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 2ush_1_B 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 HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVXXXXKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSW 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 0.000 176.054 175.900 0.256 0.000 1.272 26 Y CA 0.000 58.224 58.100 0.207 0.000 1.940 26 Y CB 0.000 38.605 38.460 0.243 0.000 1.050 27 E N 2.324 122.870 120.200 0.578 0.000 2.290 27 E HA 0.119 4.468 4.350 -0.000 0.000 0.277 27 E C -0.517 176.346 176.600 0.438 0.000 1.035 27 E CA -0.412 56.190 56.400 0.336 0.000 0.873 27 E CB 0.885 30.707 29.700 0.202 0.000 1.029 27 E HN 0.681 nan 8.360 nan 0.000 0.419 28 Q N 3.353 123.330 119.800 0.295 0.000 2.392 28 Q HA -0.047 4.293 4.340 -0.000 0.000 0.262 28 Q C -0.490 175.625 176.000 0.192 0.000 1.003 28 Q CA 0.306 56.297 55.803 0.314 0.000 0.888 28 Q CB 0.533 29.389 28.738 0.198 0.000 1.260 28 Q HN 0.672 nan 8.270 nan 0.000 0.435 29 D N 0.443 120.937 120.400 0.157 0.000 3.046 29 D HA -0.195 4.445 4.640 -0.000 0.000 0.210 29 D C -0.742 175.583 176.300 0.043 0.000 1.124 29 D CA 1.295 55.338 54.000 0.072 0.000 0.986 29 D CB -0.653 40.177 40.800 0.050 0.000 1.118 29 D HN 0.550 nan 8.370 nan 0.000 0.416 30 K N 0.611 121.048 120.400 0.062 0.000 2.234 30 K HA 0.339 4.659 4.320 -0.000 0.000 0.282 30 K C -0.552 176.013 176.600 -0.058 0.000 1.039 30 K CA -0.044 56.196 56.287 -0.079 0.000 0.928 30 K CB 0.789 33.132 32.500 -0.261 0.000 1.039 30 K HN -0.181 nan 8.250 nan 0.000 0.470 31 T N 4.547 119.056 114.554 -0.075 0.000 2.727 31 T HA 0.216 4.566 4.350 -0.000 0.000 0.298 31 T C -0.996 173.721 174.700 0.028 0.000 0.942 31 T CA -0.185 61.934 62.100 0.032 0.000 0.997 31 T CB -0.129 68.753 68.868 0.023 0.000 0.917 31 T HN 0.305 nan 8.240 nan 0.000 0.487 32 Y N 2.311 122.689 120.300 0.129 0.000 2.310 32 Y HA 0.403 4.953 4.550 -0.000 0.000 0.326 32 Y C 0.948 176.915 175.900 0.113 0.000 1.151 32 Y CA -0.820 57.353 58.100 0.121 0.000 1.195 32 Y CB 0.985 39.526 38.460 0.135 0.000 1.210 32 Y HN 0.328 nan 8.280 nan 0.000 0.483 33 K N 4.615 125.149 120.400 0.224 0.000 2.265 33 K HA 0.613 4.933 4.320 -0.000 0.000 0.267 33 K C -1.218 175.473 176.600 0.151 0.000 0.994 33 K CA -0.316 56.069 56.287 0.163 0.000 0.860 33 K CB 1.269 33.828 32.500 0.098 0.000 1.099 33 K HN 0.566 nan 8.250 nan 0.000 0.448 34 I N 1.990 122.658 120.570 0.164 0.000 2.499 34 I HA 0.209 4.379 4.170 -0.000 0.000 0.288 34 I C -0.516 175.706 176.117 0.175 0.000 1.048 34 I CA -0.709 60.669 61.300 0.130 0.000 1.062 34 I CB 2.395 40.445 38.000 0.083 0.000 1.238 34 I HN 0.438 nan 8.210 nan 0.000 0.426 35 T N 5.422 120.040 114.554 0.106 0.000 2.770 35 T HA 0.425 4.775 4.350 -0.000 0.000 0.283 35 T C -0.267 174.483 174.700 0.084 0.000 0.988 35 T CA -0.430 61.727 62.100 0.096 0.000 0.957 35 T CB 1.730 70.615 68.868 0.028 0.000 0.930 35 T HN 0.167 nan 8.240 nan 0.000 0.443 36 V N 5.789 125.792 119.914 0.147 0.000 2.350 36 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 36 V C -0.026 176.138 176.094 0.117 0.000 1.028 36 V CA -0.690 61.681 62.300 0.117 0.000 0.860 36 V CB 0.771 32.713 31.823 0.199 0.000 0.990 36 V HN 0.720 nan 8.190 nan 0.000 0.453 37 L N 5.955 127.205 121.223 0.045 0.000 2.334 37 L HA 0.768 5.108 4.340 -0.000 0.000 0.275 37 L C -0.256 176.674 176.870 0.100 0.000 1.036 37 L CA -0.555 54.298 54.840 0.022 0.000 0.807 37 L CB 1.553 43.556 42.059 -0.094 0.000 1.231 37 L HN 0.945 nan 8.230 nan 0.000 0.438 38 H N -0.706 118.356 119.070 -0.014 0.000 3.064 38 H HA 0.768 5.324 4.556 -0.000 0.000 0.352 38 H C -1.148 174.232 175.328 0.087 0.000 1.260 38 H CA -0.828 55.247 56.048 0.044 0.000 1.160 38 H CB 1.801 31.605 29.762 0.070 0.000 1.879 38 H HN 0.554 nan 8.280 nan 0.000 0.544 39 T N 0.374 115.021 114.554 0.155 0.000 2.816 39 T HA 0.590 4.940 4.350 -0.000 0.000 0.299 39 T C -1.210 173.601 174.700 0.184 0.000 1.230 39 T CA -0.931 61.244 62.100 0.125 0.000 1.007 39 T CB 2.128 71.097 68.868 0.169 0.000 1.289 39 T HN 1.152 nan 8.240 nan 0.000 0.508 40 N N -0.935 117.855 118.700 0.151 0.000 2.961 40 N HA 0.223 4.963 4.740 -0.000 0.000 0.245 40 N C -1.602 173.983 175.510 0.125 0.000 1.404 40 N CA -0.686 52.453 53.050 0.149 0.000 0.880 40 N CB 0.963 39.555 38.487 0.175 0.000 1.461 40 N HN 0.879 nan 8.380 nan 0.000 0.510 41 D N 0.180 120.647 120.400 0.111 0.000 2.704 41 D HA -0.231 4.409 4.640 -0.000 0.000 0.232 41 D C 0.837 177.180 176.300 0.071 0.000 1.183 41 D CA 0.982 54.991 54.000 0.014 0.000 0.647 41 D CB -0.907 40.009 40.800 0.193 0.000 1.013 41 D HN 0.677 nan 8.370 nan 0.000 0.415 42 H N 0.813 119.842 119.070 -0.068 0.000 2.352 42 H HA -0.165 4.390 4.556 -0.000 0.000 0.299 42 H C 0.713 176.150 175.328 0.182 0.000 1.097 42 H CA 2.473 58.537 56.048 0.027 0.000 1.311 42 H CB 0.083 29.792 29.762 -0.088 0.000 1.377 42 H HN 0.408 nan 8.280 nan 0.000 0.504 43 H N -0.788 118.355 119.070 0.122 0.000 2.506 43 H HA -0.157 4.399 4.556 -0.000 0.000 0.323 43 H C 1.512 176.706 175.328 -0.223 0.000 1.076 43 H CA 1.177 57.234 56.048 0.016 0.000 1.108 43 H CB -1.744 28.089 29.762 0.118 0.000 1.569 43 H HN 0.826 nan 8.280 nan 0.000 0.399 44 G N 0.573 109.304 108.800 -0.115 0.000 2.180 44 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.263 44 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.263 44 G C 0.361 174.971 174.900 -0.484 0.000 0.989 44 G CA 0.554 45.547 45.100 -0.179 0.000 0.692 44 G HN 0.798 nan 8.290 nan 0.000 0.526 45 H N 0.123 118.763 119.070 -0.716 0.000 2.768 45 H HA 0.239 4.795 4.556 -0.000 0.000 0.228 45 H C 1.770 176.996 175.328 -0.170 0.000 1.812 45 H CA 0.340 56.074 56.048 -0.523 0.000 1.273 45 H CB -0.737 28.688 29.762 -0.563 0.000 1.631 45 H HN 0.619 nan 8.280 nan 0.000 0.526 46 F N -1.879 118.151 119.950 0.134 0.000 2.325 46 F HA 0.018 4.545 4.527 -0.000 0.000 0.299 46 F C 0.843 176.832 175.800 0.314 0.000 1.090 46 F CA -0.214 57.959 58.000 0.288 0.000 1.392 46 F CB 0.119 39.231 39.000 0.186 0.000 1.053 46 F HN 0.169 nan 8.300 nan 0.000 0.521 47 W N 4.839 125.852 121.300 -0.479 0.000 2.578 47 W HA 0.371 5.031 4.660 -0.000 0.000 0.346 47 W C 0.008 176.451 176.519 -0.126 0.000 1.075 47 W CA -1.549 55.638 57.345 -0.263 0.000 1.233 47 W CB 1.284 30.426 29.460 -0.530 0.000 1.358 47 W HN -0.064 nan 8.180 nan 0.000 0.574 48 R N 2.886 123.085 120.500 -0.501 0.000 2.784 48 R HA 0.038 4.378 4.340 -0.000 0.000 0.266 48 R C 0.253 176.409 176.300 -0.240 0.000 1.044 48 R CA -0.148 55.728 56.100 -0.373 0.000 1.151 48 R CB 0.120 30.137 30.300 -0.471 0.000 1.037 48 R HN 0.462 nan 8.270 nan 0.000 0.478 49 N N 0.619 119.093 118.700 -0.378 0.000 2.405 49 N HA -0.030 4.710 4.740 -0.000 0.000 0.269 49 N C 0.172 175.537 175.510 -0.242 0.000 1.249 49 N CA -0.340 52.567 53.050 -0.238 0.000 0.974 49 N CB 0.274 38.615 38.487 -0.243 0.000 1.204 49 N HN 0.773 nan 8.380 nan 0.000 0.565 50 E N -1.073 118.934 120.200 -0.322 0.000 2.208 50 E HA -0.255 4.095 4.350 -0.000 0.000 0.202 50 E C 0.135 176.391 176.600 -0.573 0.000 1.014 50 E CA 1.730 57.822 56.400 -0.513 0.000 0.819 50 E CB -0.479 28.718 29.700 -0.837 0.000 0.735 50 E HN 0.613 nan 8.360 nan 0.000 0.469 51 Y N -0.770 119.482 120.300 -0.081 0.000 2.571 51 Y HA 0.341 4.891 4.550 -0.000 0.000 0.275 51 Y C 1.392 177.219 175.900 -0.123 0.000 1.179 51 Y CA 0.047 58.097 58.100 -0.083 0.000 1.242 51 Y CB 0.657 39.073 38.460 -0.072 0.000 1.126 51 Y HN 0.048 nan 8.280 nan 0.000 0.524 52 G N 0.488 109.233 108.800 -0.091 0.000 2.160 52 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 52 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 52 G C -0.052 174.734 174.900 -0.189 0.000 1.008 52 G CA 0.053 45.070 45.100 -0.139 0.000 0.724 52 G HN 0.445 nan 8.290 nan 0.000 0.514 53 E N -0.526 119.492 120.200 -0.303 0.000 2.283 53 E HA 0.535 4.885 4.350 -0.000 0.000 0.271 53 E C 1.151 177.309 176.600 -0.737 0.000 1.031 53 E CA -0.546 55.603 56.400 -0.419 0.000 0.868 53 E CB 0.756 30.213 29.700 -0.406 0.000 1.094 53 E HN 0.866 nan 8.360 nan 0.000 0.401 54 Y N 0.484 120.770 120.300 -0.023 0.000 1.748 54 Y HA -0.359 4.191 4.550 -0.000 0.000 0.221 54 Y C 0.577 176.451 175.900 -0.043 0.000 0.741 54 Y CA 0.578 58.664 58.100 -0.024 0.000 1.178 54 Y CB -1.923 36.537 38.460 -0.000 0.000 0.716 54 Y HN 0.993 nan 8.280 nan 0.000 0.796 55 G N -1.385 107.645 108.800 0.383 0.000 2.675 55 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.686 55 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.686 55 G C -0.176 174.818 174.900 0.157 0.000 1.215 55 G CA -0.372 44.834 45.100 0.177 0.000 0.777 55 G HN 1.223 nan 8.290 nan 0.000 0.638 56 L N 0.953 122.288 121.223 0.187 0.000 2.217 56 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 56 L C 3.238 180.158 176.870 0.083 0.000 1.107 56 L CA 1.825 56.762 54.840 0.162 0.000 0.783 56 L CB -0.688 41.488 42.059 0.195 0.000 0.919 56 L HN 0.901 nan 8.230 nan 0.000 0.442 57 A N 0.416 123.251 122.820 0.026 0.000 1.902 57 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 57 A C 2.534 180.108 177.584 -0.017 0.000 1.181 57 A CA 1.773 53.803 52.037 -0.011 0.000 0.623 57 A CB -0.589 18.358 19.000 -0.089 0.000 0.818 57 A HN 0.379 nan 8.150 nan 0.000 0.443 58 A N -0.996 121.806 122.820 -0.030 0.000 1.968 58 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 58 A C 2.167 179.756 177.584 0.008 0.000 1.169 58 A CA 1.638 53.663 52.037 -0.020 0.000 0.638 58 A CB -0.516 18.467 19.000 -0.028 0.000 0.812 58 A HN 0.664 nan 8.150 nan 0.000 0.446 59 Q N -0.064 119.757 119.800 0.036 0.000 2.084 59 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 59 Q C 2.118 178.130 176.000 0.019 0.000 0.978 59 Q CA 1.992 57.821 55.803 0.043 0.000 0.844 59 Q CB -0.159 28.632 28.738 0.089 0.000 0.898 59 Q HN 0.687 nan 8.270 nan 0.000 0.426 60 K N -0.662 119.753 120.400 0.025 0.000 2.057 60 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 60 K C 1.873 178.471 176.600 -0.003 0.000 1.050 60 K CA 1.717 58.011 56.287 0.011 0.000 0.935 60 K CB -0.048 32.468 32.500 0.027 0.000 0.715 60 K HN 0.179 nan 8.250 nan 0.000 0.439 61 T N 1.868 116.421 114.554 -0.002 0.000 2.759 61 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 61 T C 1.625 176.317 174.700 -0.014 0.000 1.042 61 T CA 1.301 63.397 62.100 -0.007 0.000 1.140 61 T CB -0.143 68.720 68.868 -0.010 0.000 0.864 61 T HN 0.186 nan 8.240 nan 0.000 0.455 62 L N 1.132 122.345 121.223 -0.016 0.000 2.044 62 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 62 L C 2.401 179.249 176.870 -0.037 0.000 1.075 62 L CA 1.440 56.266 54.840 -0.023 0.000 0.747 62 L CB -0.667 41.380 42.059 -0.020 0.000 0.903 62 L HN 0.056 nan 8.230 nan 0.000 0.435 63 V N 0.037 119.923 119.914 -0.046 0.000 2.427 63 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 63 V C 2.228 178.290 176.094 -0.055 0.000 1.051 63 V CA 1.830 64.088 62.300 -0.070 0.000 1.048 63 V CB -0.896 30.862 31.823 -0.108 0.000 0.666 63 V HN 0.424 nan 8.190 nan 0.000 0.456 64 D N 0.859 121.237 120.400 -0.036 0.000 2.144 64 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 64 D C 2.228 178.515 176.300 -0.022 0.000 0.984 64 D CA 1.575 55.560 54.000 -0.024 0.000 0.834 64 D CB -0.613 40.180 40.800 -0.012 0.000 0.955 64 D HN 0.454 nan 8.370 nan 0.000 0.465 65 G N 0.756 109.543 108.800 -0.022 0.000 2.421 65 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 65 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 65 G C 1.771 176.656 174.900 -0.024 0.000 1.171 65 G CA 0.374 45.462 45.100 -0.020 0.000 0.775 65 G HN 0.273 nan 8.290 nan 0.000 0.543 66 I N 0.187 120.737 120.570 -0.033 0.000 2.252 66 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 66 I C 2.994 179.093 176.117 -0.031 0.000 1.102 66 I CA 0.843 62.120 61.300 -0.037 0.000 1.385 66 I CB -0.227 37.742 38.000 -0.052 0.000 1.064 66 I HN 0.087 nan 8.210 nan 0.000 0.414 67 R N 0.752 121.232 120.500 -0.033 0.000 2.127 67 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 67 R C 2.260 178.552 176.300 -0.013 0.000 1.134 67 R CA 1.294 57.379 56.100 -0.026 0.000 0.975 67 R CB -0.281 30.003 30.300 -0.027 0.000 0.865 67 R HN 0.324 nan 8.270 nan 0.000 0.447 68 K N 1.256 121.648 120.400 -0.013 0.000 2.116 68 K HA -0.154 4.166 4.320 -0.000 0.000 0.203 68 K C 2.056 178.653 176.600 -0.006 0.000 1.052 68 K CA 1.477 57.761 56.287 -0.007 0.000 0.952 68 K CB 0.199 32.695 32.500 -0.006 0.000 0.729 68 K HN 0.302 nan 8.250 nan 0.000 0.446 69 E N -0.069 120.125 120.200 -0.010 0.000 2.072 69 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 69 E C 1.815 178.412 176.600 -0.005 0.000 0.982 69 E CA 1.152 57.547 56.400 -0.009 0.000 0.803 69 E CB -0.340 29.352 29.700 -0.013 0.000 0.755 69 E HN -0.008 nan 8.360 nan 0.000 0.453 70 V N 2.014 121.924 119.914 -0.006 0.000 2.282 70 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 70 V C 2.685 178.785 176.094 0.010 0.000 1.057 70 V CA 2.103 64.405 62.300 0.002 0.000 1.032 70 V CB -0.949 30.874 31.823 0.001 0.000 0.645 70 V HN 0.529 nan 8.190 nan 0.000 0.447 71 A N 0.117 122.942 122.820 0.008 0.000 1.865 71 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 71 A C 2.460 180.050 177.584 0.011 0.000 1.191 71 A CA 2.364 54.408 52.037 0.012 0.000 0.623 71 A CB -1.072 17.934 19.000 0.010 0.000 0.826 71 A HN 0.646 nan 8.150 nan 0.000 0.444 72 A N -0.321 122.503 122.820 0.007 0.000 2.042 72 A HA -0.213 4.107 4.320 -0.000 0.000 0.222 72 A C 1.740 179.327 177.584 0.006 0.000 1.167 72 A CA 1.818 53.858 52.037 0.005 0.000 0.649 72 A CB -0.526 18.475 19.000 0.002 0.000 0.809 72 A HN 0.701 nan 8.150 nan 0.000 0.457 73 E N -1.840 118.365 120.200 0.007 0.000 2.479 73 E HA 0.311 4.661 4.350 -0.000 0.000 0.193 73 E C 1.051 177.659 176.600 0.013 0.000 1.049 73 E CA 0.207 56.612 56.400 0.008 0.000 0.870 73 E CB -0.001 29.704 29.700 0.009 0.000 0.944 73 E HN 0.728 nan 8.360 nan 0.000 0.492 74 G N 1.285 110.094 108.800 0.016 0.000 2.148 74 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 74 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 74 G C 0.460 175.382 174.900 0.036 0.000 0.981 74 G CA -0.036 45.076 45.100 0.020 0.000 0.670 74 G HN 0.482 nan 8.290 nan 0.000 0.528 75 G N -0.968 107.856 108.800 0.040 0.000 2.557 75 G HA2 0.706 4.665 3.960 -0.000 0.000 0.302 75 G HA3 0.706 4.665 3.960 -0.000 0.000 0.302 75 G C -0.139 174.795 174.900 0.055 0.000 1.311 75 G CA 0.406 45.542 45.100 0.059 0.000 1.030 75 G HN 0.837 nan 8.290 nan 0.000 0.509 76 S N -1.761 113.975 115.700 0.060 0.000 2.536 76 S HA 0.648 5.118 4.470 -0.000 0.000 0.298 76 S C -0.628 173.983 174.600 0.018 0.000 1.083 76 S CA -0.463 57.760 58.200 0.039 0.000 0.995 76 S CB 1.997 65.221 63.200 0.041 0.000 1.058 76 S HN 0.475 nan 8.310 nan 0.000 0.488 77 V N 2.688 122.599 119.914 -0.004 0.000 2.628 77 V HA 0.638 4.758 4.120 -0.000 0.000 0.306 77 V C -1.050 175.005 176.094 -0.066 0.000 1.045 77 V CA -0.695 61.587 62.300 -0.030 0.000 0.905 77 V CB 1.597 33.396 31.823 -0.041 0.000 0.997 77 V HN 0.685 nan 8.190 nan 0.000 0.436 78 L N 5.098 126.265 121.223 -0.093 0.000 2.439 78 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 78 L C -1.221 175.546 176.870 -0.171 0.000 0.972 78 L CA -0.363 54.374 54.840 -0.172 0.000 0.836 78 L CB 1.651 43.596 42.059 -0.190 0.000 1.255 78 L HN 0.632 nan 8.230 nan 0.000 0.404 79 L N 6.121 127.205 121.223 -0.232 0.000 2.280 79 L HA 0.664 5.003 4.340 -0.000 0.000 0.287 79 L C -1.490 175.251 176.870 -0.214 0.000 1.023 79 L CA -0.049 54.624 54.840 -0.278 0.000 0.819 79 L CB 1.018 42.785 42.059 -0.487 0.000 1.212 79 L HN 0.553 nan 8.230 nan 0.000 0.420 80 L N 3.445 124.636 121.223 -0.053 0.000 2.333 80 L HA 0.660 5.000 4.340 -0.000 0.000 0.269 80 L C -0.059 176.959 176.870 0.248 0.000 1.010 80 L CA -0.648 54.243 54.840 0.086 0.000 0.818 80 L CB 2.055 44.145 42.059 0.051 0.000 1.306 80 L HN 0.633 nan 8.230 nan 0.000 0.430 81 S N -0.073 115.760 115.700 0.222 0.000 2.482 81 S HA 0.509 4.979 4.470 -0.000 0.000 0.303 81 S C 0.693 175.379 174.600 0.143 0.000 1.091 81 S CA -0.315 57.981 58.200 0.161 0.000 1.057 81 S CB 1.665 64.827 63.200 -0.062 0.000 1.031 81 S HN 0.795 nan 8.310 nan 0.000 0.485 82 G N 2.173 111.074 108.800 0.168 0.000 2.920 82 G HA2 0.479 4.439 3.960 -0.000 0.000 0.208 82 G HA3 0.479 4.439 3.960 -0.000 0.000 0.208 82 G C 0.904 175.967 174.900 0.271 0.000 1.159 82 G CA 0.248 45.468 45.100 0.200 0.000 0.784 82 G HN 1.547 nan 8.290 nan 0.000 0.535 83 G N -0.111 108.784 108.800 0.158 0.000 2.610 83 G HA2 0.113 4.073 3.960 -0.000 0.000 0.304 83 G HA3 0.113 4.073 3.960 -0.000 0.000 0.304 83 G C -0.384 174.511 174.900 -0.008 0.000 1.309 83 G CA -0.152 44.994 45.100 0.078 0.000 0.906 83 G HN 0.637 nan 8.290 nan 0.000 0.521 84 D N -0.996 119.314 120.400 -0.151 0.000 2.828 84 D HA -0.130 4.510 4.640 -0.000 0.000 0.241 84 D C 1.491 177.630 176.300 -0.269 0.000 1.142 84 D CA 1.022 54.901 54.000 -0.202 0.000 0.755 84 D CB -0.671 39.996 40.800 -0.221 0.000 1.014 84 D HN 0.579 nan 8.370 nan 0.000 0.420 85 I N -0.608 119.904 120.570 -0.096 0.000 2.480 85 I HA -0.045 4.125 4.170 -0.000 0.000 0.251 85 I C 1.395 177.536 176.117 0.040 0.000 1.124 85 I CA 0.688 61.932 61.300 -0.095 0.000 1.444 85 I CB -0.439 37.317 38.000 -0.407 0.000 1.098 85 I HN 0.183 nan 8.210 nan 0.000 0.428 86 N N 2.003 120.780 118.700 0.129 0.000 2.525 86 N HA 0.092 4.832 4.740 -0.000 0.000 0.271 86 N C -0.311 175.378 175.510 0.297 0.000 1.194 86 N CA 0.629 53.816 53.050 0.229 0.000 0.964 86 N CB 0.687 39.338 38.487 0.272 0.000 1.126 86 N HN 0.125 nan 8.380 nan 0.000 0.452 87 T N -0.040 114.660 114.554 0.244 0.000 0.732 87 T HA -0.007 4.343 4.350 -0.000 0.000 0.754 87 T C 0.774 175.519 174.700 0.075 0.000 0.989 87 T CA 0.757 62.973 62.100 0.194 0.000 3.981 87 T CB -1.172 67.829 68.868 0.222 0.000 2.250 87 T HN 0.980 nan 8.240 nan 0.000 0.392 88 G N 1.019 109.810 108.800 -0.016 0.000 3.609 88 G HA2 0.318 4.278 3.960 -0.000 0.000 0.219 88 G HA3 0.318 4.278 3.960 -0.000 0.000 0.219 88 G C -0.365 174.358 174.900 -0.295 0.000 0.951 88 G CA 0.208 45.218 45.100 -0.150 0.000 0.867 88 G HN 1.246 nan 8.290 nan 0.000 0.478 89 V N 1.517 121.255 119.914 -0.294 0.000 2.577 89 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 89 V C -1.512 174.494 176.094 -0.146 0.000 1.042 89 V CA -1.204 60.892 62.300 -0.339 0.000 0.872 89 V CB 2.450 33.945 31.823 -0.546 0.000 0.998 89 V HN -0.010 nan 8.190 nan 0.000 0.423 90 P HA -0.171 nan 4.420 nan 0.000 0.215 90 P C 1.225 178.522 177.300 -0.006 0.000 1.163 90 P CA 1.411 64.456 63.100 -0.093 0.000 0.894 90 P CB 0.383 31.819 31.700 -0.441 0.000 0.791 91 E N -0.967 119.203 120.200 -0.050 0.000 2.160 91 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 91 E C 2.151 178.876 176.600 0.207 0.000 0.991 91 E CA 1.550 57.988 56.400 0.065 0.000 0.810 91 E CB -1.016 28.717 29.700 0.055 0.000 0.742 91 E HN 0.175 nan 8.360 nan 0.000 0.466 92 S N -0.004 115.835 115.700 0.232 0.000 2.362 92 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 92 S C 1.373 176.070 174.600 0.163 0.000 1.032 92 S CA 0.960 59.326 58.200 0.277 0.000 0.973 92 S CB -0.191 63.173 63.200 0.273 0.000 0.849 92 S HN 0.104 nan 8.310 nan 0.000 0.465 93 D N 1.877 122.359 120.400 0.138 0.000 2.104 93 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 93 D C 1.976 178.371 176.300 0.159 0.000 0.994 93 D CA 1.132 55.227 54.000 0.158 0.000 0.830 93 D CB -0.624 40.278 40.800 0.171 0.000 0.959 93 D HN 0.388 nan 8.370 nan 0.000 0.452 94 L N 0.194 121.512 121.223 0.158 0.000 2.127 94 L HA -0.186 4.153 4.340 -0.000 0.000 0.211 94 L C 1.814 178.760 176.870 0.127 0.000 1.089 94 L CA 1.223 56.149 54.840 0.144 0.000 0.757 94 L CB -0.345 41.802 42.059 0.146 0.000 0.899 94 L HN 0.048 nan 8.230 nan 0.000 0.434 95 Q N -0.866 119.009 119.800 0.125 0.000 2.222 95 Q HA 0.027 4.366 4.340 -0.000 0.000 0.206 95 Q C -0.514 175.567 176.000 0.135 0.000 0.877 95 Q CA -0.197 55.673 55.803 0.111 0.000 0.958 95 Q CB 0.496 29.285 28.738 0.086 0.000 1.075 95 Q HN 0.274 nan 8.270 nan 0.000 0.483 96 D N 0.339 120.846 120.400 0.179 0.000 2.751 96 D HA -0.257 4.383 4.640 -0.000 0.000 0.233 96 D C 0.343 176.837 176.300 0.323 0.000 1.149 96 D CA 0.958 55.111 54.000 0.256 0.000 0.682 96 D CB -1.049 39.942 40.800 0.317 0.000 1.068 96 D HN 0.544 nan 8.370 nan 0.000 0.429 97 A N -0.657 122.283 122.820 0.200 0.000 2.861 97 A HA -0.382 3.938 4.320 -0.000 0.000 0.261 97 A C 1.539 179.143 177.584 0.034 0.000 1.351 97 A CA 2.417 54.554 52.037 0.167 0.000 0.904 97 A CB -1.955 17.231 19.000 0.310 0.000 1.076 97 A HN 0.624 nan 8.150 nan 0.000 0.729 98 E N 0.277 120.307 120.200 -0.282 0.000 2.058 98 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 98 E C -0.130 175.916 176.600 -0.924 0.000 0.997 98 E CA 1.284 57.149 56.400 -0.891 0.000 0.801 98 E CB -0.441 28.548 29.700 -1.185 0.000 0.746 98 E HN 0.645 nan 8.360 nan 0.000 0.450 99 P HA -0.167 nan 4.420 nan 0.000 0.218 99 P C 0.471 177.270 177.300 -0.836 0.000 1.149 99 P CA 1.367 63.500 63.100 -1.612 0.000 0.817 99 P CB -0.029 30.453 31.700 -2.031 0.000 0.785 100 D N -0.343 119.756 120.400 -0.502 0.000 2.084 100 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 100 D C 2.029 178.131 176.300 -0.330 0.000 0.985 100 D CA 1.092 54.941 54.000 -0.251 0.000 0.826 100 D CB -0.642 40.085 40.800 -0.122 0.000 0.978 100 D HN 0.173 nan 8.370 nan 0.000 0.456 101 F N 1.572 121.440 119.950 -0.137 0.000 2.171 101 F HA -0.059 4.468 4.527 -0.000 0.000 0.300 101 F C 2.641 178.424 175.800 -0.027 0.000 1.090 101 F CA 0.941 58.932 58.000 -0.016 0.000 1.293 101 F CB -0.206 38.849 39.000 0.091 0.000 1.013 101 F HN -0.197 nan 8.300 nan 0.000 0.486 102 R N -0.289 120.193 120.500 -0.030 0.000 2.090 102 R HA -0.038 4.302 4.340 -0.000 0.000 0.228 102 R C 2.589 178.885 176.300 -0.007 0.000 1.110 102 R CA 0.998 57.070 56.100 -0.047 0.000 0.973 102 R CB -1.064 29.117 30.300 -0.198 0.000 0.869 102 R HN 0.375 nan 8.270 nan 0.000 0.440 103 G N 1.070 109.821 108.800 -0.082 0.000 2.418 103 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 103 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 103 G C 1.445 176.384 174.900 0.065 0.000 1.158 103 G CA 0.552 45.648 45.100 -0.007 0.000 0.771 103 G HN 0.153 nan 8.290 nan 0.000 0.545 104 M N 0.664 120.297 119.600 0.054 0.000 2.213 104 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 104 M C 2.300 178.805 176.300 0.342 0.000 1.062 104 M CA 0.883 56.272 55.300 0.147 0.000 1.105 104 M CB -0.291 32.254 32.600 -0.092 0.000 1.385 104 M HN 0.114 nan 8.290 nan 0.000 0.417 105 N N 0.790 119.714 118.700 0.374 0.000 2.120 105 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 105 N C 1.572 177.211 175.510 0.215 0.000 1.024 105 N CA 1.142 54.403 53.050 0.352 0.000 0.852 105 N CB -0.421 38.223 38.487 0.263 0.000 1.003 105 N HN 0.237 nan 8.380 nan 0.000 0.424 106 L N 0.530 121.848 121.223 0.159 0.000 2.291 106 L HA 0.056 4.396 4.340 -0.000 0.000 0.214 106 L C 1.684 178.610 176.870 0.093 0.000 1.120 106 L CA 0.843 55.750 54.840 0.112 0.000 0.799 106 L CB -0.028 42.086 42.059 0.091 0.000 0.925 106 L HN -0.120 nan 8.230 nan 0.000 0.446 107 V N -0.053 119.930 119.914 0.114 0.000 2.591 107 V HA 0.229 4.349 4.120 -0.000 0.000 0.249 107 V C 1.634 177.715 176.094 -0.022 0.000 1.053 107 V CA 1.015 63.347 62.300 0.053 0.000 1.068 107 V CB -0.808 31.078 31.823 0.104 0.000 0.689 107 V HN 0.655 nan 8.190 nan 0.000 0.462 108 G N -1.197 107.628 108.800 0.041 0.000 2.173 108 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.174 108 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.174 108 G C -0.229 174.604 174.900 -0.112 0.000 1.025 108 G CA -0.483 44.615 45.100 -0.004 0.000 0.706 108 G HN 0.354 nan 8.290 nan 0.000 0.499 109 Y N 0.921 121.100 120.300 -0.202 0.000 2.702 109 Y HA 0.197 4.747 4.550 -0.000 0.000 0.336 109 Y C 1.622 177.370 175.900 -0.254 0.000 1.235 109 Y CA 0.828 58.690 58.100 -0.398 0.000 1.492 109 Y CB 0.606 38.498 38.460 -0.946 0.000 1.308 109 Y HN 0.194 nan 8.280 nan 0.000 0.589 110 D N 1.201 121.550 120.400 -0.084 0.000 2.338 110 D HA 0.282 4.921 4.640 -0.000 0.000 0.208 110 D C 0.200 176.654 176.300 0.256 0.000 0.997 110 D CA 0.802 54.837 54.000 0.059 0.000 0.880 110 D CB 0.521 41.142 40.800 -0.298 0.000 0.980 110 D HN 0.508 nan 8.370 nan 0.000 0.509 111 A N 0.138 123.042 122.820 0.140 0.000 2.566 111 A HA 0.640 4.960 4.320 -0.000 0.000 0.290 111 A C -1.712 176.002 177.584 0.216 0.000 1.071 111 A CA -0.624 51.606 52.037 0.321 0.000 0.658 111 A CB 1.820 21.043 19.000 0.371 0.000 1.285 111 A HN 0.031 nan 8.150 nan 0.000 0.427 112 M N 0.981 120.758 119.600 0.294 0.000 2.371 112 M HA 0.682 5.162 4.480 -0.000 0.000 0.287 112 M C -0.713 175.697 176.300 0.184 0.000 1.149 112 M CA -0.506 54.926 55.300 0.220 0.000 0.929 112 M CB 1.888 34.681 32.600 0.322 0.000 1.683 112 M HN 1.527 nan 8.290 nan 0.000 0.470 113 A N 4.608 127.517 122.820 0.148 0.000 2.302 113 A HA 0.683 5.003 4.320 -0.000 0.000 0.285 113 A C -0.537 177.097 177.584 0.084 0.000 1.105 113 A CA -0.638 51.476 52.037 0.129 0.000 0.816 113 A CB 0.403 19.496 19.000 0.155 0.000 1.067 113 A HN 0.881 nan 8.150 nan 0.000 0.489 114 I N 1.960 122.547 120.570 0.029 0.000 2.416 114 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 114 I C 1.121 177.228 176.117 -0.016 0.000 1.051 114 I CA 0.151 61.426 61.300 -0.043 0.000 1.375 114 I CB 1.065 38.950 38.000 -0.192 0.000 1.407 114 I HN 0.718 nan 8.210 nan 0.000 0.516 115 G N 4.101 112.801 108.800 -0.166 0.000 2.462 115 G HA2 0.106 4.066 3.960 -0.000 0.000 0.319 115 G HA3 0.106 4.066 3.960 -0.000 0.000 0.319 115 G C 0.918 175.742 174.900 -0.126 0.000 1.171 115 G CA -0.618 44.127 45.100 -0.592 0.000 0.920 115 G HN 0.730 nan 8.290 nan 0.000 0.499 116 N N -0.095 118.535 118.700 -0.116 0.000 2.149 116 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 116 N C 1.194 176.826 175.510 0.202 0.000 1.019 116 N CA 1.568 54.676 53.050 0.096 0.000 0.857 116 N CB -0.548 37.915 38.487 -0.040 0.000 0.997 116 N HN 0.642 nan 8.380 nan 0.000 0.426 117 H N -0.096 119.109 119.070 0.226 0.000 2.559 117 H HA 0.078 4.634 4.556 -0.000 0.000 0.273 117 H C 0.799 176.261 175.328 0.223 0.000 1.000 117 H CA 0.568 56.782 56.048 0.277 0.000 1.195 117 H CB 0.288 30.240 29.762 0.317 0.000 1.368 117 H HN 0.322 nan 8.280 nan 0.000 0.592 118 E N 0.052 120.363 120.200 0.184 0.000 2.418 118 E HA -0.056 4.294 4.350 -0.000 0.000 0.197 118 E C 0.540 176.999 176.600 -0.235 0.000 1.026 118 E CA 0.346 56.715 56.400 -0.052 0.000 0.862 118 E CB -0.177 29.369 29.700 -0.256 0.000 0.799 118 E HN 0.350 nan 8.360 nan 0.000 0.518 119 F N -0.212 119.893 119.950 0.259 0.000 2.639 119 F HA 0.153 4.680 4.527 -0.000 0.000 0.300 119 F C 1.133 177.133 175.800 0.332 0.000 1.109 119 F CA -0.153 58.049 58.000 0.337 0.000 1.335 119 F CB 0.459 39.852 39.000 0.654 0.000 1.014 119 F HN -0.108 nan 8.300 nan 0.000 0.537 120 D N -0.395 120.248 120.400 0.406 0.000 2.234 120 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 120 D C 0.656 177.132 176.300 0.294 0.000 0.962 120 D CA 0.890 55.163 54.000 0.455 0.000 0.855 120 D CB 0.063 41.169 40.800 0.510 0.000 0.951 120 D HN 0.170 nan 8.370 nan 0.000 0.500 121 N N 0.310 119.040 118.700 0.050 0.000 2.483 121 N HA 0.331 5.071 4.740 -0.000 0.000 0.285 121 N C -2.558 172.599 175.510 -0.588 0.000 1.210 121 N CA -1.396 51.528 53.050 -0.210 0.000 0.931 121 N CB 0.998 39.434 38.487 -0.086 0.000 1.220 121 N HN -0.196 nan 8.380 nan 0.000 0.542 122 P HA 0.032 nan 4.420 nan 0.000 0.269 122 P C 1.078 178.197 177.300 -0.302 0.000 1.209 122 P CA -0.355 62.334 63.100 -0.684 0.000 0.776 122 P CB 0.656 32.102 31.700 -0.423 0.000 0.876 123 L N 3.119 124.249 121.223 -0.155 0.000 2.351 123 L HA -0.169 4.171 4.340 -0.000 0.000 0.220 123 L C 2.071 178.878 176.870 -0.106 0.000 1.127 123 L CA 2.146 56.951 54.840 -0.059 0.000 0.786 123 L CB -1.471 40.613 42.059 0.041 0.000 0.914 123 L HN 0.383 nan 8.230 nan 0.000 0.443 124 T N -2.361 112.115 114.554 -0.130 0.000 2.777 124 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 124 T C 1.833 176.425 174.700 -0.180 0.000 1.040 124 T CA 1.657 63.675 62.100 -0.137 0.000 1.141 124 T CB -0.160 68.640 68.868 -0.113 0.000 0.868 124 T HN 0.196 nan 8.240 nan 0.000 0.444 125 V N 1.636 121.438 119.914 -0.187 0.000 2.453 125 V HA -0.021 4.099 4.120 -0.000 0.000 0.247 125 V C 2.525 178.450 176.094 -0.282 0.000 1.048 125 V CA 1.427 63.599 62.300 -0.213 0.000 1.049 125 V CB -0.693 31.047 31.823 -0.140 0.000 0.672 125 V HN 0.411 nan 8.190 nan 0.000 0.457 126 L N 0.409 121.493 121.223 -0.231 0.000 1.994 126 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 126 L C 2.640 179.347 176.870 -0.271 0.000 1.071 126 L CA 1.924 56.618 54.840 -0.244 0.000 0.745 126 L CB -0.849 41.088 42.059 -0.203 0.000 0.892 126 L HN 0.141 nan 8.230 nan 0.000 0.431 127 R N -0.293 120.087 120.500 -0.200 0.000 2.133 127 R HA -0.235 4.105 4.340 -0.000 0.000 0.247 127 R C 2.217 178.301 176.300 -0.359 0.000 1.151 127 R CA 1.616 57.588 56.100 -0.213 0.000 0.971 127 R CB -1.019 29.170 30.300 -0.184 0.000 0.866 127 R HN 0.547 nan 8.270 nan 0.000 0.447 128 Q N 1.234 120.751 119.800 -0.472 0.000 2.124 128 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 128 Q C 1.840 177.158 176.000 -1.138 0.000 0.977 128 Q CA 1.719 57.069 55.803 -0.755 0.000 0.850 128 Q CB -0.088 28.174 28.738 -0.794 0.000 0.901 128 Q HN 0.461 nan 8.270 nan 0.000 0.429 129 Q N -0.285 118.937 119.800 -0.964 0.000 2.172 129 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 129 Q C 1.850 177.360 176.000 -0.816 0.000 0.964 129 Q CA 1.260 56.467 55.803 -0.992 0.000 0.855 129 Q CB -0.079 28.072 28.738 -0.977 0.000 0.918 129 Q HN 0.552 nan 8.270 nan 0.000 0.444 130 E N 1.146 121.005 120.200 -0.569 0.000 2.265 130 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 130 E C 1.291 177.687 176.600 -0.339 0.000 0.996 130 E CA 0.827 57.000 56.400 -0.378 0.000 0.832 130 E CB 0.258 29.835 29.700 -0.204 0.000 0.756 130 E HN 0.210 nan 8.360 nan 0.000 0.491 131 K N -0.758 119.405 120.400 -0.396 0.000 2.284 131 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 131 K C 1.625 178.116 176.600 -0.182 0.000 1.048 131 K CA 0.324 56.437 56.287 -0.289 0.000 0.987 131 K CB 0.121 32.434 32.500 -0.311 0.000 0.800 131 K HN 0.202 nan 8.250 nan 0.000 0.486 132 W N 1.683 122.836 121.300 -0.245 0.000 2.418 132 W HA 0.164 4.824 4.660 -0.000 0.000 0.292 132 W C 0.885 177.284 176.519 -0.199 0.000 1.213 132 W CA -0.276 56.960 57.345 -0.181 0.000 1.283 132 W CB -0.554 28.807 29.460 -0.166 0.000 1.119 132 W HN -0.114 nan 8.180 nan 0.000 0.542 133 A N 1.382 124.109 122.820 -0.155 0.000 2.454 133 A HA 0.120 4.440 4.320 -0.000 0.000 0.260 133 A C 1.207 178.562 177.584 -0.382 0.000 1.106 133 A CA -0.055 51.701 52.037 -0.468 0.000 0.780 133 A CB 0.246 18.680 19.000 -0.943 0.000 1.044 133 A HN 0.249 nan 8.150 nan 0.000 0.498 134 K N 1.423 121.707 120.400 -0.194 0.000 2.486 134 K HA 0.058 4.378 4.320 -0.000 0.000 0.194 134 K C -0.349 176.312 176.600 0.102 0.000 1.033 134 K CA 0.562 56.866 56.287 0.028 0.000 1.004 134 K CB -0.191 32.415 32.500 0.177 0.000 0.798 134 K HN 0.783 nan 8.250 nan 0.000 0.495 135 F N 0.533 120.573 119.950 0.150 0.000 2.523 135 F HA 0.541 5.068 4.527 -0.000 0.000 0.329 135 F C -2.605 173.281 175.800 0.144 0.000 1.061 135 F CA -3.707 54.398 58.000 0.175 0.000 0.967 135 F CB 0.171 39.309 39.000 0.230 0.000 1.218 135 F HN -0.244 nan 8.300 nan 0.000 0.480 136 P HA 0.297 nan 4.420 nan 0.000 0.277 136 P C -1.287 176.171 177.300 0.262 0.000 1.240 136 P CA -0.265 62.949 63.100 0.190 0.000 0.798 136 P CB 1.896 33.696 31.700 0.166 0.000 0.979 137 L N 2.950 124.254 121.223 0.136 0.000 2.298 137 L HA 0.478 4.818 4.340 -0.000 0.000 0.284 137 L C 0.187 177.099 176.870 0.071 0.000 1.013 137 L CA -0.772 54.136 54.840 0.113 0.000 0.824 137 L CB 1.141 43.200 42.059 -0.001 0.000 1.221 137 L HN 0.249 nan 8.230 nan 0.000 0.418 138 L N 2.561 123.839 121.223 0.092 0.000 2.325 138 L HA 0.691 5.031 4.340 -0.000 0.000 0.278 138 L C 0.094 176.995 176.870 0.053 0.000 1.023 138 L CA -0.398 54.497 54.840 0.091 0.000 0.811 138 L CB 1.946 44.096 42.059 0.152 0.000 1.249 138 L HN 0.585 nan 8.230 nan 0.000 0.431 139 S N 0.396 116.136 115.700 0.067 0.000 2.584 139 S HA 0.496 4.966 4.470 -0.000 0.000 0.282 139 S C 0.097 174.731 174.600 0.056 0.000 1.138 139 S CA 0.063 58.302 58.200 0.065 0.000 0.987 139 S CB 1.459 64.674 63.200 0.025 0.000 1.137 139 S HN 0.728 nan 8.310 nan 0.000 0.457 140 A N 3.608 126.464 122.820 0.059 0.000 2.030 140 A HA 0.116 4.436 4.320 -0.000 0.000 0.215 140 A C 1.555 179.101 177.584 -0.063 0.000 1.164 140 A CA 0.918 52.971 52.037 0.027 0.000 0.697 140 A CB -0.296 18.788 19.000 0.140 0.000 0.827 140 A HN 0.882 nan 8.150 nan 0.000 0.457 141 N N 0.229 118.921 118.700 -0.014 0.000 2.314 141 N HA 0.119 4.859 4.740 -0.000 0.000 0.200 141 N C -0.235 175.201 175.510 -0.124 0.000 1.135 141 N CA 0.039 53.093 53.050 0.006 0.000 0.835 141 N CB -0.045 38.508 38.487 0.109 0.000 0.989 141 N HN 0.424 nan 8.380 nan 0.000 0.478 142 I N 1.416 121.802 120.570 -0.306 0.000 2.330 142 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 142 I C -0.795 175.007 176.117 -0.525 0.000 1.001 142 I CA -0.816 60.247 61.300 -0.395 0.000 1.193 142 I CB 0.500 38.363 38.000 -0.228 0.000 1.345 142 I HN -0.140 nan 8.210 nan 0.000 0.461 143 Y N 3.653 123.858 120.300 -0.159 0.000 2.528 143 Y HA 0.365 4.915 4.550 -0.000 0.000 0.335 143 Y C 0.272 176.110 175.900 -0.105 0.000 1.093 143 Y CA -0.717 57.322 58.100 -0.103 0.000 1.134 143 Y CB 1.357 39.775 38.460 -0.070 0.000 1.253 143 Y HN 0.440 nan 8.280 nan 0.000 0.478 144 Q N 2.471 122.338 119.800 0.112 0.000 2.390 144 Q HA 0.199 4.539 4.340 -0.000 0.000 0.249 144 Q C 0.341 176.376 176.000 0.058 0.000 0.996 144 Q CA -0.322 55.508 55.803 0.045 0.000 0.899 144 Q CB 0.750 29.492 28.738 0.007 0.000 1.216 144 Q HN 0.741 nan 8.270 nan 0.000 0.465 145 K N 1.248 121.676 120.400 0.047 0.000 2.113 145 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 145 K C 1.940 178.551 176.600 0.019 0.000 1.047 145 K CA 1.825 58.131 56.287 0.032 0.000 0.928 145 K CB 0.069 32.590 32.500 0.036 0.000 0.716 145 K HN 0.710 nan 8.250 nan 0.000 0.446 146 S N 0.866 116.578 115.700 0.019 0.000 2.354 146 S HA -0.208 4.262 4.470 -0.000 0.000 0.219 146 S C 2.364 176.966 174.600 0.004 0.000 1.035 146 S CA 2.010 60.216 58.200 0.010 0.000 1.037 146 S CB -1.182 62.023 63.200 0.007 0.000 0.956 146 S HN 0.467 nan 8.310 nan 0.000 0.428 147 T N -1.481 113.076 114.554 0.005 0.000 2.698 147 T HA 0.379 4.729 4.350 -0.000 0.000 0.260 147 T C 1.761 176.463 174.700 0.004 0.000 1.044 147 T CA 1.202 63.303 62.100 0.003 0.000 1.149 147 T CB -1.246 67.623 68.868 0.002 0.000 0.864 147 T HN 1.633 nan 8.240 nan 0.000 0.419 148 G N 1.120 109.936 108.800 0.026 0.000 2.151 148 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.156 148 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.156 148 G C -0.436 174.511 174.900 0.078 0.000 1.017 148 G CA -0.131 44.968 45.100 -0.002 0.000 0.686 148 G HN 0.726 nan 8.290 nan 0.000 0.503 149 E N -0.149 120.173 120.200 0.203 0.000 2.288 149 E HA 0.511 4.861 4.350 -0.000 0.000 0.268 149 E C 0.294 177.033 176.600 0.231 0.000 0.885 149 E CA -1.171 55.398 56.400 0.282 0.000 0.767 149 E CB 1.693 31.446 29.700 0.088 0.000 1.220 149 E HN 0.291 nan 8.360 nan 0.000 0.427 150 R N 1.470 121.993 120.500 0.039 0.000 2.583 150 R HA -0.029 4.311 4.340 -0.000 0.000 0.274 150 R C 0.919 177.067 176.300 -0.254 0.000 0.998 150 R CA 0.302 56.184 56.100 -0.363 0.000 1.081 150 R CB 0.328 30.426 30.300 -0.336 0.000 0.940 150 R HN 0.501 nan 8.270 nan 0.000 0.413 151 L N 2.176 123.210 121.223 -0.316 0.000 2.375 151 L HA 0.132 4.472 4.340 -0.000 0.000 0.215 151 L C 0.131 176.461 176.870 -0.900 0.000 1.108 151 L CA 0.739 55.234 54.840 -0.575 0.000 0.830 151 L CB 0.064 41.704 42.059 -0.699 0.000 0.959 151 L HN 0.438 nan 8.230 nan 0.000 0.457 152 F N -1.342 118.528 119.950 -0.133 0.000 2.691 152 F HA 0.385 4.911 4.527 -0.000 0.000 0.334 152 F C 0.218 175.927 175.800 -0.151 0.000 1.107 152 F CA -1.317 56.613 58.000 -0.116 0.000 0.991 152 F CB 0.723 39.682 39.000 -0.070 0.000 1.400 152 F HN -0.374 nan 8.300 nan 0.000 0.503 153 K N 2.893 123.333 120.400 0.068 0.000 2.412 153 K HA 0.110 4.429 4.320 -0.000 0.000 0.281 153 K C -1.839 174.702 176.600 -0.098 0.000 1.027 153 K CA -1.151 55.074 56.287 -0.103 0.000 0.989 153 K CB 0.672 33.108 32.500 -0.107 0.000 0.935 153 K HN 0.269 nan 8.250 nan 0.000 0.475 154 P HA -0.088 nan 4.420 nan 0.000 0.222 154 P C -0.615 176.770 177.300 0.142 0.000 1.153 154 P CA 1.126 64.175 63.100 -0.085 0.000 0.798 154 P CB 0.170 31.770 31.700 -0.166 0.000 0.796 155 W N -1.367 119.971 121.300 0.064 0.000 2.895 155 W HA 0.719 5.379 4.660 -0.000 0.000 0.377 155 W C -2.321 174.232 176.519 0.058 0.000 1.191 155 W CA -1.239 56.153 57.345 0.078 0.000 1.179 155 W CB 0.327 29.826 29.460 0.065 0.000 1.469 155 W HN -0.018 nan 8.180 nan 0.000 0.577 156 A N 1.571 124.666 122.820 0.458 0.000 2.549 156 A HA 0.773 5.093 4.320 -0.000 0.000 0.297 156 A C -2.020 175.630 177.584 0.110 0.000 1.061 156 A CA -0.839 51.294 52.037 0.160 0.000 0.690 156 A CB 1.450 20.445 19.000 -0.009 0.000 1.287 156 A HN 0.697 nan 8.150 nan 0.000 0.402 157 L N 1.154 122.293 121.223 -0.141 0.000 2.325 157 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 157 L C -1.134 175.446 176.870 -0.482 0.000 1.023 157 L CA -0.035 54.736 54.840 -0.114 0.000 0.811 157 L CB 0.894 42.949 42.059 -0.008 0.000 1.249 157 L HN 0.700 nan 8.230 nan 0.000 0.431 158 F N 1.187 121.163 119.950 0.044 0.000 2.565 158 F HA 0.499 5.025 4.527 -0.000 0.000 0.313 158 F C 0.245 176.043 175.800 -0.003 0.000 1.091 158 F CA -0.822 57.194 58.000 0.028 0.000 0.915 158 F CB 1.969 40.983 39.000 0.023 0.000 1.208 158 F HN 0.215 nan 8.300 nan 0.000 0.453 159 K N 2.829 123.318 120.400 0.149 0.000 2.182 159 K HA 0.649 4.969 4.320 -0.000 0.000 0.262 159 K C -0.703 175.948 176.600 0.084 0.000 0.957 159 K CA -1.102 55.231 56.287 0.078 0.000 0.842 159 K CB 1.722 34.250 32.500 0.046 0.000 1.099 159 K HN 0.398 nan 8.250 nan 0.000 0.438 160 R N 3.083 123.606 120.500 0.039 0.000 2.502 160 R HA 0.206 4.546 4.340 -0.000 0.000 0.300 160 R C 0.006 176.333 176.300 0.045 0.000 0.984 160 R CA -0.427 55.696 56.100 0.039 0.000 0.882 160 R CB 1.397 31.702 30.300 0.008 0.000 1.180 160 R HN 0.877 nan 8.270 nan 0.000 0.444 161 Q N 0.716 120.567 119.800 0.084 0.000 1.802 161 Q HA -0.276 4.064 4.340 -0.000 0.000 0.387 161 Q C 0.037 176.101 176.000 0.108 0.000 0.822 161 Q CA 2.230 58.110 55.803 0.129 0.000 0.840 161 Q CB -0.686 28.198 28.738 0.243 0.000 3.553 161 Q HN 0.810 nan 8.270 nan 0.000 0.735 162 D N 0.681 121.172 120.400 0.153 0.000 2.559 162 D HA 0.258 4.898 4.640 -0.000 0.000 0.234 162 D C -0.130 176.172 176.300 0.003 0.000 1.226 162 D CA 0.070 54.126 54.000 0.094 0.000 0.830 162 D CB -0.089 40.795 40.800 0.139 0.000 1.028 162 D HN 0.189 nan 8.370 nan 0.000 0.492 163 L N 0.194 121.353 121.223 -0.105 0.000 2.360 163 L HA 0.384 4.724 4.340 -0.000 0.000 0.271 163 L C 0.394 177.179 176.870 -0.143 0.000 1.057 163 L CA -0.817 53.867 54.840 -0.258 0.000 0.803 163 L CB 1.757 43.496 42.059 -0.532 0.000 1.207 163 L HN -0.154 nan 8.230 nan 0.000 0.445 164 K N 3.554 123.868 120.400 -0.143 0.000 2.464 164 K HA 0.523 4.843 4.320 -0.000 0.000 0.252 164 K C -1.188 175.361 176.600 -0.084 0.000 1.000 164 K CA -0.357 55.887 56.287 -0.072 0.000 0.951 164 K CB 0.690 33.161 32.500 -0.049 0.000 1.183 164 K HN 0.478 nan 8.250 nan 0.000 0.445 165 I N 3.592 124.149 120.570 -0.022 0.000 2.339 165 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 165 I C -0.163 176.035 176.117 0.135 0.000 0.994 165 I CA -0.784 60.517 61.300 0.001 0.000 1.191 165 I CB 1.841 39.833 38.000 -0.013 0.000 1.343 165 I HN 0.576 nan 8.210 nan 0.000 0.458 166 A N 6.535 129.397 122.820 0.070 0.000 2.317 166 A HA 0.798 5.118 4.320 -0.000 0.000 0.327 166 A C -0.631 177.048 177.584 0.158 0.000 1.178 166 A CA -0.500 51.605 52.037 0.113 0.000 0.817 166 A CB 1.264 20.222 19.000 -0.071 0.000 1.189 166 A HN 0.462 nan 8.150 nan 0.000 0.489 167 V N 4.280 124.377 119.914 0.305 0.000 2.409 167 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 167 V C 0.035 176.312 176.094 0.305 0.000 1.020 167 V CA -0.324 62.138 62.300 0.269 0.000 0.848 167 V CB 1.100 33.115 31.823 0.320 0.000 0.990 167 V HN 0.823 nan 8.190 nan 0.000 0.430 168 I N 1.760 122.465 120.570 0.225 0.000 2.577 168 I HA 0.996 5.166 4.170 -0.000 0.000 0.305 168 I C 0.362 176.601 176.117 0.203 0.000 0.986 168 I CA -0.451 61.006 61.300 0.262 0.000 1.189 168 I CB 1.999 40.122 38.000 0.206 0.000 1.355 168 I HN 0.629 nan 8.210 nan 0.000 0.476 169 G N 5.360 114.278 108.800 0.196 0.000 2.452 169 G HA2 0.713 4.673 3.960 -0.000 0.000 0.324 169 G HA3 0.713 4.673 3.960 -0.000 0.000 0.324 169 G C -1.227 173.753 174.900 0.133 0.000 1.214 169 G CA -0.777 44.415 45.100 0.154 0.000 0.947 169 G HN 0.620 nan 8.290 nan 0.000 0.478 170 L N 0.837 122.135 121.223 0.125 0.000 2.422 170 L HA 0.570 4.910 4.340 -0.000 0.000 0.264 170 L C -0.441 176.508 176.870 0.132 0.000 0.984 170 L CA -0.782 54.129 54.840 0.117 0.000 0.819 170 L CB 2.946 45.066 42.059 0.101 0.000 1.330 170 L HN 0.446 nan 8.230 nan 0.000 0.410 171 T N 0.039 114.679 114.554 0.142 0.000 2.824 171 T HA 0.225 4.575 4.350 -0.000 0.000 0.282 171 T C -0.064 174.700 174.700 0.108 0.000 0.993 171 T CA -0.376 61.823 62.100 0.165 0.000 0.967 171 T CB 1.824 70.830 68.868 0.230 0.000 0.960 171 T HN 0.611 nan 8.240 nan 0.000 0.441 172 T N 2.039 116.598 114.554 0.008 0.000 2.939 172 T HA -0.052 4.298 4.350 -0.000 0.000 0.312 172 T C 1.238 175.833 174.700 -0.174 0.000 1.064 172 T CA -0.011 62.027 62.100 -0.104 0.000 1.136 172 T CB 0.129 68.833 68.868 -0.273 0.000 1.035 172 T HN 0.706 nan 8.240 nan 0.000 0.538 173 D N 2.532 122.854 120.400 -0.130 0.000 2.349 173 D HA -0.027 4.613 4.640 -0.000 0.000 0.224 173 D C 0.770 176.884 176.300 -0.312 0.000 1.029 173 D CA 0.062 53.958 54.000 -0.173 0.000 0.879 173 D CB 0.063 40.861 40.800 -0.004 0.000 0.906 173 D HN 0.532 nan 8.370 nan 0.000 0.528 174 D N 0.851 121.090 120.400 -0.269 0.000 2.347 174 D HA -0.054 4.586 4.640 -0.000 0.000 0.215 174 D C 1.600 177.682 176.300 -0.364 0.000 0.976 174 D CA 0.505 54.372 54.000 -0.221 0.000 0.884 174 D CB 0.098 40.850 40.800 -0.079 0.000 0.915 174 D HN 0.171 nan 8.370 nan 0.000 0.526 175 T N 0.648 114.807 114.554 -0.659 0.000 2.607 175 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 175 T C 1.983 176.097 174.700 -0.977 0.000 1.049 175 T CA 1.834 63.423 62.100 -0.851 0.000 1.162 175 T CB -0.257 67.793 68.868 -1.362 0.000 0.863 175 T HN 0.217 nan 8.240 nan 0.000 0.424 176 A N 2.541 124.559 122.820 -1.337 0.000 1.828 176 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 176 A C 1.252 178.650 177.584 -0.310 0.000 1.203 176 A CA 1.199 52.646 52.037 -0.982 0.000 0.614 176 A CB -0.727 17.970 19.000 -0.503 0.000 0.844 176 A HN 0.698 nan 8.150 nan 0.000 0.445 177 K N 0.598 120.869 120.400 -0.214 0.000 2.405 177 K HA 0.201 4.521 4.320 -0.000 0.000 0.276 177 K C -0.489 176.114 176.600 0.005 0.000 1.099 177 K CA 0.405 56.659 56.287 -0.054 0.000 1.120 177 K CB -0.460 32.017 32.500 -0.039 0.000 0.877 177 K HN 0.446 nan 8.250 nan 0.000 0.472 178 I N 3.017 123.637 120.570 0.084 0.000 5.115 178 I HA -0.358 3.811 4.170 -0.000 0.000 0.126 178 I C 1.016 177.240 176.117 0.177 0.000 1.316 178 I CA 0.732 62.122 61.300 0.151 0.000 2.641 178 I CB -1.277 36.823 38.000 0.167 0.000 2.272 178 I HN 1.065 nan 8.210 nan 0.000 0.321 179 G N 1.607 110.510 108.800 0.171 0.000 2.760 179 G HA2 0.065 4.025 3.960 -0.000 0.000 0.214 179 G HA3 0.065 4.025 3.960 -0.000 0.000 0.214 179 G C 0.596 175.715 174.900 0.366 0.000 1.212 179 G CA 0.800 46.000 45.100 0.167 0.000 0.858 179 G HN 0.538 nan 8.290 nan 0.000 0.611 180 N N 0.042 119.068 118.700 0.543 0.000 3.029 180 N HA 0.148 4.888 4.740 -0.000 0.000 0.198 180 N C -2.468 173.185 175.510 0.238 0.000 1.444 180 N CA -0.635 52.647 53.050 0.387 0.000 0.784 180 N CB 1.681 40.393 38.487 0.375 0.000 1.539 180 N HN -0.166 nan 8.380 nan 0.000 0.582 181 P HA -0.201 nan 4.420 nan 0.000 0.219 181 P C 1.124 178.365 177.300 -0.098 0.000 1.145 181 P CA 1.183 64.391 63.100 0.181 0.000 0.813 181 P CB 0.335 32.105 31.700 0.116 0.000 0.771 182 E N -0.875 119.172 120.200 -0.255 0.000 2.136 182 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 182 E C 0.421 176.567 176.600 -0.757 0.000 1.019 182 E CA 1.730 57.794 56.400 -0.561 0.000 0.819 182 E CB -0.655 28.601 29.700 -0.740 0.000 0.739 182 E HN 0.367 nan 8.360 nan 0.000 0.458 183 Y N -1.778 118.230 120.300 -0.487 0.000 2.715 183 Y HA 0.289 4.839 4.550 -0.000 0.000 0.255 183 Y C -0.484 175.085 175.900 -0.550 0.000 1.139 183 Y CA -0.594 57.216 58.100 -0.483 0.000 1.151 183 Y CB 0.213 38.445 38.460 -0.380 0.000 1.201 183 Y HN -0.080 nan 8.280 nan 0.000 0.556 184 F N -0.094 119.991 119.950 0.225 0.000 2.848 184 F HA 0.366 4.892 4.527 -0.000 0.000 0.321 184 F C 0.436 176.319 175.800 0.138 0.000 1.281 184 F CA -0.940 57.178 58.000 0.197 0.000 1.209 184 F CB 0.053 39.166 39.000 0.189 0.000 1.152 184 F HN -0.241 nan 8.300 nan 0.000 0.521 185 T N -0.041 114.641 114.554 0.213 0.000 2.799 185 T HA 0.222 4.572 4.350 -0.000 0.000 0.286 185 T C 0.300 175.079 174.700 0.132 0.000 0.973 185 T CA -0.253 61.937 62.100 0.150 0.000 1.035 185 T CB 1.038 69.965 68.868 0.098 0.000 0.932 185 T HN 0.424 nan 8.240 nan 0.000 0.469 186 D N 1.431 121.895 120.400 0.106 0.000 2.981 186 D HA -0.164 4.475 4.640 -0.000 0.000 0.223 186 D C -0.604 175.744 176.300 0.080 0.000 1.151 186 D CA 0.748 54.794 54.000 0.077 0.000 0.827 186 D CB -1.391 39.443 40.800 0.057 0.000 1.101 186 D HN 0.566 nan 8.370 nan 0.000 0.426 187 I N 0.673 121.309 120.570 0.109 0.000 2.466 187 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 187 I C -0.007 176.110 176.117 -0.001 0.000 1.026 187 I CA -0.824 60.508 61.300 0.053 0.000 1.078 187 I CB 1.976 40.056 38.000 0.133 0.000 1.249 187 I HN 0.013 nan 8.210 nan 0.000 0.429 188 E N 6.200 126.340 120.200 -0.101 0.000 2.199 188 E HA 0.449 4.799 4.350 -0.000 0.000 0.265 188 E C -1.708 174.757 176.600 -0.225 0.000 0.882 188 E CA -0.633 55.732 56.400 -0.058 0.000 0.759 188 E CB 1.432 31.161 29.700 0.048 0.000 1.148 188 E HN 0.348 nan 8.360 nan 0.000 0.412 189 F N 3.922 123.859 119.950 -0.023 0.000 2.334 189 F HA 0.397 4.924 4.527 -0.000 0.000 0.367 189 F C 0.590 176.401 175.800 0.019 0.000 1.115 189 F CA -0.638 57.340 58.000 -0.038 0.000 1.116 189 F CB 0.898 39.811 39.000 -0.145 0.000 1.230 189 F HN 0.220 nan 8.300 nan 0.000 0.484 190 R N 2.467 123.079 120.500 0.187 0.000 2.459 190 R HA 0.297 4.637 4.340 -0.000 0.000 0.281 190 R C 0.004 176.383 176.300 0.133 0.000 1.050 190 R CA -1.213 54.982 56.100 0.159 0.000 1.055 190 R CB 0.751 31.168 30.300 0.195 0.000 1.045 190 R HN 0.303 nan 8.270 nan 0.000 0.495 191 K N 2.862 123.316 120.400 0.090 0.000 2.476 191 K HA -0.112 4.208 4.320 -0.000 0.000 0.273 191 K C -1.882 174.762 176.600 0.073 0.000 1.056 191 K CA -0.302 56.022 56.287 0.062 0.000 1.150 191 K CB 0.014 32.538 32.500 0.040 0.000 0.838 191 K HN 0.416 nan 8.250 nan 0.000 0.486 192 P HA -0.180 nan 4.420 nan 0.000 0.215 192 P C 1.134 178.470 177.300 0.060 0.000 1.153 192 P CA 1.642 64.784 63.100 0.071 0.000 0.853 192 P CB 0.231 31.965 31.700 0.057 0.000 0.788 193 A N -0.071 122.771 122.820 0.037 0.000 1.908 193 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 193 A C 1.937 179.543 177.584 0.037 0.000 1.181 193 A CA 2.190 54.245 52.037 0.029 0.000 0.627 193 A CB -1.426 17.579 19.000 0.009 0.000 0.818 193 A HN 0.109 nan 8.150 nan 0.000 0.445 194 D N -0.829 119.597 120.400 0.043 0.000 2.117 194 D HA -0.101 4.538 4.640 -0.000 0.000 0.198 194 D C 1.895 178.235 176.300 0.066 0.000 0.982 194 D CA 1.569 55.597 54.000 0.046 0.000 0.828 194 D CB -0.345 40.482 40.800 0.044 0.000 0.967 194 D HN 0.563 nan 8.370 nan 0.000 0.464 195 E N 0.825 121.078 120.200 0.089 0.000 2.150 195 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 195 E C 1.870 178.535 176.600 0.108 0.000 0.985 195 E CA 1.003 57.475 56.400 0.121 0.000 0.814 195 E CB -0.188 29.601 29.700 0.150 0.000 0.752 195 E HN 0.161 nan 8.360 nan 0.000 0.466 196 A N 0.992 123.862 122.820 0.085 0.000 1.877 196 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 196 A C 2.006 179.623 177.584 0.055 0.000 1.186 196 A CA 1.893 53.974 52.037 0.072 0.000 0.620 196 A CB -0.442 18.591 19.000 0.054 0.000 0.822 196 A HN 0.206 nan 8.150 nan 0.000 0.443 197 K N -0.253 120.175 120.400 0.046 0.000 2.009 197 K HA -0.122 4.198 4.320 -0.000 0.000 0.210 197 K C 1.937 178.559 176.600 0.037 0.000 1.049 197 K CA 1.596 57.902 56.287 0.032 0.000 0.929 197 K CB -0.557 31.959 32.500 0.027 0.000 0.714 197 K HN 0.482 nan 8.250 nan 0.000 0.440 198 L N 0.764 122.021 121.223 0.058 0.000 1.971 198 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 198 L C 2.498 179.412 176.870 0.072 0.000 1.072 198 L CA 1.297 56.179 54.840 0.070 0.000 0.758 198 L CB -0.907 41.212 42.059 0.100 0.000 0.889 198 L HN 0.014 nan 8.230 nan 0.000 0.433 199 V N 0.310 120.287 119.914 0.104 0.000 2.282 199 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 199 V C 2.390 178.455 176.094 -0.048 0.000 1.057 199 V CA 2.065 64.424 62.300 0.098 0.000 1.032 199 V CB -0.427 31.512 31.823 0.194 0.000 0.645 199 V HN 0.330 nan 8.190 nan 0.000 0.447 200 I N -0.371 120.180 120.570 -0.031 0.000 2.163 200 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 200 I C 2.681 178.748 176.117 -0.084 0.000 1.085 200 I CA 2.150 63.407 61.300 -0.072 0.000 1.347 200 I CB -0.503 37.477 38.000 -0.033 0.000 1.044 200 I HN 0.427 nan 8.210 nan 0.000 0.408 201 Q N 1.242 121.017 119.800 -0.042 0.000 2.045 201 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 201 Q C 2.059 178.028 176.000 -0.053 0.000 0.991 201 Q CA 2.143 57.926 55.803 -0.033 0.000 0.851 201 Q CB -0.051 28.684 28.738 -0.005 0.000 0.911 201 Q HN 0.536 nan 8.270 nan 0.000 0.418 202 E N 0.109 120.278 120.200 -0.051 0.000 2.058 202 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 202 E C 2.141 178.637 176.600 -0.174 0.000 0.997 202 E CA 1.179 57.543 56.400 -0.060 0.000 0.801 202 E CB -0.086 29.624 29.700 0.016 0.000 0.746 202 E HN 0.336 nan 8.360 nan 0.000 0.450 203 L N 1.178 122.194 121.223 -0.345 0.000 2.042 203 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 203 L C 2.371 179.113 176.870 -0.213 0.000 1.076 203 L CA 1.794 56.382 54.840 -0.420 0.000 0.749 203 L CB -1.304 40.450 42.059 -0.509 0.000 0.893 203 L HN 0.251 nan 8.230 nan 0.000 0.432 204 Q N -0.771 118.941 119.800 -0.146 0.000 2.119 204 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 204 Q C 2.189 178.153 176.000 -0.059 0.000 0.972 204 Q CA 1.256 57.009 55.803 -0.084 0.000 0.847 204 Q CB -0.088 28.615 28.738 -0.059 0.000 0.903 204 Q HN 0.614 nan 8.270 nan 0.000 0.433 205 Q N -0.473 119.295 119.800 -0.054 0.000 2.187 205 Q HA -0.092 4.248 4.340 -0.000 0.000 0.199 205 Q C 1.997 177.983 176.000 -0.023 0.000 0.957 205 Q CA 1.683 57.469 55.803 -0.028 0.000 0.857 205 Q CB 0.231 28.961 28.738 -0.014 0.000 0.929 205 Q HN 0.492 nan 8.270 nan 0.000 0.453 206 T N -2.019 112.513 114.554 -0.036 0.000 3.156 206 T HA 0.072 4.422 4.350 -0.000 0.000 0.236 206 T C 1.656 176.341 174.700 -0.024 0.000 0.978 206 T CA -0.023 62.069 62.100 -0.013 0.000 1.240 206 T CB -0.089 68.792 68.868 0.021 0.000 0.951 206 T HN -0.083 nan 8.240 nan 0.000 0.420 207 E N 1.700 121.863 120.200 -0.061 0.000 2.216 207 E HA 0.056 4.405 4.350 -0.000 0.000 0.192 207 E C 0.180 176.742 176.600 -0.062 0.000 0.988 207 E CA 0.324 56.688 56.400 -0.061 0.000 0.834 207 E CB -0.261 29.371 29.700 -0.114 0.000 0.772 207 E HN 0.634 nan 8.360 nan 0.000 0.479 208 K N 1.269 121.625 120.400 -0.074 0.000 3.689 208 K HA -0.155 4.165 4.320 -0.000 0.000 0.276 208 K C -2.324 174.249 176.600 -0.045 0.000 0.932 208 K CA 0.282 56.539 56.287 -0.050 0.000 0.758 208 K CB -1.286 31.198 32.500 -0.027 0.000 1.500 208 K HN 0.267 nan 8.250 nan 0.000 0.448 209 P HA 0.037 nan 4.420 nan 0.000 0.274 209 P C -0.080 177.196 177.300 -0.039 0.000 1.246 209 P CA -0.181 62.880 63.100 -0.065 0.000 0.795 209 P CB 0.751 32.394 31.700 -0.094 0.000 1.006 210 D N 0.101 120.460 120.400 -0.067 0.000 2.213 210 D HA 0.119 4.759 4.640 -0.000 0.000 0.205 210 D C 0.783 177.039 176.300 -0.074 0.000 0.961 210 D CA 1.266 55.233 54.000 -0.055 0.000 0.853 210 D CB 0.346 40.983 40.800 -0.272 0.000 0.967 210 D HN 0.369 nan 8.370 nan 0.000 0.496 211 I N 0.764 121.246 120.570 -0.146 0.000 2.647 211 I HA 0.348 4.518 4.170 -0.000 0.000 0.295 211 I C -0.733 175.330 176.117 -0.089 0.000 1.078 211 I CA -0.696 60.528 61.300 -0.128 0.000 1.048 211 I CB 3.019 40.874 38.000 -0.241 0.000 1.239 211 I HN -0.328 nan 8.210 nan 0.000 0.421 212 I N 6.160 126.691 120.570 -0.066 0.000 2.466 212 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 212 I C -0.817 175.279 176.117 -0.035 0.000 1.026 212 I CA -0.487 60.785 61.300 -0.047 0.000 1.078 212 I CB 2.206 40.176 38.000 -0.050 0.000 1.249 212 I HN 0.339 nan 8.210 nan 0.000 0.429 213 I N 4.775 125.339 120.570 -0.011 0.000 2.545 213 I HA 0.611 4.781 4.170 -0.000 0.000 0.292 213 I C -0.240 175.902 176.117 0.041 0.000 1.040 213 I CA -0.723 60.576 61.300 -0.000 0.000 1.068 213 I CB 2.280 40.264 38.000 -0.027 0.000 1.251 213 I HN 0.578 nan 8.210 nan 0.000 0.424 214 A N 4.511 127.358 122.820 0.045 0.000 2.303 214 A HA 0.846 5.166 4.320 -0.000 0.000 0.320 214 A C -0.335 177.290 177.584 0.069 0.000 1.192 214 A CA -0.519 51.559 52.037 0.068 0.000 0.821 214 A CB 1.095 20.131 19.000 0.061 0.000 1.188 214 A HN 0.778 nan 8.150 nan 0.000 0.492 215 A N 2.786 125.662 122.820 0.094 0.000 2.249 215 A HA 0.716 5.036 4.320 -0.000 0.000 0.314 215 A C 0.425 178.076 177.584 0.111 0.000 1.290 215 A CA 0.148 52.244 52.037 0.098 0.000 0.893 215 A CB 0.026 19.098 19.000 0.119 0.000 1.165 215 A HN 1.455 nan 8.150 nan 0.000 0.530 216 T N -0.541 114.073 114.554 0.100 0.000 2.924 216 T HA 0.584 4.934 4.350 -0.000 0.000 0.291 216 T C -0.686 174.092 174.700 0.130 0.000 1.045 216 T CA -0.479 61.685 62.100 0.106 0.000 1.015 216 T CB 1.427 70.335 68.868 0.066 0.000 1.103 216 T HN 0.639 nan 8.240 nan 0.000 0.496 217 H N 1.105 120.210 119.070 0.057 0.000 2.423 217 H HA 0.573 5.129 4.556 -0.000 0.000 0.237 217 H C 0.175 175.492 175.328 -0.019 0.000 1.391 217 H CA -0.585 55.496 56.048 0.055 0.000 1.453 217 H CB -0.017 29.776 29.762 0.052 0.000 1.484 217 H HN 0.673 nan 8.280 nan 0.000 0.505 218 M N 0.996 120.519 119.600 -0.129 0.000 2.312 218 M HA 0.337 4.817 4.480 -0.000 0.000 0.260 218 M C 0.487 176.809 176.300 0.037 0.000 1.253 218 M CA 0.578 55.843 55.300 -0.058 0.000 1.114 218 M CB 1.441 34.039 32.600 -0.003 0.000 1.660 218 M HN 0.574 nan 8.290 nan 0.000 0.581 219 G N 1.106 109.878 108.800 -0.047 0.000 2.697 219 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 219 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 219 G C -1.431 173.212 174.900 -0.428 0.000 1.179 219 G CA -0.873 44.107 45.100 -0.201 0.000 0.765 219 G HN 0.486 nan 8.290 nan 0.000 0.649 220 H N 1.392 120.102 119.070 -0.601 0.000 2.511 220 H HA 0.630 5.185 4.556 -0.000 0.000 0.328 220 H C -1.085 173.838 175.328 -0.674 0.000 1.044 220 H CA -0.434 55.323 56.048 -0.485 0.000 1.212 220 H CB 0.915 30.529 29.762 -0.246 0.000 1.428 220 H HN 0.436 nan 8.280 nan 0.000 0.483 221 Y N 2.745 122.885 120.300 -0.267 0.000 2.328 221 Y HA 0.124 4.674 4.550 -0.000 0.000 0.336 221 Y C 0.145 175.911 175.900 -0.223 0.000 0.960 221 Y CA -1.189 56.841 58.100 -0.117 0.000 1.134 221 Y CB 0.974 39.419 38.460 -0.026 0.000 1.166 221 Y HN 0.566 nan 8.280 nan 0.000 0.464 222 D N 3.043 123.483 120.400 0.067 0.000 2.581 222 D HA -0.070 4.570 4.640 -0.000 0.000 0.238 222 D C 0.866 177.178 176.300 0.021 0.000 1.145 222 D CA 1.172 55.206 54.000 0.056 0.000 0.866 222 D CB 0.141 40.994 40.800 0.088 0.000 1.151 222 D HN 0.671 nan 8.370 nan 0.000 0.500 223 N N 1.878 120.572 118.700 -0.011 0.000 2.741 223 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 223 N C 0.837 176.349 175.510 0.003 0.000 1.112 223 N CA 1.926 54.972 53.050 -0.005 0.000 0.750 223 N CB -1.088 37.403 38.487 0.007 0.000 1.119 223 N HN 0.766 nan 8.380 nan 0.000 0.561 224 G N -0.916 107.886 108.800 0.004 0.000 2.143 224 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 224 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 224 G C -0.281 174.700 174.900 0.134 0.000 0.991 224 G CA 0.434 45.583 45.100 0.081 0.000 0.689 224 G HN 0.625 nan 8.290 nan 0.000 0.522 225 E N 0.493 120.737 120.200 0.074 0.000 1.856 225 E HA 0.286 4.636 4.350 -0.000 0.000 0.263 225 E C 1.189 177.702 176.600 -0.145 0.000 1.137 225 E CA 0.057 56.429 56.400 -0.047 0.000 1.007 225 E CB -0.170 29.503 29.700 -0.045 0.000 1.117 225 E HN 0.878 nan 8.360 nan 0.000 0.438 226 H N 0.934 119.840 119.070 -0.274 0.000 2.551 226 H HA 0.212 4.768 4.556 -0.000 0.000 0.266 226 H C 1.272 176.298 175.328 -0.505 0.000 0.977 226 H CA 0.103 55.687 56.048 -0.774 0.000 1.163 226 H CB 0.260 29.666 29.762 -0.593 0.000 1.381 226 H HN 0.522 nan 8.280 nan 0.000 0.581 227 G N 1.002 109.433 108.800 -0.616 0.000 2.611 227 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.301 227 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.301 227 G C 1.601 176.349 174.900 -0.253 0.000 1.233 227 G CA 1.726 46.603 45.100 -0.371 0.000 0.993 227 G HN 0.892 nan 8.290 nan 0.000 0.553 228 S N 0.484 116.111 115.700 -0.121 0.000 2.522 228 S HA 0.093 4.563 4.470 -0.000 0.000 0.227 228 S C 0.861 175.464 174.600 0.005 0.000 0.986 228 S CA 1.082 59.260 58.200 -0.037 0.000 0.929 228 S CB -0.238 62.956 63.200 -0.010 0.000 0.769 228 S HN 0.752 nan 8.310 nan 0.000 0.529 229 N N 1.664 120.349 118.700 -0.025 0.000 2.467 229 N HA 0.557 5.297 4.740 -0.000 0.000 0.262 229 N C -0.103 175.453 175.510 0.077 0.000 1.234 229 N CA 0.021 53.073 53.050 0.004 0.000 0.952 229 N CB 0.375 38.825 38.487 -0.061 0.000 1.158 229 N HN 0.383 nan 8.380 nan 0.000 0.463 230 A N 1.384 124.221 122.820 0.028 0.000 2.466 230 A HA 0.206 4.526 4.320 -0.000 0.000 0.238 230 A C -2.092 175.372 177.584 -0.200 0.000 1.074 230 A CA -0.783 51.224 52.037 -0.050 0.000 0.774 230 A CB -0.285 18.689 19.000 -0.044 0.000 1.015 230 A HN 0.459 nan 8.150 nan 0.000 0.498 231 P HA 0.212 nan 4.420 nan 0.000 0.267 231 P C 0.576 177.793 177.300 -0.138 0.000 1.200 231 P CA 0.901 63.593 63.100 -0.680 0.000 0.772 231 P CB 0.846 32.234 31.700 -0.521 0.000 0.855 232 G N 1.241 110.065 108.800 0.041 0.000 3.135 232 G HA2 0.108 4.068 3.960 -0.000 0.000 0.159 232 G HA3 0.108 4.068 3.960 -0.000 0.000 0.159 232 G C 0.419 175.328 174.900 0.015 0.000 1.244 232 G CA -0.273 44.885 45.100 0.096 0.000 0.965 232 G HN 0.296 nan 8.290 nan 0.000 0.599 233 D N -0.530 119.861 120.400 -0.014 0.000 2.104 233 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 233 D C 2.753 179.037 176.300 -0.026 0.000 0.994 233 D CA 1.103 55.096 54.000 -0.012 0.000 0.830 233 D CB -0.352 40.454 40.800 0.009 0.000 0.959 233 D HN 0.041 nan 8.370 nan 0.000 0.452 234 V N 1.521 121.388 119.914 -0.078 0.000 2.255 234 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 234 V C 2.374 178.452 176.094 -0.026 0.000 1.051 234 V CA 1.804 64.059 62.300 -0.075 0.000 1.018 234 V CB -0.502 31.231 31.823 -0.149 0.000 0.641 234 V HN 0.203 nan 8.190 nan 0.000 0.445 235 E N -0.584 119.613 120.200 -0.004 0.000 2.110 235 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 235 E C 2.140 178.733 176.600 -0.010 0.000 0.988 235 E CA 1.520 57.919 56.400 -0.001 0.000 0.804 235 E CB -0.212 29.487 29.700 -0.002 0.000 0.745 235 E HN 0.593 nan 8.360 nan 0.000 0.458 236 M N 0.794 120.386 119.600 -0.012 0.000 2.080 236 M HA -0.188 4.292 4.480 -0.000 0.000 0.260 236 M C 2.320 178.617 176.300 -0.004 0.000 1.068 236 M CA 1.881 57.178 55.300 -0.005 0.000 1.109 236 M CB -0.081 32.521 32.600 0.003 0.000 1.342 236 M HN 0.120 nan 8.290 nan 0.000 0.405 237 A N 0.568 123.384 122.820 -0.008 0.000 1.933 237 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 237 A C 2.056 179.627 177.584 -0.021 0.000 1.175 237 A CA 1.798 53.827 52.037 -0.014 0.000 0.628 237 A CB -0.701 18.287 19.000 -0.019 0.000 0.814 237 A HN 0.624 nan 8.150 nan 0.000 0.444 238 R N -0.692 119.796 120.500 -0.020 0.000 2.189 238 R HA 0.039 4.379 4.340 -0.000 0.000 0.223 238 R C 1.810 178.102 176.300 -0.014 0.000 1.092 238 R CA 0.871 56.959 56.100 -0.021 0.000 0.989 238 R CB -0.256 30.034 30.300 -0.016 0.000 0.876 238 R HN 0.474 nan 8.270 nan 0.000 0.457 239 A N 0.441 123.255 122.820 -0.009 0.000 2.307 239 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 239 A C 0.557 178.138 177.584 -0.004 0.000 1.228 239 A CA 0.016 52.050 52.037 -0.005 0.000 0.857 239 A CB 0.219 19.218 19.000 -0.001 0.000 0.897 239 A HN 0.045 nan 8.150 nan 0.000 0.495 240 L N -0.816 120.403 121.223 -0.007 0.000 2.304 240 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 240 L C -2.551 174.312 176.870 -0.012 0.000 1.010 240 L CA -2.654 52.182 54.840 -0.006 0.000 0.813 240 L CB 1.422 43.479 42.059 -0.004 0.000 1.315 240 L HN -0.109 nan 8.230 nan 0.000 0.445 241 P HA -0.004 nan 4.420 nan 0.000 0.264 241 P C -0.697 176.591 177.300 -0.021 0.000 1.183 241 P CA -0.018 63.073 63.100 -0.014 0.000 0.763 241 P CB 0.553 32.246 31.700 -0.012 0.000 0.807 242 A N 4.022 126.826 122.820 -0.026 0.000 2.565 242 A HA 0.349 4.669 4.320 -0.000 0.000 0.237 242 A C 1.635 179.198 177.584 -0.035 0.000 1.053 242 A CA 0.617 52.632 52.037 -0.037 0.000 0.755 242 A CB -1.189 17.787 19.000 -0.039 0.000 0.980 242 A HN 0.906 nan 8.150 nan 0.000 0.506 243 G N 1.653 110.425 108.800 -0.046 0.000 2.269 243 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.277 243 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.277 243 G C 1.054 175.945 174.900 -0.015 0.000 1.008 243 G CA 1.445 46.523 45.100 -0.036 0.000 0.774 243 G HN 2.109 nan 8.290 nan 0.000 0.511 244 S N -1.535 114.156 115.700 -0.015 0.000 2.515 244 S HA 0.395 4.865 4.470 -0.000 0.000 0.231 244 S C 0.805 175.400 174.600 -0.008 0.000 0.987 244 S CA 0.595 58.789 58.200 -0.011 0.000 0.936 244 S CB 0.308 63.501 63.200 -0.012 0.000 0.766 244 S HN 0.554 nan 8.310 nan 0.000 0.528 245 L N 0.389 121.610 121.223 -0.003 0.000 2.385 245 L HA 0.635 4.975 4.340 -0.000 0.000 0.273 245 L C 1.086 177.969 176.870 0.021 0.000 0.990 245 L CA -0.507 54.336 54.840 0.005 0.000 0.821 245 L CB 1.745 43.812 42.059 0.013 0.000 1.279 245 L HN 0.077 nan 8.230 nan 0.000 0.412 246 A N 4.555 127.379 122.820 0.007 0.000 1.877 246 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 246 A C 0.681 178.365 177.584 0.168 0.000 1.186 246 A CA 1.629 53.682 52.037 0.027 0.000 0.620 246 A CB -0.063 18.830 19.000 -0.179 0.000 0.822 246 A HN 0.766 nan 8.150 nan 0.000 0.443 247 M N -3.485 116.183 119.600 0.113 0.000 2.880 247 M HA 0.668 5.148 4.480 -0.000 0.000 0.269 247 M C -1.944 174.403 176.300 0.079 0.000 1.248 247 M CA -0.641 54.763 55.300 0.172 0.000 0.821 247 M CB 1.617 34.375 32.600 0.262 0.000 1.650 247 M HN -0.087 nan 8.290 nan 0.000 0.479 248 I N 1.916 122.525 120.570 0.066 0.000 2.418 248 I HA 0.464 4.634 4.170 -0.000 0.000 0.287 248 I C -1.026 175.080 176.117 -0.019 0.000 1.008 248 I CA -1.133 60.185 61.300 0.031 0.000 1.104 248 I CB 2.216 40.238 38.000 0.037 0.000 1.264 248 I HN 0.448 nan 8.210 nan 0.000 0.438 249 V N 6.338 126.234 119.914 -0.029 0.000 2.320 249 V HA 0.431 4.551 4.120 -0.000 0.000 0.265 249 V C 0.822 176.918 176.094 0.003 0.000 1.048 249 V CA -0.182 62.067 62.300 -0.085 0.000 0.865 249 V CB 0.740 32.533 31.823 -0.049 0.000 1.043 249 V HN 0.912 nan 8.190 nan 0.000 0.474 250 G N 2.995 111.794 108.800 -0.001 0.000 2.568 250 G HA2 0.871 4.831 3.960 -0.000 0.000 0.293 250 G HA3 0.871 4.831 3.960 -0.000 0.000 0.293 250 G C 0.026 174.959 174.900 0.055 0.000 1.347 250 G CA -0.045 45.071 45.100 0.028 0.000 1.039 250 G HN 1.066 nan 8.290 nan 0.000 0.523 251 G N -3.447 105.350 108.800 -0.005 0.000 2.435 251 G HA2 0.497 4.457 3.960 -0.000 0.000 0.296 251 G HA3 0.497 4.457 3.960 -0.000 0.000 0.296 251 G C -0.026 174.779 174.900 -0.159 0.000 1.240 251 G CA 1.029 46.116 45.100 -0.021 0.000 0.872 251 G HN 1.597 nan 8.290 nan 0.000 0.480 252 H N -1.228 117.610 119.070 -0.387 0.000 4.905 252 H HA -0.342 4.214 4.556 -0.000 0.000 0.065 252 H C 2.389 177.682 175.328 -0.058 0.000 0.584 252 H CA 4.062 59.896 56.048 -0.356 0.000 0.984 252 H CB -1.410 27.938 29.762 -0.690 0.000 0.446 252 H HN 1.230 nan 8.280 nan 0.000 0.786 253 S N 1.102 116.704 115.700 -0.162 0.000 2.447 253 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 253 S C 0.861 175.413 174.600 -0.081 0.000 1.006 253 S CA 1.236 59.335 58.200 -0.168 0.000 0.957 253 S CB -0.087 62.993 63.200 -0.201 0.000 0.773 253 S HN 0.743 nan 8.310 nan 0.000 0.507 254 Q N 1.431 121.212 119.800 -0.032 0.000 2.456 254 Q HA -0.106 4.233 4.340 -0.000 0.000 0.325 254 Q C -1.424 174.659 176.000 0.138 0.000 1.453 254 Q CA 0.760 56.584 55.803 0.035 0.000 0.848 254 Q CB -1.689 27.041 28.738 -0.014 0.000 1.123 254 Q HN 0.699 nan 8.270 nan 0.000 0.374 255 D N 0.690 121.133 120.400 0.073 0.000 2.581 255 D HA 0.431 5.071 4.640 -0.000 0.000 0.232 255 D C -2.636 173.592 176.300 -0.120 0.000 1.143 255 D CA -1.471 52.506 54.000 -0.038 0.000 0.881 255 D CB 2.332 43.063 40.800 -0.115 0.000 1.500 255 D HN -0.067 nan 8.370 nan 0.000 0.458 256 P HA 0.158 nan 4.420 nan 0.000 0.293 256 P C -0.296 176.761 177.300 -0.404 0.000 1.313 256 P CA -0.445 62.420 63.100 -0.392 0.000 0.787 256 P CB 1.286 32.627 31.700 -0.599 0.000 0.910 257 V N 5.100 124.794 119.914 -0.368 0.000 2.313 257 V HA 0.110 4.230 4.120 -0.000 0.000 0.252 257 V C 0.249 176.103 176.094 -0.400 0.000 1.112 257 V CA 0.156 62.198 62.300 -0.430 0.000 0.984 257 V CB -0.319 31.201 31.823 -0.506 0.000 1.157 257 V HN 0.650 nan 8.190 nan 0.000 0.493 258 c N 6.625 124.994 118.600 -0.385 0.000 2.344 258 c HA 0.568 5.138 4.570 -0.000 0.000 0.326 258 c C 0.210 174.192 174.090 -0.181 0.000 1.201 258 c CA -1.210 54.929 56.329 -0.317 0.000 1.410 258 c CB 0.870 43.079 42.510 -0.502 0.000 2.070 258 c HN 0.645 nan 8.230 nan 0.000 0.445 259 M N 2.328 121.857 119.600 -0.118 0.000 2.217 259 M HA 0.260 4.740 4.480 -0.000 0.000 0.354 259 M C 1.026 177.313 176.300 -0.022 0.000 1.225 259 M CA -0.310 54.956 55.300 -0.057 0.000 1.137 259 M CB 0.172 32.756 32.600 -0.027 0.000 1.576 259 M HN 0.823 nan 8.290 nan 0.000 0.461 260 A N 2.013 124.828 122.820 -0.009 0.000 2.063 260 A HA 0.633 4.953 4.320 -0.000 0.000 0.211 260 A C 0.839 178.427 177.584 0.006 0.000 1.177 260 A CA 0.993 53.033 52.037 0.004 0.000 0.759 260 A CB 0.230 19.233 19.000 0.005 0.000 0.857 260 A HN 0.882 nan 8.150 nan 0.000 0.468 261 A N -0.976 121.847 122.820 0.005 0.000 2.536 261 A HA 0.547 4.867 4.320 -0.000 0.000 0.293 261 A C -0.812 176.777 177.584 0.009 0.000 1.119 261 A CA -0.344 51.697 52.037 0.007 0.000 0.654 261 A CB 0.048 19.051 19.000 0.006 0.000 1.291 261 A HN 0.177 nan 8.150 nan 0.000 0.439 262 E N 0.369 120.573 120.200 0.006 0.000 2.415 262 E HA 0.162 4.512 4.350 -0.000 0.000 0.260 262 E C -0.074 176.532 176.600 0.011 0.000 1.016 262 E CA 0.865 57.268 56.400 0.005 0.000 0.924 262 E CB -0.309 29.389 29.700 -0.002 0.000 0.961 262 E HN 0.599 nan 8.360 nan 0.000 0.459 263 N N 2.597 121.309 118.700 0.021 0.000 2.708 263 N HA -0.254 4.485 4.740 -0.000 0.000 0.251 263 N C -0.974 174.563 175.510 0.044 0.000 1.123 263 N CA 1.120 54.191 53.050 0.035 0.000 0.739 263 N CB -0.553 37.944 38.487 0.017 0.000 1.113 263 N HN 0.427 nan 8.380 nan 0.000 0.561 264 K N 1.002 121.424 120.400 0.038 0.000 2.613 264 K HA 0.264 4.583 4.320 -0.000 0.000 0.248 264 K C -1.018 175.594 176.600 0.020 0.000 0.959 264 K CA -0.687 55.619 56.287 0.032 0.000 0.855 264 K CB 1.044 33.555 32.500 0.018 0.000 1.143 264 K HN 0.057 nan 8.250 nan 0.000 0.437 265 K N 3.081 123.494 120.400 0.022 0.000 2.270 265 K HA 0.120 4.440 4.320 -0.000 0.000 0.276 265 K C -0.391 176.194 176.600 -0.026 0.000 1.023 265 K CA -0.254 56.017 56.287 -0.027 0.000 0.955 265 K CB 0.820 33.301 32.500 -0.032 0.000 0.975 265 K HN 0.531 nan 8.250 nan 0.000 0.471 266 Q N 1.922 121.700 119.800 -0.035 0.000 2.315 266 Q HA -0.042 4.298 4.340 -0.000 0.000 0.289 266 Q C 1.004 176.999 176.000 -0.009 0.000 1.044 266 Q CA -0.374 55.428 55.803 -0.002 0.000 0.920 266 Q CB 1.094 29.860 28.738 0.047 0.000 1.214 266 Q HN 0.484 nan 8.270 nan 0.000 0.392 267 V N 1.524 121.435 119.914 -0.004 0.000 2.379 267 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 267 V C 0.348 176.433 176.094 -0.017 0.000 1.044 267 V CA 1.614 63.906 62.300 -0.014 0.000 1.036 267 V CB 0.114 31.929 31.823 -0.014 0.000 0.664 267 V HN 0.784 nan 8.190 nan 0.000 0.453 268 D N -0.713 119.684 120.400 -0.005 0.000 2.443 268 D HA 0.187 4.827 4.640 -0.000 0.000 0.281 268 D C -0.880 175.420 176.300 0.000 0.000 1.210 268 D CA -0.454 53.539 54.000 -0.011 0.000 0.875 268 D CB 0.802 41.588 40.800 -0.023 0.000 1.125 268 D HN 0.318 nan 8.370 nan 0.000 0.503 269 Y N 1.378 121.612 120.300 -0.111 0.000 2.712 269 Y HA 0.014 4.564 4.550 -0.000 0.000 0.333 269 Y C -0.385 175.457 175.900 -0.097 0.000 1.225 269 Y CA 0.288 58.318 58.100 -0.116 0.000 1.499 269 Y CB 0.578 38.933 38.460 -0.174 0.000 1.288 269 Y HN -0.003 nan 8.280 nan 0.000 0.575 270 V N 9.780 129.205 119.914 -0.816 0.000 2.364 270 V HA 0.243 4.362 4.120 -0.000 0.000 0.272 270 V C -2.074 173.455 176.094 -0.941 0.000 1.036 270 V CA -2.118 59.793 62.300 -0.648 0.000 0.880 270 V CB 1.015 32.639 31.823 -0.332 0.000 0.991 270 V HN 0.757 nan 8.190 nan 0.000 0.460 271 P HA 0.120 nan 4.420 nan 0.000 0.260 271 P C 0.949 177.980 177.300 -0.448 0.000 1.172 271 P CA 1.661 64.406 63.100 -0.592 0.000 0.760 271 P CB 0.425 31.469 31.700 -1.094 0.000 0.773 272 G N 1.488 110.194 108.800 -0.156 0.000 2.176 272 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.232 272 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.232 272 G C 0.303 175.168 174.900 -0.057 0.000 0.986 272 G CA 0.187 45.254 45.100 -0.056 0.000 0.643 272 G HN 0.762 nan 8.290 nan 0.000 0.522 273 T N -1.225 113.246 114.554 -0.139 0.000 2.944 273 T HA 0.692 5.042 4.350 -0.000 0.000 0.284 273 T C -2.450 172.310 174.700 0.101 0.000 1.010 273 T CA -1.664 60.400 62.100 -0.061 0.000 1.025 273 T CB 2.240 71.014 68.868 -0.158 0.000 1.079 273 T HN 0.016 nan 8.240 nan 0.000 0.516 274 P HA 0.242 nan 4.420 nan 0.000 0.264 274 P C -0.841 176.554 177.300 0.159 0.000 1.183 274 P CA -0.337 62.818 63.100 0.090 0.000 0.763 274 P CB 0.192 31.922 31.700 0.051 0.000 0.807 275 c N 5.100 123.759 118.600 0.097 0.000 2.346 275 c HA 0.438 5.008 4.570 -0.000 0.000 0.326 275 c C -0.305 173.807 174.090 0.036 0.000 1.224 275 c CA -0.722 55.620 56.329 0.020 0.000 1.408 275 c CB -0.342 42.106 42.510 -0.102 0.000 2.089 275 c HN 0.562 nan 8.230 nan 0.000 0.456 276 K N 8.263 128.644 120.400 -0.032 0.000 2.263 276 K HA 0.511 4.831 4.320 -0.000 0.000 0.272 276 K C -2.286 174.229 176.600 -0.142 0.000 1.033 276 K CA -1.335 54.920 56.287 -0.053 0.000 0.884 276 K CB 1.424 33.921 32.500 -0.006 0.000 1.107 276 K HN 0.581 nan 8.250 nan 0.000 0.460 277 P HA 0.024 nan 4.420 nan 0.000 0.274 277 P C -0.762 176.525 177.300 -0.022 0.000 1.246 277 P CA -0.296 62.598 63.100 -0.342 0.000 0.795 277 P CB 0.782 32.030 31.700 -0.754 0.000 1.006 278 D N -0.114 120.270 120.400 -0.027 0.000 2.329 278 D HA 0.180 4.820 4.640 -0.000 0.000 0.246 278 D C -0.638 175.737 176.300 0.125 0.000 1.111 278 D CA 0.103 54.138 54.000 0.059 0.000 0.941 278 D CB 0.603 41.453 40.800 0.083 0.000 1.169 278 D HN 0.273 nan 8.370 nan 0.000 0.441 279 Q N 1.509 121.288 119.800 -0.035 0.000 2.271 279 Q HA 0.293 4.633 4.340 -0.000 0.000 0.268 279 Q C -1.665 174.213 176.000 -0.203 0.000 1.021 279 Q CA -0.803 54.832 55.803 -0.280 0.000 0.802 279 Q CB 1.255 29.500 28.738 -0.821 0.000 1.282 279 Q HN 0.326 nan 8.270 nan 0.000 0.431 280 Q N 2.807 122.505 119.800 -0.170 0.000 2.292 280 Q HA 0.243 4.583 4.340 -0.000 0.000 0.270 280 Q C -0.803 175.122 176.000 -0.124 0.000 1.024 280 Q CA -0.491 55.243 55.803 -0.114 0.000 0.768 280 Q CB 1.723 30.427 28.738 -0.057 0.000 1.250 280 Q HN 0.889 nan 8.270 nan 0.000 0.447 281 N N 1.447 120.077 118.700 -0.117 0.000 2.740 281 N HA -0.247 4.492 4.740 -0.000 0.000 0.248 281 N C 0.584 176.017 175.510 -0.128 0.000 1.062 281 N CA 1.928 54.918 53.050 -0.100 0.000 0.704 281 N CB -1.014 37.434 38.487 -0.066 0.000 0.968 281 N HN 1.081 nan 8.380 nan 0.000 0.547 282 G N -1.411 107.269 108.800 -0.199 0.000 2.162 282 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 282 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 282 G C 0.169 174.905 174.900 -0.274 0.000 0.976 282 G CA 0.514 45.468 45.100 -0.243 0.000 0.655 282 G HN 0.583 nan 8.290 nan 0.000 0.533 283 I N 0.032 120.459 120.570 -0.237 0.000 2.355 283 I HA 0.387 4.557 4.170 -0.000 0.000 0.288 283 I C 0.360 176.391 176.117 -0.143 0.000 0.999 283 I CA -1.088 60.128 61.300 -0.140 0.000 1.163 283 I CB 0.753 38.724 38.000 -0.049 0.000 1.316 283 I HN 0.119 nan 8.210 nan 0.000 0.454 284 W N 7.000 128.307 121.300 0.011 0.000 2.210 284 W HA 0.360 5.020 4.660 -0.000 0.000 0.330 284 W C -0.098 176.387 176.519 -0.057 0.000 1.334 284 W CA -0.169 57.158 57.345 -0.030 0.000 1.227 284 W CB 0.451 29.908 29.460 -0.006 0.000 1.178 284 W HN 0.243 nan 8.180 nan 0.000 0.560 285 I N 5.145 125.822 120.570 0.179 0.000 2.410 285 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 285 I C -0.192 175.884 176.117 -0.068 0.000 1.009 285 I CA -1.138 60.199 61.300 0.063 0.000 1.111 285 I CB 0.741 38.810 38.000 0.115 0.000 1.262 285 I HN 0.152 nan 8.210 nan 0.000 0.443 286 V N 2.940 122.769 119.914 -0.141 0.000 3.046 286 V HA 0.753 4.873 4.120 -0.000 0.000 0.316 286 V C -0.910 175.113 176.094 -0.117 0.000 1.104 286 V CA -0.501 61.659 62.300 -0.233 0.000 1.006 286 V CB 2.024 33.618 31.823 -0.381 0.000 1.058 286 V HN 0.894 nan 8.190 nan 0.000 0.440 287 Q N 1.181 120.990 119.800 0.015 0.000 2.438 287 Q HA 0.693 5.033 4.340 -0.000 0.000 0.272 287 Q C -1.012 175.076 176.000 0.147 0.000 0.994 287 Q CA -0.126 55.737 55.803 0.100 0.000 0.887 287 Q CB 2.174 30.900 28.738 -0.020 0.000 1.432 287 Q HN 1.383 nan 8.270 nan 0.000 0.392 288 A N 2.839 125.763 122.820 0.173 0.000 2.827 288 A HA 0.345 4.665 4.320 -0.000 0.000 0.300 288 A C 0.163 177.849 177.584 0.170 0.000 1.237 288 A CA 0.657 52.729 52.037 0.058 0.000 0.964 288 A CB -0.327 18.631 19.000 -0.071 0.000 1.143 288 A HN 0.994 nan 8.150 nan 0.000 0.554 289 H N 0.877 119.935 119.070 -0.021 0.000 1.475 289 H HA -0.262 4.294 4.556 -0.000 0.000 0.090 289 H C 0.138 175.437 175.328 -0.049 0.000 0.616 289 H CA 2.589 58.624 56.048 -0.023 0.000 1.899 289 H CB -1.067 28.753 29.762 0.095 0.000 2.253 289 H HN 0.822 nan 8.280 nan 0.000 0.961 290 E N -1.927 118.107 120.200 -0.277 0.000 2.417 290 E HA 0.311 4.661 4.350 -0.000 0.000 0.280 290 E C -0.738 175.662 176.600 -0.332 0.000 1.112 290 E CA -0.118 56.053 56.400 -0.382 0.000 0.863 290 E CB 0.556 29.749 29.700 -0.845 0.000 1.346 290 E HN 0.405 nan 8.360 nan 0.000 0.443 291 W N 0.198 121.276 121.300 -0.370 0.000 3.962 291 W HA -0.213 4.447 4.660 -0.000 0.000 0.305 291 W C 1.120 177.303 176.519 -0.560 0.000 1.121 291 W CA 2.275 59.234 57.345 -0.642 0.000 0.707 291 W CB -2.305 26.410 29.460 -1.242 0.000 2.160 291 W HN 1.664 nan 8.180 nan 0.000 1.520 292 G N -1.112 107.668 108.800 -0.032 0.000 2.147 292 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.244 292 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.244 292 G C 1.255 176.135 174.900 -0.034 0.000 1.005 292 G CA 0.648 45.770 45.100 0.037 0.000 0.713 292 G HN 0.423 nan 8.290 nan 0.000 0.515 293 K N -1.505 118.800 120.400 -0.159 0.000 2.217 293 K HA 0.166 4.486 4.320 -0.000 0.000 0.202 293 K C 0.310 176.692 176.600 -0.363 0.000 1.051 293 K CA 0.962 57.109 56.287 -0.233 0.000 0.952 293 K CB 0.158 32.450 32.500 -0.347 0.000 0.736 293 K HN 0.570 nan 8.250 nan 0.000 0.453 294 Y N -1.344 118.961 120.300 0.008 0.000 2.562 294 Y HA 0.345 4.895 4.550 -0.000 0.000 0.345 294 Y C -0.738 175.117 175.900 -0.076 0.000 1.045 294 Y CA -1.291 56.794 58.100 -0.024 0.000 1.028 294 Y CB 1.821 40.261 38.460 -0.034 0.000 1.297 294 Y HN -0.447 nan 8.280 nan 0.000 0.463 295 V N 2.066 122.020 119.914 0.067 0.000 2.376 295 V HA 0.628 4.747 4.120 -0.000 0.000 0.287 295 V C 0.203 176.170 176.094 -0.211 0.000 1.015 295 V CA -0.781 61.467 62.300 -0.087 0.000 0.834 295 V CB 1.326 33.109 31.823 -0.066 0.000 1.001 295 V HN 0.940 nan 8.190 nan 0.000 0.428 296 G N 3.843 112.355 108.800 -0.480 0.000 2.415 296 G HA2 0.568 4.528 3.960 -0.000 0.000 0.269 296 G HA3 0.568 4.528 3.960 -0.000 0.000 0.269 296 G C -0.386 174.311 174.900 -0.338 0.000 1.209 296 G CA -0.457 44.308 45.100 -0.557 0.000 0.835 296 G HN 0.665 nan 8.290 nan 0.000 0.534 297 R N 1.318 121.568 120.500 -0.417 0.000 2.483 297 R HA 0.573 4.913 4.340 -0.000 0.000 0.303 297 R C -0.871 175.270 176.300 -0.264 0.000 0.987 297 R CA -0.624 55.332 56.100 -0.240 0.000 0.881 297 R CB 1.344 31.506 30.300 -0.231 0.000 1.177 297 R HN 0.599 nan 8.270 nan 0.000 0.451 298 A N 4.345 127.158 122.820 -0.012 0.000 2.287 298 A HA 0.390 4.710 4.320 -0.000 0.000 0.317 298 A C -1.128 176.361 177.584 -0.159 0.000 1.220 298 A CA -0.798 51.207 52.037 -0.052 0.000 0.835 298 A CB 0.938 19.955 19.000 0.027 0.000 1.180 298 A HN 0.731 nan 8.150 nan 0.000 0.500 299 D N 1.956 122.189 120.400 -0.279 0.000 2.193 299 D HA 0.608 5.248 4.640 -0.000 0.000 0.244 299 D C -0.844 175.281 176.300 -0.293 0.000 1.064 299 D CA 0.580 54.481 54.000 -0.164 0.000 0.845 299 D CB 1.234 41.967 40.800 -0.112 0.000 1.148 299 D HN 0.348 nan 8.370 nan 0.000 0.464 300 F N 0.282 120.231 119.950 -0.001 0.000 2.631 300 F HA 0.378 4.905 4.527 -0.000 0.000 0.328 300 F C 0.531 176.369 175.800 0.064 0.000 1.067 300 F CA -0.862 57.154 58.000 0.028 0.000 0.969 300 F CB 1.936 40.966 39.000 0.051 0.000 1.332 300 F HN 0.017 nan 8.300 nan 0.000 0.490 301 E N 1.043 121.440 120.200 0.329 0.000 2.263 301 E HA 0.303 4.653 4.350 -0.000 0.000 0.268 301 E C -1.851 174.911 176.600 0.270 0.000 0.884 301 E CA -0.697 55.851 56.400 0.246 0.000 0.766 301 E CB 2.923 32.712 29.700 0.149 0.000 1.196 301 E HN 0.404 nan 8.360 nan 0.000 0.416 302 F N 2.863 122.878 119.950 0.108 0.000 2.458 302 F HA 0.614 5.141 4.527 -0.000 0.000 0.336 302 F C -0.671 175.165 175.800 0.059 0.000 1.114 302 F CA -0.648 57.365 58.000 0.022 0.000 0.987 302 F CB 1.072 40.019 39.000 -0.088 0.000 1.130 302 F HN 0.307 nan 8.300 nan 0.000 0.458 303 R N 4.743 124.916 120.500 -0.546 0.000 2.518 303 R HA 0.322 4.662 4.340 -0.000 0.000 0.287 303 R C -1.069 174.849 176.300 -0.637 0.000 1.135 303 R CA -0.524 55.367 56.100 -0.348 0.000 0.967 303 R CB 0.298 30.506 30.300 -0.153 0.000 1.212 303 R HN 0.714 nan 8.270 nan 0.000 0.422 304 N N 3.403 121.718 118.700 -0.642 0.000 2.705 304 N HA -0.228 4.512 4.740 -0.000 0.000 0.255 304 N C 0.688 175.842 175.510 -0.592 0.000 1.008 304 N CA 1.966 54.713 53.050 -0.506 0.000 0.742 304 N CB -1.071 37.344 38.487 -0.119 0.000 0.906 304 N HN 1.119 nan 8.380 nan 0.000 0.541 305 G N -0.654 107.468 108.800 -1.129 0.000 2.363 305 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.238 305 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.238 305 G C -0.128 174.395 174.900 -0.628 0.000 1.062 305 G CA 0.529 45.283 45.100 -0.577 0.000 0.629 305 G HN 0.691 nan 8.290 nan 0.000 0.514 306 E N 0.774 120.579 120.200 -0.659 0.000 2.299 306 E HA 0.473 4.823 4.350 -0.000 0.000 0.272 306 E C -0.103 176.295 176.600 -0.336 0.000 1.043 306 E CA -0.488 55.692 56.400 -0.368 0.000 0.895 306 E CB 0.245 29.800 29.700 -0.243 0.000 1.011 306 E HN 0.269 nan 8.360 nan 0.000 0.432 307 M N 5.629 125.201 119.600 -0.047 0.000 2.101 307 M HA 0.274 4.754 4.480 -0.000 0.000 0.340 307 M C -1.351 175.094 176.300 0.242 0.000 1.057 307 M CA -0.247 55.136 55.300 0.138 0.000 0.984 307 M CB 0.850 33.526 32.600 0.127 0.000 1.560 307 M HN 0.343 nan 8.290 nan 0.000 0.435 308 K N 5.308 125.912 120.400 0.340 0.000 2.507 308 K HA 0.433 4.753 4.320 -0.000 0.000 0.252 308 K C -1.276 175.555 176.600 0.385 0.000 0.943 308 K CA -0.514 55.990 56.287 0.361 0.000 0.808 308 K CB 1.622 34.232 32.500 0.184 0.000 1.142 308 K HN 0.899 nan 8.250 nan 0.000 0.426 309 M N 5.661 125.407 119.600 0.243 0.000 2.217 309 M HA 0.056 4.536 4.480 -0.000 0.000 0.352 309 M C 0.394 176.559 176.300 -0.225 0.000 1.376 309 M CA 0.016 55.059 55.300 -0.429 0.000 1.107 309 M CB 0.906 32.918 32.600 -0.979 0.000 1.723 309 M HN 0.612 nan 8.290 nan 0.000 0.461 310 V N 1.576 121.349 119.914 -0.235 0.000 3.528 310 V HA 0.479 4.599 4.120 -0.000 0.000 0.294 310 V C -0.263 175.738 176.094 -0.155 0.000 1.404 310 V CA 0.149 62.376 62.300 -0.122 0.000 1.065 310 V CB -0.571 31.224 31.823 -0.046 0.000 0.904 310 V HN 0.968 nan 8.190 nan 0.000 0.435 311 N N -0.712 117.839 118.700 -0.249 0.000 3.049 311 N HA 0.429 5.169 4.740 -0.000 0.000 0.244 311 N C -2.063 173.326 175.510 -0.201 0.000 1.203 311 N CA -0.452 52.483 53.050 -0.192 0.000 0.945 311 N CB 1.881 40.287 38.487 -0.136 0.000 1.616 311 N HN 0.267 nan 8.380 nan 0.000 0.505 312 Y N 1.333 121.462 120.300 -0.285 0.000 2.479 312 Y HA 0.535 5.085 4.550 -0.000 0.000 0.338 312 Y C -1.467 174.326 175.900 -0.179 0.000 1.055 312 Y CA -0.179 57.755 58.100 -0.275 0.000 1.023 312 Y CB 1.659 39.907 38.460 -0.354 0.000 1.287 312 Y HN 0.593 nan 8.280 nan 0.000 0.447 313 Q N 4.295 123.563 119.800 -0.886 0.000 2.456 313 Q HA 0.585 4.925 4.340 -0.000 0.000 0.284 313 Q C -2.177 173.364 176.000 -0.765 0.000 1.061 313 Q CA -1.340 54.120 55.803 -0.572 0.000 0.799 313 Q CB 3.391 31.937 28.738 -0.320 0.000 1.445 313 Q HN 0.629 nan 8.270 nan 0.000 0.411 314 L N 2.291 123.280 121.223 -0.389 0.000 2.342 314 L HA 0.519 4.859 4.340 -0.000 0.000 0.276 314 L C -1.536 175.304 176.870 -0.050 0.000 0.997 314 L CA -0.157 54.496 54.840 -0.311 0.000 0.838 314 L CB 1.322 43.144 42.059 -0.396 0.000 1.224 314 L HN 0.562 nan 8.230 nan 0.000 0.416 315 I N 7.230 127.799 120.570 -0.002 0.000 2.304 315 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 315 I C -2.040 174.186 176.117 0.183 0.000 1.018 315 I CA -1.798 59.542 61.300 0.068 0.000 1.260 315 I CB 1.179 39.168 38.000 -0.018 0.000 1.390 315 I HN 0.438 nan 8.210 nan 0.000 0.475 316 P HA 0.043 nan 4.420 nan 0.000 0.269 316 P C -0.654 176.628 177.300 -0.030 0.000 1.209 316 P CA -0.135 62.949 63.100 -0.026 0.000 0.776 316 P CB 0.739 32.412 31.700 -0.044 0.000 0.876 317 V N 4.216 124.091 119.914 -0.065 0.000 2.239 317 V HA 0.171 4.290 4.120 -0.000 0.000 0.267 317 V C 0.177 176.281 176.094 0.016 0.000 1.056 317 V CA -0.463 61.841 62.300 0.007 0.000 0.830 317 V CB -0.524 31.333 31.823 0.056 0.000 1.090 317 V HN 0.662 nan 8.190 nan 0.000 0.459 318 N N 2.604 121.307 118.700 0.005 0.000 2.727 318 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 318 N C -0.302 175.216 175.510 0.013 0.000 1.048 318 N CA 0.728 53.778 53.050 0.001 0.000 0.714 318 N CB -0.725 37.744 38.487 -0.031 0.000 0.959 318 N HN 0.601 nan 8.380 nan 0.000 0.544 319 L N -0.038 121.213 121.223 0.046 0.000 2.349 319 L HA 0.280 4.620 4.340 -0.000 0.000 0.275 319 L C 0.892 177.897 176.870 0.225 0.000 1.115 319 L CA 0.011 54.911 54.840 0.100 0.000 0.820 319 L CB 0.859 42.917 42.059 -0.002 0.000 1.135 319 L HN -0.060 nan 8.230 nan 0.000 0.445 320 K N 2.936 123.429 120.400 0.154 0.000 2.318 320 K HA 0.444 4.764 4.320 -0.000 0.000 0.249 320 K C -1.005 175.551 176.600 -0.074 0.000 0.942 320 K CA -0.955 55.329 56.287 -0.005 0.000 0.808 320 K CB 2.488 34.944 32.500 -0.074 0.000 1.189 320 K HN 0.465 nan 8.250 nan 0.000 0.428 321 K N 1.531 121.683 120.400 -0.413 0.000 2.206 321 K HA 0.292 4.612 4.320 -0.000 0.000 0.264 321 K C -0.753 175.656 176.600 -0.319 0.000 0.967 321 K CA -0.933 55.113 56.287 -0.402 0.000 0.844 321 K CB 1.932 33.990 32.500 -0.736 0.000 1.099 321 K HN 0.322 nan 8.250 nan 0.000 0.441 322 K N 3.368 123.615 120.400 -0.255 0.000 2.338 322 K HA 0.106 4.426 4.320 -0.000 0.000 0.290 322 K C -1.060 175.365 176.600 -0.292 0.000 1.069 322 K CA -0.495 55.636 56.287 -0.261 0.000 0.941 322 K CB 0.712 33.073 32.500 -0.232 0.000 1.023 322 K HN 0.497 nan 8.250 nan 0.000 0.477 323 V N 4.375 124.075 119.914 -0.358 0.000 2.370 323 V HA 0.199 4.319 4.120 -0.000 0.000 0.279 323 V C -0.226 175.487 176.094 -0.634 0.000 1.029 323 V CA -0.611 61.358 62.300 -0.551 0.000 0.870 323 V CB 1.663 33.037 31.823 -0.748 0.000 0.984 323 V HN 0.775 nan 8.190 nan 0.000 0.451 324 T N 4.728 118.949 114.554 -0.554 0.000 2.772 324 T HA 0.391 4.741 4.350 -0.000 0.000 0.288 324 T C -0.380 174.069 174.700 -0.418 0.000 0.994 324 T CA -0.281 61.584 62.100 -0.390 0.000 0.951 324 T CB 0.447 69.205 68.868 -0.184 0.000 0.933 324 T HN 0.560 nan 8.240 nan 0.000 0.447 325 W N 1.549 122.828 121.300 -0.036 0.000 2.129 325 W HA 0.258 4.918 4.660 -0.000 0.000 0.349 325 W C 1.855 178.360 176.519 -0.024 0.000 1.279 325 W CA -0.670 56.656 57.345 -0.031 0.000 1.306 325 W CB 0.493 29.935 29.460 -0.029 0.000 1.140 325 W HN 0.591 nan 8.180 nan 0.000 0.613 326 E N 1.397 121.758 120.200 0.268 0.000 2.171 326 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 326 E C 1.198 177.862 176.600 0.106 0.000 0.997 326 E CA 1.870 58.350 56.400 0.134 0.000 0.810 326 E CB -0.270 29.498 29.700 0.114 0.000 0.738 326 E HN 0.614 nan 8.360 nan 0.000 0.467 327 D N -1.676 118.803 120.400 0.132 0.000 2.324 327 D HA 0.092 4.732 4.640 -0.000 0.000 0.235 327 D C 1.265 177.619 176.300 0.091 0.000 1.095 327 D CA 0.861 54.913 54.000 0.087 0.000 0.871 327 D CB -0.068 40.770 40.800 0.063 0.000 0.906 327 D HN 0.254 nan 8.370 nan 0.000 0.522 328 G N 0.390 109.251 108.800 0.102 0.000 2.253 328 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.251 328 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.251 328 G C 0.316 175.271 174.900 0.092 0.000 0.998 328 G CA 0.146 45.290 45.100 0.072 0.000 0.621 328 G HN 0.653 nan 8.290 nan 0.000 0.524 329 K N 1.581 122.084 120.400 0.173 0.000 2.451 329 K HA 0.425 4.745 4.320 -0.000 0.000 0.280 329 K C 0.448 177.173 176.600 0.209 0.000 1.020 329 K CA 0.644 57.071 56.287 0.235 0.000 1.008 329 K CB 0.150 32.865 32.500 0.359 0.000 0.917 329 K HN 0.588 nan 8.250 nan 0.000 0.478 330 S N 2.988 118.741 115.700 0.089 0.000 2.513 330 S HA 0.481 4.951 4.470 -0.000 0.000 0.299 330 S C -0.895 173.698 174.600 -0.012 0.000 1.087 330 S CA -0.968 57.198 58.200 -0.057 0.000 1.012 330 S CB 2.009 65.153 63.200 -0.094 0.000 1.044 330 S HN 0.735 nan 8.310 nan 0.000 0.485 331 E N 0.754 120.903 120.200 -0.085 0.000 2.431 331 E HA 0.546 4.896 4.350 -0.000 0.000 0.268 331 E C -1.067 175.456 176.600 -0.128 0.000 0.953 331 E CA -1.186 55.199 56.400 -0.026 0.000 0.810 331 E CB 1.671 31.431 29.700 0.100 0.000 1.369 331 E HN 0.567 nan 8.360 nan 0.000 0.440 332 R N 1.044 121.481 120.500 -0.106 0.000 2.451 332 R HA 0.398 4.737 4.340 -0.000 0.000 0.307 332 R C -1.067 175.158 176.300 -0.125 0.000 0.965 332 R CA -0.575 55.426 56.100 -0.165 0.000 0.865 332 R CB 1.683 31.866 30.300 -0.196 0.000 1.174 332 R HN 0.329 nan 8.270 nan 0.000 0.455 333 V N 1.022 120.828 119.914 -0.180 0.000 2.680 333 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 333 V C 0.147 176.120 176.094 -0.202 0.000 1.052 333 V CA -1.220 60.991 62.300 -0.148 0.000 0.908 333 V CB 1.715 33.466 31.823 -0.120 0.000 1.001 333 V HN 0.596 nan 8.190 nan 0.000 0.431 334 L N 3.555 124.717 121.223 -0.101 0.000 2.490 334 L HA 0.149 4.489 4.340 -0.000 0.000 0.274 334 L C 0.815 177.662 176.870 -0.038 0.000 1.201 334 L CA 0.213 55.029 54.840 -0.039 0.000 0.869 334 L CB 0.158 42.219 42.059 0.003 0.000 1.123 334 L HN 0.794 nan 8.230 nan 0.000 0.484 335 Y N 0.435 120.712 120.300 -0.038 0.000 2.457 335 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 335 Y C 1.449 177.334 175.900 -0.024 0.000 1.125 335 Y CA 0.439 58.517 58.100 -0.037 0.000 1.254 335 Y CB 0.168 38.602 38.460 -0.043 0.000 1.012 335 Y HN 0.698 nan 8.280 nan 0.000 0.555 336 T N -4.283 110.358 114.554 0.144 0.000 2.841 336 T HA 0.470 4.820 4.350 -0.000 0.000 0.296 336 T C -2.988 171.738 174.700 0.042 0.000 1.166 336 T CA -2.516 59.629 62.100 0.075 0.000 1.007 336 T CB 1.752 70.657 68.868 0.061 0.000 1.253 336 T HN -0.418 nan 8.240 nan 0.000 0.511 337 P HA 0.141 nan 4.420 nan 0.000 0.264 337 P C -0.102 177.204 177.300 0.009 0.000 1.183 337 P CA 0.003 63.111 63.100 0.012 0.000 0.763 337 P CB 0.299 32.003 31.700 0.007 0.000 0.807 338 E N 2.811 123.012 120.200 0.003 0.000 2.418 338 E HA 0.090 4.439 4.350 -0.000 0.000 0.261 338 E C -0.599 175.996 176.600 -0.007 0.000 1.070 338 E CA -0.083 56.315 56.400 -0.004 0.000 0.931 338 E CB 0.304 29.998 29.700 -0.009 0.000 0.954 338 E HN 0.314 nan 8.360 nan 0.000 0.439 339 I N 2.841 123.404 120.570 -0.012 0.000 2.433 339 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 339 I C 0.001 176.104 176.117 -0.024 0.000 1.001 339 I CA -0.878 60.413 61.300 -0.015 0.000 1.119 339 I CB 1.758 39.751 38.000 -0.011 0.000 1.289 339 I HN 0.554 nan 8.210 nan 0.000 0.438 340 A N 5.630 128.436 122.820 -0.022 0.000 2.371 340 A HA 0.333 4.653 4.320 -0.000 0.000 0.257 340 A C -0.048 177.516 177.584 -0.035 0.000 1.089 340 A CA -0.363 51.657 52.037 -0.028 0.000 0.794 340 A CB 0.222 19.211 19.000 -0.019 0.000 1.029 340 A HN 0.747 nan 8.150 nan 0.000 0.488 341 E N 1.777 121.948 120.200 -0.050 0.000 2.259 341 E HA 0.029 4.379 4.350 -0.000 0.000 0.281 341 E C -0.214 176.367 176.600 -0.032 0.000 1.037 341 E CA -0.471 55.893 56.400 -0.060 0.000 0.854 341 E CB 0.719 30.352 29.700 -0.113 0.000 1.051 341 E HN 0.670 nan 8.360 nan 0.000 0.409 342 N N 3.369 122.059 118.700 -0.017 0.000 2.434 342 N HA -0.104 4.636 4.740 -0.000 0.000 0.268 342 N C 0.699 176.216 175.510 0.013 0.000 1.256 342 N CA 0.080 53.131 53.050 0.003 0.000 0.914 342 N CB 0.739 39.234 38.487 0.013 0.000 1.088 342 N HN 0.462 nan 8.380 nan 0.000 0.478 343 Q N 2.665 122.476 119.800 0.018 0.000 2.124 343 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 343 Q C 1.560 177.590 176.000 0.050 0.000 0.977 343 Q CA 1.347 57.170 55.803 0.032 0.000 0.850 343 Q CB -0.172 28.583 28.738 0.028 0.000 0.901 343 Q HN 0.765 nan 8.270 nan 0.000 0.429 344 Q N -0.227 119.600 119.800 0.046 0.000 2.124 344 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 344 Q C 1.979 178.024 176.000 0.075 0.000 0.977 344 Q CA 1.429 57.265 55.803 0.056 0.000 0.850 344 Q CB 0.021 28.788 28.738 0.047 0.000 0.901 344 Q HN 0.235 nan 8.270 nan 0.000 0.429 345 M N 0.119 119.763 119.600 0.073 0.000 2.156 345 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 345 M C 1.628 178.015 176.300 0.143 0.000 1.067 345 M CA 1.210 56.568 55.300 0.097 0.000 1.131 345 M CB -0.164 32.482 32.600 0.077 0.000 1.368 345 M HN 0.252 nan 8.290 nan 0.000 0.416 346 I N -0.347 120.297 120.570 0.123 0.000 2.163 346 I HA -0.259 3.911 4.170 -0.000 0.000 0.243 346 I C 2.194 178.452 176.117 0.235 0.000 1.085 346 I CA 1.353 62.769 61.300 0.193 0.000 1.347 346 I CB -1.728 36.344 38.000 0.120 0.000 1.044 346 I HN 0.282 nan 8.210 nan 0.000 0.408 347 S N 0.918 116.710 115.700 0.152 0.000 2.400 347 S HA -0.168 4.302 4.470 -0.000 0.000 0.232 347 S C 1.937 176.619 174.600 0.136 0.000 1.025 347 S CA 1.082 59.357 58.200 0.125 0.000 0.993 347 S CB -0.410 62.841 63.200 0.084 0.000 0.808 347 S HN 0.369 nan 8.310 nan 0.000 0.478 348 L N 1.149 122.467 121.223 0.158 0.000 2.109 348 L HA 0.167 4.507 4.340 -0.000 0.000 0.207 348 L C 1.725 178.768 176.870 0.288 0.000 1.086 348 L CA 1.590 56.539 54.840 0.183 0.000 0.760 348 L CB -0.332 41.816 42.059 0.148 0.000 0.910 348 L HN 0.259 nan 8.230 nan 0.000 0.437 349 L N -1.927 119.485 121.223 0.315 0.000 2.354 349 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 349 L C 2.350 179.426 176.870 0.343 0.000 1.091 349 L CA 0.445 55.524 54.840 0.398 0.000 0.828 349 L CB -0.525 41.846 42.059 0.520 0.000 0.973 349 L HN 0.098 nan 8.230 nan 0.000 0.461 350 S N 0.935 116.809 115.700 0.289 0.000 2.368 350 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 350 S C -0.384 174.194 174.600 -0.038 0.000 1.044 350 S CA 1.890 60.134 58.200 0.073 0.000 1.062 350 S CB -1.254 62.021 63.200 0.125 0.000 0.931 350 S HN 0.248 nan 8.310 nan 0.000 0.440 351 P HA -0.128 nan 4.420 nan 0.000 0.216 351 P C 1.023 178.189 177.300 -0.222 0.000 1.157 351 P CA 1.248 64.236 63.100 -0.187 0.000 0.880 351 P CB -0.125 31.390 31.700 -0.310 0.000 0.791 352 F N -1.111 118.752 119.950 -0.145 0.000 2.171 352 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 352 F C 2.639 178.361 175.800 -0.131 0.000 1.090 352 F CA 1.291 59.177 58.000 -0.189 0.000 1.293 352 F CB -1.122 37.662 39.000 -0.359 0.000 1.013 352 F HN -0.092 nan 8.300 nan 0.000 0.486 353 Q N 0.923 120.745 119.800 0.037 0.000 2.084 353 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 353 Q C 1.487 177.369 176.000 -0.198 0.000 0.978 353 Q CA 2.068 57.764 55.803 -0.179 0.000 0.844 353 Q CB -0.614 27.629 28.738 -0.826 0.000 0.898 353 Q HN 0.520 nan 8.270 nan 0.000 0.426 354 N N -0.669 117.930 118.700 -0.168 0.000 2.207 354 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 354 N C 1.535 176.989 175.510 -0.093 0.000 1.020 354 N CA 0.778 53.749 53.050 -0.132 0.000 0.858 354 N CB -0.111 38.307 38.487 -0.115 0.000 0.991 354 N HN 0.159 nan 8.380 nan 0.000 0.427 355 K N 1.247 121.594 120.400 -0.089 0.000 2.057 355 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 355 K C 2.121 178.706 176.600 -0.025 0.000 1.049 355 K CA 1.497 57.743 56.287 -0.068 0.000 0.931 355 K CB -0.231 32.210 32.500 -0.099 0.000 0.714 355 K HN 0.146 nan 8.250 nan 0.000 0.440 356 G N 1.380 110.183 108.800 0.005 0.000 2.421 356 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 356 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 356 G C 1.507 176.394 174.900 -0.022 0.000 1.171 356 G CA 1.103 46.219 45.100 0.026 0.000 0.775 356 G HN 0.256 nan 8.290 nan 0.000 0.543 357 K N 1.197 121.559 120.400 -0.064 0.000 2.074 357 K HA -0.003 4.316 4.320 -0.000 0.000 0.209 357 K C 2.574 179.139 176.600 -0.058 0.000 1.048 357 K CA 1.735 57.969 56.287 -0.089 0.000 0.926 357 K CB -0.664 31.765 32.500 -0.118 0.000 0.713 357 K HN 0.216 nan 8.250 nan 0.000 0.444 358 A N 0.152 122.945 122.820 -0.045 0.000 2.014 358 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 358 A C 1.871 179.451 177.584 -0.007 0.000 1.163 358 A CA 1.224 53.243 52.037 -0.029 0.000 0.652 358 A CB -0.350 18.630 19.000 -0.033 0.000 0.808 358 A HN 0.503 nan 8.150 nan 0.000 0.449 359 Q N -0.394 119.410 119.800 0.007 0.000 2.436 359 Q HA 0.088 4.428 4.340 -0.000 0.000 0.209 359 Q C 1.589 177.629 176.000 0.067 0.000 0.965 359 Q CA 0.495 56.321 55.803 0.037 0.000 0.910 359 Q CB -0.201 28.570 28.738 0.054 0.000 0.980 359 Q HN 0.662 nan 8.270 nan 0.000 0.491 360 L N 0.040 121.288 121.223 0.042 0.000 2.217 360 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 360 L C 2.009 178.919 176.870 0.065 0.000 1.107 360 L CA 0.631 55.508 54.840 0.062 0.000 0.783 360 L CB -0.060 41.967 42.059 -0.053 0.000 0.919 360 L HN 0.132 nan 8.230 nan 0.000 0.442 361 E N -0.066 120.151 120.200 0.028 0.000 2.338 361 E HA -0.051 4.299 4.350 -0.000 0.000 0.197 361 E C 0.423 177.040 176.600 0.028 0.000 1.007 361 E CA 0.174 56.585 56.400 0.019 0.000 0.849 361 E CB 0.128 29.829 29.700 0.001 0.000 0.774 361 E HN 0.088 nan 8.360 nan 0.000 0.506 362 V N 1.900 121.837 119.914 0.038 0.000 2.614 362 V HA -0.000 4.120 4.120 -0.000 0.000 0.291 362 V C 0.554 176.666 176.094 0.030 0.000 1.049 362 V CA -0.360 61.959 62.300 0.030 0.000 1.038 362 V CB 1.148 32.989 31.823 0.030 0.000 0.980 362 V HN 0.108 nan 8.190 nan 0.000 0.481 363 K N 4.538 124.948 120.400 0.015 0.000 2.472 363 K HA 0.105 4.425 4.320 -0.000 0.000 0.280 363 K C 0.697 177.295 176.600 -0.003 0.000 1.028 363 K CA 0.096 56.388 56.287 0.007 0.000 1.045 363 K CB 0.227 32.729 32.500 0.002 0.000 0.902 363 K HN 0.770 nan 8.250 nan 0.000 0.478 364 I N 0.529 121.090 120.570 -0.015 0.000 4.240 364 I HA 0.417 4.587 4.170 -0.000 0.000 0.331 364 I C 0.446 176.537 176.117 -0.042 0.000 1.381 364 I CA -0.440 60.836 61.300 -0.041 0.000 1.136 364 I CB 0.844 38.793 38.000 -0.084 0.000 1.137 364 I HN 0.710 nan 8.210 nan 0.000 0.411 365 G N 1.757 110.541 108.800 -0.027 0.000 2.317 365 G HA2 0.407 4.366 3.960 -0.000 0.000 0.293 365 G HA3 0.407 4.366 3.960 -0.000 0.000 0.293 365 G C -1.999 172.894 174.900 -0.013 0.000 1.287 365 G CA -0.258 44.827 45.100 -0.025 0.000 0.850 365 G HN 0.489 nan 8.290 nan 0.000 0.515 366 E N -1.890 118.305 120.200 -0.009 0.000 2.407 366 E HA 0.655 5.005 4.350 -0.000 0.000 0.279 366 E C -1.485 175.121 176.600 0.011 0.000 1.012 366 E CA -0.882 55.519 56.400 0.001 0.000 0.800 366 E CB 2.126 31.828 29.700 0.003 0.000 1.276 366 E HN 0.669 nan 8.360 nan 0.000 0.452 367 T N -0.619 113.945 114.554 0.018 0.000 2.900 367 T HA 0.326 4.676 4.350 -0.000 0.000 0.295 367 T C -0.188 174.532 174.700 0.033 0.000 1.044 367 T CA -0.415 61.705 62.100 0.033 0.000 0.995 367 T CB 0.946 69.833 68.868 0.031 0.000 1.072 367 T HN 0.676 nan 8.240 nan 0.000 0.473 368 N N 1.940 120.666 118.700 0.043 0.000 2.322 368 N HA 0.399 5.139 4.740 -0.000 0.000 0.194 368 N C 0.559 176.092 175.510 0.038 0.000 1.126 368 N CA -0.732 52.340 53.050 0.036 0.000 0.845 368 N CB 0.488 38.997 38.487 0.037 0.000 0.976 368 N HN 0.656 nan 8.380 nan 0.000 0.475 369 G N 0.247 109.073 108.800 0.043 0.000 2.632 369 G HA2 0.210 4.170 3.960 -0.000 0.000 0.292 369 G HA3 0.210 4.170 3.960 -0.000 0.000 0.292 369 G C -1.697 173.228 174.900 0.042 0.000 1.465 369 G CA -1.078 44.047 45.100 0.042 0.000 0.824 369 G HN 0.210 nan 8.290 nan 0.000 0.509 370 R N 0.136 120.658 120.500 0.036 0.000 2.623 370 R HA 0.327 4.667 4.340 -0.000 0.000 0.271 370 R C -0.735 175.589 176.300 0.039 0.000 1.043 370 R CA -0.069 56.050 56.100 0.032 0.000 1.083 370 R CB 0.213 30.530 30.300 0.028 0.000 0.974 370 R HN 0.342 nan 8.270 nan 0.000 0.436 371 L N 4.202 125.443 121.223 0.030 0.000 2.294 371 L HA 0.246 4.586 4.340 -0.000 0.000 0.283 371 L C -0.086 176.802 176.870 0.030 0.000 1.015 371 L CA -0.628 54.230 54.840 0.030 0.000 0.831 371 L CB 1.719 43.782 42.059 0.007 0.000 1.217 371 L HN 0.566 nan 8.230 nan 0.000 0.420 372 E N 2.808 123.034 120.200 0.044 0.000 2.238 372 E HA 0.069 4.419 4.350 -0.000 0.000 0.264 372 E C 0.742 177.370 176.600 0.048 0.000 1.136 372 E CA 0.132 56.560 56.400 0.046 0.000 0.929 372 E CB 1.377 31.112 29.700 0.058 0.000 1.010 372 E HN 0.789 nan 8.360 nan 0.000 0.440 373 G N 3.282 112.104 108.800 0.037 0.000 3.228 373 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.245 373 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.245 373 G C 0.193 175.118 174.900 0.042 0.000 1.051 373 G CA -0.365 44.756 45.100 0.035 0.000 0.809 373 G HN 0.305 nan 8.290 nan 0.000 0.531 374 D N 0.377 120.804 120.400 0.044 0.000 2.506 374 D HA 0.019 4.659 4.640 -0.000 0.000 0.234 374 D C 1.495 177.841 176.300 0.077 0.000 1.143 374 D CA -0.005 54.024 54.000 0.049 0.000 0.871 374 D CB 1.124 41.947 40.800 0.039 0.000 1.190 374 D HN 0.118 nan 8.370 nan 0.000 0.459 375 R N 1.455 122.004 120.500 0.081 0.000 2.120 375 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 375 R C 0.646 177.066 176.300 0.200 0.000 1.123 375 R CA 1.373 57.542 56.100 0.115 0.000 0.975 375 R CB 0.118 30.476 30.300 0.096 0.000 0.866 375 R HN 0.376 nan 8.270 nan 0.000 0.446 376 D N 0.130 120.625 120.400 0.159 0.000 2.182 376 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 376 D C 1.494 177.887 176.300 0.155 0.000 0.986 376 D CA 1.185 55.254 54.000 0.115 0.000 0.847 376 D CB 0.129 40.912 40.800 -0.029 0.000 0.942 376 D HN 0.161 nan 8.370 nan 0.000 0.467 377 K N 0.057 120.550 120.400 0.154 0.000 2.161 377 K HA 0.088 4.408 4.320 -0.000 0.000 0.205 377 K C 2.301 179.013 176.600 0.187 0.000 1.035 377 K CA 0.602 56.977 56.287 0.146 0.000 0.970 377 K CB -0.834 31.719 32.500 0.089 0.000 0.866 377 K HN 0.207 nan 8.250 nan 0.000 0.461 378 V N 0.242 120.255 119.914 0.166 0.000 2.828 378 V HA -0.118 4.002 4.120 -0.000 0.000 0.260 378 V C 1.615 177.832 176.094 0.206 0.000 1.101 378 V CA 1.448 63.856 62.300 0.181 0.000 1.123 378 V CB -0.737 31.166 31.823 0.134 0.000 0.704 378 V HN 0.166 nan 8.190 nan 0.000 0.493 379 R N -1.743 118.819 120.500 0.103 0.000 2.362 379 R HA 0.394 4.734 4.340 -0.000 0.000 0.227 379 R C 1.102 176.963 176.300 -0.732 0.000 0.905 379 R CA 0.383 56.395 56.100 -0.147 0.000 1.067 379 R CB 0.147 30.302 30.300 -0.242 0.000 1.078 379 R HN 0.598 nan 8.270 nan 0.000 0.516 380 F N -1.595 118.026 119.950 -0.549 0.000 2.577 380 F HA 0.218 4.745 4.527 -0.000 0.000 0.282 380 F C 0.566 175.878 175.800 -0.814 0.000 0.957 380 F CA -0.285 57.282 58.000 -0.722 0.000 1.168 380 F CB 0.573 39.391 39.000 -0.303 0.000 0.958 380 F HN -0.261 nan 8.300 nan 0.000 0.702 381 V N 0.187 120.015 119.914 -0.144 0.000 3.141 381 V HA 0.483 4.603 4.120 -0.000 0.000 0.312 381 V C -1.156 175.157 176.094 0.365 0.000 1.157 381 V CA -0.731 61.649 62.300 0.133 0.000 1.041 381 V CB 2.044 33.946 31.823 0.133 0.000 1.071 381 V HN -0.112 nan 8.190 nan 0.000 0.441 382 Q N 2.443 122.491 119.800 0.414 0.000 2.327 382 Q HA 0.419 4.759 4.340 -0.000 0.000 0.254 382 Q C -0.085 176.056 176.000 0.235 0.000 0.952 382 Q CA 0.129 56.146 55.803 0.357 0.000 0.884 382 Q CB 1.249 30.177 28.738 0.317 0.000 1.224 382 Q HN 1.007 nan 8.270 nan 0.000 0.422 383 T N -1.828 112.846 114.554 0.201 0.000 2.901 383 T HA 0.300 4.650 4.350 -0.000 0.000 0.293 383 T C 0.864 175.648 174.700 0.140 0.000 1.084 383 T CA -0.806 61.385 62.100 0.151 0.000 1.008 383 T CB 0.789 69.735 68.868 0.130 0.000 1.170 383 T HN 0.494 nan 8.240 nan 0.000 0.509 384 N N 0.631 119.409 118.700 0.129 0.000 2.459 384 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 384 N C 1.448 177.012 175.510 0.090 0.000 1.046 384 N CA 0.815 53.956 53.050 0.152 0.000 0.904 384 N CB -0.686 37.903 38.487 0.170 0.000 0.964 384 N HN 0.564 nan 8.380 nan 0.000 0.444 385 M N 0.833 120.469 119.600 0.060 0.000 2.156 385 M HA 0.227 4.707 4.480 -0.000 0.000 0.264 385 M C 1.909 178.219 176.300 0.017 0.000 1.067 385 M CA 1.393 56.702 55.300 0.015 0.000 1.131 385 M CB -0.895 31.720 32.600 0.024 0.000 1.368 385 M HN 0.177 nan 8.290 nan 0.000 0.416 386 G N 0.186 109.024 108.800 0.063 0.000 2.422 386 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 386 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 386 G C 1.644 176.583 174.900 0.065 0.000 1.146 386 G CA 0.567 45.708 45.100 0.068 0.000 0.769 386 G HN 0.370 nan 8.290 nan 0.000 0.547 387 R N -0.412 120.147 120.500 0.098 0.000 2.090 387 R HA 0.097 4.437 4.340 -0.000 0.000 0.228 387 R C 2.413 178.753 176.300 0.067 0.000 1.110 387 R CA 0.506 56.692 56.100 0.144 0.000 0.973 387 R CB -1.048 29.404 30.300 0.253 0.000 0.869 387 R HN 0.428 nan 8.270 nan 0.000 0.440 388 L N 1.238 122.401 121.223 -0.100 0.000 2.027 388 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 388 L C 2.150 178.866 176.870 -0.257 0.000 1.074 388 L CA 1.526 56.144 54.840 -0.370 0.000 0.745 388 L CB -0.510 41.286 42.059 -0.437 0.000 0.898 388 L HN 0.023 nan 8.230 nan 0.000 0.433 389 I N -0.816 119.669 120.570 -0.142 0.000 2.099 389 I HA -0.362 3.808 4.170 -0.000 0.000 0.239 389 I C 2.391 178.436 176.117 -0.119 0.000 1.066 389 I CA 1.730 62.964 61.300 -0.109 0.000 1.324 389 I CB -0.447 37.525 38.000 -0.047 0.000 1.037 389 I HN 0.253 nan 8.210 nan 0.000 0.401 390 L N 0.478 121.663 121.223 -0.063 0.000 2.191 390 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 390 L C 2.757 179.576 176.870 -0.085 0.000 1.103 390 L CA 1.002 55.821 54.840 -0.035 0.000 0.769 390 L CB -0.726 41.356 42.059 0.037 0.000 0.908 390 L HN 0.264 nan 8.230 nan 0.000 0.438 391 A N 0.089 122.815 122.820 -0.157 0.000 1.969 391 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 391 A C 2.545 179.784 177.584 -0.575 0.000 1.169 391 A CA 1.485 53.373 52.037 -0.248 0.000 0.635 391 A CB -0.454 18.447 19.000 -0.166 0.000 0.810 391 A HN 0.379 nan 8.150 nan 0.000 0.445 392 A N -0.614 121.797 122.820 -0.683 0.000 1.897 392 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 392 A C 2.109 179.566 177.584 -0.212 0.000 1.181 392 A CA 1.484 53.169 52.037 -0.585 0.000 0.620 392 A CB -0.471 18.326 19.000 -0.339 0.000 0.821 392 A HN 0.623 nan 8.150 nan 0.000 0.443 393 Q N -0.826 118.895 119.800 -0.132 0.000 2.079 393 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 393 Q C 2.170 178.156 176.000 -0.023 0.000 0.974 393 Q CA 1.615 57.398 55.803 -0.034 0.000 0.840 393 Q CB -0.274 28.462 28.738 -0.002 0.000 0.898 393 Q HN 0.696 nan 8.270 nan 0.000 0.430 394 M N 0.266 119.840 119.600 -0.044 0.000 2.175 394 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 394 M C 1.593 177.887 176.300 -0.010 0.000 1.063 394 M CA 1.240 56.529 55.300 -0.018 0.000 1.119 394 M CB -0.232 32.372 32.600 0.007 0.000 1.377 394 M HN 0.148 nan 8.290 nan 0.000 0.415 395 D N 0.569 120.958 120.400 -0.017 0.000 2.084 395 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 395 D C 1.999 178.311 176.300 0.021 0.000 0.990 395 D CA 1.468 55.495 54.000 0.046 0.000 0.826 395 D CB 0.038 40.928 40.800 0.149 0.000 0.971 395 D HN 0.014 nan 8.370 nan 0.000 0.453 396 R N -0.502 120.000 120.500 0.002 0.000 2.115 396 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 396 R C 1.943 178.258 176.300 0.025 0.000 1.111 396 R CA 2.142 58.233 56.100 -0.016 0.000 0.976 396 R CB -0.799 29.480 30.300 -0.035 0.000 0.870 396 R HN 0.379 nan 8.270 nan 0.000 0.445 397 T N -4.469 110.101 114.554 0.027 0.000 3.040 397 T HA 0.252 4.602 4.350 -0.000 0.000 0.250 397 T C 1.167 175.770 174.700 -0.162 0.000 1.058 397 T CA 0.220 62.313 62.100 -0.012 0.000 0.988 397 T CB 0.310 69.205 68.868 0.045 0.000 0.993 397 T HN 0.325 nan 8.240 nan 0.000 0.519 398 G N 1.667 110.417 108.800 -0.083 0.000 2.221 398 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.265 398 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.265 398 G C 0.295 175.136 174.900 -0.098 0.000 1.041 398 G CA -0.000 45.050 45.100 -0.082 0.000 0.807 398 G HN 1.145 nan 8.290 nan 0.000 0.502 399 A N -0.788 121.984 122.820 -0.080 0.000 2.313 399 A HA 0.628 4.948 4.320 -0.000 0.000 0.261 399 A C 1.214 178.824 177.584 0.044 0.000 1.090 399 A CA 0.534 52.538 52.037 -0.055 0.000 0.807 399 A CB 0.481 19.437 19.000 -0.073 0.000 1.055 399 A HN 0.191 nan 8.150 nan 0.000 0.492 400 D N -0.991 119.488 120.400 0.132 0.000 2.262 400 D HA 0.176 4.816 4.640 -0.000 0.000 0.212 400 D C 0.089 176.612 176.300 0.373 0.000 0.964 400 D CA 1.428 55.593 54.000 0.275 0.000 0.875 400 D CB 0.084 41.149 40.800 0.442 0.000 0.996 400 D HN 0.517 nan 8.370 nan 0.000 0.497 401 F N -0.450 119.555 119.950 0.093 0.000 2.754 401 F HA 0.759 5.286 4.527 -0.000 0.000 0.320 401 F C -1.547 174.327 175.800 0.123 0.000 1.156 401 F CA -1.814 56.249 58.000 0.105 0.000 0.950 401 F CB 1.256 40.321 39.000 0.109 0.000 1.388 401 F HN -0.140 nan 8.300 nan 0.000 0.485 402 A N 0.508 123.417 122.820 0.150 0.000 2.612 402 A HA 0.837 5.157 4.320 -0.000 0.000 0.293 402 A C -2.126 175.561 177.584 0.172 0.000 1.075 402 A CA -0.416 51.634 52.037 0.022 0.000 0.680 402 A CB 1.574 20.591 19.000 0.028 0.000 1.279 402 A HN 2.052 nan 8.150 nan 0.000 0.411 403 V N 2.039 122.024 119.914 0.120 0.000 3.120 403 V HA 0.887 5.006 4.120 -0.000 0.000 0.303 403 V C -1.195 174.937 176.094 0.063 0.000 1.238 403 V CA -0.164 62.198 62.300 0.104 0.000 1.008 403 V CB 2.131 34.081 31.823 0.212 0.000 1.064 403 V HN 1.706 nan 8.190 nan 0.000 0.434 404 M N 3.485 123.078 119.600 -0.013 0.000 2.721 404 M HA 0.765 5.245 4.480 -0.000 0.000 0.271 404 M C -0.941 175.308 176.300 -0.086 0.000 1.259 404 M CA -0.573 54.698 55.300 -0.048 0.000 0.835 404 M CB 2.138 34.729 32.600 -0.014 0.000 1.689 404 M HN 0.662 nan 8.290 nan 0.000 0.470 405 S N 0.052 115.669 115.700 -0.138 0.000 2.554 405 S HA 0.542 5.012 4.470 -0.000 0.000 0.278 405 S C 0.963 175.572 174.600 0.015 0.000 1.242 405 S CA -0.234 57.942 58.200 -0.041 0.000 1.051 405 S CB 1.190 64.352 63.200 -0.062 0.000 0.986 405 S HN 1.047 nan 8.310 nan 0.000 0.502 406 G N 1.989 110.835 108.800 0.077 0.000 2.475 406 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 406 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 406 G C 1.279 176.224 174.900 0.075 0.000 1.125 406 G CA 0.566 45.734 45.100 0.114 0.000 0.755 406 G HN 1.041 nan 8.290 nan 0.000 0.565 407 G N 0.577 109.414 108.800 0.062 0.000 2.501 407 G HA2 0.068 4.028 3.960 -0.000 0.000 0.220 407 G HA3 0.068 4.028 3.960 -0.000 0.000 0.220 407 G C 1.581 176.490 174.900 0.016 0.000 1.114 407 G CA 1.170 46.294 45.100 0.040 0.000 0.757 407 G HN 0.593 nan 8.290 nan 0.000 0.559 408 G N 0.089 108.880 108.800 -0.015 0.000 2.572 408 G HA2 0.149 4.109 3.960 -0.000 0.000 0.216 408 G HA3 0.149 4.109 3.960 -0.000 0.000 0.216 408 G C 0.632 175.512 174.900 -0.033 0.000 1.133 408 G CA -0.249 44.830 45.100 -0.035 0.000 0.791 408 G HN 0.421 nan 8.290 nan 0.000 0.538 409 I N 1.378 121.942 120.570 -0.011 0.000 2.301 409 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 409 I C 0.780 176.880 176.117 -0.028 0.000 1.046 409 I CA -0.732 60.555 61.300 -0.021 0.000 1.282 409 I CB 1.572 39.580 38.000 0.013 0.000 1.409 409 I HN -0.048 nan 8.210 nan 0.000 0.484 410 R N 3.019 123.469 120.500 -0.082 0.000 2.312 410 R HA 0.299 4.639 4.340 -0.000 0.000 0.205 410 R C -0.098 176.171 176.300 -0.052 0.000 0.904 410 R CA 0.118 56.168 56.100 -0.084 0.000 1.052 410 R CB -0.277 29.900 30.300 -0.206 0.000 1.014 410 R HN 0.607 nan 8.270 nan 0.000 0.503 411 D N -1.264 119.112 120.400 -0.040 0.000 2.738 411 D HA 0.241 4.881 4.640 -0.000 0.000 0.308 411 D C -1.072 175.222 176.300 -0.010 0.000 1.311 411 D CA -0.272 53.715 54.000 -0.022 0.000 0.799 411 D CB 1.520 42.299 40.800 -0.036 0.000 1.332 411 D HN -0.197 nan 8.370 nan 0.000 0.441 412 S N -0.253 115.445 115.700 -0.002 0.000 2.681 412 S HA 0.733 5.203 4.470 -0.000 0.000 0.299 412 S C -0.192 174.408 174.600 0.001 0.000 1.113 412 S CA -0.601 57.601 58.200 0.004 0.000 1.013 412 S CB 1.096 64.303 63.200 0.012 0.000 1.076 412 S HN 0.294 nan 8.310 nan 0.000 0.534 413 I N 1.917 122.489 120.570 0.004 0.000 2.436 413 I HA 0.312 4.481 4.170 -0.000 0.000 0.289 413 I C -0.245 175.877 176.117 0.009 0.000 1.010 413 I CA -0.688 60.615 61.300 0.004 0.000 1.098 413 I CB 1.579 39.580 38.000 0.001 0.000 1.266 413 I HN 0.442 nan 8.210 nan 0.000 0.434 414 E N 4.063 124.269 120.200 0.009 0.000 2.373 414 E HA 0.359 4.709 4.350 -0.000 0.000 0.263 414 E C 0.024 176.632 176.600 0.013 0.000 1.073 414 E CA -0.365 56.042 56.400 0.011 0.000 0.894 414 E CB 1.242 30.948 29.700 0.009 0.000 1.008 414 E HN 0.649 nan 8.360 nan 0.000 0.420 415 A N 1.258 124.087 122.820 0.016 0.000 2.520 415 A HA 0.440 4.760 4.320 -0.000 0.000 0.235 415 A C 0.907 178.499 177.584 0.014 0.000 1.065 415 A CA 1.000 53.048 52.037 0.018 0.000 0.764 415 A CB -0.219 18.793 19.000 0.020 0.000 1.002 415 A HN 0.733 nan 8.150 nan 0.000 0.502 416 G N 1.313 110.121 108.800 0.014 0.000 2.341 416 G HA2 0.064 4.024 3.960 -0.000 0.000 0.196 416 G HA3 0.064 4.024 3.960 -0.000 0.000 0.196 416 G C -0.995 173.910 174.900 0.009 0.000 1.231 416 G CA -0.128 44.978 45.100 0.010 0.000 1.155 416 G HN 0.850 nan 8.290 nan 0.000 0.529 417 D N 0.528 120.932 120.400 0.006 0.000 2.339 417 D HA 0.589 5.229 4.640 -0.000 0.000 0.245 417 D C 0.388 176.692 176.300 0.006 0.000 1.115 417 D CA 0.484 54.486 54.000 0.005 0.000 0.917 417 D CB 1.223 42.026 40.800 0.004 0.000 1.192 417 D HN 0.516 nan 8.370 nan 0.000 0.428 418 I N 0.760 121.333 120.570 0.005 0.000 2.498 418 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 418 I C 0.306 176.432 176.117 0.014 0.000 1.032 418 I CA -0.638 60.667 61.300 0.009 0.000 1.073 418 I CB 1.857 39.859 38.000 0.003 0.000 1.251 418 I HN 0.275 nan 8.210 nan 0.000 0.426 419 S N 4.595 120.314 115.700 0.031 0.000 2.747 419 S HA 0.356 4.826 4.470 -0.000 0.000 0.300 419 S C 0.624 175.292 174.600 0.113 0.000 1.121 419 S CA -0.497 57.736 58.200 0.055 0.000 0.995 419 S CB 1.491 64.721 63.200 0.051 0.000 1.113 419 S HN 0.594 nan 8.310 nan 0.000 0.547 420 Y N 1.331 121.623 120.300 -0.014 0.000 2.293 420 Y HA 0.076 4.625 4.550 -0.000 0.000 0.291 420 Y C 2.002 177.886 175.900 -0.026 0.000 1.137 420 Y CA 1.152 59.242 58.100 -0.016 0.000 1.202 420 Y CB -0.758 37.694 38.460 -0.012 0.000 0.990 420 Y HN 0.758 nan 8.280 nan 0.000 0.537 421 K N -0.149 120.317 120.400 0.111 0.000 2.103 421 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 421 K C 1.731 178.341 176.600 0.016 0.000 1.048 421 K CA 1.308 57.598 56.287 0.004 0.000 0.930 421 K CB -0.074 32.416 32.500 -0.017 0.000 0.716 421 K HN 0.335 nan 8.250 nan 0.000 0.444 422 N N 0.709 119.434 118.700 0.043 0.000 2.058 422 N HA -0.141 4.598 4.740 -0.000 0.000 0.191 422 N C 1.937 177.465 175.510 0.030 0.000 1.037 422 N CA 1.106 54.171 53.050 0.025 0.000 0.848 422 N CB -0.580 37.922 38.487 0.025 0.000 1.021 422 N HN -0.056 nan 8.380 nan 0.000 0.422 423 V N 1.915 121.877 119.914 0.080 0.000 2.332 423 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 423 V C 2.327 178.456 176.094 0.058 0.000 1.055 423 V CA 1.258 63.614 62.300 0.094 0.000 1.038 423 V CB -0.521 31.413 31.823 0.184 0.000 0.651 423 V HN 0.246 nan 8.190 nan 0.000 0.450 424 L N -0.758 120.487 121.223 0.036 0.000 2.376 424 L HA -0.103 4.236 4.340 -0.000 0.000 0.219 424 L C 2.371 179.179 176.870 -0.104 0.000 1.133 424 L CA 1.209 56.007 54.840 -0.070 0.000 0.816 424 L CB -0.423 41.536 42.059 -0.168 0.000 0.933 424 L HN 0.312 nan 8.230 nan 0.000 0.449 425 K N -0.854 119.499 120.400 -0.078 0.000 2.305 425 K HA 0.006 4.326 4.320 -0.000 0.000 0.199 425 K C 1.925 178.453 176.600 -0.121 0.000 1.047 425 K CA 0.532 56.759 56.287 -0.100 0.000 0.976 425 K CB 0.262 32.723 32.500 -0.065 0.000 0.765 425 K HN 0.119 nan 8.250 nan 0.000 0.474 426 V N 1.054 120.913 119.914 -0.090 0.000 2.591 426 V HA -0.091 4.028 4.120 -0.000 0.000 0.249 426 V C 0.751 176.760 176.094 -0.140 0.000 1.053 426 V CA 1.176 63.421 62.300 -0.092 0.000 1.068 426 V CB -0.016 31.779 31.823 -0.047 0.000 0.689 426 V HN 0.263 nan 8.190 nan 0.000 0.462 427 Q N 0.314 120.029 119.800 -0.142 0.000 2.907 427 Q HA 0.265 4.605 4.340 -0.000 0.000 0.262 427 Q C -2.065 173.806 176.000 -0.215 0.000 0.997 427 Q CA -1.250 54.456 55.803 -0.161 0.000 0.797 427 Q CB 1.456 30.164 28.738 -0.051 0.000 1.228 427 Q HN 0.381 nan 8.270 nan 0.000 0.466 428 P HA 0.073 nan 4.420 nan 0.000 0.252 428 P C 0.472 177.637 177.300 -0.226 0.000 1.218 428 P CA 0.269 63.147 63.100 -0.371 0.000 0.807 428 P CB 0.271 31.688 31.700 -0.472 0.000 1.072 429 F N 0.658 120.604 119.950 -0.006 0.000 2.765 429 F HA 0.396 4.923 4.527 -0.000 0.000 0.302 429 F C 1.740 177.577 175.800 0.062 0.000 1.111 429 F CA -0.269 57.744 58.000 0.021 0.000 1.359 429 F CB -1.333 37.660 39.000 -0.012 0.000 1.097 429 F HN -0.006 nan 8.300 nan 0.000 0.577 430 G N 1.649 110.554 108.800 0.175 0.000 2.366 430 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.299 430 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.299 430 G C 0.287 175.319 174.900 0.220 0.000 1.020 430 G CA -0.047 45.147 45.100 0.157 0.000 1.026 430 G HN 0.275 nan 8.290 nan 0.000 0.512 431 N N -1.328 117.495 118.700 0.206 0.000 2.354 431 N HA 0.470 5.209 4.740 -0.000 0.000 0.246 431 N C 0.496 176.115 175.510 0.182 0.000 1.285 431 N CA -0.127 53.050 53.050 0.211 0.000 0.925 431 N CB 1.090 39.693 38.487 0.193 0.000 1.174 431 N HN 0.136 nan 8.380 nan 0.000 0.478 432 V N 0.779 120.796 119.914 0.173 0.000 2.581 432 V HA 0.276 4.396 4.120 -0.000 0.000 0.303 432 V C 0.169 176.343 176.094 0.133 0.000 1.041 432 V CA -0.915 61.470 62.300 0.142 0.000 0.907 432 V CB 1.963 33.849 31.823 0.104 0.000 0.994 432 V HN 0.272 nan 8.190 nan 0.000 0.442 433 V N 5.473 125.475 119.914 0.147 0.000 2.555 433 V HA 0.417 4.537 4.120 -0.000 0.000 0.286 433 V C 0.167 176.321 176.094 0.101 0.000 1.044 433 V CA 0.064 62.451 62.300 0.145 0.000 1.026 433 V CB 1.272 33.210 31.823 0.192 0.000 0.981 433 V HN 0.770 nan 8.190 nan 0.000 0.480 434 V N 3.641 123.592 119.914 0.061 0.000 3.102 434 V HA 0.890 5.010 4.120 -0.000 0.000 0.312 434 V C -1.087 175.014 176.094 0.012 0.000 1.135 434 V CA -0.882 61.362 62.300 -0.093 0.000 1.022 434 V CB 2.061 33.796 31.823 -0.146 0.000 1.056 434 V HN 0.850 nan 8.190 nan 0.000 0.436 435 Y N -0.116 120.095 120.300 -0.149 0.000 2.644 435 Y HA 1.010 5.560 4.550 -0.000 0.000 0.338 435 Y C -0.576 175.283 175.900 -0.067 0.000 1.119 435 Y CA -1.185 56.866 58.100 -0.083 0.000 1.060 435 Y CB 1.566 39.995 38.460 -0.052 0.000 1.294 435 Y HN 1.313 nan 8.280 nan 0.000 0.472 436 A N 1.611 124.597 122.820 0.276 0.000 2.465 436 A HA 0.462 4.782 4.320 -0.000 0.000 0.292 436 A C -1.902 175.797 177.584 0.192 0.000 1.041 436 A CA -0.828 51.339 52.037 0.216 0.000 0.718 436 A CB 0.868 19.969 19.000 0.169 0.000 1.266 436 A HN 0.729 nan 8.150 nan 0.000 0.403 437 D N 2.630 123.152 120.400 0.203 0.000 2.308 437 D HA 0.546 5.185 4.640 -0.000 0.000 0.251 437 D C 0.038 176.409 176.300 0.119 0.000 1.127 437 D CA 0.664 54.751 54.000 0.145 0.000 0.876 437 D CB 1.169 42.045 40.800 0.126 0.000 1.176 437 D HN 0.557 nan 8.370 nan 0.000 0.446 438 M N 0.338 120.021 119.600 0.139 0.000 2.691 438 M HA 0.314 4.794 4.480 -0.000 0.000 0.293 438 M C 0.126 176.521 176.300 0.158 0.000 1.259 438 M CA -0.865 54.521 55.300 0.144 0.000 0.827 438 M CB 2.398 35.103 32.600 0.175 0.000 1.753 438 M HN 0.194 nan 8.290 nan 0.000 0.465 439 T N -2.166 112.475 114.554 0.144 0.000 2.925 439 T HA 0.464 4.814 4.350 -0.000 0.000 0.285 439 T C 1.121 175.950 174.700 0.216 0.000 1.021 439 T CA -0.342 61.834 62.100 0.126 0.000 1.042 439 T CB 1.483 70.394 68.868 0.071 0.000 1.037 439 T HN 0.842 nan 8.240 nan 0.000 0.481 440 G N 1.302 110.262 108.800 0.267 0.000 2.596 440 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.223 440 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.223 440 G C 1.380 176.386 174.900 0.176 0.000 1.120 440 G CA 1.405 46.705 45.100 0.333 0.000 0.752 440 G HN 0.762 nan 8.290 nan 0.000 0.596 441 K N 0.764 121.240 120.400 0.128 0.000 2.288 441 K HA 0.072 4.392 4.320 -0.000 0.000 0.201 441 K C 2.276 178.937 176.600 0.101 0.000 1.048 441 K CA 1.158 57.498 56.287 0.089 0.000 0.956 441 K CB -0.121 32.419 32.500 0.066 0.000 0.746 441 K HN 0.508 nan 8.250 nan 0.000 0.461 442 E N -0.417 119.864 120.200 0.135 0.000 2.086 442 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 442 E C 1.828 178.559 176.600 0.220 0.000 0.975 442 E CA 1.068 57.563 56.400 0.158 0.000 0.813 442 E CB -0.037 29.752 29.700 0.149 0.000 0.768 442 E HN 0.237 nan 8.360 nan 0.000 0.457 443 V N -0.081 119.973 119.914 0.234 0.000 2.469 443 V HA -0.238 3.882 4.120 -0.000 0.000 0.251 443 V C 2.061 178.262 176.094 0.178 0.000 1.064 443 V CA 1.464 63.930 62.300 0.276 0.000 1.066 443 V CB -0.656 31.258 31.823 0.151 0.000 0.667 443 V HN 0.175 nan 8.190 nan 0.000 0.461 444 I N 0.689 121.313 120.570 0.090 0.000 2.286 444 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 444 I C 2.353 178.490 176.117 0.033 0.000 1.104 444 I CA 1.816 63.129 61.300 0.021 0.000 1.397 444 I CB -0.518 37.483 38.000 0.001 0.000 1.072 444 I HN 0.284 nan 8.210 nan 0.000 0.417 445 D N -0.061 120.385 120.400 0.076 0.000 2.183 445 D HA -0.184 4.456 4.640 -0.000 0.000 0.203 445 D C 1.826 178.173 176.300 0.079 0.000 0.969 445 D CA 1.090 55.125 54.000 0.059 0.000 0.842 445 D CB -0.254 40.590 40.800 0.074 0.000 0.957 445 D HN 0.314 nan 8.370 nan 0.000 0.484 446 Y N 1.528 121.861 120.300 0.055 0.000 2.092 446 Y HA -0.099 4.451 4.550 -0.000 0.000 0.282 446 Y C 2.208 178.156 175.900 0.081 0.000 1.126 446 Y CA 1.297 59.450 58.100 0.088 0.000 1.111 446 Y CB -0.490 38.070 38.460 0.166 0.000 0.987 446 Y HN -0.152 nan 8.280 nan 0.000 0.489 447 L N -0.791 120.522 121.223 0.150 0.000 2.013 447 L HA -0.303 4.037 4.340 -0.000 0.000 0.212 447 L C 2.309 179.096 176.870 -0.138 0.000 1.073 447 L CA 1.965 56.839 54.840 0.056 0.000 0.753 447 L CB -1.227 40.870 42.059 0.062 0.000 0.890 447 L HN 0.241 nan 8.230 nan 0.000 0.432 448 T N -0.018 114.447 114.554 -0.148 0.000 2.685 448 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 448 T C 1.946 176.556 174.700 -0.151 0.000 1.034 448 T CA 1.673 63.671 62.100 -0.171 0.000 1.149 448 T CB -0.270 68.530 68.868 -0.113 0.000 0.860 448 T HN 0.516 nan 8.240 nan 0.000 0.449 449 A N 0.611 123.325 122.820 -0.176 0.000 1.872 449 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 449 A C 2.587 180.013 177.584 -0.265 0.000 1.187 449 A CA 1.087 53.003 52.037 -0.201 0.000 0.614 449 A CB -0.792 18.074 19.000 -0.224 0.000 0.826 449 A HN 0.356 nan 8.150 nan 0.000 0.442 450 V N 0.183 119.877 119.914 -0.366 0.000 2.407 450 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 450 V C 2.986 179.032 176.094 -0.081 0.000 1.055 450 V CA 1.757 63.806 62.300 -0.418 0.000 1.049 450 V CB -1.270 30.321 31.823 -0.386 0.000 0.662 450 V HN 0.585 nan 8.190 nan 0.000 0.455 451 A N -0.650 122.214 122.820 0.074 0.000 2.076 451 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 451 A C 2.102 179.874 177.584 0.313 0.000 1.160 451 A CA 1.709 53.954 52.037 0.348 0.000 0.653 451 A CB -0.439 18.506 19.000 -0.091 0.000 0.801 451 A HN 0.685 nan 8.150 nan 0.000 0.455 452 Q N -0.860 118.972 119.800 0.053 0.000 2.425 452 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 452 Q C -0.043 175.911 176.000 -0.075 0.000 0.933 452 Q CA -0.174 55.630 55.803 0.000 0.000 0.939 452 Q CB -0.015 28.704 28.738 -0.031 0.000 1.044 452 Q HN 0.517 nan 8.270 nan 0.000 0.513 453 M N 1.521 121.052 119.600 -0.114 0.000 2.245 453 M HA 0.100 4.580 4.480 -0.000 0.000 0.344 453 M C 0.168 176.398 176.300 -0.117 0.000 1.170 453 M CA 0.511 55.745 55.300 -0.109 0.000 1.135 453 M CB 0.210 32.739 32.600 -0.119 0.000 1.574 453 M HN -0.171 nan 8.290 nan 0.000 0.452 454 K N 3.832 124.185 120.400 -0.078 0.000 2.098 454 K HA 0.555 4.875 4.320 -0.000 0.000 0.261 454 K C -2.202 174.372 176.600 -0.044 0.000 0.987 454 K CA -1.650 54.579 56.287 -0.096 0.000 0.916 454 K CB 0.429 32.878 32.500 -0.085 0.000 1.039 454 K HN 0.406 nan 8.250 nan 0.000 0.455 455 P HA -0.047 nan 4.420 nan 0.000 0.275 455 P C -0.114 176.903 177.300 -0.473 0.000 1.270 455 P CA 0.035 62.947 63.100 -0.315 0.000 0.791 455 P CB 0.365 31.798 31.700 -0.444 0.000 1.089 456 D N -1.500 118.254 120.400 -1.078 0.000 2.837 456 D HA -0.137 4.503 4.640 -0.000 0.000 0.230 456 D C -0.888 175.152 176.300 -0.433 0.000 1.152 456 D CA 1.314 54.653 54.000 -1.101 0.000 0.736 456 D CB -1.601 38.922 40.800 -0.461 0.000 1.084 456 D HN 0.549 nan 8.370 nan 0.000 0.429 457 S N -3.281 112.231 115.700 -0.313 0.000 2.536 457 S HA 0.661 5.131 4.470 -0.000 0.000 0.271 457 S C 1.444 176.024 174.600 -0.033 0.000 1.134 457 S CA -0.202 57.932 58.200 -0.111 0.000 0.897 457 S CB 1.640 64.811 63.200 -0.048 0.000 1.094 457 S HN 0.128 nan 8.310 nan 0.000 0.473 458 G N 1.108 109.914 108.800 0.011 0.000 2.499 458 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.221 458 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.221 458 G C 1.190 176.155 174.900 0.107 0.000 1.109 458 G CA 0.834 45.966 45.100 0.054 0.000 0.749 458 G HN 1.323 nan 8.290 nan 0.000 0.568 459 A N -0.701 122.198 122.820 0.131 0.000 2.208 459 A HA 0.294 4.614 4.320 -0.000 0.000 0.209 459 A C 0.900 178.612 177.584 0.213 0.000 1.161 459 A CA -0.469 51.702 52.037 0.224 0.000 0.782 459 A CB -0.337 18.790 19.000 0.211 0.000 0.816 459 A HN 0.382 nan 8.150 nan 0.000 0.477 460 Y N 2.990 123.303 120.300 0.022 0.000 2.802 460 Y HA 0.148 4.698 4.550 -0.000 0.000 0.333 460 Y C -2.141 173.803 175.900 0.072 0.000 1.244 460 Y CA -2.000 56.094 58.100 -0.009 0.000 1.558 460 Y CB 0.334 38.736 38.460 -0.097 0.000 1.233 460 Y HN 0.192 nan 8.280 nan 0.000 0.547 461 P HA 0.066 nan 4.420 nan 0.000 0.278 461 P C -1.317 175.617 177.300 -0.610 0.000 1.238 461 P CA -0.329 62.487 63.100 -0.473 0.000 0.794 461 P CB 1.393 32.789 31.700 -0.507 0.000 0.955 462 Q N 2.033 121.602 119.800 -0.385 0.000 2.322 462 Q HA 0.468 4.808 4.340 -0.000 0.000 0.265 462 Q C -0.593 175.249 176.000 -0.265 0.000 0.985 462 Q CA -0.379 55.334 55.803 -0.149 0.000 0.849 462 Q CB 1.261 30.006 28.738 0.010 0.000 1.274 462 Q HN 0.428 nan 8.270 nan 0.000 0.449 463 F N 0.329 120.371 119.950 0.153 0.000 2.541 463 F HA 0.806 5.333 4.527 -0.000 0.000 0.331 463 F C -0.003 175.886 175.800 0.147 0.000 1.057 463 F CA -1.087 57.020 58.000 0.178 0.000 0.975 463 F CB 1.822 40.924 39.000 0.169 0.000 1.246 463 F HN 0.482 nan 8.300 nan 0.000 0.484 464 A N 1.328 124.381 122.820 0.388 0.000 2.509 464 A HA 0.507 4.827 4.320 -0.000 0.000 0.282 464 A C -0.427 177.318 177.584 0.269 0.000 1.054 464 A CA -0.622 51.569 52.037 0.258 0.000 0.820 464 A CB 0.277 19.392 19.000 0.192 0.000 1.333 464 A HN 0.961 nan 8.150 nan 0.000 0.409 465 N N -0.636 118.171 118.700 0.179 0.000 2.882 465 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 465 N C -0.134 175.411 175.510 0.059 0.000 1.079 465 N CA 0.869 53.996 53.050 0.128 0.000 0.800 465 N CB -1.413 37.182 38.487 0.181 0.000 1.124 465 N HN 1.455 nan 8.380 nan 0.000 0.557 466 V N -2.237 117.703 119.914 0.044 0.000 2.540 466 V HA 0.853 4.973 4.120 -0.000 0.000 0.302 466 V C -0.049 175.919 176.094 -0.210 0.000 1.035 466 V CA -0.443 61.808 62.300 -0.080 0.000 0.873 466 V CB 2.202 34.034 31.823 0.015 0.000 0.992 466 V HN 0.057 nan 8.190 nan 0.000 0.428 467 S N 5.565 121.135 115.700 -0.216 0.000 2.500 467 S HA 1.007 5.477 4.470 -0.000 0.000 0.301 467 S C -0.785 173.686 174.600 -0.214 0.000 1.092 467 S CA -0.471 57.551 58.200 -0.297 0.000 1.030 467 S CB 1.409 64.499 63.200 -0.183 0.000 1.031 467 S HN 1.450 nan 8.310 nan 0.000 0.483 468 F N -0.167 119.594 119.950 -0.315 0.000 2.926 468 F HA 0.849 5.376 4.527 -0.000 0.000 0.321 468 F C -1.741 173.848 175.800 -0.351 0.000 1.168 468 F CA -1.068 56.737 58.000 -0.325 0.000 0.890 468 F CB 0.239 39.007 39.000 -0.387 0.000 1.357 468 F HN 0.386 nan 8.300 nan 0.000 0.468 475 L N 1.366 122.471 121.223 -0.197 0.000 3.295 475 L HA -0.231 4.109 4.340 -0.000 0.000 0.686 475 L C -0.762 176.028 176.870 -0.133 0.000 1.088 475 L CA 0.339 55.018 54.840 -0.268 0.000 1.255 475 L CB -1.164 40.663 42.059 -0.387 0.000 1.713 475 L HN 0.461 nan 8.230 nan 0.000 0.868 476 N N 2.633 121.288 118.700 -0.076 0.000 2.509 476 N HA 0.152 4.892 4.740 -0.000 0.000 0.287 476 N C 0.344 175.832 175.510 -0.037 0.000 1.121 476 N CA -0.443 52.577 53.050 -0.049 0.000 0.977 476 N CB 1.349 39.815 38.487 -0.036 0.000 1.167 476 N HN 0.452 nan 8.380 nan 0.000 0.476 477 D N 1.366 121.741 120.400 -0.041 0.000 3.205 477 D HA -0.213 4.427 4.640 -0.000 0.000 0.227 477 D C -1.054 175.219 176.300 -0.046 0.000 1.171 477 D CA 0.309 54.283 54.000 -0.043 0.000 0.929 477 D CB -0.406 40.368 40.800 -0.043 0.000 0.900 477 D HN 0.312 nan 8.370 nan 0.000 0.404 478 L N 2.403 123.591 121.223 -0.058 0.000 2.312 478 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 478 L C -0.093 176.711 176.870 -0.110 0.000 1.070 478 L CA 0.221 55.017 54.840 -0.073 0.000 0.805 478 L CB 1.110 43.108 42.059 -0.103 0.000 1.174 478 L HN 0.203 nan 8.230 nan 0.000 0.434 479 K N 5.527 125.845 120.400 -0.136 0.000 2.512 479 K HA 0.646 4.966 4.320 -0.000 0.000 0.263 479 K C -1.532 174.936 176.600 -0.220 0.000 0.966 479 K CA -0.672 55.521 56.287 -0.157 0.000 0.851 479 K CB 2.445 34.880 32.500 -0.107 0.000 1.395 479 K HN 0.473 nan 8.250 nan 0.000 0.440 480 I N 2.733 123.159 120.570 -0.239 0.000 2.497 480 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 480 I C -0.343 175.714 176.117 -0.099 0.000 1.060 480 I CA -0.628 60.515 61.300 -0.262 0.000 1.071 480 I CB 1.499 39.169 38.000 -0.551 0.000 1.216 480 I HN 0.588 nan 8.210 nan 0.000 0.442 481 K N 4.072 124.454 120.400 -0.029 0.000 3.423 481 K HA -0.189 4.131 4.320 -0.000 0.000 0.306 481 K C 0.731 177.334 176.600 0.004 0.000 1.331 481 K CA 0.965 57.264 56.287 0.020 0.000 0.905 481 K CB -1.686 30.850 32.500 0.061 0.000 1.332 481 K HN 1.247 nan 8.250 nan 0.000 0.473 482 G N -0.661 108.125 108.800 -0.024 0.000 2.307 482 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.210 482 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.210 482 G C -0.139 174.746 174.900 -0.027 0.000 1.005 482 G CA 0.244 45.331 45.100 -0.023 0.000 0.634 482 G HN 0.209 nan 8.290 nan 0.000 0.496 483 E N 1.102 121.289 120.200 -0.022 0.000 2.232 483 E HA 0.555 4.905 4.350 -0.000 0.000 0.264 483 E C -2.633 173.942 176.600 -0.042 0.000 0.973 483 E CA -1.953 54.438 56.400 -0.014 0.000 0.849 483 E CB 1.249 30.961 29.700 0.021 0.000 1.198 483 E HN 0.119 nan 8.360 nan 0.000 0.407 484 P HA 0.038 nan 4.420 nan 0.000 0.272 484 P C -0.556 176.721 177.300 -0.038 0.000 1.223 484 P CA -0.196 62.878 63.100 -0.044 0.000 0.784 484 P CB 0.552 32.242 31.700 -0.018 0.000 0.923 485 V N 2.921 122.784 119.914 -0.085 0.000 2.439 485 V HA 0.035 4.155 4.120 -0.000 0.000 0.271 485 V C 0.562 176.714 176.094 0.097 0.000 1.040 485 V CA 0.161 62.410 62.300 -0.084 0.000 1.002 485 V CB 0.152 31.857 31.823 -0.197 0.000 1.000 485 V HN 0.524 nan 8.190 nan 0.000 0.477 486 D N 7.501 128.065 120.400 0.274 0.000 2.336 486 D HA 0.195 4.835 4.640 -0.000 0.000 0.249 486 D C -1.576 174.839 176.300 0.191 0.000 1.213 486 D CA -2.099 52.014 54.000 0.188 0.000 0.870 486 D CB 1.953 42.841 40.800 0.146 0.000 1.076 486 D HN 0.224 nan 8.370 nan 0.000 0.483 487 P HA -0.106 nan 4.420 nan 0.000 0.220 487 P C 0.469 177.815 177.300 0.076 0.000 1.144 487 P CA 1.127 64.283 63.100 0.094 0.000 0.800 487 P CB 0.369 32.102 31.700 0.056 0.000 0.772 488 A N -2.007 120.845 122.820 0.054 0.000 2.220 488 A HA 0.065 4.385 4.320 -0.000 0.000 0.211 488 A C 1.131 178.705 177.584 -0.016 0.000 1.176 488 A CA 0.118 52.167 52.037 0.021 0.000 0.834 488 A CB -0.439 18.568 19.000 0.012 0.000 0.868 488 A HN 0.064 nan 8.150 nan 0.000 0.488 489 K N 0.361 120.736 120.400 -0.043 0.000 2.098 489 K HA 0.402 4.722 4.320 -0.000 0.000 0.261 489 K C -1.014 175.392 176.600 -0.323 0.000 0.987 489 K CA -0.216 55.941 56.287 -0.216 0.000 0.916 489 K CB 0.758 33.052 32.500 -0.343 0.000 1.039 489 K HN 0.077 nan 8.250 nan 0.000 0.455 490 T N 3.431 117.776 114.554 -0.348 0.000 2.733 490 T HA 0.299 4.649 4.350 -0.000 0.000 0.294 490 T C -1.210 173.285 174.700 -0.342 0.000 0.956 490 T CA -0.226 61.739 62.100 -0.225 0.000 0.987 490 T CB 0.014 68.830 68.868 -0.087 0.000 0.920 490 T HN 0.314 nan 8.240 nan 0.000 0.470 491 Y N 1.570 121.946 120.300 0.127 0.000 2.446 491 Y HA 0.557 5.107 4.550 -0.000 0.000 0.338 491 Y C 0.618 176.624 175.900 0.176 0.000 1.055 491 Y CA -1.315 56.897 58.100 0.187 0.000 1.101 491 Y CB 1.296 39.940 38.460 0.306 0.000 1.221 491 Y HN 0.422 nan 8.280 nan 0.000 0.460 492 R N 3.670 124.331 120.500 0.269 0.000 2.346 492 R HA 0.581 4.921 4.340 -0.000 0.000 0.311 492 R C -1.089 175.181 176.300 -0.050 0.000 0.983 492 R CA -0.515 55.642 56.100 0.095 0.000 0.880 492 R CB 0.860 31.149 30.300 -0.019 0.000 1.100 492 R HN 0.918 nan 8.270 nan 0.000 0.453 493 M N 3.580 123.053 119.600 -0.211 0.000 2.528 493 M HA 0.582 5.062 4.480 -0.000 0.000 0.321 493 M C -1.444 174.712 176.300 -0.240 0.000 1.153 493 M CA -0.547 54.391 55.300 -0.604 0.000 0.951 493 M CB 2.096 34.205 32.600 -0.820 0.000 1.705 493 M HN 0.785 nan 8.290 nan 0.000 0.451 494 A N 2.493 125.184 122.820 -0.215 0.000 2.356 494 A HA 0.909 5.229 4.320 -0.000 0.000 0.323 494 A C -0.513 177.062 177.584 -0.016 0.000 1.119 494 A CA -0.408 51.609 52.037 -0.033 0.000 0.790 494 A CB 1.976 20.974 19.000 -0.003 0.000 1.273 494 A HN 0.903 nan 8.150 nan 0.000 0.452 495 T N -0.261 114.322 114.554 0.048 0.000 2.674 495 T HA 0.430 4.780 4.350 -0.000 0.000 0.298 495 T C -1.778 172.979 174.700 0.095 0.000 1.775 495 T CA -0.504 61.636 62.100 0.067 0.000 0.960 495 T CB -0.030 68.889 68.868 0.085 0.000 1.976 495 T HN 0.643 nan 8.240 nan 0.000 0.459 496 L N 3.127 124.416 121.223 0.110 0.000 2.325 496 L HA 0.443 4.782 4.340 -0.000 0.000 0.278 496 L C 1.684 178.661 176.870 0.178 0.000 1.023 496 L CA -0.977 53.950 54.840 0.145 0.000 0.811 496 L CB 1.598 43.752 42.059 0.158 0.000 1.249 496 L HN 0.875 nan 8.230 nan 0.000 0.431 497 N N 2.285 121.097 118.700 0.186 0.000 2.184 497 N HA -0.318 4.422 4.740 -0.000 0.000 0.190 497 N C 1.530 177.139 175.510 0.166 0.000 1.011 497 N CA 1.655 54.822 53.050 0.195 0.000 0.867 497 N CB -0.617 37.974 38.487 0.174 0.000 0.993 497 N HN 0.649 nan 8.380 nan 0.000 0.433 498 F N 1.949 121.932 119.950 0.055 0.000 2.065 498 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 498 F C 1.945 177.736 175.800 -0.016 0.000 1.112 498 F CA 1.713 59.725 58.000 0.020 0.000 1.212 498 F CB -0.366 38.644 39.000 0.016 0.000 0.975 498 F HN -0.002 nan 8.300 nan 0.000 0.476 499 N N 0.536 119.229 118.700 -0.013 0.000 2.300 499 N HA -0.041 4.699 4.740 -0.000 0.000 0.179 499 N C 1.999 177.478 175.510 -0.051 0.000 1.016 499 N CA 1.087 54.021 53.050 -0.193 0.000 0.876 499 N CB -0.580 37.754 38.487 -0.256 0.000 0.979 499 N HN 0.416 nan 8.380 nan 0.000 0.432 500 A N 0.907 123.749 122.820 0.036 0.000 1.978 500 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 500 A C 2.073 179.625 177.584 -0.053 0.000 1.170 500 A CA 1.982 54.056 52.037 0.062 0.000 0.636 500 A CB -0.845 18.271 19.000 0.195 0.000 0.810 500 A HN 0.451 nan 8.150 nan 0.000 0.448 501 T N -4.370 110.131 114.554 -0.089 0.000 3.235 501 T HA 0.430 4.780 4.350 -0.000 0.000 0.251 501 T C 1.168 175.781 174.700 -0.146 0.000 1.060 501 T CA 0.920 62.944 62.100 -0.127 0.000 0.949 501 T CB -0.094 68.707 68.868 -0.111 0.000 1.020 501 T HN 1.686 nan 8.240 nan 0.000 0.564 502 G N 0.457 109.184 108.800 -0.122 0.000 2.141 502 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.242 502 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.242 502 G C 0.456 175.225 174.900 -0.219 0.000 0.982 502 G CA -0.341 44.703 45.100 -0.095 0.000 0.662 502 G HN 1.038 nan 8.290 nan 0.000 0.527 503 G N -0.446 108.020 108.800 -0.558 0.000 2.491 503 G HA2 0.460 4.420 3.960 -0.000 0.000 0.238 503 G HA3 0.460 4.420 3.960 -0.000 0.000 0.238 503 G C 0.544 175.221 174.900 -0.371 0.000 1.277 503 G CA 0.822 45.336 45.100 -0.976 0.000 0.851 503 G HN 0.814 nan 8.290 nan 0.000 0.573 504 D N 0.038 120.412 120.400 -0.043 0.000 2.870 504 D HA -0.198 4.442 4.640 -0.000 0.000 0.228 504 D C 1.650 178.110 176.300 0.267 0.000 1.147 504 D CA 2.267 56.383 54.000 0.194 0.000 0.757 504 D CB -1.308 39.662 40.800 0.283 0.000 1.091 504 D HN 1.638 nan 8.370 nan 0.000 0.429 505 G N -1.308 107.563 108.800 0.117 0.000 2.205 505 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.269 505 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.269 505 G C 0.396 175.365 174.900 0.114 0.000 0.977 505 G CA 0.781 45.930 45.100 0.081 0.000 0.652 505 G HN 0.463 nan 8.290 nan 0.000 0.539 506 Y N 0.903 121.169 120.300 -0.056 0.000 2.550 506 Y HA 0.362 4.912 4.550 -0.000 0.000 0.343 506 Y C -1.351 174.538 175.900 -0.018 0.000 1.245 506 Y CA -1.658 56.416 58.100 -0.042 0.000 1.462 506 Y CB -0.140 38.325 38.460 0.010 0.000 1.340 506 Y HN 0.010 nan 8.280 nan 0.000 0.604 507 P HA 0.029 nan 4.420 nan 0.000 0.264 507 P C -0.653 176.767 177.300 0.200 0.000 1.183 507 P CA 0.303 63.485 63.100 0.137 0.000 0.763 507 P CB 0.419 32.213 31.700 0.158 0.000 0.807 508 R N 2.961 123.515 120.500 0.090 0.000 2.298 508 R HA 0.234 4.574 4.340 -0.000 0.000 0.310 508 R C 0.840 177.131 176.300 -0.014 0.000 1.068 508 R CA -0.249 55.861 56.100 0.016 0.000 0.957 508 R CB 0.357 30.630 30.300 -0.045 0.000 1.003 508 R HN 0.542 nan 8.270 nan 0.000 0.454 509 L N 1.391 122.556 121.223 -0.096 0.000 2.609 509 L HA 0.020 4.359 4.340 -0.000 0.000 0.230 509 L C 1.638 178.208 176.870 -0.500 0.000 1.087 509 L CA -0.062 54.677 54.840 -0.168 0.000 0.874 509 L CB -0.106 41.900 42.059 -0.088 0.000 1.114 509 L HN 0.641 nan 8.230 nan 0.000 0.488 510 D N 2.721 122.787 120.400 -0.557 0.000 2.230 510 D HA -0.260 4.380 4.640 -0.000 0.000 0.189 510 D C 1.116 177.086 176.300 -0.551 0.000 1.006 510 D CA 2.084 55.648 54.000 -0.727 0.000 0.853 510 D CB -0.072 40.532 40.800 -0.327 0.000 0.959 510 D HN 0.436 nan 8.370 nan 0.000 0.449 511 N N -0.062 118.473 118.700 -0.275 0.000 2.455 511 N HA 0.067 4.807 4.740 -0.000 0.000 0.258 511 N C -0.850 174.599 175.510 -0.102 0.000 1.158 511 N CA -0.158 52.804 53.050 -0.148 0.000 0.893 511 N CB 0.328 38.761 38.487 -0.090 0.000 1.173 511 N HN -0.023 nan 8.380 nan 0.000 0.503 512 K N 0.402 120.734 120.400 -0.113 0.000 2.371 512 K HA 0.520 4.840 4.320 -0.000 0.000 0.251 512 K C -2.701 173.899 176.600 -0.001 0.000 0.934 512 K CA -1.845 54.416 56.287 -0.043 0.000 0.798 512 K CB 1.606 34.090 32.500 -0.027 0.000 1.204 512 K HN 0.010 nan 8.250 nan 0.000 0.427 513 P HA 0.102 nan 4.420 nan 0.000 0.270 513 P C 0.754 178.088 177.300 0.058 0.000 1.227 513 P CA 0.854 63.964 63.100 0.016 0.000 0.788 513 P CB 0.473 32.168 31.700 -0.008 0.000 0.926 514 G N -0.262 108.579 108.800 0.067 0.000 2.299 514 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.237 514 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.237 514 G C -0.014 174.961 174.900 0.125 0.000 1.027 514 G CA -0.096 45.063 45.100 0.097 0.000 0.619 514 G HN 0.584 nan 8.290 nan 0.000 0.513 515 Y N 1.782 122.060 120.300 -0.037 0.000 2.544 515 Y HA 0.466 5.016 4.550 -0.000 0.000 0.330 515 Y C 0.097 175.885 175.900 -0.186 0.000 1.136 515 Y CA 0.081 58.126 58.100 -0.092 0.000 1.417 515 Y CB 0.939 39.358 38.460 -0.068 0.000 1.229 515 Y HN 0.231 nan 8.280 nan 0.000 0.532 516 V N 7.403 126.782 119.914 -0.892 0.000 2.483 516 V HA 0.196 4.316 4.120 -0.000 0.000 0.297 516 V C -0.585 174.842 176.094 -1.112 0.000 1.027 516 V CA -1.272 60.435 62.300 -0.988 0.000 0.855 516 V CB 1.614 32.659 31.823 -1.297 0.000 0.995 516 V HN 0.817 nan 8.190 nan 0.000 0.424 517 N N 2.900 121.141 118.700 -0.764 0.000 2.420 517 N HA 0.104 4.844 4.740 -0.000 0.000 0.249 517 N C 1.182 176.525 175.510 -0.278 0.000 1.033 517 N CA 0.342 53.103 53.050 -0.481 0.000 0.944 517 N CB 2.068 40.408 38.487 -0.246 0.000 1.113 517 N HN 0.834 nan 8.380 nan 0.000 0.502 518 T N 0.649 115.095 114.554 -0.179 0.000 3.055 518 T HA 0.122 4.472 4.350 -0.000 0.000 0.265 518 T C 1.342 175.909 174.700 -0.222 0.000 1.111 518 T CA 0.881 62.926 62.100 -0.092 0.000 1.118 518 T CB -0.229 68.764 68.868 0.208 0.000 0.909 518 T HN 0.652 nan 8.240 nan 0.000 0.501 519 G N 0.750 109.454 108.800 -0.160 0.000 2.179 519 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.260 519 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.260 519 G C -0.117 174.565 174.900 -0.363 0.000 0.977 519 G CA 0.054 44.988 45.100 -0.277 0.000 0.641 519 G HN 0.550 nan 8.290 nan 0.000 0.533 520 F N 1.265 121.280 119.950 0.108 0.000 2.384 520 F HA 0.617 5.144 4.527 -0.000 0.000 0.338 520 F C 0.995 176.836 175.800 0.067 0.000 1.103 520 F CA -1.524 56.534 58.000 0.097 0.000 1.157 520 F CB 0.709 39.796 39.000 0.145 0.000 1.167 520 F HN -0.112 nan 8.300 nan 0.000 0.529 521 I N 3.193 123.921 120.570 0.262 0.000 2.472 521 I HA 0.058 4.228 4.170 -0.000 0.000 0.290 521 I C 1.132 177.348 176.117 0.165 0.000 1.016 521 I CA -0.521 60.882 61.300 0.172 0.000 1.348 521 I CB 1.044 39.115 38.000 0.118 0.000 1.417 521 I HN 0.632 nan 8.210 nan 0.000 0.521 522 D N 5.612 126.092 120.400 0.133 0.000 2.127 522 D HA -0.264 4.375 4.640 -0.000 0.000 0.190 522 D C 1.709 178.065 176.300 0.094 0.000 1.000 522 D CA 2.046 56.107 54.000 0.102 0.000 0.839 522 D CB -0.376 40.472 40.800 0.079 0.000 0.955 522 D HN 0.571 nan 8.370 nan 0.000 0.446 523 A N 0.304 123.187 122.820 0.105 0.000 1.933 523 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 523 A C 2.227 179.941 177.584 0.218 0.000 1.175 523 A CA 1.884 54.015 52.037 0.158 0.000 0.628 523 A CB -0.677 18.420 19.000 0.161 0.000 0.814 523 A HN 0.317 nan 8.150 nan 0.000 0.444 524 E N 0.319 120.644 120.200 0.207 0.000 2.072 524 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 524 E C 2.033 178.664 176.600 0.052 0.000 0.982 524 E CA 1.502 57.995 56.400 0.155 0.000 0.803 524 E CB -0.271 29.546 29.700 0.195 0.000 0.755 524 E HN 0.311 nan 8.360 nan 0.000 0.453 525 V N 1.710 121.665 119.914 0.068 0.000 2.407 525 V HA -0.246 3.873 4.120 -0.000 0.000 0.248 525 V C 2.644 178.753 176.094 0.025 0.000 1.055 525 V CA 1.575 63.891 62.300 0.026 0.000 1.049 525 V CB -0.600 31.251 31.823 0.047 0.000 0.662 525 V HN 0.232 nan 8.190 nan 0.000 0.455 526 L N 0.642 121.882 121.223 0.029 0.000 2.027 526 L HA -0.132 4.207 4.340 -0.000 0.000 0.206 526 L C 2.471 179.351 176.870 0.016 0.000 1.074 526 L CA 2.309 57.163 54.840 0.023 0.000 0.745 526 L CB -0.877 41.193 42.059 0.017 0.000 0.898 526 L HN 0.319 nan 8.230 nan 0.000 0.433 527 K N -0.417 119.951 120.400 -0.053 0.000 2.063 527 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 527 K C 1.906 178.425 176.600 -0.136 0.000 1.048 527 K CA 1.608 57.780 56.287 -0.192 0.000 0.928 527 K CB -0.295 31.858 32.500 -0.577 0.000 0.713 527 K HN 0.429 nan 8.250 nan 0.000 0.442 528 A N 0.129 122.899 122.820 -0.084 0.000 1.930 528 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 528 A C 2.040 179.632 177.584 0.013 0.000 1.175 528 A CA 1.279 53.287 52.037 -0.048 0.000 0.627 528 A CB -0.758 18.218 19.000 -0.040 0.000 0.815 528 A HN 0.615 nan 8.150 nan 0.000 0.443 529 Y N 0.238 120.495 120.300 -0.072 0.000 2.220 529 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 529 Y C 1.985 177.858 175.900 -0.045 0.000 1.129 529 Y CA 1.476 59.548 58.100 -0.047 0.000 1.161 529 Y CB -0.148 38.289 38.460 -0.038 0.000 0.997 529 Y HN 0.244 nan 8.280 nan 0.000 0.522 530 I N 0.277 120.881 120.570 0.057 0.000 2.179 530 I HA -0.361 3.809 4.170 -0.000 0.000 0.242 530 I C 2.517 178.577 176.117 -0.095 0.000 1.088 530 I CA 1.981 63.262 61.300 -0.032 0.000 1.357 530 I CB -0.504 37.490 38.000 -0.009 0.000 1.051 530 I HN 0.303 nan 8.210 nan 0.000 0.409 531 Q N 1.209 120.957 119.800 -0.087 0.000 2.224 531 Q HA -0.244 4.095 4.340 -0.000 0.000 0.203 531 Q C 2.145 178.086 176.000 -0.098 0.000 0.970 531 Q CA 1.466 57.217 55.803 -0.088 0.000 0.865 531 Q CB 0.074 28.756 28.738 -0.094 0.000 0.922 531 Q HN 0.372 nan 8.270 nan 0.000 0.445 532 K N -1.091 119.229 120.400 -0.133 0.000 2.262 532 K HA 0.057 4.377 4.320 -0.000 0.000 0.200 532 K C 1.128 177.602 176.600 -0.210 0.000 1.049 532 K CA 1.086 57.282 56.287 -0.151 0.000 0.979 532 K CB 0.344 32.754 32.500 -0.150 0.000 0.773 532 K HN 0.028 nan 8.250 nan 0.000 0.474 533 S N 0.021 115.545 115.700 -0.293 0.000 2.523 533 S HA 0.067 4.537 4.470 -0.000 0.000 0.217 533 S C 0.273 174.796 174.600 -0.129 0.000 0.996 533 S CA -0.390 57.642 58.200 -0.281 0.000 0.921 533 S CB 0.696 63.579 63.200 -0.528 0.000 0.829 533 S HN 0.240 nan 8.310 nan 0.000 0.495 534 S N 3.050 118.690 115.700 -0.099 0.000 2.563 534 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 534 S C -2.624 171.955 174.600 -0.035 0.000 1.331 534 S CA -0.830 57.342 58.200 -0.047 0.000 1.047 534 S CB 0.098 63.272 63.200 -0.043 0.000 0.859 534 S HN 0.044 nan 8.310 nan 0.000 0.514 535 P HA 0.277 nan 4.420 nan 0.000 0.276 535 P C -0.998 176.317 177.300 0.025 0.000 1.235 535 P CA -0.245 62.856 63.100 0.003 0.000 0.772 535 P CB 0.438 32.142 31.700 0.005 0.000 0.871 536 L N 2.916 124.166 121.223 0.045 0.000 2.331 536 L HA 0.257 4.596 4.340 -0.000 0.000 0.278 536 L C 0.600 177.543 176.870 0.123 0.000 1.106 536 L CA -0.171 54.735 54.840 0.111 0.000 0.824 536 L CB 0.442 42.567 42.059 0.111 0.000 1.142 536 L HN 0.346 nan 8.230 nan 0.000 0.443 537 D N 2.080 122.574 120.400 0.157 0.000 2.454 537 D HA 0.166 4.805 4.640 -0.000 0.000 0.225 537 D C 0.916 177.317 176.300 0.168 0.000 1.081 537 D CA -0.620 53.445 54.000 0.108 0.000 0.864 537 D CB 1.611 42.439 40.800 0.047 0.000 1.040 537 D HN 0.295 nan 8.370 nan 0.000 0.517 538 V N 1.883 121.899 119.914 0.171 0.000 2.828 538 V HA -0.172 3.948 4.120 -0.000 0.000 0.260 538 V C 1.722 177.909 176.094 0.155 0.000 1.101 538 V CA 1.621 64.050 62.300 0.216 0.000 1.123 538 V CB -0.789 31.117 31.823 0.138 0.000 0.704 538 V HN 0.373 nan 8.190 nan 0.000 0.493 539 S N 0.592 116.336 115.700 0.073 0.000 2.383 539 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 539 S C 1.957 176.536 174.600 -0.035 0.000 1.026 539 S CA 1.475 59.690 58.200 0.025 0.000 0.981 539 S CB -0.274 62.931 63.200 0.008 0.000 0.818 539 S HN 0.544 nan 8.310 nan 0.000 0.472 540 V N 0.339 120.176 119.914 -0.129 0.000 2.392 540 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 540 V C 1.308 177.109 176.094 -0.489 0.000 1.059 540 V CA 1.538 63.624 62.300 -0.357 0.000 1.051 540 V CB -0.813 30.658 31.823 -0.587 0.000 0.658 540 V HN 0.570 nan 8.190 nan 0.000 0.455 541 Y N -0.924 119.413 120.300 0.061 0.000 2.532 541 Y HA 0.316 4.866 4.550 -0.000 0.000 0.283 541 Y C 0.862 176.798 175.900 0.061 0.000 1.181 541 Y CA -0.715 57.425 58.100 0.067 0.000 1.256 541 Y CB -0.037 38.468 38.460 0.075 0.000 1.112 541 Y HN 0.168 nan 8.280 nan 0.000 0.521 542 E N 3.671 123.939 120.200 0.114 0.000 2.180 542 E HA 0.126 4.476 4.350 -0.000 0.000 0.283 542 E C -2.404 174.243 176.600 0.079 0.000 1.061 542 E CA -2.052 54.406 56.400 0.098 0.000 0.861 542 E CB 0.627 30.365 29.700 0.064 0.000 1.056 542 E HN 0.162 nan 8.360 nan 0.000 0.407 543 P HA 0.067 nan 4.420 nan 0.000 0.271 543 P C -0.271 177.060 177.300 0.052 0.000 1.216 543 P CA -0.296 62.852 63.100 0.081 0.000 0.771 543 P CB 0.779 32.547 31.700 0.114 0.000 0.864 544 K N 2.306 122.721 120.400 0.026 0.000 3.109 544 K HA 0.235 4.555 4.320 -0.000 0.000 0.214 544 K C 1.096 177.692 176.600 -0.008 0.000 1.196 544 K CA -0.417 55.875 56.287 0.010 0.000 1.115 544 K CB -0.366 32.132 32.500 -0.003 0.000 1.103 544 K HN 0.841 nan 8.250 nan 0.000 0.467 545 G N 2.773 111.574 108.800 0.002 0.000 2.341 545 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.292 545 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.292 545 G C 0.688 175.529 174.900 -0.098 0.000 1.021 545 G CA 0.707 45.792 45.100 -0.026 0.000 0.905 545 G HN 0.517 nan 8.290 nan 0.000 0.508 546 E N -0.965 119.164 120.200 -0.119 0.000 2.516 546 E HA 0.073 4.423 4.350 -0.000 0.000 0.199 546 E C 1.074 177.434 176.600 -0.400 0.000 1.069 546 E CA 0.967 57.248 56.400 -0.197 0.000 0.876 546 E CB -0.380 29.232 29.700 -0.146 0.000 0.843 546 E HN 1.276 nan 8.360 nan 0.000 0.530 547 V N -1.341 118.279 119.914 -0.490 0.000 2.709 547 V HA 0.789 4.909 4.120 -0.000 0.000 0.308 547 V C -0.495 175.189 176.094 -0.683 0.000 1.062 547 V CA -0.539 61.144 62.300 -1.028 0.000 0.901 547 V CB 1.872 32.882 31.823 -1.356 0.000 1.003 547 V HN 0.198 nan 8.190 nan 0.000 0.425 548 S N 2.475 117.698 115.700 -0.795 0.000 2.671 548 S HA 0.930 5.400 4.470 -0.000 0.000 0.277 548 S C -1.461 172.714 174.600 -0.709 0.000 1.165 548 S CA -0.806 57.096 58.200 -0.497 0.000 0.822 548 S CB 1.724 64.811 63.200 -0.188 0.000 1.150 548 S HN 0.949 nan 8.310 nan 0.000 0.479 549 W N 0.000 121.379 121.300 0.132 0.000 2.388 549 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 549 W CA 0.000 57.431 57.345 0.142 0.000 1.226 549 W CB 0.000 29.558 29.460 0.164 0.000 1.126 549 W HN 0.000 nan 8.180 nan 0.000 0.535