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 1oie_1_A DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGcNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVXX DATA SEQUENCE XXXXSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKcGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQE 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.015 175.900 0.192 0.000 1.272 26 Y CA 0.000 58.172 58.100 0.119 0.000 1.940 26 Y CB 0.000 38.535 38.460 0.125 0.000 1.050 27 E N 1.287 121.810 120.200 0.538 0.000 2.266 27 E HA 0.313 4.662 4.350 -0.001 0.000 0.277 27 E C -1.062 175.807 176.600 0.448 0.000 1.018 27 E CA -0.700 55.891 56.400 0.319 0.000 0.840 27 E CB 1.543 31.420 29.700 0.295 0.000 1.082 27 E HN 0.655 nan 8.360 nan 0.000 0.395 28 Q N 2.303 122.269 119.800 0.277 0.000 2.260 28 Q HA 0.076 4.415 4.340 -0.001 0.000 0.242 28 Q C -0.456 175.666 176.000 0.204 0.000 0.932 28 Q CA 0.175 56.156 55.803 0.297 0.000 0.891 28 Q CB 0.906 29.737 28.738 0.155 0.000 1.222 28 Q HN 0.604 nan 8.270 nan 0.000 0.453 29 D N 0.317 120.821 120.400 0.173 0.000 3.059 29 D HA -0.217 4.423 4.640 -0.001 0.000 0.213 29 D C -0.766 175.573 176.300 0.065 0.000 1.144 29 D CA 1.331 55.381 54.000 0.084 0.000 0.975 29 D CB -0.329 40.508 40.800 0.061 0.000 1.125 29 D HN 0.593 nan 8.370 nan 0.000 0.412 30 K N 0.851 121.315 120.400 0.106 0.000 2.205 30 K HA 0.276 4.595 4.320 -0.001 0.000 0.279 30 K C -0.515 176.143 176.600 0.097 0.000 1.027 30 K CA -0.050 56.273 56.287 0.061 0.000 0.932 30 K CB 0.868 33.371 32.500 0.004 0.000 1.032 30 K HN -0.235 nan 8.250 nan 0.000 0.466 31 T N 4.311 118.892 114.554 0.045 0.000 2.749 31 T HA 0.201 4.550 4.350 -0.001 0.000 0.295 31 T C -0.780 173.985 174.700 0.108 0.000 0.936 31 T CA -0.072 62.084 62.100 0.093 0.000 1.060 31 T CB -0.038 68.856 68.868 0.044 0.000 0.904 31 T HN 0.359 nan 8.240 nan 0.000 0.500 32 Y N 1.640 122.012 120.300 0.119 0.000 2.453 32 Y HA 0.465 5.014 4.550 -0.001 0.000 0.326 32 Y C 0.886 176.859 175.900 0.122 0.000 1.186 32 Y CA -1.073 57.105 58.100 0.130 0.000 1.200 32 Y CB 1.378 39.942 38.460 0.173 0.000 1.247 32 Y HN 0.327 nan 8.280 nan 0.000 0.482 33 K N 3.126 123.677 120.400 0.252 0.000 2.394 33 K HA 0.452 4.772 4.320 -0.001 0.000 0.260 33 K C -1.536 175.157 176.600 0.155 0.000 0.967 33 K CA -0.515 55.876 56.287 0.173 0.000 0.855 33 K CB 1.014 33.575 32.500 0.101 0.000 1.101 33 K HN 0.378 nan 8.250 nan 0.000 0.433 34 I N 2.550 123.220 120.570 0.167 0.000 2.406 34 I HA 0.248 4.417 4.170 -0.001 0.000 0.290 34 I C 0.130 176.345 176.117 0.163 0.000 0.999 34 I CA -0.597 60.779 61.300 0.127 0.000 1.124 34 I CB 1.522 39.566 38.000 0.073 0.000 1.289 34 I HN 0.444 nan 8.210 nan 0.000 0.441 35 T N 5.764 120.375 114.554 0.096 0.000 2.771 35 T HA 0.515 4.864 4.350 -0.001 0.000 0.281 35 T C -0.058 174.687 174.700 0.075 0.000 0.982 35 T CA -0.350 61.802 62.100 0.086 0.000 0.978 35 T CB 1.538 70.419 68.868 0.023 0.000 0.930 35 T HN 0.251 nan 8.240 nan 0.000 0.447 36 V N 6.126 126.120 119.914 0.134 0.000 2.347 36 V HA 0.422 4.541 4.120 -0.001 0.000 0.280 36 V C 0.016 176.178 176.094 0.114 0.000 1.021 36 V CA -0.767 61.596 62.300 0.106 0.000 0.847 36 V CB 0.797 32.720 31.823 0.167 0.000 0.990 36 V HN 0.714 nan 8.190 nan 0.000 0.444 37 L N 5.897 127.152 121.223 0.053 0.000 2.343 37 L HA 0.748 5.087 4.340 -0.001 0.000 0.275 37 L C -0.123 176.840 176.870 0.154 0.000 1.056 37 L CA -0.502 54.375 54.840 0.062 0.000 0.804 37 L CB 1.285 43.300 42.059 -0.072 0.000 1.203 37 L HN 0.939 nan 8.230 nan 0.000 0.440 38 H N -0.768 118.307 119.070 0.007 0.000 3.046 38 H HA 0.768 5.324 4.556 -0.001 0.000 0.361 38 H C -1.075 174.320 175.328 0.112 0.000 1.235 38 H CA -0.869 55.221 56.048 0.069 0.000 1.146 38 H CB 1.814 31.637 29.762 0.101 0.000 1.859 38 H HN 0.571 nan 8.280 nan 0.000 0.548 39 T N 0.290 114.937 114.554 0.155 0.000 2.804 39 T HA 0.605 4.954 4.350 -0.001 0.000 0.290 39 T C -1.032 173.778 174.700 0.185 0.000 1.099 39 T CA -0.971 61.202 62.100 0.121 0.000 1.011 39 T CB 2.080 71.061 68.868 0.189 0.000 1.291 39 T HN 1.093 nan 8.240 nan 0.000 0.523 40 N N -1.001 117.796 118.700 0.162 0.000 3.043 40 N HA 0.241 4.980 4.740 -0.001 0.000 0.243 40 N C -1.825 173.783 175.510 0.163 0.000 1.347 40 N CA -0.681 52.471 53.050 0.171 0.000 0.896 40 N CB 0.856 39.465 38.487 0.204 0.000 1.501 40 N HN 0.841 nan 8.380 nan 0.000 0.504 41 D N -0.385 120.105 120.400 0.149 0.000 2.689 41 D HA -0.211 4.428 4.640 -0.001 0.000 0.237 41 D C 0.733 177.127 176.300 0.158 0.000 1.148 41 D CA 1.205 55.264 54.000 0.099 0.000 0.656 41 D CB -1.329 39.638 40.800 0.279 0.000 1.050 41 D HN 0.713 nan 8.370 nan 0.000 0.426 42 H N 0.729 119.791 119.070 -0.014 0.000 2.352 42 H HA -0.136 4.419 4.556 -0.001 0.000 0.299 42 H C 0.866 176.330 175.328 0.227 0.000 1.097 42 H CA 2.322 58.407 56.048 0.061 0.000 1.311 42 H CB 0.147 29.871 29.762 -0.063 0.000 1.377 42 H HN 0.467 nan 8.280 nan 0.000 0.504 43 H N -0.846 118.259 119.070 0.058 0.000 2.626 43 H HA -0.158 4.397 4.556 -0.001 0.000 0.317 43 H C 1.429 176.656 175.328 -0.169 0.000 1.140 43 H CA 1.254 57.308 56.048 0.010 0.000 1.134 43 H CB -1.657 28.174 29.762 0.114 0.000 1.486 43 H HN 0.836 nan 8.280 nan 0.000 0.417 44 G N -0.165 108.539 108.800 -0.159 0.000 2.159 44 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.256 44 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.256 44 G C 0.194 174.855 174.900 -0.399 0.000 0.977 44 G CA 0.470 45.477 45.100 -0.155 0.000 0.652 44 G HN 0.685 nan 8.290 nan 0.000 0.531 45 H N 0.392 119.044 119.070 -0.697 0.000 2.794 45 H HA 0.378 4.933 4.556 -0.001 0.000 0.256 45 H C 1.713 177.005 175.328 -0.060 0.000 1.637 45 H CA 0.118 55.877 56.048 -0.483 0.000 1.222 45 H CB -0.842 28.590 29.762 -0.549 0.000 1.545 45 H HN 0.570 nan 8.280 nan 0.000 0.518 46 F N -2.133 117.941 119.950 0.207 0.000 2.234 46 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 46 F C 0.849 176.846 175.800 0.327 0.000 1.087 46 F CA -0.047 58.145 58.000 0.320 0.000 1.340 46 F CB -0.049 39.070 39.000 0.198 0.000 1.031 46 F HN 0.227 nan 8.300 nan 0.000 0.500 47 W N 4.781 125.736 121.300 -0.575 0.000 2.516 47 W HA 0.335 4.993 4.660 -0.003 0.000 0.343 47 W C 0.205 176.638 176.519 -0.143 0.000 1.094 47 W CA -1.466 55.664 57.345 -0.359 0.000 1.250 47 W CB 1.085 30.159 29.460 -0.643 0.000 1.308 47 W HN -0.063 nan 8.180 nan 0.000 0.588 48 R N 3.001 123.209 120.500 -0.487 0.000 2.734 48 R HA -0.004 4.335 4.340 -0.001 0.000 0.266 48 R C 0.297 176.464 176.300 -0.223 0.000 1.044 48 R CA -0.149 55.726 56.100 -0.374 0.000 1.128 48 R CB 0.142 30.144 30.300 -0.497 0.000 1.010 48 R HN 0.469 nan 8.270 nan 0.000 0.461 49 N N 0.567 119.056 118.700 -0.351 0.000 2.366 49 N HA -0.102 4.637 4.740 -0.001 0.000 0.277 49 N C 0.373 175.729 175.510 -0.256 0.000 1.275 49 N CA -0.043 52.852 53.050 -0.259 0.000 0.964 49 N CB 0.303 38.590 38.487 -0.333 0.000 1.167 49 N HN 0.829 nan 8.380 nan 0.000 0.568 50 E N -1.679 118.318 120.200 -0.339 0.000 2.478 50 E HA -0.139 4.210 4.350 -0.001 0.000 0.198 50 E C -0.058 176.266 176.600 -0.459 0.000 1.046 50 E CA 0.837 56.998 56.400 -0.398 0.000 0.870 50 E CB -0.498 28.899 29.700 -0.505 0.000 0.818 50 E HN 0.629 nan 8.360 nan 0.000 0.527 51 Y N 0.194 120.432 120.300 -0.104 0.000 2.555 51 Y HA 0.401 4.950 4.550 -0.002 0.000 0.259 51 Y C 1.477 177.291 175.900 -0.142 0.000 1.179 51 Y CA -0.378 57.660 58.100 -0.103 0.000 1.230 51 Y CB 0.855 39.263 38.460 -0.086 0.000 1.146 51 Y HN 0.183 nan 8.280 nan 0.000 0.526 52 G N 0.254 108.993 108.800 -0.102 0.000 2.143 52 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.248 52 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.248 52 G C 0.038 174.815 174.900 -0.206 0.000 0.991 52 G CA 0.007 45.016 45.100 -0.151 0.000 0.689 52 G HN 0.422 nan 8.290 nan 0.000 0.522 53 E N -0.279 119.729 120.200 -0.320 0.000 2.349 53 E HA 0.503 4.852 4.350 -0.001 0.000 0.265 53 E C 1.217 177.420 176.600 -0.662 0.000 1.064 53 E CA -0.450 55.684 56.400 -0.444 0.000 0.886 53 E CB 0.567 29.948 29.700 -0.532 0.000 1.036 53 E HN 0.888 nan 8.360 nan 0.000 0.413 54 Y N 0.235 120.522 120.300 -0.022 0.000 1.587 54 Y HA -0.356 4.194 4.550 -0.000 0.000 0.174 54 Y C 0.618 176.497 175.900 -0.036 0.000 0.680 54 Y CA 0.551 58.641 58.100 -0.017 0.000 0.879 54 Y CB -1.903 36.563 38.460 0.011 0.000 0.643 54 Y HN 0.978 nan 8.280 nan 0.000 0.813 55 G N -1.349 107.665 108.800 0.357 0.000 2.692 55 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.686 55 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.686 55 G C -0.220 174.776 174.900 0.159 0.000 1.243 55 G CA -0.364 44.844 45.100 0.180 0.000 0.782 55 G HN 1.240 nan 8.290 nan 0.000 0.625 56 L N 0.963 122.301 121.223 0.193 0.000 2.376 56 L HA 0.105 4.444 4.340 -0.001 0.000 0.219 56 L C 3.119 180.038 176.870 0.083 0.000 1.133 56 L CA 1.630 56.562 54.840 0.153 0.000 0.816 56 L CB -0.554 41.609 42.059 0.174 0.000 0.933 56 L HN 0.881 nan 8.230 nan 0.000 0.449 57 A N 0.302 123.140 122.820 0.029 0.000 1.898 57 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 57 A C 2.546 180.119 177.584 -0.019 0.000 1.181 57 A CA 1.553 53.584 52.037 -0.010 0.000 0.620 57 A CB -0.481 18.466 19.000 -0.088 0.000 0.819 57 A HN 0.359 nan 8.150 nan 0.000 0.442 58 A N -0.906 121.896 122.820 -0.030 0.000 1.929 58 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 58 A C 2.166 179.754 177.584 0.006 0.000 1.176 58 A CA 1.614 53.639 52.037 -0.020 0.000 0.628 58 A CB -0.543 18.441 19.000 -0.026 0.000 0.816 58 A HN 0.631 nan 8.150 nan 0.000 0.444 59 Q N -0.236 119.584 119.800 0.033 0.000 2.096 59 Q HA -0.279 4.060 4.340 -0.001 0.000 0.204 59 Q C 2.065 178.072 176.000 0.011 0.000 0.982 59 Q CA 2.154 57.979 55.803 0.036 0.000 0.850 59 Q CB -0.117 28.667 28.738 0.078 0.000 0.901 59 Q HN 0.532 nan 8.270 nan 0.000 0.422 60 K N -0.149 120.262 120.400 0.019 0.000 2.009 60 K HA -0.129 4.191 4.320 -0.001 0.000 0.210 60 K C 1.901 178.497 176.600 -0.006 0.000 1.049 60 K CA 2.398 58.690 56.287 0.008 0.000 0.929 60 K CB -0.775 31.741 32.500 0.025 0.000 0.714 60 K HN 0.171 nan 8.250 nan 0.000 0.440 61 T N 1.652 116.203 114.554 -0.005 0.000 2.665 61 T HA -0.171 4.178 4.350 -0.001 0.000 0.268 61 T C 1.614 176.304 174.700 -0.016 0.000 1.035 61 T CA 1.500 63.594 62.100 -0.010 0.000 1.151 61 T CB -0.410 68.450 68.868 -0.013 0.000 0.862 61 T HN 0.217 nan 8.240 nan 0.000 0.438 62 L N 1.241 122.453 121.223 -0.017 0.000 1.989 62 L HA -0.056 4.284 4.340 -0.001 0.000 0.211 62 L C 2.472 179.320 176.870 -0.037 0.000 1.071 62 L CA 1.662 56.488 54.840 -0.023 0.000 0.749 62 L CB -0.898 41.151 42.059 -0.018 0.000 0.890 62 L HN 0.098 nan 8.230 nan 0.000 0.431 63 V N -0.160 119.725 119.914 -0.048 0.000 2.427 63 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 63 V C 2.277 178.337 176.094 -0.057 0.000 1.051 63 V CA 1.784 64.040 62.300 -0.073 0.000 1.048 63 V CB -0.789 30.963 31.823 -0.118 0.000 0.666 63 V HN 0.445 nan 8.190 nan 0.000 0.456 64 D N 0.730 121.106 120.400 -0.039 0.000 2.149 64 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 64 D C 2.184 178.470 176.300 -0.023 0.000 0.990 64 D CA 1.671 55.656 54.000 -0.026 0.000 0.839 64 D CB -0.518 40.273 40.800 -0.014 0.000 0.948 64 D HN 0.473 nan 8.370 nan 0.000 0.460 65 G N 0.289 109.074 108.800 -0.024 0.000 2.403 65 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 65 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 65 G C 1.788 176.673 174.900 -0.026 0.000 1.154 65 G CA 0.130 45.218 45.100 -0.021 0.000 0.784 65 G HN 0.260 nan 8.290 nan 0.000 0.538 66 I N 0.123 120.672 120.570 -0.034 0.000 2.315 66 I HA -0.111 4.059 4.170 -0.001 0.000 0.248 66 I C 2.997 179.094 176.117 -0.033 0.000 1.117 66 I CA 0.737 62.014 61.300 -0.038 0.000 1.404 66 I CB -0.125 37.845 38.000 -0.051 0.000 1.071 66 I HN 0.060 nan 8.210 nan 0.000 0.419 67 R N 0.816 121.295 120.500 -0.035 0.000 2.073 67 R HA -0.218 4.121 4.340 -0.001 0.000 0.234 67 R C 2.347 178.637 176.300 -0.016 0.000 1.134 67 R CA 1.615 57.698 56.100 -0.027 0.000 0.952 67 R CB -0.367 29.916 30.300 -0.028 0.000 0.850 67 R HN 0.302 nan 8.270 nan 0.000 0.433 68 K N 1.248 121.639 120.400 -0.014 0.000 2.057 68 K HA -0.215 4.105 4.320 -0.001 0.000 0.207 68 K C 2.054 178.649 176.600 -0.008 0.000 1.049 68 K CA 1.705 57.987 56.287 -0.008 0.000 0.931 68 K CB -0.011 32.485 32.500 -0.008 0.000 0.714 68 K HN 0.169 nan 8.250 nan 0.000 0.440 69 E N 0.286 120.479 120.200 -0.012 0.000 2.051 69 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 69 E C 1.862 178.457 176.600 -0.009 0.000 0.991 69 E CA 1.438 57.831 56.400 -0.012 0.000 0.799 69 E CB 0.107 29.797 29.700 -0.018 0.000 0.748 69 E HN 0.200 nan 8.360 nan 0.000 0.449 70 V N 1.156 121.064 119.914 -0.009 0.000 2.453 70 V HA -0.170 3.950 4.120 -0.001 0.000 0.247 70 V C 2.451 178.548 176.094 0.005 0.000 1.048 70 V CA 1.585 63.884 62.300 -0.002 0.000 1.049 70 V CB -0.499 31.322 31.823 -0.003 0.000 0.672 70 V HN 0.423 nan 8.190 nan 0.000 0.457 71 A N -0.009 122.813 122.820 0.004 0.000 1.969 71 A HA -0.025 4.295 4.320 -0.001 0.000 0.218 71 A C 2.359 179.947 177.584 0.007 0.000 1.169 71 A CA 1.732 53.774 52.037 0.008 0.000 0.635 71 A CB -0.553 18.452 19.000 0.008 0.000 0.810 71 A HN 0.544 nan 8.150 nan 0.000 0.445 72 A N -0.125 122.697 122.820 0.003 0.000 2.015 72 A HA -0.072 4.247 4.320 -0.001 0.000 0.219 72 A C 1.626 179.211 177.584 0.002 0.000 1.163 72 A CA 1.313 53.351 52.037 0.002 0.000 0.646 72 A CB -0.323 18.677 19.000 -0.001 0.000 0.806 72 A HN 0.605 nan 8.150 nan 0.000 0.448 73 E N -0.989 119.212 120.200 0.002 0.000 2.445 73 E HA 0.288 4.638 4.350 -0.001 0.000 0.189 73 E C 1.080 177.684 176.600 0.007 0.000 1.069 73 E CA 0.165 56.567 56.400 0.003 0.000 0.871 73 E CB -0.190 29.512 29.700 0.002 0.000 0.991 73 E HN 0.661 nan 8.360 nan 0.000 0.481 74 G N 1.192 109.997 108.800 0.009 0.000 2.186 74 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.266 74 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.266 74 G C 0.615 175.531 174.900 0.028 0.000 0.982 74 G CA 0.173 45.281 45.100 0.013 0.000 0.670 74 G HN 0.508 nan 8.290 nan 0.000 0.533 75 G N -0.987 107.832 108.800 0.033 0.000 2.535 75 G HA2 0.601 4.561 3.960 -0.001 0.000 0.282 75 G HA3 0.601 4.561 3.960 -0.001 0.000 0.282 75 G C -0.042 174.888 174.900 0.051 0.000 1.350 75 G CA 0.552 45.684 45.100 0.053 0.000 1.039 75 G HN 0.818 nan 8.290 nan 0.000 0.509 76 S N -1.910 113.824 115.700 0.057 0.000 2.542 76 S HA 0.615 5.084 4.470 -0.001 0.000 0.293 76 S C -0.660 173.949 174.600 0.015 0.000 1.089 76 S CA -0.434 57.788 58.200 0.038 0.000 0.961 76 S CB 2.032 65.260 63.200 0.046 0.000 1.062 76 S HN 0.451 nan 8.310 nan 0.000 0.483 77 V N 2.918 122.825 119.914 -0.011 0.000 2.715 77 V HA 0.666 4.785 4.120 -0.001 0.000 0.310 77 V C -1.037 175.007 176.094 -0.084 0.000 1.054 77 V CA -0.685 61.592 62.300 -0.038 0.000 0.928 77 V CB 1.760 33.555 31.823 -0.048 0.000 1.007 77 V HN 0.692 nan 8.190 nan 0.000 0.437 78 L N 4.512 125.670 121.223 -0.108 0.000 2.436 78 L HA 0.708 5.047 4.340 -0.001 0.000 0.268 78 L C -1.323 175.444 176.870 -0.171 0.000 0.974 78 L CA -0.380 54.344 54.840 -0.193 0.000 0.826 78 L CB 1.796 43.730 42.059 -0.209 0.000 1.291 78 L HN 0.612 nan 8.230 nan 0.000 0.406 79 L N 5.888 126.974 121.223 -0.230 0.000 2.343 79 L HA 0.701 5.040 4.340 -0.001 0.000 0.278 79 L C -1.692 175.079 176.870 -0.165 0.000 0.996 79 L CA -0.110 54.577 54.840 -0.256 0.000 0.831 79 L CB 1.219 43.005 42.059 -0.455 0.000 1.232 79 L HN 0.538 nan 8.230 nan 0.000 0.413 80 L N 3.306 124.521 121.223 -0.012 0.000 2.354 80 L HA 0.662 5.002 4.340 -0.001 0.000 0.269 80 L C -0.117 176.911 176.870 0.264 0.000 1.005 80 L CA -0.679 54.230 54.840 0.115 0.000 0.819 80 L CB 2.136 44.244 42.059 0.081 0.000 1.311 80 L HN 0.621 nan 8.230 nan 0.000 0.423 81 S N 0.045 115.888 115.700 0.238 0.000 2.501 81 S HA 0.525 4.995 4.470 -0.001 0.000 0.301 81 S C 0.729 175.426 174.600 0.162 0.000 1.096 81 S CA -0.256 58.046 58.200 0.171 0.000 1.063 81 S CB 1.655 64.816 63.200 -0.066 0.000 1.042 81 S HN 0.798 nan 8.310 nan 0.000 0.494 82 G N 2.050 110.965 108.800 0.192 0.000 3.088 82 G HA2 0.480 4.439 3.960 -0.001 0.000 0.212 82 G HA3 0.480 4.439 3.960 -0.001 0.000 0.212 82 G C 0.900 175.974 174.900 0.289 0.000 1.173 82 G CA 0.208 45.446 45.100 0.231 0.000 0.779 82 G HN 1.530 nan 8.290 nan 0.000 0.540 83 G N 0.119 109.015 108.800 0.160 0.000 2.698 83 G HA2 0.041 4.000 3.960 -0.001 0.000 0.225 83 G HA3 0.041 4.000 3.960 -0.001 0.000 0.225 83 G C -0.248 174.645 174.900 -0.012 0.000 1.345 83 G CA -0.133 45.005 45.100 0.063 0.000 0.871 83 G HN 0.715 nan 8.290 nan 0.000 0.540 84 D N -1.256 119.037 120.400 -0.179 0.000 2.848 84 D HA -0.128 4.511 4.640 -0.001 0.000 0.245 84 D C 1.454 177.583 176.300 -0.284 0.000 1.122 84 D CA 0.976 54.832 54.000 -0.240 0.000 0.769 84 D CB -0.704 39.948 40.800 -0.247 0.000 1.025 84 D HN 0.580 nan 8.370 nan 0.000 0.423 85 I N -0.496 120.007 120.570 -0.111 0.000 2.480 85 I HA -0.051 4.119 4.170 -0.001 0.000 0.251 85 I C 1.418 177.547 176.117 0.020 0.000 1.124 85 I CA 0.737 61.983 61.300 -0.090 0.000 1.444 85 I CB -0.456 37.332 38.000 -0.354 0.000 1.098 85 I HN 0.211 nan 8.210 nan 0.000 0.428 86 N N 1.924 120.687 118.700 0.104 0.000 2.508 86 N HA 0.089 4.828 4.740 -0.001 0.000 0.264 86 N C -0.329 175.337 175.510 0.261 0.000 1.216 86 N CA 0.713 53.889 53.050 0.209 0.000 0.943 86 N CB 0.670 39.316 38.487 0.265 0.000 1.113 86 N HN 0.127 nan 8.380 nan 0.000 0.447 87 T N -0.027 114.682 114.554 0.259 0.000 0.787 87 T HA 0.030 4.380 4.350 -0.001 0.000 0.750 87 T C 0.680 175.482 174.700 0.169 0.000 0.987 87 T CA 0.641 62.899 62.100 0.264 0.000 3.957 87 T CB -1.249 67.831 68.868 0.352 0.000 2.240 87 T HN 0.967 nan 8.240 nan 0.000 0.395 88 G N 0.863 109.701 108.800 0.063 0.000 3.578 88 G HA2 0.317 4.277 3.960 -0.001 0.000 0.220 88 G HA3 0.317 4.277 3.960 -0.001 0.000 0.220 88 G C -0.386 174.385 174.900 -0.215 0.000 0.933 88 G CA 0.219 45.277 45.100 -0.069 0.000 0.847 88 G HN 1.322 nan 8.290 nan 0.000 0.612 89 V N 1.322 121.108 119.914 -0.212 0.000 2.612 89 V HA 0.379 4.498 4.120 -0.001 0.000 0.301 89 V C -1.637 174.385 176.094 -0.120 0.000 1.059 89 V CA -1.140 60.983 62.300 -0.293 0.000 0.886 89 V CB 2.461 33.957 31.823 -0.546 0.000 1.007 89 V HN -0.016 nan 8.190 nan 0.000 0.426 90 P HA -0.150 nan 4.420 nan 0.000 0.216 90 P C 1.173 178.466 177.300 -0.012 0.000 1.150 90 P CA 1.289 64.346 63.100 -0.071 0.000 0.843 90 P CB 0.472 31.929 31.700 -0.406 0.000 0.787 91 E N -1.174 119.003 120.200 -0.039 0.000 2.208 91 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 91 E C 2.134 178.885 176.600 0.252 0.000 0.988 91 E CA 1.002 57.449 56.400 0.078 0.000 0.828 91 E CB -0.757 28.974 29.700 0.051 0.000 0.763 91 E HN 0.144 nan 8.360 nan 0.000 0.478 92 S N 0.312 116.186 115.700 0.289 0.000 2.325 92 S HA -0.141 4.328 4.470 -0.001 0.000 0.214 92 S C 1.346 176.042 174.600 0.160 0.000 1.031 92 S CA 1.118 59.481 58.200 0.273 0.000 0.972 92 S CB -0.313 63.048 63.200 0.268 0.000 0.908 92 S HN 0.121 nan 8.310 nan 0.000 0.453 93 D N 1.778 122.264 120.400 0.144 0.000 2.170 93 D HA -0.152 4.487 4.640 -0.001 0.000 0.193 93 D C 1.841 178.236 176.300 0.159 0.000 1.004 93 D CA 1.226 55.324 54.000 0.163 0.000 0.860 93 D CB -0.654 40.254 40.800 0.180 0.000 0.931 93 D HN 0.405 nan 8.370 nan 0.000 0.448 94 L N -0.337 120.978 121.223 0.154 0.000 2.353 94 L HA -0.122 4.217 4.340 -0.001 0.000 0.220 94 L C 1.598 178.541 176.870 0.123 0.000 1.133 94 L CA 0.974 55.898 54.840 0.141 0.000 0.798 94 L CB -0.176 41.965 42.059 0.136 0.000 0.922 94 L HN -0.005 nan 8.230 nan 0.000 0.445 95 Q N -1.137 118.738 119.800 0.125 0.000 2.135 95 Q HA 0.062 4.401 4.340 -0.001 0.000 0.231 95 Q C -0.659 175.426 176.000 0.140 0.000 0.817 95 Q CA -0.265 55.609 55.803 0.118 0.000 1.073 95 Q CB 0.906 29.708 28.738 0.107 0.000 1.176 95 Q HN 0.170 nan 8.270 nan 0.000 0.478 96 D N 0.504 121.008 120.400 0.173 0.000 2.751 96 D HA -0.257 4.382 4.640 -0.001 0.000 0.233 96 D C 0.364 176.846 176.300 0.303 0.000 1.149 96 D CA 1.099 55.241 54.000 0.237 0.000 0.682 96 D CB -1.252 39.716 40.800 0.279 0.000 1.068 96 D HN 0.563 nan 8.370 nan 0.000 0.429 97 A N -0.679 122.261 122.820 0.200 0.000 2.790 97 A HA -0.398 3.921 4.320 -0.001 0.000 0.277 97 A C 1.588 179.223 177.584 0.085 0.000 1.435 97 A CA 2.378 54.523 52.037 0.181 0.000 0.877 97 A CB -1.891 17.303 19.000 0.324 0.000 1.007 97 A HN 0.611 nan 8.150 nan 0.000 0.613 98 E N 0.019 120.080 120.200 -0.232 0.000 2.058 98 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 98 E C -0.363 175.675 176.600 -0.936 0.000 0.997 98 E CA 1.423 57.303 56.400 -0.867 0.000 0.801 98 E CB -0.430 28.533 29.700 -1.227 0.000 0.746 98 E HN 0.631 nan 8.360 nan 0.000 0.450 99 P HA -0.156 nan 4.420 nan 0.000 0.216 99 P C 0.312 177.190 177.300 -0.703 0.000 1.150 99 P CA 1.784 64.017 63.100 -1.444 0.000 0.837 99 P CB -0.125 30.399 31.700 -1.959 0.000 0.786 100 D N -0.915 119.244 120.400 -0.401 0.000 2.097 100 D HA -0.127 4.512 4.640 -0.001 0.000 0.197 100 D C 1.756 177.884 176.300 -0.286 0.000 0.984 100 D CA 1.026 54.913 54.000 -0.188 0.000 0.826 100 D CB -0.786 39.977 40.800 -0.062 0.000 0.973 100 D HN 0.099 nan 8.370 nan 0.000 0.460 101 F N 0.999 120.878 119.950 -0.118 0.000 2.146 101 F HA 0.008 4.534 4.527 -0.001 0.000 0.298 101 F C 2.389 178.169 175.800 -0.033 0.000 1.096 101 F CA 0.961 58.958 58.000 -0.005 0.000 1.275 101 F CB -0.199 38.843 39.000 0.071 0.000 1.008 101 F HN -0.196 nan 8.300 nan 0.000 0.480 102 R N -0.156 120.310 120.500 -0.056 0.000 2.081 102 R HA -0.108 4.232 4.340 -0.001 0.000 0.235 102 R C 2.573 178.867 176.300 -0.010 0.000 1.131 102 R CA 1.246 57.298 56.100 -0.080 0.000 0.960 102 R CB -1.251 28.901 30.300 -0.246 0.000 0.856 102 R HN 0.396 nan 8.270 nan 0.000 0.436 103 G N 0.842 109.603 108.800 -0.065 0.000 2.422 103 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.218 103 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.218 103 G C 1.433 176.375 174.900 0.070 0.000 1.146 103 G CA 0.611 45.718 45.100 0.013 0.000 0.769 103 G HN 0.169 nan 8.290 nan 0.000 0.547 104 M N 0.640 120.272 119.600 0.053 0.000 2.213 104 M HA -0.054 4.425 4.480 -0.001 0.000 0.263 104 M C 2.340 178.838 176.300 0.330 0.000 1.062 104 M CA 0.918 56.303 55.300 0.141 0.000 1.105 104 M CB -0.260 32.284 32.600 -0.093 0.000 1.385 104 M HN 0.124 nan 8.290 nan 0.000 0.417 105 N N 0.640 119.549 118.700 0.348 0.000 2.120 105 N HA -0.141 4.598 4.740 -0.001 0.000 0.188 105 N C 1.560 177.192 175.510 0.203 0.000 1.024 105 N CA 1.180 54.426 53.050 0.326 0.000 0.852 105 N CB -0.486 38.145 38.487 0.240 0.000 1.003 105 N HN 0.218 nan 8.380 nan 0.000 0.424 106 L N 0.795 122.106 121.223 0.146 0.000 2.156 106 L HA 0.020 4.359 4.340 -0.001 0.000 0.208 106 L C 1.845 178.766 176.870 0.086 0.000 1.095 106 L CA 0.998 55.899 54.840 0.103 0.000 0.770 106 L CB -0.325 41.784 42.059 0.084 0.000 0.914 106 L HN -0.099 nan 8.230 nan 0.000 0.439 107 V N 0.162 120.138 119.914 0.102 0.000 2.548 107 V HA 0.139 4.258 4.120 -0.001 0.000 0.249 107 V C 1.533 177.615 176.094 -0.020 0.000 1.055 107 V CA 1.007 63.333 62.300 0.043 0.000 1.065 107 V CB -1.172 30.695 31.823 0.075 0.000 0.681 107 V HN 0.681 nan 8.190 nan 0.000 0.462 108 G N -0.826 108.006 108.800 0.055 0.000 2.325 108 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.248 108 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.248 108 G C -0.305 174.560 174.900 -0.059 0.000 1.108 108 G CA -0.440 44.684 45.100 0.040 0.000 0.881 108 G HN 0.364 nan 8.290 nan 0.000 0.494 109 Y N 0.293 120.481 120.300 -0.187 0.000 2.578 109 Y HA 0.205 4.754 4.550 -0.002 0.000 0.339 109 Y C 1.665 177.417 175.900 -0.247 0.000 1.231 109 Y CA 0.680 58.550 58.100 -0.384 0.000 1.461 109 Y CB 0.637 38.558 38.460 -0.899 0.000 1.323 109 Y HN 0.255 nan 8.280 nan 0.000 0.590 110 D N 0.954 121.315 120.400 -0.065 0.000 2.324 110 D HA 0.289 4.928 4.640 -0.001 0.000 0.212 110 D C 0.012 176.478 176.300 0.277 0.000 0.984 110 D CA 0.850 54.870 54.000 0.033 0.000 0.885 110 D CB 0.500 41.069 40.800 -0.385 0.000 0.996 110 D HN 0.492 nan 8.370 nan 0.000 0.505 111 A N 0.373 123.294 122.820 0.168 0.000 2.583 111 A HA 0.591 4.910 4.320 -0.001 0.000 0.292 111 A C -1.411 176.293 177.584 0.200 0.000 1.045 111 A CA -0.757 51.476 52.037 0.327 0.000 0.672 111 A CB 1.117 20.350 19.000 0.389 0.000 1.283 111 A HN 0.070 nan 8.150 nan 0.000 0.419 112 M N 0.654 120.423 119.600 0.282 0.000 2.550 112 M HA 0.887 5.367 4.480 -0.001 0.000 0.292 112 M C -0.202 176.215 176.300 0.195 0.000 1.221 112 M CA -0.604 54.815 55.300 0.199 0.000 0.873 112 M CB 2.129 34.837 32.600 0.179 0.000 1.727 112 M HN 1.613 nan 8.290 nan 0.000 0.459 113 A N 2.545 125.464 122.820 0.165 0.000 2.340 113 A HA 0.660 4.979 4.320 -0.001 0.000 0.268 113 A C -0.257 177.389 177.584 0.103 0.000 1.100 113 A CA -0.672 51.453 52.037 0.148 0.000 0.803 113 A CB 0.149 19.257 19.000 0.180 0.000 1.043 113 A HN 0.867 nan 8.150 nan 0.000 0.488 114 I N 2.162 122.761 120.570 0.047 0.000 2.471 114 I HA 0.277 4.446 4.170 -0.001 0.000 0.286 114 I C 1.214 177.334 176.117 0.005 0.000 1.079 114 I CA 0.263 61.551 61.300 -0.020 0.000 1.398 114 I CB 0.851 38.753 38.000 -0.163 0.000 1.403 114 I HN 0.728 nan 8.210 nan 0.000 0.530 115 G N 4.098 112.810 108.800 -0.146 0.000 2.488 115 G HA2 0.098 4.057 3.960 -0.001 0.000 0.318 115 G HA3 0.098 4.057 3.960 -0.001 0.000 0.318 115 G C 0.898 175.754 174.900 -0.074 0.000 1.188 115 G CA -0.609 44.171 45.100 -0.534 0.000 0.944 115 G HN 0.729 nan 8.290 nan 0.000 0.495 116 N N -0.579 118.083 118.700 -0.062 0.000 2.223 116 N HA -0.179 4.560 4.740 -0.001 0.000 0.185 116 N C 1.214 176.824 175.510 0.166 0.000 1.016 116 N CA 1.373 54.484 53.050 0.103 0.000 0.863 116 N CB -0.454 38.009 38.487 -0.040 0.000 0.983 116 N HN 0.627 nan 8.380 nan 0.000 0.429 117 H N 0.052 119.228 119.070 0.177 0.000 2.547 117 H HA 0.093 4.649 4.556 -0.001 0.000 0.272 117 H C 0.795 176.241 175.328 0.196 0.000 0.989 117 H CA 0.571 56.757 56.048 0.229 0.000 1.214 117 H CB 0.356 30.264 29.762 0.243 0.000 1.389 117 H HN 0.280 nan 8.280 nan 0.000 0.577 118 E N 0.100 120.409 120.200 0.181 0.000 2.409 118 E HA -0.075 4.274 4.350 -0.001 0.000 0.198 118 E C 0.517 177.001 176.600 -0.193 0.000 1.024 118 E CA 0.426 56.817 56.400 -0.014 0.000 0.861 118 E CB -0.219 29.376 29.700 -0.175 0.000 0.788 118 E HN 0.359 nan 8.360 nan 0.000 0.521 119 F N -0.204 119.862 119.950 0.194 0.000 2.647 119 F HA 0.155 4.681 4.527 -0.001 0.000 0.300 119 F C 0.976 176.905 175.800 0.216 0.000 1.106 119 F CA -0.217 57.901 58.000 0.197 0.000 1.313 119 F CB 0.571 39.789 39.000 0.363 0.000 1.007 119 F HN -0.121 nan 8.300 nan 0.000 0.536 120 D N -0.315 120.305 120.400 0.366 0.000 2.347 120 D HA -0.022 4.617 4.640 -0.001 0.000 0.215 120 D C 0.462 176.952 176.300 0.317 0.000 0.976 120 D CA 0.779 55.038 54.000 0.432 0.000 0.884 120 D CB 0.079 41.202 40.800 0.539 0.000 0.915 120 D HN 0.208 nan 8.370 nan 0.000 0.526 121 N N 0.414 119.146 118.700 0.053 0.000 2.402 121 N HA 0.320 5.060 4.740 -0.001 0.000 0.294 121 N C -2.614 172.412 175.510 -0.807 0.000 1.203 121 N CA -1.400 51.471 53.050 -0.299 0.000 0.838 121 N CB 1.798 40.196 38.487 -0.148 0.000 1.306 121 N HN -0.187 nan 8.380 nan 0.000 0.510 122 P HA 0.005 nan 4.420 nan 0.000 0.270 122 P C 1.153 178.229 177.300 -0.374 0.000 1.227 122 P CA -0.389 62.173 63.100 -0.896 0.000 0.788 122 P CB 0.757 32.118 31.700 -0.564 0.000 0.926 123 L N 1.857 122.969 121.223 -0.186 0.000 2.191 123 L HA -0.133 4.206 4.340 -0.001 0.000 0.212 123 L C 1.993 178.773 176.870 -0.151 0.000 1.103 123 L CA 2.162 56.940 54.840 -0.103 0.000 0.769 123 L CB -1.612 40.449 42.059 0.004 0.000 0.908 123 L HN 0.327 nan 8.230 nan 0.000 0.438 124 T N -1.101 113.356 114.554 -0.163 0.000 2.653 124 T HA -0.240 4.109 4.350 -0.001 0.000 0.268 124 T C 1.909 176.473 174.700 -0.228 0.000 1.035 124 T CA 1.994 63.989 62.100 -0.175 0.000 1.154 124 T CB -0.499 68.278 68.868 -0.153 0.000 0.862 124 T HN 0.245 nan 8.240 nan 0.000 0.441 125 V N 1.069 120.842 119.914 -0.236 0.000 2.323 125 V HA -0.059 4.060 4.120 -0.001 0.000 0.244 125 V C 2.361 178.273 176.094 -0.304 0.000 1.041 125 V CA 1.223 63.372 62.300 -0.253 0.000 1.025 125 V CB -0.648 31.066 31.823 -0.180 0.000 0.656 125 V HN 0.313 nan 8.190 nan 0.000 0.451 126 L N 0.179 121.244 121.223 -0.264 0.000 2.046 126 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 126 L C 2.588 179.295 176.870 -0.271 0.000 1.077 126 L CA 1.887 56.563 54.840 -0.273 0.000 0.747 126 L CB -0.731 41.166 42.059 -0.270 0.000 0.896 126 L HN 0.128 nan 8.230 nan 0.000 0.432 127 R N -0.408 119.956 120.500 -0.227 0.000 2.105 127 R HA -0.182 4.157 4.340 -0.001 0.000 0.239 127 R C 2.239 178.315 176.300 -0.373 0.000 1.135 127 R CA 1.471 57.431 56.100 -0.233 0.000 0.967 127 R CB -0.908 29.271 30.300 -0.201 0.000 0.861 127 R HN 0.505 nan 8.270 nan 0.000 0.442 128 Q N 1.121 120.626 119.800 -0.492 0.000 2.119 128 Q HA -0.104 4.235 4.340 -0.001 0.000 0.201 128 Q C 1.844 177.171 176.000 -1.121 0.000 0.972 128 Q CA 1.597 56.922 55.803 -0.797 0.000 0.847 128 Q CB -0.038 28.197 28.738 -0.838 0.000 0.903 128 Q HN 0.405 nan 8.270 nan 0.000 0.433 129 Q N -0.188 119.088 119.800 -0.874 0.000 2.124 129 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 129 Q C 1.948 177.497 176.000 -0.752 0.000 0.977 129 Q CA 1.450 56.721 55.803 -0.887 0.000 0.850 129 Q CB -0.012 28.090 28.738 -1.060 0.000 0.901 129 Q HN 0.530 nan 8.270 nan 0.000 0.429 130 E N 0.783 120.663 120.200 -0.533 0.000 2.110 130 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 130 E C 1.850 178.261 176.600 -0.315 0.000 0.988 130 E CA 0.814 56.999 56.400 -0.359 0.000 0.804 130 E CB 0.071 29.645 29.700 -0.210 0.000 0.745 130 E HN 0.251 nan 8.360 nan 0.000 0.458 131 K N 0.008 120.195 120.400 -0.356 0.000 2.057 131 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 131 K C 1.951 178.465 176.600 -0.143 0.000 1.049 131 K CA 1.170 57.295 56.287 -0.270 0.000 0.931 131 K CB -0.080 32.218 32.500 -0.337 0.000 0.714 131 K HN 0.209 nan 8.250 nan 0.000 0.440 132 W N 1.002 122.164 121.300 -0.230 0.000 2.381 132 W HA 0.068 4.728 4.660 -0.000 0.000 0.301 132 W C 1.020 177.424 176.519 -0.191 0.000 1.205 132 W CA 0.111 57.351 57.345 -0.175 0.000 1.285 132 W CB -0.826 28.525 29.460 -0.182 0.000 1.133 132 W HN -0.058 nan 8.180 nan 0.000 0.521 133 A N 0.991 123.744 122.820 -0.112 0.000 2.477 133 A HA 0.111 4.430 4.320 -0.001 0.000 0.246 133 A C 1.049 178.429 177.584 -0.339 0.000 1.078 133 A CA 0.054 51.830 52.037 -0.435 0.000 0.770 133 A CB 0.267 18.706 19.000 -0.935 0.000 1.011 133 A HN 0.258 nan 8.150 nan 0.000 0.494 134 K N 0.873 121.158 120.400 -0.191 0.000 2.404 134 K HA 0.180 4.500 4.320 -0.001 0.000 0.194 134 K C -0.627 176.056 176.600 0.138 0.000 1.023 134 K CA 0.205 56.511 56.287 0.032 0.000 1.094 134 K CB 0.008 32.602 32.500 0.158 0.000 0.841 134 K HN 0.734 nan 8.250 nan 0.000 0.523 135 F N -0.081 119.966 119.950 0.162 0.000 2.538 135 F HA 0.585 5.111 4.527 -0.002 0.000 0.325 135 F C -2.691 173.205 175.800 0.159 0.000 1.066 135 F CA -3.726 54.386 58.000 0.187 0.000 0.946 135 F CB 0.283 39.420 39.000 0.228 0.000 1.199 135 F HN -0.245 nan 8.300 nan 0.000 0.473 136 P HA 0.207 nan 4.420 nan 0.000 0.276 136 P C -1.129 176.349 177.300 0.296 0.000 1.230 136 P CA -0.200 63.029 63.100 0.215 0.000 0.776 136 P CB 1.572 33.388 31.700 0.193 0.000 0.888 137 L N 3.967 125.290 121.223 0.167 0.000 2.255 137 L HA 0.351 4.690 4.340 -0.001 0.000 0.289 137 L C 0.404 177.328 176.870 0.091 0.000 1.046 137 L CA 0.124 55.049 54.840 0.142 0.000 0.816 137 L CB 0.368 42.446 42.059 0.033 0.000 1.197 137 L HN 0.250 nan 8.230 nan 0.000 0.427 138 L N 2.533 123.821 121.223 0.108 0.000 2.317 138 L HA 0.764 5.103 4.340 -0.001 0.000 0.281 138 L C 0.097 177.006 176.870 0.066 0.000 1.024 138 L CA -0.343 54.563 54.840 0.110 0.000 0.810 138 L CB 1.905 44.066 42.059 0.169 0.000 1.240 138 L HN 0.643 nan 8.230 nan 0.000 0.427 139 S N 1.151 116.896 115.700 0.074 0.000 2.592 139 S HA 0.538 5.008 4.470 -0.001 0.000 0.275 139 S C 0.202 174.860 174.600 0.096 0.000 1.169 139 S CA 0.028 58.282 58.200 0.091 0.000 0.958 139 S CB 1.765 64.997 63.200 0.054 0.000 1.095 139 S HN 0.698 nan 8.310 nan 0.000 0.471 140 A N 3.621 126.506 122.820 0.108 0.000 2.072 140 A HA 0.113 4.432 4.320 -0.001 0.000 0.216 140 A C 1.485 179.119 177.584 0.084 0.000 1.156 140 A CA 0.969 53.053 52.037 0.079 0.000 0.701 140 A CB -0.339 18.758 19.000 0.162 0.000 0.816 140 A HN 0.921 nan 8.150 nan 0.000 0.458 141 N N -0.188 118.602 118.700 0.150 0.000 2.214 141 N HA 0.159 4.898 4.740 -0.001 0.000 0.214 141 N C -0.318 175.330 175.510 0.230 0.000 1.132 141 N CA -0.101 53.105 53.050 0.260 0.000 0.856 141 N CB 0.151 38.778 38.487 0.232 0.000 1.020 141 N HN 0.387 nan 8.380 nan 0.000 0.509 142 I N 1.519 122.117 120.570 0.046 0.000 2.312 142 I HA 0.277 4.446 4.170 -0.001 0.000 0.290 142 I C -0.830 175.204 176.117 -0.138 0.000 1.008 142 I CA -0.677 60.551 61.300 -0.120 0.000 1.226 142 I CB 0.424 38.388 38.000 -0.061 0.000 1.371 142 I HN -0.104 nan 8.210 nan 0.000 0.468 143 Y N 3.831 124.036 120.300 -0.160 0.000 2.562 143 Y HA 0.337 4.886 4.550 -0.001 0.000 0.343 143 Y C 0.192 176.031 175.900 -0.101 0.000 1.025 143 Y CA -0.646 57.396 58.100 -0.095 0.000 1.082 143 Y CB 1.784 40.204 38.460 -0.066 0.000 1.264 143 Y HN 0.448 nan 8.280 nan 0.000 0.478 144 Q N 2.677 122.528 119.800 0.085 0.000 2.294 144 Q HA 0.186 4.525 4.340 -0.001 0.000 0.257 144 Q C 0.386 176.426 176.000 0.067 0.000 0.955 144 Q CA -0.239 55.585 55.803 0.035 0.000 0.936 144 Q CB 0.923 29.652 28.738 -0.014 0.000 1.188 144 Q HN 0.733 nan 8.270 nan 0.000 0.420 145 K N 1.179 121.606 120.400 0.046 0.000 2.026 145 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 145 K C 1.936 178.552 176.600 0.026 0.000 1.048 145 K CA 1.876 58.184 56.287 0.036 0.000 0.929 145 K CB 0.029 32.549 32.500 0.033 0.000 0.713 145 K HN 0.728 nan 8.250 nan 0.000 0.439 146 S N 0.166 115.879 115.700 0.022 0.000 2.423 146 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 146 S C 1.910 176.517 174.600 0.012 0.000 1.014 146 S CA 1.554 59.762 58.200 0.013 0.000 0.965 146 S CB -0.385 62.820 63.200 0.009 0.000 0.785 146 S HN 0.431 nan 8.310 nan 0.000 0.495 147 T N -3.946 110.620 114.554 0.019 0.000 2.975 147 T HA 0.524 4.873 4.350 -0.001 0.000 0.257 147 T C 1.557 176.282 174.700 0.042 0.000 1.003 147 T CA 0.521 62.633 62.100 0.020 0.000 0.932 147 T CB -0.075 68.796 68.868 0.005 0.000 1.087 147 T HN 1.077 nan 8.240 nan 0.000 0.512 148 G N 1.724 110.566 108.800 0.070 0.000 2.187 148 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.261 148 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.261 148 G C -0.250 174.807 174.900 0.262 0.000 1.000 148 G CA 0.257 45.425 45.100 0.114 0.000 0.718 148 G HN 0.595 nan 8.290 nan 0.000 0.519 149 E N 0.059 120.370 120.200 0.186 0.000 2.202 149 E HA 0.404 4.754 4.350 -0.001 0.000 0.272 149 E C 0.863 177.389 176.600 -0.123 0.000 0.951 149 E CA -0.913 55.541 56.400 0.090 0.000 0.813 149 E CB 0.828 30.518 29.700 -0.016 0.000 1.151 149 E HN 0.413 nan 8.360 nan 0.000 0.398 150 R N 1.704 121.935 120.500 -0.448 0.000 2.583 150 R HA 0.004 4.343 4.340 -0.001 0.000 0.274 150 R C 1.208 177.276 176.300 -0.387 0.000 0.998 150 R CA 0.111 55.808 56.100 -0.672 0.000 1.081 150 R CB 0.410 30.360 30.300 -0.583 0.000 0.940 150 R HN 0.451 nan 8.270 nan 0.000 0.413 151 L N 2.111 123.111 121.223 -0.373 0.000 2.341 151 L HA 0.096 4.435 4.340 -0.001 0.000 0.214 151 L C 0.025 176.399 176.870 -0.827 0.000 1.115 151 L CA 0.836 55.337 54.840 -0.564 0.000 0.820 151 L CB 0.171 41.843 42.059 -0.644 0.000 0.944 151 L HN 0.422 nan 8.230 nan 0.000 0.452 152 F N -1.394 118.457 119.950 -0.165 0.000 2.640 152 F HA 0.369 4.895 4.527 -0.001 0.000 0.324 152 F C 0.224 175.919 175.800 -0.175 0.000 1.077 152 F CA -1.228 56.694 58.000 -0.130 0.000 0.965 152 F CB 0.990 39.951 39.000 -0.064 0.000 1.351 152 F HN -0.391 nan 8.300 nan 0.000 0.487 153 K N 2.958 123.389 120.400 0.051 0.000 2.368 153 K HA 0.134 4.454 4.320 -0.001 0.000 0.282 153 K C -1.773 174.767 176.600 -0.100 0.000 1.035 153 K CA -1.217 55.002 56.287 -0.113 0.000 0.973 153 K CB 0.688 33.121 32.500 -0.110 0.000 0.957 153 K HN 0.226 nan 8.250 nan 0.000 0.474 154 P HA -0.085 nan 4.420 nan 0.000 0.222 154 P C -0.717 176.654 177.300 0.119 0.000 1.153 154 P CA 1.102 64.131 63.100 -0.119 0.000 0.798 154 P CB 0.076 31.610 31.700 -0.276 0.000 0.796 155 W N -1.555 119.778 121.300 0.055 0.000 2.937 155 W HA 0.723 5.382 4.660 -0.001 0.000 0.360 155 W C -2.264 174.271 176.519 0.027 0.000 1.215 155 W CA -1.523 55.858 57.345 0.059 0.000 1.183 155 W CB 0.297 29.785 29.460 0.046 0.000 1.458 155 W HN -0.034 nan 8.180 nan 0.000 0.574 156 A N 1.481 124.547 122.820 0.410 0.000 2.475 156 A HA 0.866 5.185 4.320 -0.001 0.000 0.301 156 A C -1.876 175.694 177.584 -0.023 0.000 1.059 156 A CA -1.075 51.030 52.037 0.114 0.000 0.710 156 A CB 1.339 20.303 19.000 -0.061 0.000 1.288 156 A HN 0.811 nan 8.150 nan 0.000 0.408 157 L N 1.036 122.107 121.223 -0.254 0.000 2.329 157 L HA 0.696 5.036 4.340 -0.001 0.000 0.279 157 L C -1.323 175.212 176.870 -0.557 0.000 1.014 157 L CA -0.325 54.373 54.840 -0.237 0.000 0.814 157 L CB 1.409 43.420 42.059 -0.079 0.000 1.257 157 L HN 0.652 nan 8.230 nan 0.000 0.424 158 F N 0.985 120.952 119.950 0.029 0.000 2.551 158 F HA 0.473 5.000 4.527 -0.001 0.000 0.316 158 F C -0.074 175.721 175.800 -0.009 0.000 1.089 158 F CA -0.854 57.158 58.000 0.020 0.000 0.915 158 F CB 1.976 40.986 39.000 0.016 0.000 1.186 158 F HN 0.237 nan 8.300 nan 0.000 0.456 159 K N 3.255 123.750 120.400 0.160 0.000 2.263 159 K HA 0.488 4.808 4.320 -0.001 0.000 0.272 159 K C -0.584 176.073 176.600 0.096 0.000 1.033 159 K CA -0.821 55.518 56.287 0.087 0.000 0.884 159 K CB 1.075 33.611 32.500 0.059 0.000 1.107 159 K HN 0.316 nan 8.250 nan 0.000 0.460 160 R N 3.826 124.358 120.500 0.053 0.000 2.310 160 R HA 0.194 4.534 4.340 -0.001 0.000 0.316 160 R C -0.054 176.281 176.300 0.060 0.000 1.004 160 R CA -0.126 56.002 56.100 0.047 0.000 0.900 160 R CB 0.714 31.024 30.300 0.016 0.000 1.152 160 R HN 0.885 nan 8.270 nan 0.000 0.513 161 Q N 0.521 120.376 119.800 0.092 0.000 1.412 161 Q HA -0.247 4.092 4.340 -0.001 0.000 0.293 161 Q C -0.179 175.893 176.000 0.121 0.000 0.883 161 Q CA 1.867 57.752 55.803 0.137 0.000 0.911 161 Q CB -0.972 27.912 28.738 0.244 0.000 2.974 161 Q HN 0.702 nan 8.270 nan 0.000 0.523 162 D N 0.657 121.156 120.400 0.165 0.000 2.501 162 D HA 0.276 4.915 4.640 -0.001 0.000 0.224 162 D C -0.003 176.299 176.300 0.003 0.000 1.202 162 D CA -0.016 54.047 54.000 0.105 0.000 0.829 162 D CB 0.061 40.952 40.800 0.152 0.000 1.023 162 D HN 0.211 nan 8.370 nan 0.000 0.499 163 L N 0.632 121.782 121.223 -0.122 0.000 2.371 163 L HA 0.278 4.617 4.340 -0.001 0.000 0.272 163 L C 0.582 177.355 176.870 -0.162 0.000 1.124 163 L CA -0.348 54.315 54.840 -0.295 0.000 0.816 163 L CB 1.284 43.032 42.059 -0.518 0.000 1.129 163 L HN -0.118 nan 8.230 nan 0.000 0.448 164 K N 4.265 124.566 120.400 -0.166 0.000 2.293 164 K HA 0.552 4.872 4.320 -0.001 0.000 0.267 164 K C -1.154 175.372 176.600 -0.124 0.000 1.010 164 K CA -0.450 55.779 56.287 -0.096 0.000 0.875 164 K CB 0.938 33.399 32.500 -0.065 0.000 1.106 164 K HN 0.491 nan 8.250 nan 0.000 0.450 165 I N 3.472 124.014 120.570 -0.047 0.000 2.436 165 I HA 0.355 4.524 4.170 -0.001 0.000 0.289 165 I C -0.432 175.733 176.117 0.079 0.000 1.010 165 I CA -0.894 60.394 61.300 -0.021 0.000 1.098 165 I CB 1.977 39.978 38.000 0.002 0.000 1.266 165 I HN 0.646 nan 8.210 nan 0.000 0.434 166 A N 6.502 129.329 122.820 0.013 0.000 2.304 166 A HA 0.784 5.104 4.320 -0.001 0.000 0.323 166 A C -0.746 176.900 177.584 0.104 0.000 1.195 166 A CA -0.480 51.571 52.037 0.023 0.000 0.826 166 A CB 1.266 20.173 19.000 -0.155 0.000 1.184 166 A HN 0.449 nan 8.150 nan 0.000 0.496 167 V N 4.450 124.506 119.914 0.235 0.000 2.378 167 V HA 0.392 4.511 4.120 -0.001 0.000 0.288 167 V C -0.039 176.223 176.094 0.281 0.000 1.016 167 V CA -0.297 62.152 62.300 0.248 0.000 0.840 167 V CB 1.074 33.103 31.823 0.344 0.000 0.994 167 V HN 0.828 nan 8.190 nan 0.000 0.431 168 I N 2.033 122.738 120.570 0.224 0.000 2.488 168 I HA 0.971 5.141 4.170 -0.001 0.000 0.299 168 I C 0.464 176.709 176.117 0.214 0.000 0.984 168 I CA -0.254 61.204 61.300 0.263 0.000 1.250 168 I CB 1.770 39.903 38.000 0.221 0.000 1.389 168 I HN 0.605 nan 8.210 nan 0.000 0.488 169 G N 5.915 114.841 108.800 0.209 0.000 2.420 169 G HA2 0.737 4.697 3.960 -0.001 0.000 0.331 169 G HA3 0.737 4.697 3.960 -0.001 0.000 0.331 169 G C -1.148 173.849 174.900 0.163 0.000 1.168 169 G CA -0.833 44.371 45.100 0.174 0.000 0.936 169 G HN 0.648 nan 8.290 nan 0.000 0.479 170 L N 0.631 121.949 121.223 0.159 0.000 2.482 170 L HA 0.511 4.851 4.340 -0.001 0.000 0.263 170 L C -0.481 176.495 176.870 0.177 0.000 0.957 170 L CA -0.751 54.184 54.840 0.160 0.000 0.836 170 L CB 2.903 45.047 42.059 0.141 0.000 1.324 170 L HN 0.465 nan 8.230 nan 0.000 0.406 171 T N -0.174 114.499 114.554 0.198 0.000 2.841 171 T HA 0.263 4.613 4.350 -0.001 0.000 0.283 171 T C -0.115 174.680 174.700 0.159 0.000 1.000 171 T CA -0.435 61.797 62.100 0.221 0.000 0.977 171 T CB 1.946 71.006 68.868 0.319 0.000 0.979 171 T HN 0.586 nan 8.240 nan 0.000 0.446 172 T N 1.868 116.447 114.554 0.042 0.000 2.934 172 T HA 0.019 4.369 4.350 -0.001 0.000 0.306 172 T C 0.945 175.574 174.700 -0.118 0.000 1.042 172 T CA -0.328 61.732 62.100 -0.066 0.000 1.145 172 T CB 0.056 68.782 68.868 -0.237 0.000 0.982 172 T HN 0.670 nan 8.240 nan 0.000 0.544 173 D N 2.712 123.074 120.400 -0.063 0.000 2.336 173 D HA 0.026 4.666 4.640 -0.001 0.000 0.229 173 D C 0.828 177.014 176.300 -0.191 0.000 1.061 173 D CA 0.020 53.973 54.000 -0.078 0.000 0.875 173 D CB 0.037 40.857 40.800 0.033 0.000 0.904 173 D HN 0.495 nan 8.370 nan 0.000 0.525 174 D N 0.171 120.448 120.400 -0.205 0.000 2.355 174 D HA -0.042 4.598 4.640 -0.001 0.000 0.218 174 D C 1.471 177.568 176.300 -0.339 0.000 1.004 174 D CA 0.470 54.355 54.000 -0.191 0.000 0.880 174 D CB 0.137 40.897 40.800 -0.067 0.000 0.911 174 D HN 0.142 nan 8.370 nan 0.000 0.528 175 T N 0.414 114.597 114.554 -0.619 0.000 2.635 175 T HA -0.191 4.158 4.350 -0.001 0.000 0.267 175 T C 1.771 175.995 174.700 -0.794 0.000 1.040 175 T CA 1.714 63.350 62.100 -0.773 0.000 1.156 175 T CB -0.093 67.907 68.868 -1.445 0.000 0.863 175 T HN 0.217 nan 8.240 nan 0.000 0.430 176 A N 0.328 122.468 122.820 -1.134 0.000 2.251 176 A HA 0.164 4.483 4.320 -0.001 0.000 0.209 176 A C 1.914 179.207 177.584 -0.486 0.000 1.187 176 A CA 0.466 51.758 52.037 -1.242 0.000 0.823 176 A CB -0.147 18.084 19.000 -1.280 0.000 0.846 176 A HN 0.439 nan 8.150 nan 0.000 0.486 177 K N -0.697 119.523 120.400 -0.301 0.000 2.361 177 K HA 0.332 4.652 4.320 -0.001 0.000 0.194 177 K C -0.157 176.432 176.600 -0.018 0.000 1.032 177 K CA 0.114 56.328 56.287 -0.122 0.000 1.048 177 K CB 0.478 32.924 32.500 -0.090 0.000 0.842 177 K HN 0.409 nan 8.250 nan 0.000 0.526 178 I N 1.004 121.579 120.570 0.008 0.000 2.396 178 I HA 0.125 4.294 4.170 -0.001 0.000 0.292 178 I C 1.041 177.282 176.117 0.206 0.000 0.999 178 I CA 0.076 61.469 61.300 0.156 0.000 1.310 178 I CB 1.191 39.269 38.000 0.130 0.000 1.404 178 I HN 0.339 nan 8.210 nan 0.000 0.496 179 G N 5.881 114.835 108.800 0.256 0.000 2.566 179 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.280 179 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.280 179 G C -0.029 174.880 174.900 0.015 0.000 1.225 179 G CA -0.029 45.142 45.100 0.117 0.000 0.966 179 G HN 0.792 nan 8.290 nan 0.000 0.560 180 N N 2.165 120.896 118.700 0.053 0.000 2.609 180 N HA 0.455 5.195 4.740 -0.001 0.000 0.234 180 N C -2.493 173.076 175.510 0.098 0.000 1.001 180 N CA -1.337 51.733 53.050 0.033 0.000 0.926 180 N CB 1.258 39.744 38.487 -0.003 0.000 1.130 180 N HN 0.377 nan 8.380 nan 0.000 0.510 181 P HA 0.177 nan 4.420 nan 0.000 0.275 181 P C -0.273 177.134 177.300 0.177 0.000 1.227 181 P CA 0.088 63.387 63.100 0.333 0.000 0.781 181 P CB 1.806 33.717 31.700 0.353 0.000 0.906 182 E N 1.095 121.291 120.200 -0.008 0.000 2.419 182 E HA 0.035 4.385 4.350 -0.001 0.000 0.197 182 E C -0.065 176.198 176.600 -0.561 0.000 0.920 182 E CA 0.569 56.725 56.400 -0.408 0.000 1.085 182 E CB 0.081 29.317 29.700 -0.775 0.000 1.084 182 E HN 0.419 nan 8.360 nan 0.000 0.490 183 Y N 0.163 120.155 120.300 -0.514 0.000 2.783 183 Y HA 0.238 4.787 4.550 -0.001 0.000 0.382 183 Y C -0.273 175.315 175.900 -0.519 0.000 1.076 183 Y CA -0.365 57.507 58.100 -0.380 0.000 1.530 183 Y CB -0.041 38.286 38.460 -0.222 0.000 1.546 183 Y HN 0.025 nan 8.280 nan 0.000 0.537 184 F N -1.349 118.743 119.950 0.237 0.000 2.708 184 F HA 0.203 4.729 4.527 -0.001 0.000 0.300 184 F C 0.808 176.688 175.800 0.133 0.000 1.118 184 F CA -0.905 57.209 58.000 0.190 0.000 1.307 184 F CB -0.283 38.811 39.000 0.157 0.000 0.986 184 F HN -0.121 nan 8.300 nan 0.000 0.522 185 T N 1.387 116.064 114.554 0.204 0.000 2.822 185 T HA -0.066 4.284 4.350 -0.001 0.000 0.288 185 T C 0.609 175.386 174.700 0.128 0.000 0.991 185 T CA 0.543 62.729 62.100 0.144 0.000 1.176 185 T CB -0.041 68.892 68.868 0.107 0.000 0.951 185 T HN 0.359 nan 8.240 nan 0.000 0.526 186 D N 1.177 121.639 120.400 0.103 0.000 2.911 186 D HA -0.171 4.468 4.640 -0.001 0.000 0.227 186 D C -0.427 175.915 176.300 0.070 0.000 1.164 186 D CA 0.819 54.861 54.000 0.071 0.000 0.782 186 D CB -1.273 39.554 40.800 0.045 0.000 1.094 186 D HN 0.665 nan 8.370 nan 0.000 0.425 187 I N 0.192 120.824 120.570 0.104 0.000 2.689 187 I HA 0.464 4.633 4.170 -0.001 0.000 0.299 187 I C 0.199 176.331 176.117 0.024 0.000 1.059 187 I CA -0.830 60.502 61.300 0.054 0.000 1.055 187 I CB 2.113 40.180 38.000 0.112 0.000 1.243 187 I HN 0.067 nan 8.210 nan 0.000 0.425 188 E N 4.007 124.150 120.200 -0.094 0.000 2.413 188 E HA 0.514 4.864 4.350 -0.001 0.000 0.277 188 E C -1.956 174.500 176.600 -0.240 0.000 0.958 188 E CA -0.742 55.621 56.400 -0.061 0.000 0.779 188 E CB 2.230 31.942 29.700 0.019 0.000 1.278 188 E HN 0.329 nan 8.360 nan 0.000 0.456 189 F N 1.102 121.040 119.950 -0.021 0.000 2.403 189 F HA 0.478 5.005 4.527 -0.001 0.000 0.355 189 F C 0.599 176.405 175.800 0.011 0.000 1.119 189 F CA -0.812 57.187 58.000 -0.002 0.000 1.007 189 F CB 1.730 40.673 39.000 -0.094 0.000 1.194 189 F HN 0.176 nan 8.300 nan 0.000 0.443 190 R N 1.810 122.418 120.500 0.179 0.000 2.543 190 R HA 0.364 4.704 4.340 -0.001 0.000 0.268 190 R C -0.145 176.219 176.300 0.107 0.000 1.067 190 R CA -1.097 55.061 56.100 0.096 0.000 1.142 190 R CB 0.903 31.225 30.300 0.036 0.000 1.110 190 R HN 0.509 nan 8.270 nan 0.000 0.549 191 K N 2.472 122.907 120.400 0.057 0.000 2.436 191 K HA -0.001 4.319 4.320 -0.001 0.000 0.282 191 K C -1.720 174.923 176.600 0.073 0.000 1.044 191 K CA -0.958 55.358 56.287 0.048 0.000 1.028 191 K CB 0.443 32.954 32.500 0.018 0.000 0.919 191 K HN 0.317 nan 8.250 nan 0.000 0.474 192 P HA -0.186 nan 4.420 nan 0.000 0.217 192 P C 1.040 178.388 177.300 0.080 0.000 1.150 192 P CA 1.074 64.234 63.100 0.099 0.000 0.832 192 P CB 0.139 31.896 31.700 0.095 0.000 0.787 193 A N 0.300 123.152 122.820 0.054 0.000 1.940 193 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 193 A C 1.986 179.598 177.584 0.048 0.000 1.176 193 A CA 2.191 54.255 52.037 0.044 0.000 0.631 193 A CB -1.383 17.631 19.000 0.025 0.000 0.814 193 A HN 0.095 nan 8.150 nan 0.000 0.446 194 D N -0.981 119.446 120.400 0.046 0.000 2.149 194 D HA -0.072 4.567 4.640 -0.001 0.000 0.201 194 D C 1.913 178.252 176.300 0.065 0.000 0.972 194 D CA 1.424 55.450 54.000 0.043 0.000 0.835 194 D CB -0.303 40.514 40.800 0.027 0.000 0.966 194 D HN 0.537 nan 8.370 nan 0.000 0.476 195 E N 0.922 121.176 120.200 0.091 0.000 2.110 195 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 195 E C 1.903 178.582 176.600 0.131 0.000 0.988 195 E CA 1.170 57.649 56.400 0.133 0.000 0.804 195 E CB -0.213 29.595 29.700 0.180 0.000 0.745 195 E HN 0.167 nan 8.360 nan 0.000 0.458 196 A N 0.895 123.780 122.820 0.109 0.000 1.883 196 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 196 A C 2.006 179.637 177.584 0.078 0.000 1.186 196 A CA 1.948 54.044 52.037 0.099 0.000 0.624 196 A CB -0.472 18.576 19.000 0.080 0.000 0.822 196 A HN 0.203 nan 8.150 nan 0.000 0.444 197 K N -0.341 120.096 120.400 0.063 0.000 2.020 197 K HA -0.140 4.179 4.320 -0.001 0.000 0.212 197 K C 1.893 178.526 176.600 0.056 0.000 1.050 197 K CA 1.685 58.000 56.287 0.048 0.000 0.929 197 K CB -0.521 32.002 32.500 0.038 0.000 0.714 197 K HN 0.493 nan 8.250 nan 0.000 0.443 198 L N 0.530 121.798 121.223 0.076 0.000 2.046 198 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 198 L C 2.436 179.373 176.870 0.113 0.000 1.077 198 L CA 0.882 55.776 54.840 0.090 0.000 0.747 198 L CB -0.488 41.638 42.059 0.111 0.000 0.896 198 L HN 0.004 nan 8.230 nan 0.000 0.432 199 V N -0.051 119.948 119.914 0.143 0.000 2.453 199 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 199 V C 2.293 178.412 176.094 0.041 0.000 1.048 199 V CA 1.479 63.897 62.300 0.197 0.000 1.049 199 V CB -0.070 31.931 31.823 0.296 0.000 0.672 199 V HN 0.290 nan 8.190 nan 0.000 0.457 200 I N -0.099 120.483 120.570 0.020 0.000 2.226 200 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 200 I C 2.618 178.704 176.117 -0.052 0.000 1.100 200 I CA 1.896 63.173 61.300 -0.038 0.000 1.374 200 I CB -0.324 37.671 38.000 -0.008 0.000 1.057 200 I HN 0.410 nan 8.210 nan 0.000 0.413 201 Q N 1.174 120.967 119.800 -0.011 0.000 2.050 201 Q HA -0.292 4.047 4.340 -0.001 0.000 0.202 201 Q C 2.139 178.126 176.000 -0.021 0.000 0.980 201 Q CA 2.025 57.822 55.803 -0.009 0.000 0.840 201 Q CB -0.115 28.632 28.738 0.015 0.000 0.898 201 Q HN 0.531 nan 8.270 nan 0.000 0.424 202 E N 0.124 120.321 120.200 -0.005 0.000 2.110 202 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 202 E C 2.127 178.655 176.600 -0.120 0.000 0.988 202 E CA 0.896 57.297 56.400 0.003 0.000 0.804 202 E CB -0.111 29.665 29.700 0.127 0.000 0.745 202 E HN 0.462 nan 8.360 nan 0.000 0.458 203 L N 0.598 121.649 121.223 -0.286 0.000 2.046 203 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 203 L C 2.806 179.543 176.870 -0.223 0.000 1.077 203 L CA 1.082 55.658 54.840 -0.439 0.000 0.747 203 L CB -0.308 41.404 42.059 -0.578 0.000 0.896 203 L HN 0.235 nan 8.230 nan 0.000 0.432 204 Q N -0.574 119.141 119.800 -0.141 0.000 2.119 204 Q HA -0.251 4.089 4.340 -0.001 0.000 0.201 204 Q C 2.068 178.033 176.000 -0.058 0.000 0.972 204 Q CA 1.510 57.263 55.803 -0.083 0.000 0.847 204 Q CB -0.177 28.530 28.738 -0.050 0.000 0.903 204 Q HN 0.479 nan 8.270 nan 0.000 0.433 205 Q N 0.557 120.327 119.800 -0.049 0.000 2.079 205 Q HA -0.103 4.236 4.340 -0.001 0.000 0.200 205 Q C 1.813 177.799 176.000 -0.023 0.000 0.974 205 Q CA 2.385 58.173 55.803 -0.024 0.000 0.840 205 Q CB -0.224 28.509 28.738 -0.008 0.000 0.898 205 Q HN 0.424 nan 8.270 nan 0.000 0.430 206 T N -3.080 111.454 114.554 -0.034 0.000 3.044 206 T HA 0.149 4.498 4.350 -0.001 0.000 0.255 206 T C 1.254 175.935 174.700 -0.032 0.000 1.073 206 T CA 0.621 62.712 62.100 -0.015 0.000 1.125 206 T CB 0.105 68.985 68.868 0.020 0.000 0.908 206 T HN 0.187 nan 8.240 nan 0.000 0.480 207 E N 0.554 120.710 120.200 -0.074 0.000 2.474 207 E HA 0.191 4.540 4.350 -0.001 0.000 0.215 207 E C 0.109 176.668 176.600 -0.069 0.000 0.867 207 E CA -0.093 56.261 56.400 -0.078 0.000 1.135 207 E CB 0.273 29.889 29.700 -0.139 0.000 1.147 207 E HN 0.475 nan 8.360 nan 0.000 0.534 208 K N 1.864 122.223 120.400 -0.069 0.000 3.730 208 K HA -0.146 4.173 4.320 -0.001 0.000 0.276 208 K C -2.584 173.992 176.600 -0.039 0.000 0.904 208 K CA -0.083 56.179 56.287 -0.042 0.000 0.741 208 K CB -0.733 31.758 32.500 -0.015 0.000 1.542 208 K HN -0.020 nan 8.250 nan 0.000 0.446 209 P HA -0.006 nan 4.420 nan 0.000 0.268 209 P C 0.243 177.515 177.300 -0.047 0.000 1.205 209 P CA -0.170 62.880 63.100 -0.084 0.000 0.771 209 P CB 0.604 32.228 31.700 -0.126 0.000 0.858 210 D N 1.869 122.220 120.400 -0.083 0.000 2.178 210 D HA -0.045 4.595 4.640 -0.001 0.000 0.201 210 D C 0.766 176.985 176.300 -0.134 0.000 0.980 210 D CA 1.622 55.558 54.000 -0.107 0.000 0.842 210 D CB 0.165 40.681 40.800 -0.475 0.000 0.948 210 D HN 0.366 nan 8.370 nan 0.000 0.472 211 I N 0.592 121.046 120.570 -0.194 0.000 2.607 211 I HA 0.285 4.455 4.170 -0.001 0.000 0.290 211 I C -0.803 175.248 176.117 -0.111 0.000 1.129 211 I CA -0.610 60.597 61.300 -0.155 0.000 1.042 211 I CB 2.912 40.754 38.000 -0.262 0.000 1.242 211 I HN -0.317 nan 8.210 nan 0.000 0.421 212 I N 6.467 126.989 120.570 -0.079 0.000 2.406 212 I HA 0.542 4.711 4.170 -0.001 0.000 0.290 212 I C -0.649 175.443 176.117 -0.042 0.000 0.999 212 I CA -0.572 60.694 61.300 -0.057 0.000 1.124 212 I CB 1.964 39.931 38.000 -0.056 0.000 1.289 212 I HN 0.346 nan 8.210 nan 0.000 0.441 213 I N 4.476 125.038 120.570 -0.014 0.000 2.646 213 I HA 0.627 4.796 4.170 -0.001 0.000 0.299 213 I C -0.122 176.026 176.117 0.052 0.000 1.036 213 I CA -0.720 60.582 61.300 0.002 0.000 1.074 213 I CB 2.290 40.278 38.000 -0.019 0.000 1.258 213 I HN 0.615 nan 8.210 nan 0.000 0.430 214 A N 4.299 127.155 122.820 0.060 0.000 2.287 214 A HA 0.824 5.144 4.320 -0.001 0.000 0.317 214 A C -0.327 177.313 177.584 0.094 0.000 1.220 214 A CA -0.538 51.552 52.037 0.089 0.000 0.835 214 A CB 0.966 20.015 19.000 0.083 0.000 1.180 214 A HN 0.761 nan 8.150 nan 0.000 0.500 215 A N 2.903 125.796 122.820 0.121 0.000 2.269 215 A HA 0.700 5.019 4.320 -0.001 0.000 0.302 215 A C 0.490 178.160 177.584 0.145 0.000 1.266 215 A CA 0.282 52.398 52.037 0.131 0.000 0.894 215 A CB -0.108 18.982 19.000 0.151 0.000 1.147 215 A HN 1.555 nan 8.150 nan 0.000 0.537 216 T N -0.550 114.089 114.554 0.141 0.000 2.906 216 T HA 0.554 4.903 4.350 -0.001 0.000 0.295 216 T C -0.707 174.101 174.700 0.179 0.000 1.075 216 T CA -0.469 61.721 62.100 0.150 0.000 1.005 216 T CB 1.441 70.374 68.868 0.108 0.000 1.136 216 T HN 0.619 nan 8.240 nan 0.000 0.498 217 H N 1.257 120.384 119.070 0.094 0.000 2.386 217 H HA 0.572 5.127 4.556 -0.001 0.000 0.232 217 H C 0.355 175.694 175.328 0.019 0.000 1.416 217 H CA -0.505 55.596 56.048 0.088 0.000 1.285 217 H CB -0.113 29.698 29.762 0.083 0.000 1.625 217 H HN 0.647 nan 8.280 nan 0.000 0.521 218 M N 0.135 119.694 119.600 -0.069 0.000 2.312 218 M HA 0.328 4.807 4.480 -0.001 0.000 0.260 218 M C 0.416 176.770 176.300 0.089 0.000 1.253 218 M CA 0.609 55.910 55.300 0.001 0.000 1.114 218 M CB 1.429 34.057 32.600 0.047 0.000 1.660 218 M HN 0.512 nan 8.290 nan 0.000 0.581 219 G N 1.164 109.954 108.800 -0.016 0.000 2.911 219 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.686 219 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.686 219 G C -1.316 173.373 174.900 -0.352 0.000 1.136 219 G CA -0.877 44.092 45.100 -0.218 0.000 0.764 219 G HN 0.466 nan 8.290 nan 0.000 0.626 220 H N 1.648 120.431 119.070 -0.478 0.000 2.552 220 H HA 0.617 5.172 4.556 -0.001 0.000 0.311 220 H C -0.890 174.099 175.328 -0.565 0.000 1.071 220 H CA -0.043 55.780 56.048 -0.375 0.000 1.307 220 H CB 0.731 30.369 29.762 -0.208 0.000 1.416 220 H HN 0.431 nan 8.280 nan 0.000 0.464 221 Y N 2.511 122.615 120.300 -0.327 0.000 2.376 221 Y HA 0.112 4.662 4.550 -0.001 0.000 0.340 221 Y C 0.271 176.022 175.900 -0.248 0.000 0.965 221 Y CA -1.163 56.854 58.100 -0.138 0.000 1.078 221 Y CB 1.057 39.484 38.460 -0.056 0.000 1.193 221 Y HN 0.564 nan 8.280 nan 0.000 0.452 222 D N 2.765 123.224 120.400 0.099 0.000 2.586 222 D HA -0.095 4.544 4.640 -0.001 0.000 0.234 222 D C 0.859 177.168 176.300 0.016 0.000 1.132 222 D CA 1.137 55.187 54.000 0.084 0.000 0.860 222 D CB 0.228 41.083 40.800 0.091 0.000 1.159 222 D HN 0.700 nan 8.370 nan 0.000 0.490 223 N N 1.667 120.363 118.700 -0.006 0.000 2.708 223 N HA -0.255 4.484 4.740 -0.001 0.000 0.251 223 N C 0.843 176.338 175.510 -0.026 0.000 1.123 223 N CA 1.980 55.020 53.050 -0.016 0.000 0.739 223 N CB -1.004 37.477 38.487 -0.011 0.000 1.113 223 N HN 0.780 nan 8.380 nan 0.000 0.561 224 G N -1.008 107.775 108.800 -0.028 0.000 2.148 224 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.254 224 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.254 224 G C -0.189 174.705 174.900 -0.010 0.000 0.981 224 G CA 0.420 45.536 45.100 0.028 0.000 0.670 224 G HN 0.635 nan 8.290 nan 0.000 0.528 225 E N 0.570 120.742 120.200 -0.047 0.000 1.842 225 E HA 0.319 4.669 4.350 -0.001 0.000 0.278 225 E C 1.342 177.772 176.600 -0.283 0.000 1.171 225 E CA 0.089 56.382 56.400 -0.178 0.000 1.127 225 E CB -0.182 29.458 29.700 -0.100 0.000 1.100 225 E HN 0.854 nan 8.360 nan 0.000 0.456 226 H N 1.085 119.952 119.070 -0.339 0.000 2.547 226 H HA 0.196 4.751 4.556 -0.001 0.000 0.272 226 H C 1.348 176.346 175.328 -0.551 0.000 0.989 226 H CA 0.125 55.673 56.048 -0.833 0.000 1.214 226 H CB 0.087 29.479 29.762 -0.617 0.000 1.389 226 H HN 0.474 nan 8.280 nan 0.000 0.577 227 G N 0.258 108.810 108.800 -0.412 0.000 2.611 227 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.301 227 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.301 227 G C 1.208 176.074 174.900 -0.057 0.000 1.233 227 G CA 0.536 45.514 45.100 -0.203 0.000 0.993 227 G HN 0.558 nan 8.290 nan 0.000 0.553 228 c N 2.030 120.617 118.600 -0.023 0.000 2.576 228 c HA 0.267 4.836 4.570 -0.001 0.000 0.267 228 c C 1.342 175.445 174.090 0.022 0.000 1.364 228 c CA 0.019 56.361 56.329 0.022 0.000 1.723 228 c CB -2.160 40.363 42.510 0.022 0.000 1.778 228 c HN 0.521 nan 8.230 nan 0.000 0.572 229 N N 1.141 119.832 118.700 -0.015 0.000 2.467 229 N HA 0.431 5.170 4.740 -0.001 0.000 0.262 229 N C 0.123 175.599 175.510 -0.057 0.000 1.234 229 N CA -0.035 53.001 53.050 -0.023 0.000 0.952 229 N CB 0.402 38.857 38.487 -0.054 0.000 1.158 229 N HN 0.335 nan 8.380 nan 0.000 0.463 230 A N 1.623 124.416 122.820 -0.044 0.000 2.531 230 A HA 0.174 4.493 4.320 -0.001 0.000 0.236 230 A C -2.008 175.431 177.584 -0.241 0.000 1.062 230 A CA -0.820 51.139 52.037 -0.130 0.000 0.760 230 A CB -0.424 18.541 19.000 -0.058 0.000 0.995 230 A HN 0.464 nan 8.150 nan 0.000 0.501 231 P HA 0.170 nan 4.420 nan 0.000 0.266 231 P C 0.667 177.943 177.300 -0.040 0.000 1.186 231 P CA 0.842 63.647 63.100 -0.491 0.000 0.767 231 P CB 0.621 32.081 31.700 -0.400 0.000 0.820 232 G N 1.170 110.056 108.800 0.143 0.000 3.135 232 G HA2 0.148 4.108 3.960 -0.001 0.000 0.159 232 G HA3 0.148 4.108 3.960 -0.001 0.000 0.159 232 G C 0.364 175.314 174.900 0.083 0.000 1.244 232 G CA -0.258 44.944 45.100 0.169 0.000 0.965 232 G HN 0.285 nan 8.290 nan 0.000 0.599 233 D N -0.553 119.875 120.400 0.047 0.000 2.097 233 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 233 D C 2.779 179.088 176.300 0.015 0.000 0.989 233 D CA 0.985 55.004 54.000 0.032 0.000 0.827 233 D CB -0.440 40.383 40.800 0.039 0.000 0.966 233 D HN 0.040 nan 8.370 nan 0.000 0.456 234 V N 1.235 121.129 119.914 -0.033 0.000 2.231 234 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 234 V C 2.515 178.608 176.094 -0.001 0.000 1.054 234 V CA 2.053 64.324 62.300 -0.049 0.000 1.015 234 V CB -0.527 31.207 31.823 -0.149 0.000 0.638 234 V HN 0.230 nan 8.190 nan 0.000 0.444 235 E N -0.589 119.632 120.200 0.035 0.000 2.085 235 E HA -0.302 4.047 4.350 -0.001 0.000 0.194 235 E C 2.244 178.860 176.600 0.028 0.000 0.994 235 E CA 2.020 58.448 56.400 0.047 0.000 0.801 235 E CB -0.171 29.583 29.700 0.090 0.000 0.743 235 E HN 0.587 nan 8.360 nan 0.000 0.453 236 M N 0.117 119.733 119.600 0.027 0.000 2.086 236 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 236 M C 2.245 178.556 176.300 0.018 0.000 1.067 236 M CA 1.857 57.172 55.300 0.025 0.000 1.116 236 M CB -0.120 32.501 32.600 0.034 0.000 1.348 236 M HN 0.193 nan 8.290 nan 0.000 0.407 237 A N 0.668 123.496 122.820 0.013 0.000 1.883 237 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 237 A C 2.089 179.667 177.584 -0.010 0.000 1.186 237 A CA 2.054 54.090 52.037 -0.000 0.000 0.624 237 A CB -0.769 18.226 19.000 -0.008 0.000 0.822 237 A HN 0.610 nan 8.150 nan 0.000 0.444 238 R N -0.870 119.625 120.500 -0.008 0.000 2.120 238 R HA -0.032 4.308 4.340 -0.001 0.000 0.234 238 R C 2.251 178.548 176.300 -0.005 0.000 1.123 238 R CA 1.111 57.205 56.100 -0.010 0.000 0.975 238 R CB -0.308 29.988 30.300 -0.005 0.000 0.866 238 R HN 0.529 nan 8.270 nan 0.000 0.446 239 A N 0.550 123.372 122.820 0.004 0.000 2.081 239 A HA 0.127 4.446 4.320 -0.001 0.000 0.214 239 A C 0.939 178.526 177.584 0.006 0.000 1.158 239 A CA 0.168 52.209 52.037 0.007 0.000 0.724 239 A CB 0.032 19.039 19.000 0.012 0.000 0.826 239 A HN 0.063 nan 8.150 nan 0.000 0.463 240 L N 0.283 121.509 121.223 0.005 0.000 2.466 240 L HA 0.267 4.606 4.340 -0.001 0.000 0.257 240 L C -2.264 174.604 176.870 -0.003 0.000 1.189 240 L CA -2.120 52.723 54.840 0.005 0.000 0.813 240 L CB 0.058 42.122 42.059 0.008 0.000 1.118 240 L HN 0.004 nan 8.230 nan 0.000 0.471 241 P HA 0.041 nan 4.420 nan 0.000 0.268 241 P C -0.763 176.528 177.300 -0.014 0.000 1.204 241 P CA -0.281 62.815 63.100 -0.007 0.000 0.768 241 P CB 0.528 32.225 31.700 -0.004 0.000 0.842 242 A N 3.451 126.258 122.820 -0.020 0.000 2.567 242 A HA 0.366 4.685 4.320 -0.001 0.000 0.240 242 A C 1.602 179.168 177.584 -0.030 0.000 1.053 242 A CA 0.697 52.714 52.037 -0.032 0.000 0.755 242 A CB -1.390 17.588 19.000 -0.037 0.000 0.978 242 A HN 0.912 nan 8.150 nan 0.000 0.507 243 G N 1.624 110.399 108.800 -0.041 0.000 2.187 243 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.261 243 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.261 243 G C 1.090 175.984 174.900 -0.011 0.000 1.000 243 G CA 1.394 46.475 45.100 -0.031 0.000 0.718 243 G HN 2.134 nan 8.290 nan 0.000 0.519 244 S N -1.336 114.357 115.700 -0.011 0.000 2.522 244 S HA 0.428 4.897 4.470 -0.001 0.000 0.227 244 S C 0.899 175.496 174.600 -0.004 0.000 0.986 244 S CA 0.611 58.808 58.200 -0.005 0.000 0.929 244 S CB 0.246 63.443 63.200 -0.004 0.000 0.769 244 S HN 0.584 nan 8.310 nan 0.000 0.529 245 L N 0.323 121.546 121.223 -0.001 0.000 2.362 245 L HA 0.662 5.001 4.340 -0.001 0.000 0.271 245 L C 1.282 178.157 176.870 0.010 0.000 1.002 245 L CA -0.512 54.329 54.840 0.001 0.000 0.818 245 L CB 1.600 43.668 42.059 0.015 0.000 1.298 245 L HN 0.087 nan 8.230 nan 0.000 0.420 246 A N 4.035 126.847 122.820 -0.014 0.000 1.877 246 A HA -0.016 4.304 4.320 -0.001 0.000 0.216 246 A C 0.702 178.356 177.584 0.116 0.000 1.186 246 A CA 1.665 53.694 52.037 -0.014 0.000 0.620 246 A CB -0.114 18.747 19.000 -0.231 0.000 0.822 246 A HN 0.765 nan 8.150 nan 0.000 0.443 247 M N -3.209 116.434 119.600 0.071 0.000 2.682 247 M HA 0.686 5.166 4.480 -0.001 0.000 0.272 247 M C -1.938 174.408 176.300 0.076 0.000 1.232 247 M CA -0.623 54.769 55.300 0.154 0.000 0.849 247 M CB 1.722 34.458 32.600 0.227 0.000 1.695 247 M HN -0.069 nan 8.290 nan 0.000 0.481 248 I N 2.167 122.784 120.570 0.078 0.000 2.355 248 I HA 0.427 4.596 4.170 -0.001 0.000 0.288 248 I C -0.881 175.247 176.117 0.018 0.000 0.999 248 I CA -1.038 60.294 61.300 0.053 0.000 1.163 248 I CB 2.099 40.134 38.000 0.059 0.000 1.316 248 I HN 0.459 nan 8.210 nan 0.000 0.454 249 V N 6.614 126.534 119.914 0.010 0.000 2.353 249 V HA 0.468 4.587 4.120 -0.001 0.000 0.264 249 V C 0.787 176.922 176.094 0.069 0.000 1.049 249 V CA -0.149 62.139 62.300 -0.021 0.000 0.896 249 V CB 0.660 32.483 31.823 -0.001 0.000 1.025 249 V HN 0.897 nan 8.190 nan 0.000 0.475 250 G N 2.944 111.791 108.800 0.079 0.000 2.753 250 G HA2 0.905 4.864 3.960 -0.001 0.000 0.285 250 G HA3 0.905 4.864 3.960 -0.001 0.000 0.285 250 G C -0.076 174.891 174.900 0.112 0.000 1.344 250 G CA -0.154 44.998 45.100 0.087 0.000 1.050 250 G HN 1.076 nan 8.290 nan 0.000 0.532 251 G N -3.281 105.544 108.800 0.042 0.000 2.435 251 G HA2 0.515 4.474 3.960 -0.001 0.000 0.296 251 G HA3 0.515 4.474 3.960 -0.001 0.000 0.296 251 G C -0.059 174.751 174.900 -0.150 0.000 1.240 251 G CA 1.051 46.162 45.100 0.019 0.000 0.872 251 G HN 1.733 nan 8.290 nan 0.000 0.480 252 H N -1.368 117.467 119.070 -0.391 0.000 4.781 252 H HA -0.327 4.228 4.556 -0.001 0.000 0.070 252 H C 2.334 177.609 175.328 -0.087 0.000 0.602 252 H CA 3.897 59.690 56.048 -0.425 0.000 0.972 252 H CB -1.452 27.878 29.762 -0.719 0.000 0.429 252 H HN 1.284 nan 8.280 nan 0.000 0.793 253 S N 1.043 116.599 115.700 -0.239 0.000 2.428 253 S HA -0.033 4.436 4.470 -0.001 0.000 0.230 253 S C 0.878 175.403 174.600 -0.126 0.000 1.014 253 S CA 1.187 59.233 58.200 -0.257 0.000 0.957 253 S CB -0.060 62.943 63.200 -0.329 0.000 0.784 253 S HN 0.730 nan 8.310 nan 0.000 0.499 254 Q N 1.390 121.162 119.800 -0.047 0.000 2.440 254 Q HA -0.100 4.239 4.340 -0.001 0.000 0.325 254 Q C -1.516 174.501 176.000 0.028 0.000 1.454 254 Q CA 0.676 56.510 55.803 0.051 0.000 0.828 254 Q CB -1.530 27.239 28.738 0.053 0.000 1.104 254 Q HN 0.669 nan 8.270 nan 0.000 0.358 255 D N 0.491 120.845 120.400 -0.077 0.000 2.601 255 D HA 0.397 5.036 4.640 -0.001 0.000 0.230 255 D C -2.651 173.490 176.300 -0.266 0.000 1.106 255 D CA -1.625 52.213 54.000 -0.269 0.000 0.873 255 D CB 1.993 42.658 40.800 -0.225 0.000 1.515 255 D HN -0.109 nan 8.370 nan 0.000 0.468 256 P HA 0.112 nan 4.420 nan 0.000 0.286 256 P C -0.051 176.986 177.300 -0.437 0.000 1.321 256 P CA -0.395 62.446 63.100 -0.433 0.000 0.790 256 P CB 0.595 31.933 31.700 -0.603 0.000 0.897 257 V N 5.298 124.993 119.914 -0.365 0.000 2.326 257 V HA 0.066 4.185 4.120 -0.001 0.000 0.249 257 V C 0.176 176.030 176.094 -0.400 0.000 1.114 257 V CA 0.397 62.443 62.300 -0.424 0.000 1.028 257 V CB -0.672 30.884 31.823 -0.446 0.000 1.170 257 V HN 0.639 nan 8.190 nan 0.000 0.494 258 c N 6.811 125.171 118.600 -0.400 0.000 2.381 258 c HA 0.550 5.119 4.570 -0.001 0.000 0.328 258 c C 0.070 174.042 174.090 -0.197 0.000 1.190 258 c CA -1.148 54.982 56.329 -0.331 0.000 1.369 258 c CB 1.118 43.295 42.510 -0.554 0.000 2.029 258 c HN 0.635 nan 8.230 nan 0.000 0.448 259 M N 2.506 122.030 119.600 -0.126 0.000 2.146 259 M HA 0.279 4.758 4.480 -0.001 0.000 0.357 259 M C 1.032 177.316 176.300 -0.028 0.000 1.261 259 M CA -0.296 54.963 55.300 -0.069 0.000 1.106 259 M CB 0.818 33.396 32.600 -0.037 0.000 1.612 259 M HN 0.843 nan 8.290 nan 0.000 0.470 260 A N 2.770 125.582 122.820 -0.014 0.000 2.030 260 A HA 0.572 4.891 4.320 -0.001 0.000 0.215 260 A C 0.833 178.421 177.584 0.006 0.000 1.164 260 A CA 1.105 53.144 52.037 0.004 0.000 0.697 260 A CB 0.184 19.189 19.000 0.008 0.000 0.827 260 A HN 0.875 nan 8.150 nan 0.000 0.457 261 A N -1.161 121.661 122.820 0.004 0.000 2.566 261 A HA 0.525 4.844 4.320 -0.001 0.000 0.290 261 A C -0.713 176.877 177.584 0.009 0.000 1.071 261 A CA -0.408 51.634 52.037 0.007 0.000 0.658 261 A CB 0.122 19.125 19.000 0.006 0.000 1.285 261 A HN 0.197 nan 8.150 nan 0.000 0.427 262 E N 1.212 121.416 120.200 0.007 0.000 2.415 262 E HA 0.091 4.441 4.350 -0.001 0.000 0.263 262 E C -0.095 176.513 176.600 0.013 0.000 0.995 262 E CA 0.449 56.852 56.400 0.006 0.000 0.915 262 E CB 0.003 29.702 29.700 -0.002 0.000 0.951 262 E HN 0.550 nan 8.360 nan 0.000 0.449 263 N N 3.058 121.773 118.700 0.024 0.000 2.693 263 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 263 N C -0.943 174.599 175.510 0.053 0.000 1.119 263 N CA 1.147 54.223 53.050 0.043 0.000 0.717 263 N CB -0.652 37.846 38.487 0.019 0.000 1.071 263 N HN 0.510 nan 8.380 nan 0.000 0.555 264 K N 0.971 121.397 120.400 0.044 0.000 2.613 264 K HA 0.216 4.535 4.320 -0.001 0.000 0.248 264 K C -0.485 176.123 176.600 0.015 0.000 0.959 264 K CA -0.469 55.839 56.287 0.036 0.000 0.855 264 K CB 1.368 33.879 32.500 0.019 0.000 1.143 264 K HN -0.037 nan 8.250 nan 0.000 0.437 265 K N 2.286 122.692 120.400 0.009 0.000 2.355 265 K HA 0.049 4.368 4.320 -0.001 0.000 0.270 265 K C 0.069 176.648 176.600 -0.036 0.000 1.003 265 K CA -0.003 56.250 56.287 -0.057 0.000 0.957 265 K CB 0.634 33.076 32.500 -0.097 0.000 0.939 265 K HN 0.497 nan 8.250 nan 0.000 0.482 266 Q N 1.159 120.933 119.800 -0.042 0.000 2.315 266 Q HA 0.012 4.351 4.340 -0.001 0.000 0.289 266 Q C -0.373 175.623 176.000 -0.006 0.000 1.044 266 Q CA -0.060 55.743 55.803 0.000 0.000 0.920 266 Q CB 0.620 29.393 28.738 0.058 0.000 1.214 266 Q HN 0.248 nan 8.270 nan 0.000 0.392 267 V N 3.231 123.148 119.914 0.005 0.000 2.509 267 V HA 0.022 4.141 4.120 -0.001 0.000 0.284 267 V C 0.025 176.129 176.094 0.016 0.000 1.047 267 V CA -0.322 61.978 62.300 0.001 0.000 0.952 267 V CB 1.400 33.224 31.823 0.000 0.000 0.988 267 V HN 0.865 nan 8.190 nan 0.000 0.469 268 D N 1.855 122.263 120.400 0.014 0.000 2.699 268 D HA -0.232 4.407 4.640 -0.001 0.000 0.239 268 D C -0.272 176.044 176.300 0.027 0.000 1.136 268 D CA 0.685 54.697 54.000 0.019 0.000 0.668 268 D CB -1.021 39.785 40.800 0.009 0.000 1.060 268 D HN 0.658 nan 8.370 nan 0.000 0.429 269 Y N 0.079 120.334 120.300 -0.075 0.000 2.811 269 Y HA 0.158 4.707 4.550 -0.001 0.000 0.334 269 Y C -0.005 175.854 175.900 -0.068 0.000 1.247 269 Y CA 0.110 58.158 58.100 -0.086 0.000 1.526 269 Y CB 0.616 38.993 38.460 -0.138 0.000 1.284 269 Y HN -0.040 nan 8.280 nan 0.000 0.586 270 V N 9.448 128.784 119.914 -0.964 0.000 2.370 270 V HA 0.293 4.412 4.120 -0.001 0.000 0.283 270 V C -2.098 173.359 176.094 -1.063 0.000 1.023 270 V CA -2.190 59.667 62.300 -0.738 0.000 0.857 270 V CB 1.245 32.835 31.823 -0.387 0.000 0.985 270 V HN 0.740 nan 8.190 nan 0.000 0.443 271 P HA 0.145 nan 4.420 nan 0.000 0.264 271 P C 1.013 178.049 177.300 -0.440 0.000 1.183 271 P CA 1.520 64.271 63.100 -0.582 0.000 0.763 271 P CB 0.566 31.690 31.700 -0.960 0.000 0.807 272 G N 1.317 110.044 108.800 -0.121 0.000 2.179 272 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.260 272 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.260 272 G C 0.359 175.235 174.900 -0.039 0.000 0.977 272 G CA 0.466 45.547 45.100 -0.031 0.000 0.641 272 G HN 0.815 nan 8.290 nan 0.000 0.533 273 T N -1.027 113.464 114.554 -0.104 0.000 2.927 273 T HA 0.663 5.012 4.350 -0.001 0.000 0.281 273 T C -2.250 172.500 174.700 0.083 0.000 0.998 273 T CA -1.531 60.543 62.100 -0.043 0.000 1.019 273 T CB 2.096 70.894 68.868 -0.116 0.000 1.061 273 T HN 0.041 nan 8.240 nan 0.000 0.518 274 P HA 0.250 nan 4.420 nan 0.000 0.266 274 P C -0.794 176.596 177.300 0.150 0.000 1.195 274 P CA -0.449 62.700 63.100 0.082 0.000 0.768 274 P CB 0.186 31.913 31.700 0.045 0.000 0.838 275 c N 4.822 123.476 118.600 0.089 0.000 2.346 275 c HA 0.426 4.996 4.570 -0.001 0.000 0.326 275 c C -0.187 173.938 174.090 0.059 0.000 1.224 275 c CA -0.728 55.609 56.329 0.013 0.000 1.408 275 c CB -0.428 42.018 42.510 -0.107 0.000 2.089 275 c HN 0.566 nan 8.230 nan 0.000 0.456 276 K N 8.190 128.582 120.400 -0.012 0.000 2.281 276 K HA 0.488 4.808 4.320 -0.001 0.000 0.272 276 K C -2.284 174.254 176.600 -0.105 0.000 1.048 276 K CA -1.318 54.958 56.287 -0.019 0.000 0.898 276 K CB 1.251 33.758 32.500 0.011 0.000 1.128 276 K HN 0.552 nan 8.250 nan 0.000 0.460 277 P HA 0.032 nan 4.420 nan 0.000 0.274 277 P C -0.682 176.613 177.300 -0.007 0.000 1.246 277 P CA -0.322 62.595 63.100 -0.306 0.000 0.795 277 P CB 0.678 31.972 31.700 -0.676 0.000 1.006 278 D N 0.182 120.564 120.400 -0.030 0.000 2.362 278 D HA 0.126 4.765 4.640 -0.001 0.000 0.242 278 D C -0.438 175.917 176.300 0.092 0.000 1.132 278 D CA 0.380 54.409 54.000 0.048 0.000 0.907 278 D CB 0.439 41.291 40.800 0.086 0.000 1.195 278 D HN 0.233 nan 8.370 nan 0.000 0.429 279 Q N 1.769 121.517 119.800 -0.086 0.000 2.274 279 Q HA 0.306 4.646 4.340 -0.001 0.000 0.268 279 Q C -1.567 174.293 176.000 -0.233 0.000 1.015 279 Q CA -0.781 54.797 55.803 -0.375 0.000 0.775 279 Q CB 1.201 29.429 28.738 -0.850 0.000 1.256 279 Q HN 0.275 nan 8.270 nan 0.000 0.442 280 Q N 2.791 122.471 119.800 -0.202 0.000 2.269 280 Q HA 0.216 4.555 4.340 -0.001 0.000 0.263 280 Q C -0.975 174.951 176.000 -0.124 0.000 0.983 280 Q CA -0.473 55.260 55.803 -0.117 0.000 0.777 280 Q CB 1.685 30.389 28.738 -0.056 0.000 1.273 280 Q HN 0.872 nan 8.270 nan 0.000 0.440 281 N N 1.504 120.137 118.700 -0.112 0.000 2.725 281 N HA -0.245 4.494 4.740 -0.001 0.000 0.251 281 N C 0.597 176.034 175.510 -0.121 0.000 1.031 281 N CA 1.910 54.904 53.050 -0.094 0.000 0.720 281 N CB -0.925 37.526 38.487 -0.060 0.000 0.930 281 N HN 1.074 nan 8.380 nan 0.000 0.543 282 G N -1.222 107.465 108.800 -0.187 0.000 2.166 282 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 282 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 282 G C 0.134 174.887 174.900 -0.245 0.000 0.986 282 G CA 0.590 45.558 45.100 -0.220 0.000 0.683 282 G HN 0.597 nan 8.290 nan 0.000 0.527 283 I N -0.585 119.837 120.570 -0.246 0.000 2.418 283 I HA 0.403 4.572 4.170 -0.001 0.000 0.287 283 I C 0.145 176.162 176.117 -0.167 0.000 1.008 283 I CA -1.163 60.048 61.300 -0.147 0.000 1.104 283 I CB 1.060 39.032 38.000 -0.046 0.000 1.264 283 I HN 0.105 nan 8.210 nan 0.000 0.438 284 W N 6.907 128.223 121.300 0.028 0.000 2.216 284 W HA 0.449 5.108 4.660 -0.001 0.000 0.326 284 W C -0.193 176.305 176.519 -0.035 0.000 1.319 284 W CA -0.186 57.156 57.345 -0.004 0.000 1.213 284 W CB 0.569 30.061 29.460 0.053 0.000 1.171 284 W HN 0.220 nan 8.180 nan 0.000 0.557 285 I N 4.998 125.680 120.570 0.187 0.000 2.436 285 I HA 0.397 4.566 4.170 -0.001 0.000 0.289 285 I C -0.205 175.890 176.117 -0.036 0.000 1.010 285 I CA -1.233 60.115 61.300 0.080 0.000 1.098 285 I CB 1.008 39.081 38.000 0.122 0.000 1.266 285 I HN 0.146 nan 8.210 nan 0.000 0.434 286 V N 2.840 122.696 119.914 -0.096 0.000 2.960 286 V HA 0.744 4.863 4.120 -0.001 0.000 0.315 286 V C -0.922 175.167 176.094 -0.008 0.000 1.087 286 V CA -0.431 61.767 62.300 -0.169 0.000 0.982 286 V CB 1.998 33.608 31.823 -0.355 0.000 1.039 286 V HN 0.910 nan 8.190 nan 0.000 0.437 287 Q N 1.441 121.310 119.800 0.115 0.000 2.403 287 Q HA 0.690 5.029 4.340 -0.001 0.000 0.267 287 Q C -0.914 175.166 176.000 0.133 0.000 0.991 287 Q CA -0.109 55.791 55.803 0.162 0.000 0.906 287 Q CB 2.227 30.972 28.738 0.012 0.000 1.422 287 Q HN 1.331 nan 8.270 nan 0.000 0.400 288 A N 3.064 125.956 122.820 0.120 0.000 2.827 288 A HA 0.294 4.614 4.320 -0.001 0.000 0.300 288 A C 0.256 177.965 177.584 0.209 0.000 1.237 288 A CA 0.762 52.815 52.037 0.027 0.000 0.964 288 A CB -0.583 18.338 19.000 -0.132 0.000 1.143 288 A HN 1.136 nan 8.150 nan 0.000 0.554 289 H N 0.207 119.289 119.070 0.019 0.000 1.475 289 H HA -0.282 4.273 4.556 -0.001 0.000 0.090 289 H C 0.264 175.572 175.328 -0.033 0.000 0.616 289 H CA 1.958 58.013 56.048 0.011 0.000 1.899 289 H CB -0.940 28.907 29.762 0.141 0.000 2.253 289 H HN 0.715 nan 8.280 nan 0.000 0.961 290 E N -1.147 119.021 120.200 -0.053 0.000 2.417 290 E HA 0.145 4.494 4.350 -0.001 0.000 0.280 290 E C -0.928 175.548 176.600 -0.206 0.000 1.112 290 E CA -0.172 56.106 56.400 -0.203 0.000 0.863 290 E CB 0.616 29.951 29.700 -0.608 0.000 1.346 290 E HN 0.478 nan 8.360 nan 0.000 0.443 291 W N 0.320 121.413 121.300 -0.345 0.000 3.520 291 W HA -0.189 4.471 4.660 -0.001 0.000 0.305 291 W C 1.139 177.339 176.519 -0.532 0.000 1.150 291 W CA 2.101 59.022 57.345 -0.707 0.000 0.656 291 W CB -2.266 26.375 29.460 -1.366 0.000 2.198 291 W HN 1.622 nan 8.180 nan 0.000 1.417 292 G N -0.888 107.928 108.800 0.026 0.000 2.168 292 G HA2 -0.447 3.512 3.960 -0.001 0.000 0.257 292 G HA3 -0.447 3.512 3.960 -0.001 0.000 0.257 292 G C 1.400 176.291 174.900 -0.015 0.000 0.997 292 G CA 0.889 46.038 45.100 0.083 0.000 0.708 292 G HN 0.432 nan 8.290 nan 0.000 0.520 293 K N -1.523 118.766 120.400 -0.184 0.000 2.113 293 K HA -0.042 4.277 4.320 -0.001 0.000 0.208 293 K C 0.502 176.843 176.600 -0.432 0.000 1.047 293 K CA 1.466 57.559 56.287 -0.323 0.000 0.928 293 K CB -0.033 32.134 32.500 -0.554 0.000 0.716 293 K HN 0.604 nan 8.250 nan 0.000 0.446 294 Y N -1.525 118.780 120.300 0.008 0.000 2.553 294 Y HA 0.360 4.910 4.550 -0.001 0.000 0.347 294 Y C -0.543 175.321 175.900 -0.060 0.000 1.019 294 Y CA -1.307 56.784 58.100 -0.016 0.000 1.032 294 Y CB 1.663 40.105 38.460 -0.031 0.000 1.284 294 Y HN -0.428 nan 8.280 nan 0.000 0.466 295 V N 2.076 122.042 119.914 0.086 0.000 2.347 295 V HA 0.605 4.725 4.120 -0.001 0.000 0.280 295 V C 0.352 176.359 176.094 -0.145 0.000 1.021 295 V CA -0.750 61.523 62.300 -0.045 0.000 0.847 295 V CB 1.162 32.959 31.823 -0.045 0.000 0.990 295 V HN 0.942 nan 8.190 nan 0.000 0.444 296 G N 3.954 112.531 108.800 -0.371 0.000 2.444 296 G HA2 0.543 4.502 3.960 -0.001 0.000 0.268 296 G HA3 0.543 4.502 3.960 -0.001 0.000 0.268 296 G C -0.339 174.469 174.900 -0.154 0.000 1.203 296 G CA -0.451 44.405 45.100 -0.408 0.000 0.835 296 G HN 0.661 nan 8.290 nan 0.000 0.543 297 R N 1.228 121.536 120.500 -0.319 0.000 2.468 297 R HA 0.527 4.866 4.340 -0.001 0.000 0.302 297 R C -0.742 175.397 176.300 -0.269 0.000 1.041 297 R CA -0.593 55.382 56.100 -0.209 0.000 0.899 297 R CB 1.130 31.299 30.300 -0.219 0.000 1.167 297 R HN 0.595 nan 8.270 nan 0.000 0.483 298 A N 4.590 127.400 122.820 -0.016 0.000 2.273 298 A HA 0.325 4.644 4.320 -0.001 0.000 0.320 298 A C -0.885 176.598 177.584 -0.168 0.000 1.358 298 A CA -0.723 51.270 52.037 -0.074 0.000 0.910 298 A CB 0.534 19.578 19.000 0.074 0.000 1.159 298 A HN 0.703 nan 8.150 nan 0.000 0.526 299 D N 2.226 122.452 120.400 -0.291 0.000 2.249 299 D HA 0.517 5.156 4.640 -0.001 0.000 0.246 299 D C -0.911 175.203 176.300 -0.311 0.000 1.114 299 D CA 0.600 54.497 54.000 -0.173 0.000 0.854 299 D CB 1.185 41.907 40.800 -0.129 0.000 1.132 299 D HN 0.348 nan 8.370 nan 0.000 0.461 300 F N 0.691 120.629 119.950 -0.019 0.000 2.593 300 F HA 0.226 4.753 4.527 -0.001 0.000 0.320 300 F C 0.514 176.340 175.800 0.044 0.000 1.060 300 F CA -1.000 57.001 58.000 0.002 0.000 0.940 300 F CB 1.862 40.877 39.000 0.024 0.000 1.268 300 F HN 0.184 nan 8.300 nan 0.000 0.475 301 E N 1.338 121.710 120.200 0.287 0.000 2.187 301 E HA 0.424 4.774 4.350 -0.001 0.000 0.268 301 E C -1.832 174.918 176.600 0.250 0.000 0.896 301 E CA -0.671 55.862 56.400 0.222 0.000 0.766 301 E CB 2.493 32.270 29.700 0.128 0.000 1.142 301 E HN 0.481 nan 8.360 nan 0.000 0.408 302 F N 3.750 123.761 119.950 0.102 0.000 2.388 302 F HA 0.425 4.951 4.527 -0.001 0.000 0.358 302 F C -0.574 175.242 175.800 0.027 0.000 1.122 302 F CA -0.707 57.300 58.000 0.013 0.000 1.056 302 F CB 1.096 40.038 39.000 -0.097 0.000 1.155 302 F HN 0.437 nan 8.300 nan 0.000 0.461 303 R N 5.661 125.778 120.500 -0.638 0.000 2.574 303 R HA 0.296 4.635 4.340 -0.001 0.000 0.288 303 R C -0.464 175.347 176.300 -0.815 0.000 1.004 303 R CA -0.334 55.429 56.100 -0.563 0.000 0.895 303 R CB 1.099 31.284 30.300 -0.191 0.000 1.191 303 R HN 0.995 nan 8.270 nan 0.000 0.444 304 N N 2.447 120.685 118.700 -0.770 0.000 2.735 304 N HA -0.260 4.479 4.740 -0.001 0.000 0.248 304 N C 0.538 175.757 175.510 -0.485 0.000 1.083 304 N CA 0.836 53.624 53.050 -0.437 0.000 0.703 304 N CB -0.676 37.724 38.487 -0.145 0.000 1.005 304 N HN 1.058 nan 8.380 nan 0.000 0.550 305 G N -0.914 107.292 108.800 -0.991 0.000 2.199 305 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.254 305 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.254 305 G C -0.129 174.636 174.900 -0.224 0.000 0.982 305 G CA 0.686 45.608 45.100 -0.296 0.000 0.632 305 G HN 0.527 nan 8.290 nan 0.000 0.529 306 E N -0.086 119.845 120.200 -0.449 0.000 2.221 306 E HA 0.725 5.074 4.350 -0.001 0.000 0.268 306 E C -0.118 176.398 176.600 -0.140 0.000 0.933 306 E CA -0.889 55.404 56.400 -0.179 0.000 0.809 306 E CB 1.064 30.698 29.700 -0.111 0.000 1.190 306 E HN 0.083 nan 8.360 nan 0.000 0.406 307 M N 2.111 121.744 119.600 0.056 0.000 2.243 307 M HA 0.333 4.812 4.480 -0.001 0.000 0.324 307 M C -0.826 175.640 176.300 0.276 0.000 1.031 307 M CA -0.528 54.874 55.300 0.170 0.000 0.949 307 M CB 1.531 34.182 32.600 0.086 0.000 1.615 307 M HN 0.323 nan 8.290 nan 0.000 0.430 308 K N 3.511 124.104 120.400 0.321 0.000 2.358 308 K HA 0.471 4.790 4.320 -0.001 0.000 0.260 308 K C -0.916 175.863 176.600 0.298 0.000 0.956 308 K CA -0.416 56.052 56.287 0.302 0.000 0.834 308 K CB 1.877 34.471 32.500 0.156 0.000 1.102 308 K HN 0.769 nan 8.250 nan 0.000 0.431 309 M N 5.790 125.484 119.600 0.156 0.000 2.194 309 M HA 0.031 4.510 4.480 -0.001 0.000 0.347 309 M C 0.054 176.186 176.300 -0.280 0.000 1.439 309 M CA -0.155 54.877 55.300 -0.446 0.000 1.131 309 M CB 0.972 32.949 32.600 -1.037 0.000 1.733 309 M HN 0.592 nan 8.290 nan 0.000 0.467 310 V N 4.512 124.260 119.914 -0.277 0.000 2.331 310 V HA 0.042 4.161 4.120 -0.001 0.000 0.242 310 V C 0.610 176.586 176.094 -0.196 0.000 1.034 310 V CA 1.214 63.418 62.300 -0.160 0.000 1.027 310 V CB -0.263 31.503 31.823 -0.095 0.000 0.667 310 V HN 0.919 nan 8.190 nan 0.000 0.457 311 N N -1.781 116.760 118.700 -0.265 0.000 2.331 311 N HA 0.412 5.151 4.740 -0.001 0.000 0.280 311 N C -1.873 173.492 175.510 -0.241 0.000 1.155 311 N CA -0.526 52.395 53.050 -0.214 0.000 0.822 311 N CB 2.141 40.537 38.487 -0.152 0.000 1.619 311 N HN 0.143 nan 8.380 nan 0.000 0.476 312 Y N 1.766 121.883 120.300 -0.305 0.000 2.406 312 Y HA 0.436 4.985 4.550 -0.001 0.000 0.340 312 Y C -1.253 174.542 175.900 -0.174 0.000 0.975 312 Y CA -0.301 57.633 58.100 -0.277 0.000 1.056 312 Y CB 1.245 39.496 38.460 -0.348 0.000 1.210 312 Y HN 0.593 nan 8.280 nan 0.000 0.448 313 Q N 5.078 124.313 119.800 -0.941 0.000 2.511 313 Q HA 0.598 4.937 4.340 -0.001 0.000 0.289 313 Q C -2.267 173.295 176.000 -0.731 0.000 1.021 313 Q CA -1.205 54.233 55.803 -0.608 0.000 0.785 313 Q CB 2.727 31.288 28.738 -0.294 0.000 1.472 313 Q HN 0.727 nan 8.270 nan 0.000 0.411 314 L N 2.226 123.233 121.223 -0.361 0.000 2.287 314 L HA 0.520 4.859 4.340 -0.001 0.000 0.287 314 L C -0.669 176.171 176.870 -0.049 0.000 1.022 314 L CA -0.811 53.862 54.840 -0.278 0.000 0.814 314 L CB 1.344 43.119 42.059 -0.474 0.000 1.217 314 L HN 0.568 nan 8.230 nan 0.000 0.420 315 I N 5.588 126.160 120.570 0.004 0.000 2.301 315 I HA 0.253 4.422 4.170 -0.001 0.000 0.292 315 I C -2.100 174.138 176.117 0.202 0.000 1.046 315 I CA -1.939 59.404 61.300 0.071 0.000 1.282 315 I CB 1.018 39.013 38.000 -0.009 0.000 1.409 315 I HN 0.268 nan 8.210 nan 0.000 0.484 316 P HA 0.032 nan 4.420 nan 0.000 0.268 316 P C -0.443 176.872 177.300 0.025 0.000 1.205 316 P CA -0.142 63.000 63.100 0.071 0.000 0.771 316 P CB 0.665 32.396 31.700 0.052 0.000 0.858 317 V N 4.132 124.037 119.914 -0.014 0.000 2.218 317 V HA 0.154 4.273 4.120 -0.001 0.000 0.261 317 V C 0.397 176.510 176.094 0.032 0.000 1.142 317 V CA -0.404 61.913 62.300 0.028 0.000 0.965 317 V CB -0.960 30.901 31.823 0.062 0.000 1.190 317 V HN 0.651 nan 8.190 nan 0.000 0.478 318 N N 1.748 120.461 118.700 0.021 0.000 2.725 318 N HA -0.180 4.559 4.740 -0.001 0.000 0.249 318 N C -0.001 175.525 175.510 0.027 0.000 1.103 318 N CA 0.627 53.683 53.050 0.010 0.000 0.707 318 N CB -0.935 37.534 38.487 -0.030 0.000 1.043 318 N HN 0.607 nan 8.380 nan 0.000 0.553 319 L N -0.029 121.238 121.223 0.073 0.000 2.485 319 L HA 0.072 4.411 4.340 -0.001 0.000 0.275 319 L C 0.943 177.943 176.870 0.218 0.000 1.207 319 L CA 0.790 55.718 54.840 0.147 0.000 0.855 319 L CB 0.331 42.456 42.059 0.111 0.000 1.114 319 L HN -0.004 nan 8.230 nan 0.000 0.485 320 K N 2.765 123.251 120.400 0.142 0.000 2.426 320 K HA 0.426 4.746 4.320 -0.001 0.000 0.251 320 K C -1.098 175.431 176.600 -0.118 0.000 0.941 320 K CA -0.983 55.262 56.287 -0.069 0.000 0.808 320 K CB 2.678 35.122 32.500 -0.094 0.000 1.265 320 K HN 0.448 nan 8.250 nan 0.000 0.432 321 K N 1.792 121.947 120.400 -0.407 0.000 2.221 321 K HA 0.318 4.637 4.320 -0.001 0.000 0.258 321 K C -0.683 175.774 176.600 -0.238 0.000 0.944 321 K CA -0.916 55.202 56.287 -0.281 0.000 0.823 321 K CB 1.792 34.063 32.500 -0.381 0.000 1.113 321 K HN 0.280 nan 8.250 nan 0.000 0.431 322 K N 3.192 123.486 120.400 -0.175 0.000 2.412 322 K HA 0.115 4.434 4.320 -0.001 0.000 0.284 322 K C -1.024 175.496 176.600 -0.133 0.000 1.046 322 K CA -0.153 56.029 56.287 -0.175 0.000 0.999 322 K CB 0.863 33.272 32.500 -0.151 0.000 0.941 322 K HN 0.530 nan 8.250 nan 0.000 0.474 331 E N 3.431 123.577 120.200 -0.091 0.000 2.459 331 E HA 0.682 5.032 4.350 -0.001 0.000 0.275 331 E C -1.234 175.267 176.600 -0.165 0.000 0.987 331 E CA -1.335 55.000 56.400 -0.109 0.000 0.828 331 E CB 1.076 30.729 29.700 -0.078 0.000 1.428 331 E HN 0.343 nan 8.360 nan 0.000 0.457 332 R N 0.778 121.172 120.500 -0.178 0.000 2.437 332 R HA 0.487 4.826 4.340 -0.001 0.000 0.310 332 R C -0.749 175.450 176.300 -0.169 0.000 0.955 332 R CA -0.817 55.152 56.100 -0.218 0.000 0.851 332 R CB 1.802 31.930 30.300 -0.287 0.000 1.161 332 R HN 0.544 nan 8.270 nan 0.000 0.446 333 V N 0.659 120.449 119.914 -0.207 0.000 2.680 333 V HA 0.534 4.653 4.120 -0.001 0.000 0.309 333 V C 0.313 176.252 176.094 -0.258 0.000 1.052 333 V CA -1.249 60.933 62.300 -0.197 0.000 0.908 333 V CB 1.768 33.477 31.823 -0.189 0.000 1.001 333 V HN 0.574 nan 8.190 nan 0.000 0.431 334 L N 2.972 124.097 121.223 -0.163 0.000 2.499 334 L HA 0.164 4.503 4.340 -0.001 0.000 0.281 334 L C 0.877 177.652 176.870 -0.159 0.000 1.234 334 L CA 0.329 55.102 54.840 -0.112 0.000 0.839 334 L CB 0.116 42.152 42.059 -0.039 0.000 1.104 334 L HN 0.768 nan 8.230 nan 0.000 0.500 335 Y N -0.339 119.944 120.300 -0.030 0.000 2.347 335 Y HA -0.008 4.542 4.550 -0.001 0.000 0.294 335 Y C 1.401 177.290 175.900 -0.018 0.000 1.117 335 Y CA 0.622 58.707 58.100 -0.025 0.000 1.184 335 Y CB 0.255 38.704 38.460 -0.019 0.000 1.047 335 Y HN 0.722 nan 8.280 nan 0.000 0.546 336 T N -3.672 110.970 114.554 0.147 0.000 2.838 336 T HA 0.506 4.855 4.350 -0.001 0.000 0.292 336 T C -2.946 171.780 174.700 0.043 0.000 1.113 336 T CA -2.384 59.766 62.100 0.082 0.000 1.008 336 T CB 1.563 70.479 68.868 0.080 0.000 1.259 336 T HN -0.405 nan 8.240 nan 0.000 0.520 337 P HA 0.214 nan 4.420 nan 0.000 0.266 337 P C -0.305 176.997 177.300 0.005 0.000 1.195 337 P CA -0.162 62.943 63.100 0.008 0.000 0.768 337 P CB 0.251 31.953 31.700 0.003 0.000 0.838 338 E N 2.270 122.467 120.200 -0.006 0.000 2.414 338 E HA 0.111 4.460 4.350 -0.001 0.000 0.263 338 E C -0.585 176.007 176.600 -0.014 0.000 1.000 338 E CA -0.102 56.290 56.400 -0.013 0.000 0.914 338 E CB 0.199 29.886 29.700 -0.022 0.000 0.948 338 E HN 0.324 nan 8.360 nan 0.000 0.444 339 I N 3.799 124.359 120.570 -0.017 0.000 2.362 339 I HA 0.298 4.467 4.170 -0.001 0.000 0.289 339 I C 0.234 176.333 176.117 -0.029 0.000 0.994 339 I CA -0.682 60.607 61.300 -0.018 0.000 1.158 339 I CB 1.625 39.617 38.000 -0.012 0.000 1.315 339 I HN 0.544 nan 8.210 nan 0.000 0.451 340 A N 5.944 128.747 122.820 -0.027 0.000 2.425 340 A HA 0.216 4.535 4.320 -0.001 0.000 0.242 340 A C 0.153 177.713 177.584 -0.041 0.000 1.077 340 A CA -0.231 51.785 52.037 -0.034 0.000 0.781 340 A CB 0.138 19.123 19.000 -0.025 0.000 1.020 340 A HN 0.731 nan 8.150 nan 0.000 0.494 341 E N 1.834 122.000 120.200 -0.058 0.000 2.223 341 E HA 0.005 4.355 4.350 -0.001 0.000 0.282 341 E C -0.144 176.432 176.600 -0.040 0.000 1.046 341 E CA -0.389 55.970 56.400 -0.069 0.000 0.857 341 E CB 0.561 30.187 29.700 -0.123 0.000 1.055 341 E HN 0.680 nan 8.360 nan 0.000 0.409 342 N N 3.166 121.852 118.700 -0.023 0.000 2.365 342 N HA -0.142 4.597 4.740 -0.001 0.000 0.265 342 N C 0.877 176.391 175.510 0.006 0.000 1.288 342 N CA 0.194 53.242 53.050 -0.003 0.000 0.869 342 N CB 0.934 39.427 38.487 0.010 0.000 1.071 342 N HN 0.455 nan 8.380 nan 0.000 0.480 343 Q N 3.302 123.109 119.800 0.011 0.000 2.084 343 Q HA -0.240 4.099 4.340 -0.001 0.000 0.202 343 Q C 1.893 177.919 176.000 0.043 0.000 0.978 343 Q CA 1.892 57.709 55.803 0.023 0.000 0.844 343 Q CB -0.226 28.525 28.738 0.021 0.000 0.898 343 Q HN 0.805 nan 8.270 nan 0.000 0.426 344 Q N -1.095 118.730 119.800 0.042 0.000 2.170 344 Q HA -0.186 4.153 4.340 -0.001 0.000 0.203 344 Q C 1.898 177.942 176.000 0.073 0.000 0.976 344 Q CA 1.656 57.491 55.803 0.053 0.000 0.858 344 Q CB -0.110 28.655 28.738 0.045 0.000 0.907 344 Q HN 0.474 nan 8.270 nan 0.000 0.433 345 M N 0.120 119.763 119.600 0.071 0.000 2.156 345 M HA -0.107 4.372 4.480 -0.001 0.000 0.264 345 M C 1.627 178.012 176.300 0.142 0.000 1.067 345 M CA 1.221 56.579 55.300 0.097 0.000 1.131 345 M CB -0.082 32.564 32.600 0.076 0.000 1.368 345 M HN 0.248 nan 8.290 nan 0.000 0.416 346 I N -0.404 120.233 120.570 0.111 0.000 2.226 346 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 346 I C 2.113 178.367 176.117 0.229 0.000 1.100 346 I CA 1.382 62.784 61.300 0.171 0.000 1.374 346 I CB -1.643 36.407 38.000 0.084 0.000 1.057 346 I HN 0.295 nan 8.210 nan 0.000 0.413 347 S N 0.996 116.786 115.700 0.149 0.000 2.402 347 S HA -0.128 4.341 4.470 -0.001 0.000 0.229 347 S C 1.950 176.630 174.600 0.133 0.000 1.021 347 S CA 0.786 59.060 58.200 0.125 0.000 0.974 347 S CB -0.409 62.839 63.200 0.080 0.000 0.800 347 S HN 0.334 nan 8.310 nan 0.000 0.484 348 L N 1.483 122.796 121.223 0.150 0.000 2.056 348 L HA 0.104 4.443 4.340 -0.001 0.000 0.207 348 L C 1.844 178.877 176.870 0.271 0.000 1.078 348 L CA 1.678 56.621 54.840 0.172 0.000 0.749 348 L CB -0.375 41.768 42.059 0.140 0.000 0.901 348 L HN 0.264 nan 8.230 nan 0.000 0.433 349 L N -1.931 119.483 121.223 0.318 0.000 2.249 349 L HA -0.001 4.338 4.340 -0.001 0.000 0.207 349 L C 2.399 179.503 176.870 0.390 0.000 1.090 349 L CA 0.561 55.652 54.840 0.419 0.000 0.802 349 L CB -0.475 41.921 42.059 0.562 0.000 0.947 349 L HN 0.140 nan 8.230 nan 0.000 0.453 350 S N 0.785 116.692 115.700 0.344 0.000 2.372 350 S HA -0.139 4.331 4.470 -0.001 0.000 0.227 350 S C -0.535 174.036 174.600 -0.048 0.000 1.044 350 S CA 1.828 60.086 58.200 0.097 0.000 1.050 350 S CB -1.144 62.155 63.200 0.165 0.000 0.901 350 S HN 0.308 nan 8.310 nan 0.000 0.447 351 P HA -0.037 nan 4.420 nan 0.000 0.218 351 P C 0.914 178.042 177.300 -0.287 0.000 1.149 351 P CA 0.973 63.947 63.100 -0.210 0.000 0.817 351 P CB -0.109 31.407 31.700 -0.306 0.000 0.785 352 F N -0.355 119.505 119.950 -0.150 0.000 2.128 352 F HA -0.132 4.394 4.527 -0.001 0.000 0.295 352 F C 2.732 178.455 175.800 -0.128 0.000 1.100 352 F CA 1.270 59.150 58.000 -0.201 0.000 1.260 352 F CB -1.265 37.493 39.000 -0.403 0.000 1.009 352 F HN -0.131 nan 8.300 nan 0.000 0.476 353 Q N 1.024 120.862 119.800 0.063 0.000 2.045 353 Q HA -0.226 4.113 4.340 -0.001 0.000 0.206 353 Q C 1.864 177.726 176.000 -0.230 0.000 0.991 353 Q CA 2.167 57.847 55.803 -0.206 0.000 0.851 353 Q CB -0.560 27.565 28.738 -1.022 0.000 0.911 353 Q HN 0.214 nan 8.270 nan 0.000 0.418 354 N N -0.032 118.533 118.700 -0.224 0.000 2.188 354 N HA -0.137 4.602 4.740 -0.001 0.000 0.184 354 N C 1.425 176.860 175.510 -0.125 0.000 1.018 354 N CA 1.392 54.338 53.050 -0.173 0.000 0.858 354 N CB -0.301 38.099 38.487 -0.145 0.000 0.989 354 N HN 0.359 nan 8.380 nan 0.000 0.426 355 K N 0.504 120.834 120.400 -0.117 0.000 2.097 355 K HA -0.032 4.287 4.320 -0.001 0.000 0.205 355 K C 1.971 178.540 176.600 -0.051 0.000 1.050 355 K CA 1.243 57.475 56.287 -0.091 0.000 0.938 355 K CB -0.319 32.108 32.500 -0.122 0.000 0.718 355 K HN 0.134 nan 8.250 nan 0.000 0.442 356 G N 1.567 110.348 108.800 -0.032 0.000 2.446 356 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 356 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 356 G C 1.403 176.262 174.900 -0.069 0.000 1.168 356 G CA 0.590 45.679 45.100 -0.018 0.000 0.771 356 G HN 0.160 nan 8.290 nan 0.000 0.551 357 K N 0.861 121.197 120.400 -0.107 0.000 2.025 357 K HA 0.038 4.357 4.320 -0.001 0.000 0.207 357 K C 2.978 179.528 176.600 -0.083 0.000 1.049 357 K CA 1.143 57.358 56.287 -0.119 0.000 0.933 357 K CB -0.876 31.543 32.500 -0.136 0.000 0.714 357 K HN 0.237 nan 8.250 nan 0.000 0.438 358 A N 1.476 124.253 122.820 -0.071 0.000 1.927 358 A HA -0.274 4.046 4.320 -0.001 0.000 0.220 358 A C 2.185 179.752 177.584 -0.029 0.000 1.185 358 A CA 2.213 54.221 52.037 -0.049 0.000 0.639 358 A CB -0.546 18.424 19.000 -0.049 0.000 0.820 358 A HN 0.384 nan 8.150 nan 0.000 0.451 359 Q N -0.150 119.639 119.800 -0.019 0.000 2.369 359 Q HA 0.066 4.406 4.340 -0.001 0.000 0.206 359 Q C 1.591 177.616 176.000 0.040 0.000 0.963 359 Q CA 0.993 56.805 55.803 0.014 0.000 0.894 359 Q CB -0.580 28.176 28.738 0.029 0.000 0.965 359 Q HN 0.696 nan 8.270 nan 0.000 0.475 360 L N 0.213 121.438 121.223 0.002 0.000 2.201 360 L HA -0.101 4.238 4.340 -0.001 0.000 0.212 360 L C 1.816 178.708 176.870 0.037 0.000 1.105 360 L CA 0.895 55.742 54.840 0.011 0.000 0.775 360 L CB -0.397 41.596 42.059 -0.110 0.000 0.913 360 L HN 0.212 nan 8.230 nan 0.000 0.440 361 E N -0.047 120.159 120.200 0.010 0.000 2.358 361 E HA 0.035 4.385 4.350 -0.001 0.000 0.195 361 E C 0.707 177.319 176.600 0.020 0.000 1.010 361 E CA 0.204 56.609 56.400 0.009 0.000 0.856 361 E CB 0.128 29.823 29.700 -0.007 0.000 0.795 361 E HN 0.213 nan 8.360 nan 0.000 0.504 362 V N 2.275 122.206 119.914 0.029 0.000 2.775 362 V HA -0.008 4.111 4.120 -0.001 0.000 0.299 362 V C 0.700 176.811 176.094 0.028 0.000 1.062 362 V CA -0.385 61.930 62.300 0.025 0.000 1.063 362 V CB 1.088 32.927 31.823 0.026 0.000 0.994 362 V HN 0.038 nan 8.190 nan 0.000 0.483 363 K N 4.025 124.434 120.400 0.015 0.000 2.412 363 K HA 0.142 4.461 4.320 -0.001 0.000 0.284 363 K C 0.780 177.382 176.600 0.005 0.000 1.046 363 K CA -0.053 56.239 56.287 0.009 0.000 0.999 363 K CB 0.310 32.812 32.500 0.004 0.000 0.941 363 K HN 0.717 nan 8.250 nan 0.000 0.474 364 I N 0.629 121.197 120.570 -0.004 0.000 3.941 364 I HA 0.377 4.546 4.170 -0.001 0.000 0.321 364 I C 0.619 176.716 176.117 -0.033 0.000 1.284 364 I CA -0.306 60.979 61.300 -0.025 0.000 1.226 364 I CB 0.668 38.634 38.000 -0.058 0.000 1.045 364 I HN 0.665 nan 8.210 nan 0.000 0.420 365 G N 1.520 110.306 108.800 -0.023 0.000 2.340 365 G HA2 0.485 4.445 3.960 -0.001 0.000 0.299 365 G HA3 0.485 4.445 3.960 -0.001 0.000 0.299 365 G C -2.025 172.869 174.900 -0.010 0.000 1.291 365 G CA -0.370 44.717 45.100 -0.023 0.000 0.841 365 G HN 0.427 nan 8.290 nan 0.000 0.500 366 E N -1.641 118.556 120.200 -0.006 0.000 2.392 366 E HA 0.652 5.001 4.350 -0.001 0.000 0.279 366 E C -1.557 175.053 176.600 0.016 0.000 0.964 366 E CA -0.894 55.508 56.400 0.005 0.000 0.777 366 E CB 2.310 32.013 29.700 0.006 0.000 1.249 366 E HN 0.623 nan 8.360 nan 0.000 0.449 367 T N 0.342 114.910 114.554 0.023 0.000 2.900 367 T HA 0.260 4.610 4.350 -0.001 0.000 0.295 367 T C -0.060 174.662 174.700 0.037 0.000 1.044 367 T CA -0.537 61.587 62.100 0.040 0.000 0.995 367 T CB 1.064 69.957 68.868 0.043 0.000 1.072 367 T HN 0.602 nan 8.240 nan 0.000 0.473 368 N N 2.175 120.903 118.700 0.046 0.000 2.336 368 N HA 0.266 5.005 4.740 -0.001 0.000 0.189 368 N C 0.474 176.008 175.510 0.040 0.000 1.113 368 N CA -0.192 52.880 53.050 0.037 0.000 0.858 368 N CB 0.441 38.948 38.487 0.034 0.000 0.970 368 N HN 0.721 nan 8.380 nan 0.000 0.471 369 G N -0.502 108.328 108.800 0.050 0.000 2.690 369 G HA2 0.409 4.368 3.960 -0.001 0.000 0.293 369 G HA3 0.409 4.368 3.960 -0.001 0.000 0.293 369 G C -1.464 173.464 174.900 0.048 0.000 1.399 369 G CA -1.075 44.054 45.100 0.049 0.000 0.890 369 G HN 0.186 nan 8.290 nan 0.000 0.485 370 R N 0.641 121.165 120.500 0.040 0.000 2.458 370 R HA 0.161 4.500 4.340 -0.001 0.000 0.303 370 R C -0.281 176.047 176.300 0.046 0.000 1.013 370 R CA -0.054 56.068 56.100 0.037 0.000 1.026 370 R CB 0.023 30.341 30.300 0.030 0.000 0.948 370 R HN 0.363 nan 8.270 nan 0.000 0.417 371 L N 4.321 125.568 121.223 0.040 0.000 2.283 371 L HA 0.161 4.501 4.340 -0.001 0.000 0.287 371 L C 0.152 177.045 176.870 0.039 0.000 1.073 371 L CA -0.345 54.520 54.840 0.042 0.000 0.822 371 L CB 1.173 43.245 42.059 0.021 0.000 1.186 371 L HN 0.559 nan 8.230 nan 0.000 0.436 372 E N 2.434 122.665 120.200 0.052 0.000 2.166 372 E HA 0.249 4.598 4.350 -0.001 0.000 0.279 372 E C 0.700 177.334 176.600 0.056 0.000 1.095 372 E CA 0.037 56.469 56.400 0.053 0.000 0.888 372 E CB 1.063 30.801 29.700 0.063 0.000 1.041 372 E HN 0.595 nan 8.360 nan 0.000 0.414 373 G N 3.884 112.711 108.800 0.045 0.000 3.735 373 G HA2 0.060 4.019 3.960 -0.001 0.000 0.283 373 G HA3 0.060 4.019 3.960 -0.001 0.000 0.283 373 G C -0.432 174.497 174.900 0.049 0.000 1.007 373 G CA -0.484 44.644 45.100 0.046 0.000 0.821 373 G HN 0.422 nan 8.290 nan 0.000 0.505 374 D N 0.332 120.763 120.400 0.052 0.000 2.345 374 D HA 0.160 4.800 4.640 -0.001 0.000 0.247 374 D C 1.508 177.854 176.300 0.077 0.000 1.108 374 D CA -0.422 53.609 54.000 0.051 0.000 0.894 374 D CB 1.547 42.370 40.800 0.038 0.000 1.203 374 D HN 0.059 nan 8.370 nan 0.000 0.430 375 R N 1.627 122.174 120.500 0.078 0.000 2.113 375 R HA -0.207 4.132 4.340 -0.001 0.000 0.244 375 R C 0.837 177.238 176.300 0.168 0.000 1.142 375 R CA 1.858 58.023 56.100 0.108 0.000 0.953 375 R CB -0.030 30.326 30.300 0.093 0.000 0.860 375 R HN 0.510 nan 8.270 nan 0.000 0.438 376 D N -0.465 120.023 120.400 0.146 0.000 2.352 376 D HA -0.079 4.561 4.640 -0.001 0.000 0.232 376 D C 0.723 177.098 176.300 0.124 0.000 1.055 376 D CA 0.570 54.676 54.000 0.177 0.000 0.891 376 D CB 0.283 41.081 40.800 -0.004 0.000 0.897 376 D HN 0.154 nan 8.370 nan 0.000 0.529 377 K N 0.018 120.508 120.400 0.149 0.000 2.312 377 K HA 0.084 4.404 4.320 -0.001 0.000 0.206 377 K C 2.220 178.933 176.600 0.189 0.000 1.121 377 K CA 1.091 57.459 56.287 0.135 0.000 0.923 377 K CB -0.771 31.777 32.500 0.080 0.000 1.162 377 K HN 0.189 nan 8.250 nan 0.000 0.478 378 V N 0.193 120.210 119.914 0.172 0.000 2.913 378 V HA -0.000 4.119 4.120 -0.001 0.000 0.260 378 V C 1.501 177.731 176.094 0.228 0.000 1.098 378 V CA 1.170 63.584 62.300 0.191 0.000 1.121 378 V CB -0.701 31.213 31.823 0.151 0.000 0.714 378 V HN 0.139 nan 8.190 nan 0.000 0.487 379 R N -1.658 118.924 120.500 0.137 0.000 2.393 379 R HA 0.406 4.745 4.340 -0.001 0.000 0.244 379 R C 0.965 176.882 176.300 -0.639 0.000 0.920 379 R CA 0.310 56.373 56.100 -0.060 0.000 1.076 379 R CB 0.120 30.364 30.300 -0.094 0.000 1.119 379 R HN 0.581 nan 8.270 nan 0.000 0.524 380 F N -0.651 118.991 119.950 -0.512 0.000 2.729 380 F HA 0.132 4.658 4.527 -0.002 0.000 0.304 380 F C 0.616 175.992 175.800 -0.707 0.000 1.008 380 F CA -0.461 57.136 58.000 -0.672 0.000 1.188 380 F CB 0.988 39.817 39.000 -0.285 0.000 0.980 380 F HN -0.267 nan 8.300 nan 0.000 0.627 381 V N -2.663 117.195 119.914 -0.093 0.000 3.206 381 V HA 0.512 4.631 4.120 -0.001 0.000 0.305 381 V C -1.015 175.323 176.094 0.407 0.000 1.257 381 V CA -1.276 61.145 62.300 0.200 0.000 1.057 381 V CB 1.362 33.291 31.823 0.177 0.000 1.075 381 V HN -0.178 nan 8.190 nan 0.000 0.443 382 Q N 2.166 122.223 119.800 0.429 0.000 2.311 382 Q HA 0.468 4.807 4.340 -0.001 0.000 0.272 382 Q C 0.339 176.481 176.000 0.236 0.000 1.012 382 Q CA 0.581 56.588 55.803 0.339 0.000 0.891 382 Q CB 1.050 29.971 28.738 0.305 0.000 1.201 382 Q HN 1.163 nan 8.270 nan 0.000 0.391 383 T N -1.707 112.968 114.554 0.200 0.000 2.888 383 T HA 0.294 4.644 4.350 -0.001 0.000 0.288 383 T C 1.057 175.845 174.700 0.147 0.000 1.063 383 T CA -0.643 61.550 62.100 0.156 0.000 1.010 383 T CB 0.797 69.745 68.868 0.133 0.000 1.214 383 T HN 0.480 nan 8.240 nan 0.000 0.533 384 N N 0.729 119.510 118.700 0.136 0.000 2.223 384 N HA -0.139 4.601 4.740 -0.001 0.000 0.185 384 N C 1.599 177.171 175.510 0.104 0.000 1.016 384 N CA 1.505 54.649 53.050 0.156 0.000 0.863 384 N CB -0.822 37.766 38.487 0.168 0.000 0.983 384 N HN 0.616 nan 8.380 nan 0.000 0.429 385 M N 0.779 120.420 119.600 0.070 0.000 2.200 385 M HA 0.206 4.685 4.480 -0.001 0.000 0.265 385 M C 1.974 178.289 176.300 0.025 0.000 1.066 385 M CA 1.522 56.836 55.300 0.022 0.000 1.127 385 M CB -0.854 31.764 32.600 0.029 0.000 1.379 385 M HN 0.189 nan 8.290 nan 0.000 0.420 386 G N 0.473 109.314 108.800 0.069 0.000 2.476 386 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 386 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 386 G C 1.687 176.630 174.900 0.072 0.000 1.164 386 G CA 0.866 46.013 45.100 0.078 0.000 0.768 386 G HN 0.384 nan 8.290 nan 0.000 0.560 387 R N -0.394 120.169 120.500 0.104 0.000 2.115 387 R HA 0.075 4.415 4.340 -0.001 0.000 0.226 387 R C 2.475 178.812 176.300 0.061 0.000 1.100 387 R CA 0.696 56.882 56.100 0.142 0.000 0.980 387 R CB -0.956 29.494 30.300 0.249 0.000 0.875 387 R HN 0.449 nan 8.270 nan 0.000 0.445 388 L N 1.055 122.209 121.223 -0.113 0.000 2.005 388 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 388 L C 2.125 178.857 176.870 -0.230 0.000 1.072 388 L CA 1.562 56.169 54.840 -0.389 0.000 0.744 388 L CB -0.498 41.280 42.059 -0.468 0.000 0.895 388 L HN 0.018 nan 8.230 nan 0.000 0.433 389 I N -0.877 119.619 120.570 -0.124 0.000 2.127 389 I HA -0.350 3.820 4.170 -0.001 0.000 0.241 389 I C 2.425 178.476 176.117 -0.110 0.000 1.075 389 I CA 1.598 62.843 61.300 -0.092 0.000 1.334 389 I CB -0.359 37.624 38.000 -0.028 0.000 1.040 389 I HN 0.273 nan 8.210 nan 0.000 0.405 390 L N 0.306 121.495 121.223 -0.057 0.000 2.083 390 L HA -0.192 4.147 4.340 -0.001 0.000 0.209 390 L C 2.853 179.670 176.870 -0.089 0.000 1.083 390 L CA 1.171 55.994 54.840 -0.028 0.000 0.752 390 L CB -0.760 41.327 42.059 0.048 0.000 0.899 390 L HN 0.261 nan 8.230 nan 0.000 0.433 391 A N 0.276 123.015 122.820 -0.135 0.000 1.908 391 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 391 A C 2.552 179.758 177.584 -0.630 0.000 1.181 391 A CA 1.882 53.768 52.037 -0.252 0.000 0.627 391 A CB -0.683 18.225 19.000 -0.154 0.000 0.818 391 A HN 0.410 nan 8.150 nan 0.000 0.445 392 A N -0.815 121.530 122.820 -0.791 0.000 1.902 392 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 392 A C 2.132 179.526 177.584 -0.316 0.000 1.181 392 A CA 1.686 53.254 52.037 -0.782 0.000 0.623 392 A CB -0.560 18.216 19.000 -0.373 0.000 0.818 392 A HN 0.668 nan 8.150 nan 0.000 0.443 393 Q N -1.082 118.606 119.800 -0.185 0.000 2.119 393 Q HA -0.053 4.286 4.340 -0.001 0.000 0.201 393 Q C 2.199 178.164 176.000 -0.058 0.000 0.972 393 Q CA 1.420 57.181 55.803 -0.069 0.000 0.847 393 Q CB -0.241 28.488 28.738 -0.014 0.000 0.903 393 Q HN 0.702 nan 8.270 nan 0.000 0.433 394 M N 0.357 119.907 119.600 -0.083 0.000 2.117 394 M HA -0.190 4.289 4.480 -0.001 0.000 0.262 394 M C 1.713 177.978 176.300 -0.058 0.000 1.065 394 M CA 1.567 56.833 55.300 -0.055 0.000 1.114 394 M CB -0.281 32.303 32.600 -0.025 0.000 1.361 394 M HN 0.166 nan 8.290 nan 0.000 0.408 395 D N 0.198 120.546 120.400 -0.087 0.000 2.117 395 D HA -0.209 4.430 4.640 -0.001 0.000 0.197 395 D C 1.982 178.267 176.300 -0.025 0.000 0.987 395 D CA 1.324 55.310 54.000 -0.023 0.000 0.829 395 D CB 0.044 40.867 40.800 0.039 0.000 0.961 395 D HN -0.019 nan 8.370 nan 0.000 0.460 396 R N -0.437 120.033 120.500 -0.051 0.000 2.152 396 R HA -0.036 4.303 4.340 -0.001 0.000 0.232 396 R C 1.869 178.163 176.300 -0.010 0.000 1.117 396 R CA 2.048 58.106 56.100 -0.070 0.000 0.981 396 R CB -0.825 29.406 30.300 -0.116 0.000 0.870 396 R HN 0.393 nan 8.270 nan 0.000 0.451 397 T N -4.757 109.785 114.554 -0.019 0.000 3.023 397 T HA 0.267 4.617 4.350 -0.001 0.000 0.253 397 T C 1.201 175.757 174.700 -0.240 0.000 1.038 397 T CA 0.224 62.272 62.100 -0.087 0.000 0.962 397 T CB 0.400 69.223 68.868 -0.074 0.000 1.018 397 T HN 0.296 nan 8.240 nan 0.000 0.521 398 G N 1.624 110.345 108.800 -0.131 0.000 2.179 398 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.257 398 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.257 398 G C 0.300 175.124 174.900 -0.126 0.000 1.010 398 G CA -0.023 45.005 45.100 -0.120 0.000 0.736 398 G HN 1.164 nan 8.290 nan 0.000 0.513 399 A N -0.573 122.177 122.820 -0.117 0.000 2.332 399 A HA 0.606 4.925 4.320 -0.001 0.000 0.258 399 A C 1.157 178.760 177.584 0.032 0.000 1.087 399 A CA 0.524 52.517 52.037 -0.073 0.000 0.802 399 A CB 0.456 19.402 19.000 -0.091 0.000 1.042 399 A HN 0.201 nan 8.150 nan 0.000 0.489 400 D N -0.570 119.910 120.400 0.134 0.000 2.301 400 D HA 0.187 4.827 4.640 -0.001 0.000 0.206 400 D C 0.100 176.622 176.300 0.369 0.000 0.979 400 D CA 1.327 55.480 54.000 0.256 0.000 0.874 400 D CB 0.123 41.157 40.800 0.391 0.000 0.968 400 D HN 0.580 nan 8.370 nan 0.000 0.510 401 F N -0.651 119.361 119.950 0.104 0.000 2.745 401 F HA 0.705 5.232 4.527 -0.001 0.000 0.316 401 F C -1.898 173.978 175.800 0.127 0.000 1.155 401 F CA -1.292 56.776 58.000 0.112 0.000 0.937 401 F CB 1.419 40.486 39.000 0.113 0.000 1.361 401 F HN -0.168 nan 8.300 nan 0.000 0.472 402 A N 0.947 123.817 122.820 0.083 0.000 2.612 402 A HA 0.792 5.111 4.320 -0.001 0.000 0.293 402 A C -2.268 175.435 177.584 0.200 0.000 1.075 402 A CA -0.498 51.541 52.037 0.004 0.000 0.680 402 A CB 1.612 20.630 19.000 0.031 0.000 1.279 402 A HN 1.833 nan 8.150 nan 0.000 0.411 403 V N 2.386 122.391 119.914 0.153 0.000 3.012 403 V HA 0.888 5.007 4.120 -0.001 0.000 0.307 403 V C -0.973 175.192 176.094 0.118 0.000 1.166 403 V CA -0.166 62.237 62.300 0.173 0.000 0.974 403 V CB 2.107 34.126 31.823 0.327 0.000 1.040 403 V HN 1.624 nan 8.190 nan 0.000 0.428 404 M N 3.576 123.207 119.600 0.050 0.000 2.683 404 M HA 0.770 5.249 4.480 -0.001 0.000 0.274 404 M C -0.992 175.295 176.300 -0.022 0.000 1.272 404 M CA -0.569 54.747 55.300 0.025 0.000 0.833 404 M CB 2.215 34.841 32.600 0.042 0.000 1.708 404 M HN 0.605 nan 8.290 nan 0.000 0.463 405 S N -0.015 115.647 115.700 -0.064 0.000 2.585 405 S HA 0.558 5.027 4.470 -0.001 0.000 0.277 405 S C 0.887 175.517 174.600 0.051 0.000 1.241 405 S CA -0.256 57.934 58.200 -0.016 0.000 1.041 405 S CB 1.219 64.364 63.200 -0.092 0.000 0.987 405 S HN 1.007 nan 8.310 nan 0.000 0.512 406 G N 1.290 110.146 108.800 0.094 0.000 2.448 406 G HA2 0.021 3.980 3.960 -0.001 0.000 0.219 406 G HA3 0.021 3.980 3.960 -0.001 0.000 0.219 406 G C 1.176 176.145 174.900 0.116 0.000 1.127 406 G CA 0.363 45.546 45.100 0.137 0.000 0.766 406 G HN 0.988 nan 8.290 nan 0.000 0.552 407 G N 0.248 109.111 108.800 0.105 0.000 2.708 407 G HA2 0.213 4.173 3.960 -0.001 0.000 0.210 407 G HA3 0.213 4.173 3.960 -0.001 0.000 0.210 407 G C 1.379 176.345 174.900 0.109 0.000 1.141 407 G CA 0.944 46.102 45.100 0.096 0.000 0.788 407 G HN 0.535 nan 8.290 nan 0.000 0.531 408 G N -0.025 108.834 108.800 0.097 0.000 2.939 408 G HA2 0.277 4.237 3.960 -0.001 0.000 0.210 408 G HA3 0.277 4.237 3.960 -0.001 0.000 0.210 408 G C 0.461 175.416 174.900 0.092 0.000 1.160 408 G CA -0.365 44.809 45.100 0.123 0.000 0.770 408 G HN 0.384 nan 8.290 nan 0.000 0.543 409 I N 1.124 121.736 120.570 0.071 0.000 2.315 409 I HA 0.367 4.536 4.170 -0.001 0.000 0.291 409 I C 0.584 176.714 176.117 0.022 0.000 1.006 409 I CA -0.723 60.599 61.300 0.037 0.000 1.265 409 I CB 1.724 39.756 38.000 0.053 0.000 1.387 409 I HN -0.100 nan 8.210 nan 0.000 0.475 410 R N 2.958 123.437 120.500 -0.035 0.000 2.476 410 R HA 0.352 4.691 4.340 -0.001 0.000 0.276 410 R C -0.523 175.748 176.300 -0.049 0.000 0.941 410 R CA -0.118 55.945 56.100 -0.062 0.000 1.088 410 R CB 0.051 30.224 30.300 -0.211 0.000 1.216 410 R HN 0.599 nan 8.270 nan 0.000 0.533 411 D N -1.328 119.054 120.400 -0.029 0.000 2.710 411 D HA 0.258 4.898 4.640 -0.001 0.000 0.276 411 D C -1.009 175.290 176.300 -0.002 0.000 1.267 411 D CA -0.198 53.792 54.000 -0.017 0.000 0.772 411 D CB 1.620 42.400 40.800 -0.032 0.000 1.299 411 D HN -0.231 nan 8.370 nan 0.000 0.421 412 S N -0.205 115.497 115.700 0.004 0.000 2.722 412 S HA 0.744 5.213 4.470 -0.001 0.000 0.292 412 S C -0.203 174.401 174.600 0.006 0.000 1.135 412 S CA -0.556 57.651 58.200 0.011 0.000 1.003 412 S CB 0.858 64.068 63.200 0.016 0.000 1.067 412 S HN 0.285 nan 8.310 nan 0.000 0.546 413 I N 1.887 122.463 120.570 0.010 0.000 2.447 413 I HA 0.288 4.457 4.170 -0.001 0.000 0.287 413 I C -0.171 175.954 176.117 0.013 0.000 1.023 413 I CA -0.675 60.630 61.300 0.008 0.000 1.083 413 I CB 1.615 39.618 38.000 0.005 0.000 1.245 413 I HN 0.444 nan 8.210 nan 0.000 0.434 414 E N 3.851 124.058 120.200 0.012 0.000 2.408 414 E HA 0.265 4.614 4.350 -0.001 0.000 0.259 414 E C 0.099 176.709 176.600 0.016 0.000 1.110 414 E CA -0.253 56.155 56.400 0.014 0.000 0.929 414 E CB 0.919 30.626 29.700 0.011 0.000 0.971 414 E HN 0.648 nan 8.360 nan 0.000 0.438 415 A N 1.058 123.889 122.820 0.019 0.000 2.540 415 A HA 0.436 4.756 4.320 -0.001 0.000 0.239 415 A C 0.873 178.466 177.584 0.015 0.000 1.061 415 A CA 1.007 53.056 52.037 0.020 0.000 0.758 415 A CB -0.259 18.754 19.000 0.021 0.000 0.991 415 A HN 0.707 nan 8.150 nan 0.000 0.502 416 G N 1.778 110.588 108.800 0.015 0.000 2.297 416 G HA2 0.107 4.066 3.960 -0.001 0.000 0.209 416 G HA3 0.107 4.066 3.960 -0.001 0.000 0.209 416 G C -1.113 173.793 174.900 0.010 0.000 1.267 416 G CA -0.198 44.909 45.100 0.011 0.000 1.127 416 G HN 0.797 nan 8.290 nan 0.000 0.498 417 D N 0.417 120.822 120.400 0.007 0.000 2.313 417 D HA 0.615 5.255 4.640 -0.001 0.000 0.247 417 D C 0.318 176.622 176.300 0.006 0.000 1.094 417 D CA 0.396 54.399 54.000 0.005 0.000 0.925 417 D CB 1.336 42.139 40.800 0.004 0.000 1.188 417 D HN 0.502 nan 8.370 nan 0.000 0.430 418 I N 0.805 121.377 120.570 0.004 0.000 2.465 418 I HA 0.182 4.351 4.170 -0.001 0.000 0.291 418 I C 0.322 176.446 176.117 0.011 0.000 1.014 418 I CA -0.642 60.661 61.300 0.005 0.000 1.093 418 I CB 1.829 39.827 38.000 -0.004 0.000 1.267 418 I HN 0.259 nan 8.210 nan 0.000 0.431 419 S N 4.431 120.147 115.700 0.026 0.000 2.718 419 S HA 0.355 4.824 4.470 -0.001 0.000 0.300 419 S C 0.651 175.313 174.600 0.103 0.000 1.117 419 S CA -0.492 57.740 58.200 0.053 0.000 1.002 419 S CB 1.461 64.690 63.200 0.048 0.000 1.092 419 S HN 0.584 nan 8.310 nan 0.000 0.542 420 Y N 1.398 121.689 120.300 -0.015 0.000 2.224 420 Y HA -0.024 4.525 4.550 -0.001 0.000 0.289 420 Y C 2.398 178.282 175.900 -0.026 0.000 1.146 420 Y CA 1.641 59.731 58.100 -0.017 0.000 1.182 420 Y CB -0.535 37.917 38.460 -0.014 0.000 0.983 420 Y HN 0.907 nan 8.280 nan 0.000 0.524 421 K N 0.308 120.790 120.400 0.136 0.000 2.063 421 K HA -0.244 4.075 4.320 -0.001 0.000 0.208 421 K C 1.659 178.281 176.600 0.035 0.000 1.048 421 K CA 1.961 58.266 56.287 0.029 0.000 0.928 421 K CB -0.262 32.234 32.500 -0.006 0.000 0.713 421 K HN 0.502 nan 8.250 nan 0.000 0.442 422 N N -0.089 118.639 118.700 0.047 0.000 2.069 422 N HA -0.171 4.568 4.740 -0.001 0.000 0.191 422 N C 1.766 177.297 175.510 0.035 0.000 1.031 422 N CA 1.437 54.504 53.050 0.028 0.000 0.852 422 N CB -0.108 38.392 38.487 0.021 0.000 1.018 422 N HN -0.065 nan 8.380 nan 0.000 0.423 423 V N 1.464 121.425 119.914 0.078 0.000 2.332 423 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 423 V C 2.105 178.244 176.094 0.076 0.000 1.055 423 V CA 1.515 63.863 62.300 0.080 0.000 1.038 423 V CB -0.556 31.328 31.823 0.101 0.000 0.651 423 V HN 0.310 nan 8.190 nan 0.000 0.450 424 L N -0.642 120.638 121.223 0.095 0.000 2.201 424 L HA -0.121 4.218 4.340 -0.001 0.000 0.212 424 L C 2.588 179.419 176.870 -0.065 0.000 1.105 424 L CA 1.201 56.044 54.840 0.004 0.000 0.775 424 L CB -0.533 41.492 42.059 -0.057 0.000 0.913 424 L HN 0.252 nan 8.230 nan 0.000 0.440 425 K N -0.264 120.103 120.400 -0.054 0.000 2.103 425 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 425 K C 2.094 178.628 176.600 -0.108 0.000 1.052 425 K CA 1.050 57.285 56.287 -0.086 0.000 0.945 425 K CB -0.338 32.128 32.500 -0.055 0.000 0.722 425 K HN 0.192 nan 8.250 nan 0.000 0.443 426 V N 1.339 121.212 119.914 -0.068 0.000 2.427 426 V HA -0.141 3.978 4.120 -0.001 0.000 0.248 426 V C 0.917 176.953 176.094 -0.097 0.000 1.051 426 V CA 1.355 63.616 62.300 -0.064 0.000 1.048 426 V CB -0.205 31.602 31.823 -0.027 0.000 0.666 426 V HN 0.300 nan 8.190 nan 0.000 0.456 427 Q N 0.035 119.778 119.800 -0.095 0.000 2.798 427 Q HA 0.275 4.614 4.340 -0.001 0.000 0.250 427 Q C -2.163 173.747 176.000 -0.150 0.000 1.006 427 Q CA -1.313 54.431 55.803 -0.098 0.000 0.759 427 Q CB 1.682 30.417 28.738 -0.005 0.000 1.201 427 Q HN 0.391 nan 8.270 nan 0.000 0.486 428 P HA 0.115 nan 4.420 nan 0.000 0.259 428 P C 0.520 177.669 177.300 -0.252 0.000 1.233 428 P CA 0.228 63.113 63.100 -0.357 0.000 0.827 428 P CB 0.242 31.622 31.700 -0.535 0.000 1.154 429 F N 0.323 120.264 119.950 -0.016 0.000 2.765 429 F HA 0.426 4.952 4.527 -0.001 0.000 0.302 429 F C 1.730 177.544 175.800 0.025 0.000 1.111 429 F CA 0.215 58.206 58.000 -0.016 0.000 1.359 429 F CB -1.017 37.936 39.000 -0.078 0.000 1.097 429 F HN -0.002 nan 8.300 nan 0.000 0.577 430 G N 1.272 110.178 108.800 0.177 0.000 2.221 430 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.265 430 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.265 430 G C 0.040 175.055 174.900 0.191 0.000 1.041 430 G CA 0.005 45.200 45.100 0.158 0.000 0.807 430 G HN 0.473 nan 8.290 nan 0.000 0.502 431 N N -1.120 117.694 118.700 0.190 0.000 2.416 431 N HA 0.365 5.104 4.740 -0.001 0.000 0.246 431 N C 0.356 175.972 175.510 0.176 0.000 1.260 431 N CA -0.094 53.068 53.050 0.186 0.000 0.897 431 N CB 1.045 39.641 38.487 0.181 0.000 1.110 431 N HN 0.104 nan 8.380 nan 0.000 0.439 432 V N 2.044 122.064 119.914 0.177 0.000 2.427 432 V HA 0.177 4.297 4.120 -0.001 0.000 0.286 432 V C 0.259 176.451 176.094 0.164 0.000 1.034 432 V CA -0.833 61.566 62.300 0.164 0.000 0.893 432 V CB 1.583 33.488 31.823 0.137 0.000 0.982 432 V HN 0.339 nan 8.190 nan 0.000 0.452 433 V N 6.193 126.218 119.914 0.185 0.000 2.572 433 V HA 0.361 4.481 4.120 -0.001 0.000 0.291 433 V C 0.295 176.484 176.094 0.158 0.000 1.039 433 V CA 0.227 62.636 62.300 0.182 0.000 1.055 433 V CB 1.134 33.088 31.823 0.217 0.000 0.969 433 V HN 0.798 nan 8.190 nan 0.000 0.482 434 V N 3.774 123.758 119.914 0.117 0.000 3.158 434 V HA 0.924 5.043 4.120 -0.001 0.000 0.311 434 V C -1.151 174.988 176.094 0.076 0.000 1.181 434 V CA -0.895 61.400 62.300 -0.008 0.000 1.054 434 V CB 2.254 34.016 31.823 -0.103 0.000 1.085 434 V HN 0.899 nan 8.190 nan 0.000 0.446 435 Y N -0.703 119.512 120.300 -0.141 0.000 2.597 435 Y HA 0.978 5.527 4.550 -0.001 0.000 0.340 435 Y C -0.706 175.148 175.900 -0.076 0.000 1.097 435 Y CA -0.936 57.112 58.100 -0.085 0.000 1.037 435 Y CB 1.310 39.737 38.460 -0.055 0.000 1.305 435 Y HN 1.255 nan 8.280 nan 0.000 0.463 436 A N 1.852 124.796 122.820 0.208 0.000 2.374 436 A HA 0.539 4.858 4.320 -0.001 0.000 0.305 436 A C -1.626 176.085 177.584 0.212 0.000 1.053 436 A CA -0.849 51.295 52.037 0.179 0.000 0.726 436 A CB 0.842 19.928 19.000 0.143 0.000 1.229 436 A HN 0.726 nan 8.150 nan 0.000 0.431 437 D N 3.398 123.932 120.400 0.223 0.000 2.317 437 D HA 0.444 5.083 4.640 -0.001 0.000 0.252 437 D C 0.124 176.515 176.300 0.150 0.000 1.174 437 D CA 0.661 54.767 54.000 0.177 0.000 0.866 437 D CB 0.895 41.788 40.800 0.155 0.000 1.127 437 D HN 0.665 nan 8.370 nan 0.000 0.467 438 M N -0.577 119.133 119.600 0.183 0.000 2.572 438 M HA 0.436 4.915 4.480 -0.001 0.000 0.299 438 M C 0.038 176.475 176.300 0.228 0.000 1.205 438 M CA -0.996 54.413 55.300 0.182 0.000 0.876 438 M CB 1.931 34.630 32.600 0.165 0.000 1.728 438 M HN 0.102 nan 8.290 nan 0.000 0.458 439 T N -0.822 113.839 114.554 0.178 0.000 2.813 439 T HA 0.342 4.691 4.350 -0.001 0.000 0.297 439 T C 1.230 176.083 174.700 0.256 0.000 1.036 439 T CA 0.018 62.229 62.100 0.186 0.000 1.044 439 T CB 0.876 69.815 68.868 0.118 0.000 0.993 439 T HN 0.890 nan 8.240 nan 0.000 0.535 440 G N 0.820 109.800 108.800 0.299 0.000 2.442 440 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 440 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 440 G C 1.464 176.412 174.900 0.079 0.000 1.141 440 G CA 1.061 46.306 45.100 0.241 0.000 0.763 440 G HN 0.802 nan 8.290 nan 0.000 0.554 441 K N 1.044 121.496 120.400 0.086 0.000 2.026 441 K HA -0.037 4.282 4.320 -0.001 0.000 0.208 441 K C 2.275 178.913 176.600 0.063 0.000 1.048 441 K CA 1.722 58.040 56.287 0.052 0.000 0.929 441 K CB -0.487 32.043 32.500 0.049 0.000 0.713 441 K HN 0.412 nan 8.250 nan 0.000 0.439 442 E N -0.268 119.988 120.200 0.093 0.000 2.153 442 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 442 E C 1.852 178.546 176.600 0.156 0.000 0.988 442 E CA 1.167 57.638 56.400 0.118 0.000 0.811 442 E CB 0.031 29.804 29.700 0.122 0.000 0.746 442 E HN 0.086 nan 8.360 nan 0.000 0.466 443 V N 1.187 121.179 119.914 0.131 0.000 2.358 443 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 443 V C 2.168 178.293 176.094 0.052 0.000 1.047 443 V CA 1.442 63.809 62.300 0.111 0.000 1.035 443 V CB -0.330 31.417 31.823 -0.127 0.000 0.658 443 V HN 0.262 nan 8.190 nan 0.000 0.452 444 I N 0.155 120.719 120.570 -0.010 0.000 2.179 444 I HA -0.232 3.938 4.170 -0.001 0.000 0.242 444 I C 2.254 178.364 176.117 -0.011 0.000 1.088 444 I CA 1.672 62.944 61.300 -0.046 0.000 1.357 444 I CB -0.439 37.528 38.000 -0.054 0.000 1.051 444 I HN 0.303 nan 8.210 nan 0.000 0.409 445 D N -0.302 120.120 120.400 0.035 0.000 2.144 445 D HA -0.205 4.435 4.640 -0.001 0.000 0.200 445 D C 1.908 178.245 176.300 0.061 0.000 0.978 445 D CA 1.202 55.221 54.000 0.033 0.000 0.833 445 D CB -0.271 40.559 40.800 0.050 0.000 0.961 445 D HN 0.358 nan 8.370 nan 0.000 0.470 446 Y N 1.143 121.461 120.300 0.030 0.000 2.163 446 Y HA -0.080 4.469 4.550 -0.001 0.000 0.288 446 Y C 2.142 178.080 175.900 0.064 0.000 1.136 446 Y CA 1.236 59.373 58.100 0.063 0.000 1.147 446 Y CB -0.248 38.293 38.460 0.134 0.000 0.987 446 Y HN -0.114 nan 8.280 nan 0.000 0.509 447 L N -1.011 120.313 121.223 0.169 0.000 2.093 447 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 447 L C 2.332 179.138 176.870 -0.107 0.000 1.085 447 L CA 1.646 56.547 54.840 0.102 0.000 0.755 447 L CB -0.821 41.291 42.059 0.089 0.000 0.904 447 L HN 0.190 nan 8.230 nan 0.000 0.435 448 T N 0.031 114.494 114.554 -0.152 0.000 2.684 448 T HA -0.237 4.113 4.350 -0.001 0.000 0.267 448 T C 1.981 176.585 174.700 -0.159 0.000 1.036 448 T CA 1.549 63.531 62.100 -0.197 0.000 1.148 448 T CB -0.269 68.510 68.868 -0.148 0.000 0.863 448 T HN 0.460 nan 8.240 nan 0.000 0.436 449 A N 0.649 123.369 122.820 -0.167 0.000 1.933 449 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 449 A C 2.578 180.006 177.584 -0.261 0.000 1.175 449 A CA 1.280 53.199 52.037 -0.197 0.000 0.628 449 A CB -0.862 18.009 19.000 -0.216 0.000 0.814 449 A HN 0.370 nan 8.150 nan 0.000 0.444 450 V N -0.264 119.450 119.914 -0.333 0.000 2.379 450 V HA -0.163 3.957 4.120 -0.001 0.000 0.245 450 V C 2.983 179.045 176.094 -0.052 0.000 1.044 450 V CA 1.544 63.604 62.300 -0.401 0.000 1.036 450 V CB -1.095 30.458 31.823 -0.450 0.000 0.664 450 V HN 0.591 nan 8.190 nan 0.000 0.453 451 A N -0.579 122.333 122.820 0.154 0.000 2.084 451 A HA -0.265 4.054 4.320 -0.001 0.000 0.221 451 A C 2.068 179.865 177.584 0.356 0.000 1.161 451 A CA 1.503 53.769 52.037 0.382 0.000 0.653 451 A CB -0.383 18.583 19.000 -0.057 0.000 0.802 451 A HN 0.540 nan 8.150 nan 0.000 0.457 452 Q N -0.766 119.092 119.800 0.097 0.000 2.369 452 Q HA 0.044 4.384 4.340 -0.001 0.000 0.206 452 Q C 0.537 176.551 176.000 0.024 0.000 0.963 452 Q CA 0.416 56.254 55.803 0.060 0.000 0.894 452 Q CB -0.377 28.349 28.738 -0.020 0.000 0.965 452 Q HN 0.555 nan 8.270 nan 0.000 0.475 453 M N 1.321 120.917 119.600 -0.007 0.000 2.238 453 M HA 0.100 4.579 4.480 -0.001 0.000 0.347 453 M C 0.344 176.627 176.300 -0.028 0.000 1.173 453 M CA 0.251 55.534 55.300 -0.028 0.000 1.147 453 M CB 0.267 32.840 32.600 -0.046 0.000 1.547 453 M HN -0.258 nan 8.290 nan 0.000 0.455 454 K N 2.619 122.997 120.400 -0.037 0.000 2.123 454 K HA 0.585 4.904 4.320 -0.001 0.000 0.259 454 K C -2.369 174.159 176.600 -0.120 0.000 0.960 454 K CA -1.937 54.290 56.287 -0.100 0.000 0.872 454 K CB 0.515 32.960 32.500 -0.092 0.000 1.079 454 K HN 0.282 nan 8.250 nan 0.000 0.440 455 P HA -0.085 nan 4.420 nan 0.000 0.270 455 P C -0.095 176.817 177.300 -0.646 0.000 1.221 455 P CA 0.455 63.183 63.100 -0.620 0.000 0.788 455 P CB 0.280 31.632 31.700 -0.581 0.000 0.904 456 D N -1.435 118.244 120.400 -1.203 0.000 2.945 456 D HA -0.146 4.493 4.640 -0.001 0.000 0.225 456 D C -0.739 175.349 176.300 -0.355 0.000 1.158 456 D CA 1.472 54.934 54.000 -0.897 0.000 0.805 456 D CB -1.425 39.093 40.800 -0.470 0.000 1.098 456 D HN 0.423 nan 8.370 nan 0.000 0.426 457 S N -3.581 111.964 115.700 -0.258 0.000 2.627 457 S HA 0.723 5.192 4.470 -0.001 0.000 0.283 457 S C 1.446 176.036 174.600 -0.015 0.000 1.127 457 S CA -0.365 57.785 58.200 -0.085 0.000 0.863 457 S CB 1.654 64.835 63.200 -0.032 0.000 1.121 457 S HN 0.095 nan 8.310 nan 0.000 0.479 458 G N -0.018 108.803 108.800 0.035 0.000 2.509 458 G HA2 0.186 4.145 3.960 -0.001 0.000 0.218 458 G HA3 0.186 4.145 3.960 -0.001 0.000 0.218 458 G C 1.126 176.097 174.900 0.118 0.000 1.124 458 G CA 0.539 45.685 45.100 0.077 0.000 0.776 458 G HN 1.179 nan 8.290 nan 0.000 0.547 459 A N -0.477 122.421 122.820 0.131 0.000 2.208 459 A HA 0.283 4.602 4.320 -0.001 0.000 0.209 459 A C 0.821 178.535 177.584 0.217 0.000 1.161 459 A CA -0.470 51.696 52.037 0.214 0.000 0.782 459 A CB -0.401 18.727 19.000 0.214 0.000 0.816 459 A HN 0.390 nan 8.150 nan 0.000 0.477 460 Y N 2.447 122.758 120.300 0.018 0.000 2.721 460 Y HA 0.268 4.817 4.550 -0.001 0.000 0.329 460 Y C -2.463 173.452 175.900 0.024 0.000 1.211 460 Y CA -2.332 55.743 58.100 -0.042 0.000 1.512 460 Y CB 0.539 38.907 38.460 -0.153 0.000 1.249 460 Y HN 0.118 nan 8.280 nan 0.000 0.549 461 P HA 0.102 nan 4.420 nan 0.000 0.292 461 P C -1.402 175.437 177.300 -0.768 0.000 1.287 461 P CA -0.401 62.329 63.100 -0.617 0.000 0.800 461 P CB 1.354 32.607 31.700 -0.746 0.000 0.945 462 Q N 2.808 122.369 119.800 -0.397 0.000 2.274 462 Q HA 0.414 4.754 4.340 -0.001 0.000 0.256 462 Q C -0.510 175.349 176.000 -0.235 0.000 0.927 462 Q CA -0.057 55.641 55.803 -0.175 0.000 0.939 462 Q CB 0.654 29.395 28.738 0.005 0.000 1.201 462 Q HN 0.423 nan 8.270 nan 0.000 0.426 463 F N 0.367 120.407 119.950 0.150 0.000 2.556 463 F HA 0.761 5.287 4.527 -0.001 0.000 0.327 463 F C 0.182 176.068 175.800 0.142 0.000 1.059 463 F CA -1.095 57.009 58.000 0.173 0.000 0.953 463 F CB 1.683 40.781 39.000 0.163 0.000 1.227 463 F HN 0.466 nan 8.300 nan 0.000 0.478 464 A N 1.307 124.350 122.820 0.373 0.000 2.414 464 A HA 0.650 4.969 4.320 -0.001 0.000 0.306 464 A C -0.276 177.469 177.584 0.268 0.000 1.054 464 A CA -0.802 51.390 52.037 0.258 0.000 0.724 464 A CB 0.865 19.977 19.000 0.188 0.000 1.267 464 A HN 0.837 nan 8.150 nan 0.000 0.418 465 N N -1.020 117.785 118.700 0.174 0.000 2.741 465 N HA -0.141 4.599 4.740 -0.001 0.000 0.251 465 N C -0.513 175.029 175.510 0.053 0.000 1.112 465 N CA 1.399 54.526 53.050 0.128 0.000 0.750 465 N CB -1.485 37.112 38.487 0.183 0.000 1.119 465 N HN 0.631 nan 8.380 nan 0.000 0.561 466 V N 0.339 120.259 119.914 0.009 0.000 2.495 466 V HA 0.733 4.853 4.120 -0.001 0.000 0.298 466 V C 0.280 176.196 176.094 -0.298 0.000 1.031 466 V CA -0.562 61.643 62.300 -0.159 0.000 0.871 466 V CB 2.128 33.833 31.823 -0.198 0.000 0.988 466 V HN 0.336 nan 8.190 nan 0.000 0.432 467 S N 4.340 119.858 115.700 -0.303 0.000 2.548 467 S HA 0.991 5.461 4.470 -0.001 0.000 0.286 467 S C -0.960 173.459 174.600 -0.302 0.000 1.098 467 S CA -0.677 57.291 58.200 -0.385 0.000 0.930 467 S CB 2.332 65.398 63.200 -0.223 0.000 1.070 467 S HN 1.156 nan 8.310 nan 0.000 0.480 468 F N -1.708 118.068 119.950 -0.289 0.000 2.842 468 F HA 0.712 5.238 4.527 -0.001 0.000 0.319 468 F C -2.292 173.333 175.800 -0.292 0.000 1.159 468 F CA -1.417 56.408 58.000 -0.291 0.000 0.902 468 F CB 0.524 39.307 39.000 -0.361 0.000 1.311 468 F HN 0.427 nan 8.300 nan 0.000 0.453 469 V N 1.969 121.975 119.914 0.154 0.000 2.376 469 V HA 0.773 4.892 4.120 -0.001 0.000 0.287 469 V C 0.118 176.229 176.094 0.028 0.000 1.015 469 V CA -0.577 61.768 62.300 0.074 0.000 0.834 469 V CB 0.873 32.701 31.823 0.008 0.000 1.001 469 V HN 1.168 nan 8.190 nan 0.000 0.428 470 A N 5.502 128.283 122.820 -0.065 0.000 2.409 470 A HA 0.673 4.993 4.320 -0.001 0.000 0.267 470 A C 0.101 177.662 177.584 -0.038 0.000 1.127 470 A CA -0.168 51.734 52.037 -0.225 0.000 0.795 470 A CB 0.220 18.945 19.000 -0.458 0.000 1.061 470 A HN 0.804 nan 8.150 nan 0.000 0.502 471 K N 2.405 122.783 120.400 -0.036 0.000 2.601 471 K HA 0.315 4.634 4.320 -0.001 0.000 0.249 471 K C -1.433 175.167 176.600 0.001 0.000 0.966 471 K CA -0.763 55.530 56.287 0.011 0.000 0.827 471 K CB 1.496 33.997 32.500 0.002 0.000 1.178 471 K HN 0.699 nan 8.250 nan 0.000 0.437 472 D N 1.946 122.362 120.400 0.027 0.000 2.718 472 D HA -0.144 4.495 4.640 -0.001 0.000 0.242 472 D C 0.703 177.001 176.300 -0.003 0.000 1.123 472 D CA 1.747 55.756 54.000 0.015 0.000 0.690 472 D CB -0.907 39.896 40.800 0.004 0.000 1.059 472 D HN 1.109 nan 8.370 nan 0.000 0.429 473 G N 0.262 109.066 108.800 0.006 0.000 2.187 473 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.261 473 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.261 473 G C 0.288 175.147 174.900 -0.068 0.000 1.000 473 G CA 1.194 46.283 45.100 -0.017 0.000 0.718 473 G HN 0.660 nan 8.290 nan 0.000 0.519 474 K N -0.270 120.074 120.400 -0.093 0.000 2.427 474 K HA 0.661 4.980 4.320 -0.001 0.000 0.252 474 K C -0.102 176.376 176.600 -0.204 0.000 0.931 474 K CA -1.149 55.061 56.287 -0.128 0.000 0.793 474 K CB 0.994 33.445 32.500 -0.082 0.000 1.211 474 K HN 0.083 nan 8.250 nan 0.000 0.426 475 L N 4.115 125.178 121.223 -0.266 0.000 2.260 475 L HA 0.335 4.674 4.340 -0.001 0.000 0.289 475 L C 0.090 176.847 176.870 -0.188 0.000 1.057 475 L CA -0.703 53.923 54.840 -0.356 0.000 0.811 475 L CB 0.912 42.653 42.059 -0.530 0.000 1.184 475 L HN 0.574 nan 8.230 nan 0.000 0.429 476 N N 3.011 121.637 118.700 -0.123 0.000 2.509 476 N HA 0.086 4.826 4.740 -0.001 0.000 0.287 476 N C -0.491 174.998 175.510 -0.034 0.000 1.121 476 N CA -0.537 52.475 53.050 -0.064 0.000 0.977 476 N CB 1.243 39.705 38.487 -0.042 0.000 1.167 476 N HN 0.576 nan 8.380 nan 0.000 0.476 477 D N 0.851 121.229 120.400 -0.037 0.000 2.692 477 D HA -0.200 4.440 4.640 -0.001 0.000 0.233 477 D C -0.081 176.198 176.300 -0.036 0.000 1.172 477 D CA 0.526 54.506 54.000 -0.035 0.000 0.636 477 D CB -1.044 39.738 40.800 -0.030 0.000 1.028 477 D HN 0.333 nan 8.370 nan 0.000 0.419 478 L N 0.263 121.456 121.223 -0.050 0.000 2.477 478 L HA 0.122 4.462 4.340 -0.001 0.000 0.272 478 L C 0.337 177.147 176.870 -0.099 0.000 1.157 478 L CA 0.621 55.423 54.840 -0.062 0.000 0.889 478 L CB 0.238 42.231 42.059 -0.110 0.000 1.158 478 L HN -0.004 nan 8.230 nan 0.000 0.473 479 K N 6.124 126.455 120.400 -0.115 0.000 2.426 479 K HA 0.601 4.920 4.320 -0.001 0.000 0.251 479 K C -1.364 175.124 176.600 -0.187 0.000 0.941 479 K CA -0.915 55.294 56.287 -0.131 0.000 0.808 479 K CB 2.309 34.756 32.500 -0.088 0.000 1.265 479 K HN 0.360 nan 8.250 nan 0.000 0.432 480 I N 2.560 123.017 120.570 -0.188 0.000 2.389 480 I HA 0.184 4.353 4.170 -0.001 0.000 0.288 480 I C 0.144 176.243 176.117 -0.031 0.000 0.999 480 I CA -0.572 60.620 61.300 -0.180 0.000 1.129 480 I CB 1.155 38.970 38.000 -0.309 0.000 1.288 480 I HN 0.718 nan 8.210 nan 0.000 0.444 481 K N 4.478 124.881 120.400 0.004 0.000 3.077 481 K HA -0.243 4.076 4.320 -0.001 0.000 0.264 481 K C 0.965 177.575 176.600 0.017 0.000 1.008 481 K CA 0.689 56.998 56.287 0.036 0.000 0.740 481 K CB -1.315 31.230 32.500 0.075 0.000 1.273 481 K HN 1.211 nan 8.250 nan 0.000 0.477 482 G N -0.644 108.149 108.800 -0.011 0.000 2.179 482 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 482 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 482 G C -0.314 174.579 174.900 -0.012 0.000 0.977 482 G CA 0.513 45.605 45.100 -0.014 0.000 0.641 482 G HN 0.324 nan 8.290 nan 0.000 0.533 483 E N 0.708 120.903 120.200 -0.009 0.000 2.248 483 E HA 0.452 4.801 4.350 -0.001 0.000 0.267 483 E C -2.537 174.054 176.600 -0.014 0.000 0.877 483 E CA -1.961 54.441 56.400 0.005 0.000 0.759 483 E CB 2.463 32.188 29.700 0.042 0.000 1.182 483 E HN 0.130 nan 8.360 nan 0.000 0.418 484 P HA -0.000 nan 4.420 nan 0.000 0.267 484 P C 0.076 177.366 177.300 -0.016 0.000 1.200 484 P CA -0.194 62.889 63.100 -0.029 0.000 0.772 484 P CB 0.533 32.224 31.700 -0.016 0.000 0.855 485 V N 3.254 123.122 119.914 -0.076 0.000 2.479 485 V HA 0.020 4.139 4.120 -0.001 0.000 0.281 485 V C 0.792 176.911 176.094 0.042 0.000 1.031 485 V CA 0.441 62.681 62.300 -0.100 0.000 1.038 485 V CB 0.096 31.768 31.823 -0.252 0.000 0.981 485 V HN 0.549 nan 8.190 nan 0.000 0.478 486 D N 7.302 127.823 120.400 0.201 0.000 2.373 486 D HA 0.336 4.975 4.640 -0.001 0.000 0.227 486 D C -1.747 174.663 176.300 0.184 0.000 1.091 486 D CA -2.361 51.731 54.000 0.153 0.000 0.840 486 D CB 2.171 43.050 40.800 0.132 0.000 1.060 486 D HN 0.188 nan 8.370 nan 0.000 0.502 487 P HA -0.037 nan 4.420 nan 0.000 0.223 487 P C 0.710 178.064 177.300 0.089 0.000 1.144 487 P CA 0.747 63.906 63.100 0.098 0.000 0.783 487 P CB 0.273 32.005 31.700 0.053 0.000 0.771 488 A N -1.313 121.548 122.820 0.069 0.000 2.169 488 A HA -0.013 4.306 4.320 -0.001 0.000 0.212 488 A C 1.049 178.647 177.584 0.022 0.000 1.153 488 A CA 0.744 52.805 52.037 0.040 0.000 0.756 488 A CB -0.458 18.555 19.000 0.023 0.000 0.813 488 A HN 0.147 nan 8.150 nan 0.000 0.471 489 K N -0.254 120.164 120.400 0.029 0.000 2.123 489 K HA 0.477 4.796 4.320 -0.001 0.000 0.248 489 K C -0.852 175.675 176.600 -0.122 0.000 0.969 489 K CA -0.367 55.850 56.287 -0.115 0.000 0.882 489 K CB 1.198 33.514 32.500 -0.307 0.000 1.080 489 K HN 0.022 nan 8.250 nan 0.000 0.441 490 T N 1.684 116.099 114.554 -0.230 0.000 2.795 490 T HA 0.394 4.743 4.350 -0.001 0.000 0.282 490 T C -1.042 173.484 174.700 -0.290 0.000 0.980 490 T CA -0.380 61.653 62.100 -0.112 0.000 1.012 490 T CB 0.169 69.009 68.868 -0.047 0.000 0.936 490 T HN 0.262 nan 8.240 nan 0.000 0.457 491 Y N 1.204 121.580 120.300 0.127 0.000 2.446 491 Y HA 0.559 5.108 4.550 -0.001 0.000 0.345 491 Y C 0.422 176.436 175.900 0.190 0.000 0.984 491 Y CA -1.257 56.957 58.100 0.191 0.000 1.058 491 Y CB 1.629 40.262 38.460 0.288 0.000 1.220 491 Y HN 0.437 nan 8.280 nan 0.000 0.455 492 R N 3.658 124.322 120.500 0.273 0.000 2.294 492 R HA 0.585 4.924 4.340 -0.001 0.000 0.319 492 R C -1.238 175.055 176.300 -0.011 0.000 0.984 492 R CA -0.476 55.694 56.100 0.117 0.000 0.861 492 R CB 0.836 31.124 30.300 -0.020 0.000 1.104 492 R HN 0.884 nan 8.270 nan 0.000 0.451 493 M N 3.895 123.391 119.600 -0.173 0.000 2.294 493 M HA 0.482 4.962 4.480 -0.001 0.000 0.335 493 M C -1.127 175.055 176.300 -0.198 0.000 1.079 493 M CA -0.546 54.427 55.300 -0.545 0.000 0.982 493 M CB 1.883 33.996 32.600 -0.812 0.000 1.651 493 M HN 0.826 nan 8.290 nan 0.000 0.437 494 A N 3.310 126.023 122.820 -0.178 0.000 2.303 494 A HA 0.820 5.140 4.320 -0.001 0.000 0.317 494 A C -0.280 177.301 177.584 -0.005 0.000 1.149 494 A CA -0.291 51.736 52.037 -0.016 0.000 0.822 494 A CB 1.549 20.548 19.000 -0.001 0.000 1.131 494 A HN 0.894 nan 8.150 nan 0.000 0.493 495 T N 0.341 114.935 114.554 0.067 0.000 2.644 495 T HA 0.545 4.894 4.350 -0.001 0.000 0.288 495 T C -1.558 173.216 174.700 0.124 0.000 1.332 495 T CA -0.348 61.809 62.100 0.096 0.000 1.077 495 T CB -0.143 68.800 68.868 0.125 0.000 1.799 495 T HN 0.586 nan 8.240 nan 0.000 0.451 496 L N 2.490 123.799 121.223 0.143 0.000 2.333 496 L HA 0.504 4.843 4.340 -0.001 0.000 0.269 496 L C 1.520 178.507 176.870 0.194 0.000 1.010 496 L CA -1.001 53.942 54.840 0.172 0.000 0.818 496 L CB 1.659 43.834 42.059 0.193 0.000 1.306 496 L HN 0.828 nan 8.230 nan 0.000 0.430 497 N N 1.133 119.959 118.700 0.209 0.000 2.137 497 N HA -0.293 4.446 4.740 -0.001 0.000 0.190 497 N C 1.586 177.203 175.510 0.177 0.000 1.017 497 N CA 1.613 54.792 53.050 0.216 0.000 0.859 497 N CB -0.667 37.941 38.487 0.202 0.000 1.002 497 N HN 0.635 nan 8.380 nan 0.000 0.428 498 F N 1.896 121.876 119.950 0.050 0.000 2.065 498 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 498 F C 1.665 177.448 175.800 -0.028 0.000 1.112 498 F CA 1.913 59.914 58.000 0.002 0.000 1.212 498 F CB -0.760 38.226 39.000 -0.024 0.000 0.975 498 F HN 0.039 nan 8.300 nan 0.000 0.476 499 N N 0.162 118.761 118.700 -0.167 0.000 2.216 499 N HA -0.016 4.723 4.740 -0.001 0.000 0.183 499 N C 1.919 177.379 175.510 -0.082 0.000 1.017 499 N CA 1.097 53.950 53.050 -0.329 0.000 0.861 499 N CB -0.469 37.874 38.487 -0.240 0.000 0.986 499 N HN 0.384 nan 8.380 nan 0.000 0.428 500 A N 0.356 123.197 122.820 0.035 0.000 2.019 500 A HA -0.117 4.202 4.320 -0.001 0.000 0.219 500 A C 2.009 179.557 177.584 -0.061 0.000 1.164 500 A CA 1.780 53.856 52.037 0.065 0.000 0.644 500 A CB -0.930 18.190 19.000 0.200 0.000 0.805 500 A HN 0.453 nan 8.150 nan 0.000 0.449 501 T N -4.800 109.700 114.554 -0.090 0.000 3.144 501 T HA 0.439 4.789 4.350 -0.001 0.000 0.249 501 T C 1.154 175.775 174.700 -0.132 0.000 1.089 501 T CA 0.967 62.998 62.100 -0.115 0.000 0.989 501 T CB 0.258 69.082 68.868 -0.073 0.000 0.992 501 T HN 1.586 nan 8.240 nan 0.000 0.540 502 G N 0.460 109.167 108.800 -0.155 0.000 2.168 502 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.197 502 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.197 502 G C 0.413 175.154 174.900 -0.266 0.000 0.997 502 G CA -0.417 44.604 45.100 -0.132 0.000 0.658 502 G HN 0.940 nan 8.290 nan 0.000 0.513 503 G N -0.029 108.399 108.800 -0.621 0.000 2.414 503 G HA2 0.439 4.398 3.960 -0.001 0.000 0.236 503 G HA3 0.439 4.398 3.960 -0.001 0.000 0.236 503 G C 0.599 175.111 174.900 -0.647 0.000 1.293 503 G CA 0.962 45.374 45.100 -1.147 0.000 0.869 503 G HN 0.767 nan 8.290 nan 0.000 0.556 504 D N 0.320 120.572 120.400 -0.246 0.000 2.911 504 D HA -0.199 4.440 4.640 -0.001 0.000 0.227 504 D C 1.646 178.025 176.300 0.132 0.000 1.164 504 D CA 2.463 56.488 54.000 0.041 0.000 0.782 504 D CB -1.262 39.598 40.800 0.100 0.000 1.094 504 D HN 1.716 nan 8.370 nan 0.000 0.425 505 G N -1.342 107.484 108.800 0.043 0.000 2.166 505 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.260 505 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.260 505 G C 0.295 175.241 174.900 0.076 0.000 0.986 505 G CA 0.466 45.593 45.100 0.045 0.000 0.683 505 G HN 0.434 nan 8.290 nan 0.000 0.527 506 Y N 0.717 120.943 120.300 -0.123 0.000 2.578 506 Y HA 0.359 4.909 4.550 -0.001 0.000 0.339 506 Y C -1.374 174.483 175.900 -0.072 0.000 1.231 506 Y CA -1.564 56.468 58.100 -0.113 0.000 1.461 506 Y CB 0.018 38.431 38.460 -0.078 0.000 1.323 506 Y HN 0.036 nan 8.280 nan 0.000 0.590 507 P HA 0.089 nan 4.420 nan 0.000 0.268 507 P C -0.508 176.893 177.300 0.169 0.000 1.204 507 P CA -0.041 63.108 63.100 0.082 0.000 0.768 507 P CB 0.445 32.202 31.700 0.096 0.000 0.842 508 R N 2.654 123.196 120.500 0.069 0.000 2.449 508 R HA 0.102 4.441 4.340 -0.001 0.000 0.296 508 R C 0.841 177.141 176.300 0.001 0.000 1.047 508 R CA 0.162 56.267 56.100 0.009 0.000 1.018 508 R CB 0.054 30.330 30.300 -0.040 0.000 0.962 508 R HN 0.559 nan 8.270 nan 0.000 0.428 509 L N 2.194 123.365 121.223 -0.087 0.000 2.672 509 L HA 0.006 4.345 4.340 -0.001 0.000 0.236 509 L C 1.549 178.094 176.870 -0.542 0.000 1.092 509 L CA 0.025 54.762 54.840 -0.172 0.000 0.887 509 L CB 0.008 42.033 42.059 -0.056 0.000 1.168 509 L HN 0.669 nan 8.230 nan 0.000 0.502 510 D N -0.075 119.867 120.400 -0.763 0.000 2.310 510 D HA -0.196 4.444 4.640 -0.001 0.000 0.212 510 D C 0.886 176.894 176.300 -0.487 0.000 0.965 510 D CA 0.961 54.261 54.000 -1.167 0.000 0.879 510 D CB -0.376 40.016 40.800 -0.680 0.000 0.921 510 D HN 0.423 nan 8.370 nan 0.000 0.510 511 N N -0.407 118.136 118.700 -0.261 0.000 2.280 511 N HA 0.016 4.755 4.740 -0.001 0.000 0.192 511 N C 0.275 175.751 175.510 -0.056 0.000 1.109 511 N CA -0.272 52.713 53.050 -0.109 0.000 0.855 511 N CB 0.475 38.917 38.487 -0.074 0.000 0.974 511 N HN 0.057 nan 8.380 nan 0.000 0.482 512 K N 1.128 121.496 120.400 -0.055 0.000 2.298 512 K HA 0.189 4.508 4.320 -0.001 0.000 0.280 512 K C -0.580 176.052 176.600 0.053 0.000 1.032 512 K CA -0.426 55.869 56.287 0.013 0.000 0.958 512 K CB 0.749 33.271 32.500 0.037 0.000 0.978 512 K HN 0.027 nan 8.250 nan 0.000 0.472 513 c N 3.977 122.600 118.600 0.037 0.000 2.651 513 c HA 0.387 4.956 4.570 -0.001 0.000 0.410 513 c C 1.372 175.500 174.090 0.063 0.000 1.372 513 c CA 1.483 57.834 56.329 0.036 0.000 1.707 513 c CB -1.400 41.119 42.510 0.014 0.000 2.501 513 c HN 1.050 nan 8.230 nan 0.000 0.598 514 G N 3.967 112.808 108.800 0.069 0.000 2.201 514 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.212 514 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.212 514 G C -0.077 174.869 174.900 0.076 0.000 0.994 514 G CA 0.206 45.353 45.100 0.078 0.000 0.644 514 G HN 0.931 nan 8.290 nan 0.000 0.508 515 Y N 1.463 121.729 120.300 -0.057 0.000 2.377 515 Y HA 0.524 5.073 4.550 -0.001 0.000 0.330 515 Y C -0.039 175.740 175.900 -0.201 0.000 1.108 515 Y CA -0.272 57.758 58.100 -0.117 0.000 1.308 515 Y CB 1.219 39.637 38.460 -0.070 0.000 1.216 515 Y HN 0.181 nan 8.280 nan 0.000 0.518 516 V N 7.232 126.520 119.914 -1.044 0.000 2.525 516 V HA 0.183 4.302 4.120 -0.001 0.000 0.299 516 V C -0.620 174.858 176.094 -1.027 0.000 1.034 516 V CA -1.288 60.434 62.300 -0.964 0.000 0.863 516 V CB 1.609 32.831 31.823 -1.002 0.000 0.999 516 V HN 0.825 nan 8.190 nan 0.000 0.423 517 N N 2.920 121.222 118.700 -0.664 0.000 2.411 517 N HA 0.088 4.827 4.740 -0.001 0.000 0.259 517 N C 1.168 176.576 175.510 -0.170 0.000 1.103 517 N CA 0.482 53.332 53.050 -0.333 0.000 0.954 517 N CB 1.988 40.400 38.487 -0.126 0.000 1.085 517 N HN 0.844 nan 8.380 nan 0.000 0.485 518 T N 0.576 115.089 114.554 -0.068 0.000 3.043 518 T HA 0.164 4.513 4.350 -0.001 0.000 0.263 518 T C 1.294 175.924 174.700 -0.118 0.000 1.094 518 T CA 0.701 62.802 62.100 0.003 0.000 1.127 518 T CB -0.192 68.833 68.868 0.262 0.000 0.905 518 T HN 0.638 nan 8.240 nan 0.000 0.490 519 G N 0.852 109.593 108.800 -0.099 0.000 2.179 519 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.260 519 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.260 519 G C -0.170 174.589 174.900 -0.235 0.000 0.977 519 G CA -0.074 44.885 45.100 -0.235 0.000 0.641 519 G HN 0.537 nan 8.290 nan 0.000 0.533 520 F N 1.197 121.224 119.950 0.128 0.000 2.394 520 F HA 0.606 5.132 4.527 -0.002 0.000 0.340 520 F C 0.932 176.788 175.800 0.094 0.000 1.105 520 F CA -1.568 56.506 58.000 0.124 0.000 1.124 520 F CB 0.816 39.920 39.000 0.172 0.000 1.145 520 F HN -0.114 nan 8.300 nan 0.000 0.505 521 I N 3.628 124.366 120.570 0.280 0.000 2.474 521 I HA 0.033 4.202 4.170 -0.001 0.000 0.287 521 I C 1.196 177.422 176.117 0.182 0.000 1.048 521 I CA -0.477 60.937 61.300 0.190 0.000 1.383 521 I CB 0.877 38.960 38.000 0.138 0.000 1.412 521 I HN 0.628 nan 8.210 nan 0.000 0.531 522 D N 5.398 125.891 120.400 0.154 0.000 2.157 522 D HA -0.263 4.376 4.640 -0.001 0.000 0.191 522 D C 1.654 178.015 176.300 0.101 0.000 1.004 522 D CA 2.029 56.102 54.000 0.120 0.000 0.854 522 D CB -0.247 40.618 40.800 0.109 0.000 0.936 522 D HN 0.581 nan 8.370 nan 0.000 0.446 523 A N 0.118 123.011 122.820 0.122 0.000 1.929 523 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 523 A C 2.201 179.884 177.584 0.165 0.000 1.176 523 A CA 1.421 53.549 52.037 0.152 0.000 0.628 523 A CB -0.565 18.553 19.000 0.197 0.000 0.816 523 A HN 0.263 nan 8.150 nan 0.000 0.444 524 E N 0.480 120.791 120.200 0.186 0.000 2.106 524 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 524 E C 1.934 178.545 176.600 0.019 0.000 0.984 524 E CA 1.573 58.051 56.400 0.130 0.000 0.806 524 E CB -0.142 29.680 29.700 0.203 0.000 0.750 524 E HN 0.316 nan 8.360 nan 0.000 0.458 525 V N 1.588 121.531 119.914 0.048 0.000 2.358 525 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 525 V C 2.594 178.691 176.094 0.005 0.000 1.047 525 V CA 1.454 63.757 62.300 0.005 0.000 1.035 525 V CB -0.552 31.285 31.823 0.024 0.000 0.658 525 V HN 0.242 nan 8.190 nan 0.000 0.452 526 L N 0.400 121.626 121.223 0.004 0.000 2.056 526 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 526 L C 2.385 179.241 176.870 -0.024 0.000 1.078 526 L CA 2.013 56.855 54.840 0.003 0.000 0.749 526 L CB -0.880 41.177 42.059 -0.003 0.000 0.901 526 L HN 0.203 nan 8.230 nan 0.000 0.433 527 K N -0.296 120.022 120.400 -0.137 0.000 2.026 527 K HA -0.164 4.155 4.320 -0.001 0.000 0.208 527 K C 1.922 178.407 176.600 -0.191 0.000 1.048 527 K CA 1.520 57.636 56.287 -0.287 0.000 0.929 527 K CB -0.240 31.785 32.500 -0.790 0.000 0.713 527 K HN 0.438 nan 8.250 nan 0.000 0.439 528 A N 0.236 122.975 122.820 -0.134 0.000 1.933 528 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 528 A C 2.078 179.651 177.584 -0.019 0.000 1.175 528 A CA 1.318 53.312 52.037 -0.072 0.000 0.628 528 A CB -0.787 18.188 19.000 -0.041 0.000 0.814 528 A HN 0.562 nan 8.150 nan 0.000 0.444 529 Y N 0.284 120.529 120.300 -0.092 0.000 2.200 529 Y HA -0.116 4.433 4.550 -0.002 0.000 0.290 529 Y C 1.989 177.854 175.900 -0.058 0.000 1.137 529 Y CA 1.568 59.630 58.100 -0.064 0.000 1.163 529 Y CB -0.189 38.235 38.460 -0.059 0.000 0.988 529 Y HN 0.261 nan 8.280 nan 0.000 0.518 530 I N 0.084 120.637 120.570 -0.028 0.000 2.179 530 I HA -0.366 3.803 4.170 -0.001 0.000 0.242 530 I C 2.565 178.604 176.117 -0.130 0.000 1.088 530 I CA 1.910 63.156 61.300 -0.090 0.000 1.357 530 I CB -0.468 37.501 38.000 -0.052 0.000 1.051 530 I HN 0.305 nan 8.210 nan 0.000 0.409 531 Q N 1.565 121.295 119.800 -0.116 0.000 2.084 531 Q HA -0.254 4.085 4.340 -0.001 0.000 0.202 531 Q C 2.138 178.075 176.000 -0.105 0.000 0.978 531 Q CA 2.045 57.789 55.803 -0.098 0.000 0.844 531 Q CB 0.002 28.687 28.738 -0.088 0.000 0.898 531 Q HN 0.544 nan 8.270 nan 0.000 0.426 532 K N -1.405 118.913 120.400 -0.137 0.000 2.305 532 K HA 0.088 4.408 4.320 -0.001 0.000 0.199 532 K C 1.585 178.075 176.600 -0.183 0.000 1.047 532 K CA 1.292 57.498 56.287 -0.135 0.000 0.976 532 K CB 0.233 32.663 32.500 -0.117 0.000 0.765 532 K HN -0.053 nan 8.250 nan 0.000 0.474 533 S N 0.777 116.308 115.700 -0.282 0.000 2.503 533 S HA 0.011 4.480 4.470 -0.001 0.000 0.217 533 S C 0.679 175.204 174.600 -0.125 0.000 0.999 533 S CA -0.211 57.827 58.200 -0.271 0.000 0.914 533 S CB 0.307 63.213 63.200 -0.491 0.000 0.782 533 S HN 0.402 nan 8.310 nan 0.000 0.520 534 S N 3.251 118.890 115.700 -0.101 0.000 2.576 534 S HA 0.263 4.732 4.470 -0.001 0.000 0.276 534 S C -2.484 172.097 174.600 -0.031 0.000 1.339 534 S CA -1.264 56.907 58.200 -0.048 0.000 1.039 534 S CB 0.113 63.286 63.200 -0.045 0.000 0.902 534 S HN 0.103 nan 8.310 nan 0.000 0.516 535 P HA 0.265 nan 4.420 nan 0.000 0.276 535 P C -0.960 176.354 177.300 0.023 0.000 1.230 535 P CA -0.337 62.764 63.100 0.003 0.000 0.776 535 P CB 0.309 32.013 31.700 0.006 0.000 0.888 536 L N 2.360 123.612 121.223 0.048 0.000 2.326 536 L HA 0.264 4.603 4.340 -0.001 0.000 0.278 536 L C 0.726 177.664 176.870 0.113 0.000 1.092 536 L CA -0.363 54.548 54.840 0.119 0.000 0.810 536 L CB 0.396 42.548 42.059 0.155 0.000 1.153 536 L HN 0.352 nan 8.230 nan 0.000 0.439 537 D N 1.983 122.452 120.400 0.114 0.000 2.412 537 D HA 0.177 4.816 4.640 -0.001 0.000 0.224 537 D C 0.821 177.184 176.300 0.105 0.000 1.093 537 D CA -0.580 53.461 54.000 0.069 0.000 0.850 537 D CB 1.761 42.567 40.800 0.010 0.000 1.046 537 D HN 0.307 nan 8.370 nan 0.000 0.507 538 V N 2.246 122.248 119.914 0.146 0.000 2.759 538 V HA -0.133 3.987 4.120 -0.001 0.000 0.256 538 V C 2.053 178.226 176.094 0.131 0.000 1.080 538 V CA 1.639 64.082 62.300 0.238 0.000 1.101 538 V CB -1.053 30.874 31.823 0.173 0.000 0.698 538 V HN 0.542 nan 8.190 nan 0.000 0.477 539 S N 0.821 116.545 115.700 0.040 0.000 2.402 539 S HA -0.186 4.283 4.470 -0.001 0.000 0.233 539 S C 1.835 176.393 174.600 -0.068 0.000 1.030 539 S CA 1.823 60.024 58.200 0.002 0.000 1.003 539 S CB -0.972 62.225 63.200 -0.004 0.000 0.813 539 S HN 0.498 nan 8.310 nan 0.000 0.477 540 V N 0.202 119.997 119.914 -0.199 0.000 2.759 540 V HA -0.067 4.053 4.120 -0.001 0.000 0.256 540 V C 1.461 177.265 176.094 -0.485 0.000 1.080 540 V CA 1.354 63.423 62.300 -0.385 0.000 1.101 540 V CB -1.079 30.414 31.823 -0.551 0.000 0.698 540 V HN 0.637 nan 8.190 nan 0.000 0.477 541 Y N -1.096 119.242 120.300 0.064 0.000 2.485 541 Y HA 0.336 4.886 4.550 -0.001 0.000 0.260 541 Y C 0.957 176.897 175.900 0.067 0.000 1.173 541 Y CA -0.918 57.225 58.100 0.071 0.000 1.252 541 Y CB 0.073 38.581 38.460 0.080 0.000 1.123 541 Y HN 0.162 nan 8.280 nan 0.000 0.524 542 E N 2.183 122.450 120.200 0.112 0.000 2.223 542 E HA 0.209 4.558 4.350 -0.001 0.000 0.282 542 E C -2.421 174.232 176.600 0.087 0.000 1.046 542 E CA -2.083 54.378 56.400 0.102 0.000 0.857 542 E CB 0.780 30.522 29.700 0.070 0.000 1.055 542 E HN 0.109 nan 8.360 nan 0.000 0.409 543 P HA 0.080 nan 4.420 nan 0.000 0.269 543 P C -0.271 177.069 177.300 0.066 0.000 1.209 543 P CA 0.100 63.255 63.100 0.092 0.000 0.776 543 P CB 0.529 32.303 31.700 0.124 0.000 0.876 544 K N 1.848 122.274 120.400 0.043 0.000 3.202 544 K HA 0.359 4.678 4.320 -0.001 0.000 0.206 544 K C 0.587 177.196 176.600 0.015 0.000 1.142 544 K CA -0.151 56.153 56.287 0.028 0.000 0.979 544 K CB 0.188 32.696 32.500 0.015 0.000 0.863 544 K HN 0.770 nan 8.250 nan 0.000 0.479 545 G N 1.543 110.358 108.800 0.025 0.000 2.143 545 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.248 545 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.248 545 G C 0.636 175.498 174.900 -0.064 0.000 0.991 545 G CA 0.532 45.636 45.100 0.006 0.000 0.689 545 G HN 0.438 nan 8.290 nan 0.000 0.522 546 E N -0.703 119.445 120.200 -0.088 0.000 2.097 546 E HA 0.089 4.438 4.350 -0.001 0.000 0.196 546 E C 1.762 178.139 176.600 -0.372 0.000 1.000 546 E CA 1.584 57.879 56.400 -0.176 0.000 0.804 546 E CB -0.009 29.608 29.700 -0.139 0.000 0.740 546 E HN 1.278 nan 8.360 nan 0.000 0.454 547 V N -1.729 117.925 119.914 -0.434 0.000 2.581 547 V HA 0.785 4.904 4.120 -0.001 0.000 0.303 547 V C -0.336 175.497 176.094 -0.435 0.000 1.041 547 V CA -0.568 61.207 62.300 -0.874 0.000 0.907 547 V CB 2.040 33.098 31.823 -1.275 0.000 0.994 547 V HN 0.096 nan 8.190 nan 0.000 0.442 548 S N 2.714 118.118 115.700 -0.493 0.000 2.565 548 S HA 0.734 5.203 4.470 -0.001 0.000 0.269 548 S C -1.601 172.951 174.600 -0.081 0.000 1.153 548 S CA -0.759 57.414 58.200 -0.045 0.000 0.835 548 S CB 1.871 65.099 63.200 0.047 0.000 1.122 548 S HN 0.962 nan 8.310 nan 0.000 0.462 549 W N 0.894 122.315 121.300 0.202 0.000 2.785 549 W HA 0.495 5.155 4.660 -0.001 0.000 0.333 549 W C -0.502 176.088 176.519 0.118 0.000 1.062 549 W CA -0.540 56.914 57.345 0.182 0.000 1.233 549 W CB 2.292 31.870 29.460 0.197 0.000 1.413 549 W HN 0.732 nan 8.180 nan 0.000 0.489 550 Q N 1.119 121.079 119.800 0.266 0.000 2.399 550 Q HA 0.761 5.100 4.340 -0.001 0.000 0.276 550 Q C -0.079 176.007 176.000 0.144 0.000 1.098 550 Q CA -0.452 55.454 55.803 0.172 0.000 0.827 550 Q CB 2.609 31.412 28.738 0.107 0.000 1.386 550 Q HN 0.594 nan 8.270 nan 0.000 0.443 551 E N 0.000 120.265 120.200 0.108 0.000 2.725 551 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 551 E CA 0.000 nan 56.400 nan 0.000 0.976 551 E CB 0.000 nan 29.700 nan 0.000 0.812 551 E HN 0.000 nan 8.360 nan 0.000 0.440