1.682 505 F HN -0.126 nan 8.300 nan 0.000 0.623 506 S N 0.926 116.673 115.700 0.078 0.000 2.689 506 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 506 S C 0.623 175.484 174.600 0.436 0.000 1.176 506 S CA -0.659 57.720 58.200 0.298 0.000 1.014 506 S CB 0.611 63.953 63.200 0.237 0.000 1.071 506 S HN 0.318 nan 8.310 nan 0.000 0.478 507 L N 2.794 124.251 121.223 0.389 0.000 2.131 507 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 507 L C 1.770 178.796 176.870 0.260 0.000 1.092 507 L CA 1.174 56.205 54.840 0.318 0.000 0.759 507 L CB -0.430 41.740 42.059 0.185 0.000 0.903 507 L HN 0.622 nan 8.230 nan 0.000 0.435 508 D N -0.549 119.997 120.400 0.244 0.000 2.097 508 D HA -0.245 4.395 4.640 -0.000 0.000 0.195 508 D C 1.801 178.276 176.300 0.293 0.000 0.989 508 D CA 1.129 55.264 54.000 0.225 0.000 0.827 508 D CB -0.282 40.643 40.800 0.208 0.000 0.966 508 D HN 0.445 nan 8.370 nan 0.000 0.456 509 W N 1.377 122.776 121.300 0.164 0.000 2.381 509 W HA -0.118 4.542 4.660 -0.000 0.000 0.301 509 W C 1.979 178.617 176.519 0.198 0.000 1.205 509 W CA 0.641 58.094 57.345 0.179 0.000 1.285 509 W CB -0.246 29.300 29.460 0.144 0.000 1.133 509 W HN -0.072 nan 8.180 nan 0.000 0.521 510 I N 1.012 121.738 120.570 0.260 0.000 2.163 510 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 510 I C 2.581 178.702 176.117 0.006 0.000 1.085 510 I CA 1.928 63.325 61.300 0.161 0.000 1.347 510 I CB -0.685 37.538 38.000 0.372 0.000 1.044 510 I HN -0.099 nan 8.210 nan 0.000 0.408 511 K N 1.260 121.684 120.400 0.040 0.000 2.009 511 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 511 K C 2.216 178.713 176.600 -0.172 0.000 1.049 511 K CA 1.787 58.041 56.287 -0.056 0.000 0.929 511 K CB -0.217 32.285 32.500 0.003 0.000 0.714 511 K HN 0.280 nan 8.250 nan 0.000 0.440 512 A N 1.345 124.088 122.820 -0.128 0.000 1.877 512 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 512 A C 2.108 179.464 177.584 -0.379 0.000 1.186 512 A CA 2.054 53.993 52.037 -0.163 0.000 0.620 512 A CB -0.580 18.434 19.000 0.023 0.000 0.822 512 A HN 0.452 nan 8.150 nan 0.000 0.443 513 K N -0.565 119.524 120.400 -0.518 0.000 2.057 513 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 513 K C 2.164 178.513 176.600 -0.418 0.000 1.050 513 K CA 1.958 57.873 56.287 -0.621 0.000 0.935 513 K CB -0.345 31.740 32.500 -0.692 0.000 0.715 513 K HN 0.618 nan 8.250 nan 0.000 0.439 514 T N -1.366 113.007 114.554 -0.303 0.000 2.867 514 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 514 T C 1.513 176.036 174.700 -0.295 0.000 1.057 514 T CA 1.192 63.156 62.100 -0.228 0.000 1.136 514 T CB -0.234 68.541 68.868 -0.155 0.000 0.874 514 T HN 0.322 nan 8.240 nan 0.000 0.466 515 E N 0.767 120.701 120.200 -0.443 0.000 2.268 515 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 515 E C 2.084 178.467 176.600 -0.362 0.000 0.995 515 E CA 0.717 56.708 56.400 -0.682 0.000 0.836 515 E CB -0.189 28.932 29.700 -0.965 0.000 0.763 515 E HN 0.533 nan 8.360 nan 0.000 0.491 516 L N -0.145 120.873 121.223 -0.342 0.000 2.145 516 L HA -0.031 4.309 4.340 -0.000 0.000 0.201 516 L C 2.112 178.864 176.870 -0.197 0.000 1.075 516 L CA 0.728 55.402 54.840 -0.276 0.000 0.773 516 L CB 0.197 41.977 42.059 -0.464 0.000 0.936 516 L HN 0.098 nan 8.230 nan 0.000 0.451 517 V N -4.426 115.360 119.914 -0.214 0.000 3.398 517 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 517 V C 0.669 176.711 176.094 -0.086 0.000 1.496 517 V CA 0.035 62.252 62.300 -0.137 0.000 1.044 517 V CB -0.275 31.458 31.823 -0.149 0.000 0.880 517 V HN 0.426 nan 8.190 nan 0.000 0.443 518 G N 2.022 110.766 108.800 -0.094 0.000 2.725 518 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.220 518 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.220 518 G C -1.501 173.375 174.900 -0.040 0.000 1.357 518 G CA 0.045 45.111 45.100 -0.056 0.000 0.866 518 G HN 0.360 nan 8.290 nan 0.000 0.548 519 P HA 0.210 nan 4.420 nan 0.000 0.239 519 P C 1.776 179.109 177.300 0.055 0.000 1.188 519 P CA 1.825 64.931 63.100 0.010 0.000 0.794 519 P CB 0.141 31.832 31.700 -0.015 0.000 0.937 520 A N 0.532 123.383 122.820 0.053 0.000 1.858 520 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 520 A C 2.372 180.037 177.584 0.135 0.000 1.190 520 A CA 2.014 54.095 52.037 0.074 0.000 0.617 520 A CB -1.985 17.040 19.000 0.043 0.000 0.827 520 A HN 0.199 nan 8.150 nan 0.000 0.443 521 H N -0.360 118.731 119.070 0.035 0.000 2.357 521 H HA 0.036 4.592 4.556 -0.000 0.000 0.301 521 H C 1.790 177.192 175.328 0.123 0.000 1.082 521 H CA 1.667 57.753 56.048 0.063 0.000 1.342 521 H CB -0.323 29.442 29.762 0.004 0.000 1.389 521 H HN 0.333 nan 8.280 nan 0.000 0.511 522 L N -0.217 121.039 121.223 0.055 0.000 1.990 522 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 522 L C 2.442 179.435 176.870 0.206 0.000 1.072 522 L CA 1.712 56.608 54.840 0.092 0.000 0.755 522 L CB -0.417 41.776 42.059 0.223 0.000 0.889 522 L HN 0.372 nan 8.230 nan 0.000 0.432 523 I N -1.048 119.658 120.570 0.228 0.000 2.151 523 I HA -0.408 3.762 4.170 -0.000 0.000 0.243 523 I C 2.538 178.762 176.117 0.179 0.000 1.080 523 I CA 1.733 63.180 61.300 0.244 0.000 1.339 523 I CB -0.472 37.611 38.000 0.139 0.000 1.039 523 I HN 0.380 nan 8.210 nan 0.000 0.409 524 H N 1.075 120.150 119.070 0.008 0.000 2.387 524 H HA -0.181 4.375 4.556 -0.000 0.000 0.299 524 H C 2.065 177.259 175.328 -0.223 0.000 1.099 524 H CA 1.968 57.974 56.048 -0.070 0.000 1.315 524 H CB 0.022 29.756 29.762 -0.045 0.000 1.380 524 H HN 0.350 nan 8.280 nan 0.000 0.513 525 E N -0.751 119.201 120.200 -0.415 0.000 2.106 525 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 525 E C 1.811 178.083 176.600 -0.547 0.000 0.984 525 E CA 0.948 56.909 56.400 -0.731 0.000 0.806 525 E CB -0.156 29.261 29.700 -0.471 0.000 0.750 525 E HN 0.448 nan 8.360 nan 0.000 0.458 526 F N 0.449 120.304 119.950 -0.159 0.000 2.126 526 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 526 F C 2.292 178.049 175.800 -0.072 0.000 1.096 526 F CA 0.912 58.899 58.000 -0.021 0.000 1.255 526 F CB -0.552 38.498 39.000 0.082 0.000 0.997 526 F HN -0.116 nan 8.300 nan 0.000 0.479 527 V N -0.434 119.495 119.914 0.026 0.000 2.283 527 V HA -0.248 3.872 4.120 -0.000 0.000 0.243 527 V C 2.317 178.342 176.094 -0.115 0.000 1.039 527 V CA 2.042 64.326 62.300 -0.027 0.000 1.016 527 V CB -0.541 31.255 31.823 -0.046 0.000 0.650 527 V HN 0.206 nan 8.190 nan 0.000 0.449 528 E N -0.005 119.967 120.200 -0.380 0.000 2.110 528 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 528 E C 1.668 178.240 176.600 -0.047 0.000 0.988 528 E CA 1.785 57.955 56.400 -0.384 0.000 0.804 528 E CB -0.188 28.971 29.700 -0.901 0.000 0.745 528 E HN 0.737 nan 8.360 nan 0.000 0.458 529 Y N -0.794 119.487 120.300 -0.032 0.000 2.458 529 Y HA 0.364 4.914 4.550 -0.000 0.000 0.256 529 Y C 1.849 177.659 175.900 -0.149 0.000 1.159 529 Y CA -0.203 57.829 58.100 -0.113 0.000 1.261 529 Y CB -0.292 38.064 38.460 -0.175 0.000 1.119 529 Y HN -0.022 nan 8.280 nan 0.000 0.524 530 R N 0.748 121.309 120.500 0.101 0.000 2.127 530 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 530 R C 1.880 178.208 176.300 0.047 0.000 1.134 530 R CA 2.106 58.269 56.100 0.105 0.000 0.975 530 R CB -0.322 30.063 30.300 0.141 0.000 0.865 530 R HN 0.657 nan 8.270 nan 0.000 0.447 531 H N -0.722 118.385 119.070 0.063 0.000 2.518 531 H HA -0.073 4.483 4.556 -0.000 0.000 0.289 531 H C 1.752 177.095 175.328 0.024 0.000 1.051 531 H CA 1.367 57.438 56.048 0.039 0.000 1.280 531 H CB -0.486 29.295 29.762 0.032 0.000 1.380 531 H HN 0.513 nan 8.280 nan 0.000 0.566 532 I N -1.137 119.151 120.570 -0.470 0.000 3.684 532 I HA 0.192 4.362 4.170 -0.000 0.000 0.304 532 I C -0.142 175.884 176.117 -0.151 0.000 1.278 532 I CA -0.034 61.097 61.300 -0.282 0.000 1.272 532 I CB 0.067 37.877 38.000 -0.316 0.000 1.029 532 I HN 0.056 nan 8.210 nan 0.000 0.458 533 L N 2.242 123.409 121.223 -0.093 0.000 2.379 533 L HA 0.348 4.688 4.340 -0.000 0.000 0.269 533 L C 0.087 176.916 176.870 -0.069 0.000 1.084 533 L CA -0.995 53.809 54.840 -0.059 0.000 0.802 533 L CB 0.697 42.786 42.059 0.049 0.000 1.175 533 L HN 0.242 nan 8.230 nan 0.000 0.448 534 D N 0.194 120.534 120.400 -0.101 0.000 2.393 534 D HA -0.043 4.597 4.640 -0.000 0.000 0.246 534 D C 0.682 176.983 176.300 0.002 0.000 1.275 534 D CA -0.210 53.751 54.000 -0.065 0.000 0.979 534 D CB 0.593 41.343 40.800 -0.084 0.000 1.101 534 D HN 0.544 nan 8.370 nan 0.000 0.505 535 E N -0.813 119.391 120.200 0.006 0.000 2.110 535 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 535 E C 1.833 178.455 176.600 0.037 0.000 0.988 535 E CA 0.949 57.362 56.400 0.022 0.000 0.804 535 E CB 0.088 29.797 29.700 0.014 0.000 0.745 535 E HN 0.383 nan 8.360 nan 0.000 0.458 536 K N 0.411 120.836 120.400 0.041 0.000 2.025 536 K HA -0.129 4.190 4.320 -0.000 0.000 0.207 536 K C 1.781 178.434 176.600 0.089 0.000 1.049 536 K CA 1.361 57.681 56.287 0.055 0.000 0.933 536 K CB 0.063 32.596 32.500 0.055 0.000 0.714 536 K HN 0.040 nan 8.250 nan 0.000 0.438 537 D N 0.469 120.950 120.400 0.136 0.000 2.144 537 D HA -0.152 4.487 4.640 -0.000 0.000 0.200 537 D C 1.963 178.417 176.300 0.258 0.000 0.978 537 D CA 0.671 54.833 54.000 0.269 0.000 0.833 537 D CB -0.483 40.487 40.800 0.284 0.000 0.961 537 D HN 0.205 nan 8.370 nan 0.000 0.470 538 C N 1.197 120.593 119.300 0.160 0.000 2.413 538 C HA -0.112 4.348 4.460 -0.000 0.000 0.276 538 C C 2.880 177.927 174.990 0.095 0.000 1.248 538 C CA 1.510 60.610 59.018 0.136 0.000 1.742 538 C CB -0.997 26.794 27.740 0.085 0.000 2.017 538 C HN 0.334 nan 8.230 nan 0.000 0.481 539 A N -0.137 122.716 122.820 0.055 0.000 1.877 539 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 539 A C 2.354 179.922 177.584 -0.027 0.000 1.186 539 A CA 2.256 54.302 52.037 0.015 0.000 0.620 539 A CB -0.936 18.069 19.000 0.007 0.000 0.822 539 A HN 0.475 nan 8.150 nan 0.000 0.443 540 V N -0.178 119.694 119.914 -0.069 0.000 2.287 540 V HA -0.255 3.864 4.120 -0.000 0.000 0.248 540 V C 2.809 178.718 176.094 -0.307 0.000 1.053 540 V CA 2.366 64.522 62.300 -0.239 0.000 1.027 540 V CB -0.995 30.549 31.823 -0.465 0.000 0.646 540 V HN 0.683 nan 8.190 nan 0.000 0.447 541 S N -0.380 115.213 115.700 -0.179 0.000 2.372 541 S HA -0.309 4.161 4.470 -0.000 0.000 0.227 541 S C 1.964 176.594 174.600 0.051 0.000 1.044 541 S CA 2.338 60.643 58.200 0.174 0.000 1.050 541 S CB -0.304 63.179 63.200 0.471 0.000 0.901 541 S HN 0.755 nan 8.310 nan 0.000 0.447 542 E N 0.606 120.822 120.200 0.027 0.000 2.106 542 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 542 E C 2.059 178.623 176.600 -0.059 0.000 0.984 542 E CA 1.221 57.617 56.400 -0.007 0.000 0.806 542 E CB -0.287 29.418 29.700 0.008 0.000 0.750 542 E HN 0.675 nan 8.360 nan 0.000 0.458 543 N N 0.087 118.737 118.700 -0.083 0.000 2.036 543 N HA -0.184 4.556 4.740 -0.000 0.000 0.195 543 N C 1.645 177.029 175.510 -0.210 0.000 1.037 543 N CA 1.145 54.104 53.050 -0.151 0.000 0.855 543 N CB -0.213 38.149 38.487 -0.209 0.000 1.033 543 N HN 0.041 nan 8.380 nan 0.000 0.423 544 F N 1.340 121.110 119.950 -0.299 0.000 2.134 544 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 544 F C 2.844 178.386 175.800 -0.430 0.000 1.097 544 F CA 1.150 58.941 58.000 -0.349 0.000 1.264 544 F CB -0.461 38.209 39.000 -0.550 0.000 1.001 544 F HN 0.118 nan 8.300 nan 0.000 0.479 545 Q N 0.980 120.552 119.800 -0.380 0.000 2.084 545 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 545 Q C 2.044 177.991 176.000 -0.088 0.000 0.978 545 Q CA 2.087 57.734 55.803 -0.258 0.000 0.844 545 Q CB -0.332 28.339 28.738 -0.112 0.000 0.898 545 Q HN 0.667 nan 8.270 nan 0.000 0.426 546 E N -0.634 119.534 120.200 -0.054 0.000 2.158 546 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 546 E C 1.833 178.446 176.600 0.020 0.000 0.982 546 E CA 0.629 57.018 56.400 -0.017 0.000 0.823 546 E CB -0.569 29.120 29.700 -0.017 0.000 0.766 546 E HN 0.426 nan 8.360 nan 0.000 0.468 547 F N 2.359 122.226 119.950 -0.137 0.000 2.134 547 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 547 F C 1.887 177.647 175.800 -0.065 0.000 1.097 547 F CA 1.349 59.275 58.000 -0.124 0.000 1.264 547 F CB -0.208 38.663 39.000 -0.214 0.000 1.001 547 F HN -0.053 nan 8.300 nan 0.000 0.479 548 L N -0.109 120.964 121.223 -0.250 0.000 2.072 548 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 548 L C 2.705 179.471 176.870 -0.173 0.000 1.079 548 L CA 1.407 56.076 54.840 -0.286 0.000 0.752 548 L CB -0.951 41.066 42.059 -0.070 0.000 0.906 548 L HN 0.293 nan 8.230 nan 0.000 0.436 549 S N 0.047 115.694 115.700 -0.088 0.000 2.387 549 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 549 S C 1.971 176.555 174.600 -0.027 0.000 1.026 549 S CA 0.756 58.933 58.200 -0.038 0.000 0.972 549 S CB -0.751 62.440 63.200 -0.015 0.000 0.814 549 S HN 0.389 nan 8.310 nan 0.000 0.477 550 L N 1.645 122.843 121.223 -0.042 0.000 2.042 550 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 550 L C 1.307 178.198 176.870 0.034 0.000 1.076 550 L CA 1.606 56.444 54.840 -0.002 0.000 0.749 550 L CB -0.334 41.728 42.059 0.005 0.000 0.893 550 L HN 0.311 nan 8.230 nan 0.000 0.432 551 N N -0.359 118.270 118.700 -0.118 0.000 2.235 551 N HA 0.069 4.809 4.740 -0.000 0.000 0.209 551 N C 1.437 176.827 175.510 -0.200 0.000 1.122 551 N CA 0.734 53.662 53.050 -0.205 0.000 0.845 551 N CB 0.640 38.881 38.487 -0.411 0.000 1.004 551 N HN 0.426 nan 8.380 nan 0.000 0.499 552 G N 1.302 110.080 108.800 -0.035 0.000 2.432 552 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 552 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 552 G C 1.250 176.156 174.900 0.010 0.000 1.135 552 G CA 0.738 45.824 45.100 -0.022 0.000 0.767 552 G HN 0.508 nan 8.290 nan 0.000 0.550 553 H N 0.108 119.147 119.070 -0.052 0.000 2.546 553 H HA 0.173 4.729 4.556 -0.000 0.000 0.277 553 H C 1.994 177.308 175.328 -0.023 0.000 1.004 553 H CA 0.574 56.602 56.048 -0.032 0.000 1.231 553 H CB -0.353 29.392 29.762 -0.028 0.000 1.382 553 H HN 0.389 nan 8.280 nan 0.000 0.580 554 L N 0.380 121.336 121.223 -0.445 0.000 2.408 554 L HA 0.215 4.555 4.340 -0.000 0.000 0.215 554 L C 0.771 177.567 176.870 -0.122 0.000 1.081 554 L CA -0.071 54.586 54.840 -0.305 0.000 0.840 554 L CB 0.200 42.026 42.059 -0.388 0.000 1.002 554 L HN 0.015 nan 8.230 nan 0.000 0.468 555 L N 0.789 121.937 121.223 -0.124 0.000 2.410 555 L HA 0.271 4.611 4.340 -0.000 0.000 0.273 555 L C 1.251 178.107 176.870 -0.022 0.000 1.152 555 L CA 0.484 55.276 54.840 -0.080 0.000 0.855 555 L CB 0.541 42.529 42.059 -0.120 0.000 1.129 555 L HN 0.330 nan 8.230 nan 0.000 0.463 556 G N 2.523 111.332 108.800 0.015 0.000 2.159 556 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 556 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 556 G C 0.306 175.376 174.900 0.284 0.000 0.977 556 G CA -0.233 44.922 45.100 0.092 0.000 0.652 556 G HN 0.575 nan 8.290 nan 0.000 0.531 557 R N 0.127 120.775 120.500 0.248 0.000 2.265 557 R HA 0.496 4.836 4.340 -0.000 0.000 0.328 557 R C 0.152 176.465 176.300 0.021 0.000 0.969 557 R CA -0.665 55.505 56.100 0.117 0.000 0.832 557 R CB 1.044 31.366 30.300 0.037 0.000 1.139 557 R HN 0.278 nan 8.270 nan 0.000 0.457 558 Q N 3.852 123.513 119.800 -0.232 0.000 2.332 558 Q HA 0.178 4.518 4.340 -0.000 0.000 0.263 558 Q C -1.916 173.933 176.000 -0.251 0.000 0.979 558 Q CA -1.257 54.221 55.803 -0.543 0.000 0.885 558 Q CB 0.740 29.137 28.738 -0.568 0.000 1.218 558 Q HN 0.320 nan 8.270 nan 0.000 0.405 559 P HA 0.108 nan 4.420 nan 0.000 0.276 559 P C -1.119 176.106 177.300 -0.124 0.000 1.235 559 P CA -0.153 62.801 63.100 -0.244 0.000 0.772 559 P CB 0.382 32.012 31.700 -0.116 0.000 0.871 560 F N 4.130 124.067 119.950 -0.021 0.000 2.529 560 F HA 0.178 4.705 4.527 -0.000 0.000 0.365 560 F C -0.993 174.793 175.800 -0.023 0.000 1.102 560 F CA -1.853 56.131 58.000 -0.026 0.000 1.271 560 F CB -0.952 38.036 39.000 -0.021 0.000 1.120 560 F HN 0.271 nan 8.300 nan 0.000 0.579 561 P HA -0.034 nan 4.420 nan 0.000 0.269 561 P C -0.402 176.948 177.300 0.084 0.000 1.215 561 P CA -0.354 62.794 63.100 0.081 0.000 0.780 561 P CB 0.538 32.252 31.700 0.023 0.000 0.898 562 N N 1.981 120.720 118.700 0.066 0.000 2.399 562 N HA 0.060 4.800 4.740 -0.000 0.000 0.259 562 N C 1.075 176.629 175.510 0.074 0.000 1.160 562 N CA -0.005 53.083 53.050 0.063 0.000 0.946 562 N CB -0.226 38.290 38.487 0.048 0.000 1.156 562 N HN 0.312 nan 8.380 nan 0.000 0.489 563 I N 2.960 123.582 120.570 0.087 0.000 2.546 563 I HA -0.209 3.961 4.170 -0.000 0.000 0.255 563 I C 1.784 177.976 176.117 0.125 0.000 1.163 563 I CA 0.457 61.845 61.300 0.147 0.000 1.457 563 I CB 0.242 38.334 38.000 0.154 0.000 1.092 563 I HN 0.353 nan 8.210 nan 0.000 0.434 564 V N 0.315 120.261 119.914 0.053 0.000 2.323 564 V HA -0.285 3.835 4.120 -0.000 0.000 0.244 564 V C 2.445 178.528 176.094 -0.018 0.000 1.041 564 V CA 1.799 64.094 62.300 -0.008 0.000 1.025 564 V CB -0.601 31.212 31.823 -0.017 0.000 0.656 564 V HN 0.389 nan 8.190 nan 0.000 0.451 565 Q N 0.374 120.183 119.800 0.014 0.000 2.077 565 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 565 Q C 2.021 178.051 176.000 0.051 0.000 0.989 565 Q CA 2.111 57.927 55.803 0.022 0.000 0.853 565 Q CB -0.641 28.116 28.738 0.032 0.000 0.907 565 Q HN 0.612 nan 8.270 nan 0.000 0.418 566 L N -0.911 120.375 121.223 0.104 0.000 2.046 566 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 566 L C 2.309 179.321 176.870 0.237 0.000 1.077 566 L CA 1.238 56.200 54.840 0.204 0.000 0.747 566 L CB -0.954 41.275 42.059 0.284 0.000 0.896 566 L HN 0.462 nan 8.230 nan 0.000 0.432 567 G N -0.121 108.706 108.800 0.045 0.000 2.422 567 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 567 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 567 G C 1.587 176.387 174.900 -0.166 0.000 1.140 567 G CA 0.268 45.187 45.100 -0.301 0.000 0.775 567 G HN 0.255 nan 8.290 nan 0.000 0.545 568 L N 0.159 121.317 121.223 -0.109 0.000 2.456 568 L HA -0.021 4.319 4.340 -0.000 0.000 0.224 568 L C 2.121 179.095 176.870 0.172 0.000 1.148 568 L CA 0.072 54.868 54.840 -0.074 0.000 0.825 568 L CB -0.148 41.862 42.059 -0.083 0.000 0.937 568 L HN 0.241 nan 8.230 nan 0.000 0.450 569 C N -0.803 118.570 119.300 0.122 0.000 2.618 569 C HA 0.080 4.540 4.460 -0.000 0.000 0.264 569 C C 1.295 176.350 174.990 0.109 0.000 1.334 569 C CA -0.557 58.533 59.018 0.120 0.000 1.731 569 C CB -0.820 26.982 27.740 0.103 0.000 1.852 569 C HN 0.298 nan 8.230 nan 0.000 0.566 570 E N 1.798 122.070 120.200 0.120 0.000 2.374 570 E HA 0.238 4.588 4.350 -0.000 0.000 0.260 570 E C -2.283 174.304 176.600 -0.022 0.000 1.101 570 E CA -2.048 54.378 56.400 0.043 0.000 0.907 570 E CB -0.137 29.528 29.700 -0.059 0.000 1.014 570 E HN 0.139 nan 8.360 nan 0.000 0.427 571 P HA -0.023 nan 4.420 nan 0.000 0.266 571 P C 0.536 177.626 177.300 -0.351 0.000 1.195 571 P CA 0.309 63.291 63.100 -0.195 0.000 0.768 571 P CB 0.497 32.119 31.700 -0.130 0.000 0.838 572 E N 1.007 120.875 120.200 -0.553 0.000 2.338 572 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 572 E C 1.090 177.512 176.600 -0.296 0.000 1.007 572 E CA 1.363 57.297 56.400 -0.775 0.000 0.849 572 E CB -0.002 29.309 29.700 -0.648 0.000 0.774 572 E HN 0.571 nan 8.360 nan 0.000 0.506 573 T N -2.046 112.391 114.554 -0.194 0.000 2.985 573 T HA -0.009 4.341 4.350 -0.000 0.000 0.266 573 T C 1.268 175.920 174.700 -0.080 0.000 1.076 573 T CA 0.175 62.212 62.100 -0.105 0.000 1.135 573 T CB 0.130 68.944 68.868 -0.089 0.000 0.890 573 T HN -0.115 nan 8.240 nan 0.000 0.480 574 S N 1.100 116.740 115.700 -0.100 0.000 2.549 574 S HA 0.081 4.551 4.470 -0.000 0.000 0.283 574 S C 1.310 175.853 174.600 -0.096 0.000 1.320 574 S CA -0.516 57.614 58.200 -0.117 0.000 1.058 574 S CB 0.541 63.650 63.200 -0.152 0.000 0.882 574 S HN 0.265 nan 8.310 nan 0.000 0.498 575 E N 3.308 123.429 120.200 -0.132 0.000 2.268 575 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 575 E C 1.914 178.391 176.600 -0.204 0.000 0.995 575 E CA 0.688 57.040 56.400 -0.080 0.000 0.836 575 E CB -0.143 29.578 29.700 0.035 0.000 0.763 575 E HN 0.578 nan 8.360 nan 0.000 0.491 576 V N 0.468 120.068 119.914 -0.523 0.000 2.270 576 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 576 V C 2.191 178.033 176.094 -0.421 0.000 1.043 576 V CA 1.887 63.733 62.300 -0.756 0.000 1.014 576 V CB -0.770 30.366 31.823 -1.144 0.000 0.645 576 V HN 0.270 nan 8.190 nan 0.000 0.447 577 Y N 1.003 121.080 120.300 -0.373 0.000 2.128 577 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 577 Y C 2.743 178.552 175.900 -0.152 0.000 1.154 577 Y CA 1.956 59.916 58.100 -0.233 0.000 1.149 577 Y CB -0.198 38.157 38.460 -0.175 0.000 0.976 577 Y HN 0.224 nan 8.280 nan 0.000 0.505 578 Q N 0.262 120.082 119.800 0.033 0.000 2.084 578 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 578 Q C 2.230 178.181 176.000 -0.082 0.000 0.978 578 Q CA 1.868 57.678 55.803 0.012 0.000 0.844 578 Q CB -0.489 28.288 28.738 0.065 0.000 0.898 578 Q HN 0.680 nan 8.270 nan 0.000 0.426 579 Q N -0.024 119.730 119.800 -0.077 0.000 2.084 579 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 579 Q C 2.058 177.989 176.000 -0.115 0.000 0.978 579 Q CA 1.348 57.122 55.803 -0.048 0.000 0.844 579 Q CB -0.150 28.607 28.738 0.031 0.000 0.898 579 Q HN 0.377 nan 8.270 nan 0.000 0.426 580 A N 1.116 123.803 122.820 -0.221 0.000 1.933 580 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 580 A C 2.004 179.426 177.584 -0.270 0.000 1.175 580 A CA 1.720 53.607 52.037 -0.249 0.000 0.628 580 A CB -0.329 18.470 19.000 -0.334 0.000 0.814 580 A HN 0.113 nan 8.150 nan 0.000 0.444 581 K N -0.185 119.985 120.400 -0.383 0.000 2.057 581 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 581 K C 1.779 178.292 176.600 -0.145 0.000 1.049 581 K CA 1.204 57.305 56.287 -0.309 0.000 0.931 581 K CB -0.450 31.846 32.500 -0.341 0.000 0.714 581 K HN 0.468 nan 8.250 nan 0.000 0.440 582 L N 0.411 121.571 121.223 -0.105 0.000 1.994 582 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 582 L C 2.594 179.437 176.870 -0.045 0.000 1.071 582 L CA 1.498 56.306 54.840 -0.052 0.000 0.745 582 L CB -0.359 41.684 42.059 -0.027 0.000 0.892 582 L HN 0.347 nan 8.230 nan 0.000 0.431 583 Q N -0.708 119.062 119.800 -0.049 0.000 2.135 583 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 583 Q C 2.328 178.307 176.000 -0.036 0.000 0.981 583 Q CA 1.598 57.381 55.803 -0.033 0.000 0.856 583 Q CB -0.225 28.497 28.738 -0.026 0.000 0.902 583 Q HN 0.590 nan 8.270 nan 0.000 0.425 584 A N 1.504 124.289 122.820 -0.058 0.000 1.865 584 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 584 A C 2.052 179.616 177.584 -0.033 0.000 1.191 584 A CA 1.345 53.352 52.037 -0.050 0.000 0.623 584 A CB -0.346 18.610 19.000 -0.074 0.000 0.826 584 A HN 0.087 nan 8.150 nan 0.000 0.444 585 K N 0.401 120.780 120.400 -0.036 0.000 2.009 585 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 585 K C 1.601 178.193 176.600 -0.014 0.000 1.049 585 K CA 1.422 57.696 56.287 -0.022 0.000 0.929 585 K CB -0.596 31.891 32.500 -0.021 0.000 0.714 585 K HN 0.912 nan 8.250 nan 0.000 0.440 586 Q N 0.000 119.791 119.800 -0.015 0.000 2.315 586 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 586 Q CA 0.000 55.798 55.803 -0.008 0.000 1.022 586 Q CB 0.000 28.733 28.738 -0.007 0.000 1.108 586 Q HN 0.000 nan 8.270 nan 0.000 0.481