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_D DATA FIRST_RESID 1 DATA SEQUENCE MDAKARNCLL QHREALEKDI KTSYIMDHMI SDGFLTISEE EKVRNEPTQQ DATA SEQUENCE QRAAMLIKMI LKKDNDSYVS FYNALLHEGY KDLAALLHDG IPVVXXXXXX DATA SEQUENCE XXXXGITSYV 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 0.000 176.260 176.300 -0.067 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.569 32.600 -0.052 0.000 1.302 2 D N 1.563 121.899 120.400 -0.107 0.000 2.449 2 D HA 0.346 4.986 4.640 -0.000 0.000 0.236 2 D C 1.069 177.315 176.300 -0.091 0.000 1.149 2 D CA 0.890 54.829 54.000 -0.101 0.000 0.878 2 D CB 1.379 42.100 40.800 -0.133 0.000 1.198 2 D HN 0.769 nan 8.370 nan 0.000 0.446 3 A N 2.883 125.667 122.820 -0.060 0.000 2.015 3 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 3 A C 1.845 179.402 177.584 -0.045 0.000 1.163 3 A CA 1.197 53.209 52.037 -0.042 0.000 0.646 3 A CB -0.238 18.746 19.000 -0.027 0.000 0.806 3 A HN 0.515 nan 8.150 nan 0.000 0.448 4 K N -0.115 120.247 120.400 -0.062 0.000 2.009 4 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 4 K C 2.331 178.885 176.600 -0.076 0.000 1.049 4 K CA 1.410 57.662 56.287 -0.058 0.000 0.929 4 K CB -0.351 32.104 32.500 -0.074 0.000 0.714 4 K HN 0.434 nan 8.250 nan 0.000 0.440 5 A N 1.562 124.268 122.820 -0.190 0.000 1.898 5 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 5 A C 2.095 179.653 177.584 -0.045 0.000 1.181 5 A CA 1.186 53.007 52.037 -0.361 0.000 0.620 5 A CB -0.342 18.151 19.000 -0.845 0.000 0.819 5 A HN 0.194 nan 8.150 nan 0.000 0.442 6 R N -0.139 120.349 120.500 -0.020 0.000 2.061 6 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 6 R C 2.066 178.404 176.300 0.063 0.000 1.140 6 R CA 1.693 57.825 56.100 0.052 0.000 0.940 6 R CB -0.650 29.660 30.300 0.017 0.000 0.839 6 R HN 0.690 nan 8.270 nan 0.000 0.429 7 N N 0.233 118.950 118.700 0.028 0.000 2.094 7 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 7 N C 2.072 177.597 175.510 0.025 0.000 1.023 7 N CA 1.322 54.382 53.050 0.016 0.000 0.857 7 N CB -0.298 38.192 38.487 0.004 0.000 1.013 7 N HN 0.249 nan 8.380 nan 0.000 0.426 8 C N 0.575 119.929 119.300 0.090 0.000 2.429 8 C HA -0.015 4.445 4.460 -0.000 0.000 0.277 8 C C 2.546 177.720 174.990 0.307 0.000 1.262 8 C CA 0.333 59.475 59.018 0.207 0.000 1.733 8 C CB -1.124 26.792 27.740 0.295 0.000 2.010 8 C HN 0.392 nan 8.230 nan 0.000 0.483 9 L N 0.928 122.343 121.223 0.319 0.000 1.976 9 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 9 L C 2.437 179.399 176.870 0.154 0.000 1.071 9 L CA 1.963 56.986 54.840 0.306 0.000 0.746 9 L CB -0.973 41.280 42.059 0.323 0.000 0.890 9 L HN 0.365 nan 8.230 nan 0.000 0.432 10 L N -0.942 120.331 121.223 0.084 0.000 2.081 10 L HA -0.306 4.034 4.340 -0.000 0.000 0.212 10 L C 2.612 179.460 176.870 -0.037 0.000 1.080 10 L CA 1.757 56.611 54.840 0.024 0.000 0.754 10 L CB -0.737 41.328 42.059 0.010 0.000 0.893 10 L HN 0.499 nan 8.230 nan 0.000 0.433 11 Q N -0.232 119.489 119.800 -0.132 0.000 2.170 11 Q HA -0.204 4.136 4.340 -0.000 0.000 0.203 11 Q C 1.380 177.135 176.000 -0.409 0.000 0.976 11 Q CA 1.689 57.289 55.803 -0.337 0.000 0.858 11 Q CB 0.116 28.516 28.738 -0.563 0.000 0.907 11 Q HN 0.659 nan 8.270 nan 0.000 0.433 12 H N -1.927 117.188 119.070 0.075 0.000 2.755 12 H HA 0.235 4.791 4.556 -0.000 0.000 0.273 12 H C 1.315 176.683 175.328 0.066 0.000 1.055 12 H CA -0.403 55.687 56.048 0.071 0.000 1.191 12 H CB 0.470 30.281 29.762 0.082 0.000 1.536 12 H HN 0.084 nan 8.280 nan 0.000 0.529 13 R N 1.302 121.874 120.500 0.121 0.000 2.113 13 R HA -0.201 4.139 4.340 -0.000 0.000 0.244 13 R C 2.187 178.532 176.300 0.074 0.000 1.142 13 R CA 1.819 57.974 56.100 0.092 0.000 0.953 13 R CB 0.029 30.361 30.300 0.053 0.000 0.860 13 R HN 0.342 nan 8.270 nan 0.000 0.438 14 E N 0.381 120.617 120.200 0.059 0.000 2.085 14 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 14 E C 1.647 178.283 176.600 0.060 0.000 0.994 14 E CA 1.649 58.079 56.400 0.049 0.000 0.801 14 E CB -0.113 29.610 29.700 0.039 0.000 0.743 14 E HN 0.421 nan 8.360 nan 0.000 0.453 15 A N 0.986 123.857 122.820 0.084 0.000 1.930 15 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 15 A C 2.483 180.109 177.584 0.069 0.000 1.175 15 A CA 1.044 53.132 52.037 0.085 0.000 0.627 15 A CB -0.539 18.530 19.000 0.115 0.000 0.815 15 A HN 0.292 nan 8.150 nan 0.000 0.443 16 L N -0.825 120.445 121.223 0.078 0.000 2.005 16 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 16 L C 2.600 179.486 176.870 0.028 0.000 1.072 16 L CA 1.671 56.541 54.840 0.051 0.000 0.744 16 L CB -0.606 41.521 42.059 0.114 0.000 0.895 16 L HN 0.426 nan 8.230 nan 0.000 0.433 17 E N 0.088 120.312 120.200 0.040 0.000 2.070 17 E HA -0.324 4.025 4.350 -0.000 0.000 0.197 17 E C 2.151 178.763 176.600 0.021 0.000 1.004 17 E CA 1.604 58.019 56.400 0.024 0.000 0.805 17 E CB -0.122 29.592 29.700 0.024 0.000 0.744 17 E HN 0.290 nan 8.360 nan 0.000 0.451 18 K N 0.283 120.701 120.400 0.031 0.000 2.147 18 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 18 K C 0.924 177.547 176.600 0.038 0.000 1.049 18 K CA 1.672 57.980 56.287 0.034 0.000 0.936 18 K CB 0.238 32.764 32.500 0.042 0.000 0.722 18 K HN 0.095 nan 8.250 nan 0.000 0.446 19 D N 0.079 120.501 120.400 0.038 0.000 2.469 19 D HA 0.074 4.714 4.640 -0.000 0.000 0.240 19 D C 0.648 176.992 176.300 0.072 0.000 1.087 19 D CA -0.001 54.043 54.000 0.074 0.000 0.876 19 D CB 0.391 41.260 40.800 0.116 0.000 1.160 19 D HN 0.304 nan 8.370 nan 0.000 0.497 20 I N -0.267 120.267 120.570 -0.061 0.000 2.395 20 I HA 0.280 4.450 4.170 -0.000 0.000 0.289 20 I C -0.262 175.848 176.117 -0.012 0.000 1.023 20 I CA -0.585 60.592 61.300 -0.205 0.000 1.350 20 I CB 0.902 38.646 38.000 -0.426 0.000 1.409 20 I HN -0.445 nan 8.210 nan 0.000 0.507 21 K N 4.544 125.014 120.400 0.116 0.000 2.234 21 K HA 0.260 4.580 4.320 -0.000 0.000 0.282 21 K C 0.891 177.602 176.600 0.186 0.000 1.039 21 K CA -0.133 56.228 56.287 0.124 0.000 0.928 21 K CB 1.395 33.932 32.500 0.062 0.000 1.039 21 K HN 0.813 nan 8.250 nan 0.000 0.470 22 T N -2.581 112.047 114.554 0.122 0.000 3.057 22 T HA -0.111 4.239 4.350 -0.000 0.000 0.254 22 T C 1.941 176.692 174.700 0.085 0.000 1.094 22 T CA 0.691 62.846 62.100 0.092 0.000 1.088 22 T CB -0.010 68.878 68.868 0.032 0.000 0.934 22 T HN 0.521 nan 8.240 nan 0.000 0.497 23 S N 1.620 117.378 115.700 0.097 0.000 2.353 23 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 23 S C 1.797 176.289 174.600 -0.180 0.000 1.035 23 S CA 0.976 59.138 58.200 -0.064 0.000 1.025 23 S CB -1.159 61.970 63.200 -0.118 0.000 0.902 23 S HN 0.586 nan 8.310 nan 0.000 0.440 24 Y N 1.461 121.751 120.300 -0.017 0.000 2.365 24 Y HA 0.315 4.865 4.550 -0.000 0.000 0.293 24 Y C 2.368 178.032 175.900 -0.394 0.000 1.119 24 Y CA 0.108 58.064 58.100 -0.240 0.000 1.203 24 Y CB -0.503 37.819 38.460 -0.230 0.000 1.026 24 Y HN 0.201 nan 8.280 nan 0.000 0.549 25 I N -0.278 120.322 120.570 0.050 0.000 2.194 25 I HA -0.390 3.780 4.170 -0.000 0.000 0.246 25 I C 2.212 178.352 176.117 0.039 0.000 1.093 25 I CA 1.711 63.069 61.300 0.095 0.000 1.355 25 I CB -0.339 37.785 38.000 0.207 0.000 1.046 25 I HN 0.298 nan 8.210 nan 0.000 0.413 26 M N -0.303 119.295 119.600 -0.004 0.000 2.200 26 M HA -0.176 4.304 4.480 -0.000 0.000 0.265 26 M C 1.816 178.089 176.300 -0.044 0.000 1.066 26 M CA 1.417 56.712 55.300 -0.008 0.000 1.127 26 M CB -0.616 31.966 32.600 -0.030 0.000 1.379 26 M HN 0.182 nan 8.290 nan 0.000 0.420 27 D N 0.085 120.404 120.400 -0.136 0.000 2.126 27 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 27 D C 1.833 178.102 176.300 -0.051 0.000 1.001 27 D CA 1.528 55.441 54.000 -0.143 0.000 0.841 27 D CB -0.737 39.921 40.800 -0.237 0.000 0.949 27 D HN 0.374 nan 8.370 nan 0.000 0.446 28 H N 0.137 119.183 119.070 -0.040 0.000 2.289 28 H HA -0.089 4.467 4.556 -0.000 0.000 0.294 28 H C 2.348 177.696 175.328 0.033 0.000 1.095 28 H CA 1.033 57.049 56.048 -0.053 0.000 1.256 28 H CB -0.610 29.089 29.762 -0.104 0.000 1.359 28 H HN 0.259 nan 8.280 nan 0.000 0.487 29 M N -0.450 119.272 119.600 0.202 0.000 2.296 29 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 29 M C 2.367 178.749 176.300 0.136 0.000 1.064 29 M CA 1.012 56.437 55.300 0.209 0.000 1.109 29 M CB -0.107 32.610 32.600 0.196 0.000 1.396 29 M HN 0.110 nan 8.290 nan 0.000 0.430 30 I N -0.564 120.045 120.570 0.066 0.000 2.202 30 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 30 I C 2.771 178.887 176.117 -0.000 0.000 1.091 30 I CA 1.285 62.595 61.300 0.016 0.000 1.368 30 I CB -0.415 37.578 38.000 -0.011 0.000 1.058 30 I HN 0.294 nan 8.210 nan 0.000 0.410 31 S N 0.865 116.579 115.700 0.022 0.000 2.370 31 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 31 S C 1.637 176.237 174.600 -0.000 0.000 1.033 31 S CA 2.031 60.240 58.200 0.016 0.000 1.011 31 S CB -0.395 62.834 63.200 0.049 0.000 0.852 31 S HN 0.378 nan 8.310 nan 0.000 0.457 32 D N 0.597 121.022 120.400 0.042 0.000 2.350 32 D HA 0.139 4.779 4.640 -0.000 0.000 0.216 32 D C 1.600 177.702 176.300 -0.330 0.000 0.968 32 D CA 1.058 55.067 54.000 0.014 0.000 0.894 32 D CB -0.689 40.299 40.800 0.314 0.000 0.909 32 D HN 0.648 nan 8.370 nan 0.000 0.520 33 G N -0.037 108.613 108.800 -0.250 0.000 2.159 33 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.256 33 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.256 33 G C 0.583 175.238 174.900 -0.409 0.000 0.977 33 G CA 0.041 44.930 45.100 -0.352 0.000 0.652 33 G HN 0.339 nan 8.290 nan 0.000 0.531 34 F N -0.454 119.515 119.950 0.032 0.000 2.660 34 F HA 0.684 5.211 4.527 -0.000 0.000 0.302 34 F C 0.667 176.477 175.800 0.017 0.000 1.103 34 F CA -0.166 57.853 58.000 0.032 0.000 1.340 34 F CB 0.645 39.677 39.000 0.053 0.000 1.048 34 F HN 0.202 nan 8.300 nan 0.000 0.551 35 L N 0.094 121.382 121.223 0.109 0.000 2.543 35 L HA 0.450 4.790 4.340 -0.000 0.000 0.265 35 L C -0.081 176.798 176.870 0.015 0.000 0.945 35 L CA -0.426 54.449 54.840 0.059 0.000 0.869 35 L CB 1.562 43.654 42.059 0.055 0.000 1.294 35 L HN 0.031 nan 8.230 nan 0.000 0.405 36 T N 1.682 116.238 114.554 0.003 0.000 2.902 36 T HA 0.357 4.707 4.350 -0.000 0.000 0.280 36 T C 1.387 176.076 174.700 -0.018 0.000 0.992 36 T CA -0.723 61.371 62.100 -0.011 0.000 1.015 36 T CB 0.752 69.614 68.868 -0.010 0.000 1.044 36 T HN 0.463 nan 8.240 nan 0.000 0.520 37 I N 1.792 122.348 120.570 -0.023 0.000 2.361 37 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 37 I C 2.819 178.919 176.117 -0.029 0.000 1.133 37 I CA 1.768 63.050 61.300 -0.030 0.000 1.413 37 I CB -1.504 36.477 38.000 -0.032 0.000 1.073 37 I HN 0.932 nan 8.210 nan 0.000 0.424 38 S N 0.281 115.967 115.700 -0.024 0.000 2.395 38 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 38 S C 1.718 176.305 174.600 -0.023 0.000 1.027 38 S CA 0.591 58.778 58.200 -0.023 0.000 0.965 38 S CB -0.338 62.851 63.200 -0.018 0.000 0.812 38 S HN 0.472 nan 8.310 nan 0.000 0.482 39 E N 1.257 121.445 120.200 -0.021 0.000 2.077 39 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 39 E C 2.175 178.758 176.600 -0.029 0.000 0.989 39 E CA 1.330 57.716 56.400 -0.022 0.000 0.800 39 E CB -0.217 29.472 29.700 -0.017 0.000 0.746 39 E HN 0.768 nan 8.360 nan 0.000 0.452 40 E N 1.181 121.363 120.200 -0.030 0.000 2.051 40 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 40 E C 2.188 178.764 176.600 -0.039 0.000 0.991 40 E CA 1.216 57.593 56.400 -0.037 0.000 0.799 40 E CB 0.004 29.678 29.700 -0.043 0.000 0.748 40 E HN 0.235 nan 8.360 nan 0.000 0.449 41 E N 0.944 121.122 120.200 -0.037 0.000 2.058 41 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 41 E C 2.145 178.726 176.600 -0.032 0.000 0.997 41 E CA 1.434 57.812 56.400 -0.036 0.000 0.801 41 E CB -0.126 29.555 29.700 -0.033 0.000 0.746 41 E HN 0.107 nan 8.360 nan 0.000 0.450 42 K N 0.138 120.521 120.400 -0.028 0.000 2.063 42 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 42 K C 2.176 178.760 176.600 -0.027 0.000 1.048 42 K CA 1.501 57.773 56.287 -0.026 0.000 0.928 42 K CB 0.011 32.496 32.500 -0.024 0.000 0.713 42 K HN 0.070 nan 8.250 nan 0.000 0.442 43 V N 0.815 120.710 119.914 -0.031 0.000 2.343 43 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 43 V C 2.375 178.452 176.094 -0.028 0.000 1.051 43 V CA 1.774 64.056 62.300 -0.031 0.000 1.036 43 V CB -0.462 31.339 31.823 -0.036 0.000 0.654 43 V HN 0.339 nan 8.190 nan 0.000 0.451 44 R N 0.054 120.535 120.500 -0.032 0.000 2.235 44 R HA -0.118 4.222 4.340 -0.000 0.000 0.213 44 R C 2.108 178.391 176.300 -0.028 0.000 1.059 44 R CA 1.029 57.109 56.100 -0.033 0.000 0.997 44 R CB -0.217 30.057 30.300 -0.043 0.000 0.884 44 R HN 0.532 nan 8.270 nan 0.000 0.462 45 N N 0.828 119.512 118.700 -0.026 0.000 2.244 45 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 45 N C -0.308 175.191 175.510 -0.018 0.000 1.016 45 N CA 0.747 53.784 53.050 -0.022 0.000 0.866 45 N CB 0.102 38.576 38.487 -0.021 0.000 0.980 45 N HN 0.066 nan 8.380 nan 0.000 0.430 46 E N 0.603 120.793 120.200 -0.017 0.000 2.442 46 E HA -0.023 4.327 4.350 -0.000 0.000 0.262 46 E C -1.577 175.017 176.600 -0.010 0.000 1.004 46 E CA -1.209 55.183 56.400 -0.013 0.000 0.928 46 E CB 0.416 30.108 29.700 -0.014 0.000 0.937 46 E HN 0.301 nan 8.360 nan 0.000 0.446 47 P HA -0.077 nan 4.420 nan 0.000 0.221 47 P C 0.376 177.674 177.300 -0.002 0.000 1.150 47 P CA 1.228 64.326 63.100 -0.005 0.000 0.800 47 P CB 0.293 31.992 31.700 -0.002 0.000 0.787 48 T N -5.631 108.922 114.554 -0.002 0.000 2.901 48 T HA 0.278 4.628 4.350 -0.000 0.000 0.293 48 T C 0.894 175.593 174.700 -0.001 0.000 1.084 48 T CA -0.762 61.338 62.100 0.000 0.000 1.008 48 T CB 1.774 70.644 68.868 0.003 0.000 1.170 48 T HN -0.133 nan 8.240 nan 0.000 0.509 49 Q N 0.049 119.849 119.800 -0.001 0.000 2.096 49 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 49 Q C 2.104 178.104 176.000 0.000 0.000 0.982 49 Q CA 1.867 57.669 55.803 -0.003 0.000 0.850 49 Q CB -0.177 28.556 28.738 -0.008 0.000 0.901 49 Q HN 0.791 nan 8.270 nan 0.000 0.422 50 Q N -0.453 119.348 119.800 0.003 0.000 2.119 50 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 50 Q C 2.098 178.099 176.000 0.000 0.000 0.972 50 Q CA 1.321 57.126 55.803 0.005 0.000 0.847 50 Q CB 0.095 28.839 28.738 0.009 0.000 0.903 50 Q HN 0.524 nan 8.270 nan 0.000 0.433 51 Q N 0.016 119.815 119.800 -0.002 0.000 2.187 51 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 51 Q C 2.013 178.006 176.000 -0.011 0.000 0.957 51 Q CA 0.606 56.406 55.803 -0.005 0.000 0.857 51 Q CB 0.073 28.808 28.738 -0.005 0.000 0.929 51 Q HN 0.256 nan 8.270 nan 0.000 0.453 52 R N 0.529 121.023 120.500 -0.010 0.000 2.083 52 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 52 R C 2.305 178.593 176.300 -0.019 0.000 1.137 52 R CA 1.387 57.478 56.100 -0.014 0.000 0.951 52 R CB -0.426 29.869 30.300 -0.009 0.000 0.851 52 R HN 0.199 nan 8.270 nan 0.000 0.434 53 A N 1.302 124.115 122.820 -0.012 0.000 1.858 53 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 53 A C 2.424 179.992 177.584 -0.025 0.000 1.190 53 A CA 1.698 53.726 52.037 -0.014 0.000 0.617 53 A CB -0.922 18.076 19.000 -0.003 0.000 0.827 53 A HN 0.405 nan 8.150 nan 0.000 0.443 54 A N -0.810 122.000 122.820 -0.016 0.000 1.896 54 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 54 A C 2.231 179.795 177.584 -0.033 0.000 1.206 54 A CA 2.849 54.876 52.037 -0.018 0.000 0.647 54 A CB -0.635 18.360 19.000 -0.009 0.000 0.828 54 A HN 0.652 nan 8.150 nan 0.000 0.455 55 M N -1.018 118.562 119.600 -0.034 0.000 2.065 55 M HA -0.104 4.376 4.480 -0.000 0.000 0.259 55 M C 1.922 178.183 176.300 -0.065 0.000 1.069 55 M CA 2.020 57.295 55.300 -0.041 0.000 1.110 55 M CB -0.663 31.916 32.600 -0.034 0.000 1.328 55 M HN 0.365 nan 8.290 nan 0.000 0.405 56 L N 0.115 121.289 121.223 -0.082 0.000 1.970 56 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 56 L C 2.237 178.986 176.870 -0.203 0.000 1.071 56 L CA 2.011 56.770 54.840 -0.135 0.000 0.751 56 L CB -0.819 41.152 42.059 -0.145 0.000 0.889 56 L HN 0.457 nan 8.230 nan 0.000 0.432 57 I N -0.389 120.060 120.570 -0.203 0.000 2.248 57 I HA -0.364 3.806 4.170 -0.000 0.000 0.248 57 I C 2.566 178.606 176.117 -0.127 0.000 1.107 57 I CA 1.694 62.865 61.300 -0.214 0.000 1.373 57 I CB -0.484 37.456 38.000 -0.101 0.000 1.055 57 I HN 0.348 nan 8.210 nan 0.000 0.418 58 K N 0.787 121.138 120.400 -0.082 0.000 2.152 58 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 58 K C 2.123 178.690 176.600 -0.055 0.000 1.048 58 K CA 1.493 57.748 56.287 -0.052 0.000 0.933 58 K CB 0.007 32.484 32.500 -0.037 0.000 0.721 58 K HN 0.265 nan 8.250 nan 0.000 0.447 59 M N 0.156 119.709 119.600 -0.077 0.000 2.134 59 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 59 M C 2.104 178.361 176.300 -0.071 0.000 1.076 59 M CA 1.251 56.512 55.300 -0.064 0.000 1.143 59 M CB -0.181 32.379 32.600 -0.066 0.000 1.346 59 M HN 0.072 nan 8.290 nan 0.000 0.421 60 I N 0.632 121.122 120.570 -0.133 0.000 2.236 60 I HA -0.345 3.824 4.170 -0.000 0.000 0.249 60 I C 2.242 178.328 176.117 -0.051 0.000 1.102 60 I CA 1.353 62.569 61.300 -0.140 0.000 1.365 60 I CB -0.432 37.358 38.000 -0.350 0.000 1.051 60 I HN 0.318 nan 8.210 nan 0.000 0.420 61 L N 0.291 121.489 121.223 -0.042 0.000 2.127 61 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 61 L C 1.321 178.198 176.870 0.011 0.000 1.089 61 L CA 1.361 56.205 54.840 0.006 0.000 0.757 61 L CB -0.328 41.732 42.059 0.002 0.000 0.899 61 L HN 0.189 nan 8.230 nan 0.000 0.434 62 K N 0.587 120.987 120.400 -0.001 0.000 3.129 62 K HA 0.214 4.534 4.320 -0.000 0.000 0.241 62 K C -0.629 175.980 176.600 0.014 0.000 1.239 62 K CA 0.074 56.365 56.287 0.006 0.000 1.239 62 K CB 0.207 32.707 32.500 0.000 0.000 1.347 62 K HN 0.129 nan 8.250 nan 0.000 0.435 63 K N 1.056 121.469 120.400 0.022 0.000 2.551 63 K HA 0.084 4.404 4.320 -0.000 0.000 0.269 63 K C -1.148 175.472 176.600 0.034 0.000 0.949 63 K CA -0.985 55.322 56.287 0.034 0.000 0.849 63 K CB 1.841 34.361 32.500 0.034 0.000 1.411 63 K HN 0.165 nan 8.250 nan 0.000 0.432 64 D N 0.107 120.528 120.400 0.034 0.000 2.325 64 D HA -0.065 4.575 4.640 -0.000 0.000 0.237 64 D C 0.613 176.904 176.300 -0.014 0.000 1.328 64 D CA 0.022 54.031 54.000 0.015 0.000 0.918 64 D CB 0.432 41.255 40.800 0.038 0.000 1.156 64 D HN 0.356 nan 8.370 nan 0.000 0.485 65 N N -0.165 118.514 118.700 -0.036 0.000 2.309 65 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 65 N C 0.870 176.330 175.510 -0.083 0.000 1.018 65 N CA 0.876 53.891 53.050 -0.059 0.000 0.876 65 N CB -0.163 38.282 38.487 -0.071 0.000 0.972 65 N HN 0.492 nan 8.380 nan 0.000 0.434 66 D N 0.498 120.787 120.400 -0.185 0.000 2.149 66 D HA -0.011 4.629 4.640 -0.000 0.000 0.201 66 D C 1.673 177.500 176.300 -0.788 0.000 0.972 66 D CA 0.706 54.437 54.000 -0.448 0.000 0.835 66 D CB 0.101 40.609 40.800 -0.486 0.000 0.966 66 D HN 0.128 nan 8.370 nan 0.000 0.476 67 S N 0.330 115.652 115.700 -0.630 0.000 2.368 67 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 67 S C 1.832 176.412 174.600 -0.034 0.000 1.029 67 S CA 0.522 58.499 58.200 -0.371 0.000 0.988 67 S CB -0.492 62.652 63.200 -0.092 0.000 0.838 67 S HN 0.320 nan 8.310 nan 0.000 0.462 68 Y N 2.519 122.781 120.300 -0.064 0.000 2.081 68 Y HA -0.250 4.300 4.550 -0.000 0.000 0.280 68 Y C 2.284 178.245 175.900 0.103 0.000 1.163 68 Y CA 1.560 59.707 58.100 0.078 0.000 1.135 68 Y CB -0.587 37.891 38.460 0.031 0.000 0.970 68 Y HN 0.036 nan 8.280 nan 0.000 0.498 69 V N -1.050 118.993 119.914 0.215 0.000 2.427 69 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 69 V C 2.584 178.758 176.094 0.134 0.000 1.051 69 V CA 1.882 64.278 62.300 0.160 0.000 1.048 69 V CB -0.959 30.902 31.823 0.063 0.000 0.666 69 V HN 0.505 nan 8.190 nan 0.000 0.456 70 S N -0.257 115.458 115.700 0.024 0.000 2.359 70 S HA -0.232 4.238 4.470 -0.000 0.000 0.224 70 S C 1.951 176.660 174.600 0.182 0.000 1.035 70 S CA 1.961 60.223 58.200 0.103 0.000 1.018 70 S CB -0.428 62.824 63.200 0.086 0.000 0.876 70 S HN 0.567 nan 8.310 nan 0.000 0.448 71 F N 1.293 121.243 119.950 -0.001 0.000 2.146 71 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 71 F C 1.987 177.770 175.800 -0.029 0.000 1.096 71 F CA 1.419 59.403 58.000 -0.026 0.000 1.275 71 F CB -1.253 37.692 39.000 -0.093 0.000 1.008 71 F HN 0.406 nan 8.300 nan 0.000 0.480 72 Y N 1.500 121.652 120.300 -0.247 0.000 2.151 72 Y HA -0.295 4.254 4.550 -0.000 0.000 0.284 72 Y C 2.306 178.105 175.900 -0.168 0.000 1.166 72 Y CA 2.407 60.329 58.100 -0.296 0.000 1.163 72 Y CB -0.798 37.557 38.460 -0.176 0.000 0.974 72 Y HN 0.080 nan 8.280 nan 0.000 0.511 73 N N 0.132 118.785 118.700 -0.078 0.000 2.250 73 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 73 N C 2.005 177.460 175.510 -0.090 0.000 1.017 73 N CA 1.112 54.097 53.050 -0.109 0.000 0.866 73 N CB -0.553 37.961 38.487 0.046 0.000 0.985 73 N HN 0.495 nan 8.380 nan 0.000 0.429 74 A N 1.910 124.721 122.820 -0.015 0.000 1.883 74 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 74 A C 2.395 180.038 177.584 0.100 0.000 1.186 74 A CA 1.048 53.155 52.037 0.116 0.000 0.624 74 A CB -0.910 18.240 19.000 0.250 0.000 0.822 74 A HN 0.190 nan 8.150 nan 0.000 0.444 75 L N -0.643 120.511 121.223 -0.115 0.000 1.990 75 L HA -0.256 4.084 4.340 -0.000 0.000 0.213 75 L C 2.689 179.538 176.870 -0.035 0.000 1.072 75 L CA 1.564 56.351 54.840 -0.089 0.000 0.755 75 L CB -0.658 41.170 42.059 -0.384 0.000 0.889 75 L HN 0.407 nan 8.230 nan 0.000 0.432 76 L N -1.362 119.717 121.223 -0.241 0.000 2.012 76 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 76 L C 2.789 179.599 176.870 -0.101 0.000 1.073 76 L CA 1.317 56.024 54.840 -0.221 0.000 0.748 76 L CB -1.006 40.848 42.059 -0.341 0.000 0.891 76 L HN 0.409 nan 8.230 nan 0.000 0.431 77 H N 0.692 119.659 119.070 -0.171 0.000 2.390 77 H HA -0.168 4.388 4.556 -0.000 0.000 0.298 77 H C 1.577 176.864 175.328 -0.069 0.000 1.106 77 H CA 1.517 57.465 56.048 -0.166 0.000 1.297 77 H CB 0.352 29.913 29.762 -0.334 0.000 1.375 77 H HN 0.335 nan 8.280 nan 0.000 0.509 78 E N -0.924 119.402 120.200 0.210 0.000 2.481 78 E HA 0.142 4.492 4.350 -0.000 0.000 0.198 78 E C 0.997 177.527 176.600 -0.116 0.000 1.027 78 E CA 0.576 57.059 56.400 0.138 0.000 0.900 78 E CB 0.433 30.325 29.700 0.319 0.000 0.993 78 E HN 0.624 nan 8.360 nan 0.000 0.482 79 G N 1.514 110.234 108.800 -0.133 0.000 2.165 79 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.226 79 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.226 79 G C -0.287 174.409 174.900 -0.340 0.000 1.035 79 G CA -0.266 44.690 45.100 -0.240 0.000 0.744 79 G HN 0.233 nan 8.290 nan 0.000 0.501 80 Y N 0.291 120.548 120.300 -0.071 0.000 2.827 80 Y HA 0.334 4.884 4.550 -0.000 0.000 0.373 80 Y C 1.790 177.621 175.900 -0.116 0.000 1.198 80 Y CA -0.027 58.025 58.100 -0.080 0.000 1.589 80 Y CB 0.638 39.043 38.460 -0.091 0.000 1.682 80 Y HN 0.341 nan 8.280 nan 0.000 0.506 81 K N 0.388 120.783 120.400 -0.008 0.000 2.063 81 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 81 K C 0.336 176.944 176.600 0.015 0.000 1.048 81 K CA 2.581 58.854 56.287 -0.023 0.000 0.928 81 K CB 0.139 32.620 32.500 -0.031 0.000 0.713 81 K HN 0.471 nan 8.250 nan 0.000 0.442 82 D N 0.540 120.961 120.400 0.035 0.000 2.213 82 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 82 D C 1.881 178.197 176.300 0.027 0.000 0.961 82 D CA 0.755 54.778 54.000 0.038 0.000 0.853 82 D CB 0.093 40.920 40.800 0.044 0.000 0.967 82 D HN 0.182 nan 8.370 nan 0.000 0.496 83 L N 0.542 121.786 121.223 0.035 0.000 2.109 83 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 83 L C 2.406 179.244 176.870 -0.053 0.000 1.086 83 L CA 0.794 55.626 54.840 -0.015 0.000 0.760 83 L CB -0.363 41.681 42.059 -0.025 0.000 0.910 83 L HN 0.049 nan 8.230 nan 0.000 0.437 84 A N 0.216 123.010 122.820 -0.043 0.000 1.930 84 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 84 A C 2.548 180.258 177.584 0.211 0.000 1.175 84 A CA 1.544 53.580 52.037 -0.003 0.000 0.627 84 A CB -0.591 18.255 19.000 -0.257 0.000 0.815 84 A HN 0.375 nan 8.150 nan 0.000 0.443 85 A N 0.035 122.932 122.820 0.128 0.000 1.908 85 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 85 A C 2.100 179.723 177.584 0.064 0.000 1.181 85 A CA 1.557 53.682 52.037 0.147 0.000 0.627 85 A CB -0.589 18.460 19.000 0.082 0.000 0.818 85 A HN 0.484 nan 8.150 nan 0.000 0.445 86 L N -0.867 120.309 121.223 -0.078 0.000 2.201 86 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 86 L C 2.254 178.939 176.870 -0.309 0.000 1.105 86 L CA 0.737 55.365 54.840 -0.354 0.000 0.775 86 L CB -0.546 41.091 42.059 -0.703 0.000 0.913 86 L HN 0.365 nan 8.230 nan 0.000 0.440 87 L N -1.279 119.908 121.223 -0.059 0.000 2.418 87 L HA -0.123 4.217 4.340 -0.000 0.000 0.218 87 L C 2.378 179.372 176.870 0.207 0.000 1.125 87 L CA 0.512 55.425 54.840 0.123 0.000 0.835 87 L CB -0.517 41.572 42.059 0.049 0.000 0.953 87 L HN 0.366 nan 8.230 nan 0.000 0.454 88 H N 0.473 119.576 119.070 0.054 0.000 2.265 88 H HA -0.284 4.272 4.556 -0.000 0.000 0.295 88 H C 2.079 177.395 175.328 -0.019 0.000 1.084 88 H CA 1.952 57.966 56.048 -0.057 0.000 1.261 88 H CB 0.230 30.006 29.762 0.024 0.000 1.360 88 H HN 0.275 nan 8.280 nan 0.000 0.487 89 D N -0.158 120.357 120.400 0.193 0.000 2.968 89 D HA -0.230 4.410 4.640 -0.000 0.000 0.215 89 D C 1.938 178.303 176.300 0.108 0.000 1.086 89 D CA 2.374 56.443 54.000 0.115 0.000 0.891 89 D CB -1.116 39.762 40.800 0.131 0.000 1.019 89 D HN 0.550 nan 8.370 nan 0.000 0.494 90 G N -0.801 108.079 108.800 0.134 0.000 3.233 90 G HA2 0.222 4.182 3.960 -0.000 0.000 0.227 90 G HA3 0.222 4.182 3.960 -0.000 0.000 0.227 90 G C 0.783 175.590 174.900 -0.155 0.000 1.175 90 G CA -0.382 44.727 45.100 0.014 0.000 0.781 90 G HN 0.405 nan 8.290 nan 0.000 0.542 91 I N 3.027 123.580 120.570 -0.029 0.000 2.845 91 I HA 0.034 4.204 4.170 -0.000 0.000 0.290 91 I C -1.252 174.761 176.117 -0.173 0.000 1.202 91 I CA -1.005 60.234 61.300 -0.101 0.000 1.406 91 I CB 0.726 38.607 38.000 -0.198 0.000 1.383 91 I HN 0.109 nan 8.210 nan 0.000 0.549 92 P HA 0.214 nan 4.420 nan 0.000 0.279 92 P C -0.481 176.761 177.300 -0.097 0.000 1.282 92 P CA -0.391 62.609 63.100 -0.167 0.000 0.788 92 P CB 0.778 32.356 31.700 -0.202 0.000 1.139 93 V N -0.083 119.788 119.914 -0.071 0.000 2.834 93 V HA 0.172 4.292 4.120 -0.000 0.000 0.301 93 V C 0.901 176.975 176.094 -0.034 0.000 1.066 93 V CA -0.286 61.987 62.300 -0.044 0.000 1.052 93 V CB 1.187 32.990 31.823 -0.032 0.000 1.021 93 V HN 0.266 nan 8.190 nan 0.000 0.480 106 I N 3.878 124.479 120.570 0.052 0.000 2.282 106 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 106 I C 0.844 176.998 176.117 0.061 0.000 1.090 106 I CA -0.346 60.979 61.300 0.042 0.000 1.231 106 I CB 0.779 38.774 38.000 -0.009 0.000 1.434 106 I HN 0.167 nan 8.210 nan 0.000 0.487 107 T N 0.440 115.067 114.554 0.122 0.000 2.910 107 T HA 0.282 4.631 4.350 -0.000 0.000 0.279 107 T C 1.172 175.953 174.700 0.137 0.000 0.989 107 T CA -0.671 61.515 62.100 0.144 0.000 0.968 107 T CB 1.710 70.726 68.868 0.247 0.000 1.135 107 T HN 0.358 nan 8.240 nan 0.000 0.562 108 S N -0.450 115.342 115.700 0.153 0.000 2.368 108 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 108 S C 1.522 176.204 174.600 0.137 0.000 1.030 108 S CA 1.244 59.523 58.200 0.132 0.000 0.999 108 S CB -0.928 62.405 63.200 0.220 0.000 0.844 108 S HN 0.719 nan 8.310 nan 0.000 0.459 109 Y N 2.440 122.798 120.300 0.098 0.000 2.114 109 Y HA -0.228 4.322 4.550 -0.000 0.000 0.282 109 Y C 2.174 178.073 175.900 -0.002 0.000 1.165 109 Y CA 1.463 59.604 58.100 0.068 0.000 1.148 109 Y CB -0.558 37.980 38.460 0.130 0.000 0.972 109 Y HN 0.035 nan 8.280 nan 0.000 0.504 110 V N 0.808 120.781 119.914 0.097 0.000 2.295 110 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 110 V C 2.439 178.435 176.094 -0.164 0.000 1.049 110 V CA 2.271 64.529 62.300 -0.070 0.000 1.024 110 V CB -0.638 31.209 31.823 0.040 0.000 0.648 110 V HN 0.352 nan 8.190 nan 0.000 0.447 111 R N -0.332 120.090 120.500 -0.130 0.000 2.083 111 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 111 R C 2.438 178.612 176.300 -0.210 0.000 1.137 111 R CA 2.061 58.041 56.100 -0.200 0.000 0.951 111 R CB -0.715 29.479 30.300 -0.176 0.000 0.851 111 R HN 0.502 nan 8.270 nan 0.000 0.434 112 T N 0.622 115.067 114.554 -0.182 0.000 2.701 112 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 112 T C 2.011 176.577 174.700 -0.224 0.000 1.040 112 T CA 1.313 63.306 62.100 -0.178 0.000 1.147 112 T CB -0.209 68.583 68.868 -0.127 0.000 0.865 112 T HN -0.023 nan 8.240 nan 0.000 0.426 113 V N 1.874 121.596 119.914 -0.321 0.000 2.282 113 V HA -0.182 3.937 4.120 -0.000 0.000 0.249 113 V C 2.529 178.453 176.094 -0.284 0.000 1.057 113 V CA 1.652 63.739 62.300 -0.355 0.000 1.032 113 V CB -0.706 30.794 31.823 -0.539 0.000 0.645 113 V HN 0.446 nan 8.190 nan 0.000 0.447 114 L N -1.219 119.847 121.223 -0.263 0.000 2.056 114 L HA -0.211 4.129 4.340 -0.000 0.000 0.207 114 L C 2.704 179.435 176.870 -0.231 0.000 1.078 114 L CA 1.710 56.406 54.840 -0.239 0.000 0.749 114 L CB -0.791 41.123 42.059 -0.242 0.000 0.901 114 L HN 0.466 nan 8.230 nan 0.000 0.433 115 C N 0.680 119.845 119.300 -0.225 0.000 2.436 115 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 115 C C 2.670 177.565 174.990 -0.159 0.000 1.241 115 C CA 1.060 59.959 59.018 -0.198 0.000 1.721 115 C CB -0.621 27.008 27.740 -0.185 0.000 2.043 115 C HN 0.500 nan 8.230 nan 0.000 0.472 116 E N -0.398 119.713 120.200 -0.148 0.000 2.147 116 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 116 E C 2.075 178.624 176.600 -0.086 0.000 1.005 116 E CA 1.504 57.843 56.400 -0.102 0.000 0.810 116 E CB -0.423 29.218 29.700 -0.099 0.000 0.736 116 E HN 0.787 nan 8.360 nan 0.000 0.460 117 G N -0.534 108.161 108.800 -0.175 0.000 2.920 117 G HA2 0.115 4.075 3.960 -0.000 0.000 0.208 117 G HA3 0.115 4.075 3.960 -0.000 0.000 0.208 117 G C 0.996 175.878 174.900 -0.029 0.000 1.159 117 G CA 0.254 45.253 45.100 -0.169 0.000 0.784 117 G HN 0.403 nan 8.290 nan 0.000 0.535 118 G N -0.727 108.021 108.800 -0.087 0.000 2.176 118 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.252 118 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.252 118 G C 0.200 174.947 174.900 -0.254 0.000 1.024 118 G CA 0.096 45.126 45.100 -0.117 0.000 0.755 118 G HN 0.682 nan 8.290 nan 0.000 0.507 119 V N 1.358 121.094 119.914 -0.297 0.000 2.508 119 V HA 0.302 4.422 4.120 -0.000 0.000 0.281 119 V C -1.100 174.603 176.094 -0.653 0.000 1.041 119 V CA -1.179 60.791 62.300 -0.551 0.000 1.016 119 V CB 1.071 32.714 31.823 -0.301 0.000 0.984 119 V HN 0.192 nan 8.190 nan 0.000 0.478 120 P HA 0.084 nan 4.420 nan 0.000 0.264 120 P C -0.281 176.793 177.300 -0.376 0.000 1.183 120 P CA -0.079 62.681 63.100 -0.567 0.000 0.763 120 P CB 0.379 31.727 31.700 -0.586 0.000 0.807 121 Q N 1.740 121.398 119.800 -0.237 0.000 2.540 121 Q HA 0.084 4.423 4.340 -0.000 0.000 0.256 121 Q C 0.494 176.426 176.000 -0.114 0.000 1.084 121 Q CA 0.446 56.158 55.803 -0.152 0.000 0.956 121 Q CB 0.219 28.961 28.738 0.007 0.000 1.303 121 Q HN 0.279 nan 8.270 nan 0.000 0.509 122 R N 1.972 122.402 120.500 -0.117 0.000 2.698 122 R HA 0.053 4.393 4.340 -0.000 0.000 0.266 122 R C -1.890 174.435 176.300 0.042 0.000 1.026 122 R CA -1.053 54.977 56.100 -0.116 0.000 1.102 122 R CB -0.441 29.704 30.300 -0.260 0.000 0.978 122 R HN 0.517 nan 8.270 nan 0.000 0.436 123 P HA -0.107 nan 4.420 nan 0.000 0.269 123 P C 1.097 178.485 177.300 0.146 0.000 1.217 123 P CA -0.012 63.208 63.100 0.199 0.000 0.783 123 P CB 0.352 32.211 31.700 0.265 0.000 0.898 124 V N 0.320 120.309 119.914 0.125 0.000 2.278 124 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 124 V C 0.876 176.920 176.094 -0.083 0.000 1.062 124 V CA 1.622 63.941 62.300 0.031 0.000 1.038 124 V CB -1.122 30.719 31.823 0.030 0.000 0.646 124 V HN 0.267 nan 8.190 nan 0.000 0.447 125 V N 0.615 120.441 119.914 -0.147 0.000 2.604 125 V HA 0.669 4.789 4.120 -0.000 0.000 0.305 125 V C -0.817 175.307 176.094 0.051 0.000 1.043 125 V CA -0.471 61.688 62.300 -0.235 0.000 0.888 125 V CB 1.676 33.011 31.823 -0.813 0.000 0.995 125 V HN 0.471 nan 8.190 nan 0.000 0.429 126 F N 5.789 125.698 119.950 -0.068 0.000 2.561 126 F HA 0.786 5.313 4.527 -0.000 0.000 0.313 126 F C -0.572 175.227 175.800 -0.001 0.000 1.126 126 F CA -0.731 57.264 58.000 -0.008 0.000 0.918 126 F CB 1.937 40.940 39.000 0.004 0.000 1.199 126 F HN 0.392 nan 8.300 nan 0.000 0.444 127 V N 2.213 121.612 119.914 -0.858 0.000 2.628 127 V HA 0.736 4.856 4.120 -0.000 0.000 0.306 127 V C -0.057 175.402 176.094 -1.059 0.000 1.045 127 V CA -0.324 61.561 62.300 -0.693 0.000 0.905 127 V CB 1.080 32.723 31.823 -0.300 0.000 0.997 127 V HN 0.966 nan 8.190 nan 0.000 0.436 128 T N 1.836 116.082 114.554 -0.514 0.000 2.900 128 T HA 0.501 4.851 4.350 -0.000 0.000 0.307 128 T C 0.131 174.725 174.700 -0.177 0.000 1.065 128 T CA -0.460 61.491 62.100 -0.249 0.000 1.105 128 T CB 0.522 69.384 68.868 -0.011 0.000 0.979 128 T HN 0.892 nan 8.240 nan 0.000 0.544 129 R N 1.414 121.874 120.500 -0.068 0.000 2.644 129 R HA 0.244 4.584 4.340 -0.000 0.000 0.271 129 R C 1.098 177.405 176.300 0.012 0.000 1.687 129 R CA -0.560 55.519 56.100 -0.035 0.000 1.655 129 R CB 0.693 30.972 30.300 -0.034 0.000 1.285 129 R HN 0.678 nan 8.270 nan 0.000 0.643 130 K N 1.766 122.174 120.400 0.013 0.000 2.057 130 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 130 K C 1.701 178.316 176.600 0.025 0.000 1.049 130 K CA 1.490 57.795 56.287 0.030 0.000 0.931 130 K CB 0.308 32.823 32.500 0.025 0.000 0.714 130 K HN 0.145 nan 8.250 nan 0.000 0.440 131 K N 0.731 121.139 120.400 0.014 0.000 2.057 131 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 131 K C 2.175 178.783 176.600 0.013 0.000 1.050 131 K CA 0.970 57.264 56.287 0.012 0.000 0.935 131 K CB -0.029 32.474 32.500 0.005 0.000 0.715 131 K HN 0.082 nan 8.250 nan 0.000 0.439 132 L N 0.401 121.631 121.223 0.011 0.000 2.027 132 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 132 L C 2.364 179.250 176.870 0.026 0.000 1.074 132 L CA 0.823 55.670 54.840 0.012 0.000 0.745 132 L CB -0.320 41.743 42.059 0.006 0.000 0.898 132 L HN 0.023 nan 8.230 nan 0.000 0.433 133 V N 0.150 120.089 119.914 0.041 0.000 2.295 133 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 133 V C 2.013 178.133 176.094 0.043 0.000 1.049 133 V CA 2.277 64.610 62.300 0.055 0.000 1.024 133 V CB -0.835 31.037 31.823 0.081 0.000 0.648 133 V HN 0.512 nan 8.190 nan 0.000 0.447 134 N N 0.261 118.983 118.700 0.036 0.000 2.149 134 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 134 N C 1.904 177.426 175.510 0.020 0.000 1.019 134 N CA 1.175 54.242 53.050 0.027 0.000 0.857 134 N CB -0.287 38.214 38.487 0.023 0.000 0.997 134 N HN 0.502 nan 8.380 nan 0.000 0.426 135 A N 1.079 123.910 122.820 0.019 0.000 1.930 135 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 135 A C 2.091 179.686 177.584 0.017 0.000 1.175 135 A CA 0.956 53.003 52.037 0.016 0.000 0.627 135 A CB -0.505 18.504 19.000 0.016 0.000 0.815 135 A HN 0.184 nan 8.150 nan 0.000 0.443 136 I N -0.670 119.915 120.570 0.024 0.000 2.202 136 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 136 I C 2.765 178.898 176.117 0.027 0.000 1.091 136 I CA 1.499 62.816 61.300 0.029 0.000 1.368 136 I CB -0.438 37.582 38.000 0.034 0.000 1.058 136 I HN 0.392 nan 8.210 nan 0.000 0.410 137 Q N 0.160 119.980 119.800 0.032 0.000 2.084 137 Q HA -0.280 4.060 4.340 -0.000 0.000 0.202 137 Q C 2.288 178.291 176.000 0.004 0.000 0.978 137 Q CA 1.521 57.346 55.803 0.037 0.000 0.844 137 Q CB -0.238 28.524 28.738 0.040 0.000 0.898 137 Q HN 0.509 nan 8.270 nan 0.000 0.426 138 Q N 0.628 120.421 119.800 -0.012 0.000 2.084 138 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 138 Q C 1.666 177.605 176.000 -0.102 0.000 0.978 138 Q CA 1.160 56.937 55.803 -0.043 0.000 0.844 138 Q CB 0.201 28.923 28.738 -0.027 0.000 0.898 138 Q HN 0.163 nan 8.270 nan 0.000 0.426 139 K N 0.615 120.951 120.400 -0.106 0.000 2.057 139 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 139 K C 2.259 178.710 176.600 -0.248 0.000 1.050 139 K CA 0.746 56.883 56.287 -0.250 0.000 0.935 139 K CB -0.611 31.833 32.500 -0.094 0.000 0.715 139 K HN 0.299 nan 8.250 nan 0.000 0.439 140 L N 1.797 122.985 121.223 -0.058 0.000 2.079 140 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 140 L C 2.483 179.353 176.870 -0.001 0.000 1.081 140 L CA 1.633 56.516 54.840 0.072 0.000 0.752 140 L CB -0.613 41.576 42.059 0.217 0.000 0.896 140 L HN 0.245 nan 8.230 nan 0.000 0.433 141 S N -0.992 114.658 115.700 -0.084 0.000 2.561 141 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 141 S C 1.704 176.208 174.600 -0.161 0.000 0.977 141 S CA 0.378 58.497 58.200 -0.135 0.000 0.926 141 S CB -0.133 63.005 63.200 -0.104 0.000 0.769 141 S HN 0.376 nan 8.310 nan 0.000 0.533 142 K N 0.601 120.860 120.400 -0.235 0.000 2.418 142 K HA 0.297 4.617 4.320 -0.000 0.000 0.195 142 K C 1.520 178.026 176.600 -0.155 0.000 1.035 142 K CA 0.274 56.404 56.287 -0.261 0.000 1.003 142 K CB -0.203 31.978 32.500 -0.531 0.000 0.793 142 K HN 0.389 nan 8.250 nan 0.000 0.494 143 L N 0.995 122.150 121.223 -0.112 0.000 2.141 143 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 143 L C 0.439 177.302 176.870 -0.012 0.000 1.094 143 L CA 0.669 55.514 54.840 0.007 0.000 0.763 143 L CB -0.309 41.794 42.059 0.074 0.000 0.908 143 L HN 0.142 nan 8.230 nan 0.000 0.437 144 K N 0.344 120.699 120.400 -0.074 0.000 3.148 144 K HA -0.241 4.079 4.320 -0.000 0.000 0.267 144 K C 0.994 177.561 176.600 -0.055 0.000 0.996 144 K CA 0.588 56.830 56.287 -0.076 0.000 0.737 144 K CB -2.211 30.265 32.500 -0.041 0.000 1.308 144 K HN 0.661 nan 8.250 nan 0.000 0.470 145 G N -0.460 108.302 108.800 -0.064 0.000 2.189 145 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 145 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 145 G C -0.043 174.857 174.900 0.000 0.000 0.975 145 G CA 0.893 45.976 45.100 -0.029 0.000 0.644 145 G HN 0.413 nan 8.290 nan 0.000 0.537 146 E N 0.348 120.551 120.200 0.006 0.000 2.235 146 E HA 0.488 4.838 4.350 -0.000 0.000 0.265 146 E C -2.441 174.159 176.600 -0.000 0.000 0.940 146 E CA -2.102 54.302 56.400 0.008 0.000 0.819 146 E CB 1.386 31.096 29.700 0.017 0.000 1.206 146 E HN 0.044 nan 8.360 nan 0.000 0.409 147 P HA 0.227 nan 4.420 nan 0.000 0.267 147 P C -0.290 176.948 177.300 -0.104 0.000 1.201 147 P CA 0.294 63.335 63.100 -0.099 0.000 0.775 147 P CB 0.523 32.168 31.700 -0.092 0.000 0.854 148 G N 0.305 108.940 108.800 -0.274 0.000 2.316 148 G HA2 0.396 4.356 3.960 -0.000 0.000 0.296 148 G HA3 0.396 4.356 3.960 -0.000 0.000 0.296 148 G C -2.511 172.143 174.900 -0.410 0.000 1.399 148 G CA -0.860 44.115 45.100 -0.208 0.000 0.833 148 G HN 0.314 nan 8.290 nan 0.000 0.565 149 W N -0.154 121.204 121.300 0.096 0.000 2.739 149 W HA 0.627 5.287 4.660 -0.000 0.000 0.331 149 W C -0.445 176.153 176.519 0.131 0.000 1.049 149 W CA -0.921 56.459 57.345 0.058 0.000 1.234 149 W CB 2.554 32.014 29.460 0.001 0.000 1.404 149 W HN 0.319 nan 8.180 nan 0.000 0.477 150 V N 2.909 122.995 119.914 0.287 0.000 2.444 150 V HA 0.539 4.658 4.120 -0.000 0.000 0.294 150 V C -0.338 175.850 176.094 0.156 0.000 1.022 150 V CA -0.714 61.728 62.300 0.237 0.000 0.850 150 V CB 1.647 33.563 31.823 0.156 0.000 0.992 150 V HN 0.532 nan 8.190 nan 0.000 0.426 151 T N 6.352 120.994 114.554 0.147 0.000 2.770 151 T HA 0.618 4.968 4.350 -0.000 0.000 0.283 151 T C -0.197 174.560 174.700 0.096 0.000 0.988 151 T CA -0.123 62.034 62.100 0.094 0.000 0.957 151 T CB 0.896 69.805 68.868 0.068 0.000 0.930 151 T HN 0.390 nan 8.240 nan 0.000 0.443 152 I N 4.966 125.564 120.570 0.047 0.000 2.304 152 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 152 I C 0.215 176.355 176.117 0.038 0.000 1.018 152 I CA -0.657 60.655 61.300 0.019 0.000 1.260 152 I CB 0.434 38.429 38.000 -0.009 0.000 1.390 152 I HN 0.763 nan 8.210 nan 0.000 0.475 153 H N 4.196 123.245 119.070 -0.035 0.000 2.690 153 H HA 0.962 5.518 4.556 -0.000 0.000 0.368 153 H C -0.471 174.831 175.328 -0.043 0.000 1.150 153 H CA -0.818 55.196 56.048 -0.056 0.000 1.174 153 H CB 2.097 31.820 29.762 -0.066 0.000 1.684 153 H HN 0.712 nan 8.280 nan 0.000 0.538 154 G N 1.529 110.336 108.800 0.012 0.000 2.321 154 G HA2 0.276 4.235 3.960 -0.000 0.000 0.298 154 G HA3 0.276 4.235 3.960 -0.000 0.000 0.298 154 G C -0.734 174.162 174.900 -0.007 0.000 1.385 154 G CA -0.795 44.290 45.100 -0.025 0.000 0.856 154 G HN 0.983 nan 8.290 nan 0.000 0.584 155 M N 0.666 120.267 119.600 0.002 0.000 2.240 155 M HA 0.657 5.137 4.480 -0.000 0.000 0.317 155 M C 0.747 177.054 176.300 0.012 0.000 1.087 155 M CA 0.247 55.555 55.300 0.014 0.000 1.176 155 M CB 0.601 33.225 32.600 0.040 0.000 1.439 155 M HN 1.626 nan 8.290 nan 0.000 0.452 156 A N 2.159 124.993 122.820 0.023 0.000 2.567 156 A HA 0.398 4.718 4.320 -0.000 0.000 0.240 156 A C 1.365 178.971 177.584 0.036 0.000 1.053 156 A CA 0.492 52.555 52.037 0.044 0.000 0.755 156 A CB -1.292 17.724 19.000 0.027 0.000 0.978 156 A HN 1.924 nan 8.150 nan 0.000 0.507 157 G N 0.467 109.330 108.800 0.105 0.000 2.162 157 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 157 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 157 G C 1.190 176.072 174.900 -0.029 0.000 0.976 157 G CA 0.997 46.068 45.100 -0.049 0.000 0.655 157 G HN 2.272 nan 8.290 nan 0.000 0.533 158 C N -0.474 118.831 119.300 0.008 0.000 2.522 158 C HA 0.567 5.027 4.460 -0.000 0.000 0.271 158 C C 2.166 177.162 174.990 0.009 0.000 1.425 158 C CA 0.659 59.677 59.018 0.000 0.000 1.751 158 C CB -0.961 26.777 27.740 -0.004 0.000 1.775 158 C HN 2.379 nan 8.230 nan 0.000 0.557 159 G N 0.723 109.542 108.800 0.032 0.000 2.135 159 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.183 159 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.183 159 G C 0.650 175.590 174.900 0.067 0.000 1.004 159 G CA 0.288 45.420 45.100 0.053 0.000 0.677 159 G HN 0.575 nan 8.290 nan 0.000 0.512 160 K N 0.699 121.134 120.400 0.060 0.000 2.097 160 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 160 K C 2.851 179.506 176.600 0.092 0.000 1.050 160 K CA 1.709 58.026 56.287 0.049 0.000 0.938 160 K CB -0.178 32.332 32.500 0.017 0.000 0.718 160 K HN 0.568 nan 8.250 nan 0.000 0.442 161 S N 0.745 116.525 115.700 0.133 0.000 2.387 161 S HA -0.082 4.388 4.470 -0.000 0.000 0.226 161 S C 2.166 176.922 174.600 0.259 0.000 1.026 161 S CA 0.864 59.215 58.200 0.252 0.000 0.972 161 S CB -0.427 62.940 63.200 0.277 0.000 0.814 161 S HN 0.022 nan 8.310 nan 0.000 0.477 162 V N 2.053 122.066 119.914 0.165 0.000 2.407 162 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 162 V C 2.580 178.776 176.094 0.170 0.000 1.055 162 V CA 1.839 64.232 62.300 0.155 0.000 1.049 162 V CB -0.816 31.117 31.823 0.183 0.000 0.662 162 V HN 0.477 nan 8.190 nan 0.000 0.455 163 L N -0.123 121.189 121.223 0.149 0.000 2.056 163 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 163 L C 2.716 179.656 176.870 0.117 0.000 1.078 163 L CA 1.471 56.387 54.840 0.126 0.000 0.749 163 L CB -0.739 41.368 42.059 0.080 0.000 0.901 163 L HN 0.349 nan 8.230 nan 0.000 0.433 164 A N -0.011 122.891 122.820 0.136 0.000 1.902 164 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 164 A C 2.512 180.213 177.584 0.196 0.000 1.181 164 A CA 1.752 53.870 52.037 0.135 0.000 0.623 164 A CB -0.682 18.377 19.000 0.099 0.000 0.818 164 A HN 0.403 nan 8.150 nan 0.000 0.443 165 A N -0.573 122.395 122.820 0.247 0.000 1.873 165 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 165 A C 1.956 179.546 177.584 0.010 0.000 1.186 165 A CA 1.677 53.772 52.037 0.095 0.000 0.616 165 A CB -0.427 18.512 19.000 -0.102 0.000 0.823 165 A HN 0.413 nan 8.150 nan 0.000 0.442 166 E N 0.085 120.301 120.200 0.028 0.000 2.077 166 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 166 E C 2.324 178.947 176.600 0.038 0.000 0.989 166 E CA 1.248 57.658 56.400 0.018 0.000 0.800 166 E CB -0.691 29.081 29.700 0.120 0.000 0.746 166 E HN 0.558 nan 8.360 nan 0.000 0.452 167 A N 0.990 123.845 122.820 0.060 0.000 1.978 167 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 167 A C 2.360 179.975 177.584 0.051 0.000 1.170 167 A CA 1.985 54.057 52.037 0.057 0.000 0.636 167 A CB -0.535 18.497 19.000 0.055 0.000 0.810 167 A HN 0.215 nan 8.150 nan 0.000 0.448 168 V N -3.661 116.271 119.914 0.030 0.000 3.649 168 V HA 0.269 4.389 4.120 -0.000 0.000 0.275 168 V C 1.250 177.342 176.094 -0.005 0.000 1.281 168 V CA 0.698 63.009 62.300 0.018 0.000 1.143 168 V CB -0.740 31.066 31.823 -0.029 0.000 0.892 168 V HN 0.410 nan 8.190 nan 0.000 0.441 169 R N 1.605 122.094 120.500 -0.019 0.000 4.792 169 R HA 0.296 4.636 4.340 -0.000 0.000 0.205 169 R C -0.712 175.590 176.300 0.004 0.000 1.875 169 R CA 0.080 56.152 56.100 -0.047 0.000 1.588 169 R CB -0.681 29.559 30.300 -0.099 0.000 1.401 169 R HN 0.680 nan 8.270 nan 0.000 0.834 170 D N -1.523 118.903 120.400 0.043 0.000 2.890 170 D HA 0.044 4.684 4.640 -0.000 0.000 0.233 170 D C 0.267 176.647 176.300 0.133 0.000 1.306 170 D CA -0.574 53.478 54.000 0.086 0.000 0.929 170 D CB 1.086 41.933 40.800 0.078 0.000 1.512 170 D HN 0.229 nan 8.370 nan 0.000 0.568 171 H N 1.802 120.926 119.070 0.090 0.000 2.293 171 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 171 H C 1.411 176.790 175.328 0.086 0.000 1.082 171 H CA 2.496 58.623 56.048 0.132 0.000 1.308 171 H CB 0.501 30.310 29.762 0.078 0.000 1.375 171 H HN 0.309 nan 8.280 nan 0.000 0.495 172 S N 0.344 116.168 115.700 0.207 0.000 2.356 172 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 172 S C 2.154 176.776 174.600 0.036 0.000 1.032 172 S CA 1.177 59.447 58.200 0.116 0.000 1.005 172 S CB -0.547 62.703 63.200 0.083 0.000 0.867 172 S HN 0.343 nan 8.310 nan 0.000 0.449 173 L N 1.174 122.425 121.223 0.047 0.000 2.012 173 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 173 L C 2.154 179.052 176.870 0.046 0.000 1.073 173 L CA 1.482 56.340 54.840 0.031 0.000 0.748 173 L CB -0.567 41.544 42.059 0.085 0.000 0.891 173 L HN 0.193 nan 8.230 nan 0.000 0.431 174 L N -0.324 120.964 121.223 0.108 0.000 2.005 174 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 174 L C 2.580 179.526 176.870 0.128 0.000 1.072 174 L CA 2.076 57.020 54.840 0.173 0.000 0.744 174 L CB -0.880 41.265 42.059 0.143 0.000 0.895 174 L HN 0.504 nan 8.230 nan 0.000 0.433 175 E N -1.298 118.921 120.200 0.032 0.000 2.072 175 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 175 E C 2.026 178.590 176.600 -0.060 0.000 0.985 175 E CA 1.111 57.471 56.400 -0.066 0.000 0.801 175 E CB -0.304 29.210 29.700 -0.310 0.000 0.750 175 E HN 0.538 nan 8.360 nan 0.000 0.452 176 G N -0.321 108.432 108.800 -0.078 0.000 2.408 176 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 176 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 176 G C 1.530 176.309 174.900 -0.201 0.000 1.156 176 G CA 0.812 45.847 45.100 -0.109 0.000 0.793 176 G HN 0.375 nan 8.290 nan 0.000 0.535 177 C N -1.041 118.056 119.300 -0.339 0.000 2.609 177 C HA 0.442 4.902 4.460 -0.000 0.000 0.305 177 C C 0.288 174.735 174.990 -0.905 0.000 1.319 177 C CA -0.323 58.243 59.018 -0.752 0.000 1.793 177 C CB -0.410 26.620 27.740 -1.184 0.000 2.260 177 C HN 0.253 nan 8.230 nan 0.000 0.535 178 F N 1.085 121.030 119.950 -0.008 0.000 2.564 178 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 178 F C -1.732 174.075 175.800 0.012 0.000 1.458 178 F CA -2.407 55.587 58.000 -0.010 0.000 1.117 178 F CB -0.213 38.767 39.000 -0.033 0.000 1.383 178 F HN 0.021 nan 8.300 nan 0.000 0.571 179 P HA -0.087 nan 4.420 nan 0.000 0.225 179 P C 1.625 179.002 177.300 0.129 0.000 1.148 179 P CA 1.143 64.320 63.100 0.130 0.000 0.779 179 P CB 0.279 32.023 31.700 0.073 0.000 0.780 180 G N -1.152 107.730 108.800 0.136 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 0.790 175.758 174.900 0.113 0.000 1.159 180 G CA 0.459 45.643 45.100 0.141 0.000 0.784 180 G HN 0.620 nan 8.290 nan 0.000 0.535 181 G N -1.429 107.399 108.800 0.047 0.000 2.582 181 G HA2 0.236 4.196 3.960 -0.000 0.000 0.222 181 G HA3 0.236 4.196 3.960 -0.000 0.000 0.222 181 G C -0.439 174.339 174.900 -0.203 0.000 1.311 181 G CA 0.089 45.120 45.100 -0.115 0.000 0.915 181 G HN 1.545 nan 8.290 nan 0.000 0.528 182 V N -3.324 116.351 119.914 -0.398 0.000 2.925 182 V HA 0.919 5.039 4.120 -0.000 0.000 0.311 182 V C -0.638 175.097 176.094 -0.597 0.000 1.104 182 V CA -0.978 61.088 62.300 -0.390 0.000 0.954 182 V CB 1.907 33.565 31.823 -0.275 0.000 1.022 182 V HN 1.355 nan 8.190 nan 0.000 0.427 183 H N 3.457 122.440 119.070 -0.145 0.000 2.689 183 H HA 0.476 5.032 4.556 -0.000 0.000 0.346 183 H C -1.445 173.859 175.328 -0.040 0.000 1.037 183 H CA -0.132 55.855 56.048 -0.101 0.000 1.234 183 H CB 1.876 31.533 29.762 -0.175 0.000 1.572 183 H HN 0.942 nan 8.280 nan 0.000 0.524 184 W N 5.834 127.086 121.300 -0.080 0.000 2.361 184 W HA 0.491 5.151 4.660 -0.000 0.000 0.309 184 W C -1.508 174.951 176.519 -0.101 0.000 1.122 184 W CA -0.665 56.610 57.345 -0.116 0.000 1.208 184 W CB 1.066 30.447 29.460 -0.132 0.000 1.246 184 W HN 0.320 nan 8.180 nan 0.000 0.490 185 V N 5.275 124.978 119.914 -0.352 0.000 2.407 185 V HA 0.189 4.309 4.120 -0.000 0.000 0.291 185 V C 0.105 176.003 176.094 -0.327 0.000 1.018 185 V CA -0.790 61.384 62.300 -0.209 0.000 0.842 185 V CB 1.275 32.978 31.823 -0.200 0.000 0.996 185 V HN 0.482 nan 8.190 nan 0.000 0.426 186 S N 3.807 119.469 115.700 -0.063 0.000 2.448 186 S HA 0.390 4.860 4.470 -0.000 0.000 0.279 186 S C 0.747 175.304 174.600 -0.070 0.000 1.195 186 S CA -0.522 57.652 58.200 -0.044 0.000 1.051 186 S CB 1.527 64.739 63.200 0.020 0.000 0.948 186 S HN 0.507 nan 8.310 nan 0.000 0.493 187 V N 2.713 122.570 119.914 -0.095 0.000 2.868 187 V HA 0.449 4.569 4.120 -0.000 0.000 0.227 187 V C 1.474 177.548 176.094 -0.035 0.000 1.136 187 V CA 0.806 63.070 62.300 -0.060 0.000 1.206 187 V CB -1.541 30.228 31.823 -0.089 0.000 0.997 187 V HN 1.114 nan 8.190 nan 0.000 0.505 188 G N 0.942 109.751 108.800 0.015 0.000 2.752 188 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 188 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 188 G C -0.313 174.529 174.900 -0.097 0.000 1.367 188 G CA 0.279 45.411 45.100 0.053 0.000 0.879 188 G HN 0.631 nan 8.290 nan 0.000 0.563 189 K N 0.918 120.999 120.400 -0.531 0.000 2.383 189 K HA 0.467 4.787 4.320 -0.000 0.000 0.286 189 K C 0.087 176.488 176.600 -0.330 0.000 1.051 189 K CA 0.435 56.246 56.287 -0.792 0.000 0.974 189 K CB 0.441 32.124 32.500 -1.362 0.000 0.968 189 K HN 0.518 nan 8.250 nan 0.000 0.475 190 Q N 2.723 122.417 119.800 -0.178 0.000 2.389 190 Q HA 0.241 4.581 4.340 -0.000 0.000 0.277 190 Q C -0.896 175.186 176.000 0.135 0.000 1.082 190 Q CA -0.918 54.857 55.803 -0.048 0.000 0.810 190 Q CB 1.889 30.599 28.738 -0.046 0.000 1.374 190 Q HN 0.836 nan 8.270 nan 0.000 0.422 191 D N 0.245 120.725 120.400 0.134 0.000 2.506 191 D HA 0.190 4.830 4.640 -0.000 0.000 0.272 191 D C 0.763 177.208 176.300 0.241 0.000 1.214 191 D CA -0.446 53.671 54.000 0.194 0.000 1.067 191 D CB 0.979 41.775 40.800 -0.007 0.000 1.117 191 D HN 0.083 nan 8.370 nan 0.000 0.578 192 K N -0.207 120.217 120.400 0.041 0.000 2.057 192 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 192 K C 2.057 178.644 176.600 -0.021 0.000 1.049 192 K CA 1.761 58.057 56.287 0.016 0.000 0.931 192 K CB -0.795 31.602 32.500 -0.173 0.000 0.714 192 K HN 0.611 nan 8.250 nan 0.000 0.440 193 S N 0.112 115.718 115.700 -0.157 0.000 2.428 193 S HA -0.029 4.441 4.470 -0.000 0.000 0.230 193 S C 2.244 176.721 174.600 -0.205 0.000 1.014 193 S CA 0.951 59.041 58.200 -0.184 0.000 0.957 193 S CB -0.463 62.610 63.200 -0.212 0.000 0.784 193 S HN 0.326 nan 8.310 nan 0.000 0.499 194 G N 1.894 110.603 108.800 -0.152 0.000 2.404 194 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.215 194 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.215 194 G C 1.356 176.221 174.900 -0.058 0.000 1.174 194 G CA 0.940 45.978 45.100 -0.104 0.000 0.780 194 G HN 0.475 nan 8.290 nan 0.000 0.537 195 L N 0.142 121.370 121.223 0.008 0.000 2.056 195 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 195 L C 2.517 179.373 176.870 -0.024 0.000 1.078 195 L CA 1.338 56.187 54.840 0.016 0.000 0.749 195 L CB -0.555 41.551 42.059 0.078 0.000 0.901 195 L HN 0.183 nan 8.230 nan 0.000 0.433 196 L N -0.721 120.479 121.223 -0.038 0.000 2.042 196 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 196 L C 2.412 179.227 176.870 -0.092 0.000 1.076 196 L CA 2.049 56.848 54.840 -0.068 0.000 0.749 196 L CB -0.509 41.508 42.059 -0.070 0.000 0.893 196 L HN 0.331 nan 8.230 nan 0.000 0.432 197 M N -0.983 118.538 119.600 -0.131 0.000 2.082 197 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 197 M C 2.147 178.399 176.300 -0.080 0.000 1.069 197 M CA 1.742 56.956 55.300 -0.144 0.000 1.102 197 M CB -0.398 32.072 32.600 -0.218 0.000 1.336 197 M HN 0.137 nan 8.290 nan 0.000 0.404 198 K N 0.445 120.815 120.400 -0.050 0.000 2.057 198 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 198 K C 1.917 178.514 176.600 -0.003 0.000 1.050 198 K CA 1.290 57.571 56.287 -0.010 0.000 0.935 198 K CB -0.720 31.792 32.500 0.020 0.000 0.715 198 K HN 0.405 nan 8.250 nan 0.000 0.439 199 L N 1.247 122.451 121.223 -0.032 0.000 2.046 199 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 199 L C 2.683 179.520 176.870 -0.054 0.000 1.077 199 L CA 1.272 56.075 54.840 -0.061 0.000 0.747 199 L CB -0.432 41.548 42.059 -0.132 0.000 0.896 199 L HN 0.251 nan 8.230 nan 0.000 0.432 200 Q N -0.334 119.432 119.800 -0.056 0.000 2.050 200 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 200 Q C 2.080 178.059 176.000 -0.036 0.000 0.980 200 Q CA 1.725 57.498 55.803 -0.050 0.000 0.840 200 Q CB -0.351 28.351 28.738 -0.060 0.000 0.898 200 Q HN 0.521 nan 8.270 nan 0.000 0.424 201 N N 0.729 119.411 118.700 -0.030 0.000 2.104 201 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 201 N C 1.899 177.401 175.510 -0.014 0.000 1.024 201 N CA 0.849 53.890 53.050 -0.015 0.000 0.853 201 N CB 0.039 38.522 38.487 -0.006 0.000 1.008 201 N HN 0.149 nan 8.380 nan 0.000 0.424 202 L N 1.491 122.705 121.223 -0.014 0.000 2.056 202 L HA -0.082 4.257 4.340 -0.000 0.000 0.207 202 L C 2.558 179.397 176.870 -0.053 0.000 1.078 202 L CA 1.462 56.287 54.840 -0.025 0.000 0.749 202 L CB -1.044 41.021 42.059 0.011 0.000 0.901 202 L HN 0.251 nan 8.230 nan 0.000 0.433 203 C N -1.050 118.223 119.300 -0.045 0.000 2.425 203 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 203 C C 2.612 177.587 174.990 -0.026 0.000 1.280 203 C CA 1.335 60.325 59.018 -0.046 0.000 1.744 203 C CB -1.297 26.417 27.740 -0.043 0.000 1.989 203 C HN 0.612 nan 8.230 nan 0.000 0.491 204 T N 0.307 114.850 114.554 -0.017 0.000 2.746 204 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 204 T C 2.048 176.748 174.700 -0.001 0.000 1.039 204 T CA 1.105 63.205 62.100 0.000 0.000 1.142 204 T CB -0.236 68.634 68.868 0.003 0.000 0.866 204 T HN 0.542 nan 8.240 nan 0.000 0.444 205 R N 0.506 120.992 120.500 -0.023 0.000 2.096 205 R HA 0.045 4.385 4.340 -0.000 0.000 0.235 205 R C 2.224 178.482 176.300 -0.071 0.000 1.127 205 R CA 0.995 57.073 56.100 -0.036 0.000 0.968 205 R CB -0.447 29.823 30.300 -0.051 0.000 0.861 205 R HN 0.387 nan 8.270 nan 0.000 0.440 206 L N -0.052 121.102 121.223 -0.114 0.000 2.554 206 L HA -0.017 4.323 4.340 -0.000 0.000 0.226 206 L C 0.348 177.300 176.870 0.138 0.000 1.137 206 L CA 0.422 55.200 54.840 -0.104 0.000 0.863 206 L CB 0.061 42.004 42.059 -0.194 0.000 0.985 206 L HN 0.019 nan 8.230 nan 0.000 0.451 207 D N -1.062 119.386 120.400 0.080 0.000 2.656 207 D HA 0.110 4.750 4.640 -0.000 0.000 0.303 207 D C 0.905 177.261 176.300 0.093 0.000 1.199 207 D CA -0.094 53.977 54.000 0.119 0.000 0.797 207 D CB 0.665 41.543 40.800 0.130 0.000 1.170 207 D HN -0.001 nan 8.370 nan 0.000 0.509 208 Q N -0.067 119.785 119.800 0.086 0.000 2.020 208 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 208 Q C 1.104 177.140 176.000 0.059 0.000 0.974 208 Q CA 1.736 57.578 55.803 0.065 0.000 0.829 208 Q CB 0.164 28.938 28.738 0.061 0.000 0.894 208 Q HN 0.472 nan 8.270 nan 0.000 0.433 209 D N 0.072 120.509 120.400 0.062 0.000 2.384 209 D HA -0.196 4.444 4.640 -0.000 0.000 0.222 209 D C -0.163 176.157 176.300 0.033 0.000 0.976 209 D CA 0.922 54.948 54.000 0.043 0.000 0.915 209 D CB -0.170 40.652 40.800 0.037 0.000 0.896 209 D HN 0.302 nan 8.370 nan 0.000 0.523 210 E N -1.355 118.878 120.200 0.056 0.000 2.637 210 E HA -0.267 4.083 4.350 -0.000 0.000 0.265 210 E C 0.415 177.016 176.600 0.002 0.000 1.073 210 E CA 0.584 57.013 56.400 0.047 0.000 0.778 210 E CB -1.339 28.377 29.700 0.027 0.000 1.362 210 E HN 0.544 nan 8.360 nan 0.000 0.413 211 S N -1.022 114.666 115.700 -0.019 0.000 2.547 211 S HA 0.023 4.493 4.470 -0.000 0.000 0.235 211 S C 0.574 174.813 174.600 -0.601 0.000 0.980 211 S CA 0.627 58.669 58.200 -0.264 0.000 0.941 211 S CB -0.002 63.027 63.200 -0.285 0.000 0.763 211 S HN 0.299 nan 8.310 nan 0.000 0.532 212 F N 0.600 120.541 119.950 -0.015 0.000 2.782 212 F HA 0.583 5.110 4.527 -0.000 0.000 0.366 212 F C 0.833 176.624 175.800 -0.014 0.000 1.171 212 F CA -1.505 56.485 58.000 -0.016 0.000 1.064 212 F CB 0.360 39.350 39.000 -0.016 0.000 1.449 212 F HN -0.141 nan 8.300 nan 0.000 0.520 213 S N 0.470 116.282 115.700 0.187 0.000 2.573 213 S HA -0.096 4.374 4.470 -0.000 0.000 0.297 213 S C 0.915 175.551 174.600 0.060 0.000 1.280 213 S CA 0.037 58.287 58.200 0.082 0.000 1.061 213 S CB 0.489 63.727 63.200 0.065 0.000 0.812 213 S HN 0.723 nan 8.310 nan 0.000 0.500 214 Q N 2.966 122.784 119.800 0.030 0.000 2.311 214 Q HA -0.019 4.321 4.340 -0.000 0.000 0.203 214 Q C 0.703 176.721 176.000 0.029 0.000 0.954 214 Q CA 0.469 56.288 55.803 0.026 0.000 0.885 214 Q CB 0.143 28.888 28.738 0.013 0.000 0.963 214 Q HN 0.760 nan 8.270 nan 0.000 0.471 215 R N -0.051 120.464 120.500 0.025 0.000 2.500 215 R HA 0.412 4.752 4.340 -0.000 0.000 0.277 215 R C -0.773 175.540 176.300 0.021 0.000 1.026 215 R CA -0.602 55.518 56.100 0.032 0.000 1.058 215 R CB 0.685 31.008 30.300 0.038 0.000 1.078 215 R HN 0.008 nan 8.270 nan 0.000 0.509 216 L N 3.049 124.278 121.223 0.011 0.000 2.452 216 L HA 0.341 4.681 4.340 -0.000 0.000 0.267 216 L C -1.665 175.199 176.870 -0.009 0.000 1.188 216 L CA -2.187 52.649 54.840 -0.007 0.000 0.821 216 L CB 0.506 42.549 42.059 -0.026 0.000 1.102 216 L HN 0.612 nan 8.230 nan 0.000 0.470 217 P HA 0.040 nan 4.420 nan 0.000 0.271 217 P C 0.065 177.349 177.300 -0.027 0.000 1.216 217 P CA 0.019 63.105 63.100 -0.024 0.000 0.776 217 P CB 0.889 32.566 31.700 -0.039 0.000 0.881 218 L N 1.164 122.376 121.223 -0.019 0.000 2.664 218 L HA 0.142 4.482 4.340 -0.000 0.000 0.233 218 L C 0.677 177.536 176.870 -0.018 0.000 1.113 218 L CA 0.305 55.135 54.840 -0.017 0.000 0.896 218 L CB -0.340 41.716 42.059 -0.005 0.000 1.163 218 L HN 0.518 nan 8.230 nan 0.000 0.497 219 N N -2.187 116.500 118.700 -0.023 0.000 2.853 219 N HA 0.306 5.046 4.740 -0.000 0.000 0.258 219 N C 0.338 175.827 175.510 -0.035 0.000 1.444 219 N CA -0.843 52.192 53.050 -0.025 0.000 0.837 219 N CB 0.636 39.112 38.487 -0.018 0.000 1.489 219 N HN -0.207 nan 8.380 nan 0.000 0.529 220 I N -0.199 120.352 120.570 -0.033 0.000 2.315 220 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 220 I C 1.563 177.652 176.117 -0.045 0.000 1.117 220 I CA 1.137 62.415 61.300 -0.037 0.000 1.404 220 I CB -0.195 37.803 38.000 -0.002 0.000 1.071 220 I HN 0.566 nan 8.210 nan 0.000 0.419 221 E N 0.932 121.112 120.200 -0.032 0.000 2.051 221 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 221 E C 2.025 178.604 176.600 -0.035 0.000 0.991 221 E CA 1.238 57.620 56.400 -0.029 0.000 0.799 221 E CB -0.292 29.396 29.700 -0.020 0.000 0.748 221 E HN 0.542 nan 8.360 nan 0.000 0.449 222 E N 0.514 120.695 120.200 -0.032 0.000 2.110 222 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 222 E C 1.969 178.540 176.600 -0.047 0.000 0.988 222 E CA 0.987 57.368 56.400 -0.032 0.000 0.804 222 E CB -0.064 29.622 29.700 -0.023 0.000 0.745 222 E HN 0.198 nan 8.360 nan 0.000 0.458 223 A N 1.680 124.462 122.820 -0.063 0.000 1.929 223 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 223 A C 2.052 179.568 177.584 -0.114 0.000 1.176 223 A CA 1.486 53.471 52.037 -0.087 0.000 0.628 223 A CB -0.310 18.629 19.000 -0.102 0.000 0.816 223 A HN 0.085 nan 8.150 nan 0.000 0.444 224 K N -0.134 120.196 120.400 -0.116 0.000 2.026 224 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 224 K C 1.734 178.287 176.600 -0.078 0.000 1.048 224 K CA 1.967 58.182 56.287 -0.120 0.000 0.929 224 K CB -0.333 32.111 32.500 -0.093 0.000 0.713 224 K HN 0.378 nan 8.250 nan 0.000 0.439 225 D N 0.039 120.404 120.400 -0.058 0.000 2.123 225 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 225 D C 2.135 178.398 176.300 -0.062 0.000 0.992 225 D CA 1.397 55.369 54.000 -0.047 0.000 0.833 225 D CB 0.045 40.825 40.800 -0.033 0.000 0.954 225 D HN 0.240 nan 8.370 nan 0.000 0.455 226 R N -0.481 119.978 120.500 -0.068 0.000 2.075 226 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 226 R C 2.219 178.452 176.300 -0.112 0.000 1.126 226 R CA 0.936 56.985 56.100 -0.085 0.000 0.963 226 R CB -0.508 29.752 30.300 -0.066 0.000 0.858 226 R HN 0.252 nan 8.270 nan 0.000 0.435 227 L N 1.219 122.384 121.223 -0.096 0.000 2.046 227 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 227 L C 2.477 179.301 176.870 -0.078 0.000 1.077 227 L CA 1.839 56.627 54.840 -0.086 0.000 0.747 227 L CB -0.556 41.454 42.059 -0.082 0.000 0.896 227 L HN 0.198 nan 8.230 nan 0.000 0.432 228 R N -0.392 120.065 120.500 -0.071 0.000 2.083 228 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 228 R C 2.311 178.557 176.300 -0.090 0.000 1.137 228 R CA 2.292 58.356 56.100 -0.060 0.000 0.951 228 R CB -0.416 29.857 30.300 -0.044 0.000 0.851 228 R HN 0.472 nan 8.270 nan 0.000 0.434 229 I N 0.606 121.096 120.570 -0.133 0.000 2.286 229 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 229 I C 2.134 178.047 176.117 -0.340 0.000 1.104 229 I CA 0.988 62.162 61.300 -0.209 0.000 1.397 229 I CB -0.080 37.783 38.000 -0.228 0.000 1.072 229 I HN 0.216 nan 8.210 nan 0.000 0.417 230 L N -0.460 120.561 121.223 -0.337 0.000 2.141 230 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 230 L C 2.501 179.300 176.870 -0.117 0.000 1.094 230 L CA 0.827 55.468 54.840 -0.331 0.000 0.763 230 L CB -0.407 41.532 42.059 -0.199 0.000 0.908 230 L HN 0.274 nan 8.230 nan 0.000 0.437 231 M N -0.955 118.612 119.600 -0.055 0.000 2.254 231 M HA -0.096 4.384 4.480 -0.000 0.000 0.265 231 M C 2.206 178.503 176.300 -0.004 0.000 1.066 231 M CA 1.383 56.696 55.300 0.023 0.000 1.123 231 M CB -0.842 31.761 32.600 0.006 0.000 1.388 231 M HN 0.228 nan 8.290 nan 0.000 0.425 232 L N 0.304 121.495 121.223 -0.053 0.000 2.049 232 L HA -0.037 4.303 4.340 -0.000 0.000 0.203 232 L C 2.413 179.255 176.870 -0.047 0.000 1.074 232 L CA 1.779 56.594 54.840 -0.041 0.000 0.749 232 L CB -0.375 41.657 42.059 -0.046 0.000 0.907 232 L HN 0.091 nan 8.230 nan 0.000 0.439 233 R N -0.465 119.976 120.500 -0.098 0.000 2.210 233 R HA 0.101 4.441 4.340 -0.000 0.000 0.203 233 R C 1.842 178.111 176.300 -0.052 0.000 1.010 233 R CA 0.666 56.743 56.100 -0.038 0.000 1.008 233 R CB -0.051 30.262 30.300 0.020 0.000 0.923 233 R HN 0.426 nan 8.270 nan 0.000 0.469 234 K N -0.911 119.375 120.400 -0.191 0.000 2.424 234 K HA 0.141 4.461 4.320 -0.000 0.000 0.198 234 K C 0.183 176.419 176.600 -0.606 0.000 1.190 234 K CA 0.264 56.320 56.287 -0.384 0.000 0.935 234 K CB 0.762 32.940 32.500 -0.538 0.000 1.087 234 K HN 0.149 nan 8.250 nan 0.000 0.524 235 H N 0.981 120.056 119.070 0.008 0.000 2.674 235 H HA 0.238 4.794 4.556 -0.000 0.000 0.235 235 H C -2.611 172.739 175.328 0.038 0.000 1.330 235 H CA -1.843 54.232 56.048 0.045 0.000 1.052 235 H CB 0.572 30.370 29.762 0.061 0.000 1.954 235 H HN 0.113 nan 8.280 nan 0.000 0.566 236 P HA 0.059 nan 4.420 nan 0.000 0.272 236 P C 0.197 177.552 177.300 0.093 0.000 1.230 236 P CA -0.167 62.972 63.100 0.066 0.000 0.788 236 P CB 1.064 32.785 31.700 0.034 0.000 0.949 237 R N -1.517 119.035 120.500 0.087 0.000 3.416 237 R HA -0.110 4.230 4.340 -0.000 0.000 0.263 237 R C 0.211 176.630 176.300 0.198 0.000 1.053 237 R CA 0.740 56.909 56.100 0.114 0.000 0.705 237 R CB -2.750 27.594 30.300 0.072 0.000 1.124 237 R HN 0.778 nan 8.270 nan 0.000 0.444 238 S N -0.758 115.055 115.700 0.188 0.000 2.677 238 S HA 0.780 5.250 4.470 -0.000 0.000 0.304 238 S C -0.476 174.133 174.600 0.015 0.000 1.108 238 S CA -1.238 57.050 58.200 0.148 0.000 0.944 238 S CB 2.539 65.816 63.200 0.128 0.000 1.127 238 S HN 0.182 nan 8.310 nan 0.000 0.511 239 L N 1.177 122.242 121.223 -0.263 0.000 2.317 239 L HA 0.706 5.046 4.340 -0.000 0.000 0.281 239 L C -1.388 175.312 176.870 -0.283 0.000 1.024 239 L CA -0.869 53.687 54.840 -0.474 0.000 0.810 239 L CB 1.448 42.887 42.059 -1.033 0.000 1.240 239 L HN 0.780 nan 8.230 nan 0.000 0.427 240 L N 5.876 126.951 121.223 -0.248 0.000 2.272 240 L HA 0.535 4.875 4.340 -0.000 0.000 0.289 240 L C -0.668 176.021 176.870 -0.302 0.000 1.032 240 L CA 0.090 54.799 54.840 -0.218 0.000 0.810 240 L CB 1.036 42.983 42.059 -0.187 0.000 1.205 240 L HN 0.469 nan 8.230 nan 0.000 0.422 241 I N 6.095 126.464 120.570 -0.335 0.000 2.330 241 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 241 I C -0.691 175.017 176.117 -0.682 0.000 1.001 241 I CA -0.497 60.511 61.300 -0.485 0.000 1.193 241 I CB 1.009 38.708 38.000 -0.502 0.000 1.345 241 I HN 0.333 nan 8.210 nan 0.000 0.461 242 L N 5.590 126.443 121.223 -0.616 0.000 2.276 242 L HA 0.393 4.733 4.340 -0.000 0.000 0.286 242 L C -0.542 175.993 176.870 -0.558 0.000 1.024 242 L CA -0.502 53.970 54.840 -0.613 0.000 0.826 242 L CB 1.225 42.938 42.059 -0.577 0.000 1.211 242 L HN 0.517 nan 8.230 nan 0.000 0.422 243 D N 3.384 123.429 120.400 -0.591 0.000 2.317 243 D HA 0.173 4.813 4.640 -0.000 0.000 0.234 243 D C -0.183 176.001 176.300 -0.194 0.000 1.112 243 D CA 0.231 53.985 54.000 -0.410 0.000 0.840 243 D CB 0.805 41.388 40.800 -0.361 0.000 1.078 243 D HN 0.509 nan 8.370 nan 0.000 0.486 244 D N 2.640 122.959 120.400 -0.135 0.000 3.026 244 D HA -0.156 4.484 4.640 -0.000 0.000 0.248 244 D C -1.266 175.060 176.300 0.043 0.000 1.100 244 D CA 0.249 54.227 54.000 -0.037 0.000 0.855 244 D CB -0.735 40.100 40.800 0.058 0.000 1.011 244 D HN 0.081 nan 8.370 nan 0.000 0.423 245 V N 2.187 122.066 119.914 -0.059 0.000 2.498 245 V HA 0.261 4.381 4.120 -0.000 0.000 0.279 245 V C 1.092 177.175 176.094 -0.018 0.000 1.048 245 V CA -0.121 62.156 62.300 -0.038 0.000 0.967 245 V CB 1.335 33.078 31.823 -0.132 0.000 0.988 245 V HN 0.500 nan 8.190 nan 0.000 0.473 246 W N 0.929 122.127 121.300 -0.171 0.000 2.915 246 W HA 0.289 4.949 4.660 -0.000 0.000 0.276 246 W C 0.478 176.908 176.519 -0.148 0.000 1.215 246 W CA -0.197 57.072 57.345 -0.125 0.000 1.514 246 W CB 0.598 30.007 29.460 -0.086 0.000 1.017 246 W HN 0.448 nan 8.180 nan 0.000 0.598 247 D N -1.027 119.340 120.400 -0.054 0.000 2.819 247 D HA 0.081 4.721 4.640 -0.000 0.000 0.232 247 D C 0.931 177.081 176.300 -0.250 0.000 1.160 247 D CA 0.092 53.995 54.000 -0.161 0.000 0.858 247 D CB 2.178 42.771 40.800 -0.346 0.000 1.610 247 D HN -0.210 nan 8.370 nan 0.000 0.481 248 S N 1.556 117.188 115.700 -0.114 0.000 2.399 248 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 248 S C 1.861 176.437 174.600 -0.041 0.000 1.022 248 S CA 0.343 58.483 58.200 -0.101 0.000 0.983 248 S CB -0.443 62.721 63.200 -0.060 0.000 0.803 248 S HN 0.801 nan 8.310 nan 0.000 0.480 249 W N 1.802 123.099 121.300 -0.005 0.000 2.374 249 W HA -0.020 4.640 4.660 -0.000 0.000 0.288 249 W C 1.384 177.919 176.519 0.026 0.000 1.218 249 W CA 0.720 58.066 57.345 0.002 0.000 1.245 249 W CB -0.938 28.522 29.460 -0.001 0.000 1.126 249 W HN 0.185 nan 8.180 nan 0.000 0.545 250 V N 2.069 121.566 119.914 -0.696 0.000 2.358 250 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 250 V C 2.595 178.681 176.094 -0.014 0.000 1.047 250 V CA 1.774 63.737 62.300 -0.563 0.000 1.035 250 V CB -1.133 30.303 31.823 -0.645 0.000 0.658 250 V HN 0.097 nan 8.190 nan 0.000 0.452 251 L N 0.090 121.301 121.223 -0.021 0.000 2.131 251 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 251 L C 2.343 179.333 176.870 0.201 0.000 1.092 251 L CA 1.844 56.747 54.840 0.105 0.000 0.759 251 L CB -0.735 41.216 42.059 -0.181 0.000 0.903 251 L HN 0.235 nan 8.230 nan 0.000 0.435 252 K N -0.353 120.109 120.400 0.102 0.000 2.147 252 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 252 K C 1.997 178.670 176.600 0.122 0.000 1.049 252 K CA 1.258 57.621 56.287 0.126 0.000 0.936 252 K CB -0.363 32.201 32.500 0.107 0.000 0.722 252 K HN 0.318 nan 8.250 nan 0.000 0.446 253 A N -0.669 122.188 122.820 0.062 0.000 2.070 253 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 253 A C 1.382 178.787 177.584 -0.298 0.000 1.159 253 A CA 1.190 53.141 52.037 -0.145 0.000 0.656 253 A CB -0.562 18.261 19.000 -0.296 0.000 0.800 253 A HN 0.341 nan 8.150 nan 0.000 0.453 254 F N -0.679 119.327 119.950 0.095 0.000 2.664 254 F HA 0.187 4.714 4.527 -0.000 0.000 0.303 254 F C 0.473 176.367 175.800 0.157 0.000 1.092 254 F CA -0.598 57.462 58.000 0.100 0.000 1.305 254 F CB 0.349 39.419 39.000 0.115 0.000 1.054 254 F HN 0.063 nan 8.300 nan 0.000 0.565 255 D N 0.529 121.137 120.400 0.346 0.000 2.558 255 D HA 0.136 4.776 4.640 -0.000 0.000 0.221 255 D C -0.072 176.321 176.300 0.156 0.000 1.143 255 D CA 0.288 54.497 54.000 0.349 0.000 1.010 255 D CB -0.002 41.011 40.800 0.356 0.000 1.068 255 D HN -0.081 nan 8.370 nan 0.000 0.511 256 S N 1.970 117.715 115.700 0.075 0.000 2.665 256 S HA 0.110 4.580 4.470 -0.000 0.000 0.235 256 S C -0.176 174.416 174.600 -0.013 0.000 1.084 256 S CA -0.491 57.723 58.200 0.024 0.000 1.151 256 S CB 0.498 63.702 63.200 0.008 0.000 1.151 256 S HN 0.331 nan 8.310 nan 0.000 0.461 257 Q N -0.257 119.528 119.800 -0.025 0.000 2.478 257 Q HA -0.158 4.182 4.340 -0.000 0.000 0.286 257 Q C -0.322 175.627 176.000 -0.085 0.000 1.299 257 Q CA 0.442 56.217 55.803 -0.047 0.000 0.826 257 Q CB -2.707 26.020 28.738 -0.018 0.000 1.199 257 Q HN 0.698 nan 8.270 nan 0.000 0.451 258 C N 0.038 119.242 119.300 -0.160 0.000 2.407 258 C HA 0.583 5.043 4.460 -0.000 0.000 0.366 258 C C 0.644 175.470 174.990 -0.274 0.000 1.213 258 C CA -0.673 58.237 59.018 -0.180 0.000 2.011 258 C CB 1.737 29.368 27.740 -0.181 0.000 2.306 258 C HN 0.453 nan 8.230 nan 0.000 0.527 259 Q N 1.145 120.831 119.800 -0.191 0.000 2.314 259 Q HA 0.660 5.000 4.340 -0.000 0.000 0.259 259 Q C -1.076 174.766 176.000 -0.262 0.000 0.951 259 Q CA 0.261 55.953 55.803 -0.185 0.000 0.909 259 Q CB 1.101 29.848 28.738 0.015 0.000 1.236 259 Q HN 0.554 nan 8.270 nan 0.000 0.444 260 I N 3.448 123.820 120.570 -0.331 0.000 2.466 260 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 260 I C -1.175 174.858 176.117 -0.141 0.000 1.026 260 I CA -1.050 60.075 61.300 -0.292 0.000 1.078 260 I CB 1.707 39.456 38.000 -0.417 0.000 1.249 260 I HN 0.375 nan 8.210 nan 0.000 0.429 261 L N 8.385 129.503 121.223 -0.174 0.000 2.307 261 L HA 0.703 5.043 4.340 -0.000 0.000 0.284 261 L C -0.947 175.820 176.870 -0.172 0.000 1.023 261 L CA -0.282 54.482 54.840 -0.127 0.000 0.810 261 L CB 1.452 43.409 42.059 -0.169 0.000 1.231 261 L HN 0.531 nan 8.230 nan 0.000 0.423 262 L N 1.891 123.052 121.223 -0.104 0.000 2.393 262 L HA 0.953 5.293 4.340 -0.000 0.000 0.260 262 L C -0.408 176.387 176.870 -0.125 0.000 1.002 262 L CA -0.532 54.212 54.840 -0.159 0.000 0.818 262 L CB 2.107 44.103 42.059 -0.106 0.000 1.369 262 L HN 0.661 nan 8.230 nan 0.000 0.412 263 T N -1.618 112.838 114.554 -0.164 0.000 2.888 263 T HA 0.795 5.145 4.350 -0.000 0.000 0.284 263 T C -0.229 174.401 174.700 -0.116 0.000 1.017 263 T CA -0.491 61.544 62.100 -0.108 0.000 1.022 263 T CB 1.808 70.617 68.868 -0.098 0.000 1.013 263 T HN 0.973 nan 8.240 nan 0.000 0.465 264 T N 0.236 114.733 114.554 -0.095 0.000 2.957 264 T HA 0.386 4.736 4.350 -0.000 0.000 0.336 264 T C 0.392 175.005 174.700 -0.145 0.000 1.462 264 T CA -0.796 61.210 62.100 -0.157 0.000 1.073 264 T CB 1.545 70.320 68.868 -0.154 0.000 1.319 264 T HN 0.699 nan 8.240 nan 0.000 0.485 265 R N 1.108 121.440 120.500 -0.280 0.000 2.240 265 R HA 0.186 4.526 4.340 -0.000 0.000 0.203 265 R C -0.209 175.977 176.300 -0.190 0.000 1.011 265 R CA 0.276 56.237 56.100 -0.232 0.000 1.007 265 R CB 0.228 30.307 30.300 -0.368 0.000 0.911 265 R HN 0.390 nan 8.270 nan 0.000 0.468 266 D N 0.902 121.162 120.400 -0.234 0.000 2.454 266 D HA 0.038 4.678 4.640 -0.000 0.000 0.247 266 D C 0.471 176.646 176.300 -0.210 0.000 1.129 266 D CA -0.447 53.432 54.000 -0.202 0.000 0.877 266 D CB 1.067 41.749 40.800 -0.198 0.000 1.082 266 D HN 0.046 nan 8.370 nan 0.000 0.537 267 K N 1.153 121.378 120.400 -0.291 0.000 2.360 267 K HA -0.130 4.190 4.320 -0.000 0.000 0.201 267 K C 1.084 177.539 176.600 -0.241 0.000 1.046 267 K CA 1.257 57.330 56.287 -0.358 0.000 0.940 267 K CB -0.076 32.006 32.500 -0.696 0.000 0.748 267 K HN 0.198 nan 8.250 nan 0.000 0.465 268 S N 0.850 116.434 115.700 -0.193 0.000 2.603 268 S HA -0.031 4.439 4.470 -0.000 0.000 0.220 268 S C 1.896 176.407 174.600 -0.149 0.000 0.967 268 S CA 0.262 58.371 58.200 -0.151 0.000 0.920 268 S CB -0.252 62.881 63.200 -0.111 0.000 0.773 268 S HN 0.321 nan 8.310 nan 0.000 0.529 269 V N -1.029 118.786 119.914 -0.166 0.000 3.026 269 V HA -0.002 4.118 4.120 -0.000 0.000 0.265 269 V C 1.993 177.947 176.094 -0.234 0.000 1.121 269 V CA 1.909 64.106 62.300 -0.172 0.000 1.142 269 V CB -1.652 30.067 31.823 -0.173 0.000 0.730 269 V HN 0.559 nan 8.190 nan 0.000 0.503 270 T N -0.376 114.018 114.554 -0.266 0.000 3.144 270 T HA 0.080 4.430 4.350 -0.000 0.000 0.249 270 T C 1.158 175.668 174.700 -0.318 0.000 1.089 270 T CA 0.533 62.401 62.100 -0.388 0.000 0.989 270 T CB -0.510 68.124 68.868 -0.391 0.000 0.992 270 T HN 0.555 nan 8.240 nan 0.000 0.540 271 D N 0.925 121.199 120.400 -0.210 0.000 2.224 271 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 271 D C 2.134 178.358 176.300 -0.127 0.000 0.965 271 D CA 1.086 54.998 54.000 -0.147 0.000 0.852 271 D CB -0.069 40.670 40.800 -0.100 0.000 0.947 271 D HN 0.557 nan 8.370 nan 0.000 0.494 272 S N -0.646 114.976 115.700 -0.131 0.000 2.631 272 S HA 0.160 4.630 4.470 -0.000 0.000 0.217 272 S C 0.505 175.044 174.600 -0.101 0.000 0.958 272 S CA -0.455 57.695 58.200 -0.082 0.000 0.920 272 S CB 0.309 63.488 63.200 -0.035 0.000 0.776 272 S HN -0.086 nan 8.310 nan 0.000 0.517 273 V N 1.667 121.463 119.914 -0.196 0.000 2.864 273 V HA 0.647 4.767 4.120 -0.000 0.000 0.314 273 V C -0.598 175.410 176.094 -0.143 0.000 1.073 273 V CA -0.975 61.195 62.300 -0.217 0.000 0.956 273 V CB 2.125 33.588 31.823 -0.599 0.000 1.023 273 V HN 0.513 nan 8.190 nan 0.000 0.435 274 M N 2.266 121.895 119.600 0.049 0.000 2.727 274 M HA 0.847 5.327 4.480 -0.000 0.000 0.300 274 M C 0.199 176.659 176.300 0.266 0.000 1.246 274 M CA -0.081 55.279 55.300 0.100 0.000 0.835 274 M CB 2.292 34.937 32.600 0.076 0.000 1.755 274 M HN 0.958 nan 8.290 nan 0.000 0.473 275 G N 0.844 109.749 108.800 0.175 0.000 2.422 275 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.607 275 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.607 275 G C -3.348 171.641 174.900 0.148 0.000 1.270 275 G CA -1.347 43.859 45.100 0.177 0.000 0.992 275 G HN 0.447 nan 8.290 nan 0.000 0.499 276 P HA 0.420 nan 4.420 nan 0.000 0.267 276 P C -0.561 176.726 177.300 -0.022 0.000 1.205 276 P CA 0.375 63.463 63.100 -0.019 0.000 0.765 276 P CB 0.525 32.284 31.700 0.098 0.000 0.828 277 K N 2.855 123.061 120.400 -0.322 0.000 2.507 277 K HA 0.450 4.770 4.320 -0.000 0.000 0.252 277 K C -1.126 175.173 176.600 -0.502 0.000 0.943 277 K CA -0.515 55.653 56.287 -0.198 0.000 0.808 277 K CB 1.431 33.871 32.500 -0.100 0.000 1.142 277 K HN 0.360 nan 8.250 nan 0.000 0.426 278 Y N 0.363 120.727 120.300 0.108 0.000 2.485 278 Y HA 0.586 5.136 4.550 -0.000 0.000 0.345 278 Y C -0.183 175.764 175.900 0.078 0.000 0.998 278 Y CA -1.131 57.016 58.100 0.078 0.000 1.059 278 Y CB 1.899 40.402 38.460 0.072 0.000 1.234 278 Y HN 0.106 nan 8.280 nan 0.000 0.461 279 V N 2.783 122.823 119.914 0.210 0.000 2.709 279 V HA 0.562 4.682 4.120 -0.000 0.000 0.308 279 V C -1.125 175.056 176.094 0.145 0.000 1.062 279 V CA -0.937 61.465 62.300 0.170 0.000 0.901 279 V CB 2.150 34.062 31.823 0.148 0.000 1.003 279 V HN 0.514 nan 8.190 nan 0.000 0.425 280 V N 5.790 125.770 119.914 0.109 0.000 2.380 280 V HA 0.400 4.520 4.120 -0.000 0.000 0.286 280 V C -2.572 173.450 176.094 -0.119 0.000 1.015 280 V CA -1.847 60.466 62.300 0.022 0.000 0.834 280 V CB 1.825 33.658 31.823 0.017 0.000 1.009 280 V HN 0.735 nan 8.190 nan 0.000 0.428 281 P HA 0.283 nan 4.420 nan 0.000 0.276 281 P C -0.654 176.478 177.300 -0.279 0.000 1.230 281 P CA -0.092 62.712 63.100 -0.493 0.000 0.776 281 P CB 1.059 32.605 31.700 -0.256 0.000 0.888 282 V N 3.664 123.402 119.914 -0.294 0.000 2.435 282 V HA 0.175 4.295 4.120 -0.000 0.000 0.290 282 V C 0.774 176.803 176.094 -0.107 0.000 1.030 282 V CA -0.802 61.413 62.300 -0.143 0.000 0.881 282 V CB 1.142 32.906 31.823 -0.098 0.000 0.983 282 V HN 0.608 nan 8.190 nan 0.000 0.445 283 E N 3.107 123.268 120.200 -0.065 0.000 2.452 283 E HA 0.012 4.362 4.350 -0.000 0.000 0.261 283 E C 0.819 177.403 176.600 -0.027 0.000 0.987 283 E CA 0.417 56.793 56.400 -0.039 0.000 0.926 283 E CB 0.785 30.470 29.700 -0.025 0.000 0.934 283 E HN 0.689 nan 8.360 nan 0.000 0.452 284 S N 2.265 117.956 115.700 -0.015 0.000 2.447 284 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 284 S C 1.014 175.614 174.600 -0.000 0.000 1.006 284 S CA 0.571 58.770 58.200 -0.002 0.000 0.957 284 S CB 0.025 63.231 63.200 0.009 0.000 0.773 284 S HN 0.533 nan 8.310 nan 0.000 0.507 285 S N 0.471 116.169 115.700 -0.003 0.000 2.502 285 S HA 0.553 5.023 4.470 -0.000 0.000 0.304 285 S C -0.476 174.120 174.600 -0.006 0.000 1.097 285 S CA -0.946 57.253 58.200 -0.002 0.000 1.045 285 S CB 0.940 64.140 63.200 0.001 0.000 1.019 285 S HN 0.402 nan 8.310 nan 0.000 0.481 286 L N 4.191 125.410 121.223 -0.007 0.000 2.456 286 L HA 0.362 4.702 4.340 -0.000 0.000 0.272 286 L C 1.270 178.138 176.870 -0.003 0.000 1.189 286 L CA -0.033 54.802 54.840 -0.009 0.000 0.846 286 L CB 0.244 42.297 42.059 -0.010 0.000 1.111 286 L HN 0.955 nan 8.230 nan 0.000 0.475 287 G N 2.610 111.407 108.800 -0.004 0.000 2.572 287 G HA2 0.113 4.073 3.960 -0.000 0.000 0.261 287 G HA3 0.113 4.073 3.960 -0.000 0.000 0.261 287 G C 0.665 175.572 174.900 0.012 0.000 1.197 287 G CA -0.450 44.652 45.100 0.003 0.000 0.870 287 G HN 0.813 nan 8.290 nan 0.000 0.548 288 K N -0.040 120.372 120.400 0.020 0.000 2.034 288 K HA -0.162 4.158 4.320 -0.000 0.000 0.214 288 K C 2.179 178.805 176.600 0.043 0.000 1.051 288 K CA 1.707 58.016 56.287 0.037 0.000 0.931 288 K CB -0.016 32.510 32.500 0.042 0.000 0.715 288 K HN 0.439 nan 8.250 nan 0.000 0.446 289 E N 0.826 121.045 120.200 0.032 0.000 2.072 289 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 289 E C 1.946 178.560 176.600 0.024 0.000 0.985 289 E CA 0.990 57.410 56.400 0.032 0.000 0.801 289 E CB 0.027 29.739 29.700 0.020 0.000 0.750 289 E HN 0.185 nan 8.360 nan 0.000 0.452 290 K N 0.001 120.406 120.400 0.008 0.000 2.155 290 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 290 K C 2.118 178.721 176.600 0.006 0.000 1.052 290 K CA 0.935 57.217 56.287 -0.009 0.000 0.948 290 K CB -0.528 31.953 32.500 -0.031 0.000 0.728 290 K HN 0.189 nan 8.250 nan 0.000 0.448 291 G N 1.456 110.267 108.800 0.020 0.000 2.421 291 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 291 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 291 G C 1.681 176.616 174.900 0.058 0.000 1.171 291 G CA 0.411 45.532 45.100 0.034 0.000 0.775 291 G HN 0.156 nan 8.290 nan 0.000 0.543 292 L N 0.107 121.370 121.223 0.066 0.000 2.079 292 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 292 L C 2.790 179.712 176.870 0.086 0.000 1.081 292 L CA 1.527 56.419 54.840 0.086 0.000 0.752 292 L CB -0.314 41.805 42.059 0.099 0.000 0.896 292 L HN 0.349 nan 8.230 nan 0.000 0.433 293 E N 0.578 120.813 120.200 0.059 0.000 2.110 293 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 293 E C 2.304 178.941 176.600 0.063 0.000 0.988 293 E CA 1.126 57.554 56.400 0.046 0.000 0.804 293 E CB -0.003 29.703 29.700 0.010 0.000 0.745 293 E HN 0.478 nan 8.360 nan 0.000 0.458 294 I N 0.925 121.540 120.570 0.074 0.000 2.179 294 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 294 I C 2.449 178.719 176.117 0.255 0.000 1.088 294 I CA 0.944 62.327 61.300 0.138 0.000 1.357 294 I CB -0.240 37.850 38.000 0.151 0.000 1.051 294 I HN 0.204 nan 8.210 nan 0.000 0.409 295 L N 0.417 121.765 121.223 0.209 0.000 2.012 295 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 295 L C 2.872 179.897 176.870 0.258 0.000 1.073 295 L CA 1.978 56.957 54.840 0.232 0.000 0.748 295 L CB -0.839 41.344 42.059 0.207 0.000 0.891 295 L HN 0.419 nan 8.230 nan 0.000 0.431 296 S N -0.009 115.805 115.700 0.191 0.000 2.383 296 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 296 S C 1.936 176.612 174.600 0.127 0.000 1.030 296 S CA 1.053 59.346 58.200 0.154 0.000 1.002 296 S CB -0.631 62.628 63.200 0.099 0.000 0.829 296 S HN 0.378 nan 8.310 nan 0.000 0.467 297 L N -0.915 120.368 121.223 0.099 0.000 2.109 297 L HA 0.089 4.429 4.340 -0.000 0.000 0.207 297 L C 2.481 179.353 176.870 0.003 0.000 1.086 297 L CA 1.129 55.982 54.840 0.021 0.000 0.760 297 L CB -0.529 41.502 42.059 -0.046 0.000 0.910 297 L HN 0.231 nan 8.230 nan 0.000 0.437 298 F N 0.018 119.989 119.950 0.034 0.000 2.134 298 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 298 F C 2.256 178.070 175.800 0.024 0.000 1.097 298 F CA 1.832 59.841 58.000 0.015 0.000 1.264 298 F CB -0.357 38.636 39.000 -0.011 0.000 1.001 298 F HN -0.061 nan 8.300 nan 0.000 0.479 299 V N -2.536 117.530 119.914 0.253 0.000 3.649 299 V HA 0.201 4.321 4.120 -0.000 0.000 0.275 299 V C 0.623 176.808 176.094 0.151 0.000 1.281 299 V CA 0.549 62.973 62.300 0.207 0.000 1.143 299 V CB -1.081 30.928 31.823 0.310 0.000 0.892 299 V HN 0.541 nan 8.190 nan 0.000 0.441 300 N N 1.309 120.077 118.700 0.113 0.000 2.726 300 N HA -0.193 4.546 4.740 -0.000 0.000 0.253 300 N C -0.404 175.149 175.510 0.071 0.000 1.059 300 N CA 1.481 54.573 53.050 0.070 0.000 0.701 300 N CB -1.290 37.226 38.487 0.049 0.000 0.899 300 N HN 0.925 nan 8.380 nan 0.000 0.548 301 M N -1.592 118.056 119.600 0.080 0.000 2.618 301 M HA 0.441 4.921 4.480 -0.000 0.000 0.281 301 M C -0.067 176.263 176.300 0.049 0.000 1.267 301 M CA -1.118 54.217 55.300 0.058 0.000 0.845 301 M CB 1.618 34.253 32.600 0.058 0.000 1.732 301 M HN -0.128 nan 8.290 nan 0.000 0.461 302 K N 1.000 121.418 120.400 0.031 0.000 2.414 302 K HA 0.113 4.433 4.320 -0.000 0.000 0.272 302 K C 0.658 177.276 176.600 0.030 0.000 0.993 302 K CA -0.121 56.182 56.287 0.026 0.000 0.964 302 K CB 0.899 33.409 32.500 0.016 0.000 0.925 302 K HN 0.593 nan 8.250 nan 0.000 0.487 303 K N 1.540 121.961 120.400 0.035 0.000 2.044 303 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 303 K C 1.839 178.464 176.600 0.042 0.000 1.049 303 K CA 1.800 58.114 56.287 0.045 0.000 0.927 303 K CB -0.147 32.382 32.500 0.048 0.000 0.713 303 K HN 0.728 nan 8.250 nan 0.000 0.443 304 A N 0.959 123.796 122.820 0.028 0.000 2.172 304 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 304 A C 0.942 178.529 177.584 0.005 0.000 1.154 304 A CA 1.459 53.509 52.037 0.021 0.000 0.701 304 A CB -0.039 18.967 19.000 0.009 0.000 0.789 304 A HN 0.265 nan 8.150 nan 0.000 0.465 305 D N -0.530 119.866 120.400 -0.007 0.000 2.340 305 D HA 0.206 4.846 4.640 -0.000 0.000 0.217 305 D C 0.245 176.494 176.300 -0.086 0.000 1.081 305 D CA -0.022 53.958 54.000 -0.034 0.000 0.842 305 D CB 0.073 40.860 40.800 -0.022 0.000 0.934 305 D HN 0.367 nan 8.370 nan 0.000 0.511 306 L N 2.489 123.656 121.223 -0.094 0.000 2.461 306 L HA 0.162 4.502 4.340 -0.000 0.000 0.272 306 L C -1.593 175.068 176.870 -0.347 0.000 1.197 306 L CA -1.315 53.372 54.840 -0.255 0.000 0.836 306 L CB 0.059 41.992 42.059 -0.209 0.000 1.105 306 L HN -0.149 nan 8.230 nan 0.000 0.477 307 P HA 0.047 nan 4.420 nan 0.000 0.273 307 P C 0.119 177.199 177.300 -0.368 0.000 1.250 307 P CA -0.335 62.447 63.100 -0.529 0.000 0.793 307 P CB 0.646 31.861 31.700 -0.808 0.000 1.011 308 E N -0.154 119.967 120.200 -0.131 0.000 2.153 308 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 308 E C 1.823 178.445 176.600 0.036 0.000 0.988 308 E CA 1.262 57.709 56.400 0.079 0.000 0.811 308 E CB -0.073 29.666 29.700 0.064 0.000 0.746 308 E HN 0.466 nan 8.360 nan 0.000 0.466 309 Q N 0.167 119.942 119.800 -0.041 0.000 2.226 309 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 309 Q C 1.965 177.997 176.000 0.052 0.000 0.975 309 Q CA 1.286 57.134 55.803 0.075 0.000 0.866 309 Q CB -0.177 28.700 28.738 0.232 0.000 0.915 309 Q HN 0.264 nan 8.270 nan 0.000 0.440 310 A N 0.272 122.984 122.820 -0.180 0.000 1.940 310 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 310 A C 1.479 178.935 177.584 -0.213 0.000 1.176 310 A CA 1.889 53.851 52.037 -0.125 0.000 0.631 310 A CB -0.771 18.003 19.000 -0.377 0.000 0.814 310 A HN 0.560 nan 8.150 nan 0.000 0.446 311 H N -0.916 118.200 119.070 0.076 0.000 2.395 311 H HA 0.029 4.585 4.556 -0.000 0.000 0.299 311 H C 2.454 177.813 175.328 0.052 0.000 1.070 311 H CA 1.199 57.278 56.048 0.050 0.000 1.356 311 H CB -0.112 29.663 29.762 0.023 0.000 1.401 311 H HN 0.427 nan 8.280 nan 0.000 0.524 312 S N 0.364 116.141 115.700 0.129 0.000 2.368 312 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 312 S C 2.141 176.780 174.600 0.066 0.000 1.029 312 S CA 1.001 59.255 58.200 0.090 0.000 0.988 312 S CB -0.148 63.104 63.200 0.086 0.000 0.838 312 S HN 0.279 nan 8.310 nan 0.000 0.462 313 I N 1.309 121.921 120.570 0.070 0.000 2.226 313 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 313 I C 1.928 178.061 176.117 0.028 0.000 1.100 313 I CA 0.819 62.148 61.300 0.049 0.000 1.374 313 I CB -0.323 37.722 38.000 0.075 0.000 1.057 313 I HN 0.247 nan 8.210 nan 0.000 0.413 314 I N 0.916 121.512 120.570 0.043 0.000 2.179 314 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 314 I C 2.509 178.644 176.117 0.030 0.000 1.088 314 I CA 1.547 62.869 61.300 0.037 0.000 1.357 314 I CB -1.263 36.773 38.000 0.059 0.000 1.051 314 I HN 0.290 nan 8.210 nan 0.000 0.409 315 K N 0.750 121.175 120.400 0.041 0.000 2.074 315 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 315 K C 1.802 178.411 176.600 0.014 0.000 1.048 315 K CA 1.410 57.715 56.287 0.031 0.000 0.926 315 K CB 0.087 32.611 32.500 0.040 0.000 0.713 315 K HN 0.225 nan 8.250 nan 0.000 0.444 316 E N 0.179 120.386 120.200 0.011 0.000 2.268 316 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 316 E C 1.966 178.555 176.600 -0.017 0.000 0.995 316 E CA 0.697 57.095 56.400 -0.004 0.000 0.836 316 E CB -0.369 29.328 29.700 -0.006 0.000 0.763 316 E HN 0.382 nan 8.360 nan 0.000 0.491 317 C N 0.724 120.014 119.300 -0.017 0.000 2.500 317 C HA 0.063 4.523 4.460 -0.000 0.000 0.273 317 C C 0.806 175.784 174.990 -0.019 0.000 1.428 317 C CA -0.354 58.647 59.018 -0.028 0.000 1.766 317 C CB -0.410 27.311 27.740 -0.032 0.000 1.817 317 C HN 0.349 nan 8.230 nan 0.000 0.543 318 K N -0.234 120.161 120.400 -0.009 0.000 3.071 318 K HA -0.221 4.099 4.320 -0.000 0.000 0.265 318 K C 0.975 177.574 176.600 -0.002 0.000 1.060 318 K CA 0.837 57.121 56.287 -0.005 0.000 0.767 318 K CB -2.163 30.332 32.500 -0.010 0.000 1.241 318 K HN 0.928 nan 8.250 nan 0.000 0.486 319 G N -0.408 108.391 108.800 -0.002 0.000 2.189 319 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.267 319 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.267 319 G C 0.062 174.957 174.900 -0.008 0.000 0.975 319 G CA 0.727 45.825 45.100 -0.002 0.000 0.644 319 G HN 0.679 nan 8.290 nan 0.000 0.537 320 S N 1.569 117.260 115.700 -0.015 0.000 2.448 320 S HA 0.515 4.985 4.470 -0.000 0.000 0.279 320 S C 0.052 174.633 174.600 -0.031 0.000 1.195 320 S CA -0.653 57.530 58.200 -0.028 0.000 1.051 320 S CB 1.262 64.439 63.200 -0.037 0.000 0.948 320 S HN 0.179 nan 8.310 nan 0.000 0.493 321 P HA -0.099 nan 4.420 nan 0.000 0.220 321 P C 1.507 178.807 177.300 -0.001 0.000 1.148 321 P CA 0.395 63.493 63.100 -0.003 0.000 0.803 321 P CB 0.083 31.788 31.700 0.008 0.000 0.782 322 L N 0.044 121.240 121.223 -0.045 0.000 2.027 322 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 322 L C 2.374 179.202 176.870 -0.070 0.000 1.074 322 L CA 1.734 56.545 54.840 -0.049 0.000 0.745 322 L CB -1.269 40.701 42.059 -0.148 0.000 0.898 322 L HN -0.231 nan 8.230 nan 0.000 0.433 323 V N -1.104 118.757 119.914 -0.089 0.000 2.295 323 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 323 V C 2.530 178.549 176.094 -0.125 0.000 1.049 323 V CA 1.660 63.893 62.300 -0.112 0.000 1.024 323 V CB -0.682 31.088 31.823 -0.089 0.000 0.648 323 V HN 0.340 nan 8.190 nan 0.000 0.447 324 V N 0.015 119.879 119.914 -0.084 0.000 2.324 324 V HA -0.287 3.833 4.120 -0.000 0.000 0.250 324 V C 2.563 178.571 176.094 -0.142 0.000 1.060 324 V CA 2.462 64.713 62.300 -0.081 0.000 1.042 324 V CB -0.886 30.928 31.823 -0.015 0.000 0.650 324 V HN 0.548 nan 8.190 nan 0.000 0.450 325 S N -0.204 115.440 115.700 -0.092 0.000 2.368 325 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 325 S C 1.900 176.220 174.600 -0.467 0.000 1.029 325 S CA 1.355 59.466 58.200 -0.149 0.000 0.988 325 S CB -0.334 62.957 63.200 0.152 0.000 0.838 325 S HN 0.468 nan 8.310 nan 0.000 0.462 326 L N 1.095 122.140 121.223 -0.297 0.000 2.012 326 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 326 L C 2.161 178.779 176.870 -0.421 0.000 1.073 326 L CA 0.905 55.548 54.840 -0.328 0.000 0.748 326 L CB -0.561 41.344 42.059 -0.257 0.000 0.891 326 L HN 0.303 nan 8.230 nan 0.000 0.431 327 I N -0.076 120.254 120.570 -0.399 0.000 2.286 327 I HA -0.134 4.035 4.170 -0.000 0.000 0.245 327 I C 2.697 178.503 176.117 -0.519 0.000 1.104 327 I CA 1.607 62.652 61.300 -0.425 0.000 1.397 327 I CB -2.005 35.810 38.000 -0.308 0.000 1.072 327 I HN 0.234 nan 8.210 nan 0.000 0.417 328 G N 0.848 109.286 108.800 -0.604 0.000 2.440 328 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 328 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 328 G C 1.855 176.246 174.900 -0.849 0.000 1.154 328 G CA 1.101 45.779 45.100 -0.703 0.000 0.767 328 G HN 0.488 nan 8.290 nan 0.000 0.552 329 A N 0.453 122.584 122.820 -1.147 0.000 1.898 329 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 329 A C 2.442 179.850 177.584 -0.293 0.000 1.181 329 A CA 1.197 52.891 52.037 -0.571 0.000 0.620 329 A CB -0.423 18.324 19.000 -0.422 0.000 0.819 329 A HN 0.349 nan 8.150 nan 0.000 0.442 330 L N -0.708 120.308 121.223 -0.345 0.000 2.042 330 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 330 L C 2.585 179.357 176.870 -0.163 0.000 1.076 330 L CA 1.306 56.001 54.840 -0.242 0.000 0.749 330 L CB -0.474 41.233 42.059 -0.588 0.000 0.893 330 L HN 0.399 nan 8.230 nan 0.000 0.432 331 L N -0.884 120.139 121.223 -0.333 0.000 2.093 331 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 331 L C 2.801 179.587 176.870 -0.139 0.000 1.085 331 L CA 1.033 55.675 54.840 -0.330 0.000 0.755 331 L CB -0.535 41.096 42.059 -0.712 0.000 0.904 331 L HN 0.246 nan 8.230 nan 0.000 0.435 332 R N 0.281 120.725 120.500 -0.093 0.000 2.081 332 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 332 R C 1.625 177.877 176.300 -0.079 0.000 1.131 332 R CA 1.980 58.075 56.100 -0.008 0.000 0.960 332 R CB -0.164 30.184 30.300 0.081 0.000 0.856 332 R HN 0.330 nan 8.270 nan 0.000 0.436 333 D N -0.728 119.575 120.400 -0.162 0.000 2.234 333 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 333 D C -0.194 175.653 176.300 -0.754 0.000 0.962 333 D CA 1.025 54.757 54.000 -0.447 0.000 0.855 333 D CB 0.203 40.677 40.800 -0.545 0.000 0.951 333 D HN 0.166 nan 8.370 nan 0.000 0.500 334 F N -0.606 119.353 119.950 0.015 0.000 2.769 334 F HA 0.287 4.814 4.527 -0.000 0.000 0.358 334 F C -1.889 173.950 175.800 0.065 0.000 1.285 334 F CA -1.744 56.298 58.000 0.071 0.000 1.199 334 F CB 1.903 41.016 39.000 0.188 0.000 1.558 334 F HN -0.223 nan 8.300 nan 0.000 0.583 335 P HA -0.078 nan 4.420 nan 0.000 0.222 335 P C 0.389 177.828 177.300 0.233 0.000 1.147 335 P CA 1.234 64.419 63.100 0.142 0.000 0.790 335 P CB 0.298 32.066 31.700 0.113 0.000 0.780 336 N N -0.413 118.410 118.700 0.206 0.000 2.535 336 N HA 0.156 4.896 4.740 -0.000 0.000 0.294 336 N C 0.287 175.926 175.510 0.216 0.000 1.408 336 N CA -0.022 53.178 53.050 0.251 0.000 0.927 336 N CB 0.465 39.047 38.487 0.157 0.000 1.276 336 N HN 0.131 nan 8.380 nan 0.000 0.505 337 R N -0.892 119.719 120.500 0.185 0.000 2.662 337 R HA 0.150 4.490 4.340 -0.000 0.000 0.396 337 R C 0.522 176.887 176.300 0.109 0.000 1.096 337 R CA -0.329 55.811 56.100 0.066 0.000 1.081 337 R CB 0.109 30.346 30.300 -0.106 0.000 1.382 337 R HN 0.197 nan 8.270 nan 0.000 0.580 338 W N 1.713 123.084 121.300 0.119 0.000 2.338 338 W HA -0.170 4.490 4.660 -0.000 0.000 0.304 338 W C 2.195 178.758 176.519 0.073 0.000 1.212 338 W CA 1.399 58.810 57.345 0.111 0.000 1.264 338 W CB -0.053 29.444 29.460 0.061 0.000 1.142 338 W HN 0.286 nan 8.180 nan 0.000 0.512 339 E N -0.877 119.490 120.200 0.278 0.000 2.047 339 E HA -0.292 4.058 4.350 -0.000 0.000 0.191 339 E C 2.106 178.758 176.600 0.087 0.000 0.987 339 E CA 1.406 57.901 56.400 0.158 0.000 0.799 339 E CB -0.587 29.189 29.700 0.126 0.000 0.752 339 E HN 0.337 nan 8.360 nan 0.000 0.449 340 Y N 0.121 120.371 120.300 -0.083 0.000 2.128 340 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 340 Y C 1.740 177.523 175.900 -0.194 0.000 1.154 340 Y CA 2.030 60.001 58.100 -0.216 0.000 1.149 340 Y CB -0.483 37.731 38.460 -0.411 0.000 0.976 340 Y HN 0.146 nan 8.280 nan 0.000 0.505 341 Y N -0.953 119.238 120.300 -0.181 0.000 2.337 341 Y HA -0.113 4.437 4.550 -0.000 0.000 0.293 341 Y C 2.263 178.045 175.900 -0.197 0.000 1.123 341 Y CA 0.920 58.852 58.100 -0.280 0.000 1.201 341 Y CB -1.044 37.302 38.460 -0.191 0.000 1.011 341 Y HN 0.256 nan 8.280 nan 0.000 0.545 342 L N 0.795 122.050 121.223 0.054 0.000 2.012 342 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 342 L C 2.024 178.882 176.870 -0.020 0.000 1.073 342 L CA 1.932 56.793 54.840 0.035 0.000 0.748 342 L CB -0.681 41.428 42.059 0.083 0.000 0.891 342 L HN 0.040 nan 8.230 nan 0.000 0.431 343 K N -1.210 119.154 120.400 -0.061 0.000 2.026 343 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 343 K C 2.122 178.655 176.600 -0.113 0.000 1.048 343 K CA 1.465 57.705 56.287 -0.079 0.000 0.929 343 K CB -0.178 32.274 32.500 -0.080 0.000 0.713 343 K HN 0.285 nan 8.250 nan 0.000 0.439 344 Q N 0.825 120.499 119.800 -0.210 0.000 2.112 344 Q HA -0.120 4.220 4.340 -0.000 0.000 0.206 344 Q C 2.039 177.993 176.000 -0.076 0.000 0.987 344 Q CA 1.394 57.093 55.803 -0.174 0.000 0.858 344 Q CB -0.340 28.251 28.738 -0.244 0.000 0.905 344 Q HN 0.320 nan 8.270 nan 0.000 0.420 345 L N -0.121 121.065 121.223 -0.063 0.000 2.093 345 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 345 L C 2.300 179.158 176.870 -0.020 0.000 1.085 345 L CA 1.167 55.984 54.840 -0.039 0.000 0.755 345 L CB -0.216 41.819 42.059 -0.039 0.000 0.904 345 L HN 0.317 nan 8.230 nan 0.000 0.435 346 Q N -0.561 119.227 119.800 -0.019 0.000 2.187 346 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 346 Q C 0.954 176.953 176.000 -0.001 0.000 0.957 346 Q CA 0.624 56.423 55.803 -0.006 0.000 0.857 346 Q CB 0.012 28.749 28.738 -0.002 0.000 0.929 346 Q HN 0.431 nan 8.270 nan 0.000 0.453 347 N N 1.233 119.928 118.700 -0.008 0.000 2.949 347 N HA 0.074 4.814 4.740 -0.000 0.000 0.243 347 N C -1.205 174.318 175.510 0.021 0.000 1.113 347 N CA -0.054 52.999 53.050 0.004 0.000 0.980 347 N CB 0.426 38.910 38.487 -0.005 0.000 1.256 347 N HN -0.062 nan 8.380 nan 0.000 0.508 348 K N 2.023 122.446 120.400 0.039 0.000 2.349 348 K HA 0.064 4.384 4.320 -0.000 0.000 0.289 348 K C 0.736 177.398 176.600 0.103 0.000 1.064 348 K CA 0.080 56.412 56.287 0.076 0.000 0.947 348 K CB 1.172 33.722 32.500 0.083 0.000 1.007 348 K HN 0.554 nan 8.250 nan 0.000 0.478 349 Q N 1.913 121.792 119.800 0.131 0.000 2.317 349 Q HA 0.090 4.430 4.340 -0.000 0.000 0.220 349 Q C -0.314 175.783 176.000 0.162 0.000 0.873 349 Q CA -0.227 55.649 55.803 0.121 0.000 0.936 349 Q CB 0.368 29.163 28.738 0.094 0.000 1.105 349 Q HN 0.493 nan 8.270 nan 0.000 0.520 350 F N 2.230 122.244 119.950 0.106 0.000 2.471 350 F HA 0.102 4.629 4.527 -0.000 0.000 0.353 350 F C -0.030 175.840 175.800 0.116 0.000 1.113 350 F CA -0.033 58.045 58.000 0.130 0.000 1.262 350 F CB 0.652 39.776 39.000 0.208 0.000 1.146 350 F HN -0.355 nan 8.300 nan 0.000 0.578 351 K N 6.404 126.427 120.400 -0.628 0.000 2.414 351 K HA 0.235 4.555 4.320 -0.000 0.000 0.251 351 K C -0.304 176.051 176.600 -0.410 0.000 1.037 351 K CA -0.599 55.472 56.287 -0.360 0.000 0.980 351 K CB 0.866 33.187 32.500 -0.298 0.000 1.280 351 K HN 0.560 nan 8.250 nan 0.000 0.451 352 R N 2.549 122.961 120.500 -0.147 0.000 2.538 352 R HA 0.100 4.440 4.340 -0.000 0.000 0.282 352 R C 1.164 177.365 176.300 -0.165 0.000 1.009 352 R CA 0.243 56.215 56.100 -0.213 0.000 1.063 352 R CB 0.355 30.309 30.300 -0.577 0.000 0.945 352 R HN 0.580 nan 8.270 nan 0.000 0.414 353 I N 1.685 122.172 120.570 -0.139 0.000 2.900 353 I HA 0.037 4.207 4.170 -0.000 0.000 0.251 353 I C 1.453 177.526 176.117 -0.073 0.000 1.102 353 I CA 0.090 61.333 61.300 -0.095 0.000 1.457 353 I CB -0.041 37.908 38.000 -0.086 0.000 1.285 353 I HN 0.350 nan 8.210 nan 0.000 0.459 354 R N 3.458 123.916 120.500 -0.069 0.000 3.641 354 R HA 0.013 4.353 4.340 -0.000 0.000 0.189 354 R C -0.468 175.781 176.300 -0.085 0.000 1.706 354 R CA 0.035 56.105 56.100 -0.050 0.000 1.311 354 R CB -0.226 30.061 30.300 -0.021 0.000 1.330 354 R HN 0.172 nan 8.270 nan 0.000 0.727 355 K N 1.968 122.323 120.400 -0.075 0.000 2.079 355 K HA 0.017 4.337 4.320 -0.000 0.000 0.255 355 K C -0.185 176.408 176.600 -0.011 0.000 1.114 355 K CA 0.202 56.447 56.287 -0.071 0.000 1.056 355 K CB 0.628 33.131 32.500 0.005 0.000 1.176 355 K HN 0.289 nan 8.250 nan 0.000 0.353 356 S N 0.109 115.782 115.700 -0.046 0.000 2.677 356 S HA 0.314 4.784 4.470 -0.000 0.000 0.290 356 S C 1.203 175.781 174.600 -0.038 0.000 1.124 356 S CA -0.625 57.558 58.200 -0.028 0.000 1.017 356 S CB 1.075 64.257 63.200 -0.031 0.000 1.215 356 S HN 0.624 nan 8.310 nan 0.000 0.524 357 S N 0.685 116.369 115.700 -0.026 0.000 2.566 357 S HA 0.091 4.561 4.470 -0.000 0.000 0.166 357 S C 1.891 176.494 174.600 0.006 0.000 0.811 357 S CA 0.659 58.867 58.200 0.014 0.000 0.940 357 S CB -1.397 61.846 63.200 0.071 0.000 0.768 357 S HN 0.620 nan 8.310 nan 0.000 0.534 358 S N 1.286 117.064 115.700 0.129 0.000 2.468 358 S HA -0.206 4.264 4.470 -0.000 0.000 0.261 358 S C 0.419 175.169 174.600 0.251 0.000 1.127 358 S CA 2.038 60.375 58.200 0.228 0.000 1.092 358 S CB -0.942 62.494 63.200 0.393 0.000 0.945 358 S HN 0.799 nan 8.310 nan 0.000 0.463 359 Y N -1.550 118.824 120.300 0.123 0.000 2.644 359 Y HA 0.752 5.302 4.550 -0.000 0.000 0.338 359 Y C -1.267 174.707 175.900 0.123 0.000 1.119 359 Y CA -1.979 56.184 58.100 0.105 0.000 1.060 359 Y CB 0.252 38.780 38.460 0.115 0.000 1.294 359 Y HN -0.215 nan 8.280 nan 0.000 0.472 360 D N 1.309 121.766 120.400 0.094 0.000 2.347 360 D HA 0.164 4.804 4.640 -0.000 0.000 0.235 360 D C 0.172 176.509 176.300 0.061 0.000 1.149 360 D CA -0.217 53.752 54.000 -0.052 0.000 0.850 360 D CB 0.356 41.113 40.800 -0.070 0.000 1.061 360 D HN 0.649 nan 8.370 nan 0.000 0.487 361 Y N 1.489 121.813 120.300 0.041 0.000 2.457 361 Y HA 0.101 4.651 4.550 -0.000 0.000 0.292 361 Y C 1.529 177.523 175.900 0.156 0.000 1.125 361 Y CA 0.381 58.616 58.100 0.224 0.000 1.254 361 Y CB -0.433 38.112 38.460 0.141 0.000 1.012 361 Y HN 0.281 nan 8.280 nan 0.000 0.555 362 E N 1.451 121.254 120.200 -0.662 0.000 2.086 362 E HA -0.323 4.027 4.350 -0.000 0.000 0.205 362 E C 2.392 178.979 176.600 -0.023 0.000 1.027 362 E CA 1.799 57.986 56.400 -0.356 0.000 0.830 362 E CB -0.359 29.100 29.700 -0.402 0.000 0.751 362 E HN 0.668 nan 8.360 nan 0.000 0.456 363 A N 0.983 123.777 122.820 -0.044 0.000 1.898 363 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 363 A C 2.188 179.751 177.584 -0.034 0.000 1.183 363 A CA 0.864 52.883 52.037 -0.030 0.000 0.622 363 A CB -0.499 18.479 19.000 -0.037 0.000 0.824 363 A HN 0.213 nan 8.150 nan 0.000 0.444 364 L N 0.171 121.396 121.223 0.004 0.000 2.012 364 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 364 L C 1.725 178.519 176.870 -0.126 0.000 1.073 364 L CA 2.639 57.456 54.840 -0.039 0.000 0.748 364 L CB -0.595 41.489 42.059 0.041 0.000 0.891 364 L HN 0.316 nan 8.230 nan 0.000 0.431 365 D N -0.521 119.883 120.400 0.007 0.000 2.104 365 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 365 D C 2.149 178.281 176.300 -0.281 0.000 0.994 365 D CA 1.421 55.347 54.000 -0.124 0.000 0.830 365 D CB -0.026 40.878 40.800 0.173 0.000 0.959 365 D HN 0.406 nan 8.370 nan 0.000 0.452 366 E N 0.306 120.458 120.200 -0.080 0.000 2.072 366 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 366 E C 1.900 178.406 176.600 -0.156 0.000 0.985 366 E CA 1.234 57.603 56.400 -0.051 0.000 0.801 366 E CB -0.363 29.343 29.700 0.011 0.000 0.750 366 E HN 0.179 nan 8.360 nan 0.000 0.452 367 A N 0.434 123.134 122.820 -0.200 0.000 1.877 367 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 367 A C 2.170 179.546 177.584 -0.346 0.000 1.186 367 A CA 1.895 53.782 52.037 -0.249 0.000 0.620 367 A CB -0.493 18.371 19.000 -0.226 0.000 0.822 367 A HN 0.245 nan 8.150 nan 0.000 0.443 368 M N -0.454 118.829 119.600 -0.528 0.000 2.117 368 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 368 M C 2.502 178.426 176.300 -0.626 0.000 1.065 368 M CA 1.918 56.737 55.300 -0.803 0.000 1.114 368 M CB -1.472 30.112 32.600 -1.694 0.000 1.361 368 M HN 0.530 nan 8.290 nan 0.000 0.408 369 S N 0.424 115.838 115.700 -0.476 0.000 2.368 369 S HA -0.071 4.399 4.470 -0.000 0.000 0.225 369 S C 1.902 176.506 174.600 0.006 0.000 1.030 369 S CA 0.973 59.178 58.200 0.008 0.000 0.999 369 S CB -0.139 63.155 63.200 0.156 0.000 0.844 369 S HN 0.403 nan 8.310 nan 0.000 0.459 370 I N 0.564 121.089 120.570 -0.075 0.000 2.202 370 I HA -0.108 4.062 4.170 -0.000 0.000 0.242 370 I C 2.752 178.800 176.117 -0.115 0.000 1.091 370 I CA 1.193 62.452 61.300 -0.068 0.000 1.368 370 I CB -0.559 37.373 38.000 -0.113 0.000 1.058 370 I HN 0.311 nan 8.210 nan 0.000 0.410 371 S N 0.515 116.101 115.700 -0.189 0.000 2.359 371 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 371 S C 2.131 176.653 174.600 -0.130 0.000 1.035 371 S CA 1.504 59.590 58.200 -0.191 0.000 1.018 371 S CB -0.245 62.806 63.200 -0.249 0.000 0.876 371 S HN 0.220 nan 8.310 nan 0.000 0.448 372 V N 1.690 121.535 119.914 -0.114 0.000 2.343 372 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 372 V C 2.576 178.683 176.094 0.021 0.000 1.051 372 V CA 2.234 64.509 62.300 -0.042 0.000 1.036 372 V CB -0.871 31.027 31.823 0.125 0.000 0.654 372 V HN 0.516 nan 8.190 nan 0.000 0.451 373 E N 0.046 120.266 120.200 0.033 0.000 2.160 373 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 373 E C 1.890 178.498 176.600 0.013 0.000 0.991 373 E CA 1.389 57.814 56.400 0.041 0.000 0.810 373 E CB -0.175 29.558 29.700 0.054 0.000 0.742 373 E HN 0.384 nan 8.360 nan 0.000 0.466 374 M N 0.175 119.765 119.600 -0.017 0.000 2.561 374 M HA 0.152 4.632 4.480 -0.000 0.000 0.238 374 M C 0.094 176.462 176.300 0.114 0.000 1.131 374 M CA 0.061 55.341 55.300 -0.033 0.000 1.046 374 M CB -0.523 31.961 32.600 -0.193 0.000 1.532 374 M HN 0.036 nan 8.290 nan 0.000 0.497 375 L N 2.468 123.739 121.223 0.081 0.000 2.499 375 L HA 0.008 4.348 4.340 -0.000 0.000 0.273 375 L C 1.104 178.037 176.870 0.105 0.000 1.195 375 L CA -0.063 54.841 54.840 0.107 0.000 0.882 375 L CB 0.066 42.185 42.059 0.101 0.000 1.133 375 L HN 0.362 nan 8.230 nan 0.000 0.483 376 R N 2.660 123.223 120.500 0.104 0.000 2.698 376 R HA -0.002 4.338 4.340 -0.000 0.000 0.266 376 R C 0.487 176.819 176.300 0.052 0.000 1.026 376 R CA -0.543 55.602 56.100 0.074 0.000 1.102 376 R CB 0.597 30.926 30.300 0.048 0.000 0.978 376 R HN 0.510 nan 8.270 nan 0.000 0.436 377 E N 1.656 121.874 120.200 0.031 0.000 2.153 377 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 377 E C 0.756 177.346 176.600 -0.018 0.000 0.988 377 E CA 1.804 58.210 56.400 0.010 0.000 0.811 377 E CB -0.162 29.539 29.700 0.001 0.000 0.746 377 E HN 0.815 nan 8.360 nan 0.000 0.466 378 D N -0.286 120.104 120.400 -0.017 0.000 2.328 378 D HA -0.052 4.588 4.640 -0.000 0.000 0.226 378 D C 1.699 177.969 176.300 -0.049 0.000 1.066 378 D CA 0.144 54.113 54.000 -0.053 0.000 0.861 378 D CB -0.455 40.328 40.800 -0.029 0.000 0.912 378 D HN 0.403 nan 8.370 nan 0.000 0.521 379 I N -4.365 116.224 120.570 0.031 0.000 4.154 379 I HA 0.293 4.463 4.170 -0.000 0.000 0.334 379 I C 1.523 177.763 176.117 0.205 0.000 1.371 379 I CA -0.658 60.745 61.300 0.171 0.000 1.110 379 I CB 0.285 38.408 38.000 0.205 0.000 1.085 379 I HN -0.256 nan 8.210 nan 0.000 0.398 380 K N 1.748 122.200 120.400 0.087 0.000 2.063 380 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 380 K C 1.310 177.942 176.600 0.054 0.000 1.048 380 K CA 2.255 58.597 56.287 0.092 0.000 0.928 380 K CB -0.102 32.427 32.500 0.048 0.000 0.713 380 K HN 0.392 nan 8.250 nan 0.000 0.442 381 D N -0.290 120.055 120.400 -0.091 0.000 2.144 381 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 381 D C 1.871 178.112 176.300 -0.097 0.000 0.978 381 D CA 1.099 55.018 54.000 -0.135 0.000 0.833 381 D CB -0.247 40.407 40.800 -0.243 0.000 0.961 381 D HN 0.183 nan 8.370 nan 0.000 0.470 382 Y N -0.057 120.193 120.300 -0.084 0.000 2.165 382 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 382 Y C 2.336 178.305 175.900 0.116 0.000 1.155 382 Y CA 0.591 58.564 58.100 -0.213 0.000 1.164 382 Y CB -1.032 37.066 38.460 -0.603 0.000 0.978 382 Y HN 0.077 nan 8.280 nan 0.000 0.513 383 Y N 0.623 120.953 120.300 0.050 0.000 2.200 383 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 383 Y C 2.472 178.331 175.900 -0.070 0.000 1.137 383 Y CA 1.884 59.810 58.100 -0.290 0.000 1.163 383 Y CB -0.689 37.424 38.460 -0.579 0.000 0.988 383 Y HN 0.074 nan 8.280 nan 0.000 0.518 384 T N 0.158 114.717 114.554 0.010 0.000 2.720 384 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 384 T C 1.378 176.057 174.700 -0.034 0.000 1.037 384 T CA 1.697 63.778 62.100 -0.031 0.000 1.144 384 T CB -0.407 68.474 68.868 0.021 0.000 0.864 384 T HN 0.339 nan 8.240 nan 0.000 0.444 385 D N 1.144 121.600 120.400 0.094 0.000 2.190 385 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 385 D C 1.850 178.179 176.300 0.049 0.000 0.992 385 D CA 0.682 54.782 54.000 0.167 0.000 0.854 385 D CB -0.353 40.766 40.800 0.531 0.000 0.936 385 D HN 0.361 nan 8.370 nan 0.000 0.462 386 L N 0.519 121.726 121.223 -0.026 0.000 2.549 386 L HA -0.055 4.285 4.340 -0.000 0.000 0.229 386 L C 2.047 178.825 176.870 -0.153 0.000 1.158 386 L CA 0.228 54.994 54.840 -0.123 0.000 0.842 386 L CB -0.261 41.647 42.059 -0.252 0.000 0.952 386 L HN -0.095 nan 8.230 nan 0.000 0.452 387 S N 0.938 116.546 115.700 -0.153 0.000 2.440 387 S HA -0.140 4.330 4.470 -0.000 0.000 0.238 387 S C 1.805 176.372 174.600 -0.055 0.000 1.010 387 S CA 1.288 59.429 58.200 -0.099 0.000 0.972 387 S CB -0.277 62.871 63.200 -0.088 0.000 0.774 387 S HN 0.632 nan 8.310 nan 0.000 0.501 388 I N -1.332 119.186 120.570 -0.087 0.000 3.578 388 I HA 0.220 4.390 4.170 -0.000 0.000 0.295 388 I C 0.103 176.300 176.117 0.134 0.000 1.280 388 I CA -0.013 61.243 61.300 -0.073 0.000 1.347 388 I CB -0.277 37.559 38.000 -0.272 0.000 1.051 388 I HN 0.035 nan 8.210 nan 0.000 0.460 389 L N 2.418 123.678 121.223 0.061 0.000 2.453 389 L HA 0.192 4.532 4.340 -0.000 0.000 0.272 389 L C 0.139 177.045 176.870 0.060 0.000 1.182 389 L CA 0.402 55.284 54.840 0.069 0.000 0.858 389 L CB 0.536 42.626 42.059 0.051 0.000 1.120 389 L HN 0.374 nan 8.230 nan 0.000 0.474 390 Q N 2.317 122.107 119.800 -0.017 0.000 2.193 390 Q HA 0.347 4.687 4.340 -0.000 0.000 0.246 390 Q C -0.711 175.265 176.000 -0.041 0.000 0.959 390 Q CA -0.891 54.868 55.803 -0.073 0.000 0.904 390 Q CB 1.685 30.239 28.738 -0.307 0.000 1.238 390 Q HN 0.396 nan 8.270 nan 0.000 0.469 391 K N 1.593 121.973 120.400 -0.033 0.000 2.382 391 K HA -0.038 4.282 4.320 -0.000 0.000 0.275 391 K C -0.607 175.962 176.600 -0.051 0.000 1.009 391 K CA 0.185 56.462 56.287 -0.017 0.000 0.970 391 K CB 0.323 32.809 32.500 -0.025 0.000 0.934 391 K HN 0.603 nan 8.250 nan 0.000 0.479 392 D N -0.199 120.185 120.400 -0.027 0.000 2.837 392 D HA -0.151 4.488 4.640 -0.000 0.000 0.230 392 D C -0.943 175.330 176.300 -0.044 0.000 1.152 392 D CA 0.707 54.679 54.000 -0.047 0.000 0.736 392 D CB -1.124 39.640 40.800 -0.060 0.000 1.084 392 D HN 0.093 nan 8.370 nan 0.000 0.429 393 V N 0.663 120.561 119.914 -0.028 0.000 2.483 393 V HA 0.228 4.347 4.120 -0.000 0.000 0.297 393 V C 0.297 176.436 176.094 0.074 0.000 1.027 393 V CA -0.762 61.532 62.300 -0.010 0.000 0.855 393 V CB 2.289 34.009 31.823 -0.171 0.000 0.995 393 V HN -0.068 nan 8.190 nan 0.000 0.424 394 K N 3.935 124.385 120.400 0.083 0.000 2.264 394 K HA 0.604 4.924 4.320 -0.000 0.000 0.277 394 K C -0.879 175.818 176.600 0.162 0.000 1.067 394 K CA -0.467 55.901 56.287 0.135 0.000 0.900 394 K CB 1.907 34.422 32.500 0.026 0.000 1.124 394 K HN 0.441 nan 8.250 nan 0.000 0.469 395 V N 5.914 125.939 119.914 0.184 0.000 2.407 395 V HA 0.246 4.366 4.120 -0.000 0.000 0.278 395 V C -1.867 174.293 176.094 0.110 0.000 1.037 395 V CA -2.074 60.285 62.300 0.099 0.000 0.900 395 V CB 1.141 32.958 31.823 -0.011 0.000 0.983 395 V HN 0.685 nan 8.190 nan 0.000 0.459 396 P HA 0.166 nan 4.420 nan 0.000 0.274 396 P C 0.880 178.235 177.300 0.092 0.000 1.237 396 P CA -0.113 63.036 63.100 0.082 0.000 0.793 396 P CB 0.748 32.473 31.700 0.042 0.000 0.977 397 T N 0.716 115.393 114.554 0.206 0.000 2.685 397 T HA -0.213 4.136 4.350 -0.000 0.000 0.268 397 T C 1.641 176.349 174.700 0.013 0.000 1.034 397 T CA 2.065 64.282 62.100 0.194 0.000 1.149 397 T CB -0.462 68.540 68.868 0.224 0.000 0.860 397 T HN 0.441 nan 8.240 nan 0.000 0.449 398 K N 1.178 121.583 120.400 0.008 0.000 2.152 398 K HA -0.031 4.289 4.320 -0.000 0.000 0.206 398 K C 1.979 178.537 176.600 -0.069 0.000 1.048 398 K CA 0.932 57.214 56.287 -0.007 0.000 0.933 398 K CB -0.857 31.683 32.500 0.067 0.000 0.721 398 K HN 0.231 nan 8.250 nan 0.000 0.447 399 V N 0.763 120.576 119.914 -0.169 0.000 2.407 399 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 399 V C 2.159 178.052 176.094 -0.334 0.000 1.055 399 V CA 1.750 63.865 62.300 -0.309 0.000 1.049 399 V CB -0.358 30.988 31.823 -0.796 0.000 0.662 399 V HN 0.264 nan 8.190 nan 0.000 0.455 400 L N -1.526 119.455 121.223 -0.403 0.000 2.209 400 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 400 L C 2.594 179.179 176.870 -0.475 0.000 1.094 400 L CA 0.766 55.197 54.840 -0.681 0.000 0.790 400 L CB -0.690 40.889 42.059 -0.800 0.000 0.932 400 L HN 0.323 nan 8.230 nan 0.000 0.447 401 C N 0.300 119.462 119.300 -0.230 0.000 2.385 401 C HA -0.221 4.239 4.460 -0.000 0.000 0.275 401 C C 2.736 177.584 174.990 -0.238 0.000 1.207 401 C CA 0.898 59.837 59.018 -0.132 0.000 1.760 401 C CB -0.698 26.979 27.740 -0.106 0.000 2.051 401 C HN 0.426 nan 8.230 nan 0.000 0.467 402 I N -0.144 120.204 120.570 -0.370 0.000 2.163 402 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 402 I C 2.611 178.609 176.117 -0.199 0.000 1.081 402 I CA 1.328 62.303 61.300 -0.540 0.000 1.353 402 I CB -0.526 37.308 38.000 -0.276 0.000 1.054 402 I HN 0.344 nan 8.210 nan 0.000 0.407 403 L N -0.109 120.997 121.223 -0.195 0.000 2.043 403 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 403 L C 1.918 178.820 176.870 0.053 0.000 1.075 403 L CA 1.927 56.660 54.840 -0.177 0.000 0.752 403 L CB -0.311 41.410 42.059 -0.562 0.000 0.891 403 L HN 0.474 nan 8.230 nan 0.000 0.432 404 W N -1.068 120.247 121.300 0.025 0.000 3.220 404 W HA 0.157 4.817 4.660 -0.000 0.000 0.328 404 W C 0.579 177.143 176.519 0.074 0.000 1.205 404 W CA -0.449 56.938 57.345 0.069 0.000 1.773 404 W CB -0.779 28.670 29.460 -0.019 0.000 1.086 404 W HN 0.251 nan 8.180 nan 0.000 0.622 405 D N 0.570 121.118 120.400 0.246 0.000 2.723 405 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 405 D C -0.050 176.381 176.300 0.218 0.000 1.138 405 D CA 0.995 55.154 54.000 0.265 0.000 0.676 405 D CB -1.070 39.889 40.800 0.266 0.000 1.069 405 D HN 0.028 nan 8.370 nan 0.000 0.430 406 M N -0.324 119.379 119.600 0.171 0.000 2.644 406 M HA 0.386 4.866 4.480 -0.000 0.000 0.304 406 M C 0.243 176.598 176.300 0.091 0.000 1.215 406 M CA -1.053 54.322 55.300 0.125 0.000 0.871 406 M CB 2.007 34.674 32.600 0.111 0.000 1.740 406 M HN -0.059 nan 8.290 nan 0.000 0.464 407 E N 0.382 120.625 120.200 0.072 0.000 2.373 407 E HA 0.144 4.494 4.350 -0.000 0.000 0.263 407 E C 0.397 177.022 176.600 0.041 0.000 1.073 407 E CA 0.320 56.754 56.400 0.055 0.000 0.894 407 E CB 1.054 30.782 29.700 0.045 0.000 1.008 407 E HN 0.645 nan 8.360 nan 0.000 0.420 408 T N 3.141 117.715 114.554 0.033 0.000 2.649 408 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 408 T C 1.062 175.778 174.700 0.027 0.000 1.036 408 T CA 2.148 64.264 62.100 0.027 0.000 1.157 408 T CB -0.293 68.580 68.868 0.008 0.000 0.861 408 T HN 0.534 nan 8.240 nan 0.000 0.445 409 E N 0.489 120.698 120.200 0.015 0.000 2.058 409 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 409 E C 2.358 178.964 176.600 0.011 0.000 0.997 409 E CA 1.012 57.419 56.400 0.012 0.000 0.801 409 E CB -0.197 29.505 29.700 0.004 0.000 0.746 409 E HN 0.276 nan 8.360 nan 0.000 0.450 410 E N 0.249 120.451 120.200 0.004 0.000 2.072 410 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 410 E C 2.018 178.597 176.600 -0.035 0.000 0.985 410 E CA 0.559 56.946 56.400 -0.022 0.000 0.801 410 E CB -0.252 29.435 29.700 -0.022 0.000 0.750 410 E HN 0.090 nan 8.360 nan 0.000 0.452 411 V N 1.045 120.969 119.914 0.017 0.000 2.287 411 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 411 V C 2.136 178.263 176.094 0.053 0.000 1.053 411 V CA 2.270 64.614 62.300 0.072 0.000 1.027 411 V CB -0.455 31.433 31.823 0.109 0.000 0.646 411 V HN 0.319 nan 8.190 nan 0.000 0.447 412 E N -0.369 119.887 120.200 0.093 0.000 2.106 412 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 412 E C 1.950 178.614 176.600 0.108 0.000 0.984 412 E CA 1.294 57.812 56.400 0.198 0.000 0.806 412 E CB -0.184 29.685 29.700 0.282 0.000 0.750 412 E HN 0.606 nan 8.360 nan 0.000 0.458 413 D N 0.827 121.236 120.400 0.014 0.000 2.097 413 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 413 D C 1.972 178.181 176.300 -0.152 0.000 0.989 413 D CA 0.861 54.825 54.000 -0.060 0.000 0.827 413 D CB -0.219 40.541 40.800 -0.068 0.000 0.966 413 D HN 0.154 nan 8.370 nan 0.000 0.456 414 I N 0.584 121.034 120.570 -0.201 0.000 2.163 414 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 414 I C 2.368 178.169 176.117 -0.527 0.000 1.085 414 I CA 0.829 61.900 61.300 -0.381 0.000 1.347 414 I CB -0.160 37.586 38.000 -0.423 0.000 1.044 414 I HN -0.019 nan 8.210 nan 0.000 0.408 415 L N -0.109 120.975 121.223 -0.233 0.000 2.131 415 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 415 L C 2.594 179.447 176.870 -0.029 0.000 1.092 415 L CA 1.108 55.885 54.840 -0.106 0.000 0.759 415 L CB -0.599 41.303 42.059 -0.261 0.000 0.903 415 L HN 0.307 nan 8.230 nan 0.000 0.435 416 Q N 0.738 120.520 119.800 -0.030 0.000 2.119 416 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 416 Q C 1.938 177.865 176.000 -0.122 0.000 0.972 416 Q CA 1.543 57.327 55.803 -0.032 0.000 0.847 416 Q CB -0.012 28.661 28.738 -0.108 0.000 0.903 416 Q HN 0.466 nan 8.270 nan 0.000 0.433 417 E N -0.681 119.370 120.200 -0.248 0.000 2.085 417 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 417 E C 1.628 178.118 176.600 -0.184 0.000 0.994 417 E CA 1.220 57.457 56.400 -0.271 0.000 0.801 417 E CB -0.212 29.252 29.700 -0.394 0.000 0.743 417 E HN 0.408 nan 8.360 nan 0.000 0.453 418 F N 0.431 120.353 119.950 -0.047 0.000 2.146 418 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 418 F C 2.369 178.103 175.800 -0.111 0.000 1.096 418 F CA 0.449 58.396 58.000 -0.089 0.000 1.275 418 F CB -1.141 37.866 39.000 0.011 0.000 1.008 418 F HN -0.146 nan 8.300 nan 0.000 0.480 419 V N 0.602 120.574 119.914 0.097 0.000 2.287 419 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 419 V C 2.144 178.216 176.094 -0.036 0.000 1.053 419 V CA 2.025 64.320 62.300 -0.008 0.000 1.027 419 V CB -0.740 31.147 31.823 0.107 0.000 0.646 419 V HN 0.309 nan 8.190 nan 0.000 0.447 420 N N 0.259 118.950 118.700 -0.014 0.000 2.364 420 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 420 N C 1.559 177.089 175.510 0.034 0.000 1.022 420 N CA 1.035 54.085 53.050 0.001 0.000 0.883 420 N CB -0.227 38.237 38.487 -0.038 0.000 0.965 420 N HN 0.549 nan 8.380 nan 0.000 0.438 421 K N -0.064 120.328 120.400 -0.012 0.000 2.404 421 K HA 0.214 4.534 4.320 -0.000 0.000 0.194 421 K C 0.190 176.731 176.600 -0.099 0.000 1.023 421 K CA -0.014 56.243 56.287 -0.049 0.000 1.094 421 K CB 0.460 32.922 32.500 -0.064 0.000 0.841 421 K HN -0.153 nan 8.250 nan 0.000 0.523 422 S N 0.439 116.078 115.700 -0.102 0.000 3.476 422 S HA -0.144 4.326 4.470 -0.000 0.000 0.309 422 S C 0.615 175.048 174.600 -0.279 0.000 1.222 422 S CA 0.412 58.489 58.200 -0.205 0.000 0.922 422 S CB -1.440 61.739 63.200 -0.035 0.000 1.023 422 S HN 0.360 nan 8.310 nan 0.000 0.591 423 L N -0.881 120.202 121.223 -0.233 0.000 2.567 423 L HA 0.422 4.762 4.340 -0.000 0.000 0.225 423 L C 0.259 177.119 176.870 -0.017 0.000 1.119 423 L CA 0.407 55.164 54.840 -0.139 0.000 0.871 423 L CB 0.334 42.209 42.059 -0.307 0.000 1.036 423 L HN 0.393 nan 8.230 nan 0.000 0.459 424 L N -1.445 119.604 121.223 -0.290 0.000 2.653 424 L HA 0.488 4.828 4.340 -0.000 0.000 0.257 424 L C -1.705 174.738 176.870 -0.711 0.000 0.969 424 L CA -0.318 54.406 54.840 -0.193 0.000 0.869 424 L CB 1.892 44.057 42.059 0.178 0.000 1.439 424 L HN -0.259 nan 8.230 nan 0.000 0.414 425 F N 2.022 121.858 119.950 -0.190 0.000 2.561 425 F HA 0.752 5.279 4.527 -0.000 0.000 0.321 425 F C -0.217 175.333 175.800 -0.418 0.000 1.065 425 F CA -0.590 57.143 58.000 -0.445 0.000 0.934 425 F CB 2.013 40.438 39.000 -0.958 0.000 1.215 425 F HN 0.555 nan 8.300 nan 0.000 0.471 426 C N 2.139 121.343 119.300 -0.159 0.000 2.446 426 C HA 0.570 5.030 4.460 -0.000 0.000 0.329 426 C C -1.436 173.382 174.990 -0.287 0.000 1.166 426 C CA -0.587 58.246 59.018 -0.308 0.000 1.341 426 C CB 0.210 27.703 27.740 -0.411 0.000 1.970 426 C HN 0.751 nan 8.230 nan 0.000 0.452 427 D N 3.797 124.088 120.400 -0.182 0.000 2.280 427 D HA 0.496 5.136 4.640 -0.000 0.000 0.236 427 D C -0.391 175.690 176.300 -0.365 0.000 1.082 427 D CA -0.076 53.804 54.000 -0.200 0.000 0.834 427 D CB 1.184 41.933 40.800 -0.085 0.000 1.100 427 D HN 0.481 nan 8.370 nan 0.000 0.486 428 R N 1.744 121.991 120.500 -0.423 0.000 2.295 428 R HA 0.393 4.733 4.340 -0.000 0.000 0.324 428 R C -0.337 175.827 176.300 -0.227 0.000 0.968 428 R CA -0.703 55.155 56.100 -0.404 0.000 0.837 428 R CB 0.569 30.517 30.300 -0.587 0.000 1.133 428 R HN 0.135 nan 8.270 nan 0.000 0.450 429 N N 1.946 120.553 118.700 -0.155 0.000 2.800 429 N HA 0.333 5.073 4.740 -0.000 0.000 0.240 429 N C 0.473 175.829 175.510 -0.257 0.000 1.096 429 N CA 0.743 53.684 53.050 -0.182 0.000 0.877 429 N CB 0.790 39.200 38.487 -0.130 0.000 1.138 429 N HN 0.705 nan 8.380 nan 0.000 0.509 430 G N 3.420 111.911 108.800 -0.514 0.000 2.602 430 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.310 430 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.310 430 G C 0.900 175.488 174.900 -0.520 0.000 1.183 430 G CA 0.935 45.324 45.100 -1.186 0.000 0.979 430 G HN 0.674 nan 8.290 nan 0.000 0.545 431 K N 0.182 120.460 120.400 -0.204 0.000 2.305 431 K HA 0.375 4.695 4.320 -0.000 0.000 0.199 431 K C 1.005 177.602 176.600 -0.005 0.000 1.047 431 K CA 1.183 57.485 56.287 0.025 0.000 0.976 431 K CB 0.127 32.678 32.500 0.086 0.000 0.765 431 K HN 0.298 nan 8.250 nan 0.000 0.474 432 S N 1.676 117.398 115.700 0.038 0.000 2.448 432 S HA 0.267 4.737 4.470 -0.000 0.000 0.279 432 S C -0.937 173.819 174.600 0.261 0.000 1.195 432 S CA -0.512 57.741 58.200 0.088 0.000 1.051 432 S CB -0.002 63.218 63.200 0.033 0.000 0.948 432 S HN 0.094 nan 8.310 nan 0.000 0.493 433 F N 3.066 122.967 119.950 -0.082 0.000 2.436 433 F HA 0.533 5.060 4.527 -0.000 0.000 0.340 433 F C 0.801 176.453 175.800 -0.246 0.000 1.113 433 F CA -1.241 56.638 58.000 -0.201 0.000 1.022 433 F CB 1.234 40.158 39.000 -0.126 0.000 1.128 433 F HN 0.351 nan 8.300 nan 0.000 0.466 434 R N 2.995 123.349 120.500 -0.243 0.000 2.628 434 R HA 0.513 4.853 4.340 -0.000 0.000 0.288 434 R C -1.755 174.404 176.300 -0.235 0.000 0.980 434 R CA -0.906 55.112 56.100 -0.137 0.000 0.891 434 R CB 2.369 32.670 30.300 0.002 0.000 1.188 434 R HN 0.494 nan 8.270 nan 0.000 0.450 435 Y N 2.243 122.658 120.300 0.192 0.000 2.409 435 Y HA 0.463 5.013 4.550 -0.000 0.000 0.339 435 Y C -0.291 175.791 175.900 0.304 0.000 1.033 435 Y CA -0.742 57.472 58.100 0.190 0.000 1.094 435 Y CB 1.515 40.052 38.460 0.128 0.000 1.210 435 Y HN 0.508 nan 8.280 nan 0.000 0.456 436 Y N -0.562 119.917 120.300 0.298 0.000 2.638 436 Y HA 0.804 5.353 4.550 -0.000 0.000 0.335 436 Y C -2.183 173.936 175.900 0.364 0.000 1.155 436 Y CA -2.033 56.214 58.100 0.246 0.000 1.046 436 Y CB 0.977 39.529 38.460 0.152 0.000 1.303 436 Y HN 0.462 nan 8.280 nan 0.000 0.460 437 L N 2.372 123.831 121.223 0.393 0.000 2.330 437 L HA 0.401 4.741 4.340 -0.000 0.000 0.271 437 L C -0.040 177.061 176.870 0.386 0.000 1.013 437 L CA -1.178 53.895 54.840 0.387 0.000 0.816 437 L CB 1.569 43.783 42.059 0.258 0.000 1.287 437 L HN 0.780 nan 8.230 nan 0.000 0.435 438 H N 1.591 120.840 119.070 0.298 0.000 2.815 438 H HA -0.028 4.528 4.556 -0.000 0.000 0.350 438 H C 0.016 175.427 175.328 0.138 0.000 1.080 438 H CA 0.132 56.263 56.048 0.139 0.000 1.433 438 H CB 1.412 31.221 29.762 0.078 0.000 1.432 438 H HN 0.659 nan 8.280 nan 0.000 0.592 439 D N 4.062 124.419 120.400 -0.072 0.000 2.170 439 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 439 D C 2.293 178.706 176.300 0.187 0.000 1.004 439 D CA 1.259 55.295 54.000 0.060 0.000 0.860 439 D CB 0.051 40.855 40.800 0.007 0.000 0.931 439 D HN 0.566 nan 8.370 nan 0.000 0.448 440 L N 0.054 121.461 121.223 0.307 0.000 2.201 440 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 440 L C 2.332 179.337 176.870 0.226 0.000 1.105 440 L CA 0.994 55.929 54.840 0.158 0.000 0.775 440 L CB -0.322 41.719 42.059 -0.029 0.000 0.913 440 L HN 0.084 nan 8.230 nan 0.000 0.440 441 Q N -0.844 119.113 119.800 0.261 0.000 2.212 441 Q HA -0.089 4.251 4.340 -0.000 0.000 0.199 441 Q C 2.372 178.534 176.000 0.270 0.000 0.950 441 Q CA 0.803 56.768 55.803 0.269 0.000 0.863 441 Q CB 0.090 28.994 28.738 0.277 0.000 0.944 441 Q HN 0.333 nan 8.270 nan 0.000 0.465 442 V N 1.739 121.782 119.914 0.216 0.000 2.295 442 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 442 V C 1.523 177.719 176.094 0.170 0.000 1.049 442 V CA 2.049 64.446 62.300 0.162 0.000 1.024 442 V CB -0.535 31.366 31.823 0.129 0.000 0.648 442 V HN 0.318 nan 8.190 nan 0.000 0.447 443 D N -0.340 120.185 120.400 0.209 0.000 2.116 443 D HA -0.212 4.427 4.640 -0.000 0.000 0.193 443 D C 1.871 178.303 176.300 0.220 0.000 0.998 443 D CA 1.538 55.674 54.000 0.226 0.000 0.836 443 D CB -0.419 40.578 40.800 0.328 0.000 0.951 443 D HN 0.473 nan 8.370 nan 0.000 0.449 444 F N 1.102 121.123 119.950 0.118 0.000 2.102 444 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 444 F C 2.106 177.954 175.800 0.080 0.000 1.105 444 F CA 1.223 59.258 58.000 0.058 0.000 1.239 444 F CB -0.307 38.685 39.000 -0.013 0.000 0.991 444 F HN -0.104 nan 8.300 nan 0.000 0.474 445 L N -0.734 120.491 121.223 0.004 0.000 2.156 445 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 445 L C 2.350 179.163 176.870 -0.096 0.000 1.095 445 L CA 1.484 56.260 54.840 -0.107 0.000 0.770 445 L CB -1.002 41.056 42.059 -0.001 0.000 0.914 445 L HN 0.133 nan 8.230 nan 0.000 0.439 446 T N -0.934 113.611 114.554 -0.016 0.000 2.746 446 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 446 T C 1.745 176.437 174.700 -0.013 0.000 1.039 446 T CA 1.537 63.643 62.100 0.010 0.000 1.142 446 T CB 0.007 68.911 68.868 0.060 0.000 0.866 446 T HN 0.241 nan 8.240 nan 0.000 0.444 447 E N 1.442 121.629 120.200 -0.022 0.000 2.015 447 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 447 E C 2.182 178.753 176.600 -0.047 0.000 0.991 447 E CA 1.373 57.766 56.400 -0.012 0.000 0.802 447 E CB -0.187 29.554 29.700 0.067 0.000 0.759 447 E HN 0.355 nan 8.360 nan 0.000 0.447 448 K N -0.338 119.988 120.400 -0.123 0.000 2.074 448 K HA -0.133 4.186 4.320 -0.000 0.000 0.209 448 K C 0.530 177.078 176.600 -0.087 0.000 1.048 448 K CA 1.641 57.856 56.287 -0.120 0.000 0.926 448 K CB -0.038 32.220 32.500 -0.404 0.000 0.713 448 K HN 0.111 nan 8.250 nan 0.000 0.444 449 N N 0.267 118.914 118.700 -0.088 0.000 2.275 449 N HA 0.001 4.741 4.740 -0.000 0.000 0.236 449 N C 0.829 176.321 175.510 -0.030 0.000 1.154 449 N CA 0.002 53.022 53.050 -0.049 0.000 0.866 449 N CB -0.013 38.445 38.487 -0.048 0.000 1.093 449 N HN 0.223 nan 8.380 nan 0.000 0.515 450 C N 1.058 120.340 119.300 -0.030 0.000 2.391 450 C HA -0.200 4.260 4.460 -0.000 0.000 0.276 450 C C 2.909 177.898 174.990 -0.003 0.000 1.217 450 C CA 2.160 61.171 59.018 -0.012 0.000 1.766 450 C CB -0.983 26.744 27.740 -0.021 0.000 2.046 450 C HN 0.593 nan 8.230 nan 0.000 0.475 451 S N -0.869 114.824 115.700 -0.012 0.000 2.453 451 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 451 S C 1.627 176.227 174.600 0.001 0.000 1.005 451 S CA 1.194 59.390 58.200 -0.006 0.000 0.949 451 S CB -0.579 62.613 63.200 -0.013 0.000 0.774 451 S HN 0.857 nan 8.310 nan 0.000 0.510 452 Q N 0.114 119.914 119.800 -0.000 0.000 2.356 452 Q HA 0.353 4.693 4.340 -0.000 0.000 0.205 452 Q C 1.774 177.779 176.000 0.010 0.000 0.901 452 Q CA -0.031 55.774 55.803 0.003 0.000 0.938 452 Q CB -0.102 28.634 28.738 -0.004 0.000 1.081 452 Q HN 0.521 nan 8.270 nan 0.000 0.517 453 L N 0.590 121.826 121.223 0.022 0.000 2.046 453 L HA -0.252 4.087 4.340 -0.000 0.000 0.208 453 L C 2.611 179.545 176.870 0.106 0.000 1.077 453 L CA 1.466 56.333 54.840 0.044 0.000 0.747 453 L CB -0.384 41.729 42.059 0.089 0.000 0.896 453 L HN 0.351 nan 8.230 nan 0.000 0.432 454 Q N -0.050 119.813 119.800 0.105 0.000 2.096 454 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 454 Q C 1.668 177.718 176.000 0.083 0.000 0.982 454 Q CA 1.884 57.752 55.803 0.107 0.000 0.850 454 Q CB 0.076 28.845 28.738 0.051 0.000 0.901 454 Q HN 0.475 nan 8.270 nan 0.000 0.422 455 D N 0.138 120.566 120.400 0.046 0.000 2.178 455 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 455 D C 1.926 178.243 176.300 0.028 0.000 0.974 455 D CA 0.742 54.761 54.000 0.032 0.000 0.841 455 D CB -0.059 40.754 40.800 0.021 0.000 0.953 455 D HN 0.297 nan 8.370 nan 0.000 0.478 456 L N 0.147 121.371 121.223 0.002 0.000 2.072 456 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 456 L C 2.469 179.298 176.870 -0.067 0.000 1.079 456 L CA 0.901 55.715 54.840 -0.044 0.000 0.752 456 L CB -0.471 41.525 42.059 -0.105 0.000 0.906 456 L HN 0.144 nan 8.230 nan 0.000 0.436 457 H N 0.333 119.426 119.070 0.038 0.000 2.352 457 H HA -0.205 4.351 4.556 -0.000 0.000 0.299 457 H C 2.230 177.566 175.328 0.015 0.000 1.097 457 H CA 1.670 57.747 56.048 0.049 0.000 1.311 457 H CB 0.005 29.786 29.762 0.032 0.000 1.377 457 H HN 0.272 nan 8.280 nan 0.000 0.504 458 K N 1.333 121.800 120.400 0.112 0.000 2.097 458 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 458 K C 2.271 178.898 176.600 0.045 0.000 1.049 458 K CA 1.250 57.568 56.287 0.052 0.000 0.933 458 K CB 0.114 32.630 32.500 0.027 0.000 0.717 458 K HN 0.075 nan 8.250 nan 0.000 0.442 459 K N 0.812 121.240 120.400 0.046 0.000 2.032 459 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 459 K C 2.122 178.757 176.600 0.059 0.000 1.048 459 K CA 1.729 58.048 56.287 0.054 0.000 0.927 459 K CB -0.184 32.353 32.500 0.062 0.000 0.712 459 K HN 0.259 nan 8.250 nan 0.000 0.441 460 I N 0.798 121.389 120.570 0.035 0.000 2.315 460 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 460 I C 1.661 177.840 176.117 0.104 0.000 1.117 460 I CA 0.800 62.127 61.300 0.045 0.000 1.404 460 I CB 0.081 38.029 38.000 -0.087 0.000 1.071 460 I HN 0.204 nan 8.210 nan 0.000 0.419 461 I N 0.558 121.173 120.570 0.075 0.000 2.286 461 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 461 I C 2.511 178.683 176.117 0.092 0.000 1.104 461 I CA 1.452 62.793 61.300 0.067 0.000 1.397 461 I CB -1.900 36.110 38.000 0.017 0.000 1.072 461 I HN 0.241 nan 8.210 nan 0.000 0.417 462 T N 0.822 115.414 114.554 0.063 0.000 2.684 462 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 462 T C 1.879 176.621 174.700 0.070 0.000 1.036 462 T CA 1.207 63.337 62.100 0.051 0.000 1.148 462 T CB -0.152 68.741 68.868 0.042 0.000 0.863 462 T HN 0.285 nan 8.240 nan 0.000 0.436 463 Q N 0.023 119.885 119.800 0.103 0.000 2.083 463 Q HA 0.067 4.407 4.340 -0.000 0.000 0.198 463 Q C 2.085 178.174 176.000 0.149 0.000 0.969 463 Q CA 0.914 56.801 55.803 0.141 0.000 0.838 463 Q CB -0.626 28.193 28.738 0.136 0.000 0.900 463 Q HN 0.615 nan 8.270 nan 0.000 0.436 464 F N 2.185 122.095 119.950 -0.066 0.000 2.126 464 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 464 F C 1.890 177.605 175.800 -0.141 0.000 1.096 464 F CA 1.556 59.413 58.000 -0.239 0.000 1.255 464 F CB -0.042 38.588 39.000 -0.617 0.000 0.997 464 F HN 0.085 nan 8.300 nan 0.000 0.479 465 Q N -0.009 119.705 119.800 -0.143 0.000 2.541 465 Q HA -0.072 4.268 4.340 -0.000 0.000 0.215 465 Q C 1.569 177.438 176.000 -0.218 0.000 0.977 465 Q CA 0.652 56.327 55.803 -0.214 0.000 0.934 465 Q CB -0.092 28.621 28.738 -0.041 0.000 0.988 465 Q HN 0.537 nan 8.270 nan 0.000 0.521 466 R N -1.555 118.844 120.500 -0.169 0.000 2.308 466 R HA 0.077 4.417 4.340 -0.000 0.000 0.202 466 R C 0.589 176.650 176.300 -0.399 0.000 0.898 466 R CA 0.444 56.412 56.100 -0.219 0.000 1.046 466 R CB 0.459 30.669 30.300 -0.150 0.000 1.026 466 R HN 0.271 nan 8.270 nan 0.000 0.512 467 Y N -0.682 119.366 120.300 -0.420 0.000 2.535 467 Y HA 0.271 4.821 4.550 -0.000 0.000 0.264 467 Y C 0.803 176.195 175.900 -0.848 0.000 1.087 467 Y CA 0.223 57.988 58.100 -0.557 0.000 1.285 467 Y CB 0.661 38.817 38.460 -0.507 0.000 1.200 467 Y HN -0.054 nan 8.280 nan 0.000 0.514 468 H N -0.652 118.061 119.070 -0.595 0.000 2.977 468 H HA 0.477 5.033 4.556 -0.000 0.000 0.350 468 H C -1.014 173.885 175.328 -0.715 0.000 1.238 468 H CA -0.876 54.745 56.048 -0.711 0.000 1.124 468 H CB 1.652 30.790 29.762 -1.040 0.000 1.866 468 H HN 0.010 nan 8.280 nan 0.000 0.550 469 Q N 0.674 120.274 119.800 -0.334 0.000 2.377 469 Q HA 0.253 4.593 4.340 -0.000 0.000 0.271 469 Q C -1.850 174.066 176.000 -0.139 0.000 1.077 469 Q CA -1.902 53.730 55.803 -0.285 0.000 0.820 469 Q CB 2.495 30.940 28.738 -0.489 0.000 1.347 469 Q HN 0.243 nan 8.270 nan 0.000 0.444 470 P HA -0.277 nan 4.420 nan 0.000 0.216 470 P C 0.835 178.267 177.300 0.220 0.000 1.157 470 P CA 1.659 64.841 63.100 0.137 0.000 0.880 470 P CB -0.025 31.689 31.700 0.023 0.000 0.791 471 H N -2.896 116.291 119.070 0.195 0.000 2.546 471 H HA 0.135 4.691 4.556 -0.000 0.000 0.277 471 H C 0.930 176.351 175.328 0.156 0.000 1.004 471 H CA 1.083 57.245 56.048 0.192 0.000 1.231 471 H CB -1.257 28.592 29.762 0.145 0.000 1.382 471 H HN 0.012 nan 8.280 nan 0.000 0.580 472 T N 1.426 115.831 114.554 -0.248 0.000 3.148 472 T HA 0.089 4.438 4.350 -0.000 0.000 0.253 472 T C 0.591 175.329 174.700 0.064 0.000 1.134 472 T CA -0.287 61.755 62.100 -0.097 0.000 1.051 472 T CB -0.373 68.384 68.868 -0.184 0.000 0.959 472 T HN 0.060 nan 8.240 nan 0.000 0.525 473 L N 3.171 124.445 121.223 0.085 0.000 2.367 473 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 473 L C 0.165 177.161 176.870 0.211 0.000 1.129 473 L CA 0.079 54.985 54.840 0.110 0.000 0.839 473 L CB 0.553 42.620 42.059 0.013 0.000 1.133 473 L HN 0.080 nan 8.230 nan 0.000 0.453 474 S N 3.865 119.689 115.700 0.208 0.000 2.540 474 S HA 0.613 5.083 4.470 -0.000 0.000 0.275 474 S C -2.383 172.331 174.600 0.190 0.000 1.123 474 S CA -1.129 57.189 58.200 0.196 0.000 0.907 474 S CB 1.814 65.106 63.200 0.153 0.000 1.081 474 S HN 0.455 nan 8.310 nan 0.000 0.476 475 P HA 0.009 nan 4.420 nan 0.000 0.237 475 P C 0.799 178.169 177.300 0.117 0.000 1.178 475 P CA 0.672 63.855 63.100 0.138 0.000 0.766 475 P CB -0.135 31.619 31.700 0.090 0.000 0.876 476 D N -0.019 120.449 120.400 0.113 0.000 2.178 476 D HA -0.140 4.500 4.640 -0.000 0.000 0.202 476 D C 0.768 177.136 176.300 0.113 0.000 0.974 476 D CA 0.571 54.631 54.000 0.101 0.000 0.841 476 D CB -0.564 40.291 40.800 0.093 0.000 0.953 476 D HN 0.358 nan 8.370 nan 0.000 0.478 477 Q N 1.124 121.008 119.800 0.141 0.000 2.293 477 Q HA 0.120 4.460 4.340 -0.000 0.000 0.251 477 Q C 0.944 177.038 176.000 0.157 0.000 0.930 477 Q CA -0.466 55.432 55.803 0.159 0.000 0.893 477 Q CB 1.702 30.563 28.738 0.206 0.000 1.215 477 Q HN 0.223 nan 8.270 nan 0.000 0.425 478 E N 2.538 122.822 120.200 0.140 0.000 2.204 478 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 478 E C 0.240 176.910 176.600 0.116 0.000 0.990 478 E CA 1.664 58.133 56.400 0.114 0.000 0.821 478 E CB 0.122 29.877 29.700 0.091 0.000 0.750 478 E HN 0.823 nan 8.360 nan 0.000 0.477 479 D N 0.188 120.676 120.400 0.147 0.000 2.349 479 D HA -0.069 4.571 4.640 -0.000 0.000 0.214 479 D C 1.800 178.202 176.300 0.170 0.000 1.063 479 D CA 0.138 54.194 54.000 0.094 0.000 0.847 479 D CB -0.636 40.239 40.800 0.124 0.000 0.933 479 D HN 0.249 nan 8.370 nan 0.000 0.513 480 C N 0.533 119.977 119.300 0.239 0.000 2.413 480 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 480 C C 2.349 177.547 174.990 0.345 0.000 1.228 480 C CA 0.717 59.922 59.018 0.312 0.000 1.731 480 C CB -0.804 27.105 27.740 0.282 0.000 2.042 480 C HN 0.246 nan 8.230 nan 0.000 0.468 481 M N -0.510 119.239 119.600 0.248 0.000 2.296 481 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 481 M C 1.903 178.266 176.300 0.104 0.000 1.064 481 M CA 1.264 56.679 55.300 0.192 0.000 1.109 481 M CB -1.784 30.873 32.600 0.095 0.000 1.396 481 M HN 0.695 nan 8.290 nan 0.000 0.430 482 Y N -0.415 119.876 120.300 -0.016 0.000 2.128 482 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 482 Y C 1.975 177.848 175.900 -0.045 0.000 1.154 482 Y CA 1.968 60.025 58.100 -0.072 0.000 1.149 482 Y CB -0.494 37.756 38.460 -0.351 0.000 0.976 482 Y HN 0.179 nan 8.280 nan 0.000 0.505 483 W N -1.913 119.559 121.300 0.286 0.000 2.409 483 W HA -0.170 4.490 4.660 -0.000 0.000 0.299 483 W C 2.125 178.653 176.519 0.014 0.000 1.203 483 W CA 0.802 58.206 57.345 0.099 0.000 1.298 483 W CB -0.873 28.575 29.460 -0.020 0.000 1.127 483 W HN 0.022 nan 8.180 nan 0.000 0.528 484 Y N 1.140 121.622 120.300 0.304 0.000 2.207 484 Y HA -0.268 4.282 4.550 -0.000 0.000 0.287 484 Y C 2.246 178.190 175.900 0.073 0.000 1.156 484 Y CA 1.588 59.821 58.100 0.222 0.000 1.182 484 Y CB -0.913 37.573 38.460 0.043 0.000 0.979 484 Y HN -0.048 nan 8.280 nan 0.000 0.521 485 N N -1.161 117.492 118.700 -0.078 0.000 2.216 485 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 485 N C 0.637 175.766 175.510 -0.634 0.000 1.017 485 N CA 1.305 54.013 53.050 -0.571 0.000 0.861 485 N CB -0.242 37.426 38.487 -1.364 0.000 0.986 485 N HN 0.269 nan 8.380 nan 0.000 0.428 486 F N -0.667 119.266 119.950 -0.027 0.000 2.838 486 F HA 0.364 4.891 4.527 -0.000 0.000 0.329 486 F C 1.569 177.471 175.800 0.170 0.000 1.116 486 F CA -0.602 57.348 58.000 -0.084 0.000 1.155 486 F CB -0.328 38.321 39.000 -0.585 0.000 1.106 486 F HN -0.120 nan 8.300 nan 0.000 0.538 487 L N 0.224 121.634 121.223 0.311 0.000 2.017 487 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 487 L C 2.555 179.447 176.870 0.036 0.000 1.073 487 L CA 1.744 56.688 54.840 0.172 0.000 0.745 487 L CB -0.342 41.633 42.059 -0.140 0.000 0.894 487 L HN 0.240 nan 8.230 nan 0.000 0.432 488 A N -1.099 121.725 122.820 0.007 0.000 1.930 488 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 488 A C 2.099 179.520 177.584 -0.271 0.000 1.175 488 A CA 1.538 53.510 52.037 -0.109 0.000 0.627 488 A CB -0.941 18.078 19.000 0.032 0.000 0.815 488 A HN 0.585 nan 8.150 nan 0.000 0.443 489 Y N 0.293 120.492 120.300 -0.169 0.000 2.097 489 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 489 Y C 2.526 178.188 175.900 -0.395 0.000 1.152 489 Y CA 2.431 60.347 58.100 -0.307 0.000 1.136 489 Y CB -0.443 38.010 38.460 -0.011 0.000 0.975 489 Y HN 0.477 nan 8.280 nan 0.000 0.498 490 H N -0.384 118.615 119.070 -0.118 0.000 2.357 490 H HA -0.137 4.419 4.556 -0.000 0.000 0.301 490 H C 2.338 177.501 175.328 -0.275 0.000 1.082 490 H CA 1.933 57.886 56.048 -0.158 0.000 1.342 490 H CB -0.411 29.491 29.762 0.233 0.000 1.389 490 H HN 0.462 nan 8.280 nan 0.000 0.511 491 M N -0.030 119.485 119.600 -0.142 0.000 2.080 491 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 491 M C 2.699 178.801 176.300 -0.330 0.000 1.068 491 M CA 1.666 56.835 55.300 -0.218 0.000 1.109 491 M CB -0.174 32.273 32.600 -0.255 0.000 1.342 491 M HN 0.234 nan 8.290 nan 0.000 0.405 492 A N -0.659 121.840 122.820 -0.534 0.000 1.929 492 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 492 A C 2.226 179.513 177.584 -0.495 0.000 1.176 492 A CA 1.836 53.518 52.037 -0.593 0.000 0.628 492 A CB -0.648 17.719 19.000 -1.055 0.000 0.816 492 A HN 0.451 nan 8.150 nan 0.000 0.444 493 S N 0.102 115.404 115.700 -0.664 0.000 2.402 493 S HA 0.022 4.492 4.470 -0.000 0.000 0.229 493 S C 1.983 176.382 174.600 -0.336 0.000 1.021 493 S CA 0.949 58.752 58.200 -0.662 0.000 0.974 493 S CB -0.283 62.059 63.200 -1.430 0.000 0.800 493 S HN 0.761 nan 8.310 nan 0.000 0.484 494 A N 0.898 123.586 122.820 -0.220 0.000 2.235 494 A HA 0.121 4.441 4.320 -0.000 0.000 0.208 494 A C 0.709 178.250 177.584 -0.071 0.000 1.172 494 A CA 0.195 52.200 52.037 -0.054 0.000 0.786 494 A CB -0.233 18.761 19.000 -0.010 0.000 0.804 494 A HN 0.234 nan 8.150 nan 0.000 0.479 495 K N -1.323 119.010 120.400 -0.111 0.000 3.016 495 K HA -0.203 4.117 4.320 -0.000 0.000 0.262 495 K C -0.281 176.291 176.600 -0.047 0.000 1.043 495 K CA 1.229 57.481 56.287 -0.058 0.000 0.761 495 K CB -2.193 30.311 32.500 0.006 0.000 1.230 495 K HN 0.679 nan 8.250 nan 0.000 0.485 496 M N 1.861 121.382 119.600 -0.131 0.000 3.422 496 M HA 0.052 4.531 4.480 -0.000 0.000 0.248 496 M C 1.799 177.954 176.300 -0.242 0.000 1.433 496 M CA -0.167 55.012 55.300 -0.201 0.000 1.592 496 M CB 0.056 32.554 32.600 -0.171 0.000 1.078 496 M HN 0.160 nan 8.290 nan 0.000 0.578 497 H N 0.351 119.335 119.070 -0.144 0.000 2.421 497 H HA -0.055 4.501 4.556 -0.000 0.000 0.298 497 H C 1.105 176.333 175.328 -0.168 0.000 1.087 497 H CA 1.130 57.081 56.048 -0.160 0.000 1.330 497 H CB -0.134 29.561 29.762 -0.113 0.000 1.388 497 H HN 0.482 nan 8.280 nan 0.000 0.526 498 K N 0.688 120.843 120.400 -0.409 0.000 2.026 498 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 498 K C 2.242 178.711 176.600 -0.219 0.000 1.048 498 K CA 1.762 57.906 56.287 -0.238 0.000 0.929 498 K CB 0.121 32.475 32.500 -0.243 0.000 0.713 498 K HN 0.249 nan 8.250 nan 0.000 0.439 499 E N 0.896 120.956 120.200 -0.234 0.000 2.106 499 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 499 E C 1.777 178.206 176.600 -0.285 0.000 0.984 499 E CA 0.592 56.860 56.400 -0.220 0.000 0.806 499 E CB -0.085 29.503 29.700 -0.188 0.000 0.750 499 E HN 0.082 nan 8.360 nan 0.000 0.458 500 L N 0.079 121.116 121.223 -0.311 0.000 2.046 500 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 500 L C 1.913 178.465 176.870 -0.531 0.000 1.077 500 L CA 1.597 56.205 54.840 -0.386 0.000 0.747 500 L CB -0.416 41.438 42.059 -0.341 0.000 0.896 500 L HN 0.232 nan 8.230 nan 0.000 0.432 501 C N -0.794 118.167 119.300 -0.565 0.000 2.432 501 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 501 C C 2.988 177.643 174.990 -0.558 0.000 1.249 501 C CA 0.621 59.097 59.018 -0.903 0.000 1.725 501 C CB -1.550 25.841 27.740 -0.583 0.000 2.028 501 C HN 0.700 nan 8.230 nan 0.000 0.477 502 A N -0.096 122.536 122.820 -0.314 0.000 1.972 502 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 502 A C 2.024 179.470 177.584 -0.229 0.000 1.169 502 A CA 1.579 53.504 52.037 -0.187 0.000 0.635 502 A CB -0.512 18.408 19.000 -0.134 0.000 0.810 502 A HN 0.537 nan 8.150 nan 0.000 0.446 503 L N -0.955 120.049 121.223 -0.364 0.000 2.023 503 L HA 0.001 4.341 4.340 -0.000 0.000 0.205 503 L C 2.453 179.010 176.870 -0.522 0.000 1.073 503 L CA 2.087 56.611 54.840 -0.528 0.000 0.745 503 L CB -0.346 41.294 42.059 -0.699 0.000 0.900 503 L HN 0.394 nan 8.230 nan 0.000 0.435 504 M N -1.724 117.587 119.600 -0.481 0.000 2.435 504 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 504 M C 0.053 176.315 176.300 -0.064 0.000 1.104 504 M CA 0.334 55.471 55.300 -0.272 0.000 1.140 504 M CB 0.105 32.397 32.600 -0.514 0.000 1.372 504 M HN 0.047 nan 8.290 nan 0.000 0.456 505 F N 1.041 120.765 119.950 -0.377 0.000 2.669 505 F HA 0.328 4.855 4.527 -0.000 0.000 0.353 505 F C 0.478 176.073 175.800 -0.342 0.000 1.192 505 F CA -0.689 56.824 58.000 -0.813 0.000 1.317 505 F CB -0.787 37.985 39.000 -0.380 0.000 1.652 505 F HN -0.159 nan 8.300 nan 0.000 0.608 506 S N 0.964 116.699 115.700 0.058 0.000 2.652 506 S HA 0.404 4.874 4.470 -0.000 0.000 0.273 506 S C 0.691 175.543 174.600 0.421 0.000 1.172 506 S CA -0.604 57.766 58.200 0.284 0.000 1.009 506 S CB 0.545 63.878 63.200 0.223 0.000 1.094 506 S HN 0.357 nan 8.310 nan 0.000 0.471 507 L N 2.854 124.302 121.223 0.375 0.000 2.127 507 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 507 L C 1.770 178.793 176.870 0.254 0.000 1.089 507 L CA 1.162 56.183 54.840 0.302 0.000 0.757 507 L CB -0.310 41.849 42.059 0.166 0.000 0.899 507 L HN 0.607 nan 8.230 nan 0.000 0.434 508 D N -0.715 119.828 120.400 0.238 0.000 2.117 508 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 508 D C 1.794 178.266 176.300 0.287 0.000 0.987 508 D CA 1.067 55.199 54.000 0.219 0.000 0.829 508 D CB -0.212 40.709 40.800 0.202 0.000 0.961 508 D HN 0.472 nan 8.370 nan 0.000 0.460 509 W N 1.320 122.713 121.300 0.155 0.000 2.409 509 W HA -0.074 4.586 4.660 -0.000 0.000 0.299 509 W C 1.917 178.549 176.519 0.187 0.000 1.203 509 W CA 0.514 57.959 57.345 0.167 0.000 1.298 509 W CB -0.208 29.325 29.460 0.121 0.000 1.127 509 W HN -0.094 nan 8.180 nan 0.000 0.528 510 I N 1.081 121.786 120.570 0.226 0.000 2.179 510 I HA -0.367 3.803 4.170 -0.000 0.000 0.242 510 I C 2.591 178.703 176.117 -0.009 0.000 1.088 510 I CA 1.816 63.198 61.300 0.136 0.000 1.357 510 I CB -0.632 37.597 38.000 0.381 0.000 1.051 510 I HN -0.098 nan 8.210 nan 0.000 0.409 511 K N 1.251 121.672 120.400 0.035 0.000 2.009 511 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 511 K C 2.206 178.703 176.600 -0.171 0.000 1.049 511 K CA 1.766 58.018 56.287 -0.057 0.000 0.929 511 K CB -0.188 32.314 32.500 0.004 0.000 0.714 511 K HN 0.282 nan 8.250 nan 0.000 0.440 512 A N 1.303 124.051 122.820 -0.120 0.000 1.877 512 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 512 A C 2.104 179.465 177.584 -0.372 0.000 1.186 512 A CA 1.977 53.928 52.037 -0.143 0.000 0.620 512 A CB -0.551 18.491 19.000 0.069 0.000 0.822 512 A HN 0.416 nan 8.150 nan 0.000 0.443 513 K N -0.664 119.428 120.400 -0.514 0.000 2.031 513 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 513 K C 2.211 178.536 176.600 -0.458 0.000 1.049 513 K CA 1.909 57.794 56.287 -0.670 0.000 0.939 513 K CB -0.316 31.726 32.500 -0.763 0.000 0.717 513 K HN 0.636 nan 8.250 nan 0.000 0.438 514 T N -1.335 113.024 114.554 -0.326 0.000 2.867 514 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 514 T C 1.510 176.027 174.700 -0.305 0.000 1.057 514 T CA 1.173 63.128 62.100 -0.242 0.000 1.136 514 T CB -0.221 68.549 68.868 -0.164 0.000 0.874 514 T HN 0.314 nan 8.240 nan 0.000 0.466 515 E N 0.662 120.590 120.200 -0.453 0.000 2.204 515 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 515 E C 2.077 178.470 176.600 -0.345 0.000 0.989 515 E CA 0.655 56.645 56.400 -0.685 0.000 0.824 515 E CB -0.176 28.937 29.700 -0.978 0.000 0.756 515 E HN 0.514 nan 8.360 nan 0.000 0.477 516 L N -0.113 120.906 121.223 -0.339 0.000 2.084 516 L HA -0.055 4.285 4.340 -0.000 0.000 0.202 516 L C 2.123 178.877 176.870 -0.193 0.000 1.074 516 L CA 0.848 55.525 54.840 -0.272 0.000 0.757 516 L CB 0.200 41.977 42.059 -0.470 0.000 0.918 516 L HN 0.108 nan 8.230 nan 0.000 0.444 517 V N -4.505 115.277 119.914 -0.221 0.000 3.432 517 V HA 0.578 4.698 4.120 -0.000 0.000 0.298 517 V C 0.712 176.751 176.094 -0.091 0.000 1.464 517 V CA 0.039 62.253 62.300 -0.142 0.000 1.046 517 V CB -0.327 31.407 31.823 -0.149 0.000 0.887 517 V HN 0.447 nan 8.190 nan 0.000 0.441 518 G N 2.048 110.788 108.800 -0.100 0.000 2.741 518 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.222 518 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.222 518 G C -1.482 173.389 174.900 -0.048 0.000 1.364 518 G CA 0.044 45.106 45.100 -0.063 0.000 0.866 518 G HN 0.354 nan 8.290 nan 0.000 0.555 519 P HA 0.203 nan 4.420 nan 0.000 0.245 519 P C 1.779 179.116 177.300 0.061 0.000 1.203 519 P CA 1.796 64.904 63.100 0.013 0.000 0.792 519 P CB 0.118 31.814 31.700 -0.006 0.000 0.997 520 A N 0.507 123.361 122.820 0.057 0.000 1.877 520 A HA -0.243 4.076 4.320 -0.000 0.000 0.216 520 A C 2.400 180.080 177.584 0.159 0.000 1.186 520 A CA 1.962 54.048 52.037 0.081 0.000 0.620 520 A CB -1.971 17.053 19.000 0.040 0.000 0.822 520 A HN 0.175 nan 8.150 nan 0.000 0.443 521 H N -0.148 118.941 119.070 0.032 0.000 2.321 521 H HA 0.005 4.561 4.556 -0.000 0.000 0.300 521 H C 1.821 177.217 175.328 0.114 0.000 1.087 521 H CA 1.790 57.874 56.048 0.060 0.000 1.319 521 H CB -0.493 29.273 29.762 0.007 0.000 1.379 521 H HN 0.342 nan 8.280 nan 0.000 0.501 522 L N -0.340 120.924 121.223 0.069 0.000 2.013 522 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 522 L C 2.606 179.602 176.870 0.210 0.000 1.073 522 L CA 1.596 56.473 54.840 0.062 0.000 0.753 522 L CB -0.402 41.767 42.059 0.183 0.000 0.890 522 L HN 0.315 nan 8.230 nan 0.000 0.432 523 I N -1.131 119.586 120.570 0.245 0.000 2.163 523 I HA -0.392 3.778 4.170 -0.000 0.000 0.243 523 I C 2.538 178.778 176.117 0.206 0.000 1.085 523 I CA 1.601 63.059 61.300 0.263 0.000 1.347 523 I CB -0.372 37.724 38.000 0.160 0.000 1.044 523 I HN 0.359 nan 8.210 nan 0.000 0.408 524 H N 1.033 120.141 119.070 0.063 0.000 2.353 524 H HA -0.180 4.376 4.556 -0.000 0.000 0.300 524 H C 2.074 177.312 175.328 -0.150 0.000 1.090 524 H CA 1.986 58.035 56.048 0.002 0.000 1.327 524 H CB 0.018 29.817 29.762 0.061 0.000 1.383 524 H HN 0.332 nan 8.280 nan 0.000 0.508 525 E N -0.734 119.251 120.200 -0.359 0.000 2.077 525 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 525 E C 1.871 178.117 176.600 -0.588 0.000 0.989 525 E CA 1.039 56.987 56.400 -0.753 0.000 0.800 525 E CB -0.175 29.207 29.700 -0.531 0.000 0.746 525 E HN 0.442 nan 8.360 nan 0.000 0.452 526 F N 0.390 120.230 119.950 -0.184 0.000 2.095 526 F HA -0.226 4.300 4.527 -0.000 0.000 0.298 526 F C 2.310 178.059 175.800 -0.084 0.000 1.104 526 F CA 0.918 58.895 58.000 -0.037 0.000 1.232 526 F CB -0.571 38.478 39.000 0.080 0.000 0.987 526 F HN -0.113 nan 8.300 nan 0.000 0.475 527 V N -0.455 119.479 119.914 0.033 0.000 2.270 527 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 527 V C 2.320 178.350 176.094 -0.106 0.000 1.043 527 V CA 2.070 64.360 62.300 -0.017 0.000 1.014 527 V CB -0.508 31.303 31.823 -0.020 0.000 0.645 527 V HN 0.195 nan 8.190 nan 0.000 0.447 528 E N -0.213 119.764 120.200 -0.373 0.000 2.118 528 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 528 E C 1.658 178.242 176.600 -0.026 0.000 0.992 528 E CA 1.717 57.907 56.400 -0.351 0.000 0.804 528 E CB -0.144 29.050 29.700 -0.842 0.000 0.741 528 E HN 0.734 nan 8.360 nan 0.000 0.458 529 Y N -0.873 119.371 120.300 -0.093 0.000 2.467 529 Y HA 0.351 4.901 4.550 -0.000 0.000 0.250 529 Y C 1.793 177.539 175.900 -0.257 0.000 1.155 529 Y CA -0.256 57.710 58.100 -0.222 0.000 1.249 529 Y CB -0.237 38.086 38.460 -0.228 0.000 1.146 529 Y HN -0.013 nan 8.280 nan 0.000 0.524 530 R N 0.647 121.173 120.500 0.044 0.000 2.152 530 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 530 R C 1.857 178.170 176.300 0.022 0.000 1.117 530 R CA 1.896 58.040 56.100 0.073 0.000 0.981 530 R CB -0.249 30.128 30.300 0.130 0.000 0.870 530 R HN 0.607 nan 8.270 nan 0.000 0.451 531 H N -0.522 118.590 119.070 0.069 0.000 2.521 531 H HA -0.070 4.486 4.556 -0.000 0.000 0.286 531 H C 1.718 177.058 175.328 0.020 0.000 1.034 531 H CA 1.385 57.457 56.048 0.040 0.000 1.278 531 H CB -0.511 29.272 29.762 0.035 0.000 1.386 531 H HN 0.497 nan 8.280 nan 0.000 0.567 532 I N -1.388 118.936 120.570 -0.411 0.000 3.564 532 I HA 0.199 4.369 4.170 -0.000 0.000 0.294 532 I C -0.100 175.937 176.117 -0.134 0.000 1.289 532 I CA 0.005 61.177 61.300 -0.213 0.000 1.325 532 I CB 0.052 37.886 38.000 -0.277 0.000 1.039 532 I HN 0.043 nan 8.210 nan 0.000 0.474 533 L N 2.160 123.329 121.223 -0.090 0.000 2.360 533 L HA 0.353 4.693 4.340 -0.000 0.000 0.271 533 L C 0.049 176.876 176.870 -0.073 0.000 1.057 533 L CA -0.981 53.819 54.840 -0.068 0.000 0.803 533 L CB 0.845 42.929 42.059 0.042 0.000 1.207 533 L HN 0.242 nan 8.230 nan 0.000 0.445 534 D N 0.292 120.628 120.400 -0.108 0.000 2.393 534 D HA -0.024 4.616 4.640 -0.000 0.000 0.246 534 D C 0.665 176.968 176.300 0.005 0.000 1.275 534 D CA -0.239 53.722 54.000 -0.064 0.000 0.979 534 D CB 0.646 41.400 40.800 -0.077 0.000 1.101 534 D HN 0.476 nan 8.370 nan 0.000 0.505 535 E N -0.737 119.469 120.200 0.010 0.000 2.077 535 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 535 E C 1.830 178.454 176.600 0.040 0.000 0.989 535 E CA 1.306 57.721 56.400 0.025 0.000 0.800 535 E CB -0.102 29.608 29.700 0.016 0.000 0.746 535 E HN 0.488 nan 8.360 nan 0.000 0.452 536 K N 0.344 120.771 120.400 0.044 0.000 2.025 536 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 536 K C 1.466 178.120 176.600 0.089 0.000 1.049 536 K CA 1.566 57.887 56.287 0.055 0.000 0.933 536 K CB 0.091 32.626 32.500 0.057 0.000 0.714 536 K HN 0.045 nan 8.250 nan 0.000 0.438 537 D N 0.135 120.619 120.400 0.141 0.000 2.183 537 D HA -0.154 4.486 4.640 -0.000 0.000 0.203 537 D C 1.967 178.431 176.300 0.273 0.000 0.969 537 D CA 0.759 54.928 54.000 0.282 0.000 0.842 537 D CB -0.461 40.530 40.800 0.318 0.000 0.957 537 D HN 0.294 nan 8.370 nan 0.000 0.484 538 C N 1.305 120.707 119.300 0.170 0.000 2.413 538 C HA -0.083 4.377 4.460 -0.000 0.000 0.276 538 C C 2.866 177.918 174.990 0.103 0.000 1.248 538 C CA 1.480 60.585 59.018 0.145 0.000 1.742 538 C CB -0.967 26.827 27.740 0.091 0.000 2.017 538 C HN 0.312 nan 8.230 nan 0.000 0.481 539 A N 0.055 122.909 122.820 0.057 0.000 1.858 539 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 539 A C 2.398 179.962 177.584 -0.033 0.000 1.190 539 A CA 2.283 54.328 52.037 0.013 0.000 0.617 539 A CB -1.045 17.957 19.000 0.002 0.000 0.827 539 A HN 0.483 nan 8.150 nan 0.000 0.443 540 V N -0.108 119.753 119.914 -0.088 0.000 2.332 540 V HA -0.258 3.861 4.120 -0.000 0.000 0.248 540 V C 2.821 178.718 176.094 -0.328 0.000 1.055 540 V CA 2.366 64.495 62.300 -0.285 0.000 1.038 540 V CB -0.921 30.585 31.823 -0.528 0.000 0.651 540 V HN 0.698 nan 8.190 nan 0.000 0.450 541 S N -0.375 115.251 115.700 -0.123 0.000 2.372 541 S HA -0.325 4.145 4.470 -0.000 0.000 0.227 541 S C 1.963 176.601 174.600 0.065 0.000 1.044 541 S CA 2.413 60.774 58.200 0.270 0.000 1.050 541 S CB -0.313 63.182 63.200 0.492 0.000 0.901 541 S HN 0.756 nan 8.310 nan 0.000 0.447 542 E N 0.638 120.856 120.200 0.031 0.000 2.106 542 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 542 E C 2.112 178.672 176.600 -0.066 0.000 0.984 542 E CA 1.173 57.567 56.400 -0.010 0.000 0.806 542 E CB -0.303 29.401 29.700 0.006 0.000 0.750 542 E HN 0.667 nan 8.360 nan 0.000 0.458 543 N N 0.089 118.735 118.700 -0.090 0.000 2.018 543 N HA -0.197 4.543 4.740 -0.000 0.000 0.196 543 N C 1.696 177.083 175.510 -0.205 0.000 1.043 543 N CA 1.249 54.205 53.050 -0.156 0.000 0.856 543 N CB -0.245 38.107 38.487 -0.225 0.000 1.042 543 N HN 0.054 nan 8.380 nan 0.000 0.423 544 F N 1.248 121.008 119.950 -0.316 0.000 2.186 544 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 544 F C 2.839 178.364 175.800 -0.458 0.000 1.090 544 F CA 1.089 58.868 58.000 -0.368 0.000 1.307 544 F CB -0.486 38.193 39.000 -0.535 0.000 1.019 544 F HN 0.113 nan 8.300 nan 0.000 0.489 545 Q N 1.141 120.691 119.800 -0.416 0.000 2.084 545 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 545 Q C 2.057 178.008 176.000 -0.081 0.000 0.978 545 Q CA 2.299 57.941 55.803 -0.268 0.000 0.844 545 Q CB -0.429 28.233 28.738 -0.127 0.000 0.898 545 Q HN 0.635 nan 8.270 nan 0.000 0.426 546 E N -0.769 119.401 120.200 -0.051 0.000 2.158 546 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 546 E C 1.843 178.456 176.600 0.022 0.000 0.982 546 E CA 0.650 57.042 56.400 -0.013 0.000 0.823 546 E CB -0.565 29.125 29.700 -0.015 0.000 0.766 546 E HN 0.475 nan 8.360 nan 0.000 0.468 547 F N 2.240 122.114 119.950 -0.126 0.000 2.126 547 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 547 F C 1.869 177.638 175.800 -0.051 0.000 1.096 547 F CA 1.385 59.319 58.000 -0.110 0.000 1.255 547 F CB -0.110 38.771 39.000 -0.199 0.000 0.997 547 F HN -0.051 nan 8.300 nan 0.000 0.479 548 L N -0.168 120.963 121.223 -0.154 0.000 2.072 548 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 548 L C 2.802 179.597 176.870 -0.125 0.000 1.079 548 L CA 1.274 55.994 54.840 -0.199 0.000 0.752 548 L CB -0.948 41.108 42.059 -0.005 0.000 0.906 548 L HN 0.323 nan 8.230 nan 0.000 0.436 549 S N 0.290 115.955 115.700 -0.058 0.000 2.355 549 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 549 S C 2.035 176.625 174.600 -0.017 0.000 1.031 549 S CA 0.974 59.161 58.200 -0.021 0.000 0.993 549 S CB -0.825 62.371 63.200 -0.007 0.000 0.859 549 S HN 0.384 nan 8.310 nan 0.000 0.453 550 L N 1.595 122.798 121.223 -0.033 0.000 2.043 550 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 550 L C 1.291 178.190 176.870 0.048 0.000 1.075 550 L CA 1.737 56.574 54.840 -0.004 0.000 0.752 550 L CB -0.357 41.698 42.059 -0.007 0.000 0.891 550 L HN 0.368 nan 8.230 nan 0.000 0.432 551 N N -0.605 118.042 118.700 -0.088 0.000 2.214 551 N HA 0.089 4.828 4.740 -0.000 0.000 0.214 551 N C 1.378 176.784 175.510 -0.173 0.000 1.132 551 N CA 0.727 53.675 53.050 -0.169 0.000 0.856 551 N CB 0.752 38.996 38.487 -0.405 0.000 1.020 551 N HN 0.410 nan 8.380 nan 0.000 0.509 552 G N 1.180 109.981 108.800 0.002 0.000 2.422 552 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 552 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 552 G C 1.263 176.177 174.900 0.024 0.000 1.140 552 G CA 0.654 45.751 45.100 -0.005 0.000 0.775 552 G HN 0.493 nan 8.290 nan 0.000 0.545 553 H N 0.218 119.256 119.070 -0.052 0.000 2.545 553 H HA 0.149 4.705 4.556 -0.000 0.000 0.282 553 H C 1.961 177.274 175.328 -0.025 0.000 1.020 553 H CA 0.619 56.647 56.048 -0.034 0.000 1.243 553 H CB -0.377 29.366 29.762 -0.030 0.000 1.377 553 H HN 0.392 nan 8.280 nan 0.000 0.581 554 L N 0.364 121.299 121.223 -0.480 0.000 2.470 554 L HA 0.220 4.560 4.340 -0.000 0.000 0.219 554 L C 0.766 177.552 176.870 -0.140 0.000 1.071 554 L CA -0.080 54.556 54.840 -0.341 0.000 0.850 554 L CB 0.201 42.006 42.059 -0.422 0.000 1.040 554 L HN 0.010 nan 8.230 nan 0.000 0.475 555 L N 0.918 122.059 121.223 -0.137 0.000 2.360 555 L HA 0.286 4.626 4.340 -0.000 0.000 0.276 555 L C 1.241 178.092 176.870 -0.030 0.000 1.121 555 L CA 0.467 55.253 54.840 -0.089 0.000 0.845 555 L CB 0.536 42.522 42.059 -0.122 0.000 1.143 555 L HN 0.335 nan 8.230 nan 0.000 0.452 556 G N 2.572 111.377 108.800 0.009 0.000 2.159 556 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.256 556 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.256 556 G C 0.290 175.358 174.900 0.281 0.000 0.977 556 G CA -0.277 44.876 45.100 0.088 0.000 0.652 556 G HN 0.576 nan 8.290 nan 0.000 0.531 557 R N 0.157 120.797 120.500 0.234 0.000 2.255 557 R HA 0.531 4.871 4.340 -0.000 0.000 0.326 557 R C 0.121 176.437 176.300 0.027 0.000 0.986 557 R CA -0.646 55.520 56.100 0.111 0.000 0.847 557 R CB 1.130 31.449 30.300 0.031 0.000 1.111 557 R HN 0.282 nan 8.270 nan 0.000 0.452 558 Q N 3.547 123.224 119.800 -0.206 0.000 2.314 558 Q HA 0.199 4.539 4.340 -0.000 0.000 0.258 558 Q C -1.902 173.959 176.000 -0.232 0.000 0.954 558 Q CA -1.386 54.126 55.803 -0.486 0.000 0.890 558 Q CB 0.746 29.170 28.738 -0.523 0.000 1.210 558 Q HN 0.322 nan 8.270 nan 0.000 0.410 559 P HA 0.072 nan 4.420 nan 0.000 0.271 559 P C -1.089 176.138 177.300 -0.121 0.000 1.220 559 P CA -0.042 62.916 63.100 -0.237 0.000 0.768 559 P CB 0.317 31.948 31.700 -0.116 0.000 0.848 560 F N 4.172 124.108 119.950 -0.023 0.000 2.518 560 F HA 0.177 4.704 4.527 -0.000 0.000 0.359 560 F C -0.977 174.806 175.800 -0.027 0.000 1.118 560 F CA -1.837 56.145 58.000 -0.030 0.000 1.287 560 F CB -0.929 38.058 39.000 -0.022 0.000 1.132 560 F HN 0.285 nan 8.300 nan 0.000 0.587 561 P HA 0.016 nan 4.420 nan 0.000 0.274 561 P C -0.542 176.805 177.300 0.079 0.000 1.231 561 P CA -0.465 62.679 63.100 0.073 0.000 0.790 561 P CB 0.592 32.296 31.700 0.007 0.000 0.951 562 N N 1.925 120.662 118.700 0.062 0.000 2.399 562 N HA 0.056 4.796 4.740 -0.000 0.000 0.259 562 N C 1.053 176.607 175.510 0.074 0.000 1.160 562 N CA 0.008 53.095 53.050 0.062 0.000 0.946 562 N CB -0.311 38.205 38.487 0.048 0.000 1.156 562 N HN 0.312 nan 8.380 nan 0.000 0.489 563 I N 3.055 123.678 120.570 0.089 0.000 2.394 563 I HA -0.222 3.947 4.170 -0.000 0.000 0.251 563 I C 1.846 178.050 176.117 0.144 0.000 1.136 563 I CA 0.557 61.951 61.300 0.156 0.000 1.425 563 I CB 0.223 38.320 38.000 0.161 0.000 1.079 563 I HN 0.357 nan 8.210 nan 0.000 0.425 564 V N 0.220 120.174 119.914 0.067 0.000 2.379 564 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 564 V C 2.427 178.523 176.094 0.003 0.000 1.044 564 V CA 1.800 64.105 62.300 0.009 0.000 1.036 564 V CB -0.534 31.285 31.823 -0.007 0.000 0.664 564 V HN 0.406 nan 8.190 nan 0.000 0.453 565 Q N 0.240 120.058 119.800 0.030 0.000 2.061 565 Q HA -0.187 4.152 4.340 -0.000 0.000 0.204 565 Q C 2.043 178.085 176.000 0.070 0.000 0.984 565 Q CA 2.008 57.832 55.803 0.035 0.000 0.846 565 Q CB -0.535 28.225 28.738 0.036 0.000 0.902 565 Q HN 0.601 nan 8.270 nan 0.000 0.421 566 L N -0.844 120.450 121.223 0.118 0.000 2.042 566 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 566 L C 2.281 179.329 176.870 0.298 0.000 1.076 566 L CA 1.292 56.256 54.840 0.205 0.000 0.749 566 L CB -0.896 41.302 42.059 0.232 0.000 0.893 566 L HN 0.464 nan 8.230 nan 0.000 0.432 567 G N -0.352 108.556 108.800 0.180 0.000 2.448 567 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 567 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 567 G C 1.566 176.421 174.900 -0.076 0.000 1.135 567 G CA 0.140 45.162 45.100 -0.130 0.000 0.784 567 G HN 0.253 nan 8.290 nan 0.000 0.543 568 L N 0.166 121.365 121.223 -0.039 0.000 2.465 568 L HA 0.010 4.350 4.340 -0.000 0.000 0.224 568 L C 1.853 178.846 176.870 0.204 0.000 1.145 568 L CA 0.031 54.873 54.840 0.004 0.000 0.834 568 L CB -0.071 41.961 42.059 -0.045 0.000 0.944 568 L HN 0.221 nan 8.230 nan 0.000 0.451 569 C N -0.714 118.677 119.300 0.152 0.000 2.697 569 C HA 0.119 4.579 4.460 -0.000 0.000 0.267 569 C C 1.179 176.241 174.990 0.121 0.000 1.278 569 C CA -0.614 58.483 59.018 0.132 0.000 1.708 569 C CB -0.893 26.912 27.740 0.108 0.000 1.860 569 C HN 0.283 nan 8.230 nan 0.000 0.589 570 E N 2.036 122.322 120.200 0.143 0.000 2.349 570 E HA 0.266 4.616 4.350 -0.000 0.000 0.262 570 E C -2.317 174.281 176.600 -0.002 0.000 1.088 570 E CA -2.078 54.365 56.400 0.070 0.000 0.899 570 E CB -0.053 29.646 29.700 -0.001 0.000 1.044 570 E HN 0.124 nan 8.360 nan 0.000 0.420 571 P HA -0.025 nan 4.420 nan 0.000 0.266 571 P C 0.482 177.606 177.300 -0.294 0.000 1.195 571 P CA 0.332 63.336 63.100 -0.160 0.000 0.768 571 P CB 0.498 32.130 31.700 -0.112 0.000 0.838 572 E N 0.997 120.907 120.200 -0.483 0.000 2.409 572 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 572 E C 1.188 177.609 176.600 -0.298 0.000 1.024 572 E CA 1.296 57.255 56.400 -0.734 0.000 0.861 572 E CB -0.023 29.275 29.700 -0.670 0.000 0.788 572 E HN 0.583 nan 8.360 nan 0.000 0.521 573 T N -2.211 112.231 114.554 -0.186 0.000 2.985 573 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 573 T C 1.244 175.897 174.700 -0.078 0.000 1.076 573 T CA 0.285 62.323 62.100 -0.103 0.000 1.135 573 T CB 0.070 68.886 68.868 -0.086 0.000 0.890 573 T HN -0.076 nan 8.240 nan 0.000 0.480 574 S N 1.196 116.840 115.700 -0.094 0.000 2.549 574 S HA 0.050 4.520 4.470 -0.000 0.000 0.286 574 S C 1.323 175.865 174.600 -0.096 0.000 1.314 574 S CA -0.460 57.672 58.200 -0.112 0.000 1.062 574 S CB 0.514 63.629 63.200 -0.141 0.000 0.865 574 S HN 0.351 nan 8.310 nan 0.000 0.498 575 E N 3.308 123.420 120.200 -0.147 0.000 2.268 575 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 575 E C 1.845 178.305 176.600 -0.233 0.000 0.995 575 E CA 0.759 57.094 56.400 -0.108 0.000 0.836 575 E CB -0.065 29.619 29.700 -0.027 0.000 0.763 575 E HN 0.593 nan 8.360 nan 0.000 0.491 576 V N 0.476 120.069 119.914 -0.536 0.000 2.307 576 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 576 V C 2.216 178.059 176.094 -0.418 0.000 1.045 576 V CA 1.886 63.730 62.300 -0.759 0.000 1.024 576 V CB -0.777 30.340 31.823 -1.177 0.000 0.651 576 V HN 0.305 nan 8.190 nan 0.000 0.449 577 Y N 0.977 121.064 120.300 -0.355 0.000 2.165 577 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 577 Y C 2.692 178.504 175.900 -0.147 0.000 1.155 577 Y CA 1.846 59.817 58.100 -0.215 0.000 1.164 577 Y CB -0.150 38.217 38.460 -0.154 0.000 0.978 577 Y HN 0.222 nan 8.280 nan 0.000 0.513 578 Q N 0.264 120.084 119.800 0.033 0.000 2.079 578 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 578 Q C 2.258 178.197 176.000 -0.102 0.000 0.974 578 Q CA 1.744 57.549 55.803 0.003 0.000 0.840 578 Q CB -0.466 28.311 28.738 0.065 0.000 0.898 578 Q HN 0.667 nan 8.270 nan 0.000 0.430 579 Q N -0.025 119.717 119.800 -0.097 0.000 2.084 579 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 579 Q C 2.039 177.958 176.000 -0.136 0.000 0.978 579 Q CA 1.344 57.105 55.803 -0.071 0.000 0.844 579 Q CB -0.114 28.627 28.738 0.004 0.000 0.898 579 Q HN 0.380 nan 8.270 nan 0.000 0.426 580 A N 1.346 124.023 122.820 -0.239 0.000 1.902 580 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 580 A C 1.968 179.379 177.584 -0.287 0.000 1.181 580 A CA 1.749 53.631 52.037 -0.257 0.000 0.623 580 A CB -0.454 18.355 19.000 -0.319 0.000 0.818 580 A HN 0.247 nan 8.150 nan 0.000 0.443 581 K N -0.386 119.755 120.400 -0.431 0.000 2.097 581 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 581 K C 1.844 178.344 176.600 -0.167 0.000 1.049 581 K CA 1.297 57.371 56.287 -0.356 0.000 0.933 581 K CB -0.290 31.962 32.500 -0.413 0.000 0.717 581 K HN 0.474 nan 8.250 nan 0.000 0.442 582 L N 0.592 121.741 121.223 -0.124 0.000 2.027 582 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 582 L C 2.840 179.679 176.870 -0.052 0.000 1.074 582 L CA 1.426 56.228 54.840 -0.063 0.000 0.745 582 L CB -0.366 41.671 42.059 -0.037 0.000 0.898 582 L HN 0.378 nan 8.230 nan 0.000 0.433 583 Q N -0.326 119.440 119.800 -0.058 0.000 2.124 583 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 583 Q C 2.262 178.239 176.000 -0.039 0.000 0.977 583 Q CA 1.569 57.350 55.803 -0.037 0.000 0.850 583 Q CB -0.038 28.683 28.738 -0.028 0.000 0.901 583 Q HN 0.530 nan 8.270 nan 0.000 0.429 584 A N 1.264 124.048 122.820 -0.061 0.000 1.865 584 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 584 A C 1.957 179.521 177.584 -0.035 0.000 1.191 584 A CA 1.833 53.840 52.037 -0.051 0.000 0.623 584 A CB -0.470 18.486 19.000 -0.074 0.000 0.826 584 A HN 0.311 nan 8.150 nan 0.000 0.444 585 K N -0.328 120.049 120.400 -0.038 0.000 2.009 585 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 585 K C 1.662 178.253 176.600 -0.016 0.000 1.049 585 K CA 1.279 57.552 56.287 -0.023 0.000 0.929 585 K CB -0.230 32.257 32.500 -0.023 0.000 0.714 585 K HN 0.714 nan 8.250 nan 0.000 0.440 586 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 586 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 586 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 586 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 586 Q HN 0.000 nan 8.270 nan 0.000 0.481