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 2d5l_1_A DATA FIRST_RESID 45 DATA SEQUENCE EFYNFYPEXX VGLQWMGDNY VFIEGDDLVF NKXXXXXXXT TRFSAADLNA DATA SEQUENCE LMPXXXXXXX XXXXPSFRTL DAGRGLVVLF TQGGLVGFDM LARKVTYLFD DATA SEQUENCE TNEETASLDF SPVGDRVAYV RNHNLYIARG GKLGEGMSRA IAVTIDGTET DATA SEQUENCE LVYGQAVHQR EFGIEKGTFW SPKGSCLAFY RMDQSMVKPT PIVDYHPLEA DATA SEQUENCE ESKPLYYPMA GTPSHHVTVG IYHLATGKTV YLQTGEPKEK FLTNLSWSPD DATA SEQUENCE ENILYVAEVN RAQNECKVNA YDAETGRFVR TLFVETDKHY VEPLHPLTFL DATA SEQUENCE PGSNNQFIWQ SRRDGWNHLY LYDTTGRLIR QVTKGEWEVT NFAGFDPKGT DATA SEQUENCE RLYFESTEAS PLERHFYCID IKGGKTKDLT PESGMHRTQL SPDGSAIIDI DATA SEQUENCE FQSPTVPRKV TVTNIGKGSH TLLEAKXXXT GYAMPEIRTG TIMAADGQTP DATA SEQUENCE LYYKLTMPLH FDPAKKYPVI VYVYGGPHAQ LVTKTWRSSV GGWDIYMAQK DATA SEQUENCE GYAVFTVDSR GSANRGAAFE QVIHRRLGQT EMADQMCGVD FLKSQSWVDA DATA SEQUENCE DRIGVHGWSY GGFMTTNLML THGDVFKVGV AGGPVIDWNR YEIMYGERYF DATA SEQUENCE DAPQENPEGY DAANLLKRAG DLKGRLMLIH GAIDPVVVWQ HSLLFLDACV DATA SEQUENCE KARTYPDYYV YPSHEHNVMG PDRVHLYETI TRYFTDHL 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 45 E HA 0.000 nan 4.350 nan 0.000 0.291 45 E C 0.000 176.710 176.600 0.183 0.000 1.382 45 E CA 0.000 56.505 56.400 0.174 0.000 0.976 45 E CB 0.000 29.767 29.700 0.113 0.000 0.812 46 F N 4.797 124.761 119.950 0.024 0.000 2.578 46 F HA 0.228 4.756 4.527 0.002 0.000 0.381 46 F C -1.028 174.793 175.800 0.035 0.000 1.069 46 F CA 0.569 58.524 58.000 -0.076 0.000 1.231 46 F CB 0.283 39.093 39.000 -0.316 0.000 1.086 46 F HN 0.427 nan 8.300 nan 0.000 0.564 47 Y N 6.142 126.078 120.300 -0.607 0.000 2.376 47 Y HA 0.294 4.845 4.550 0.002 0.000 0.340 47 Y C -0.729 174.820 175.900 -0.585 0.000 0.965 47 Y CA -1.540 56.248 58.100 -0.520 0.000 1.078 47 Y CB 0.959 39.036 38.460 -0.638 0.000 1.193 47 Y HN 0.615 nan 8.280 nan 0.000 0.452 48 N N 5.517 123.629 118.700 -0.980 0.000 2.521 48 N HA 0.212 4.953 4.740 0.002 0.000 0.236 48 N C -1.303 173.698 175.510 -0.847 0.000 1.067 48 N CA -0.108 52.576 53.050 -0.610 0.000 0.939 48 N CB -0.140 38.166 38.487 -0.302 0.000 1.201 48 N HN 0.370 nan 8.380 nan 0.000 0.511 49 F N 2.654 122.339 119.950 -0.442 0.000 2.480 49 F HA 0.146 4.674 4.527 0.002 0.000 0.319 49 F C 0.619 176.386 175.800 -0.054 0.000 1.230 49 F CA 0.409 58.254 58.000 -0.259 0.000 1.285 49 F CB 0.090 38.975 39.000 -0.192 0.000 1.208 49 F HN 0.416 nan 8.300 nan 0.000 0.579 50 Y N -0.811 119.547 120.300 0.096 0.000 3.125 50 Y HA -0.173 4.378 4.550 0.002 0.000 0.200 50 Y C -2.001 173.887 175.900 -0.021 0.000 1.373 50 Y CA -0.942 57.174 58.100 0.028 0.000 1.180 50 Y CB -2.290 36.189 38.460 0.032 0.000 1.381 50 Y HN 0.225 nan 8.280 nan 0.000 0.501 51 P HA 0.122 nan 4.420 nan 0.000 0.269 51 P C 0.057 177.381 177.300 0.041 0.000 1.209 51 P CA 0.309 63.406 63.100 -0.005 0.000 0.776 51 P CB 1.323 32.987 31.700 -0.060 0.000 0.876 56 G N 2.931 111.707 108.800 -0.040 0.000 3.020 56 G HA2 0.264 4.225 3.960 0.002 0.000 0.217 56 G HA3 0.264 4.225 3.960 0.002 0.000 0.217 56 G C 0.573 175.475 174.900 0.003 0.000 1.144 56 G CA -0.164 44.922 45.100 -0.024 0.000 0.760 56 G HN 0.495 nan 8.290 nan 0.000 0.548 57 L N 1.077 122.295 121.223 -0.009 0.000 2.605 57 L HA 0.157 4.498 4.340 0.002 0.000 0.296 57 L C 0.635 177.459 176.870 -0.075 0.000 1.255 57 L CA 0.769 55.588 54.840 -0.036 0.000 0.879 57 L CB 0.318 42.305 42.059 -0.120 0.000 1.124 57 L HN 0.587 nan 8.230 nan 0.000 0.507 58 Q N 1.777 121.494 119.800 -0.138 0.000 3.052 58 Q HA 0.251 4.592 4.340 0.002 0.000 0.309 58 Q C -2.081 173.795 176.000 -0.207 0.000 0.876 58 Q CA -1.072 54.657 55.803 -0.123 0.000 0.796 58 Q CB 0.447 29.203 28.738 0.030 0.000 1.564 58 Q HN 0.411 nan 8.270 nan 0.000 0.469 59 W N 0.871 122.221 121.300 0.083 0.000 2.512 59 W HA 0.759 5.420 4.660 0.002 0.000 0.335 59 W C -0.319 176.247 176.519 0.079 0.000 1.088 59 W CA -0.643 56.754 57.345 0.088 0.000 1.236 59 W CB 1.950 31.452 29.460 0.070 0.000 1.307 59 W HN 0.411 nan 8.180 nan 0.000 0.567 60 M N 4.005 123.830 119.600 0.375 0.000 2.134 60 M HA 0.318 4.799 4.480 0.002 0.000 0.249 60 M C 0.492 176.948 176.300 0.260 0.000 0.955 60 M CA -0.049 55.404 55.300 0.254 0.000 1.037 60 M CB 1.415 34.130 32.600 0.191 0.000 2.110 60 M HN 0.835 nan 8.290 nan 0.000 0.449 61 G N 2.986 111.904 108.800 0.198 0.000 2.720 61 G HA2 -0.270 3.691 3.960 0.002 0.000 0.293 61 G HA3 -0.270 3.691 3.960 0.002 0.000 0.293 61 G C -0.029 174.961 174.900 0.151 0.000 1.256 61 G CA 0.586 45.770 45.100 0.139 0.000 0.974 61 G HN 0.816 nan 8.290 nan 0.000 0.551 62 D N 1.129 121.640 120.400 0.184 0.000 2.563 62 D HA 0.186 4.827 4.640 0.002 0.000 0.237 62 D C -0.143 176.377 176.300 0.367 0.000 1.282 62 D CA -0.200 53.915 54.000 0.192 0.000 0.816 62 D CB -0.143 40.716 40.800 0.098 0.000 1.066 62 D HN 0.444 nan 8.370 nan 0.000 0.501 63 N N 1.078 120.031 118.700 0.420 0.000 2.269 63 N HA 0.213 4.954 4.740 0.002 0.000 0.304 63 N C -0.804 174.879 175.510 0.288 0.000 1.072 63 N CA -0.583 52.661 53.050 0.324 0.000 0.802 63 N CB 1.526 40.131 38.487 0.197 0.000 1.348 63 N HN 0.148 nan 8.380 nan 0.000 0.484 64 Y N -1.070 119.193 120.300 -0.061 0.000 2.313 64 Y HA 0.667 5.218 4.550 0.002 0.000 0.332 64 Y C -0.267 175.488 175.900 -0.242 0.000 1.071 64 Y CA -1.000 56.811 58.100 -0.481 0.000 1.169 64 Y CB 0.504 38.478 38.460 -0.810 0.000 1.192 64 Y HN 0.093 nan 8.280 nan 0.000 0.487 65 V N 5.849 125.654 119.914 -0.183 0.000 2.769 65 V HA 0.651 4.772 4.120 0.002 0.000 0.312 65 V C -0.659 175.380 176.094 -0.093 0.000 1.061 65 V CA -1.006 61.096 62.300 -0.330 0.000 0.931 65 V CB 1.451 32.944 31.823 -0.551 0.000 1.010 65 V HN 0.804 nan 8.190 nan 0.000 0.433 66 F N 1.806 121.651 119.950 -0.176 0.000 2.654 66 F HA 0.785 5.313 4.527 0.002 0.000 0.308 66 F C -1.079 174.673 175.800 -0.080 0.000 1.108 66 F CA -1.265 56.673 58.000 -0.104 0.000 0.957 66 F CB 1.008 39.961 39.000 -0.078 0.000 1.309 66 F HN 0.297 nan 8.300 nan 0.000 0.446 67 I N 1.422 122.079 120.570 0.144 0.000 2.612 67 I HA 0.329 4.500 4.170 0.002 0.000 0.295 67 I C 0.014 176.242 176.117 0.184 0.000 1.011 67 I CA -0.281 61.062 61.300 0.072 0.000 1.326 67 I CB 1.715 39.738 38.000 0.038 0.000 1.427 67 I HN 0.891 nan 8.210 nan 0.000 0.537 68 E N 2.987 123.246 120.200 0.098 0.000 4.017 68 E HA 0.260 4.611 4.350 0.002 0.000 0.205 68 E C 0.655 177.286 176.600 0.052 0.000 1.054 68 E CA 0.383 56.855 56.400 0.119 0.000 1.398 68 E CB 0.119 29.908 29.700 0.149 0.000 1.164 68 E HN 0.924 nan 8.360 nan 0.000 0.445 69 G N 1.858 110.677 108.800 0.032 0.000 4.236 69 G HA2 -0.468 3.493 3.960 0.002 0.000 0.222 69 G HA3 -0.468 3.493 3.960 0.002 0.000 0.222 69 G C 0.979 175.878 174.900 -0.003 0.000 1.354 69 G CA 0.876 45.981 45.100 0.009 0.000 0.966 69 G HN 0.524 nan 8.290 nan 0.000 0.624 70 D N 1.266 121.666 120.400 -0.000 0.000 2.369 70 D HA 0.218 4.859 4.640 0.002 0.000 0.231 70 D C 0.564 176.851 176.300 -0.022 0.000 0.967 70 D CA 1.220 55.211 54.000 -0.015 0.000 0.905 70 D CB 0.068 40.863 40.800 -0.008 0.000 1.044 70 D HN 0.511 nan 8.370 nan 0.000 0.487 71 D N -0.514 119.883 120.400 -0.004 0.000 2.340 71 D HA 0.398 5.039 4.640 0.002 0.000 0.243 71 D C -1.011 175.281 176.300 -0.013 0.000 0.988 71 D CA -0.644 53.359 54.000 0.005 0.000 0.959 71 D CB 2.033 42.848 40.800 0.025 0.000 1.226 71 D HN -0.070 nan 8.370 nan 0.000 0.509 72 L N 1.664 122.906 121.223 0.032 0.000 2.283 72 L HA 0.364 4.705 4.340 0.002 0.000 0.281 72 L C -1.357 175.425 176.870 -0.146 0.000 1.033 72 L CA -0.639 54.163 54.840 -0.063 0.000 0.848 72 L CB 1.045 43.147 42.059 0.072 0.000 1.226 72 L HN 0.206 nan 8.230 nan 0.000 0.429 73 V N 6.064 125.694 119.914 -0.472 0.000 2.408 73 V HA 0.263 4.384 4.120 0.002 0.000 0.267 73 V C -0.041 175.700 176.094 -0.589 0.000 1.047 73 V CA -0.146 61.850 62.300 -0.506 0.000 0.937 73 V CB 0.113 31.440 31.823 -0.826 0.000 0.999 73 V HN 0.422 nan 8.190 nan 0.000 0.472 74 F N 4.041 123.799 119.950 -0.321 0.000 2.404 74 F HA 0.550 5.078 4.527 0.002 0.000 0.339 74 F C 0.693 176.283 175.800 -0.349 0.000 1.105 74 F CA -0.494 57.330 58.000 -0.292 0.000 1.087 74 F CB 1.012 39.907 39.000 -0.174 0.000 1.143 74 F HN 0.444 nan 8.300 nan 0.000 0.491 75 N N 0.980 119.449 118.700 -0.385 0.000 2.284 75 N HA 0.544 5.285 4.740 0.002 0.000 0.289 75 N C -0.370 174.919 175.510 -0.369 0.000 1.179 75 N CA -0.761 51.984 53.050 -0.508 0.000 0.774 75 N CB 1.879 39.770 38.487 -0.993 0.000 1.548 75 N HN 0.560 nan 8.380 nan 0.000 0.473 85 T N 2.762 117.313 114.554 -0.005 0.000 2.824 85 T HA 0.722 5.073 4.350 0.002 0.000 0.277 85 T C 0.215 174.956 174.700 0.067 0.000 0.975 85 T CA -0.741 61.345 62.100 -0.023 0.000 0.966 85 T CB 1.093 69.871 68.868 -0.150 0.000 1.054 85 T HN 0.441 nan 8.240 nan 0.000 0.533 86 R N -0.273 120.268 120.500 0.067 0.000 2.836 86 R HA 0.581 4.922 4.340 0.002 0.000 0.269 86 R C -1.665 174.793 176.300 0.262 0.000 1.010 86 R CA -0.772 55.428 56.100 0.165 0.000 0.930 86 R CB 2.081 32.437 30.300 0.093 0.000 1.218 86 R HN 0.653 nan 8.270 nan 0.000 0.473 87 F N 1.276 121.295 119.950 0.115 0.000 2.902 87 F HA 0.200 4.728 4.527 0.002 0.000 0.368 87 F C -0.255 175.575 175.800 0.051 0.000 1.202 87 F CA -0.588 57.469 58.000 0.095 0.000 1.109 87 F CB 1.679 40.806 39.000 0.212 0.000 1.418 87 F HN 0.466 nan 8.300 nan 0.000 0.527 88 S N 3.274 119.001 115.700 0.045 0.000 2.584 88 S HA 0.366 4.837 4.470 0.002 0.000 0.270 88 S C 1.294 175.712 174.600 -0.303 0.000 1.346 88 S CA 0.366 58.509 58.200 -0.096 0.000 1.018 88 S CB 1.594 64.773 63.200 -0.036 0.000 0.899 88 S HN 0.824 nan 8.310 nan 0.000 0.542 89 A N 3.775 126.464 122.820 -0.220 0.000 2.019 89 A HA 0.119 4.440 4.320 0.002 0.000 0.219 89 A C 2.306 179.745 177.584 -0.241 0.000 1.164 89 A CA 1.815 53.702 52.037 -0.250 0.000 0.644 89 A CB -1.303 17.612 19.000 -0.141 0.000 0.805 89 A HN 1.134 nan 8.150 nan 0.000 0.449 90 A N 0.453 123.174 122.820 -0.166 0.000 1.873 90 A HA -0.142 4.179 4.320 0.002 0.000 0.215 90 A C 1.705 179.214 177.584 -0.124 0.000 1.186 90 A CA 1.846 53.814 52.037 -0.115 0.000 0.616 90 A CB -0.714 18.249 19.000 -0.063 0.000 0.823 90 A HN 0.478 nan 8.150 nan 0.000 0.442 91 D N -0.424 119.899 120.400 -0.128 0.000 2.123 91 D HA -0.150 4.491 4.640 0.002 0.000 0.196 91 D C 1.793 178.032 176.300 -0.102 0.000 0.992 91 D CA 1.371 55.360 54.000 -0.018 0.000 0.833 91 D CB -0.223 40.692 40.800 0.192 0.000 0.954 91 D HN 0.357 nan 8.370 nan 0.000 0.455 92 L N 0.913 121.804 121.223 -0.553 0.000 1.988 92 L HA -0.126 4.215 4.340 0.002 0.000 0.207 92 L C 1.707 178.392 176.870 -0.309 0.000 1.071 92 L CA 1.748 56.222 54.840 -0.609 0.000 0.744 92 L CB -0.933 40.560 42.059 -0.942 0.000 0.893 92 L HN -0.078 nan 8.230 nan 0.000 0.433 93 N N -0.167 118.379 118.700 -0.257 0.000 2.258 93 N HA -0.183 4.558 4.740 0.002 0.000 0.187 93 N C 1.659 177.118 175.510 -0.085 0.000 1.012 93 N CA 1.329 54.289 53.050 -0.151 0.000 0.870 93 N CB -0.239 38.175 38.487 -0.121 0.000 0.977 93 N HN 0.545 nan 8.380 nan 0.000 0.434 94 A N -0.490 122.292 122.820 -0.063 0.000 2.121 94 A HA 0.039 4.360 4.320 0.002 0.000 0.218 94 A C 1.799 179.394 177.584 0.019 0.000 1.154 94 A CA 0.707 52.737 52.037 -0.011 0.000 0.679 94 A CB -0.279 18.729 19.000 0.012 0.000 0.795 94 A HN 0.380 nan 8.150 nan 0.000 0.458 95 L N -0.716 120.523 121.223 0.025 0.000 2.664 95 L HA 0.195 4.536 4.340 0.002 0.000 0.233 95 L C 0.148 177.052 176.870 0.056 0.000 1.113 95 L CA -0.482 54.410 54.840 0.087 0.000 0.896 95 L CB -0.070 42.128 42.059 0.233 0.000 1.163 95 L HN 0.259 nan 8.230 nan 0.000 0.497 96 M N 1.994 121.588 119.600 -0.009 0.000 2.217 96 M HA 0.257 4.738 4.480 0.002 0.000 0.354 96 M C -1.671 174.630 176.300 0.002 0.000 1.225 96 M CA -1.788 53.504 55.300 -0.013 0.000 1.137 96 M CB -0.277 32.292 32.600 -0.050 0.000 1.576 96 M HN -0.107 nan 8.290 nan 0.000 0.461 110 S N 0.577 116.296 115.700 0.032 0.000 2.585 110 S HA 0.877 5.348 4.470 0.002 0.000 0.277 110 S C -0.131 174.540 174.600 0.118 0.000 1.241 110 S CA -0.453 57.703 58.200 -0.073 0.000 1.041 110 S CB 0.756 63.885 63.200 -0.119 0.000 0.987 110 S HN 0.575 nan 8.310 nan 0.000 0.512 111 F N -1.556 118.450 119.950 0.093 0.000 2.713 111 F HA 0.679 5.207 4.527 0.002 0.000 0.311 111 F C -0.837 175.061 175.800 0.164 0.000 1.141 111 F CA -1.381 56.729 58.000 0.183 0.000 0.939 111 F CB 1.473 40.544 39.000 0.120 0.000 1.325 111 F HN 0.739 nan 8.300 nan 0.000 0.453 112 R N 1.219 122.031 120.500 0.520 0.000 2.343 112 R HA 0.537 4.878 4.340 0.002 0.000 0.320 112 R C -1.204 175.280 176.300 0.306 0.000 0.956 112 R CA -0.412 55.892 56.100 0.339 0.000 0.836 112 R CB 1.619 32.136 30.300 0.361 0.000 1.151 112 R HN 0.921 nan 8.270 nan 0.000 0.450 113 T N 5.916 120.643 114.554 0.288 0.000 2.814 113 T HA 0.165 4.516 4.350 0.002 0.000 0.297 113 T C 1.356 176.116 174.700 0.099 0.000 0.956 113 T CA -0.197 62.030 62.100 0.212 0.000 1.123 113 T CB 0.794 69.803 68.868 0.235 0.000 0.902 113 T HN 0.544 nan 8.240 nan 0.000 0.528 114 L N 1.628 122.863 121.223 0.020 0.000 2.286 114 L HA 0.308 4.649 4.340 0.002 0.000 0.203 114 L C 0.830 177.720 176.870 0.033 0.000 1.068 114 L CA 0.446 55.273 54.840 -0.022 0.000 0.811 114 L CB 0.212 42.175 42.059 -0.160 0.000 0.989 114 L HN 0.492 nan 8.230 nan 0.000 0.467 115 D N -0.143 120.281 120.400 0.040 0.000 2.358 115 D HA 0.365 5.006 4.640 0.002 0.000 0.253 115 D C 0.575 176.922 176.300 0.080 0.000 1.288 115 D CA -0.058 53.977 54.000 0.058 0.000 0.950 115 D CB 1.873 42.696 40.800 0.037 0.000 1.197 115 D HN 0.070 nan 8.370 nan 0.000 0.550 116 A N 2.903 125.788 122.820 0.109 0.000 1.908 116 A HA -0.032 4.289 4.320 0.002 0.000 0.218 116 A C 2.045 179.705 177.584 0.126 0.000 1.181 116 A CA 2.014 54.137 52.037 0.143 0.000 0.627 116 A CB -0.865 18.241 19.000 0.177 0.000 0.818 116 A HN 0.594 nan 8.150 nan 0.000 0.445 117 G N -0.588 108.266 108.800 0.091 0.000 2.476 117 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 117 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 117 G C 1.684 176.619 174.900 0.060 0.000 1.164 117 G CA 0.959 46.098 45.100 0.066 0.000 0.768 117 G HN 0.593 nan 8.290 nan 0.000 0.560 118 R N -0.072 120.459 120.500 0.050 0.000 2.312 118 R HA 0.245 4.586 4.340 0.002 0.000 0.205 118 R C 1.558 177.877 176.300 0.033 0.000 0.904 118 R CA 0.420 56.538 56.100 0.030 0.000 1.052 118 R CB 0.282 30.591 30.300 0.015 0.000 1.014 118 R HN 0.376 nan 8.270 nan 0.000 0.503 119 G N 2.050 110.889 108.800 0.064 0.000 2.221 119 G HA2 -0.265 3.696 3.960 0.002 0.000 0.265 119 G HA3 -0.265 3.696 3.960 0.002 0.000 0.265 119 G C -0.079 174.838 174.900 0.029 0.000 1.041 119 G CA -0.033 45.111 45.100 0.073 0.000 0.807 119 G HN 0.169 nan 8.290 nan 0.000 0.502 120 L N -0.001 121.233 121.223 0.018 0.000 2.275 120 L HA 0.716 5.057 4.340 0.002 0.000 0.288 120 L C 0.883 177.748 176.870 -0.009 0.000 1.046 120 L CA -0.993 53.843 54.840 -0.006 0.000 0.805 120 L CB 1.405 43.462 42.059 -0.003 0.000 1.193 120 L HN 0.276 nan 8.230 nan 0.000 0.426 121 V N 1.927 121.831 119.914 -0.017 0.000 3.158 121 V HA 0.734 4.855 4.120 0.002 0.000 0.311 121 V C -0.949 175.124 176.094 -0.035 0.000 1.181 121 V CA -0.800 61.490 62.300 -0.017 0.000 1.054 121 V CB 2.424 34.184 31.823 -0.106 0.000 1.085 121 V HN 0.414 nan 8.190 nan 0.000 0.446 122 V N 2.005 121.897 119.914 -0.037 0.000 2.577 122 V HA 0.614 4.735 4.120 0.002 0.000 0.303 122 V C -0.818 175.289 176.094 0.022 0.000 1.042 122 V CA -0.508 61.717 62.300 -0.124 0.000 0.872 122 V CB 1.525 33.035 31.823 -0.522 0.000 0.998 122 V HN 0.878 nan 8.190 nan 0.000 0.423 123 L N 6.745 127.987 121.223 0.032 0.000 2.289 123 L HA 0.552 4.893 4.340 0.002 0.000 0.285 123 L C -0.924 175.955 176.870 0.015 0.000 1.049 123 L CA -0.305 54.615 54.840 0.133 0.000 0.804 123 L CB 1.308 43.423 42.059 0.093 0.000 1.195 123 L HN 0.517 nan 8.230 nan 0.000 0.428 124 F N 1.472 121.474 119.950 0.087 0.000 2.390 124 F HA 0.424 4.952 4.527 0.002 0.000 0.361 124 F C 0.633 176.458 175.800 0.042 0.000 1.124 124 F CA -0.215 57.824 58.000 0.066 0.000 1.149 124 F CB 1.065 40.094 39.000 0.048 0.000 1.160 124 F HN 0.371 nan 8.300 nan 0.000 0.501 125 T N 1.079 115.717 114.554 0.140 0.000 2.887 125 T HA 0.592 4.943 4.350 0.002 0.000 0.292 125 T C -0.162 174.579 174.700 0.068 0.000 1.087 125 T CA -0.836 61.317 62.100 0.089 0.000 1.009 125 T CB 1.422 70.320 68.868 0.050 0.000 1.203 125 T HN 0.559 nan 8.240 nan 0.000 0.518 126 Q N 0.149 119.976 119.800 0.045 0.000 2.244 126 Q HA 0.465 4.806 4.340 0.002 0.000 0.278 126 Q C 1.031 177.045 176.000 0.023 0.000 1.093 126 Q CA 0.102 55.924 55.803 0.031 0.000 0.916 126 Q CB -0.932 27.817 28.738 0.019 0.000 1.159 126 Q HN 1.929 nan 8.270 nan 0.000 0.384 127 G N 1.007 109.819 108.800 0.020 0.000 2.356 127 G HA2 0.397 4.358 3.960 0.002 0.000 0.233 127 G HA3 0.397 4.358 3.960 0.002 0.000 0.233 127 G C 0.810 175.720 174.900 0.016 0.000 1.105 127 G CA 0.505 45.612 45.100 0.012 0.000 0.861 127 G HN 2.688 nan 8.290 nan 0.000 0.493 128 G N -1.646 107.165 108.800 0.018 0.000 2.462 128 G HA2 0.317 4.278 3.960 0.002 0.000 0.685 128 G HA3 0.317 4.278 3.960 0.002 0.000 0.685 128 G C -0.475 174.440 174.900 0.026 0.000 1.295 128 G CA -0.398 44.717 45.100 0.024 0.000 0.941 128 G HN 1.257 nan 8.290 nan 0.000 0.554 129 L N -0.812 120.441 121.223 0.050 0.000 2.331 129 L HA 0.771 5.112 4.340 0.002 0.000 0.275 129 L C 0.096 177.054 176.870 0.146 0.000 1.022 129 L CA -1.310 53.537 54.840 0.012 0.000 0.812 129 L CB 2.060 44.093 42.059 -0.042 0.000 1.257 129 L HN 0.453 nan 8.230 nan 0.000 0.435 130 V N 1.221 121.196 119.914 0.101 0.000 2.349 130 V HA 0.428 4.549 4.120 0.002 0.000 0.284 130 V C 0.566 176.782 176.094 0.204 0.000 1.014 130 V CA -0.609 61.786 62.300 0.159 0.000 0.826 130 V CB 1.366 33.247 31.823 0.097 0.000 1.009 130 V HN 0.888 nan 8.190 nan 0.000 0.431 131 G N 3.335 112.328 108.800 0.323 0.000 2.406 131 G HA2 0.473 4.434 3.960 0.002 0.000 0.251 131 G HA3 0.473 4.434 3.960 0.002 0.000 0.251 131 G C -1.203 173.859 174.900 0.270 0.000 1.271 131 G CA 0.128 45.410 45.100 0.304 0.000 0.859 131 G HN 0.480 nan 8.290 nan 0.000 0.540 132 F N 1.271 121.231 119.950 0.017 0.000 2.581 132 F HA 0.345 4.873 4.527 0.002 0.000 0.311 132 F C -0.990 174.793 175.800 -0.028 0.000 1.113 132 F CA -1.282 56.713 58.000 -0.007 0.000 0.935 132 F CB 2.559 41.555 39.000 -0.005 0.000 1.232 132 F HN 0.392 nan 8.300 nan 0.000 0.445 133 D N 6.205 126.218 120.400 -0.646 0.000 2.396 133 D HA 0.158 4.799 4.640 0.002 0.000 0.225 133 D C 0.899 176.949 176.300 -0.416 0.000 1.121 133 D CA -0.176 53.579 54.000 -0.408 0.000 0.853 133 D CB 1.066 41.637 40.800 -0.381 0.000 1.043 133 D HN 0.496 nan 8.370 nan 0.000 0.500 134 M N 3.262 122.827 119.600 -0.059 0.000 2.229 134 M HA -0.072 4.409 4.480 0.002 0.000 0.264 134 M C 1.800 178.056 176.300 -0.073 0.000 1.063 134 M CA 0.843 56.212 55.300 0.115 0.000 1.114 134 M CB -0.272 32.495 32.600 0.278 0.000 1.387 134 M HN 0.509 nan 8.290 nan 0.000 0.420 135 L N -0.949 120.215 121.223 -0.097 0.000 2.131 135 L HA -0.048 4.293 4.340 0.002 0.000 0.206 135 L C 2.341 179.061 176.870 -0.250 0.000 1.087 135 L CA 0.988 55.729 54.840 -0.165 0.000 0.767 135 L CB -0.723 41.290 42.059 -0.076 0.000 0.917 135 L HN 0.206 nan 8.230 nan 0.000 0.441 136 A N -0.825 121.843 122.820 -0.253 0.000 2.267 136 A HA 0.102 4.423 4.320 0.002 0.000 0.213 136 A C 0.849 178.238 177.584 -0.326 0.000 1.192 136 A CA -0.314 51.566 52.037 -0.262 0.000 0.851 136 A CB -0.012 18.853 19.000 -0.226 0.000 0.881 136 A HN 0.344 nan 8.150 nan 0.000 0.494 137 R N -0.567 119.684 120.500 -0.416 0.000 3.146 137 R HA -0.149 4.192 4.340 0.002 0.000 0.250 137 R C -1.097 174.956 176.300 -0.412 0.000 0.912 137 R CA 1.078 56.942 56.100 -0.393 0.000 0.633 137 R CB -1.813 28.264 30.300 -0.370 0.000 1.180 137 R HN 0.572 nan 8.270 nan 0.000 0.464 138 K N -0.184 119.662 120.400 -0.924 0.000 2.532 138 K HA 0.414 4.734 4.320 0.002 0.000 0.265 138 K C -0.328 175.780 176.600 -0.821 0.000 0.948 138 K CA -0.963 54.968 56.287 -0.593 0.000 0.842 138 K CB 2.744 35.034 32.500 -0.350 0.000 1.392 138 K HN -0.101 nan 8.250 nan 0.000 0.436 139 V N 2.434 122.232 119.914 -0.194 0.000 2.614 139 V HA -0.002 4.119 4.120 0.002 0.000 0.291 139 V C 1.352 177.339 176.094 -0.179 0.000 1.049 139 V CA 0.348 62.662 62.300 0.023 0.000 1.038 139 V CB 1.044 32.950 31.823 0.139 0.000 0.980 139 V HN 1.089 nan 8.190 nan 0.000 0.481 140 T N 2.377 116.836 114.554 -0.158 0.000 2.967 140 T HA 0.193 4.544 4.350 0.002 0.000 0.238 140 T C 0.073 174.397 174.700 -0.627 0.000 1.024 140 T CA 0.441 62.328 62.100 -0.355 0.000 1.234 140 T CB 0.060 68.886 68.868 -0.070 0.000 0.931 140 T HN 0.390 nan 8.240 nan 0.000 0.417 141 Y N -0.050 120.210 120.300 -0.066 0.000 2.588 141 Y HA 0.681 5.232 4.550 0.002 0.000 0.343 141 Y C -0.820 174.900 175.900 -0.301 0.000 1.065 141 Y CA -1.574 56.360 58.100 -0.278 0.000 1.038 141 Y CB 1.717 39.818 38.460 -0.598 0.000 1.297 141 Y HN 0.160 nan 8.280 nan 0.000 0.467 142 L N 2.438 123.549 121.223 -0.187 0.000 2.307 142 L HA 0.560 4.901 4.340 0.002 0.000 0.284 142 L C -1.369 175.352 176.870 -0.249 0.000 1.023 142 L CA -0.459 54.327 54.840 -0.090 0.000 0.810 142 L CB 0.856 42.896 42.059 -0.032 0.000 1.231 142 L HN 0.436 nan 8.230 nan 0.000 0.423 143 F N 0.836 120.834 119.950 0.079 0.000 2.495 143 F HA 0.353 4.881 4.527 0.002 0.000 0.327 143 F C 0.055 175.847 175.800 -0.013 0.000 1.103 143 F CA -0.755 57.275 58.000 0.051 0.000 0.949 143 F CB 1.698 40.750 39.000 0.087 0.000 1.142 143 F HN 0.327 nan 8.300 nan 0.000 0.457 144 D N 1.301 121.784 120.400 0.138 0.000 2.461 144 D HA 0.197 4.838 4.640 0.002 0.000 0.240 144 D C 0.216 176.470 176.300 -0.077 0.000 1.094 144 D CA -0.306 53.706 54.000 0.021 0.000 0.868 144 D CB 1.124 41.931 40.800 0.012 0.000 1.062 144 D HN 0.603 nan 8.370 nan 0.000 0.530 145 T N 0.190 114.593 114.554 -0.252 0.000 3.248 145 T HA 0.205 4.556 4.350 0.002 0.000 0.271 145 T C 0.376 174.709 174.700 -0.611 0.000 1.005 145 T CA -0.621 61.028 62.100 -0.752 0.000 0.902 145 T CB -1.037 67.246 68.868 -0.976 0.000 1.102 145 T HN 0.556 nan 8.240 nan 0.000 0.548 146 N N 2.669 121.203 118.700 -0.276 0.000 2.725 146 N HA -0.202 4.539 4.740 0.002 0.000 0.251 146 N C -0.008 175.410 175.510 -0.154 0.000 1.031 146 N CA 0.557 53.504 53.050 -0.172 0.000 0.720 146 N CB -0.888 37.510 38.487 -0.148 0.000 0.930 146 N HN 0.726 nan 8.380 nan 0.000 0.543 147 E N -2.695 117.423 120.200 -0.136 0.000 3.916 147 E HA -0.277 4.074 4.350 0.002 0.000 0.331 147 E C -0.016 176.535 176.600 -0.082 0.000 0.729 147 E CA 1.154 57.506 56.400 -0.080 0.000 1.222 147 E CB -0.575 29.096 29.700 -0.047 0.000 1.633 147 E HN 0.598 nan 8.360 nan 0.000 0.437 148 E N 0.862 120.960 120.200 -0.169 0.000 2.289 148 E HA 0.190 4.541 4.350 0.002 0.000 0.278 148 E C 0.818 177.374 176.600 -0.073 0.000 1.032 148 E CA 1.015 57.345 56.400 -0.118 0.000 0.854 148 E CB 0.923 30.534 29.700 -0.148 0.000 1.046 148 E HN 0.215 nan 8.360 nan 0.000 0.409 149 T N 0.655 115.230 114.554 0.035 0.000 3.010 149 T HA 0.299 4.650 4.350 0.002 0.000 0.253 149 T C 1.578 176.358 174.700 0.134 0.000 0.939 149 T CA 0.308 62.493 62.100 0.142 0.000 0.910 149 T CB -0.158 68.856 68.868 0.244 0.000 1.226 149 T HN 0.296 nan 8.240 nan 0.000 0.508 150 A N 2.570 125.438 122.820 0.079 0.000 1.933 150 A HA 0.064 4.385 4.320 0.002 0.000 0.218 150 A C 2.402 180.035 177.584 0.082 0.000 1.175 150 A CA 1.970 54.047 52.037 0.067 0.000 0.628 150 A CB -0.852 18.175 19.000 0.045 0.000 0.814 150 A HN 0.814 nan 8.150 nan 0.000 0.444 151 S N -0.790 114.965 115.700 0.092 0.000 2.577 151 S HA 0.394 4.865 4.470 0.002 0.000 0.219 151 S C 0.285 174.942 174.600 0.095 0.000 0.962 151 S CA -0.544 57.712 58.200 0.093 0.000 0.921 151 S CB -0.611 62.650 63.200 0.101 0.000 0.789 151 S HN 0.335 nan 8.310 nan 0.000 0.497 152 L N 2.747 124.027 121.223 0.094 0.000 2.559 152 L HA 0.253 4.594 4.340 0.002 0.000 0.274 152 L C -0.051 176.848 176.870 0.047 0.000 1.205 152 L CA 0.230 55.080 54.840 0.017 0.000 0.907 152 L CB 0.057 42.138 42.059 0.036 0.000 1.153 152 L HN 0.227 nan 8.230 nan 0.000 0.490 153 D N 3.977 124.366 120.400 -0.019 0.000 2.402 153 D HA 0.280 4.921 4.640 0.002 0.000 0.252 153 D C -0.801 175.606 176.300 0.179 0.000 1.294 153 D CA -0.421 53.672 54.000 0.156 0.000 0.948 153 D CB 0.661 41.564 40.800 0.171 0.000 1.202 153 D HN 0.005 nan 8.370 nan 0.000 0.561 154 F N 1.452 121.455 119.950 0.088 0.000 2.443 154 F HA 0.222 4.750 4.527 0.002 0.000 0.353 154 F C 1.628 177.181 175.800 -0.411 0.000 1.101 154 F CA -0.327 57.600 58.000 -0.121 0.000 1.226 154 F CB 1.129 40.006 39.000 -0.205 0.000 1.140 154 F HN 0.127 nan 8.300 nan 0.000 0.557 155 S N 4.728 119.936 115.700 -0.820 0.000 2.568 155 S HA 0.107 4.578 4.470 0.002 0.000 0.282 155 S C -1.130 173.121 174.600 -0.580 0.000 1.338 155 S CA -1.191 56.075 58.200 -1.556 0.000 1.045 155 S CB 0.694 62.850 63.200 -1.740 0.000 0.873 155 S HN 0.484 nan 8.310 nan 0.000 0.516 156 P HA -0.046 nan 4.420 nan 0.000 0.225 156 P C 1.276 178.495 177.300 -0.136 0.000 1.148 156 P CA 0.665 63.672 63.100 -0.154 0.000 0.779 156 P CB -0.084 31.574 31.700 -0.070 0.000 0.780 157 V N -0.372 119.416 119.914 -0.210 0.000 2.871 157 V HA 0.037 4.158 4.120 0.002 0.000 0.256 157 V C 2.134 178.176 176.094 -0.087 0.000 1.082 157 V CA 1.669 63.889 62.300 -0.134 0.000 1.105 157 V CB -1.547 30.180 31.823 -0.160 0.000 0.713 157 V HN 0.329 nan 8.190 nan 0.000 0.473 158 G N 1.380 110.115 108.800 -0.109 0.000 2.179 158 G HA2 -0.291 3.670 3.960 0.002 0.000 0.260 158 G HA3 -0.291 3.670 3.960 0.002 0.000 0.260 158 G C 0.499 175.432 174.900 0.056 0.000 0.977 158 G CA 0.581 45.685 45.100 0.007 0.000 0.641 158 G HN 0.697 nan 8.290 nan 0.000 0.533 159 D N -0.620 119.693 120.400 -0.145 0.000 2.395 159 D HA 0.223 4.864 4.640 0.002 0.000 0.213 159 D C 0.874 177.095 176.300 -0.132 0.000 1.110 159 D CA -0.023 53.693 54.000 -0.473 0.000 0.835 159 D CB 0.314 40.707 40.800 -0.678 0.000 0.965 159 D HN 0.535 nan 8.370 nan 0.000 0.505 160 R N -0.609 119.909 120.500 0.030 0.000 2.740 160 R HA 0.654 4.995 4.340 0.002 0.000 0.273 160 R C -1.860 174.441 176.300 0.002 0.000 0.998 160 R CA -1.017 55.135 56.100 0.087 0.000 0.900 160 R CB 3.083 33.366 30.300 -0.030 0.000 1.223 160 R HN -0.032 nan 8.270 nan 0.000 0.466 161 V N 0.975 120.926 119.914 0.062 0.000 2.733 161 V HA 0.774 4.895 4.120 0.002 0.000 0.306 161 V C -1.261 174.922 176.094 0.148 0.000 1.084 161 V CA -0.420 61.767 62.300 -0.188 0.000 0.905 161 V CB 1.861 33.110 31.823 -0.957 0.000 1.010 161 V HN 0.945 nan 8.190 nan 0.000 0.424 162 A N 6.063 129.017 122.820 0.223 0.000 2.303 162 A HA 1.016 5.337 4.320 0.002 0.000 0.317 162 A C -1.060 176.577 177.584 0.089 0.000 1.149 162 A CA -0.213 51.873 52.037 0.082 0.000 0.822 162 A CB 1.046 19.994 19.000 -0.087 0.000 1.131 162 A HN 1.896 nan 8.150 nan 0.000 0.493 163 Y N -1.744 118.523 120.300 -0.054 0.000 2.677 163 Y HA 0.621 5.172 4.550 0.002 0.000 0.334 163 Y C -1.472 174.443 175.900 0.026 0.000 1.196 163 Y CA -1.429 56.651 58.100 -0.034 0.000 1.059 163 Y CB 0.659 39.088 38.460 -0.052 0.000 1.315 163 Y HN 0.451 nan 8.280 nan 0.000 0.455 164 V N 2.956 122.976 119.914 0.176 0.000 2.459 164 V HA 0.697 4.818 4.120 0.002 0.000 0.295 164 V C -0.548 175.688 176.094 0.237 0.000 1.029 164 V CA -0.735 61.641 62.300 0.126 0.000 0.874 164 V CB 1.556 33.429 31.823 0.084 0.000 0.985 164 V HN 0.819 nan 8.190 nan 0.000 0.438 165 R N 3.802 124.446 120.500 0.240 0.000 2.533 165 R HA 0.360 4.701 4.340 0.002 0.000 0.288 165 R C -0.523 175.849 176.300 0.121 0.000 1.039 165 R CA -0.546 55.648 56.100 0.157 0.000 0.909 165 R CB 1.046 31.419 30.300 0.122 0.000 1.195 165 R HN 0.809 nan 8.270 nan 0.000 0.438 166 N N 4.774 123.458 118.700 -0.026 0.000 2.714 166 N HA -0.218 4.523 4.740 0.002 0.000 0.253 166 N C -0.521 174.963 175.510 -0.044 0.000 1.024 166 N CA 1.618 54.593 53.050 -0.125 0.000 0.726 166 N CB -0.948 37.543 38.487 0.005 0.000 0.908 166 N HN 0.924 nan 8.380 nan 0.000 0.542 167 H N -4.216 114.920 119.070 0.110 0.000 3.898 167 H HA -0.173 4.384 4.556 0.002 0.000 0.171 167 H C 0.175 175.573 175.328 0.117 0.000 0.920 167 H CA 1.448 57.559 56.048 0.106 0.000 1.238 167 H CB -1.085 28.731 29.762 0.090 0.000 0.997 167 H HN 0.509 nan 8.280 nan 0.000 0.380 168 N N 0.620 119.419 118.700 0.167 0.000 2.335 168 N HA 0.377 5.118 4.740 0.002 0.000 0.304 168 N C -0.217 175.151 175.510 -0.236 0.000 1.135 168 N CA -0.794 52.209 53.050 -0.078 0.000 0.817 168 N CB 2.370 40.708 38.487 -0.249 0.000 1.294 168 N HN 0.016 nan 8.380 nan 0.000 0.497 169 L N 2.120 123.020 121.223 -0.537 0.000 2.305 169 L HA 0.409 4.750 4.340 0.002 0.000 0.281 169 L C -1.352 174.975 176.870 -0.906 0.000 1.085 169 L CA 0.056 54.536 54.840 -0.599 0.000 0.813 169 L CB -0.167 41.462 42.059 -0.718 0.000 1.157 169 L HN 0.400 nan 8.230 nan 0.000 0.436 170 Y N 4.465 124.341 120.300 -0.707 0.000 2.576 170 Y HA 0.647 5.198 4.550 0.002 0.000 0.346 170 Y C -0.396 175.125 175.900 -0.631 0.000 1.018 170 Y CA -0.788 56.873 58.100 -0.732 0.000 1.050 170 Y CB 1.783 39.671 38.460 -0.953 0.000 1.280 170 Y HN 0.357 nan 8.280 nan 0.000 0.474 171 I N 1.993 122.444 120.570 -0.200 0.000 2.447 171 I HA 0.646 4.817 4.170 0.002 0.000 0.287 171 I C -0.812 175.385 176.117 0.133 0.000 1.023 171 I CA -0.832 60.462 61.300 -0.010 0.000 1.083 171 I CB 1.576 39.591 38.000 0.025 0.000 1.245 171 I HN 0.691 nan 8.210 nan 0.000 0.434 172 A N 6.587 129.557 122.820 0.251 0.000 2.317 172 A HA 0.712 5.033 4.320 0.002 0.000 0.327 172 A C -0.440 177.293 177.584 0.247 0.000 1.178 172 A CA -0.626 51.575 52.037 0.273 0.000 0.817 172 A CB 1.152 20.371 19.000 0.365 0.000 1.189 172 A HN 0.796 nan 8.150 nan 0.000 0.489 173 R N 2.027 122.622 120.500 0.158 0.000 2.312 173 R HA 0.497 4.838 4.340 0.002 0.000 0.311 173 R C 0.536 176.805 176.300 -0.051 0.000 1.004 173 R CA -0.024 56.119 56.100 0.072 0.000 0.902 173 R CB 1.063 31.381 30.300 0.030 0.000 1.073 173 R HN 0.904 nan 8.270 nan 0.000 0.457 174 G N 1.395 110.017 108.800 -0.296 0.000 2.491 174 G HA2 0.350 4.311 3.960 0.002 0.000 0.242 174 G HA3 0.350 4.311 3.960 0.002 0.000 0.242 174 G C -0.405 174.349 174.900 -0.244 0.000 1.266 174 G CA -0.351 44.285 45.100 -0.774 0.000 0.844 174 G HN 0.688 nan 8.290 nan 0.000 0.571 175 G N 0.597 109.308 108.800 -0.150 0.000 2.470 175 G HA2 0.536 4.497 3.960 0.002 0.000 0.320 175 G HA3 0.536 4.497 3.960 0.002 0.000 0.320 175 G C -0.225 174.686 174.900 0.018 0.000 1.245 175 G CA -0.727 44.371 45.100 -0.003 0.000 0.935 175 G HN 0.565 nan 8.290 nan 0.000 0.476 176 K N 1.404 121.815 120.400 0.018 0.000 2.237 176 K HA 0.218 4.539 4.320 0.002 0.000 0.270 176 K C 0.427 176.986 176.600 -0.069 0.000 1.015 176 K CA -0.412 55.816 56.287 -0.097 0.000 0.949 176 K CB 1.391 33.818 32.500 -0.123 0.000 0.976 176 K HN 0.354 nan 8.250 nan 0.000 0.472 177 L N 1.969 123.142 121.223 -0.082 0.000 2.706 177 L HA -0.167 4.174 4.340 0.002 0.000 0.282 177 L C 1.330 178.179 176.870 -0.036 0.000 1.219 177 L CA 0.821 55.633 54.840 -0.048 0.000 0.935 177 L CB -0.488 41.545 42.059 -0.043 0.000 1.204 177 L HN 1.073 nan 8.230 nan 0.000 0.491 178 G N 1.829 110.615 108.800 -0.023 0.000 2.203 178 G HA2 -0.352 3.609 3.960 0.002 0.000 0.263 178 G HA3 -0.352 3.609 3.960 0.002 0.000 0.263 178 G C 0.462 175.353 174.900 -0.016 0.000 1.012 178 G CA 0.794 45.884 45.100 -0.017 0.000 0.749 178 G HN 0.859 nan 8.290 nan 0.000 0.512 179 E N -0.718 119.472 120.200 -0.017 0.000 2.498 179 E HA 0.569 4.920 4.350 0.002 0.000 0.203 179 E C 1.962 178.560 176.600 -0.003 0.000 1.013 179 E CA 1.226 57.620 56.400 -0.011 0.000 0.927 179 E CB -0.042 29.651 29.700 -0.011 0.000 1.012 179 E HN 2.520 nan 8.360 nan 0.000 0.482 180 G N 0.327 109.124 108.800 -0.005 0.000 2.712 180 G HA2 0.030 3.991 3.960 0.002 0.000 0.686 180 G HA3 0.030 3.991 3.960 0.002 0.000 0.686 180 G C -0.198 174.702 174.900 -0.001 0.000 1.321 180 G CA -0.200 44.900 45.100 -0.001 0.000 0.813 180 G HN 0.306 nan 8.290 nan 0.000 0.599 181 M N 0.264 119.864 119.600 0.001 0.000 2.598 181 M HA 0.759 5.240 4.480 0.002 0.000 0.317 181 M C 0.553 176.860 176.300 0.011 0.000 1.201 181 M CA -0.846 54.455 55.300 0.002 0.000 0.971 181 M CB 1.646 34.247 32.600 0.001 0.000 1.657 181 M HN 0.874 nan 8.290 nan 0.000 0.470 182 S N 0.438 116.149 115.700 0.017 0.000 2.536 182 S HA 0.543 5.014 4.470 0.002 0.000 0.298 182 S C -0.603 174.021 174.600 0.040 0.000 1.083 182 S CA -0.810 57.407 58.200 0.028 0.000 0.995 182 S CB 1.720 64.939 63.200 0.031 0.000 1.058 182 S HN 0.682 nan 8.310 nan 0.000 0.488 183 R N 2.469 122.995 120.500 0.042 0.000 2.442 183 R HA 0.466 4.807 4.340 0.002 0.000 0.291 183 R C 0.418 176.763 176.300 0.074 0.000 1.069 183 R CA -0.076 56.054 56.100 0.051 0.000 1.022 183 R CB 0.284 30.611 30.300 0.044 0.000 0.976 183 R HN 0.759 nan 8.270 nan 0.000 0.443 184 A N 4.947 127.826 122.820 0.098 0.000 2.492 184 A HA 0.142 4.463 4.320 0.002 0.000 0.236 184 A C 0.206 177.866 177.584 0.126 0.000 1.078 184 A CA 0.053 52.172 52.037 0.137 0.000 0.773 184 A CB 0.202 19.321 19.000 0.198 0.000 1.023 184 A HN 0.763 nan 8.150 nan 0.000 0.504 185 I N 0.673 121.298 120.570 0.092 0.000 2.392 185 I HA 0.430 4.601 4.170 0.002 0.000 0.295 185 I C 0.667 176.726 176.117 -0.096 0.000 0.985 185 I CA -0.280 61.029 61.300 0.016 0.000 1.221 185 I CB 1.770 39.766 38.000 -0.006 0.000 1.366 185 I HN 0.671 nan 8.210 nan 0.000 0.467 186 A N 6.032 128.746 122.820 -0.176 0.000 2.316 186 A HA 0.378 4.699 4.320 0.002 0.000 0.311 186 A C 0.887 178.109 177.584 -0.604 0.000 1.339 186 A CA -0.441 51.273 52.037 -0.540 0.000 0.960 186 A CB 0.430 19.204 19.000 -0.376 0.000 1.152 186 A HN 0.652 nan 8.150 nan 0.000 0.547 187 V N 2.449 121.865 119.914 -0.831 0.000 2.427 187 V HA -0.054 4.067 4.120 0.002 0.000 0.248 187 V C 1.552 177.219 176.094 -0.712 0.000 1.051 187 V CA 2.247 64.006 62.300 -0.900 0.000 1.048 187 V CB -0.943 30.212 31.823 -1.114 0.000 0.666 187 V HN 0.977 nan 8.190 nan 0.000 0.456 188 T N -2.062 112.015 114.554 -0.796 0.000 2.906 188 T HA 0.676 5.027 4.350 0.002 0.000 0.295 188 T C 0.074 174.460 174.700 -0.523 0.000 1.075 188 T CA -0.192 61.478 62.100 -0.716 0.000 1.005 188 T CB 2.525 70.664 68.868 -1.215 0.000 1.136 188 T HN 0.214 nan 8.240 nan 0.000 0.498 189 I N -1.722 118.657 120.570 -0.319 0.000 4.670 189 I HA 0.389 4.560 4.170 0.002 0.000 0.339 189 I C 0.399 176.487 176.117 -0.049 0.000 1.310 189 I CA -0.415 60.786 61.300 -0.165 0.000 1.288 189 I CB 0.640 38.576 38.000 -0.106 0.000 1.427 189 I HN 0.595 nan 8.210 nan 0.000 0.494 190 D N 1.873 122.269 120.400 -0.007 0.000 2.463 190 D HA 0.209 4.850 4.640 0.002 0.000 0.224 190 D C 0.854 177.264 176.300 0.185 0.000 1.174 190 D CA -0.185 53.868 54.000 0.088 0.000 0.829 190 D CB 0.010 40.865 40.800 0.092 0.000 0.993 190 D HN 0.269 nan 8.370 nan 0.000 0.497 191 G N -0.311 108.631 108.800 0.237 0.000 2.491 191 G HA2 0.427 4.388 3.960 0.002 0.000 0.238 191 G HA3 0.427 4.388 3.960 0.002 0.000 0.238 191 G C -0.193 174.721 174.900 0.023 0.000 1.277 191 G CA 0.249 45.516 45.100 0.277 0.000 0.851 191 G HN 0.203 nan 8.290 nan 0.000 0.573 192 T N -0.330 114.100 114.554 -0.207 0.000 2.731 192 T HA 0.249 4.600 4.350 0.002 0.000 0.300 192 T C 1.267 175.600 174.700 -0.611 0.000 1.283 192 T CA -0.080 61.723 62.100 -0.495 0.000 1.005 192 T CB 1.636 70.361 68.868 -0.239 0.000 1.420 192 T HN 0.689 nan 8.240 nan 0.000 0.503 193 E N 0.318 120.214 120.200 -0.508 0.000 2.204 193 E HA -0.146 4.205 4.350 0.002 0.000 0.195 193 E C 1.304 177.692 176.600 -0.354 0.000 0.990 193 E CA 1.859 58.102 56.400 -0.261 0.000 0.821 193 E CB -0.342 29.341 29.700 -0.027 0.000 0.750 193 E HN 0.668 nan 8.360 nan 0.000 0.477 194 T N -1.426 112.888 114.554 -0.400 0.000 3.105 194 T HA 0.287 4.638 4.350 0.002 0.000 0.253 194 T C 0.053 174.529 174.700 -0.372 0.000 1.047 194 T CA -0.533 61.245 62.100 -0.536 0.000 0.944 194 T CB 0.337 68.952 68.868 -0.423 0.000 1.016 194 T HN 0.083 nan 8.240 nan 0.000 0.544 195 L N 2.057 123.092 121.223 -0.314 0.000 2.529 195 L HA 0.578 4.919 4.340 0.002 0.000 0.260 195 L C -1.221 175.451 176.870 -0.330 0.000 0.997 195 L CA -0.897 53.753 54.840 -0.317 0.000 0.885 195 L CB 1.680 43.585 42.059 -0.256 0.000 1.185 195 L HN 0.027 nan 8.230 nan 0.000 0.442 196 V N 4.759 124.480 119.914 -0.322 0.000 2.427 196 V HA 0.457 4.578 4.120 0.002 0.000 0.286 196 V C -0.603 175.355 176.094 -0.227 0.000 1.034 196 V CA -0.495 61.693 62.300 -0.187 0.000 0.893 196 V CB 1.161 32.922 31.823 -0.103 0.000 0.982 196 V HN 0.521 nan 8.190 nan 0.000 0.452 197 Y N 1.391 121.728 120.300 0.062 0.000 2.429 197 Y HA 0.598 5.149 4.550 0.002 0.000 0.342 197 Y C 1.246 177.180 175.900 0.056 0.000 1.004 197 Y CA 0.146 58.295 58.100 0.082 0.000 1.075 197 Y CB 2.083 40.520 38.460 -0.037 0.000 1.214 197 Y HN 0.859 nan 8.280 nan 0.000 0.455 198 G N 1.872 110.865 108.800 0.321 0.000 2.203 198 G HA2 -0.224 3.737 3.960 0.002 0.000 0.263 198 G HA3 -0.224 3.737 3.960 0.002 0.000 0.263 198 G C -0.232 174.755 174.900 0.144 0.000 1.012 198 G CA -0.042 45.167 45.100 0.182 0.000 0.749 198 G HN 0.453 nan 8.290 nan 0.000 0.512 199 Q N -0.803 119.107 119.800 0.183 0.000 2.359 199 Q HA 0.731 5.072 4.340 0.002 0.000 0.275 199 Q C 0.479 176.584 176.000 0.175 0.000 1.082 199 Q CA -0.238 55.646 55.803 0.135 0.000 0.849 199 Q CB 1.818 30.609 28.738 0.088 0.000 1.377 199 Q HN 0.750 nan 8.270 nan 0.000 0.452 200 A N 0.830 123.730 122.820 0.134 0.000 2.520 200 A HA 0.375 4.696 4.320 0.002 0.000 0.235 200 A C 0.353 177.916 177.584 -0.035 0.000 1.065 200 A CA -0.056 52.059 52.037 0.130 0.000 0.764 200 A CB 0.001 19.069 19.000 0.112 0.000 1.002 200 A HN 0.522 nan 8.150 nan 0.000 0.502 201 V N -1.800 117.997 119.914 -0.196 0.000 3.119 201 V HA 0.653 4.774 4.120 0.002 0.000 0.311 201 V C 0.299 176.275 176.094 -0.197 0.000 1.259 201 V CA -0.597 61.437 62.300 -0.443 0.000 1.067 201 V CB 0.987 32.213 31.823 -0.996 0.000 1.123 201 V HN 1.134 nan 8.190 nan 0.000 0.463 202 H N 0.681 119.781 119.070 0.051 0.000 2.713 202 H HA -0.142 4.415 4.556 0.002 0.000 0.311 202 H C 0.712 176.091 175.328 0.086 0.000 1.175 202 H CA 1.053 57.254 56.048 0.255 0.000 1.143 202 H CB -1.748 28.159 29.762 0.241 0.000 1.434 202 H HN 0.940 nan 8.280 nan 0.000 0.418 203 Q N -1.014 118.881 119.800 0.159 0.000 2.461 203 Q HA -0.286 4.055 4.340 0.002 0.000 0.264 203 Q C 0.700 176.723 176.000 0.038 0.000 1.085 203 Q CA 1.386 57.217 55.803 0.046 0.000 1.006 203 Q CB -1.205 27.504 28.738 -0.048 0.000 1.437 203 Q HN 0.872 nan 8.270 nan 0.000 0.514 204 R N -1.258 119.284 120.500 0.070 0.000 3.770 204 R HA -0.177 4.164 4.340 0.002 0.000 0.305 204 R C 0.104 176.424 176.300 0.033 0.000 1.184 204 R CA 1.238 57.384 56.100 0.076 0.000 0.823 204 R CB -0.895 29.443 30.300 0.064 0.000 1.285 204 R HN 0.301 nan 8.270 nan 0.000 0.499 205 E N 0.144 120.324 120.200 -0.032 0.000 2.322 205 E HA 0.240 4.591 4.350 0.002 0.000 0.257 205 E C 0.768 177.269 176.600 -0.165 0.000 1.155 205 E CA -0.671 55.547 56.400 -0.304 0.000 0.936 205 E CB 0.127 29.362 29.700 -0.775 0.000 1.130 205 E HN 0.149 nan 8.360 nan 0.000 0.465 206 F N -0.346 119.617 119.950 0.022 0.000 3.093 206 F HA -0.255 4.273 4.527 0.002 0.000 0.287 206 F C 1.199 177.030 175.800 0.051 0.000 0.882 206 F CA 0.568 58.591 58.000 0.039 0.000 1.063 206 F CB -2.075 36.959 39.000 0.056 0.000 1.097 206 F HN 0.717 nan 8.300 nan 0.000 0.604 207 G N -0.196 108.673 108.800 0.116 0.000 2.184 207 G HA2 -0.353 3.608 3.960 0.002 0.000 0.264 207 G HA3 -0.353 3.608 3.960 0.002 0.000 0.264 207 G C 0.200 175.212 174.900 0.186 0.000 0.975 207 G CA 0.055 45.210 45.100 0.092 0.000 0.642 207 G HN 0.558 nan 8.290 nan 0.000 0.536 208 I N 1.431 122.149 120.570 0.246 0.000 2.452 208 I HA 0.279 4.450 4.170 0.002 0.000 0.287 208 I C 1.350 177.607 176.117 0.234 0.000 1.079 208 I CA 0.718 62.207 61.300 0.314 0.000 1.387 208 I CB 0.721 38.935 38.000 0.356 0.000 1.404 208 I HN 0.495 nan 8.210 nan 0.000 0.522 209 E N 6.459 126.804 120.200 0.241 0.000 2.641 209 E HA 0.202 4.553 4.350 0.002 0.000 0.224 209 E C -0.305 176.382 176.600 0.145 0.000 0.951 209 E CA -0.510 55.989 56.400 0.165 0.000 1.102 209 E CB 0.591 30.374 29.700 0.138 0.000 1.091 209 E HN 0.686 nan 8.360 nan 0.000 0.507 210 K N -1.242 119.265 120.400 0.178 0.000 2.556 210 K HA 0.570 4.891 4.320 0.002 0.000 0.289 210 K C -0.193 176.483 176.600 0.126 0.000 1.040 210 K CA -0.770 55.565 56.287 0.080 0.000 0.894 210 K CB 1.085 33.557 32.500 -0.047 0.000 1.547 210 K HN -0.035 nan 8.250 nan 0.000 0.417 211 G N 0.452 109.259 108.800 0.012 0.000 3.839 211 G HA2 0.216 4.177 3.960 0.002 0.000 0.286 211 G HA3 0.216 4.177 3.960 0.002 0.000 0.286 211 G C -0.642 174.171 174.900 -0.145 0.000 1.005 211 G CA 0.091 45.288 45.100 0.160 0.000 0.824 211 G HN 0.725 nan 8.290 nan 0.000 0.489 212 T N -1.515 112.679 114.554 -0.601 0.000 2.861 212 T HA 0.726 5.077 4.350 0.002 0.000 0.287 212 T C -1.262 172.902 174.700 -0.893 0.000 1.003 212 T CA -0.827 60.979 62.100 -0.490 0.000 0.977 212 T CB 1.803 70.491 68.868 -0.300 0.000 0.996 212 T HN -0.014 nan 8.240 nan 0.000 0.448 213 F N 1.177 121.130 119.950 0.005 0.000 2.716 213 F HA 0.447 4.975 4.527 0.002 0.000 0.354 213 F C -0.614 175.334 175.800 0.247 0.000 1.168 213 F CA -1.433 56.674 58.000 0.179 0.000 1.045 213 F CB 0.860 39.989 39.000 0.214 0.000 1.311 213 F HN 0.610 nan 8.300 nan 0.000 0.477 214 W N 2.203 123.636 121.300 0.221 0.000 2.181 214 W HA 0.393 5.054 4.660 0.002 0.000 0.335 214 W C 0.815 177.135 176.519 -0.332 0.000 1.310 214 W CA -0.151 57.193 57.345 -0.001 0.000 1.226 214 W CB 0.881 30.328 29.460 -0.021 0.000 1.155 214 W HN 0.503 nan 8.180 nan 0.000 0.565 215 S N 2.634 117.985 115.700 -0.581 0.000 2.592 215 S HA 0.192 4.663 4.470 0.002 0.000 0.271 215 S C -1.766 172.583 174.600 -0.418 0.000 1.326 215 S CA -1.095 56.286 58.200 -1.365 0.000 1.024 215 S CB 1.214 63.414 63.200 -1.667 0.000 0.921 215 S HN 0.290 nan 8.310 nan 0.000 0.527 216 P HA -0.145 nan 4.420 nan 0.000 0.218 216 P C 0.540 177.798 177.300 -0.069 0.000 1.152 216 P CA 1.573 64.635 63.100 -0.063 0.000 0.857 216 P CB 0.006 31.701 31.700 -0.009 0.000 0.787 217 K N -2.275 118.061 120.400 -0.107 0.000 2.372 217 K HA 0.331 4.652 4.320 0.002 0.000 0.200 217 K C 1.050 177.599 176.600 -0.084 0.000 1.022 217 K CA 0.509 56.750 56.287 -0.077 0.000 1.125 217 K CB -0.053 32.412 32.500 -0.059 0.000 0.855 217 K HN 0.075 nan 8.250 nan 0.000 0.524 218 G N 1.256 110.004 108.800 -0.087 0.000 2.153 218 G HA2 -0.303 3.658 3.960 0.002 0.000 0.252 218 G HA3 -0.303 3.658 3.960 0.002 0.000 0.252 218 G C 0.836 175.780 174.900 0.074 0.000 0.994 218 G CA 0.737 45.821 45.100 -0.027 0.000 0.698 218 G HN 0.323 nan 8.290 nan 0.000 0.521 219 S N -1.368 114.320 115.700 -0.021 0.000 2.436 219 S HA 0.177 4.648 4.470 0.002 0.000 0.228 219 S C 1.151 175.734 174.600 -0.030 0.000 1.014 219 S CA 1.069 59.260 58.200 -0.015 0.000 0.950 219 S CB 0.239 63.409 63.200 -0.050 0.000 0.784 219 S HN 0.821 nan 8.310 nan 0.000 0.504 220 C N 0.693 119.915 119.300 -0.130 0.000 3.080 220 C HA 0.793 5.254 4.460 0.002 0.000 0.307 220 C C -0.842 174.071 174.990 -0.129 0.000 1.311 220 C CA -1.164 57.739 59.018 -0.192 0.000 1.533 220 C CB 1.384 28.916 27.740 -0.347 0.000 1.970 220 C HN 0.389 nan 8.230 nan 0.000 0.467 221 L N 2.214 123.374 121.223 -0.106 0.000 2.406 221 L HA 0.765 5.106 4.340 0.002 0.000 0.270 221 L C 0.039 176.976 176.870 0.112 0.000 0.982 221 L CA -0.069 54.622 54.840 -0.248 0.000 0.843 221 L CB 0.809 42.493 42.059 -0.626 0.000 1.225 221 L HN 0.925 nan 8.230 nan 0.000 0.412 222 A N 4.523 127.507 122.820 0.273 0.000 2.302 222 A HA 0.845 5.166 4.320 0.002 0.000 0.285 222 A C -0.878 176.829 177.584 0.205 0.000 1.105 222 A CA -0.219 51.921 52.037 0.171 0.000 0.816 222 A CB 0.335 19.436 19.000 0.168 0.000 1.067 222 A HN 0.845 nan 8.150 nan 0.000 0.489 223 F N -1.567 118.371 119.950 -0.021 0.000 2.693 223 F HA 0.629 5.157 4.527 0.002 0.000 0.309 223 F C -1.355 174.469 175.800 0.040 0.000 1.129 223 F CA -1.484 56.514 58.000 -0.002 0.000 0.948 223 F CB 0.796 39.771 39.000 -0.043 0.000 1.315 223 F HN 0.509 nan 8.300 nan 0.000 0.447 224 Y N 1.167 121.683 120.300 0.359 0.000 2.301 224 Y HA 0.555 5.106 4.550 0.002 0.000 0.325 224 Y C 0.343 176.432 175.900 0.315 0.000 1.203 224 Y CA -0.773 57.456 58.100 0.214 0.000 1.255 224 Y CB 1.445 39.993 38.460 0.146 0.000 1.232 224 Y HN 0.652 nan 8.280 nan 0.000 0.501 225 R N 4.657 125.380 120.500 0.373 0.000 2.422 225 R HA 0.397 4.738 4.340 0.002 0.000 0.307 225 R C -1.642 174.634 176.300 -0.040 0.000 1.004 225 R CA -0.596 55.593 56.100 0.148 0.000 0.882 225 R CB 0.841 31.351 30.300 0.350 0.000 1.164 225 R HN 0.841 nan 8.270 nan 0.000 0.489 226 M N 4.464 123.951 119.600 -0.189 0.000 2.072 226 M HA 0.234 4.715 4.480 0.002 0.000 0.331 226 M C -1.256 174.905 176.300 -0.232 0.000 1.004 226 M CA -0.583 54.585 55.300 -0.221 0.000 0.952 226 M CB 1.241 33.636 32.600 -0.341 0.000 1.511 226 M HN 0.461 nan 8.290 nan 0.000 0.422 227 D N 4.610 124.921 120.400 -0.147 0.000 2.380 227 D HA 0.113 4.754 4.640 0.002 0.000 0.230 227 D C -0.149 176.062 176.300 -0.148 0.000 1.154 227 D CA 0.026 53.930 54.000 -0.160 0.000 0.859 227 D CB 0.953 41.693 40.800 -0.100 0.000 1.045 227 D HN 0.765 nan 8.370 nan 0.000 0.495 228 Q N 1.725 121.398 119.800 -0.212 0.000 2.186 228 Q HA 0.118 4.459 4.340 0.002 0.000 0.241 228 Q C 0.633 176.502 176.000 -0.219 0.000 0.849 228 Q CA -0.357 55.347 55.803 -0.165 0.000 1.053 228 Q CB 0.172 28.807 28.738 -0.172 0.000 1.146 228 Q HN 0.312 nan 8.270 nan 0.000 0.475 229 S N 0.994 116.569 115.700 -0.208 0.000 2.474 229 S HA -0.116 4.355 4.470 0.002 0.000 0.235 229 S C 1.858 176.427 174.600 -0.051 0.000 0.997 229 S CA 0.653 58.770 58.200 -0.137 0.000 0.949 229 S CB -0.227 62.900 63.200 -0.123 0.000 0.766 229 S HN 0.602 nan 8.310 nan 0.000 0.517 230 M N 0.714 120.259 119.600 -0.090 0.000 2.495 230 M HA 0.369 4.850 4.480 0.002 0.000 0.237 230 M C -0.123 176.182 176.300 0.009 0.000 1.131 230 M CA 0.053 55.314 55.300 -0.064 0.000 1.032 230 M CB -1.055 31.448 32.600 -0.163 0.000 1.513 230 M HN 0.008 nan 8.290 nan 0.000 0.488 231 V N 2.788 122.753 119.914 0.085 0.000 2.432 231 V HA 0.254 4.375 4.120 0.002 0.000 0.275 231 V C 0.264 176.479 176.094 0.200 0.000 1.043 231 V CA -0.644 61.752 62.300 0.160 0.000 0.925 231 V CB 1.143 33.115 31.823 0.248 0.000 0.985 231 V HN 0.357 nan 8.190 nan 0.000 0.466 232 K N 8.072 128.530 120.400 0.098 0.000 2.338 232 K HA 0.277 4.598 4.320 0.002 0.000 0.290 232 K C -2.100 174.485 176.600 -0.024 0.000 1.069 232 K CA -1.268 55.042 56.287 0.039 0.000 0.941 232 K CB 0.718 33.230 32.500 0.021 0.000 1.023 232 K HN 0.474 nan 8.250 nan 0.000 0.477 233 P HA 0.088 nan 4.420 nan 0.000 0.274 233 P C -0.870 176.321 177.300 -0.181 0.000 1.246 233 P CA -0.409 62.476 63.100 -0.358 0.000 0.795 233 P CB 1.109 32.296 31.700 -0.854 0.000 1.006 234 T N 2.486 116.950 114.554 -0.149 0.000 2.797 234 T HA 0.423 4.774 4.350 0.002 0.000 0.279 234 T C -2.445 172.205 174.700 -0.083 0.000 0.991 234 T CA -1.450 60.598 62.100 -0.087 0.000 0.979 234 T CB 1.217 70.047 68.868 -0.063 0.000 0.943 234 T HN 0.372 nan 8.240 nan 0.000 0.444 235 P HA 0.332 nan 4.420 nan 0.000 0.281 235 P C -0.988 176.319 177.300 0.011 0.000 1.252 235 P CA -0.487 62.592 63.100 -0.035 0.000 0.778 235 P CB 0.688 32.368 31.700 -0.032 0.000 0.895 236 I N 4.551 125.126 120.570 0.009 0.000 2.354 236 I HA 0.206 4.377 4.170 0.002 0.000 0.286 236 I C 0.159 176.275 176.117 -0.003 0.000 1.007 236 I CA -0.871 60.451 61.300 0.037 0.000 1.167 236 I CB 1.615 39.636 38.000 0.035 0.000 1.320 236 I HN 0.064 nan 8.210 nan 0.000 0.458 237 V N 5.423 125.334 119.914 -0.006 0.000 2.394 237 V HA 0.265 4.386 4.120 0.002 0.000 0.282 237 V C -0.024 175.900 176.094 -0.283 0.000 1.031 237 V CA -0.682 61.497 62.300 -0.203 0.000 0.881 237 V CB 1.995 33.589 31.823 -0.382 0.000 0.982 237 V HN 0.619 nan 8.190 nan 0.000 0.451 238 D N 2.878 123.113 120.400 -0.276 0.000 2.359 238 D HA 0.251 4.892 4.640 0.002 0.000 0.230 238 D C 0.071 176.186 176.300 -0.308 0.000 1.118 238 D CA -0.167 53.729 54.000 -0.173 0.000 0.844 238 D CB 0.841 41.611 40.800 -0.049 0.000 1.059 238 D HN 0.503 nan 8.370 nan 0.000 0.493 239 Y N 2.087 122.296 120.300 -0.152 0.000 2.490 239 Y HA 0.035 4.586 4.550 0.002 0.000 0.281 239 Y C 1.871 177.633 175.900 -0.231 0.000 1.174 239 Y CA 0.083 58.073 58.100 -0.183 0.000 1.295 239 Y CB 0.233 38.570 38.460 -0.205 0.000 1.062 239 Y HN 0.586 nan 8.280 nan 0.000 0.522 240 H N -0.771 118.352 119.070 0.088 0.000 2.403 240 H HA 0.077 4.634 4.556 0.002 0.000 0.298 240 H C -1.236 174.114 175.328 0.036 0.000 1.059 240 H CA 0.411 56.493 56.048 0.056 0.000 1.363 240 H CB -1.369 28.410 29.762 0.029 0.000 1.410 240 H HN 0.248 nan 8.280 nan 0.000 0.528 241 P HA -0.070 nan 4.420 nan 0.000 0.271 241 P C 1.280 178.613 177.300 0.056 0.000 1.233 241 P CA -0.168 62.972 63.100 0.068 0.000 0.789 241 P CB 0.902 32.623 31.700 0.034 0.000 0.951 242 L N 0.769 122.019 121.223 0.045 0.000 1.978 242 L HA -0.182 4.159 4.340 0.002 0.000 0.218 242 L C 0.321 177.214 176.870 0.038 0.000 1.075 242 L CA 2.099 56.963 54.840 0.040 0.000 0.767 242 L CB -0.912 41.165 42.059 0.030 0.000 0.890 242 L HN 0.397 nan 8.230 nan 0.000 0.434 243 E N -0.036 120.178 120.200 0.025 0.000 2.175 243 E HA 0.551 4.902 4.350 0.002 0.000 0.278 243 E C -0.007 176.590 176.600 -0.005 0.000 0.969 243 E CA 0.121 56.531 56.400 0.017 0.000 0.796 243 E CB 1.153 30.859 29.700 0.009 0.000 1.104 243 E HN 0.421 nan 8.360 nan 0.000 0.395 244 A N 3.471 126.280 122.820 -0.019 0.000 2.520 244 A HA 0.090 4.411 4.320 0.002 0.000 0.235 244 A C -0.193 177.311 177.584 -0.133 0.000 1.065 244 A CA 0.181 52.140 52.037 -0.131 0.000 0.764 244 A CB 0.179 19.026 19.000 -0.255 0.000 1.002 244 A HN 0.652 nan 8.150 nan 0.000 0.502 245 E N 0.858 120.960 120.200 -0.162 0.000 2.224 245 E HA 0.450 4.801 4.350 0.002 0.000 0.265 245 E C -0.637 175.888 176.600 -0.124 0.000 0.878 245 E CA -0.548 55.790 56.400 -0.104 0.000 0.759 245 E CB 1.869 31.538 29.700 -0.052 0.000 1.164 245 E HN 0.722 nan 8.360 nan 0.000 0.414 246 S N 2.796 118.442 115.700 -0.090 0.000 2.608 246 S HA 0.574 5.045 4.470 0.002 0.000 0.291 246 S C -0.362 174.218 174.600 -0.033 0.000 1.146 246 S CA -0.889 57.267 58.200 -0.073 0.000 1.043 246 S CB 1.759 64.922 63.200 -0.063 0.000 1.037 246 S HN 0.483 nan 8.310 nan 0.000 0.520 247 K N 1.559 121.947 120.400 -0.021 0.000 2.482 247 K HA 0.513 4.834 4.320 0.002 0.000 0.251 247 K C -3.101 173.492 176.600 -0.011 0.000 0.936 247 K CA -2.092 54.199 56.287 0.006 0.000 0.791 247 K CB 2.009 34.526 32.500 0.029 0.000 1.213 247 K HN 0.467 nan 8.250 nan 0.000 0.428 248 P HA 0.086 nan 4.420 nan 0.000 0.276 248 P C -1.156 176.054 177.300 -0.150 0.000 1.235 248 P CA -0.551 62.456 63.100 -0.154 0.000 0.772 248 P CB 0.914 32.462 31.700 -0.253 0.000 0.871 249 L N 5.180 126.301 121.223 -0.171 0.000 2.280 249 L HA 0.345 4.686 4.340 0.002 0.000 0.287 249 L C -0.636 176.167 176.870 -0.113 0.000 1.023 249 L CA -0.799 54.023 54.840 -0.030 0.000 0.819 249 L CB 0.395 42.480 42.059 0.044 0.000 1.212 249 L HN 0.193 nan 8.230 nan 0.000 0.420 250 Y N 5.270 125.636 120.300 0.111 0.000 2.724 250 Y HA 0.109 4.660 4.550 0.002 0.000 0.354 250 Y C -0.524 175.468 175.900 0.153 0.000 1.270 250 Y CA 0.124 58.291 58.100 0.112 0.000 1.902 250 Y CB -0.746 37.758 38.460 0.074 0.000 1.981 250 Y HN 0.509 nan 8.280 nan 0.000 0.428 251 Y N 5.404 125.746 120.300 0.070 0.000 2.504 251 Y HA 0.286 4.837 4.550 0.002 0.000 0.351 251 Y C -2.221 173.711 175.900 0.054 0.000 0.988 251 Y CA -3.250 54.884 58.100 0.056 0.000 1.239 251 Y CB 0.662 39.125 38.460 0.006 0.000 1.128 251 Y HN 0.241 nan 8.280 nan 0.000 0.525 252 P HA 0.114 nan 4.420 nan 0.000 0.280 252 P C -0.695 176.579 177.300 -0.044 0.000 1.300 252 P CA 0.072 63.160 63.100 -0.021 0.000 0.785 252 P CB 0.695 32.360 31.700 -0.058 0.000 0.874 253 M N 2.479 122.140 119.600 0.103 0.000 2.228 253 M HA 0.356 4.837 4.480 0.002 0.000 0.326 253 M C 0.971 177.354 176.300 0.137 0.000 1.122 253 M CA -0.543 54.857 55.300 0.166 0.000 1.161 253 M CB 0.779 33.497 32.600 0.197 0.000 1.437 253 M HN 0.339 nan 8.290 nan 0.000 0.465 254 A N 1.540 124.488 122.820 0.213 0.000 2.584 254 A HA 0.351 4.672 4.320 0.002 0.000 0.239 254 A C 1.261 178.906 177.584 0.101 0.000 1.043 254 A CA 0.793 52.960 52.037 0.216 0.000 0.756 254 A CB -0.954 18.276 19.000 0.384 0.000 0.963 254 A HN 1.243 nan 8.150 nan 0.000 0.511 255 G N 1.548 110.387 108.800 0.065 0.000 2.205 255 G HA2 -0.207 3.754 3.960 0.002 0.000 0.261 255 G HA3 -0.207 3.754 3.960 0.002 0.000 0.261 255 G C 0.675 175.582 174.900 0.012 0.000 0.980 255 G CA 1.364 46.467 45.100 0.005 0.000 0.632 255 G HN 2.199 nan 8.290 nan 0.000 0.533 256 T N -1.421 113.152 114.554 0.032 0.000 2.884 256 T HA 0.683 5.034 4.350 0.002 0.000 0.277 256 T C -2.698 172.016 174.700 0.023 0.000 0.976 256 T CA -1.561 60.555 62.100 0.025 0.000 0.956 256 T CB 2.157 71.046 68.868 0.036 0.000 1.113 256 T HN 0.024 nan 8.240 nan 0.000 0.554 257 P HA 0.296 nan 4.420 nan 0.000 0.271 257 P C -0.431 176.873 177.300 0.006 0.000 1.220 257 P CA -0.146 62.964 63.100 0.017 0.000 0.768 257 P CB 0.721 32.427 31.700 0.010 0.000 0.848 258 S N 2.053 117.756 115.700 0.005 0.000 2.681 258 S HA 0.239 4.710 4.470 0.002 0.000 0.270 258 S C 0.140 174.722 174.600 -0.030 0.000 1.209 258 S CA -0.656 57.506 58.200 -0.064 0.000 0.988 258 S CB 0.148 63.319 63.200 -0.047 0.000 1.006 258 S HN 0.515 nan 8.310 nan 0.000 0.558 259 H N 0.055 119.201 119.070 0.126 0.000 2.597 259 H HA 0.320 4.877 4.556 0.002 0.000 0.370 259 H C -0.697 174.752 175.328 0.202 0.000 1.281 259 H CA -0.443 55.633 56.048 0.047 0.000 1.422 259 H CB 0.105 29.889 29.762 0.036 0.000 1.524 259 H HN 0.674 nan 8.280 nan 0.000 0.607 260 H N 0.356 119.545 119.070 0.198 0.000 2.595 260 H HA 0.335 4.892 4.556 0.002 0.000 0.313 260 H C -0.720 174.649 175.328 0.068 0.000 1.023 260 H CA -0.912 55.202 56.048 0.110 0.000 1.218 260 H CB 1.545 31.321 29.762 0.024 0.000 1.403 260 H HN 0.203 nan 8.280 nan 0.000 0.477 261 V N 3.831 123.879 119.914 0.224 0.000 2.427 261 V HA 0.290 4.411 4.120 0.002 0.000 0.286 261 V C 0.396 176.549 176.094 0.099 0.000 1.034 261 V CA -0.500 61.848 62.300 0.080 0.000 0.893 261 V CB 1.667 33.450 31.823 -0.066 0.000 0.982 261 V HN 0.893 nan 8.190 nan 0.000 0.452 262 T N 1.539 116.162 114.554 0.115 0.000 2.916 262 T HA 0.789 5.140 4.350 0.002 0.000 0.292 262 T C -0.888 173.926 174.700 0.189 0.000 1.064 262 T CA -0.800 61.378 62.100 0.130 0.000 1.011 262 T CB 1.927 70.864 68.868 0.115 0.000 1.152 262 T HN 0.259 nan 8.240 nan 0.000 0.510 263 V N 1.074 121.027 119.914 0.065 0.000 2.448 263 V HA 0.761 4.882 4.120 0.002 0.000 0.295 263 V C 0.745 176.561 176.094 -0.463 0.000 1.025 263 V CA -0.469 61.728 62.300 -0.172 0.000 0.859 263 V CB 1.380 33.034 31.823 -0.282 0.000 0.988 263 V HN 1.267 nan 8.190 nan 0.000 0.431 264 G N 4.230 112.400 108.800 -1.051 0.000 2.441 264 G HA2 0.797 4.758 3.960 0.002 0.000 0.334 264 G HA3 0.797 4.758 3.960 0.002 0.000 0.334 264 G C -1.036 173.166 174.900 -1.163 0.000 1.161 264 G CA -0.605 43.491 45.100 -1.673 0.000 0.935 264 G HN 0.601 nan 8.290 nan 0.000 0.488 265 I N 0.884 121.072 120.570 -0.636 0.000 2.468 265 I HA 0.187 4.358 4.170 0.002 0.000 0.285 265 I C -1.437 174.658 176.117 -0.036 0.000 1.039 265 I CA -0.776 60.381 61.300 -0.240 0.000 1.074 265 I CB 2.137 40.040 38.000 -0.162 0.000 1.228 265 I HN 0.506 nan 8.210 nan 0.000 0.436 266 Y N 6.306 126.599 120.300 -0.012 0.000 2.341 266 Y HA 0.348 4.899 4.550 0.002 0.000 0.340 266 Y C -0.199 175.646 175.900 -0.092 0.000 0.997 266 Y CA -0.342 57.775 58.100 0.027 0.000 1.149 266 Y CB 0.509 38.993 38.460 0.041 0.000 1.171 266 Y HN 0.432 nan 8.280 nan 0.000 0.494 267 H N 8.548 127.310 119.070 -0.512 0.000 2.761 267 H HA 0.108 4.665 4.556 0.002 0.000 0.284 267 H C 0.598 175.531 175.328 -0.658 0.000 1.105 267 H CA -0.146 55.662 56.048 -0.399 0.000 1.352 267 H CB 1.419 31.048 29.762 -0.222 0.000 1.423 267 H HN 0.797 nan 8.280 nan 0.000 0.464 268 L N 2.965 124.000 121.223 -0.314 0.000 2.127 268 L HA -0.185 4.155 4.340 0.002 0.000 0.211 268 L C 2.558 179.386 176.870 -0.070 0.000 1.089 268 L CA 1.675 56.428 54.840 -0.145 0.000 0.757 268 L CB -0.510 41.618 42.059 0.116 0.000 0.899 268 L HN 0.682 nan 8.230 nan 0.000 0.434 269 A N -1.078 121.719 122.820 -0.039 0.000 1.969 269 A HA -0.164 4.157 4.320 0.002 0.000 0.218 269 A C 2.351 179.915 177.584 -0.033 0.000 1.169 269 A CA 2.096 54.124 52.037 -0.015 0.000 0.635 269 A CB -0.755 18.245 19.000 0.001 0.000 0.810 269 A HN 0.500 nan 8.150 nan 0.000 0.445 270 T N -5.909 108.604 114.554 -0.070 0.000 2.990 270 T HA 0.418 4.769 4.350 0.002 0.000 0.250 270 T C 1.386 176.042 174.700 -0.074 0.000 1.041 270 T CA 1.114 63.174 62.100 -0.066 0.000 1.010 270 T CB 0.263 69.082 68.868 -0.082 0.000 1.003 270 T HN 1.691 nan 8.240 nan 0.000 0.499 271 G N 1.815 110.508 108.800 -0.179 0.000 2.155 271 G HA2 -0.285 3.676 3.960 0.002 0.000 0.257 271 G HA3 -0.285 3.676 3.960 0.002 0.000 0.257 271 G C -0.097 174.777 174.900 -0.043 0.000 0.983 271 G CA 0.515 45.543 45.100 -0.120 0.000 0.676 271 G HN 0.884 nan 8.290 nan 0.000 0.528 272 K N 0.356 120.689 120.400 -0.110 0.000 2.118 272 K HA 0.617 4.938 4.320 0.002 0.000 0.267 272 K C -0.538 176.117 176.600 0.091 0.000 0.991 272 K CA -0.168 56.125 56.287 0.009 0.000 0.916 272 K CB 0.806 33.285 32.500 -0.034 0.000 1.041 272 K HN 0.038 nan 8.250 nan 0.000 0.455 273 T N 2.492 117.144 114.554 0.163 0.000 2.861 273 T HA 0.408 4.759 4.350 0.002 0.000 0.287 273 T C -1.141 173.638 174.700 0.133 0.000 1.003 273 T CA -0.774 61.440 62.100 0.190 0.000 0.977 273 T CB 1.363 70.386 68.868 0.258 0.000 0.996 273 T HN 0.478 nan 8.240 nan 0.000 0.448 274 V N 0.865 120.808 119.914 0.049 0.000 2.789 274 V HA 0.744 4.865 4.120 0.002 0.000 0.311 274 V C -1.767 174.251 176.094 -0.127 0.000 1.073 274 V CA -1.145 61.189 62.300 0.056 0.000 0.921 274 V CB 1.402 33.275 31.823 0.083 0.000 1.009 274 V HN 0.779 nan 8.190 nan 0.000 0.426 275 Y N 2.853 123.138 120.300 -0.026 0.000 2.387 275 Y HA 0.650 5.201 4.550 0.002 0.000 0.336 275 Y C 0.521 176.353 175.900 -0.112 0.000 1.067 275 Y CA -0.854 57.190 58.100 -0.094 0.000 1.114 275 Y CB 1.762 40.184 38.460 -0.062 0.000 1.208 275 Y HN 0.615 nan 8.280 nan 0.000 0.458 276 L N 3.430 124.592 121.223 -0.103 0.000 2.490 276 L HA 0.038 4.379 4.340 0.002 0.000 0.274 276 L C 0.212 177.005 176.870 -0.129 0.000 1.201 276 L CA 0.205 54.904 54.840 -0.235 0.000 0.869 276 L CB 0.283 41.971 42.059 -0.619 0.000 1.123 276 L HN 0.589 nan 8.230 nan 0.000 0.484 277 Q N 1.503 121.309 119.800 0.010 0.000 3.181 277 Q HA 0.035 4.376 4.340 0.002 0.000 0.293 277 Q C 1.094 177.176 176.000 0.137 0.000 1.406 277 Q CA -0.175 55.684 55.803 0.093 0.000 1.026 277 Q CB 0.210 29.044 28.738 0.160 0.000 1.630 277 Q HN 0.750 nan 8.270 nan 0.000 0.553 278 T N -2.671 111.858 114.554 -0.042 0.000 3.072 278 T HA 0.116 4.467 4.350 0.002 0.000 0.266 278 T C 1.213 175.900 174.700 -0.022 0.000 1.127 278 T CA 0.198 62.284 62.100 -0.023 0.000 1.107 278 T CB -0.090 68.696 68.868 -0.136 0.000 0.910 278 T HN 0.652 nan 8.240 nan 0.000 0.513 279 G N 1.465 110.241 108.800 -0.039 0.000 2.564 279 G HA2 -0.213 3.748 3.960 0.002 0.000 0.273 279 G HA3 -0.213 3.748 3.960 0.002 0.000 0.273 279 G C -0.670 174.167 174.900 -0.105 0.000 1.242 279 G CA -0.027 45.029 45.100 -0.072 0.000 0.951 279 G HN 0.644 nan 8.290 nan 0.000 0.564 280 E N 0.724 120.855 120.200 -0.116 0.000 2.235 280 E HA 0.522 4.872 4.350 0.002 0.000 0.265 280 E C -2.507 174.011 176.600 -0.138 0.000 0.940 280 E CA -1.706 54.612 56.400 -0.136 0.000 0.819 280 E CB 1.463 31.090 29.700 -0.121 0.000 1.206 280 E HN 0.337 nan 8.360 nan 0.000 0.409 281 P HA 0.032 nan 4.420 nan 0.000 0.268 281 P C -0.022 177.144 177.300 -0.223 0.000 1.205 281 P CA 0.060 63.054 63.100 -0.175 0.000 0.771 281 P CB 0.596 32.192 31.700 -0.173 0.000 0.858 282 K N 1.505 121.723 120.400 -0.304 0.000 2.362 282 K HA -0.133 4.188 4.320 0.002 0.000 0.200 282 K C 1.054 177.431 176.600 -0.372 0.000 1.046 282 K CA 1.146 57.163 56.287 -0.449 0.000 0.952 282 K CB 0.056 32.019 32.500 -0.896 0.000 0.753 282 K HN 0.563 nan 8.250 nan 0.000 0.466 283 E N 1.586 121.624 120.200 -0.269 0.000 2.502 283 E HA -0.063 4.288 4.350 0.002 0.000 0.194 283 E C -0.095 176.286 176.600 -0.365 0.000 1.062 283 E CA 0.060 56.363 56.400 -0.162 0.000 0.867 283 E CB 0.067 29.675 29.700 -0.152 0.000 0.888 283 E HN 0.315 nan 8.360 nan 0.000 0.510 284 K N 1.008 121.201 120.400 -0.345 0.000 2.527 284 K HA -0.019 4.302 4.320 0.002 0.000 0.278 284 K C -0.686 175.699 176.600 -0.358 0.000 0.981 284 K CA 0.118 56.143 56.287 -0.438 0.000 1.009 284 K CB 0.243 32.595 32.500 -0.248 0.000 0.895 284 K HN -0.264 nan 8.250 nan 0.000 0.493 285 F N 3.069 122.854 119.950 -0.274 0.000 2.445 285 F HA 0.237 4.765 4.527 0.002 0.000 0.359 285 F C 0.165 175.836 175.800 -0.214 0.000 1.101 285 F CA -0.901 56.777 58.000 -0.536 0.000 1.177 285 F CB 0.443 38.920 39.000 -0.872 0.000 1.110 285 F HN 0.255 nan 8.300 nan 0.000 0.522 286 L N 4.508 125.931 121.223 0.333 0.000 2.264 286 L HA 0.434 4.775 4.340 0.002 0.000 0.287 286 L C 0.335 177.381 176.870 0.292 0.000 1.039 286 L CA -0.447 54.534 54.840 0.236 0.000 0.829 286 L CB 0.598 42.808 42.059 0.253 0.000 1.211 286 L HN 0.725 nan 8.230 nan 0.000 0.427 287 T N -1.078 113.562 114.554 0.143 0.000 2.926 287 T HA 0.364 4.715 4.350 0.002 0.000 0.289 287 T C 0.306 175.085 174.700 0.132 0.000 1.054 287 T CA -0.759 61.449 62.100 0.180 0.000 1.015 287 T CB 1.375 70.299 68.868 0.095 0.000 1.167 287 T HN 0.595 nan 8.240 nan 0.000 0.526 288 N N 0.231 119.032 118.700 0.167 0.000 2.699 288 N HA -0.127 4.614 4.740 0.002 0.000 0.256 288 N C -0.841 174.684 175.510 0.026 0.000 0.993 288 N CA 0.096 53.234 53.050 0.147 0.000 0.759 288 N CB -1.459 37.177 38.487 0.248 0.000 0.906 288 N HN 0.514 nan 8.380 nan 0.000 0.541 289 L N 0.279 121.364 121.223 -0.231 0.000 2.578 289 L HA 0.059 4.400 4.340 0.002 0.000 0.279 289 L C 0.437 177.208 176.870 -0.165 0.000 1.227 289 L CA 1.048 55.654 54.840 -0.390 0.000 0.900 289 L CB 0.608 42.090 42.059 -0.962 0.000 1.144 289 L HN 0.208 nan 8.230 nan 0.000 0.496 290 S N 2.323 117.995 115.700 -0.046 0.000 2.677 290 S HA 0.383 4.854 4.470 0.002 0.000 0.283 290 S C -1.079 173.654 174.600 0.221 0.000 1.159 290 S CA -0.796 57.512 58.200 0.179 0.000 1.001 290 S CB 0.572 63.919 63.200 0.245 0.000 1.032 290 S HN 0.407 nan 8.310 nan 0.000 0.487 291 W N 2.900 124.326 121.300 0.210 0.000 2.202 291 W HA 0.405 5.066 4.660 0.002 0.000 0.332 291 W C 1.040 177.630 176.519 0.117 0.000 1.263 291 W CA -0.175 57.257 57.345 0.146 0.000 1.223 291 W CB 0.695 30.218 29.460 0.106 0.000 1.128 291 W HN 0.668 nan 8.180 nan 0.000 0.573 292 S N 2.375 118.268 115.700 0.323 0.000 2.592 292 S HA 0.203 4.674 4.470 0.002 0.000 0.271 292 S C -1.906 172.637 174.600 -0.096 0.000 1.326 292 S CA -1.037 57.140 58.200 -0.037 0.000 1.024 292 S CB 1.381 64.623 63.200 0.070 0.000 0.921 292 S HN 0.275 nan 8.310 nan 0.000 0.527 293 P HA -0.113 nan 4.420 nan 0.000 0.218 293 P C 0.736 178.010 177.300 -0.044 0.000 1.148 293 P CA 1.341 64.356 63.100 -0.141 0.000 0.822 293 P CB -0.093 31.508 31.700 -0.165 0.000 0.784 294 D N -1.030 119.351 120.400 -0.031 0.000 2.328 294 D HA -0.064 4.577 4.640 0.002 0.000 0.226 294 D C 0.423 176.749 176.300 0.043 0.000 1.066 294 D CA 0.068 54.074 54.000 0.010 0.000 0.861 294 D CB -0.878 39.933 40.800 0.018 0.000 0.912 294 D HN 0.162 nan 8.370 nan 0.000 0.521 295 E N -1.140 119.115 120.200 0.091 0.000 3.547 295 E HA -0.256 4.095 4.350 0.002 0.000 0.300 295 E C 0.591 177.352 176.600 0.267 0.000 0.857 295 E CA 0.786 57.294 56.400 0.181 0.000 1.039 295 E CB -1.456 28.236 29.700 -0.013 0.000 1.524 295 E HN 0.321 nan 8.360 nan 0.000 0.457 296 N N 0.051 118.845 118.700 0.157 0.000 2.416 296 N HA 0.098 4.839 4.740 0.002 0.000 0.177 296 N C 0.664 176.208 175.510 0.055 0.000 1.036 296 N CA 0.915 54.031 53.050 0.110 0.000 0.901 296 N CB 0.479 38.997 38.487 0.052 0.000 0.976 296 N HN 0.296 nan 8.380 nan 0.000 0.444 297 I N 0.691 121.263 120.570 0.005 0.000 2.689 297 I HA 0.262 4.433 4.170 0.002 0.000 0.299 297 I C -1.226 174.677 176.117 -0.356 0.000 1.059 297 I CA -1.010 60.149 61.300 -0.235 0.000 1.055 297 I CB 2.833 40.565 38.000 -0.446 0.000 1.243 297 I HN -0.227 nan 8.210 nan 0.000 0.425 298 L N 6.337 127.235 121.223 -0.540 0.000 2.343 298 L HA 0.500 4.841 4.340 0.002 0.000 0.278 298 L C -1.417 175.169 176.870 -0.473 0.000 0.996 298 L CA -0.229 54.200 54.840 -0.685 0.000 0.831 298 L CB 0.812 42.300 42.059 -0.952 0.000 1.232 298 L HN 0.283 nan 8.230 nan 0.000 0.413 299 Y N 3.928 124.105 120.300 -0.206 0.000 2.310 299 Y HA 0.669 5.221 4.550 0.002 0.000 0.326 299 Y C 0.064 175.881 175.900 -0.138 0.000 1.151 299 Y CA -0.470 57.552 58.100 -0.131 0.000 1.195 299 Y CB 1.652 40.025 38.460 -0.145 0.000 1.210 299 Y HN 0.323 nan 8.280 nan 0.000 0.483 300 V N 1.928 121.891 119.914 0.081 0.000 2.760 300 V HA 0.669 4.790 4.120 0.002 0.000 0.309 300 V C -0.654 175.445 176.094 0.009 0.000 1.077 300 V CA -1.271 61.042 62.300 0.022 0.000 0.910 300 V CB 1.831 33.661 31.823 0.011 0.000 1.008 300 V HN 0.850 nan 8.190 nan 0.000 0.424 301 A N 3.452 126.282 122.820 0.016 0.000 2.366 301 A HA 0.636 4.957 4.320 0.002 0.000 0.322 301 A C -0.013 177.564 177.584 -0.011 0.000 1.397 301 A CA -0.395 51.640 52.037 -0.004 0.000 0.984 301 A CB -0.060 19.043 19.000 0.172 0.000 1.149 301 A HN 0.856 nan 8.150 nan 0.000 0.540 302 E N 1.419 121.595 120.200 -0.041 0.000 2.200 302 E HA 0.451 4.802 4.350 0.002 0.000 0.283 302 E C -0.890 175.662 176.600 -0.079 0.000 1.015 302 E CA -0.441 55.927 56.400 -0.052 0.000 0.819 302 E CB 1.830 31.510 29.700 -0.033 0.000 1.081 302 E HN 0.393 nan 8.360 nan 0.000 0.397 303 V N 3.867 123.715 119.914 -0.111 0.000 2.495 303 V HA 0.171 4.292 4.120 0.002 0.000 0.298 303 V C 0.086 176.114 176.094 -0.110 0.000 1.031 303 V CA -1.186 61.069 62.300 -0.074 0.000 0.871 303 V CB 1.510 33.258 31.823 -0.125 0.000 0.988 303 V HN 0.704 nan 8.190 nan 0.000 0.432 304 N N 3.836 122.487 118.700 -0.082 0.000 2.381 304 N HA 0.139 4.880 4.740 0.002 0.000 0.254 304 N C 0.868 176.282 175.510 -0.160 0.000 1.264 304 N CA -0.673 52.282 53.050 -0.159 0.000 0.942 304 N CB 0.642 39.077 38.487 -0.087 0.000 1.190 304 N HN 0.521 nan 8.380 nan 0.000 0.495 305 R N 0.476 120.834 120.500 -0.236 0.000 2.105 305 R HA -0.053 4.288 4.340 0.002 0.000 0.239 305 R C 1.767 178.117 176.300 0.084 0.000 1.135 305 R CA 1.947 57.963 56.100 -0.140 0.000 0.967 305 R CB -1.062 29.159 30.300 -0.132 0.000 0.861 305 R HN 0.760 nan 8.270 nan 0.000 0.442 306 A N -0.086 122.769 122.820 0.058 0.000 2.121 306 A HA -0.095 4.226 4.320 0.002 0.000 0.218 306 A C 0.578 178.256 177.584 0.158 0.000 1.154 306 A CA 1.123 53.223 52.037 0.106 0.000 0.679 306 A CB -0.209 18.832 19.000 0.070 0.000 0.795 306 A HN 0.590 nan 8.150 nan 0.000 0.458 307 Q N -1.742 118.164 119.800 0.177 0.000 2.481 307 Q HA -0.236 4.105 4.340 0.002 0.000 0.272 307 Q C -0.125 175.983 176.000 0.180 0.000 1.157 307 Q CA 0.722 56.658 55.803 0.221 0.000 0.935 307 Q CB -1.728 27.165 28.738 0.259 0.000 1.338 307 Q HN 1.009 nan 8.270 nan 0.000 0.494 308 N N -0.128 118.644 118.700 0.120 0.000 2.197 308 N HA 0.128 4.869 4.740 0.002 0.000 0.228 308 N C -0.432 175.112 175.510 0.058 0.000 1.212 308 N CA -0.035 53.066 53.050 0.086 0.000 0.883 308 N CB 0.802 39.325 38.487 0.060 0.000 1.107 308 N HN 0.399 nan 8.380 nan 0.000 0.519 309 E N 0.114 120.349 120.200 0.059 0.000 2.304 309 E HA 0.438 4.789 4.350 0.002 0.000 0.277 309 E C -1.726 174.891 176.600 0.029 0.000 0.898 309 E CA -0.735 55.685 56.400 0.034 0.000 0.764 309 E CB 1.548 31.251 29.700 0.004 0.000 1.216 309 E HN 0.162 nan 8.360 nan 0.000 0.419 310 C N 4.576 123.895 119.300 0.031 0.000 2.381 310 C HA 0.469 4.930 4.460 0.002 0.000 0.328 310 C C -0.627 174.318 174.990 -0.074 0.000 1.190 310 C CA -0.900 58.124 59.018 0.010 0.000 1.369 310 C CB 0.590 28.391 27.740 0.101 0.000 2.029 310 C HN 0.580 nan 8.230 nan 0.000 0.448 311 K N 2.248 122.575 120.400 -0.122 0.000 2.265 311 K HA 0.568 4.889 4.320 0.002 0.000 0.267 311 K C -0.822 175.599 176.600 -0.298 0.000 0.994 311 K CA -0.446 55.718 56.287 -0.205 0.000 0.860 311 K CB 1.730 34.156 32.500 -0.123 0.000 1.099 311 K HN 0.415 nan 8.250 nan 0.000 0.448 312 V N 4.480 124.040 119.914 -0.590 0.000 2.353 312 V HA 0.122 4.243 4.120 0.002 0.000 0.264 312 V C -0.261 175.625 176.094 -0.346 0.000 1.049 312 V CA -0.643 61.272 62.300 -0.642 0.000 0.896 312 V CB 0.250 31.258 31.823 -1.359 0.000 1.025 312 V HN 0.698 nan 8.190 nan 0.000 0.475 313 N N 3.222 121.853 118.700 -0.116 0.000 2.384 313 N HA 0.752 5.493 4.740 0.002 0.000 0.301 313 N C -0.293 175.177 175.510 -0.068 0.000 1.133 313 N CA -0.375 52.649 53.050 -0.043 0.000 0.853 313 N CB 2.223 40.767 38.487 0.094 0.000 1.241 313 N HN 0.681 nan 8.380 nan 0.000 0.502 314 A N 1.504 124.142 122.820 -0.304 0.000 2.304 314 A HA 0.666 4.987 4.320 0.002 0.000 0.323 314 A C -1.398 175.796 177.584 -0.651 0.000 1.195 314 A CA -0.400 51.355 52.037 -0.471 0.000 0.826 314 A CB 0.272 19.011 19.000 -0.434 0.000 1.184 314 A HN 0.606 nan 8.150 nan 0.000 0.496 315 Y N 0.267 120.335 120.300 -0.386 0.000 2.485 315 Y HA 0.373 4.924 4.550 0.002 0.000 0.345 315 Y C 0.067 175.802 175.900 -0.274 0.000 0.998 315 Y CA -0.622 57.316 58.100 -0.270 0.000 1.059 315 Y CB 1.872 40.214 38.460 -0.196 0.000 1.234 315 Y HN 0.817 nan 8.280 nan 0.000 0.461 316 D N 1.554 121.927 120.400 -0.046 0.000 2.358 316 D HA 0.299 4.940 4.640 0.002 0.000 0.258 316 D C 0.741 177.042 176.300 0.002 0.000 1.223 316 D CA 0.354 54.327 54.000 -0.045 0.000 0.886 316 D CB 1.226 42.008 40.800 -0.029 0.000 1.120 316 D HN 0.688 nan 8.370 nan 0.000 0.482 317 A N 3.801 126.627 122.820 0.009 0.000 2.019 317 A HA -0.162 4.159 4.320 0.002 0.000 0.219 317 A C 1.917 179.642 177.584 0.236 0.000 1.164 317 A CA 1.325 53.414 52.037 0.087 0.000 0.644 317 A CB -0.391 18.752 19.000 0.238 0.000 0.805 317 A HN 0.664 nan 8.150 nan 0.000 0.449 318 E N -0.050 120.249 120.200 0.164 0.000 2.051 318 E HA -0.109 4.242 4.350 0.002 0.000 0.189 318 E C 2.028 178.649 176.600 0.034 0.000 0.979 318 E CA 2.119 58.571 56.400 0.086 0.000 0.803 318 E CB -0.225 29.483 29.700 0.012 0.000 0.761 318 E HN 0.606 nan 8.360 nan 0.000 0.451 319 T N -4.665 109.913 114.554 0.040 0.000 2.990 319 T HA 0.349 4.700 4.350 0.002 0.000 0.249 319 T C 1.574 176.308 174.700 0.057 0.000 1.039 319 T CA 0.545 62.665 62.100 0.034 0.000 1.036 319 T CB 0.527 69.409 68.868 0.022 0.000 0.994 319 T HN 0.334 nan 8.240 nan 0.000 0.489 320 G N 1.938 110.776 108.800 0.064 0.000 2.176 320 G HA2 -0.256 3.705 3.960 0.002 0.000 0.253 320 G HA3 -0.256 3.705 3.960 0.002 0.000 0.253 320 G C 0.221 175.217 174.900 0.160 0.000 0.979 320 G CA -0.102 45.040 45.100 0.069 0.000 0.641 320 G HN 0.696 nan 8.290 nan 0.000 0.530 321 R N -0.322 120.256 120.500 0.130 0.000 2.643 321 R HA 0.422 4.763 4.340 0.002 0.000 0.270 321 R C 0.476 176.880 176.300 0.174 0.000 1.061 321 R CA -0.369 55.822 56.100 0.152 0.000 1.107 321 R CB 0.346 30.687 30.300 0.068 0.000 0.999 321 R HN 0.268 nan 8.270 nan 0.000 0.460 322 F N 2.578 122.536 119.950 0.013 0.000 2.529 322 F HA 0.021 4.549 4.527 0.002 0.000 0.365 322 F C 0.607 176.242 175.800 -0.277 0.000 1.102 322 F CA -0.006 57.799 58.000 -0.325 0.000 1.271 322 F CB 0.675 39.528 39.000 -0.246 0.000 1.120 322 F HN 0.177 nan 8.300 nan 0.000 0.579 323 V N 5.166 124.346 119.914 -1.222 0.000 2.721 323 V HA 0.263 4.384 4.120 0.002 0.000 0.236 323 V C 0.063 175.449 176.094 -1.181 0.000 1.116 323 V CA 0.964 62.730 62.300 -0.889 0.000 1.148 323 V CB -0.139 31.354 31.823 -0.549 0.000 0.886 323 V HN 0.872 nan 8.190 nan 0.000 0.490 324 R N -1.393 118.258 120.500 -1.415 0.000 2.765 324 R HA 0.376 4.717 4.340 0.002 0.000 0.277 324 R C -1.562 174.493 176.300 -0.407 0.000 1.028 324 R CA -0.590 55.011 56.100 -0.831 0.000 0.860 324 R CB 1.086 31.180 30.300 -0.343 0.000 1.270 324 R HN -0.019 nan 8.270 nan 0.000 0.484 325 T N 2.439 116.985 114.554 -0.014 0.000 2.733 325 T HA 0.263 4.614 4.350 0.002 0.000 0.294 325 T C 0.920 175.605 174.700 -0.025 0.000 0.956 325 T CA -0.535 61.582 62.100 0.028 0.000 0.987 325 T CB 1.088 70.011 68.868 0.092 0.000 0.920 325 T HN 0.396 nan 8.240 nan 0.000 0.470 326 L N 3.351 124.526 121.223 -0.079 0.000 2.023 326 L HA 0.268 4.609 4.340 0.002 0.000 0.205 326 L C 0.407 177.340 176.870 0.106 0.000 1.073 326 L CA 1.520 56.370 54.840 0.017 0.000 0.745 326 L CB -0.308 41.766 42.059 0.025 0.000 0.900 326 L HN 0.789 nan 8.230 nan 0.000 0.435 327 F N -4.420 115.433 119.950 -0.161 0.000 2.713 327 F HA 0.692 5.220 4.527 0.002 0.000 0.311 327 F C -1.196 174.514 175.800 -0.151 0.000 1.141 327 F CA -1.640 56.272 58.000 -0.146 0.000 0.939 327 F CB 0.880 39.758 39.000 -0.203 0.000 1.325 327 F HN -0.439 nan 8.300 nan 0.000 0.453 328 V N 1.053 121.039 119.914 0.120 0.000 2.656 328 V HA 0.492 4.613 4.120 0.002 0.000 0.307 328 V C -0.815 175.368 176.094 0.148 0.000 1.051 328 V CA -0.686 61.631 62.300 0.029 0.000 0.893 328 V CB 1.726 33.555 31.823 0.010 0.000 0.999 328 V HN 0.833 nan 8.190 nan 0.000 0.426 329 E N 2.004 122.278 120.200 0.123 0.000 2.195 329 E HA 0.713 5.064 4.350 0.002 0.000 0.271 329 E C -0.640 176.014 176.600 0.090 0.000 0.923 329 E CA -0.430 56.062 56.400 0.153 0.000 0.790 329 E CB 2.444 32.288 29.700 0.240 0.000 1.155 329 E HN 0.904 nan 8.360 nan 0.000 0.402 330 T N -0.336 114.257 114.554 0.066 0.000 2.865 330 T HA 0.647 4.998 4.350 0.002 0.000 0.294 330 T C -1.054 173.653 174.700 0.012 0.000 1.119 330 T CA -0.907 61.214 62.100 0.035 0.000 1.007 330 T CB 2.192 71.070 68.868 0.017 0.000 1.225 330 T HN 0.433 nan 8.240 nan 0.000 0.515 331 D N -1.297 119.092 120.400 -0.018 0.000 2.654 331 D HA 0.297 4.938 4.640 0.002 0.000 0.231 331 D C 0.659 176.883 176.300 -0.127 0.000 1.239 331 D CA -0.722 53.234 54.000 -0.074 0.000 0.790 331 D CB 2.095 42.841 40.800 -0.091 0.000 1.480 331 D HN 0.623 nan 8.370 nan 0.000 0.442 332 K N 0.801 121.067 120.400 -0.223 0.000 2.147 332 K HA -0.138 4.183 4.320 0.002 0.000 0.205 332 K C 0.765 177.089 176.600 -0.460 0.000 1.049 332 K CA 1.386 57.466 56.287 -0.346 0.000 0.936 332 K CB 0.086 32.293 32.500 -0.489 0.000 0.722 332 K HN 0.485 nan 8.250 nan 0.000 0.446 333 H N -1.987 116.916 119.070 -0.279 0.000 2.348 333 H HA 0.102 4.659 4.556 0.002 0.000 0.313 333 H C -0.001 175.135 175.328 -0.322 0.000 1.051 333 H CA 0.920 56.635 56.048 -0.554 0.000 1.420 333 H CB 0.390 29.642 29.762 -0.849 0.000 1.484 333 H HN 0.161 nan 8.280 nan 0.000 0.609 334 Y N -1.980 118.255 120.300 -0.110 0.000 2.620 334 Y HA 0.519 5.070 4.550 0.002 0.000 0.331 334 Y C -1.577 174.314 175.900 -0.015 0.000 1.173 334 Y CA -1.256 56.802 58.100 -0.069 0.000 1.076 334 Y CB 0.801 39.184 38.460 -0.129 0.000 1.336 334 Y HN -0.252 nan 8.280 nan 0.000 0.459 335 V N 1.862 121.913 119.914 0.228 0.000 2.581 335 V HA 0.550 4.671 4.120 0.002 0.000 0.303 335 V C -0.605 175.660 176.094 0.286 0.000 1.041 335 V CA -0.706 61.713 62.300 0.198 0.000 0.907 335 V CB 1.716 33.636 31.823 0.162 0.000 0.994 335 V HN 0.860 nan 8.190 nan 0.000 0.442 336 E N 5.016 125.382 120.200 0.278 0.000 2.923 336 E HA 0.332 4.683 4.350 0.002 0.000 0.266 336 E C -2.731 174.038 176.600 0.282 0.000 1.157 336 E CA -1.520 55.071 56.400 0.319 0.000 0.795 336 E CB 1.694 31.557 29.700 0.271 0.000 1.454 336 E HN 0.543 nan 8.360 nan 0.000 0.386 337 P HA 0.063 nan 4.420 nan 0.000 0.271 337 P C 0.053 177.460 177.300 0.179 0.000 1.220 337 P CA -0.029 63.200 63.100 0.214 0.000 0.768 337 P CB 1.294 33.196 31.700 0.336 0.000 0.848 338 L N 1.909 123.133 121.223 0.003 0.000 3.039 338 L HA 0.244 4.585 4.340 0.002 0.000 0.269 338 L C 0.272 176.851 176.870 -0.485 0.000 1.169 338 L CA 0.008 54.740 54.840 -0.180 0.000 0.986 338 L CB 0.037 41.942 42.059 -0.256 0.000 1.377 338 L HN 0.457 nan 8.230 nan 0.000 0.575 339 H N -0.590 118.479 119.070 -0.001 0.000 2.821 339 H HA 0.439 4.996 4.556 0.002 0.000 0.373 339 H C -2.485 172.889 175.328 0.077 0.000 1.165 339 H CA -1.783 54.294 56.048 0.048 0.000 1.154 339 H CB 1.488 31.262 29.762 0.019 0.000 1.765 339 H HN -0.229 nan 8.280 nan 0.000 0.549 340 P HA 0.119 nan 4.420 nan 0.000 0.279 340 P C -0.759 176.779 177.300 0.397 0.000 1.276 340 P CA -0.679 62.629 63.100 0.347 0.000 0.801 340 P CB 1.209 33.106 31.700 0.329 0.000 1.127 341 L N 0.555 121.984 121.223 0.344 0.000 2.367 341 L HA 0.271 4.612 4.340 0.002 0.000 0.275 341 L C 0.916 177.975 176.870 0.315 0.000 1.129 341 L CA 1.153 56.121 54.840 0.213 0.000 0.839 341 L CB -0.224 41.567 42.059 -0.446 0.000 1.133 341 L HN 0.315 nan 8.230 nan 0.000 0.453 342 T N 3.907 118.705 114.554 0.408 0.000 2.842 342 T HA 0.454 4.805 4.350 0.002 0.000 0.308 342 T C -0.207 174.838 174.700 0.574 0.000 1.041 342 T CA -0.356 62.085 62.100 0.569 0.000 0.964 342 T CB -0.070 69.229 68.868 0.719 0.000 0.972 342 T HN 0.026 nan 8.240 nan 0.000 0.460 343 F N 2.459 122.681 119.950 0.453 0.000 2.459 343 F HA 0.296 4.824 4.527 0.002 0.000 0.346 343 F C 1.099 177.002 175.800 0.172 0.000 1.128 343 F CA -0.997 57.217 58.000 0.357 0.000 1.268 343 F CB 0.368 39.523 39.000 0.259 0.000 1.161 343 F HN 0.263 nan 8.300 nan 0.000 0.583 344 L N 4.881 126.182 121.223 0.130 0.000 2.483 344 L HA 0.137 4.478 4.340 0.002 0.000 0.275 344 L C -1.866 174.860 176.870 -0.239 0.000 1.220 344 L CA -1.836 52.770 54.840 -0.389 0.000 0.833 344 L CB -0.101 41.844 42.059 -0.190 0.000 1.102 344 L HN 0.349 nan 8.230 nan 0.000 0.490 345 P HA -0.025 nan 4.420 nan 0.000 0.264 345 P C 0.705 177.984 177.300 -0.035 0.000 1.193 345 P CA 0.652 63.674 63.100 -0.130 0.000 0.763 345 P CB 0.763 32.395 31.700 -0.113 0.000 0.810 346 G N 1.743 110.555 108.800 0.020 0.000 2.168 346 G HA2 -0.242 3.719 3.960 0.002 0.000 0.263 346 G HA3 -0.242 3.719 3.960 0.002 0.000 0.263 346 G C 0.242 175.176 174.900 0.057 0.000 0.977 346 G CA 0.411 45.532 45.100 0.035 0.000 0.659 346 G HN 0.846 nan 8.290 nan 0.000 0.533 347 S N -0.832 114.923 115.700 0.092 0.000 2.503 347 S HA 0.637 5.108 4.470 0.002 0.000 0.301 347 S C 0.571 175.308 174.600 0.228 0.000 1.087 347 S CA 0.078 58.368 58.200 0.150 0.000 1.042 347 S CB 1.516 64.812 63.200 0.160 0.000 1.043 347 S HN 0.376 nan 8.310 nan 0.000 0.489 348 N N 2.842 121.663 118.700 0.202 0.000 2.184 348 N HA 0.285 5.026 4.740 0.002 0.000 0.206 348 N C 0.271 176.004 175.510 0.373 0.000 1.151 348 N CA 0.037 53.187 53.050 0.166 0.000 0.878 348 N CB 0.267 38.797 38.487 0.072 0.000 1.014 348 N HN 0.553 nan 8.380 nan 0.000 0.512 349 N N -0.617 118.320 118.700 0.395 0.000 2.210 349 N HA 0.131 4.872 4.740 0.002 0.000 0.203 349 N C -0.703 174.997 175.510 0.316 0.000 1.175 349 N CA 0.176 53.444 53.050 0.362 0.000 0.894 349 N CB 0.855 39.465 38.487 0.205 0.000 1.041 349 N HN 0.310 nan 8.380 nan 0.000 0.506 350 Q N 0.337 120.314 119.800 0.296 0.000 2.356 350 Q HA 0.538 4.879 4.340 0.002 0.000 0.270 350 Q C -1.314 174.700 176.000 0.022 0.000 1.058 350 Q CA -0.830 55.014 55.803 0.068 0.000 0.802 350 Q CB 2.421 31.179 28.738 0.033 0.000 1.303 350 Q HN 0.130 nan 8.270 nan 0.000 0.444 351 F N -0.762 119.071 119.950 -0.194 0.000 2.645 351 F HA 0.654 5.182 4.527 0.002 0.000 0.310 351 F C -1.440 174.376 175.800 0.027 0.000 1.102 351 F CA -1.424 56.406 58.000 -0.283 0.000 0.952 351 F CB 0.965 39.374 39.000 -0.985 0.000 1.326 351 F HN 0.244 nan 8.300 nan 0.000 0.456 352 I N 2.906 123.709 120.570 0.389 0.000 2.353 352 I HA 0.172 4.343 4.170 0.002 0.000 0.293 352 I C -0.904 175.508 176.117 0.491 0.000 0.992 352 I CA -0.555 60.912 61.300 0.279 0.000 1.268 352 I CB 1.317 39.340 38.000 0.038 0.000 1.387 352 I HN 0.845 nan 8.210 nan 0.000 0.478 353 W N 7.323 128.782 121.300 0.266 0.000 2.739 353 W HA 0.379 5.039 4.660 0.002 0.000 0.331 353 W C -1.287 175.372 176.519 0.233 0.000 1.049 353 W CA -0.620 56.920 57.345 0.325 0.000 1.234 353 W CB 1.799 31.539 29.460 0.466 0.000 1.404 353 W HN 0.534 nan 8.180 nan 0.000 0.477 354 Q N 3.567 123.102 119.800 -0.440 0.000 2.256 354 Q HA 0.383 4.724 4.340 0.002 0.000 0.254 354 Q C -0.628 175.058 176.000 -0.523 0.000 0.916 354 Q CA -0.060 55.526 55.803 -0.361 0.000 0.932 354 Q CB 2.189 30.731 28.738 -0.327 0.000 1.207 354 Q HN 0.338 nan 8.270 nan 0.000 0.426 355 S N 1.342 116.990 115.700 -0.087 0.000 2.533 355 S HA 0.329 4.800 4.470 0.002 0.000 0.271 355 S C -0.583 174.080 174.600 0.104 0.000 1.143 355 S CA -0.686 57.497 58.200 -0.028 0.000 0.891 355 S CB 1.464 64.620 63.200 -0.074 0.000 1.105 355 S HN 0.739 nan 8.310 nan 0.000 0.468 356 R N 2.056 122.595 120.500 0.066 0.000 2.427 356 R HA 0.170 4.511 4.340 0.002 0.000 0.262 356 R C 2.162 178.493 176.300 0.052 0.000 0.943 356 R CA 0.112 56.244 56.100 0.053 0.000 1.081 356 R CB -0.030 30.275 30.300 0.009 0.000 1.166 356 R HN 0.772 nan 8.270 nan 0.000 0.534 357 R N 0.512 121.051 120.500 0.065 0.000 2.133 357 R HA -0.166 4.175 4.340 0.002 0.000 0.247 357 R C 0.691 177.033 176.300 0.071 0.000 1.151 357 R CA 2.104 58.231 56.100 0.045 0.000 0.971 357 R CB -0.500 29.798 30.300 -0.002 0.000 0.866 357 R HN 0.138 nan 8.270 nan 0.000 0.447 358 D N -0.781 119.712 120.400 0.155 0.000 2.325 358 D HA 0.107 4.748 4.640 0.002 0.000 0.225 358 D C 1.043 177.454 176.300 0.184 0.000 1.096 358 D CA 0.503 54.608 54.000 0.175 0.000 0.844 358 D CB 0.520 41.456 40.800 0.226 0.000 0.925 358 D HN 0.526 nan 8.370 nan 0.000 0.513 359 G N -0.940 107.879 108.800 0.031 0.000 2.195 359 G HA2 -0.203 3.758 3.960 0.002 0.000 0.224 359 G HA3 -0.203 3.758 3.960 0.002 0.000 0.224 359 G C -0.478 174.009 174.900 -0.689 0.000 0.990 359 G CA -0.122 44.818 45.100 -0.265 0.000 0.639 359 G HN 0.222 nan 8.290 nan 0.000 0.514 360 W N 0.045 121.328 121.300 -0.028 0.000 3.274 360 W HA 0.622 5.283 4.660 0.001 0.000 0.327 360 W C -0.358 176.005 176.519 -0.260 0.000 1.172 360 W CA -1.400 55.851 57.345 -0.155 0.000 1.217 360 W CB 0.830 30.158 29.460 -0.220 0.000 1.376 360 W HN 0.149 nan 8.180 nan 0.000 0.507 361 N N 2.710 121.333 118.700 -0.128 0.000 2.438 361 N HA 0.092 4.833 4.740 0.002 0.000 0.267 361 N C -0.532 174.711 175.510 -0.446 0.000 1.222 361 N CA 0.805 53.760 53.050 -0.158 0.000 0.930 361 N CB 0.182 38.632 38.487 -0.062 0.000 1.083 361 N HN 0.371 nan 8.380 nan 0.000 0.476 362 H N 2.214 121.264 119.070 -0.033 0.000 2.907 362 H HA 0.408 4.965 4.556 0.002 0.000 0.361 362 H C -0.559 174.653 175.328 -0.194 0.000 1.194 362 H CA -0.677 55.233 56.048 -0.230 0.000 1.152 362 H CB 1.053 30.590 29.762 -0.375 0.000 1.867 362 H HN 0.297 nan 8.280 nan 0.000 0.561 363 L N 2.154 123.220 121.223 -0.261 0.000 2.264 363 L HA 0.281 4.622 4.340 0.002 0.000 0.289 363 L C -0.881 175.788 176.870 -0.335 0.000 1.044 363 L CA -0.502 54.157 54.840 -0.302 0.000 0.807 363 L CB 0.197 41.941 42.059 -0.524 0.000 1.192 363 L HN 0.309 nan 8.230 nan 0.000 0.425 364 Y N 3.201 123.446 120.300 -0.091 0.000 2.377 364 Y HA 0.456 5.007 4.550 0.002 0.000 0.339 364 Y C -0.193 175.651 175.900 -0.092 0.000 1.011 364 Y CA -0.809 57.241 58.100 -0.083 0.000 1.093 364 Y CB 1.958 40.450 38.460 0.053 0.000 1.201 364 Y HN 0.354 nan 8.280 nan 0.000 0.455 365 L N 4.610 125.749 121.223 -0.140 0.000 2.265 365 L HA 0.497 4.838 4.340 0.002 0.000 0.289 365 L C -1.764 174.865 176.870 -0.401 0.000 1.033 365 L CA -0.518 54.204 54.840 -0.196 0.000 0.814 365 L CB -0.248 41.712 42.059 -0.166 0.000 1.203 365 L HN 0.523 nan 8.230 nan 0.000 0.423 366 Y N 2.850 122.804 120.300 -0.577 0.000 2.549 366 Y HA 0.497 5.048 4.550 0.002 0.000 0.339 366 Y C -0.053 175.411 175.900 -0.727 0.000 1.053 366 Y CA -0.648 57.015 58.100 -0.728 0.000 1.105 366 Y CB 1.621 39.431 38.460 -1.083 0.000 1.258 366 Y HN 0.678 nan 8.280 nan 0.000 0.478 367 D N -1.129 119.152 120.400 -0.197 0.000 2.272 367 D HA 0.092 4.733 4.640 0.002 0.000 0.247 367 D C 0.550 176.906 176.300 0.092 0.000 0.990 367 D CA -0.492 53.471 54.000 -0.061 0.000 0.931 367 D CB 1.827 42.627 40.800 -0.000 0.000 1.195 367 D HN 0.660 nan 8.370 nan 0.000 0.477 368 T N -2.241 112.462 114.554 0.248 0.000 3.163 368 T HA -0.094 4.257 4.350 0.002 0.000 0.260 368 T C 1.521 176.380 174.700 0.265 0.000 1.156 368 T CA 1.262 63.589 62.100 0.378 0.000 1.072 368 T CB -0.861 68.279 68.868 0.455 0.000 0.937 368 T HN 0.567 nan 8.240 nan 0.000 0.528 369 T N -2.507 112.156 114.554 0.182 0.000 3.081 369 T HA 0.442 4.793 4.350 0.002 0.000 0.255 369 T C 1.941 176.729 174.700 0.147 0.000 1.113 369 T CA 0.609 62.789 62.100 0.133 0.000 1.082 369 T CB -0.317 68.606 68.868 0.090 0.000 0.939 369 T HN 0.801 nan 8.240 nan 0.000 0.506 370 G N 1.437 110.360 108.800 0.204 0.000 2.201 370 G HA2 -0.219 3.742 3.960 0.002 0.000 0.212 370 G HA3 -0.219 3.742 3.960 0.002 0.000 0.212 370 G C 0.132 175.205 174.900 0.290 0.000 0.994 370 G CA -0.117 45.142 45.100 0.264 0.000 0.644 370 G HN 0.813 nan 8.290 nan 0.000 0.508 371 R N 0.522 121.125 120.500 0.171 0.000 2.442 371 R HA 0.480 4.821 4.340 0.002 0.000 0.291 371 R C 0.099 176.365 176.300 -0.057 0.000 1.069 371 R CA -0.592 55.547 56.100 0.064 0.000 1.022 371 R CB 0.281 30.585 30.300 0.008 0.000 0.976 371 R HN 0.334 nan 8.270 nan 0.000 0.443 372 L N 6.878 127.942 121.223 -0.265 0.000 2.325 372 L HA 0.185 4.526 4.340 0.002 0.000 0.284 372 L C 0.618 177.233 176.870 -0.425 0.000 1.089 372 L CA 0.380 54.764 54.840 -0.760 0.000 0.836 372 L CB 0.705 42.333 42.059 -0.718 0.000 1.184 372 L HN 0.829 nan 8.230 nan 0.000 0.444 373 I N 3.753 124.078 120.570 -0.409 0.000 2.286 373 I HA 0.028 4.199 4.170 0.002 0.000 0.245 373 I C 1.016 176.995 176.117 -0.230 0.000 1.104 373 I CA 0.591 61.743 61.300 -0.246 0.000 1.397 373 I CB -0.102 37.779 38.000 -0.199 0.000 1.072 373 I HN 0.695 nan 8.210 nan 0.000 0.417 374 R N 0.640 120.971 120.500 -0.281 0.000 2.728 374 R HA 0.136 4.477 4.340 0.002 0.000 0.259 374 R C -1.454 174.667 176.300 -0.299 0.000 1.057 374 R CA -0.607 55.348 56.100 -0.242 0.000 0.908 374 R CB 1.016 31.202 30.300 -0.190 0.000 1.259 374 R HN 0.003 nan 8.270 nan 0.000 0.472 375 Q N 3.268 122.860 119.800 -0.347 0.000 2.337 375 Q HA 0.220 4.561 4.340 0.002 0.000 0.255 375 Q C 0.115 175.818 176.000 -0.496 0.000 0.997 375 Q CA -0.379 55.043 55.803 -0.635 0.000 0.925 375 Q CB 1.654 29.977 28.738 -0.691 0.000 1.212 375 Q HN 0.583 nan 8.270 nan 0.000 0.436 376 V N 2.722 122.355 119.914 -0.469 0.000 2.283 376 V HA -0.092 4.029 4.120 0.002 0.000 0.243 376 V C 1.148 177.034 176.094 -0.346 0.000 1.039 376 V CA 1.911 64.013 62.300 -0.330 0.000 1.016 376 V CB -0.330 31.336 31.823 -0.261 0.000 0.650 376 V HN 0.917 nan 8.190 nan 0.000 0.449 377 T N -0.216 114.060 114.554 -0.463 0.000 2.902 377 T HA 0.661 5.012 4.350 0.002 0.000 0.283 377 T C -0.716 173.422 174.700 -0.936 0.000 1.009 377 T CA -0.693 61.131 62.100 -0.460 0.000 1.051 377 T CB 1.961 70.609 68.868 -0.367 0.000 0.999 377 T HN 0.369 nan 8.240 nan 0.000 0.474 378 K N 0.684 120.514 120.400 -0.949 0.000 2.546 378 K HA 0.732 5.053 4.320 0.002 0.000 0.264 378 K C -0.528 175.527 176.600 -0.909 0.000 0.937 378 K CA -1.076 54.500 56.287 -1.184 0.000 0.833 378 K CB 2.526 34.664 32.500 -0.602 0.000 1.378 378 K HN 1.213 nan 8.250 nan 0.000 0.432 379 G N 0.829 109.079 108.800 -0.916 0.000 2.347 379 G HA2 -0.026 3.935 3.960 0.002 0.000 0.321 379 G HA3 -0.026 3.935 3.960 0.002 0.000 0.321 379 G C -1.461 172.821 174.900 -1.031 0.000 1.412 379 G CA -0.990 43.673 45.100 -0.728 0.000 0.990 379 G HN 0.514 nan 8.290 nan 0.000 0.637 380 E N 1.366 121.031 120.200 -0.892 0.000 2.261 380 E HA 0.234 4.585 4.350 0.002 0.000 0.308 380 E C -0.046 175.847 176.600 -1.177 0.000 1.400 380 E CA -0.169 55.208 56.400 -1.705 0.000 1.542 380 E CB 0.048 29.127 29.700 -1.036 0.000 1.369 380 E HN 0.462 nan 8.360 nan 0.000 0.493 381 W N 0.101 120.955 121.300 -0.743 0.000 2.959 381 W HA 0.458 5.119 4.660 0.002 0.000 0.358 381 W C -0.918 175.616 176.519 0.025 0.000 1.228 381 W CA -0.865 56.376 57.345 -0.173 0.000 1.183 381 W CB 0.508 29.875 29.460 -0.155 0.000 1.467 381 W HN -0.149 nan 8.180 nan 0.000 0.578 382 E N 0.930 121.364 120.200 0.391 0.000 2.266 382 E HA 0.433 4.784 4.350 0.002 0.000 0.268 382 E C -1.069 175.678 176.600 0.246 0.000 0.879 382 E CA -1.204 55.271 56.400 0.126 0.000 0.762 382 E CB 3.387 33.178 29.700 0.151 0.000 1.199 382 E HN 0.145 nan 8.360 nan 0.000 0.422 383 V N 2.462 122.405 119.914 0.048 0.000 2.455 383 V HA 0.008 4.129 4.120 0.002 0.000 0.273 383 V C 1.256 177.453 176.094 0.172 0.000 1.045 383 V CA 0.498 62.903 62.300 0.176 0.000 0.976 383 V CB 0.714 32.497 31.823 -0.066 0.000 0.993 383 V HN 0.914 nan 8.190 nan 0.000 0.475 384 T N 0.579 115.293 114.554 0.268 0.000 3.044 384 T HA 0.159 4.510 4.350 0.002 0.000 0.250 384 T C 0.580 175.432 174.700 0.252 0.000 1.081 384 T CA -0.033 62.212 62.100 0.242 0.000 1.040 384 T CB 0.004 69.021 68.868 0.249 0.000 0.962 384 T HN 0.586 nan 8.240 nan 0.000 0.506 385 N N -0.063 118.811 118.700 0.290 0.000 2.718 385 N HA 0.172 4.913 4.740 0.002 0.000 0.260 385 N C -2.148 173.596 175.510 0.390 0.000 1.089 385 N CA -0.440 52.789 53.050 0.298 0.000 1.021 385 N CB 1.567 40.238 38.487 0.306 0.000 1.618 385 N HN 0.106 nan 8.380 nan 0.000 0.554 386 F N 3.986 124.010 119.950 0.124 0.000 2.390 386 F HA 0.569 5.097 4.527 0.002 0.000 0.361 386 F C 0.801 176.704 175.800 0.171 0.000 1.124 386 F CA -0.552 57.521 58.000 0.122 0.000 1.149 386 F CB 0.843 39.832 39.000 -0.019 0.000 1.160 386 F HN 0.616 nan 8.300 nan 0.000 0.501 387 A N 4.112 126.940 122.820 0.014 0.000 2.081 387 A HA 0.582 4.903 4.320 0.002 0.000 0.214 387 A C 1.192 178.573 177.584 -0.338 0.000 1.158 387 A CA 0.894 52.922 52.037 -0.016 0.000 0.724 387 A CB -0.840 18.405 19.000 0.407 0.000 0.826 387 A HN 1.424 nan 8.150 nan 0.000 0.463 388 G N -2.238 106.047 108.800 -0.859 0.000 2.302 388 G HA2 0.322 4.283 3.960 0.002 0.000 0.276 388 G HA3 0.322 4.283 3.960 0.002 0.000 0.276 388 G C -0.804 173.853 174.900 -0.405 0.000 1.316 388 G CA -0.519 44.113 45.100 -0.779 0.000 0.988 388 G HN 0.420 nan 8.290 nan 0.000 0.479 389 F N 0.882 120.950 119.950 0.197 0.000 2.639 389 F HA 0.656 5.184 4.527 0.002 0.000 0.339 389 F C 0.340 176.354 175.800 0.356 0.000 1.071 389 F CA -0.510 57.685 58.000 0.325 0.000 0.994 389 F CB 0.975 40.127 39.000 0.253 0.000 1.341 389 F HN 0.645 nan 8.300 nan 0.000 0.498 390 D N -0.125 120.624 120.400 0.582 0.000 2.383 390 D HA 0.258 4.899 4.640 0.002 0.000 0.248 390 D C -2.224 174.236 176.300 0.266 0.000 1.170 390 D CA -2.039 52.217 54.000 0.427 0.000 0.977 390 D CB 0.221 41.238 40.800 0.360 0.000 1.120 390 D HN 0.099 nan 8.370 nan 0.000 0.481 391 P HA -0.187 nan 4.420 nan 0.000 0.216 391 P C 0.771 178.123 177.300 0.087 0.000 1.157 391 P CA 1.943 65.106 63.100 0.106 0.000 0.880 391 P CB 0.090 31.832 31.700 0.071 0.000 0.791 392 K N -2.087 118.368 120.400 0.091 0.000 2.459 392 K HA 0.198 4.519 4.320 0.002 0.000 0.193 392 K C 1.112 177.747 176.600 0.059 0.000 1.030 392 K CA 0.662 56.987 56.287 0.065 0.000 1.026 392 K CB -0.413 32.123 32.500 0.061 0.000 0.809 392 K HN 0.154 nan 8.250 nan 0.000 0.504 393 G N 2.277 111.134 108.800 0.096 0.000 2.198 393 G HA2 -0.276 3.685 3.960 0.002 0.000 0.257 393 G HA3 -0.276 3.685 3.960 0.002 0.000 0.257 393 G C 0.624 175.603 174.900 0.132 0.000 1.042 393 G CA 0.810 45.959 45.100 0.081 0.000 0.791 393 G HN 0.431 nan 8.290 nan 0.000 0.502 394 T N -3.568 111.070 114.554 0.140 0.000 3.023 394 T HA 0.499 4.850 4.350 0.002 0.000 0.253 394 T C 0.861 175.621 174.700 0.099 0.000 1.038 394 T CA 0.252 62.414 62.100 0.102 0.000 0.962 394 T CB 0.718 69.627 68.868 0.068 0.000 1.018 394 T HN 0.552 nan 8.240 nan 0.000 0.521 395 R N 0.251 120.832 120.500 0.135 0.000 2.744 395 R HA 0.718 5.059 4.340 0.002 0.000 0.279 395 R C -1.429 174.907 176.300 0.060 0.000 0.977 395 R CA -0.827 55.283 56.100 0.017 0.000 0.906 395 R CB 2.165 32.382 30.300 -0.139 0.000 1.197 395 R HN 0.163 nan 8.270 nan 0.000 0.463 396 L N 2.498 123.701 121.223 -0.033 0.000 2.346 396 L HA 0.538 4.879 4.340 0.002 0.000 0.276 396 L C -1.156 175.683 176.870 -0.051 0.000 1.006 396 L CA -0.892 54.015 54.840 0.112 0.000 0.817 396 L CB 1.286 43.476 42.059 0.218 0.000 1.272 396 L HN 0.512 nan 8.230 nan 0.000 0.421 397 Y N 3.115 123.531 120.300 0.194 0.000 2.364 397 Y HA 0.643 5.194 4.550 0.002 0.000 0.340 397 Y C -0.176 175.742 175.900 0.031 0.000 0.975 397 Y CA -0.656 57.380 58.100 -0.107 0.000 1.089 397 Y CB 1.739 40.128 38.460 -0.118 0.000 1.192 397 Y HN 0.430 nan 8.280 nan 0.000 0.454 398 F N -0.886 118.919 119.950 -0.241 0.000 2.741 398 F HA 0.533 5.061 4.527 0.002 0.000 0.311 398 F C -1.398 174.414 175.800 0.020 0.000 1.149 398 F CA -1.393 56.619 58.000 0.020 0.000 0.930 398 F CB 1.513 40.630 39.000 0.195 0.000 1.312 398 F HN 0.366 nan 8.300 nan 0.000 0.450 399 E N 1.431 121.885 120.200 0.423 0.000 2.204 399 E HA 0.679 5.030 4.350 0.002 0.000 0.276 399 E C -1.130 175.775 176.600 0.510 0.000 0.974 399 E CA -0.453 56.212 56.400 0.442 0.000 0.815 399 E CB 1.835 31.806 29.700 0.451 0.000 1.119 399 E HN 0.952 nan 8.360 nan 0.000 0.393 400 S N 1.245 117.222 115.700 0.462 0.000 2.688 400 S HA 0.260 4.731 4.470 0.002 0.000 0.275 400 S C 0.101 174.859 174.600 0.262 0.000 1.175 400 S CA -0.145 58.284 58.200 0.381 0.000 0.818 400 S CB 1.163 64.572 63.200 0.350 0.000 1.157 400 S HN 0.529 nan 8.310 nan 0.000 0.482 401 T N -2.384 112.302 114.554 0.220 0.000 3.186 401 T HA 0.319 4.670 4.350 0.002 0.000 0.257 401 T C 1.014 175.695 174.700 -0.032 0.000 1.029 401 T CA 0.387 62.565 62.100 0.130 0.000 0.916 401 T CB -0.182 68.794 68.868 0.180 0.000 1.041 401 T HN 0.712 nan 8.240 nan 0.000 0.562 402 E N 1.511 121.484 120.200 -0.377 0.000 2.097 402 E HA -0.176 4.175 4.350 0.002 0.000 0.196 402 E C 2.272 178.613 176.600 -0.432 0.000 1.000 402 E CA 1.383 57.278 56.400 -0.841 0.000 0.804 402 E CB -0.411 28.209 29.700 -1.799 0.000 0.740 402 E HN 0.686 nan 8.360 nan 0.000 0.454 403 A N 0.026 122.655 122.820 -0.319 0.000 1.969 403 A HA -0.007 4.314 4.320 0.002 0.000 0.218 403 A C 1.114 178.575 177.584 -0.206 0.000 1.169 403 A CA 1.144 52.987 52.037 -0.324 0.000 0.635 403 A CB 0.028 18.577 19.000 -0.752 0.000 0.810 403 A HN 0.222 nan 8.150 nan 0.000 0.445 404 S N -3.321 112.290 115.700 -0.149 0.000 2.714 404 S HA 0.343 4.814 4.470 0.002 0.000 0.297 404 S C -2.953 171.605 174.600 -0.070 0.000 0.993 404 S CA -0.384 57.753 58.200 -0.104 0.000 0.844 404 S CB 0.739 63.873 63.200 -0.109 0.000 1.043 404 S HN -0.103 nan 8.310 nan 0.000 0.457 405 P HA 0.133 nan 4.420 nan 0.000 0.223 405 P C 0.974 178.213 177.300 -0.101 0.000 1.151 405 P CA 0.687 63.747 63.100 -0.066 0.000 0.787 405 P CB 0.040 31.685 31.700 -0.092 0.000 0.788 406 L N -1.604 119.511 121.223 -0.180 0.000 2.591 406 L HA 0.134 4.475 4.340 0.002 0.000 0.228 406 L C 0.880 177.731 176.870 -0.031 0.000 1.133 406 L CA 0.494 55.245 54.840 -0.148 0.000 0.880 406 L CB -0.337 41.572 42.059 -0.249 0.000 1.033 406 L HN 0.027 nan 8.230 nan 0.000 0.450 407 E N -0.092 120.125 120.200 0.028 0.000 2.378 407 E HA 0.562 4.913 4.350 0.002 0.000 0.265 407 E C -0.677 176.061 176.600 0.230 0.000 0.932 407 E CA -0.994 55.498 56.400 0.153 0.000 0.795 407 E CB 1.943 31.786 29.700 0.240 0.000 1.296 407 E HN -0.083 nan 8.360 nan 0.000 0.438 408 R N 1.406 122.125 120.500 0.364 0.000 2.502 408 R HA 0.426 4.767 4.340 0.002 0.000 0.298 408 R C -1.040 175.584 176.300 0.541 0.000 1.018 408 R CA -0.425 55.906 56.100 0.386 0.000 0.899 408 R CB 1.064 31.526 30.300 0.271 0.000 1.181 408 R HN 0.631 nan 8.270 nan 0.000 0.444 409 H N 1.151 120.367 119.070 0.244 0.000 2.731 409 H HA 0.392 4.949 4.556 0.002 0.000 0.368 409 H C -0.890 174.451 175.328 0.023 0.000 1.168 409 H CA -0.807 55.263 56.048 0.036 0.000 1.181 409 H CB 2.789 32.385 29.762 -0.276 0.000 1.743 409 H HN 0.270 nan 8.280 nan 0.000 0.547 410 F N 2.405 122.203 119.950 -0.254 0.000 2.415 410 F HA 0.278 4.806 4.527 0.002 0.000 0.348 410 F C -1.238 174.293 175.800 -0.450 0.000 1.119 410 F CA -0.464 57.418 58.000 -0.197 0.000 1.069 410 F CB 0.185 39.101 39.000 -0.141 0.000 1.124 410 F HN 0.356 nan 8.300 nan 0.000 0.472 411 Y N 3.726 123.524 120.300 -0.838 0.000 2.630 411 Y HA 0.594 5.145 4.550 0.002 0.000 0.337 411 Y C -0.287 175.052 175.900 -0.935 0.000 1.051 411 Y CA -1.144 56.453 58.100 -0.838 0.000 1.121 411 Y CB 1.498 39.371 38.460 -0.979 0.000 1.299 411 Y HN 0.670 nan 8.280 nan 0.000 0.498 412 C N 2.906 121.979 119.300 -0.378 0.000 2.634 412 C HA 0.871 5.332 4.460 0.002 0.000 0.313 412 C C -0.925 173.966 174.990 -0.164 0.000 1.198 412 C CA -0.758 58.028 59.018 -0.387 0.000 1.605 412 C CB 0.051 27.624 27.740 -0.279 0.000 2.196 412 C HN 0.825 nan 8.230 nan 0.000 0.486 413 I N 3.846 124.362 120.570 -0.090 0.000 2.841 413 I HA 0.337 4.508 4.170 0.002 0.000 0.298 413 I C -0.946 175.166 176.117 -0.008 0.000 1.304 413 I CA -0.200 61.124 61.300 0.040 0.000 1.019 413 I CB 1.726 39.865 38.000 0.232 0.000 1.282 413 I HN 0.726 nan 8.210 nan 0.000 0.432 414 D N 4.752 125.149 120.400 -0.006 0.000 2.399 414 D HA 0.020 4.660 4.640 0.002 0.000 0.241 414 D C 0.969 177.271 176.300 0.004 0.000 1.133 414 D CA 0.078 54.075 54.000 -0.006 0.000 0.890 414 D CB 1.462 42.257 40.800 -0.008 0.000 1.201 414 D HN 0.576 nan 8.370 nan 0.000 0.432 415 I N 3.496 124.080 120.570 0.023 0.000 2.567 415 I HA -0.209 3.962 4.170 0.002 0.000 0.257 415 I C 1.806 177.911 176.117 -0.019 0.000 1.184 415 I CA 1.424 62.741 61.300 0.029 0.000 1.451 415 I CB -0.005 38.038 38.000 0.071 0.000 1.089 415 I HN 0.356 nan 8.210 nan 0.000 0.441 416 K N 0.694 121.080 120.400 -0.023 0.000 2.459 416 K HA 0.325 4.646 4.320 0.002 0.000 0.193 416 K C 1.062 177.623 176.600 -0.065 0.000 1.030 416 K CA 0.517 56.777 56.287 -0.044 0.000 1.026 416 K CB -0.246 32.234 32.500 -0.032 0.000 0.809 416 K HN 0.508 nan 8.250 nan 0.000 0.504 417 G N 0.154 108.917 108.800 -0.061 0.000 2.587 417 G HA2 0.110 4.071 3.960 0.002 0.000 0.212 417 G HA3 0.110 4.071 3.960 0.002 0.000 0.212 417 G C 0.214 175.086 174.900 -0.047 0.000 1.327 417 G CA -0.527 44.527 45.100 -0.077 0.000 0.898 417 G HN 0.632 nan 8.290 nan 0.000 0.551 418 G N -1.114 107.655 108.800 -0.051 0.000 2.445 418 G HA2 0.210 4.171 3.960 0.002 0.000 0.212 418 G HA3 0.210 4.171 3.960 0.002 0.000 0.212 418 G C -0.047 174.851 174.900 -0.003 0.000 1.217 418 G CA 0.512 45.594 45.100 -0.030 0.000 1.002 418 G HN 1.331 nan 8.290 nan 0.000 0.574 419 K N 1.294 121.694 120.400 0.001 0.000 2.270 419 K HA 0.518 4.839 4.320 0.002 0.000 0.276 419 K C 0.726 177.343 176.600 0.027 0.000 1.023 419 K CA 0.405 56.699 56.287 0.012 0.000 0.955 419 K CB 0.945 33.445 32.500 -0.000 0.000 0.975 419 K HN 0.833 nan 8.250 nan 0.000 0.471 420 T N -0.673 113.901 114.554 0.034 0.000 2.918 420 T HA 0.293 4.644 4.350 0.002 0.000 0.283 420 T C -0.315 174.419 174.700 0.055 0.000 1.001 420 T CA -0.926 61.205 62.100 0.051 0.000 1.041 420 T CB 1.317 70.178 68.868 -0.012 0.000 1.028 420 T HN 0.483 nan 8.240 nan 0.000 0.511 421 K N 1.343 121.777 120.400 0.056 0.000 2.450 421 K HA 0.233 4.554 4.320 0.002 0.000 0.257 421 K C -1.157 175.419 176.600 -0.040 0.000 0.953 421 K CA -0.658 55.638 56.287 0.014 0.000 0.844 421 K CB 1.093 33.580 32.500 -0.021 0.000 1.103 421 K HN 0.692 nan 8.250 nan 0.000 0.429 422 D N 4.916 125.250 120.400 -0.110 0.000 2.358 422 D HA 0.036 4.677 4.640 0.002 0.000 0.258 422 D C 0.636 176.751 176.300 -0.309 0.000 1.223 422 D CA 0.028 53.746 54.000 -0.469 0.000 0.886 422 D CB 0.852 41.432 40.800 -0.367 0.000 1.120 422 D HN 0.593 nan 8.370 nan 0.000 0.482 423 L N 2.733 123.763 121.223 -0.323 0.000 2.567 423 L HA 0.094 4.435 4.340 0.002 0.000 0.225 423 L C 1.006 177.727 176.870 -0.249 0.000 1.119 423 L CA 0.328 55.069 54.840 -0.165 0.000 0.871 423 L CB 0.020 42.089 42.059 0.016 0.000 1.036 423 L HN 0.479 nan 8.230 nan 0.000 0.459 424 T N -4.260 110.038 114.554 -0.426 0.000 3.583 424 T HA 0.239 4.590 4.350 0.002 0.000 0.266 424 T C -1.937 172.314 174.700 -0.748 0.000 1.296 424 T CA -1.223 60.434 62.100 -0.737 0.000 1.668 424 T CB 0.796 68.929 68.868 -1.225 0.000 0.832 424 T HN -0.156 nan 8.240 nan 0.000 0.649 425 P HA -0.084 nan 4.420 nan 0.000 0.222 425 P C 0.493 177.742 177.300 -0.085 0.000 1.147 425 P CA 0.611 63.636 63.100 -0.125 0.000 0.790 425 P CB 0.243 31.885 31.700 -0.096 0.000 0.780 426 E N 1.138 121.203 120.200 -0.225 0.000 2.417 426 E HA 0.065 4.416 4.350 0.002 0.000 0.261 426 E C -0.131 176.434 176.600 -0.057 0.000 1.000 426 E CA -0.261 56.011 56.400 -0.214 0.000 0.919 426 E CB 0.141 29.500 29.700 -0.568 0.000 0.955 426 E HN -0.099 nan 8.360 nan 0.000 0.455 427 S N 3.017 118.781 115.700 0.107 0.000 2.546 427 S HA 0.417 4.888 4.470 0.002 0.000 0.290 427 S C 0.149 174.980 174.600 0.385 0.000 1.262 427 S CA 0.701 59.055 58.200 0.257 0.000 1.083 427 S CB -0.210 63.095 63.200 0.176 0.000 0.859 427 S HN 0.771 nan 8.310 nan 0.000 0.495 428 G N 4.441 113.469 108.800 0.380 0.000 2.356 428 G HA2 0.153 4.114 3.960 0.002 0.000 0.266 428 G HA3 0.153 4.114 3.960 0.002 0.000 0.266 428 G C -1.558 173.419 174.900 0.128 0.000 1.312 428 G CA -0.833 44.411 45.100 0.241 0.000 0.922 428 G HN 0.563 nan 8.290 nan 0.000 0.480 429 M N 2.190 121.718 119.600 -0.121 0.000 2.066 429 M HA 0.420 4.901 4.480 0.002 0.000 0.340 429 M C -0.843 175.398 176.300 -0.098 0.000 1.053 429 M CA -0.415 54.852 55.300 -0.055 0.000 0.983 429 M CB 0.595 33.149 32.600 -0.078 0.000 1.520 429 M HN 0.507 nan 8.290 nan 0.000 0.428 430 H N 2.871 122.026 119.070 0.141 0.000 2.476 430 H HA 0.474 5.031 4.556 0.002 0.000 0.328 430 H C -0.465 174.911 175.328 0.079 0.000 1.073 430 H CA -0.585 55.528 56.048 0.109 0.000 1.229 430 H CB 1.431 31.202 29.762 0.015 0.000 1.432 430 H HN 0.331 nan 8.280 nan 0.000 0.477 431 R N 1.864 122.447 120.500 0.140 0.000 2.337 431 R HA 0.330 4.671 4.340 0.002 0.000 0.319 431 R C -0.636 175.666 176.300 0.004 0.000 0.954 431 R CA -0.493 55.657 56.100 0.083 0.000 0.840 431 R CB 0.996 31.324 30.300 0.047 0.000 1.164 431 R HN 0.514 nan 8.270 nan 0.000 0.472 432 T N 2.587 117.095 114.554 -0.077 0.000 2.885 432 T HA 0.486 4.837 4.350 0.002 0.000 0.285 432 T C -0.535 173.975 174.700 -0.317 0.000 1.019 432 T CA -0.858 61.044 62.100 -0.331 0.000 1.010 432 T CB 1.865 70.219 68.868 -0.857 0.000 1.022 432 T HN 0.324 nan 8.240 nan 0.000 0.466 433 Q N 1.694 121.362 119.800 -0.221 0.000 2.333 433 Q HA 0.498 4.839 4.340 0.002 0.000 0.268 433 Q C -1.151 174.870 176.000 0.036 0.000 1.007 433 Q CA -0.956 54.841 55.803 -0.010 0.000 0.810 433 Q CB 2.218 31.048 28.738 0.154 0.000 1.264 433 Q HN 0.430 nan 8.270 nan 0.000 0.452 434 L N 2.618 123.806 121.223 -0.058 0.000 2.331 434 L HA 0.247 4.588 4.340 0.002 0.000 0.278 434 L C 0.056 176.724 176.870 -0.337 0.000 1.106 434 L CA 0.313 55.056 54.840 -0.162 0.000 0.824 434 L CB 1.162 43.165 42.059 -0.092 0.000 1.142 434 L HN 0.717 nan 8.230 nan 0.000 0.443 435 S N 4.451 119.673 115.700 -0.796 0.000 2.584 435 S HA 0.301 4.772 4.470 0.002 0.000 0.270 435 S C -1.747 172.476 174.600 -0.629 0.000 1.346 435 S CA -0.642 56.678 58.200 -1.467 0.000 1.018 435 S CB 0.380 62.421 63.200 -1.932 0.000 0.899 435 S HN 0.670 nan 8.310 nan 0.000 0.542 436 P HA -0.100 nan 4.420 nan 0.000 0.216 436 P C 0.575 177.783 177.300 -0.153 0.000 1.150 436 P CA 1.416 64.417 63.100 -0.164 0.000 0.843 436 P CB -0.059 31.602 31.700 -0.066 0.000 0.787 437 D N -1.491 118.775 120.400 -0.224 0.000 2.088 437 D HA -0.022 4.619 4.640 0.002 0.000 0.191 437 D C 1.641 177.862 176.300 -0.132 0.000 0.992 437 D CA 2.241 56.150 54.000 -0.152 0.000 0.831 437 D CB -0.791 39.903 40.800 -0.177 0.000 0.973 437 D HN 0.214 nan 8.370 nan 0.000 0.447 438 G N -1.363 107.300 108.800 -0.228 0.000 2.159 438 G HA2 -0.215 3.746 3.960 0.002 0.000 0.170 438 G HA3 -0.215 3.746 3.960 0.002 0.000 0.170 438 G C 0.976 175.759 174.900 -0.195 0.000 1.007 438 G CA 0.896 45.867 45.100 -0.215 0.000 0.672 438 G HN 0.421 nan 8.290 nan 0.000 0.507 439 S N -1.254 114.330 115.700 -0.193 0.000 2.497 439 S HA 0.760 5.231 4.470 0.002 0.000 0.221 439 S C 1.100 175.631 174.600 -0.116 0.000 1.037 439 S CA 1.339 59.473 58.200 -0.110 0.000 0.920 439 S CB 0.686 63.843 63.200 -0.072 0.000 0.800 439 S HN 1.918 nan 8.310 nan 0.000 0.505 440 A N 1.319 124.009 122.820 -0.217 0.000 2.485 440 A HA 0.869 5.190 4.320 0.002 0.000 0.292 440 A C -0.885 176.643 177.584 -0.093 0.000 1.147 440 A CA -1.132 50.846 52.037 -0.099 0.000 0.750 440 A CB 1.117 20.143 19.000 0.045 0.000 1.331 440 A HN 0.825 nan 8.150 nan 0.000 0.419 441 I N -1.866 118.779 120.570 0.123 0.000 2.769 441 I HA 0.676 4.847 4.170 0.002 0.000 0.298 441 I C -1.363 174.868 176.117 0.190 0.000 1.128 441 I CA -0.846 60.536 61.300 0.138 0.000 1.031 441 I CB 2.055 39.973 38.000 -0.136 0.000 1.235 441 I HN 0.467 nan 8.210 nan 0.000 0.423 442 I N 3.333 123.997 120.570 0.156 0.000 2.321 442 I HA 0.351 4.522 4.170 0.002 0.000 0.291 442 I C -1.029 175.003 176.117 -0.141 0.000 0.998 442 I CA 0.074 61.303 61.300 -0.118 0.000 1.227 442 I CB 1.428 39.259 38.000 -0.282 0.000 1.368 442 I HN 0.626 nan 8.210 nan 0.000 0.466 443 D N 7.328 127.639 120.400 -0.147 0.000 2.502 443 D HA 0.511 5.152 4.640 0.002 0.000 0.249 443 D C -0.891 175.382 176.300 -0.045 0.000 1.092 443 D CA -0.311 53.635 54.000 -0.091 0.000 0.839 443 D CB 1.415 42.174 40.800 -0.069 0.000 1.264 443 D HN 0.294 nan 8.370 nan 0.000 0.511 444 I N 4.414 124.978 120.570 -0.010 0.000 2.354 444 I HA 0.319 4.490 4.170 0.002 0.000 0.286 444 I C -0.812 175.329 176.117 0.039 0.000 1.007 444 I CA -0.966 60.323 61.300 -0.019 0.000 1.167 444 I CB 0.820 38.783 38.000 -0.062 0.000 1.320 444 I HN 0.307 nan 8.210 nan 0.000 0.458 445 F N 6.908 126.765 119.950 -0.156 0.000 2.507 445 F HA 0.645 5.173 4.527 0.002 0.000 0.327 445 F C -0.511 175.147 175.800 -0.237 0.000 1.068 445 F CA -0.263 57.567 58.000 -0.283 0.000 0.965 445 F CB 1.504 40.303 39.000 -0.335 0.000 1.192 445 F HN 0.536 nan 8.300 nan 0.000 0.476 446 Q N 2.860 121.824 119.800 -1.393 0.000 2.479 446 Q HA 0.650 4.991 4.340 0.002 0.000 0.276 446 Q C -1.963 173.352 176.000 -1.142 0.000 0.989 446 Q CA -0.905 54.272 55.803 -1.043 0.000 0.864 446 Q CB 1.980 30.457 28.738 -0.434 0.000 1.444 446 Q HN 0.794 nan 8.270 nan 0.000 0.388 447 S N -0.388 114.930 115.700 -0.637 0.000 2.705 447 S HA 0.631 5.102 4.470 0.002 0.000 0.280 447 S C -2.485 172.153 174.600 0.062 0.000 1.174 447 S CA -1.204 56.830 58.200 -0.277 0.000 0.823 447 S CB 1.505 64.606 63.200 -0.165 0.000 1.162 447 S HN 0.452 nan 8.310 nan 0.000 0.487 448 P HA -0.005 nan 4.420 nan 0.000 0.220 448 P C 1.288 178.755 177.300 0.278 0.000 1.148 448 P CA 1.877 65.041 63.100 0.107 0.000 0.803 448 P CB -0.186 31.522 31.700 0.012 0.000 0.782 449 T N -5.612 109.080 114.554 0.229 0.000 3.022 449 T HA 0.170 4.521 4.350 0.002 0.000 0.250 449 T C 0.503 175.285 174.700 0.137 0.000 1.060 449 T CA 0.023 62.261 62.100 0.230 0.000 1.013 449 T CB -0.309 68.632 68.868 0.122 0.000 0.982 449 T HN -0.216 nan 8.240 nan 0.000 0.508 450 V N 3.383 123.316 119.914 0.032 0.000 2.326 450 V HA 0.331 4.452 4.120 0.002 0.000 0.281 450 V C -1.774 174.011 176.094 -0.515 0.000 1.015 450 V CA -1.857 60.319 62.300 -0.205 0.000 0.823 450 V CB 1.774 33.551 31.823 -0.076 0.000 1.009 450 V HN 0.027 nan 8.190 nan 0.000 0.436 451 P HA -0.076 nan 4.420 nan 0.000 0.213 451 P C 0.280 177.148 177.300 -0.721 0.000 1.170 451 P CA 1.409 63.621 63.100 -1.480 0.000 0.902 451 P CB 0.240 31.158 31.700 -1.303 0.000 0.789 452 R N -2.709 117.500 120.500 -0.485 0.000 2.604 452 R HA 0.397 4.738 4.340 0.002 0.000 0.261 452 R C -1.060 175.127 176.300 -0.188 0.000 1.080 452 R CA -0.732 55.181 56.100 -0.310 0.000 0.917 452 R CB 1.980 32.121 30.300 -0.265 0.000 1.252 452 R HN -0.186 nan 8.270 nan 0.000 0.456 453 K N 2.603 122.955 120.400 -0.080 0.000 2.690 453 K HA 0.282 4.603 4.320 0.002 0.000 0.243 453 K C -1.388 175.193 176.600 -0.032 0.000 0.982 453 K CA -0.465 55.811 56.287 -0.018 0.000 0.955 453 K CB 1.736 34.307 32.500 0.118 0.000 1.185 453 K HN 0.288 nan 8.250 nan 0.000 0.467 454 V N 3.551 123.398 119.914 -0.113 0.000 2.461 454 V HA 0.337 4.458 4.120 0.002 0.000 0.275 454 V C -0.117 175.867 176.094 -0.184 0.000 1.047 454 V CA -0.041 62.166 62.300 -0.156 0.000 0.955 454 V CB 1.397 33.087 31.823 -0.222 0.000 0.988 454 V HN 0.782 nan 8.190 nan 0.000 0.471 455 T N 4.155 118.603 114.554 -0.176 0.000 2.900 455 T HA 0.619 4.970 4.350 0.002 0.000 0.295 455 T C -0.744 173.810 174.700 -0.245 0.000 1.044 455 T CA -0.456 61.528 62.100 -0.193 0.000 0.995 455 T CB 2.017 70.814 68.868 -0.119 0.000 1.072 455 T HN 0.304 nan 8.240 nan 0.000 0.473 456 V N 2.841 122.587 119.914 -0.281 0.000 2.444 456 V HA 0.633 4.754 4.120 0.002 0.000 0.294 456 V C -0.300 175.736 176.094 -0.097 0.000 1.022 456 V CA -0.567 61.553 62.300 -0.299 0.000 0.850 456 V CB 1.873 33.273 31.823 -0.704 0.000 0.992 456 V HN 1.035 nan 8.190 nan 0.000 0.426 457 T N 3.952 118.498 114.554 -0.013 0.000 2.881 457 T HA 0.387 4.738 4.350 0.002 0.000 0.290 457 T C -0.345 174.391 174.700 0.061 0.000 1.000 457 T CA -0.678 61.435 62.100 0.022 0.000 0.978 457 T CB 1.204 70.065 68.868 -0.012 0.000 0.997 457 T HN 0.531 nan 8.240 nan 0.000 0.443 458 N N 3.243 121.982 118.700 0.065 0.000 2.402 458 N HA 0.216 4.957 4.740 0.002 0.000 0.252 458 N C 0.263 175.796 175.510 0.037 0.000 1.118 458 N CA -0.191 52.894 53.050 0.058 0.000 0.945 458 N CB 0.546 39.071 38.487 0.064 0.000 1.147 458 N HN 0.618 nan 8.380 nan 0.000 0.495 459 I N 1.517 122.105 120.570 0.030 0.000 3.045 459 I HA -0.244 3.927 4.170 0.002 0.000 0.306 459 I C 1.612 177.757 176.117 0.047 0.000 1.232 459 I CA 0.861 62.189 61.300 0.046 0.000 1.415 459 I CB -0.355 37.688 38.000 0.072 0.000 1.364 459 I HN 0.785 nan 8.210 nan 0.000 0.538 460 G N 4.950 113.772 108.800 0.037 0.000 2.399 460 G HA2 -0.232 3.729 3.960 0.002 0.000 0.216 460 G HA3 -0.232 3.729 3.960 0.002 0.000 0.216 460 G C 0.676 175.588 174.900 0.020 0.000 1.096 460 G CA -0.044 45.074 45.100 0.029 0.000 0.650 460 G HN 0.525 nan 8.290 nan 0.000 0.512 461 K N 0.582 120.995 120.400 0.023 0.000 2.959 461 K HA 0.525 4.846 4.320 0.002 0.000 0.336 461 K C 1.272 177.880 176.600 0.014 0.000 0.984 461 K CA -0.037 56.262 56.287 0.020 0.000 1.325 461 K CB -0.190 32.327 32.500 0.029 0.000 1.390 461 K HN 0.397 nan 8.250 nan 0.000 0.615 462 G N -0.135 108.675 108.800 0.017 0.000 2.488 462 G HA2 0.358 4.319 3.960 0.002 0.000 0.318 462 G HA3 0.358 4.319 3.960 0.002 0.000 0.318 462 G C -1.001 173.910 174.900 0.019 0.000 1.188 462 G CA -0.501 44.605 45.100 0.010 0.000 0.944 462 G HN 0.319 nan 8.290 nan 0.000 0.495 463 S N -0.993 114.715 115.700 0.013 0.000 2.472 463 S HA 0.408 4.879 4.470 0.002 0.000 0.303 463 S C -0.836 173.808 174.600 0.073 0.000 1.099 463 S CA -0.557 57.655 58.200 0.020 0.000 1.077 463 S CB 1.256 64.444 63.200 -0.021 0.000 1.031 463 S HN 0.668 nan 8.310 nan 0.000 0.487 464 H N 1.371 120.408 119.070 -0.055 0.000 2.505 464 H HA 0.362 4.919 4.556 0.002 0.000 0.338 464 H C -0.864 174.415 175.328 -0.083 0.000 1.057 464 H CA -0.604 55.415 56.048 -0.049 0.000 1.202 464 H CB 0.795 30.544 29.762 -0.020 0.000 1.466 464 H HN 0.453 nan 8.280 nan 0.000 0.499 465 T N 6.858 121.465 114.554 0.089 0.000 2.729 465 T HA 0.054 4.405 4.350 0.002 0.000 0.296 465 T C 1.185 175.702 174.700 -0.305 0.000 0.928 465 T CA -0.516 61.519 62.100 -0.109 0.000 1.045 465 T CB 0.617 69.469 68.868 -0.027 0.000 0.902 465 T HN 0.442 nan 8.240 nan 0.000 0.500 466 L N 3.626 124.611 121.223 -0.395 0.000 2.209 466 L HA 0.366 4.707 4.340 0.002 0.000 0.207 466 L C 0.483 177.191 176.870 -0.269 0.000 1.094 466 L CA 1.052 55.651 54.840 -0.402 0.000 0.790 466 L CB -0.162 41.646 42.059 -0.418 0.000 0.932 466 L HN 0.450 nan 8.230 nan 0.000 0.447 467 L N -0.591 120.496 121.223 -0.227 0.000 2.582 467 L HA 0.438 4.779 4.340 0.002 0.000 0.257 467 L C -1.813 174.969 176.870 -0.148 0.000 0.974 467 L CA -0.237 54.492 54.840 -0.185 0.000 0.851 467 L CB 2.200 44.125 42.059 -0.223 0.000 1.424 467 L HN 0.162 nan 8.230 nan 0.000 0.412 468 E N 2.848 122.971 120.200 -0.129 0.000 2.454 468 E HA 0.619 4.970 4.350 0.002 0.000 0.315 468 E C -1.547 174.973 176.600 -0.134 0.000 0.907 468 E CA -0.349 55.979 56.400 -0.121 0.000 0.797 468 E CB 1.691 31.340 29.700 -0.085 0.000 1.396 468 E HN 0.857 nan 8.360 nan 0.000 0.389 469 A N 2.710 125.423 122.820 -0.179 0.000 2.286 469 A HA 0.896 5.217 4.320 0.002 0.000 0.286 469 A C -0.099 177.350 177.584 -0.226 0.000 1.097 469 A CA 0.277 52.197 52.037 -0.194 0.000 0.821 469 A CB 1.158 20.019 19.000 -0.232 0.000 1.076 469 A HN 0.678 nan 8.150 nan 0.000 0.490 475 G N -0.050 108.465 108.800 -0.475 0.000 2.920 475 G HA2 0.405 4.366 3.960 0.002 0.000 0.208 475 G HA3 0.405 4.366 3.960 0.002 0.000 0.208 475 G C 0.111 174.984 174.900 -0.045 0.000 1.159 475 G CA 0.369 45.373 45.100 -0.161 0.000 0.784 475 G HN 0.811 nan 8.290 nan 0.000 0.535 476 Y N -1.550 118.768 120.300 0.030 0.000 2.772 476 Y HA 0.836 5.387 4.550 0.002 0.000 0.324 476 Y C 0.282 176.203 175.900 0.036 0.000 1.169 476 Y CA -1.963 56.163 58.100 0.043 0.000 1.198 476 Y CB 0.605 39.089 38.460 0.039 0.000 1.402 476 Y HN 0.060 nan 8.280 nan 0.000 0.577 477 A N 0.883 123.850 122.820 0.245 0.000 2.387 477 A HA 0.908 5.229 4.320 0.002 0.000 0.303 477 A C -1.004 176.612 177.584 0.053 0.000 1.145 477 A CA -0.938 51.153 52.037 0.091 0.000 0.801 477 A CB 1.564 20.591 19.000 0.046 0.000 1.342 477 A HN 0.636 nan 8.150 nan 0.000 0.440 478 M N 0.339 119.923 119.600 -0.026 0.000 2.531 478 M HA 0.399 4.880 4.480 0.002 0.000 0.286 478 M C -2.769 173.462 176.300 -0.115 0.000 1.232 478 M CA -2.066 53.197 55.300 -0.061 0.000 0.877 478 M CB 1.226 33.798 32.600 -0.046 0.000 1.726 478 M HN 0.348 nan 8.290 nan 0.000 0.463 479 P HA 0.078 nan 4.420 nan 0.000 0.264 479 P C -0.476 176.730 177.300 -0.158 0.000 1.193 479 P CA 0.113 63.117 63.100 -0.160 0.000 0.763 479 P CB 0.448 32.053 31.700 -0.159 0.000 0.810 480 E N 3.101 123.203 120.200 -0.163 0.000 2.354 480 E HA 0.188 4.539 4.350 0.002 0.000 0.269 480 E C -0.642 175.863 176.600 -0.158 0.000 1.036 480 E CA -0.300 56.009 56.400 -0.152 0.000 0.876 480 E CB 0.433 30.041 29.700 -0.153 0.000 1.009 480 E HN 0.366 nan 8.360 nan 0.000 0.416 481 I N 4.943 125.435 120.570 -0.130 0.000 2.362 481 I HA 0.342 4.513 4.170 0.002 0.000 0.289 481 I C 0.112 176.198 176.117 -0.051 0.000 0.994 481 I CA -0.592 60.650 61.300 -0.098 0.000 1.158 481 I CB 1.438 39.363 38.000 -0.126 0.000 1.315 481 I HN 0.372 nan 8.210 nan 0.000 0.451 482 R N 3.620 124.128 120.500 0.012 0.000 2.664 482 R HA 0.728 5.069 4.340 0.002 0.000 0.286 482 R C -0.569 175.799 176.300 0.115 0.000 0.967 482 R CA -0.676 55.471 56.100 0.078 0.000 0.933 482 R CB 2.373 32.764 30.300 0.152 0.000 1.146 482 R HN 0.679 nan 8.270 nan 0.000 0.468 483 T N -1.606 112.955 114.554 0.013 0.000 2.896 483 T HA 0.862 5.213 4.350 0.002 0.000 0.297 483 T C -0.018 174.411 174.700 -0.451 0.000 1.108 483 T CA -0.713 61.255 62.100 -0.220 0.000 1.004 483 T CB 2.487 71.257 68.868 -0.163 0.000 1.159 483 T HN 0.761 nan 8.240 nan 0.000 0.499 484 G N 0.151 108.309 108.800 -1.070 0.000 2.427 484 G HA2 0.596 4.557 3.960 0.002 0.000 0.306 484 G HA3 0.596 4.557 3.960 0.002 0.000 0.306 484 G C -1.458 173.004 174.900 -0.730 0.000 1.280 484 G CA -0.644 43.981 45.100 -0.791 0.000 0.837 484 G HN 0.915 nan 8.290 nan 0.000 0.482 485 T N 0.329 114.728 114.554 -0.259 0.000 2.903 485 T HA 0.710 5.061 4.350 0.002 0.000 0.299 485 T C -0.389 174.310 174.700 -0.002 0.000 1.093 485 T CA -0.204 61.806 62.100 -0.150 0.000 1.002 485 T CB 1.552 70.318 68.868 -0.171 0.000 1.127 485 T HN 1.112 nan 8.240 nan 0.000 0.488 486 I N -1.580 118.979 120.570 -0.018 0.000 2.994 486 I HA 0.677 4.848 4.170 0.002 0.000 0.306 486 I C -0.965 175.145 176.117 -0.012 0.000 1.195 486 I CA -1.511 59.796 61.300 0.012 0.000 1.001 486 I CB 1.865 39.877 38.000 0.020 0.000 1.244 486 I HN 0.330 nan 8.210 nan 0.000 0.437 487 M N 2.977 122.586 119.600 0.015 0.000 2.235 487 M HA 0.487 4.968 4.480 0.002 0.000 0.351 487 M C 0.509 176.821 176.300 0.019 0.000 1.178 487 M CA -0.023 55.285 55.300 0.012 0.000 1.143 487 M CB 1.174 33.788 32.600 0.023 0.000 1.530 487 M HN 0.924 nan 8.290 nan 0.000 0.461 488 A N 2.549 125.378 122.820 0.014 0.000 2.292 488 A HA 0.533 4.854 4.320 0.002 0.000 0.265 488 A C 1.218 178.804 177.584 0.004 0.000 1.133 488 A CA 0.374 52.414 52.037 0.005 0.000 0.807 488 A CB -0.225 18.763 19.000 -0.020 0.000 1.102 488 A HN 0.957 nan 8.150 nan 0.000 0.502 489 A N -0.492 122.324 122.820 -0.006 0.000 2.178 489 A HA -0.069 4.252 4.320 0.002 0.000 0.218 489 A C 1.276 178.860 177.584 0.000 0.000 1.157 489 A CA 1.847 53.883 52.037 -0.000 0.000 0.689 489 A CB -0.702 18.297 19.000 -0.002 0.000 0.787 489 A HN 0.837 nan 8.150 nan 0.000 0.465 490 D N -2.051 118.345 120.400 -0.005 0.000 2.349 490 D HA 0.207 4.848 4.640 0.002 0.000 0.215 490 D C 1.252 177.560 176.300 0.012 0.000 1.016 490 D CA 0.841 54.842 54.000 0.001 0.000 0.870 490 D CB -0.755 40.042 40.800 -0.005 0.000 0.917 490 D HN 0.669 nan 8.370 nan 0.000 0.524 491 G N 0.288 109.097 108.800 0.014 0.000 2.168 491 G HA2 -0.393 3.568 3.960 0.002 0.000 0.263 491 G HA3 -0.393 3.568 3.960 0.002 0.000 0.263 491 G C 0.889 175.804 174.900 0.026 0.000 0.977 491 G CA 0.905 46.018 45.100 0.021 0.000 0.659 491 G HN 0.507 nan 8.290 nan 0.000 0.533 492 Q N -1.358 118.459 119.800 0.028 0.000 2.586 492 Q HA 0.143 4.484 4.340 0.002 0.000 0.243 492 Q C 0.585 176.615 176.000 0.051 0.000 0.846 492 Q CA 0.618 56.444 55.803 0.039 0.000 0.959 492 Q CB 0.535 29.299 28.738 0.043 0.000 1.227 492 Q HN 0.364 nan 8.270 nan 0.000 0.611 493 T N 5.099 119.686 114.554 0.055 0.000 2.779 493 T HA 0.178 4.529 4.350 0.002 0.000 0.296 493 T C -2.453 172.284 174.700 0.062 0.000 0.938 493 T CA -0.889 61.267 62.100 0.092 0.000 1.119 493 T CB 0.764 69.699 68.868 0.111 0.000 0.891 493 T HN 0.044 nan 8.240 nan 0.000 0.526 494 P HA 0.341 nan 4.420 nan 0.000 0.281 494 P C -0.895 176.265 177.300 -0.234 0.000 1.252 494 P CA -0.444 62.584 63.100 -0.120 0.000 0.778 494 P CB 0.846 32.452 31.700 -0.157 0.000 0.895 495 L N 4.105 125.165 121.223 -0.272 0.000 2.346 495 L HA 0.460 4.801 4.340 0.002 0.000 0.276 495 L C -0.048 176.572 176.870 -0.418 0.000 1.006 495 L CA -1.118 53.597 54.840 -0.208 0.000 0.817 495 L CB 1.111 43.182 42.059 0.021 0.000 1.272 495 L HN 0.337 nan 8.230 nan 0.000 0.421 496 Y N 1.900 122.228 120.300 0.048 0.000 2.323 496 Y HA 0.460 5.011 4.550 0.002 0.000 0.331 496 Y C -0.128 175.748 175.900 -0.039 0.000 1.092 496 Y CA -0.580 57.487 58.100 -0.055 0.000 1.150 496 Y CB 1.150 39.559 38.460 -0.084 0.000 1.200 496 Y HN 0.427 nan 8.280 nan 0.000 0.472 497 Y N -0.322 119.975 120.300 -0.005 0.000 2.602 497 Y HA 0.772 5.323 4.550 0.002 0.000 0.342 497 Y C -1.359 174.464 175.900 -0.129 0.000 1.029 497 Y CA -2.236 55.754 58.100 -0.183 0.000 1.080 497 Y CB 1.618 39.889 38.460 -0.314 0.000 1.284 497 Y HN 0.493 nan 8.280 nan 0.000 0.485 498 K N 2.353 122.799 120.400 0.077 0.000 2.471 498 K HA 0.634 4.955 4.320 0.002 0.000 0.252 498 K C -2.392 174.312 176.600 0.173 0.000 0.938 498 K CA -0.927 55.413 56.287 0.088 0.000 0.796 498 K CB 1.806 34.304 32.500 -0.002 0.000 1.161 498 K HN 0.804 nan 8.250 nan 0.000 0.425 499 L N 3.434 124.829 121.223 0.287 0.000 2.343 499 L HA 0.430 4.771 4.340 0.002 0.000 0.278 499 L C -1.173 175.776 176.870 0.133 0.000 0.996 499 L CA 0.091 55.125 54.840 0.323 0.000 0.831 499 L CB 1.897 44.266 42.059 0.517 0.000 1.232 499 L HN 0.562 nan 8.230 nan 0.000 0.413 500 T N 6.243 120.847 114.554 0.083 0.000 2.738 500 T HA 0.432 4.783 4.350 0.002 0.000 0.298 500 T C 0.347 174.990 174.700 -0.095 0.000 0.962 500 T CA -0.504 61.577 62.100 -0.032 0.000 0.972 500 T CB 0.333 69.174 68.868 -0.044 0.000 0.928 500 T HN 0.402 nan 8.240 nan 0.000 0.474 501 M N 4.147 123.612 119.600 -0.226 0.000 2.240 501 M HA 0.301 4.781 4.480 0.002 0.000 0.333 501 M C -2.258 173.841 176.300 -0.334 0.000 1.110 501 M CA -3.356 51.681 55.300 -0.439 0.000 1.173 501 M CB -0.505 31.688 32.600 -0.677 0.000 1.458 501 M HN 0.175 nan 8.290 nan 0.000 0.458 502 P HA 0.083 nan 4.420 nan 0.000 0.267 502 P C -0.396 176.793 177.300 -0.184 0.000 1.200 502 P CA -0.517 62.436 63.100 -0.245 0.000 0.772 502 P CB 0.322 31.787 31.700 -0.391 0.000 0.855 503 L N 5.029 126.157 121.223 -0.159 0.000 2.485 503 L HA 0.061 4.402 4.340 0.002 0.000 0.275 503 L C 0.651 177.404 176.870 -0.195 0.000 1.207 503 L CA 0.617 55.291 54.840 -0.278 0.000 0.855 503 L CB -0.883 40.949 42.059 -0.379 0.000 1.114 503 L HN 0.531 nan 8.230 nan 0.000 0.485 504 H N 2.244 121.324 119.070 0.018 0.000 2.899 504 H HA -0.270 4.287 4.556 0.002 0.000 0.282 504 H C 0.016 175.362 175.328 0.030 0.000 1.198 504 H CA 0.807 56.871 56.048 0.027 0.000 1.140 504 H CB -2.452 27.332 29.762 0.037 0.000 1.317 504 H HN 0.564 nan 8.280 nan 0.000 0.375 505 F N 2.799 122.684 119.950 -0.108 0.000 2.623 505 F HA 0.079 4.607 4.527 0.002 0.000 0.386 505 F C 0.617 176.377 175.800 -0.067 0.000 1.068 505 F CA 0.215 58.061 58.000 -0.257 0.000 1.265 505 F CB 0.500 39.227 39.000 -0.456 0.000 1.026 505 F HN 0.156 nan 8.300 nan 0.000 0.568 506 D N 9.070 129.019 120.400 -0.752 0.000 2.453 506 D HA 0.243 4.884 4.640 0.002 0.000 0.238 506 D C -1.813 173.926 176.300 -0.935 0.000 1.088 506 D CA -2.118 51.521 54.000 -0.603 0.000 0.854 506 D CB 1.780 42.482 40.800 -0.163 0.000 1.076 506 D HN 0.292 nan 8.370 nan 0.000 0.533 507 P HA -0.138 nan 4.420 nan 0.000 0.222 507 P C 0.833 178.077 177.300 -0.092 0.000 1.142 507 P CA 0.608 63.422 63.100 -0.477 0.000 0.788 507 P CB 0.327 31.943 31.700 -0.139 0.000 0.767 508 A N -0.988 121.758 122.820 -0.124 0.000 2.218 508 A HA 0.064 4.385 4.320 0.002 0.000 0.209 508 A C 1.152 178.716 177.584 -0.033 0.000 1.168 508 A CA 0.384 52.396 52.037 -0.043 0.000 0.804 508 A CB -0.346 18.619 19.000 -0.058 0.000 0.834 508 A HN 0.181 nan 8.150 nan 0.000 0.482 509 K N 0.077 120.452 120.400 -0.042 0.000 2.211 509 K HA 0.462 4.783 4.320 0.002 0.000 0.237 509 K C -0.679 175.890 176.600 -0.052 0.000 1.002 509 K CA -0.901 55.308 56.287 -0.131 0.000 0.885 509 K CB 0.950 33.245 32.500 -0.341 0.000 1.136 509 K HN -0.091 nan 8.250 nan 0.000 0.448 510 K N 1.462 121.737 120.400 -0.208 0.000 2.138 510 K HA 0.369 4.690 4.320 0.002 0.000 0.263 510 K C -1.030 175.410 176.600 -0.266 0.000 0.965 510 K CA -0.378 55.865 56.287 -0.074 0.000 0.868 510 K CB 0.951 33.401 32.500 -0.084 0.000 1.083 510 K HN 0.462 nan 8.250 nan 0.000 0.443 511 Y N 1.495 121.886 120.300 0.151 0.000 2.512 511 Y HA 0.312 4.863 4.550 0.002 0.000 0.348 511 Y C -2.028 173.880 175.900 0.013 0.000 0.990 511 Y CA -2.135 56.026 58.100 0.101 0.000 1.033 511 Y CB 2.054 40.676 38.460 0.270 0.000 1.259 511 Y HN 0.457 nan 8.280 nan 0.000 0.461 512 P HA 0.277 nan 4.420 nan 0.000 0.276 512 P C -1.171 176.192 177.300 0.105 0.000 1.244 512 P CA -0.254 62.838 63.100 -0.015 0.000 0.801 512 P CB 2.460 34.017 31.700 -0.238 0.000 1.006 513 V N 3.061 123.061 119.914 0.144 0.000 2.841 513 V HA 0.514 4.635 4.120 0.002 0.000 0.310 513 V C -0.933 175.285 176.094 0.207 0.000 1.090 513 V CA -1.017 61.391 62.300 0.180 0.000 0.930 513 V CB 1.786 33.667 31.823 0.097 0.000 1.014 513 V HN 0.335 nan 8.190 nan 0.000 0.425 514 I N 6.071 126.773 120.570 0.220 0.000 2.406 514 I HA 0.443 4.614 4.170 0.002 0.000 0.290 514 I C -0.444 175.875 176.117 0.337 0.000 0.999 514 I CA -0.981 60.446 61.300 0.211 0.000 1.124 514 I CB 2.099 40.098 38.000 -0.002 0.000 1.289 514 I HN 0.313 nan 8.210 nan 0.000 0.441 515 V N 6.862 127.007 119.914 0.384 0.000 2.408 515 V HA 0.049 4.170 4.120 0.002 0.000 0.267 515 V C -0.510 175.793 176.094 0.349 0.000 1.047 515 V CA -0.307 62.249 62.300 0.425 0.000 0.937 515 V CB 0.451 32.541 31.823 0.446 0.000 0.999 515 V HN 0.455 nan 8.190 nan 0.000 0.472 516 Y N 5.799 126.268 120.300 0.282 0.000 2.383 516 Y HA 0.590 5.141 4.550 0.002 0.000 0.344 516 Y C -0.189 175.798 175.900 0.144 0.000 0.986 516 Y CA -0.153 58.078 58.100 0.219 0.000 1.175 516 Y CB 1.463 40.097 38.460 0.291 0.000 1.152 516 Y HN 0.448 nan 8.280 nan 0.000 0.511 517 V N 8.131 127.777 119.914 -0.448 0.000 2.823 517 V HA 0.386 4.507 4.120 0.002 0.000 0.312 517 V C -1.443 174.507 176.094 -0.240 0.000 1.072 517 V CA -0.309 61.855 62.300 -0.227 0.000 0.937 517 V CB 1.832 33.581 31.823 -0.125 0.000 1.013 517 V HN 0.890 nan 8.190 nan 0.000 0.430 518 Y N 3.948 124.165 120.300 -0.139 0.000 3.224 518 Y HA 0.535 5.086 4.550 0.002 0.000 0.184 518 Y C 1.677 177.620 175.900 0.071 0.000 0.891 518 Y CA 1.299 59.390 58.100 -0.016 0.000 1.736 518 Y CB 0.267 38.680 38.460 -0.079 0.000 1.411 518 Y HN 1.039 nan 8.280 nan 0.000 0.402 519 G N 0.746 109.542 108.800 -0.007 0.000 2.189 519 G HA2 -0.235 3.726 3.960 0.002 0.000 0.267 519 G HA3 -0.235 3.726 3.960 0.002 0.000 0.267 519 G C 0.624 175.261 174.900 -0.438 0.000 0.975 519 G CA 0.462 45.499 45.100 -0.106 0.000 0.644 519 G HN 0.939 nan 8.290 nan 0.000 0.537 520 G N 0.270 108.525 108.800 -0.909 0.000 2.504 520 G HA2 0.685 4.646 3.960 0.002 0.000 0.288 520 G HA3 0.685 4.646 3.960 0.002 0.000 0.288 520 G C -1.597 172.987 174.900 -0.527 0.000 1.182 520 G CA -0.572 43.635 45.100 -1.489 0.000 0.894 520 G HN 0.262 nan 8.290 nan 0.000 0.521 521 P HA 0.039 nan 4.420 nan 0.000 0.270 521 P C -0.009 177.303 177.300 0.020 0.000 1.223 521 P CA 0.277 63.162 63.100 -0.358 0.000 0.785 521 P CB 0.646 31.883 31.700 -0.772 0.000 0.923 522 H N -2.803 116.298 119.070 0.052 0.000 3.882 522 H HA -0.171 4.386 4.556 0.002 0.000 0.165 522 H C 0.272 175.673 175.328 0.122 0.000 0.896 522 H CA 1.459 57.581 56.048 0.124 0.000 1.243 522 H CB -1.830 28.041 29.762 0.182 0.000 0.958 522 H HN 0.724 nan 8.280 nan 0.000 0.400 523 A N 0.768 123.705 122.820 0.197 0.000 2.374 523 A HA 0.663 4.984 4.320 0.002 0.000 0.317 523 A C -0.138 177.450 177.584 0.006 0.000 1.094 523 A CA -0.302 51.773 52.037 0.063 0.000 0.765 523 A CB 2.386 21.305 19.000 -0.136 0.000 1.268 523 A HN 0.203 nan 8.150 nan 0.000 0.438 524 Q N 1.957 121.725 119.800 -0.053 0.000 2.295 524 Q HA 0.457 4.798 4.340 0.002 0.000 0.259 524 Q C -1.258 174.686 176.000 -0.094 0.000 0.966 524 Q CA -0.610 55.171 55.803 -0.036 0.000 0.763 524 Q CB 1.094 29.838 28.738 0.010 0.000 1.283 524 Q HN 0.574 nan 8.270 nan 0.000 0.445 525 L N 3.212 124.363 121.223 -0.119 0.000 2.477 525 L HA 0.196 4.537 4.340 0.002 0.000 0.220 525 L C 0.147 177.000 176.870 -0.029 0.000 1.106 525 L CA 0.645 55.419 54.840 -0.111 0.000 0.851 525 L CB 0.897 42.888 42.059 -0.114 0.000 0.994 525 L HN 0.431 nan 8.230 nan 0.000 0.462 526 V N 0.418 120.325 119.914 -0.013 0.000 2.294 526 V HA 0.515 4.636 4.120 0.002 0.000 0.272 526 V C 0.143 176.219 176.094 -0.031 0.000 1.027 526 V CA -0.280 62.013 62.300 -0.011 0.000 0.823 526 V CB 0.565 32.399 31.823 0.017 0.000 1.030 526 V HN 0.397 nan 8.190 nan 0.000 0.457 527 T N 0.686 115.217 114.554 -0.038 0.000 2.865 527 T HA 0.482 4.833 4.350 0.002 0.000 0.294 527 T C -0.354 174.316 174.700 -0.050 0.000 1.119 527 T CA -0.977 61.095 62.100 -0.045 0.000 1.007 527 T CB 2.065 70.923 68.868 -0.017 0.000 1.225 527 T HN 0.371 nan 8.240 nan 0.000 0.515 528 K N 1.415 121.788 120.400 -0.044 0.000 2.278 528 K HA 0.294 4.615 4.320 0.002 0.000 0.237 528 K C -0.010 176.559 176.600 -0.053 0.000 1.229 528 K CA -0.191 56.072 56.287 -0.040 0.000 1.155 528 K CB -0.482 32.010 32.500 -0.013 0.000 1.590 528 K HN 0.693 nan 8.250 nan 0.000 0.290 529 T N 0.770 115.293 114.554 -0.052 0.000 2.870 529 T HA 0.251 4.602 4.350 0.002 0.000 0.277 529 T C -1.482 173.221 174.700 0.004 0.000 1.000 529 T CA -0.889 61.184 62.100 -0.046 0.000 0.982 529 T CB 0.521 69.371 68.868 -0.030 0.000 1.249 529 T HN 0.555 nan 8.240 nan 0.000 0.589 530 W N 2.616 123.820 121.300 -0.160 0.000 2.361 530 W HA 0.457 5.118 4.660 0.002 0.000 0.309 530 W C 0.466 176.929 176.519 -0.092 0.000 1.122 530 W CA 0.304 57.568 57.345 -0.136 0.000 1.208 530 W CB 0.106 29.471 29.460 -0.159 0.000 1.246 530 W HN 1.323 nan 8.180 nan 0.000 0.490 531 R N 2.020 122.006 120.500 -0.856 0.000 3.952 531 R HA -0.294 4.047 4.340 0.002 0.000 0.406 531 R C 0.208 176.335 176.300 -0.289 0.000 0.241 531 R CA 1.312 57.020 56.100 -0.653 0.000 1.300 531 R CB -2.201 27.735 30.300 -0.606 0.000 1.045 531 R HN 0.941 nan 8.270 nan 0.000 0.542 532 S N -0.630 114.959 115.700 -0.185 0.000 2.603 532 S HA 0.514 4.985 4.470 0.002 0.000 0.268 532 S C 1.159 175.735 174.600 -0.039 0.000 1.317 532 S CA 0.822 58.967 58.200 -0.091 0.000 1.012 532 S CB 1.368 64.536 63.200 -0.054 0.000 0.926 532 S HN 1.860 nan 8.310 nan 0.000 0.539 533 S N 1.439 117.135 115.700 -0.006 0.000 2.666 533 S HA 0.170 4.641 4.470 0.002 0.000 0.239 533 S C 0.172 174.851 174.600 0.132 0.000 1.031 533 S CA 0.150 58.376 58.200 0.044 0.000 1.015 533 S CB -0.050 63.174 63.200 0.039 0.000 0.981 533 S HN 1.033 nan 8.310 nan 0.000 0.547 534 V N -1.193 118.766 119.914 0.075 0.000 2.759 534 V HA 0.722 4.843 4.120 0.002 0.000 0.342 534 V C 0.928 177.082 176.094 0.099 0.000 1.228 534 V CA -0.029 62.316 62.300 0.075 0.000 1.302 534 V CB -0.545 31.119 31.823 -0.265 0.000 1.496 534 V HN 0.410 nan 8.190 nan 0.000 0.628 535 G N 0.387 109.282 108.800 0.158 0.000 2.168 535 G HA2 -0.016 3.945 3.960 0.002 0.000 0.257 535 G HA3 -0.016 3.945 3.960 0.002 0.000 0.257 535 G C 1.407 176.530 174.900 0.371 0.000 0.997 535 G CA 0.623 45.932 45.100 0.349 0.000 0.708 535 G HN 2.351 nan 8.290 nan 0.000 0.520 536 G N -1.842 107.060 108.800 0.170 0.000 2.168 536 G HA2 -0.372 3.589 3.960 0.002 0.000 0.263 536 G HA3 -0.372 3.589 3.960 0.002 0.000 0.263 536 G C 1.102 176.053 174.900 0.086 0.000 0.977 536 G CA 1.212 46.361 45.100 0.081 0.000 0.659 536 G HN 1.549 nan 8.290 nan 0.000 0.533 537 W N 1.988 123.229 121.300 -0.099 0.000 2.363 537 W HA -0.060 4.601 4.660 0.002 0.000 0.296 537 W C 2.256 178.681 176.519 -0.156 0.000 1.212 537 W CA 2.225 59.391 57.345 -0.297 0.000 1.260 537 W CB 0.026 29.202 29.460 -0.473 0.000 1.131 537 W HN 0.451 nan 8.180 nan 0.000 0.530 538 D N 0.242 120.611 120.400 -0.050 0.000 2.117 538 D HA -0.270 4.371 4.640 0.002 0.000 0.197 538 D C 2.057 178.205 176.300 -0.253 0.000 0.987 538 D CA 2.034 55.938 54.000 -0.159 0.000 0.829 538 D CB -1.177 39.613 40.800 -0.017 0.000 0.961 538 D HN 0.337 nan 8.370 nan 0.000 0.460 539 I N -0.328 120.140 120.570 -0.169 0.000 2.252 539 I HA -0.235 3.936 4.170 0.002 0.000 0.245 539 I C 2.679 178.716 176.117 -0.133 0.000 1.102 539 I CA 0.962 62.176 61.300 -0.144 0.000 1.385 539 I CB -0.452 37.482 38.000 -0.110 0.000 1.064 539 I HN -0.011 nan 8.210 nan 0.000 0.414 540 Y N 0.796 120.896 120.300 -0.333 0.000 2.181 540 Y HA -0.364 4.187 4.550 0.002 0.000 0.288 540 Y C 2.751 178.398 175.900 -0.422 0.000 1.146 540 Y CA 1.398 59.296 58.100 -0.337 0.000 1.164 540 Y CB 0.068 38.328 38.460 -0.333 0.000 0.982 540 Y HN 0.090 nan 8.280 nan 0.000 0.515 541 M N 0.645 119.786 119.600 -0.766 0.000 2.117 541 M HA -0.136 4.345 4.480 0.002 0.000 0.262 541 M C 2.278 178.339 176.300 -0.397 0.000 1.065 541 M CA 1.986 56.788 55.300 -0.830 0.000 1.114 541 M CB -0.717 31.150 32.600 -1.221 0.000 1.361 541 M HN 0.295 nan 8.290 nan 0.000 0.408 542 A N -0.711 121.934 122.820 -0.292 0.000 1.978 542 A HA -0.230 4.091 4.320 0.002 0.000 0.220 542 A C 2.034 179.547 177.584 -0.118 0.000 1.170 542 A CA 1.798 53.744 52.037 -0.153 0.000 0.636 542 A CB -0.838 18.068 19.000 -0.156 0.000 0.810 542 A HN 0.714 nan 8.150 nan 0.000 0.448 543 Q N -0.630 119.089 119.800 -0.135 0.000 2.437 543 Q HA -0.058 4.283 4.340 0.002 0.000 0.210 543 Q C 0.968 176.938 176.000 -0.050 0.000 0.972 543 Q CA 1.008 56.761 55.803 -0.084 0.000 0.903 543 Q CB -0.050 28.677 28.738 -0.019 0.000 0.967 543 Q HN 0.596 nan 8.270 nan 0.000 0.486 544 K N -0.835 119.518 120.400 -0.078 0.000 2.397 544 K HA 0.159 4.480 4.320 0.002 0.000 0.202 544 K C 0.511 177.228 176.600 0.195 0.000 1.022 544 K CA 0.411 56.703 56.287 0.008 0.000 1.141 544 K CB 1.031 33.453 32.500 -0.130 0.000 0.857 544 K HN 0.256 nan 8.250 nan 0.000 0.514 545 G N 1.027 109.918 108.800 0.152 0.000 2.141 545 G HA2 -0.258 3.703 3.960 0.002 0.000 0.231 545 G HA3 -0.258 3.703 3.960 0.002 0.000 0.231 545 G C -0.608 174.359 174.900 0.111 0.000 0.984 545 G CA -0.250 44.949 45.100 0.165 0.000 0.660 545 G HN 0.229 nan 8.290 nan 0.000 0.525 546 Y N 0.793 121.087 120.300 -0.009 0.000 2.341 546 Y HA 0.708 5.258 4.550 0.002 0.000 0.338 546 Y C 0.654 176.531 175.900 -0.039 0.000 0.965 546 Y CA -0.683 57.418 58.100 0.001 0.000 1.108 546 Y CB 1.759 40.169 38.460 -0.083 0.000 1.180 546 Y HN 0.465 nan 8.280 nan 0.000 0.458 547 A N 2.755 125.669 122.820 0.157 0.000 2.371 547 A HA 0.648 4.969 4.320 0.002 0.000 0.257 547 A C -0.770 176.916 177.584 0.169 0.000 1.089 547 A CA -0.409 51.705 52.037 0.127 0.000 0.794 547 A CB 0.309 19.472 19.000 0.272 0.000 1.029 547 A HN 0.543 nan 8.150 nan 0.000 0.488 548 V N 2.275 122.282 119.914 0.156 0.000 2.531 548 V HA 0.464 4.585 4.120 0.002 0.000 0.301 548 V C -0.934 175.357 176.094 0.327 0.000 1.034 548 V CA -0.256 62.181 62.300 0.228 0.000 0.865 548 V CB 1.199 33.108 31.823 0.144 0.000 0.995 548 V HN 0.782 nan 8.190 nan 0.000 0.424 549 F N 3.399 123.482 119.950 0.221 0.000 2.495 549 F HA 0.791 5.319 4.527 0.002 0.000 0.327 549 F C 0.056 176.006 175.800 0.251 0.000 1.103 549 F CA 0.082 58.211 58.000 0.216 0.000 0.949 549 F CB 2.123 41.229 39.000 0.177 0.000 1.142 549 F HN 0.457 nan 8.300 nan 0.000 0.457 550 T N 5.612 119.889 114.554 -0.462 0.000 2.921 550 T HA 0.542 4.893 4.350 0.002 0.000 0.297 550 T C -1.672 172.729 174.700 -0.498 0.000 1.013 550 T CA -0.613 61.330 62.100 -0.262 0.000 0.990 550 T CB 1.644 70.541 68.868 0.049 0.000 1.023 550 T HN 0.542 nan 8.240 nan 0.000 0.447 551 V N 2.638 122.401 119.914 -0.253 0.000 2.638 551 V HA 0.437 4.558 4.120 0.002 0.000 0.306 551 V C -1.224 174.893 176.094 0.038 0.000 1.052 551 V CA -0.844 61.396 62.300 -0.100 0.000 0.885 551 V CB 2.001 33.835 31.823 0.019 0.000 0.999 551 V HN 0.854 nan 8.190 nan 0.000 0.424 552 D N 4.990 125.443 120.400 0.088 0.000 2.435 552 D HA 0.243 4.884 4.640 0.002 0.000 0.230 552 D C 0.554 176.978 176.300 0.207 0.000 1.215 552 D CA 0.301 54.385 54.000 0.141 0.000 0.947 552 D CB 0.893 41.791 40.800 0.163 0.000 1.048 552 D HN 0.751 nan 8.370 nan 0.000 0.512 553 S N 2.080 117.854 115.700 0.124 0.000 2.608 553 S HA 0.286 4.757 4.470 0.002 0.000 0.261 553 S C 0.705 175.271 174.600 -0.057 0.000 1.314 553 S CA -0.844 57.386 58.200 0.050 0.000 0.992 553 S CB 1.491 64.694 63.200 0.005 0.000 0.935 553 S HN 0.301 nan 8.310 nan 0.000 0.564 554 R N 0.248 120.525 120.500 -0.371 0.000 2.585 554 R HA 0.373 4.714 4.340 0.002 0.000 0.275 554 R C 1.474 177.511 176.300 -0.439 0.000 1.018 554 R CA 1.153 56.712 56.100 -0.901 0.000 1.072 554 R CB -0.152 29.669 30.300 -0.798 0.000 0.953 554 R HN 1.093 nan 8.270 nan 0.000 0.419 555 G N 0.956 109.535 108.800 -0.369 0.000 2.352 555 G HA2 -0.295 3.666 3.960 0.002 0.000 0.204 555 G HA3 -0.295 3.666 3.960 0.002 0.000 0.204 555 G C 0.147 175.006 174.900 -0.068 0.000 1.004 555 G CA 0.002 44.981 45.100 -0.200 0.000 0.648 555 G HN 0.715 nan 8.290 nan 0.000 0.491 556 S N 0.831 116.600 115.700 0.116 0.000 2.606 556 S HA 0.766 5.237 4.470 0.002 0.000 0.257 556 S C 0.753 175.471 174.600 0.198 0.000 1.327 556 S CA 0.653 58.953 58.200 0.168 0.000 0.984 556 S CB 1.596 64.929 63.200 0.222 0.000 0.941 556 S HN 1.919 nan 8.310 nan 0.000 0.576 557 A N 0.465 123.338 122.820 0.090 0.000 2.242 557 A HA 0.611 4.932 4.320 0.002 0.000 0.304 557 A C 0.643 178.223 177.584 -0.005 0.000 1.100 557 A CA -0.672 51.391 52.037 0.043 0.000 0.860 557 A CB -0.411 18.627 19.000 0.063 0.000 1.168 557 A HN 1.052 nan 8.150 nan 0.000 0.503 558 N N -0.837 117.869 118.700 0.010 0.000 2.714 558 N HA -0.133 4.608 4.740 0.002 0.000 0.250 558 N C 0.018 175.519 175.510 -0.015 0.000 1.117 558 N CA 0.994 54.063 53.050 0.030 0.000 0.719 558 N CB -0.507 38.017 38.487 0.062 0.000 1.081 558 N HN 0.629 nan 8.380 nan 0.000 0.557 559 R N 0.065 120.478 120.500 -0.146 0.000 2.572 559 R HA 0.345 4.686 4.340 0.002 0.000 0.370 559 R C 1.125 177.247 176.300 -0.297 0.000 1.005 559 R CA 0.597 56.537 56.100 -0.268 0.000 1.146 559 R CB 0.537 30.178 30.300 -1.099 0.000 1.390 559 R HN 0.401 nan 8.270 nan 0.000 0.553 560 G N -0.041 108.517 108.800 -0.403 0.000 2.699 560 G HA2 -0.188 3.773 3.960 0.002 0.000 0.686 560 G HA3 -0.188 3.773 3.960 0.002 0.000 0.686 560 G C 0.619 175.196 174.900 -0.537 0.000 1.301 560 G CA -0.348 44.153 45.100 -0.998 0.000 0.816 560 G HN 0.133 nan 8.290 nan 0.000 0.595 561 A N 0.406 122.889 122.820 -0.562 0.000 1.902 561 A HA 0.314 4.635 4.320 0.002 0.000 0.217 561 A C 2.978 180.421 177.584 -0.236 0.000 1.181 561 A CA 3.411 55.259 52.037 -0.315 0.000 0.623 561 A CB -0.932 17.892 19.000 -0.294 0.000 0.818 561 A HN 2.536 nan 8.150 nan 0.000 0.443 562 A N -1.076 121.593 122.820 -0.253 0.000 1.883 562 A HA -0.128 4.193 4.320 0.002 0.000 0.217 562 A C 2.078 179.623 177.584 -0.066 0.000 1.186 562 A CA 1.680 53.639 52.037 -0.129 0.000 0.624 562 A CB -0.826 18.128 19.000 -0.076 0.000 0.822 562 A HN 0.709 nan 8.150 nan 0.000 0.444 563 F N 0.526 120.364 119.950 -0.187 0.000 2.161 563 F HA -0.187 4.341 4.527 0.002 0.000 0.300 563 F C 2.249 177.977 175.800 -0.119 0.000 1.089 563 F CA 2.276 60.205 58.000 -0.119 0.000 1.282 563 F CB 0.017 38.956 39.000 -0.100 0.000 1.010 563 F HN 0.473 nan 8.300 nan 0.000 0.485 564 E N -0.361 119.872 120.200 0.054 0.000 2.057 564 E HA -0.169 4.182 4.350 0.002 0.000 0.190 564 E C 1.942 178.490 176.600 -0.087 0.000 0.969 564 E CA 0.661 57.051 56.400 -0.016 0.000 0.812 564 E CB -0.245 29.471 29.700 0.026 0.000 0.777 564 E HN 0.524 nan 8.360 nan 0.000 0.455 565 Q N 0.567 120.286 119.800 -0.135 0.000 2.541 565 Q HA -0.063 4.278 4.340 0.002 0.000 0.215 565 Q C 2.020 177.843 176.000 -0.295 0.000 0.977 565 Q CA 0.377 56.032 55.803 -0.246 0.000 0.934 565 Q CB 0.156 28.582 28.738 -0.518 0.000 0.988 565 Q HN 0.204 nan 8.270 nan 0.000 0.521 566 V N 1.544 121.331 119.914 -0.212 0.000 2.720 566 V HA -0.183 3.938 4.120 0.002 0.000 0.256 566 V C 1.832 177.848 176.094 -0.129 0.000 1.082 566 V CA 1.379 63.576 62.300 -0.171 0.000 1.101 566 V CB -0.365 31.356 31.823 -0.171 0.000 0.693 566 V HN 0.534 nan 8.190 nan 0.000 0.479 567 I N -2.448 118.046 120.570 -0.125 0.000 3.251 567 I HA 0.058 4.229 4.170 0.002 0.000 0.277 567 I C 1.408 177.485 176.117 -0.067 0.000 1.268 567 I CA 0.215 61.445 61.300 -0.118 0.000 1.449 567 I CB -0.867 37.032 38.000 -0.169 0.000 1.083 567 I HN 0.295 nan 8.210 nan 0.000 0.464 568 H N 3.950 122.963 119.070 -0.095 0.000 3.173 568 H HA -0.055 4.502 4.556 0.002 0.000 0.311 568 H C 0.435 175.797 175.328 0.057 0.000 0.972 568 H CA 0.917 56.974 56.048 0.015 0.000 1.384 568 H CB 0.375 30.142 29.762 0.009 0.000 1.349 568 H HN 0.394 nan 8.280 nan 0.000 0.582 569 R N 2.212 122.541 120.500 -0.285 0.000 4.016 569 R HA -0.210 4.131 4.340 0.002 0.000 0.385 569 R C -0.010 176.384 176.300 0.157 0.000 1.158 569 R CA 1.662 57.744 56.100 -0.029 0.000 1.117 569 R CB -0.799 29.393 30.300 -0.181 0.000 1.635 569 R HN 0.733 nan 8.270 nan 0.000 0.560 570 R N 0.521 120.980 120.500 -0.068 0.000 2.648 570 R HA 0.255 4.596 4.340 0.002 0.000 0.341 570 R C -0.384 175.745 176.300 -0.285 0.000 1.154 570 R CA -0.493 55.575 56.100 -0.052 0.000 1.228 570 R CB 0.623 30.917 30.300 -0.011 0.000 1.311 570 R HN -0.004 nan 8.270 nan 0.000 0.659 571 L N 0.572 121.292 121.223 -0.838 0.000 2.615 571 L HA -0.055 4.286 4.340 0.002 0.000 0.284 571 L C 1.450 178.199 176.870 -0.200 0.000 1.237 571 L CA 1.450 55.831 54.840 -0.765 0.000 0.905 571 L CB 0.115 41.177 42.059 -1.662 0.000 1.149 571 L HN 0.781 nan 8.230 nan 0.000 0.499 572 G N 1.505 110.324 108.800 0.031 0.000 2.336 572 G HA2 -0.314 3.647 3.960 0.002 0.000 0.233 572 G HA3 -0.314 3.647 3.960 0.002 0.000 0.233 572 G C 0.863 175.758 174.900 -0.008 0.000 1.053 572 G CA 0.471 45.620 45.100 0.082 0.000 0.625 572 G HN 0.652 nan 8.290 nan 0.000 0.511 573 Q N -0.196 119.597 119.800 -0.010 0.000 1.967 573 Q HA -0.048 4.293 4.340 0.002 0.000 0.202 573 Q C 2.756 178.750 176.000 -0.010 0.000 0.985 573 Q CA 2.309 58.110 55.803 -0.003 0.000 0.839 573 Q CB -0.441 28.298 28.738 0.003 0.000 0.906 573 Q HN 0.544 nan 8.270 nan 0.000 0.423 574 T N 0.943 115.474 114.554 -0.037 0.000 2.821 574 T HA -0.124 4.227 4.350 0.002 0.000 0.267 574 T C 1.514 176.182 174.700 -0.053 0.000 1.046 574 T CA 1.449 63.517 62.100 -0.053 0.000 1.139 574 T CB -0.164 68.647 68.868 -0.095 0.000 0.871 574 T HN 0.251 nan 8.240 nan 0.000 0.454 575 E N 1.335 121.506 120.200 -0.049 0.000 2.058 575 E HA -0.072 4.279 4.350 0.002 0.000 0.194 575 E C 2.167 178.761 176.600 -0.010 0.000 0.997 575 E CA 1.237 57.617 56.400 -0.032 0.000 0.801 575 E CB -0.348 29.361 29.700 0.015 0.000 0.746 575 E HN 0.447 nan 8.360 nan 0.000 0.450 576 M N 0.043 119.641 119.600 -0.004 0.000 2.159 576 M HA -0.114 4.367 4.480 0.002 0.000 0.263 576 M C 2.397 178.737 176.300 0.067 0.000 1.063 576 M CA 1.424 56.745 55.300 0.035 0.000 1.110 576 M CB -0.333 32.303 32.600 0.060 0.000 1.374 576 M HN 0.204 nan 8.290 nan 0.000 0.411 577 A N 0.514 123.365 122.820 0.052 0.000 1.908 577 A HA -0.197 4.124 4.320 0.002 0.000 0.218 577 A C 1.678 179.275 177.584 0.022 0.000 1.181 577 A CA 2.114 54.176 52.037 0.042 0.000 0.627 577 A CB -0.703 18.312 19.000 0.025 0.000 0.818 577 A HN 0.381 nan 8.150 nan 0.000 0.445 578 D N -0.656 119.750 120.400 0.010 0.000 2.144 578 D HA -0.096 4.545 4.640 0.002 0.000 0.200 578 D C 2.148 178.486 176.300 0.064 0.000 0.978 578 D CA 0.932 54.943 54.000 0.019 0.000 0.833 578 D CB -0.249 40.542 40.800 -0.015 0.000 0.961 578 D HN 0.351 nan 8.370 nan 0.000 0.470 579 Q N -0.356 119.487 119.800 0.073 0.000 2.167 579 Q HA -0.026 4.315 4.340 0.002 0.000 0.202 579 Q C 1.963 178.047 176.000 0.139 0.000 0.970 579 Q CA 0.694 56.576 55.803 0.131 0.000 0.855 579 Q CB -0.150 28.651 28.738 0.106 0.000 0.911 579 Q HN 0.331 nan 8.270 nan 0.000 0.438 580 M N -0.758 118.879 119.600 0.061 0.000 2.394 580 M HA -0.093 4.388 4.480 0.002 0.000 0.264 580 M C 2.169 178.462 176.300 -0.011 0.000 1.073 580 M CA 0.562 55.850 55.300 -0.021 0.000 1.111 580 M CB -1.136 31.373 32.600 -0.152 0.000 1.401 580 M HN 0.205 nan 8.290 nan 0.000 0.448 581 C N 0.056 119.374 119.300 0.030 0.000 2.450 581 C HA 0.001 4.462 4.460 0.002 0.000 0.279 581 C C 2.843 177.875 174.990 0.069 0.000 1.335 581 C CA 0.925 59.966 59.018 0.039 0.000 1.749 581 C CB -1.644 26.125 27.740 0.049 0.000 1.963 581 C HN 0.679 nan 8.230 nan 0.000 0.501 582 G N 0.213 109.087 108.800 0.124 0.000 2.408 582 G HA2 -0.119 3.842 3.960 0.002 0.000 0.217 582 G HA3 -0.119 3.842 3.960 0.002 0.000 0.217 582 G C 1.663 176.498 174.900 -0.109 0.000 1.150 582 G CA 1.162 46.362 45.100 0.167 0.000 0.776 582 G HN 0.388 nan 8.290 nan 0.000 0.542 583 V N 1.405 121.282 119.914 -0.062 0.000 2.358 583 V HA -0.141 3.980 4.120 0.002 0.000 0.246 583 V C 2.529 178.503 176.094 -0.201 0.000 1.047 583 V CA 2.030 64.227 62.300 -0.172 0.000 1.035 583 V CB -0.349 31.374 31.823 -0.167 0.000 0.658 583 V HN 0.280 nan 8.190 nan 0.000 0.452 584 D N -0.347 119.980 120.400 -0.122 0.000 2.149 584 D HA -0.196 4.445 4.640 0.002 0.000 0.198 584 D C 1.902 178.126 176.300 -0.127 0.000 0.990 584 D CA 1.392 55.325 54.000 -0.111 0.000 0.839 584 D CB -0.270 40.501 40.800 -0.049 0.000 0.948 584 D HN 0.490 nan 8.370 nan 0.000 0.460 585 F N 1.527 121.333 119.950 -0.240 0.000 2.102 585 F HA -0.113 4.415 4.527 0.001 0.000 0.298 585 F C 2.154 177.721 175.800 -0.387 0.000 1.105 585 F CA 1.059 58.893 58.000 -0.277 0.000 1.239 585 F CB -0.411 38.403 39.000 -0.311 0.000 0.991 585 F HN -0.138 nan 8.300 nan 0.000 0.474 586 L N 0.282 121.131 121.223 -0.624 0.000 2.046 586 L HA -0.237 4.104 4.340 0.002 0.000 0.208 586 L C 2.382 178.854 176.870 -0.665 0.000 1.077 586 L CA 1.636 56.016 54.840 -0.767 0.000 0.747 586 L CB -0.728 40.965 42.059 -0.610 0.000 0.896 586 L HN 0.093 nan 8.230 nan 0.000 0.432 587 K N -0.589 119.532 120.400 -0.465 0.000 2.362 587 K HA -0.054 4.267 4.320 0.002 0.000 0.200 587 K C 1.993 178.378 176.600 -0.359 0.000 1.046 587 K CA 0.846 56.912 56.287 -0.369 0.000 0.952 587 K CB 0.015 32.358 32.500 -0.262 0.000 0.753 587 K HN 0.149 nan 8.250 nan 0.000 0.466 588 S N 0.772 116.225 115.700 -0.411 0.000 2.562 588 S HA 0.025 4.496 4.470 0.002 0.000 0.221 588 S C 0.323 174.685 174.600 -0.396 0.000 0.975 588 S CA 0.415 58.414 58.200 -0.336 0.000 0.918 588 S CB 0.145 63.178 63.200 -0.279 0.000 0.772 588 S HN 0.218 nan 8.310 nan 0.000 0.531 589 Q N 1.338 120.781 119.800 -0.595 0.000 2.279 589 Q HA 0.235 4.576 4.340 0.002 0.000 0.256 589 Q C 1.109 176.786 176.000 -0.537 0.000 0.937 589 Q CA -0.118 55.294 55.803 -0.652 0.000 0.933 589 Q CB 1.398 29.431 28.738 -1.175 0.000 1.189 589 Q HN 0.384 nan 8.270 nan 0.000 0.417 590 S N 2.304 117.852 115.700 -0.253 0.000 2.423 590 S HA -0.079 4.392 4.470 0.002 0.000 0.231 590 S C 1.214 175.798 174.600 -0.026 0.000 1.014 590 S CA 0.519 58.659 58.200 -0.101 0.000 0.965 590 S CB -0.241 62.977 63.200 0.030 0.000 0.785 590 S HN 0.830 nan 8.310 nan 0.000 0.495 591 W N 1.333 122.680 121.300 0.078 0.000 3.047 591 W HA 0.451 5.112 4.660 0.002 0.000 0.250 591 W C -0.421 176.204 176.519 0.176 0.000 1.314 591 W CA -0.600 56.864 57.345 0.199 0.000 1.540 591 W CB -0.751 28.981 29.460 0.454 0.000 1.127 591 W HN -0.012 nan 8.180 nan 0.000 0.679 592 V N 3.658 123.276 119.914 -0.494 0.000 2.461 592 V HA 0.004 4.125 4.120 0.002 0.000 0.275 592 V C 0.093 176.063 176.094 -0.207 0.000 1.047 592 V CA -0.088 61.939 62.300 -0.454 0.000 0.955 592 V CB 1.134 32.490 31.823 -0.778 0.000 0.988 592 V HN -0.104 nan 8.190 nan 0.000 0.471 593 D N 4.632 124.977 120.400 -0.093 0.000 2.374 593 D HA 0.262 4.903 4.640 0.002 0.000 0.240 593 D C 0.992 177.227 176.300 -0.108 0.000 1.229 593 D CA 0.068 54.019 54.000 -0.082 0.000 0.895 593 D CB 1.663 42.434 40.800 -0.048 0.000 1.046 593 D HN 0.615 nan 8.370 nan 0.000 0.498 594 A N 3.988 126.726 122.820 -0.136 0.000 2.131 594 A HA -0.157 4.164 4.320 0.002 0.000 0.220 594 A C 1.444 178.962 177.584 -0.110 0.000 1.158 594 A CA 1.003 52.951 52.037 -0.148 0.000 0.665 594 A CB 0.075 18.983 19.000 -0.154 0.000 0.795 594 A HN 0.513 nan 8.150 nan 0.000 0.460 595 D N -0.857 119.499 120.400 -0.074 0.000 2.350 595 D HA 0.053 4.694 4.640 0.002 0.000 0.213 595 D C 0.565 176.858 176.300 -0.011 0.000 1.031 595 D CA 0.383 54.356 54.000 -0.044 0.000 0.861 595 D CB 0.092 40.873 40.800 -0.032 0.000 0.926 595 D HN 0.423 nan 8.370 nan 0.000 0.520 596 R N 0.700 121.196 120.500 -0.007 0.000 3.026 596 R HA 0.396 4.737 4.340 0.002 0.000 0.317 596 R C -0.219 176.130 176.300 0.082 0.000 1.278 596 R CA -0.190 55.942 56.100 0.054 0.000 1.407 596 R CB 0.907 31.234 30.300 0.045 0.000 1.368 596 R HN -0.024 nan 8.270 nan 0.000 0.612 597 I N 0.551 121.150 120.570 0.049 0.000 2.336 597 I HA 0.393 4.564 4.170 0.002 0.000 0.292 597 I C 0.779 177.030 176.117 0.224 0.000 0.991 597 I CA -0.425 60.911 61.300 0.060 0.000 1.227 597 I CB 1.782 39.697 38.000 -0.141 0.000 1.366 597 I HN 0.294 nan 8.210 nan 0.000 0.466 598 G N 4.548 113.558 108.800 0.349 0.000 3.013 598 G HA2 0.714 4.675 3.960 0.002 0.000 0.278 598 G HA3 0.714 4.675 3.960 0.002 0.000 0.278 598 G C -1.561 173.679 174.900 0.568 0.000 1.353 598 G CA -0.571 44.846 45.100 0.527 0.000 1.043 598 G HN 0.422 nan 8.290 nan 0.000 0.523 599 V N -0.651 119.595 119.914 0.555 0.000 2.969 599 V HA 0.727 4.848 4.120 0.002 0.000 0.304 599 V C -1.953 174.391 176.094 0.416 0.000 1.192 599 V CA -0.717 61.788 62.300 0.340 0.000 0.962 599 V CB 2.076 33.877 31.823 -0.037 0.000 1.045 599 V HN 1.215 nan 8.190 nan 0.000 0.428 600 H N 3.348 122.495 119.070 0.128 0.000 2.894 600 H HA 0.905 5.462 4.556 0.002 0.000 0.367 600 H C -0.421 174.731 175.328 -0.294 0.000 1.144 600 H CA 0.231 56.290 56.048 0.019 0.000 1.180 600 H CB 2.284 32.064 29.762 0.031 0.000 1.758 600 H HN 1.191 nan 8.280 nan 0.000 0.541 601 G N 1.937 110.261 108.800 -0.793 0.000 2.523 601 G HA2 0.312 4.273 3.960 0.002 0.000 0.291 601 G HA3 0.312 4.273 3.960 0.002 0.000 0.291 601 G C -2.215 172.472 174.900 -0.355 0.000 1.450 601 G CA -0.858 43.808 45.100 -0.722 0.000 0.790 601 G HN 0.445 nan 8.290 nan 0.000 0.496 602 W N 0.652 121.827 121.300 -0.209 0.000 2.844 602 W HA 0.565 5.226 4.660 0.002 0.000 0.340 602 W C 0.822 177.424 176.519 0.138 0.000 1.093 602 W CA 0.548 57.853 57.345 -0.067 0.000 1.212 602 W CB 2.089 31.510 29.460 -0.065 0.000 1.422 602 W HN 1.147 nan 8.180 nan 0.000 0.515 603 S N 1.944 117.686 115.700 0.069 0.000 4.140 603 S HA -0.425 4.046 4.470 0.002 0.000 0.618 603 S C 1.093 175.746 174.600 0.089 0.000 1.896 603 S CA 1.920 60.286 58.200 0.277 0.000 4.240 603 S CB -1.839 61.819 63.200 0.763 0.000 0.208 603 S HN 0.732 nan 8.310 nan 0.000 0.487 604 Y N 2.211 122.510 120.300 -0.002 0.000 2.274 604 Y HA 0.043 4.594 4.550 0.002 0.000 0.290 604 Y C 2.313 178.107 175.900 -0.176 0.000 1.145 604 Y CA 2.260 60.252 58.100 -0.180 0.000 1.203 604 Y CB -0.840 37.294 38.460 -0.544 0.000 0.984 604 Y HN 0.497 nan 8.280 nan 0.000 0.533 605 G N -1.193 107.600 108.800 -0.011 0.000 2.484 605 G HA2 -0.157 3.804 3.960 0.002 0.000 0.218 605 G HA3 -0.157 3.804 3.960 0.002 0.000 0.218 605 G C 1.819 176.623 174.900 -0.160 0.000 1.130 605 G CA 0.647 45.714 45.100 -0.055 0.000 0.784 605 G HN 0.545 nan 8.290 nan 0.000 0.543 606 G N 0.501 109.203 108.800 -0.163 0.000 2.408 606 G HA2 -0.091 3.870 3.960 0.002 0.000 0.215 606 G HA3 -0.091 3.870 3.960 0.002 0.000 0.215 606 G C 1.535 176.293 174.900 -0.236 0.000 1.156 606 G CA 0.696 45.636 45.100 -0.268 0.000 0.793 606 G HN 0.414 nan 8.290 nan 0.000 0.535 607 F N 0.924 120.661 119.950 -0.355 0.000 2.102 607 F HA -0.066 4.462 4.527 0.002 0.000 0.298 607 F C 2.610 178.237 175.800 -0.289 0.000 1.105 607 F CA 1.450 59.236 58.000 -0.356 0.000 1.239 607 F CB 0.054 38.790 39.000 -0.440 0.000 0.991 607 F HN -0.019 nan 8.300 nan 0.000 0.474 608 M N 0.400 119.690 119.600 -0.517 0.000 2.099 608 M HA -0.161 4.320 4.480 0.002 0.000 0.262 608 M C 2.209 178.238 176.300 -0.452 0.000 1.067 608 M CA 1.886 56.855 55.300 -0.552 0.000 1.124 608 M CB -1.670 30.768 32.600 -0.270 0.000 1.353 608 M HN 0.157 nan 8.290 nan 0.000 0.410 609 T N 0.769 115.112 114.554 -0.353 0.000 2.635 609 T HA -0.148 4.203 4.350 0.002 0.000 0.267 609 T C 1.807 176.321 174.700 -0.311 0.000 1.040 609 T CA 2.230 64.146 62.100 -0.306 0.000 1.156 609 T CB -0.357 68.385 68.868 -0.210 0.000 0.863 609 T HN 0.421 nan 8.240 nan 0.000 0.430 610 T N 2.026 116.380 114.554 -0.333 0.000 2.737 610 T HA -0.096 4.255 4.350 0.002 0.000 0.265 610 T C 2.053 176.570 174.700 -0.305 0.000 1.038 610 T CA 1.027 62.927 62.100 -0.334 0.000 1.144 610 T CB -0.436 68.150 68.868 -0.469 0.000 0.866 610 T HN 0.249 nan 8.240 nan 0.000 0.434 611 N N 1.178 119.626 118.700 -0.421 0.000 2.104 611 N HA -0.007 4.734 4.740 0.002 0.000 0.190 611 N C 1.780 177.136 175.510 -0.256 0.000 1.024 611 N CA 1.043 53.864 53.050 -0.381 0.000 0.853 611 N CB -0.490 37.587 38.487 -0.683 0.000 1.008 611 N HN 0.358 nan 8.380 nan 0.000 0.424 612 L N -0.100 120.943 121.223 -0.299 0.000 2.093 612 L HA -0.078 4.263 4.340 0.002 0.000 0.208 612 L C 2.417 179.247 176.870 -0.066 0.000 1.085 612 L CA 0.879 55.579 54.840 -0.232 0.000 0.755 612 L CB -0.256 41.417 42.059 -0.643 0.000 0.904 612 L HN 0.220 nan 8.230 nan 0.000 0.435 613 M N -0.874 118.668 119.600 -0.097 0.000 2.254 613 M HA -0.165 4.316 4.480 0.002 0.000 0.265 613 M C 2.131 178.484 176.300 0.089 0.000 1.066 613 M CA 1.490 56.840 55.300 0.083 0.000 1.123 613 M CB -0.111 32.528 32.600 0.065 0.000 1.388 613 M HN 0.270 nan 8.290 nan 0.000 0.425 614 L N -1.210 120.025 121.223 0.020 0.000 2.209 614 L HA -0.072 4.269 4.340 0.002 0.000 0.207 614 L C 2.231 179.090 176.870 -0.019 0.000 1.094 614 L CA 0.956 55.814 54.840 0.030 0.000 0.790 614 L CB -0.692 41.389 42.059 0.036 0.000 0.932 614 L HN 0.241 nan 8.230 nan 0.000 0.447 615 T N -2.402 112.097 114.554 -0.091 0.000 2.937 615 T HA 0.001 4.352 4.350 0.002 0.000 0.260 615 T C 0.748 175.198 174.700 -0.418 0.000 1.051 615 T CA 0.786 62.725 62.100 -0.269 0.000 1.141 615 T CB 0.007 68.653 68.868 -0.370 0.000 0.879 615 T HN 0.249 nan 8.240 nan 0.000 0.459 616 H N 0.196 119.350 119.070 0.140 0.000 2.471 616 H HA 0.395 4.952 4.556 0.002 0.000 0.234 616 H C 1.475 176.930 175.328 0.211 0.000 1.388 616 H CA -0.451 55.707 56.048 0.182 0.000 1.198 616 H CB 0.165 30.095 29.762 0.279 0.000 1.714 616 H HN 0.317 nan 8.280 nan 0.000 0.536 617 G N 0.278 109.196 108.800 0.197 0.000 2.498 617 G HA2 -0.216 3.745 3.960 0.002 0.000 0.219 617 G HA3 -0.216 3.745 3.960 0.002 0.000 0.219 617 G C 1.154 176.135 174.900 0.135 0.000 1.119 617 G CA 0.355 45.558 45.100 0.172 0.000 0.766 617 G HN 0.304 nan 8.290 nan 0.000 0.552 618 D N -0.266 120.199 120.400 0.108 0.000 2.277 618 D HA 0.004 4.645 4.640 0.002 0.000 0.208 618 D C 2.581 178.882 176.300 0.003 0.000 0.962 618 D CA 0.325 54.357 54.000 0.053 0.000 0.865 618 D CB 0.354 41.179 40.800 0.042 0.000 0.939 618 D HN 0.267 nan 8.370 nan 0.000 0.510 619 V N -0.019 119.877 119.914 -0.029 0.000 2.403 619 V HA 0.012 4.133 4.120 0.002 0.000 0.239 619 V C 0.559 176.460 176.094 -0.321 0.000 1.041 619 V CA 0.556 62.701 62.300 -0.259 0.000 1.051 619 V CB -0.205 31.314 31.823 -0.506 0.000 0.704 619 V HN -0.027 nan 8.190 nan 0.000 0.472 620 F N 1.537 121.545 119.950 0.098 0.000 2.404 620 F HA 0.329 4.857 4.527 0.002 0.000 0.359 620 F C 1.421 177.298 175.800 0.129 0.000 1.134 620 F CA -0.362 57.711 58.000 0.122 0.000 1.160 620 F CB 0.581 39.659 39.000 0.131 0.000 1.186 620 F HN -0.093 nan 8.300 nan 0.000 0.526 621 K N 1.836 122.384 120.400 0.246 0.000 2.116 621 K HA 0.123 4.444 4.320 0.002 0.000 0.203 621 K C 0.279 177.018 176.600 0.233 0.000 1.052 621 K CA 0.720 57.127 56.287 0.201 0.000 0.952 621 K CB 0.204 32.799 32.500 0.159 0.000 0.729 621 K HN 0.320 nan 8.250 nan 0.000 0.446 622 V N -0.503 119.606 119.914 0.326 0.000 2.888 622 V HA 0.678 4.798 4.120 0.002 0.000 0.309 622 V C -0.149 176.205 176.094 0.433 0.000 1.114 622 V CA -0.971 61.523 62.300 0.324 0.000 0.940 622 V CB 2.097 34.107 31.823 0.313 0.000 1.021 622 V HN 0.324 nan 8.190 nan 0.000 0.426 623 G N 1.386 110.358 108.800 0.286 0.000 2.704 623 G HA2 0.688 4.649 3.960 0.002 0.000 0.293 623 G HA3 0.688 4.649 3.960 0.002 0.000 0.293 623 G C -2.038 172.891 174.900 0.047 0.000 1.421 623 G CA -0.600 44.658 45.100 0.263 0.000 0.870 623 G HN 0.619 nan 8.290 nan 0.000 0.492 624 V N 0.373 120.347 119.914 0.100 0.000 2.524 624 V HA 0.728 4.849 4.120 0.002 0.000 0.297 624 V C 0.011 176.179 176.094 0.123 0.000 1.035 624 V CA -0.660 61.622 62.300 -0.031 0.000 0.867 624 V CB 1.368 33.093 31.823 -0.163 0.000 1.004 624 V HN 1.304 nan 8.190 nan 0.000 0.426 625 A N 3.585 126.358 122.820 -0.078 0.000 2.291 625 A HA 0.862 5.183 4.320 0.002 0.000 0.311 625 A C 0.276 177.606 177.584 -0.422 0.000 1.224 625 A CA -0.119 51.791 52.037 -0.212 0.000 0.821 625 A CB 1.151 20.005 19.000 -0.244 0.000 1.172 625 A HN 1.038 nan 8.150 nan 0.000 0.494 626 G N 0.684 109.013 108.800 -0.785 0.000 2.389 626 G HA2 0.538 4.499 3.960 0.002 0.000 0.317 626 G HA3 0.538 4.499 3.960 0.002 0.000 0.317 626 G C 0.870 174.679 174.900 -1.818 0.000 1.137 626 G CA 0.023 44.022 45.100 -1.835 0.000 0.870 626 G HN 2.017 nan 8.290 nan 0.000 0.496 627 G N 2.242 110.150 108.800 -1.487 0.000 2.424 627 G HA2 -0.197 3.764 3.960 0.002 0.000 0.290 627 G HA3 -0.197 3.764 3.960 0.002 0.000 0.290 627 G C -1.664 172.891 174.900 -0.576 0.000 0.912 627 G CA 0.141 44.627 45.100 -1.023 0.000 1.142 627 G HN 0.647 nan 8.290 nan 0.000 0.501 628 P HA 0.343 nan 4.420 nan 0.000 0.281 628 P C 0.311 177.410 177.300 -0.335 0.000 1.252 628 P CA -0.225 62.677 63.100 -0.330 0.000 0.778 628 P CB 1.711 33.235 31.700 -0.292 0.000 0.895 629 V N 5.826 125.448 119.914 -0.487 0.000 2.508 629 V HA 0.022 4.143 4.120 0.002 0.000 0.281 629 V C 1.643 177.479 176.094 -0.431 0.000 1.041 629 V CA 0.318 62.096 62.300 -0.870 0.000 1.016 629 V CB 0.483 31.397 31.823 -1.514 0.000 0.984 629 V HN 0.503 nan 8.190 nan 0.000 0.478 630 I N 2.012 122.524 120.570 -0.096 0.000 3.718 630 I HA 0.256 4.426 4.170 0.002 0.000 0.297 630 I C 0.474 176.674 176.117 0.139 0.000 1.220 630 I CA 0.773 62.130 61.300 0.095 0.000 1.381 630 I CB 0.231 38.341 38.000 0.184 0.000 1.238 630 I HN 0.631 nan 8.210 nan 0.000 0.448 631 D N -0.573 119.927 120.400 0.167 0.000 2.473 631 D HA 0.149 4.790 4.640 0.002 0.000 0.253 631 D C 0.251 176.659 176.300 0.180 0.000 1.233 631 D CA -0.561 53.539 54.000 0.166 0.000 0.908 631 D CB 0.749 41.615 40.800 0.110 0.000 1.170 631 D HN -0.051 nan 8.370 nan 0.000 0.558 632 W N 2.544 123.976 121.300 0.221 0.000 2.468 632 W HA 0.036 4.697 4.660 0.002 0.000 0.262 632 W C 1.978 178.780 176.519 0.472 0.000 1.241 632 W CA 0.363 57.869 57.345 0.268 0.000 1.232 632 W CB -0.349 29.170 29.460 0.097 0.000 1.124 632 W HN 0.526 nan 8.180 nan 0.000 0.597 633 N N 0.494 119.551 118.700 0.595 0.000 2.381 633 N HA -0.103 4.638 4.740 0.002 0.000 0.182 633 N C 1.448 177.141 175.510 0.305 0.000 1.025 633 N CA 0.620 53.921 53.050 0.419 0.000 0.888 633 N CB -0.027 38.585 38.487 0.209 0.000 0.965 633 N HN 0.118 nan 8.380 nan 0.000 0.438 634 R N -0.872 119.796 120.500 0.280 0.000 2.427 634 R HA 0.058 4.399 4.340 0.002 0.000 0.262 634 R C -0.679 175.873 176.300 0.419 0.000 0.943 634 R CA -0.216 55.998 56.100 0.190 0.000 1.081 634 R CB 0.230 30.432 30.300 -0.164 0.000 1.166 634 R HN 0.213 nan 8.270 nan 0.000 0.534 635 Y N 2.004 122.530 120.300 0.377 0.000 2.432 635 Y HA 0.090 4.641 4.550 0.002 0.000 0.322 635 Y C 0.373 176.547 175.900 0.458 0.000 1.246 635 Y CA -1.756 56.590 58.100 0.410 0.000 1.268 635 Y CB 0.814 39.420 38.460 0.243 0.000 1.276 635 Y HN 0.093 nan 8.280 nan 0.000 0.499 636 E N 2.231 122.318 120.200 -0.188 0.000 2.436 636 E HA 0.016 4.367 4.350 0.002 0.000 0.262 636 E C 0.503 177.145 176.600 0.070 0.000 1.063 636 E CA -0.064 56.153 56.400 -0.306 0.000 0.944 636 E CB 0.629 29.910 29.700 -0.697 0.000 0.950 636 E HN 0.757 nan 8.360 nan 0.000 0.444 637 I N 1.055 121.635 120.570 0.016 0.000 2.099 637 I HA -0.336 3.835 4.170 0.002 0.000 0.239 637 I C 2.241 178.439 176.117 0.136 0.000 1.066 637 I CA 1.606 62.980 61.300 0.123 0.000 1.324 637 I CB -0.285 37.774 38.000 0.098 0.000 1.037 637 I HN 0.617 nan 8.210 nan 0.000 0.401 638 M N -0.310 119.296 119.600 0.009 0.000 2.084 638 M HA -0.270 4.211 4.480 0.002 0.000 0.259 638 M C 2.397 178.672 176.300 -0.041 0.000 1.072 638 M CA 2.203 57.422 55.300 -0.135 0.000 1.107 638 M CB -1.126 31.283 32.600 -0.317 0.000 1.299 638 M HN 0.192 nan 8.290 nan 0.000 0.413 639 Y N 0.377 120.670 120.300 -0.012 0.000 2.163 639 Y HA -0.062 4.489 4.550 0.002 0.000 0.288 639 Y C 2.299 178.399 175.900 0.333 0.000 1.136 639 Y CA 1.637 59.846 58.100 0.181 0.000 1.147 639 Y CB -0.707 38.008 38.460 0.425 0.000 0.987 639 Y HN 0.200 nan 8.280 nan 0.000 0.509 640 G N 0.011 109.293 108.800 0.803 0.000 2.459 640 G HA2 -0.278 3.683 3.960 0.002 0.000 0.217 640 G HA3 -0.278 3.683 3.960 0.002 0.000 0.217 640 G C 1.375 176.540 174.900 0.442 0.000 1.183 640 G CA 1.166 46.731 45.100 0.774 0.000 0.776 640 G HN 0.538 nan 8.290 nan 0.000 0.552 641 E N -0.164 120.234 120.200 0.329 0.000 2.338 641 E HA -0.043 4.308 4.350 0.002 0.000 0.197 641 E C 2.411 179.079 176.600 0.113 0.000 1.007 641 E CA 0.158 56.715 56.400 0.261 0.000 0.849 641 E CB -0.010 29.836 29.700 0.243 0.000 0.774 641 E HN 0.433 nan 8.360 nan 0.000 0.506 642 R N 0.463 120.883 120.500 -0.133 0.000 2.062 642 R HA -0.160 4.181 4.340 0.002 0.000 0.231 642 R C 1.599 177.538 176.300 -0.602 0.000 1.136 642 R CA 1.536 57.325 56.100 -0.518 0.000 0.948 642 R CB -0.141 29.502 30.300 -1.095 0.000 0.845 642 R HN 0.217 nan 8.270 nan 0.000 0.430 643 Y N -1.989 118.140 120.300 -0.285 0.000 2.475 643 Y HA 0.032 4.583 4.550 0.002 0.000 0.289 643 Y C 1.540 177.430 175.900 -0.017 0.000 1.121 643 Y CA 0.093 58.076 58.100 -0.195 0.000 1.257 643 Y CB 0.225 38.419 38.460 -0.444 0.000 1.026 643 Y HN 0.095 nan 8.280 nan 0.000 0.555 644 F N -0.135 119.802 119.950 -0.022 0.000 2.724 644 F HA 0.222 4.750 4.527 0.002 0.000 0.306 644 F C 0.038 175.874 175.800 0.060 0.000 1.100 644 F CA -0.378 57.543 58.000 -0.131 0.000 1.255 644 F CB 0.022 38.794 39.000 -0.381 0.000 1.072 644 F HN -0.114 nan 8.300 nan 0.000 0.589 645 D N -0.732 119.866 120.400 0.330 0.000 6.122 645 D HA -0.148 4.493 4.640 0.002 0.000 0.318 645 D C -0.104 176.380 176.300 0.306 0.000 2.527 645 D CA 0.944 55.109 54.000 0.275 0.000 1.441 645 D CB -0.472 40.437 40.800 0.181 0.000 1.140 645 D HN 0.260 nan 8.370 nan 0.000 1.272 646 A N 0.536 123.453 122.820 0.162 0.000 2.351 646 A HA 0.514 4.835 4.320 0.002 0.000 0.257 646 A C -1.446 176.003 177.584 -0.226 0.000 1.087 646 A CA -0.440 51.620 52.037 0.038 0.000 0.798 646 A CB 0.372 19.380 19.000 0.013 0.000 1.033 646 A HN 0.346 nan 8.150 nan 0.000 0.488 647 P HA -0.184 nan 4.420 nan 0.000 0.216 647 P C 0.971 177.996 177.300 -0.458 0.000 1.153 647 P CA 1.516 63.989 63.100 -1.045 0.000 0.858 647 P CB 0.126 31.346 31.700 -0.801 0.000 0.789 648 Q N -0.419 119.228 119.800 -0.254 0.000 2.291 648 Q HA -0.131 4.210 4.340 0.002 0.000 0.205 648 Q C 1.676 177.619 176.000 -0.095 0.000 0.970 648 Q CA 1.231 56.949 55.803 -0.141 0.000 0.876 648 Q CB -0.629 28.055 28.738 -0.090 0.000 0.935 648 Q HN 0.470 nan 8.270 nan 0.000 0.455 649 E N -0.399 119.751 120.200 -0.083 0.000 2.447 649 E HA 0.044 4.395 4.350 0.002 0.000 0.195 649 E C 0.085 176.676 176.600 -0.016 0.000 1.028 649 E CA 0.163 56.547 56.400 -0.027 0.000 0.876 649 E CB 0.323 30.031 29.700 0.013 0.000 0.885 649 E HN 0.092 nan 8.360 nan 0.000 0.500 650 N N 0.258 118.929 118.700 -0.047 0.000 2.673 650 N HA 0.138 4.879 4.740 0.002 0.000 0.265 650 N C -2.441 173.061 175.510 -0.014 0.000 1.709 650 N CA -1.755 51.297 53.050 0.003 0.000 0.792 650 N CB 0.804 39.335 38.487 0.073 0.000 1.286 650 N HN -0.218 nan 8.380 nan 0.000 0.506 651 P HA -0.101 nan 4.420 nan 0.000 0.215 651 P C 0.821 178.134 177.300 0.022 0.000 1.153 651 P CA 1.287 64.365 63.100 -0.036 0.000 0.853 651 P CB 0.465 32.146 31.700 -0.032 0.000 0.788 652 E N -0.737 119.482 120.200 0.031 0.000 2.077 652 E HA -0.112 4.239 4.350 0.002 0.000 0.193 652 E C 2.308 178.956 176.600 0.080 0.000 0.989 652 E CA 1.304 57.735 56.400 0.052 0.000 0.800 652 E CB -0.888 28.841 29.700 0.048 0.000 0.746 652 E HN 0.251 nan 8.360 nan 0.000 0.452 653 G N 0.227 109.076 108.800 0.083 0.000 2.404 653 G HA2 -0.255 3.706 3.960 0.002 0.000 0.215 653 G HA3 -0.255 3.706 3.960 0.002 0.000 0.215 653 G C 1.209 176.123 174.900 0.023 0.000 1.174 653 G CA 0.627 45.819 45.100 0.153 0.000 0.780 653 G HN 0.219 nan 8.290 nan 0.000 0.537 654 Y N 1.206 121.226 120.300 -0.467 0.000 2.181 654 Y HA -0.114 4.437 4.550 0.002 0.000 0.288 654 Y C 2.795 178.682 175.900 -0.022 0.000 1.146 654 Y CA 1.422 59.256 58.100 -0.443 0.000 1.164 654 Y CB 0.031 38.245 38.460 -0.409 0.000 0.982 654 Y HN 0.135 nan 8.280 nan 0.000 0.515 655 D N -0.397 120.092 120.400 0.150 0.000 2.144 655 D HA -0.180 4.461 4.640 0.002 0.000 0.199 655 D C 2.197 178.587 176.300 0.150 0.000 0.984 655 D CA 1.374 55.454 54.000 0.133 0.000 0.834 655 D CB -0.481 40.371 40.800 0.086 0.000 0.955 655 D HN 0.361 nan 8.370 nan 0.000 0.465 656 A N 0.502 123.415 122.820 0.156 0.000 1.969 656 A HA 0.069 4.389 4.320 0.002 0.000 0.218 656 A C 2.126 179.839 177.584 0.215 0.000 1.169 656 A CA 1.752 53.883 52.037 0.157 0.000 0.635 656 A CB -0.275 18.809 19.000 0.141 0.000 0.810 656 A HN 0.224 nan 8.150 nan 0.000 0.445 657 A N -0.676 122.334 122.820 0.316 0.000 2.238 657 A HA 0.135 4.456 4.320 0.002 0.000 0.210 657 A C 0.927 178.798 177.584 0.478 0.000 1.179 657 A CA -0.008 52.303 52.037 0.456 0.000 0.827 657 A CB -0.346 18.971 19.000 0.527 0.000 0.856 657 A HN 0.373 nan 8.150 nan 0.000 0.488 658 N N 1.634 120.536 118.700 0.337 0.000 2.421 658 N HA 0.140 4.881 4.740 0.002 0.000 0.260 658 N C 0.709 176.366 175.510 0.244 0.000 1.173 658 N CA -0.039 53.183 53.050 0.285 0.000 0.960 658 N CB 0.098 38.715 38.487 0.216 0.000 1.273 658 N HN 0.399 nan 8.380 nan 0.000 0.497 659 L N 2.944 124.328 121.223 0.268 0.000 2.265 659 L HA -0.132 4.209 4.340 0.002 0.000 0.215 659 L C 1.856 178.918 176.870 0.319 0.000 1.117 659 L CA 0.636 55.626 54.840 0.250 0.000 0.782 659 L CB -0.191 41.963 42.059 0.157 0.000 0.914 659 L HN 0.524 nan 8.230 nan 0.000 0.441 660 L N -0.123 121.259 121.223 0.264 0.000 2.191 660 L HA -0.188 4.153 4.340 0.002 0.000 0.212 660 L C 2.357 179.280 176.870 0.088 0.000 1.103 660 L CA 1.263 56.211 54.840 0.181 0.000 0.769 660 L CB -0.436 41.691 42.059 0.113 0.000 0.908 660 L HN 0.254 nan 8.230 nan 0.000 0.438 661 K N 0.032 120.494 120.400 0.103 0.000 2.432 661 K HA -0.004 4.317 4.320 0.002 0.000 0.196 661 K C 1.189 177.822 176.600 0.055 0.000 1.038 661 K CA 0.600 56.925 56.287 0.064 0.000 0.986 661 K CB 0.173 32.717 32.500 0.074 0.000 0.782 661 K HN 0.275 nan 8.250 nan 0.000 0.485 662 R N -0.509 120.044 120.500 0.088 0.000 2.629 662 R HA 0.246 4.587 4.340 0.002 0.000 0.386 662 R C 1.133 177.482 176.300 0.082 0.000 1.071 662 R CA -0.080 56.064 56.100 0.074 0.000 1.104 662 R CB 0.846 31.194 30.300 0.079 0.000 1.370 662 R HN 0.030 nan 8.270 nan 0.000 0.574 663 A N 0.700 123.538 122.820 0.031 0.000 2.024 663 A HA -0.089 4.232 4.320 0.002 0.000 0.220 663 A C 2.082 179.609 177.584 -0.095 0.000 1.164 663 A CA 1.745 53.717 52.037 -0.107 0.000 0.643 663 A CB -0.532 18.204 19.000 -0.440 0.000 0.806 663 A HN 0.436 nan 8.150 nan 0.000 0.451 664 G N -0.870 107.893 108.800 -0.063 0.000 2.559 664 G HA2 -0.079 3.882 3.960 0.002 0.000 0.216 664 G HA3 -0.079 3.882 3.960 0.002 0.000 0.216 664 G C 0.684 175.582 174.900 -0.004 0.000 1.126 664 G CA 0.882 45.953 45.100 -0.048 0.000 0.778 664 G HN 0.459 nan 8.290 nan 0.000 0.543 665 D N -0.344 120.070 120.400 0.023 0.000 2.339 665 D HA 0.066 4.707 4.640 0.002 0.000 0.217 665 D C 0.609 176.949 176.300 0.067 0.000 1.050 665 D CA -0.270 53.755 54.000 0.042 0.000 0.856 665 D CB 0.431 41.255 40.800 0.040 0.000 0.922 665 D HN 0.224 nan 8.370 nan 0.000 0.518 666 L N 1.857 123.126 121.223 0.077 0.000 2.342 666 L HA 0.118 4.459 4.340 0.002 0.000 0.285 666 L C 1.105 178.032 176.870 0.096 0.000 1.095 666 L CA 0.284 55.189 54.840 0.109 0.000 0.843 666 L CB 0.246 42.388 42.059 0.139 0.000 1.201 666 L HN -0.104 nan 8.230 nan 0.000 0.445 667 K N 2.951 123.412 120.400 0.101 0.000 2.438 667 K HA 0.440 4.761 4.320 0.002 0.000 0.206 667 K C 0.516 177.174 176.600 0.097 0.000 1.081 667 K CA 0.048 56.392 56.287 0.094 0.000 1.053 667 K CB 0.544 33.090 32.500 0.077 0.000 0.908 667 K HN 0.605 nan 8.250 nan 0.000 0.556 668 G N 0.914 109.782 108.800 0.113 0.000 2.671 668 G HA2 0.408 4.369 3.960 0.002 0.000 0.275 668 G HA3 0.408 4.369 3.960 0.002 0.000 0.275 668 G C -0.917 174.043 174.900 0.101 0.000 1.368 668 G CA -0.876 44.290 45.100 0.111 0.000 1.044 668 G HN -0.024 nan 8.290 nan 0.000 0.543 669 R N -0.286 120.263 120.500 0.081 0.000 2.229 669 R HA 0.494 4.835 4.340 0.002 0.000 0.328 669 R C -1.283 175.150 176.300 0.222 0.000 1.009 669 R CA -0.665 55.471 56.100 0.060 0.000 0.864 669 R CB 0.826 30.982 30.300 -0.240 0.000 1.085 669 R HN 0.304 nan 8.270 nan 0.000 0.453 670 L N 3.452 124.813 121.223 0.231 0.000 2.439 670 L HA 0.525 4.866 4.340 0.002 0.000 0.270 670 L C -0.951 175.923 176.870 0.007 0.000 0.972 670 L CA -0.380 54.546 54.840 0.144 0.000 0.836 670 L CB 1.893 44.022 42.059 0.116 0.000 1.255 670 L HN 0.647 nan 8.230 nan 0.000 0.404 671 M N 5.236 124.649 119.600 -0.313 0.000 2.205 671 M HA 0.553 5.034 4.480 0.002 0.000 0.344 671 M C -1.726 174.481 176.300 -0.156 0.000 1.085 671 M CA -0.632 54.431 55.300 -0.396 0.000 1.001 671 M CB 1.151 33.139 32.600 -1.021 0.000 1.626 671 M HN 0.621 nan 8.290 nan 0.000 0.442 672 L N 6.116 127.380 121.223 0.068 0.000 2.322 672 L HA 0.610 4.951 4.340 0.002 0.000 0.279 672 L C -0.622 176.330 176.870 0.137 0.000 1.036 672 L CA -0.079 54.829 54.840 0.113 0.000 0.807 672 L CB 1.700 43.924 42.059 0.274 0.000 1.226 672 L HN 0.650 nan 8.230 nan 0.000 0.433 673 I N 1.450 121.994 120.570 -0.044 0.000 2.545 673 I HA 0.434 4.605 4.170 0.002 0.000 0.292 673 I C -1.008 175.055 176.117 -0.090 0.000 1.040 673 I CA -0.598 60.683 61.300 -0.031 0.000 1.068 673 I CB 2.035 40.064 38.000 0.048 0.000 1.251 673 I HN 0.602 nan 8.210 nan 0.000 0.424 674 H N 2.256 121.311 119.070 -0.025 0.000 2.974 674 H HA 0.526 5.083 4.556 0.002 0.000 0.366 674 H C -0.242 175.075 175.328 -0.019 0.000 1.155 674 H CA -0.610 55.434 56.048 -0.006 0.000 1.186 674 H CB 2.216 32.022 29.762 0.074 0.000 1.799 674 H HN 0.728 nan 8.280 nan 0.000 0.541 675 G N 1.179 110.157 108.800 0.298 0.000 2.339 675 G HA2 0.403 4.364 3.960 0.002 0.000 0.287 675 G HA3 0.403 4.364 3.960 0.002 0.000 0.287 675 G C 0.819 175.632 174.900 -0.145 0.000 1.163 675 G CA 0.109 45.309 45.100 0.166 0.000 0.872 675 G HN 0.811 nan 8.290 nan 0.000 0.464 676 A N 2.803 125.324 122.820 -0.499 0.000 1.972 676 A HA -0.075 4.246 4.320 0.002 0.000 0.219 676 A C 1.931 179.306 177.584 -0.348 0.000 1.169 676 A CA 1.450 52.868 52.037 -1.033 0.000 0.635 676 A CB -0.346 18.027 19.000 -1.045 0.000 0.810 676 A HN 1.107 nan 8.150 nan 0.000 0.446 677 I N -3.220 117.289 120.570 -0.102 0.000 3.874 677 I HA 0.218 4.389 4.170 0.002 0.000 0.331 677 I C -0.248 175.918 176.117 0.081 0.000 1.489 677 I CA -0.636 60.676 61.300 0.020 0.000 1.187 677 I CB -0.178 37.841 38.000 0.031 0.000 1.150 677 I HN -0.075 nan 8.210 nan 0.000 0.412 678 D N 4.872 125.347 120.400 0.124 0.000 2.412 678 D HA 0.053 4.694 4.640 0.002 0.000 0.257 678 D C -1.509 174.877 176.300 0.144 0.000 1.217 678 D CA -1.580 52.553 54.000 0.221 0.000 0.897 678 D CB 1.326 42.375 40.800 0.414 0.000 1.132 678 D HN 0.253 nan 8.370 nan 0.000 0.493 679 P HA 0.049 nan 4.420 nan 0.000 0.275 679 P C 0.874 178.222 177.300 0.080 0.000 1.310 679 P CA -0.095 63.056 63.100 0.084 0.000 0.904 679 P CB 0.888 32.659 31.700 0.119 0.000 1.381 680 V N -0.429 119.502 119.914 0.027 0.000 2.484 680 V HA 0.077 4.198 4.120 0.002 0.000 0.236 680 V C 1.132 177.179 176.094 -0.078 0.000 1.062 680 V CA 0.894 63.161 62.300 -0.056 0.000 1.081 680 V CB -0.024 31.571 31.823 -0.381 0.000 0.751 680 V HN -0.203 nan 8.190 nan 0.000 0.484 681 V N 3.491 123.384 119.914 -0.036 0.000 2.293 681 V HA 0.329 4.450 4.120 0.002 0.000 0.275 681 V C -0.179 176.072 176.094 0.261 0.000 1.021 681 V CA -0.771 61.569 62.300 0.066 0.000 0.815 681 V CB 1.261 33.109 31.823 0.042 0.000 1.025 681 V HN 0.343 nan 8.190 nan 0.000 0.448 682 V N 2.479 122.457 119.914 0.106 0.000 2.694 682 V HA 0.050 4.171 4.120 0.002 0.000 0.306 682 V C 1.312 177.520 176.094 0.191 0.000 1.054 682 V CA -0.031 62.319 62.300 0.082 0.000 1.161 682 V CB 0.211 31.951 31.823 -0.138 0.000 0.916 682 V HN 0.946 nan 8.190 nan 0.000 0.490 683 W N 2.539 123.691 121.300 -0.246 0.000 2.292 683 W HA -0.265 4.396 4.660 0.002 0.000 0.304 683 W C 2.459 178.816 176.519 -0.270 0.000 1.228 683 W CA 2.265 59.259 57.345 -0.585 0.000 1.241 683 W CB -0.529 28.754 29.460 -0.296 0.000 1.142 683 W HN 0.983 nan 8.180 nan 0.000 0.520 684 Q N -1.234 118.553 119.800 -0.021 0.000 2.217 684 Q HA -0.298 4.043 4.340 0.002 0.000 0.209 684 Q C 2.247 178.195 176.000 -0.087 0.000 0.988 684 Q CA 2.089 57.807 55.803 -0.141 0.000 0.878 684 Q CB -0.675 27.960 28.738 -0.172 0.000 0.909 684 Q HN 0.386 nan 8.270 nan 0.000 0.424 685 H N -0.249 118.837 119.070 0.027 0.000 2.265 685 H HA -0.120 4.437 4.556 0.002 0.000 0.295 685 H C 2.545 177.947 175.328 0.123 0.000 1.084 685 H CA 2.087 58.180 56.048 0.076 0.000 1.261 685 H CB -0.292 29.538 29.762 0.113 0.000 1.360 685 H HN 0.505 nan 8.280 nan 0.000 0.487 686 S N 0.591 116.511 115.700 0.366 0.000 2.406 686 S HA -0.036 4.435 4.470 0.002 0.000 0.228 686 S C 2.389 177.061 174.600 0.121 0.000 1.020 686 S CA 0.426 58.832 58.200 0.342 0.000 0.965 686 S CB -0.625 62.967 63.200 0.653 0.000 0.798 686 S HN 0.211 nan 8.310 nan 0.000 0.488 687 L N 0.792 122.016 121.223 0.001 0.000 2.017 687 L HA 0.015 4.356 4.340 0.002 0.000 0.208 687 L C 2.614 179.384 176.870 -0.167 0.000 1.073 687 L CA 1.197 55.911 54.840 -0.211 0.000 0.745 687 L CB -0.596 41.229 42.059 -0.390 0.000 0.894 687 L HN 0.298 nan 8.230 nan 0.000 0.432 688 L N -1.526 119.639 121.223 -0.097 0.000 2.201 688 L HA -0.224 4.117 4.340 0.002 0.000 0.212 688 L C 2.496 179.344 176.870 -0.037 0.000 1.105 688 L CA 0.941 55.732 54.840 -0.081 0.000 0.775 688 L CB -0.412 41.608 42.059 -0.065 0.000 0.913 688 L HN 0.200 nan 8.230 nan 0.000 0.440 689 F N 0.631 120.522 119.950 -0.097 0.000 2.146 689 F HA -0.185 4.343 4.527 0.002 0.000 0.298 689 F C 2.195 177.911 175.800 -0.139 0.000 1.096 689 F CA 1.391 59.340 58.000 -0.085 0.000 1.275 689 F CB -0.109 38.864 39.000 -0.045 0.000 1.008 689 F HN -0.128 nan 8.300 nan 0.000 0.480 690 L N -0.189 120.919 121.223 -0.191 0.000 2.083 690 L HA -0.225 4.116 4.340 0.002 0.000 0.209 690 L C 2.102 178.779 176.870 -0.321 0.000 1.083 690 L CA 1.967 56.619 54.840 -0.314 0.000 0.752 690 L CB -0.942 40.893 42.059 -0.373 0.000 0.899 690 L HN 0.166 nan 8.230 nan 0.000 0.433 691 D N 0.127 120.371 120.400 -0.261 0.000 2.097 691 D HA -0.172 4.469 4.640 0.002 0.000 0.195 691 D C 2.178 178.332 176.300 -0.243 0.000 0.989 691 D CA 1.377 55.243 54.000 -0.222 0.000 0.827 691 D CB 0.162 40.856 40.800 -0.177 0.000 0.966 691 D HN 0.247 nan 8.370 nan 0.000 0.456 692 A N -0.522 122.131 122.820 -0.278 0.000 1.972 692 A HA -0.157 4.164 4.320 0.002 0.000 0.219 692 A C 2.463 179.828 177.584 -0.364 0.000 1.169 692 A CA 1.319 53.185 52.037 -0.284 0.000 0.635 692 A CB -0.909 17.927 19.000 -0.273 0.000 0.810 692 A HN 0.498 nan 8.150 nan 0.000 0.446 693 C N -1.356 117.640 119.300 -0.507 0.000 2.435 693 C HA -0.012 4.449 4.460 0.002 0.000 0.279 693 C C 2.723 177.470 174.990 -0.405 0.000 1.321 693 C CA 0.901 59.621 59.018 -0.496 0.000 1.752 693 C CB -1.120 26.281 27.740 -0.564 0.000 1.959 693 C HN 0.471 nan 8.230 nan 0.000 0.500 694 V N 1.060 120.772 119.914 -0.337 0.000 2.295 694 V HA -0.188 3.933 4.120 0.002 0.000 0.246 694 V C 2.435 178.394 176.094 -0.224 0.000 1.049 694 V CA 1.844 63.977 62.300 -0.278 0.000 1.024 694 V CB -0.507 31.194 31.823 -0.203 0.000 0.648 694 V HN 0.408 nan 8.190 nan 0.000 0.447 695 K N 0.961 121.245 120.400 -0.194 0.000 2.057 695 K HA -0.008 4.313 4.320 0.002 0.000 0.207 695 K C 2.004 178.519 176.600 -0.141 0.000 1.049 695 K CA 1.503 57.703 56.287 -0.144 0.000 0.931 695 K CB -0.804 31.621 32.500 -0.126 0.000 0.714 695 K HN 0.471 nan 8.250 nan 0.000 0.440 696 A N 0.162 122.875 122.820 -0.178 0.000 2.238 696 A HA 0.038 4.359 4.320 0.002 0.000 0.208 696 A C -0.170 177.320 177.584 -0.157 0.000 1.177 696 A CA 0.076 52.023 52.037 -0.150 0.000 0.804 696 A CB -0.087 18.816 19.000 -0.161 0.000 0.823 696 A HN 0.212 nan 8.150 nan 0.000 0.482 697 R N 0.025 120.391 120.500 -0.225 0.000 3.332 697 R HA -0.120 4.221 4.340 0.002 0.000 0.263 697 R C -0.211 175.879 176.300 -0.349 0.000 1.053 697 R CA 1.220 57.167 56.100 -0.256 0.000 0.705 697 R CB -3.120 27.150 30.300 -0.049 0.000 1.166 697 R HN 0.796 nan 8.270 nan 0.000 0.427 698 T N -3.082 111.146 114.554 -0.543 0.000 2.924 698 T HA 0.736 5.087 4.350 0.002 0.000 0.291 698 T C -0.300 173.969 174.700 -0.719 0.000 1.045 698 T CA -0.720 61.149 62.100 -0.384 0.000 1.015 698 T CB 1.806 70.569 68.868 -0.175 0.000 1.103 698 T HN 0.168 nan 8.240 nan 0.000 0.496 699 Y N 1.563 121.847 120.300 -0.026 0.000 2.787 699 Y HA 0.423 4.974 4.550 0.002 0.000 0.352 699 Y C -2.205 173.708 175.900 0.022 0.000 1.027 699 Y CA -2.228 55.864 58.100 -0.013 0.000 1.219 699 Y CB 0.700 39.157 38.460 -0.005 0.000 1.110 699 Y HN 0.554 nan 8.280 nan 0.000 0.614 700 P HA 0.293 nan 4.420 nan 0.000 0.279 700 P C -0.593 176.791 177.300 0.139 0.000 1.276 700 P CA -0.245 62.936 63.100 0.135 0.000 0.801 700 P CB 1.966 33.761 31.700 0.158 0.000 1.127 701 D N -1.568 118.921 120.400 0.147 0.000 2.467 701 D HA 0.457 5.098 4.640 0.002 0.000 0.245 701 D C -1.087 175.349 176.300 0.226 0.000 1.038 701 D CA 0.153 54.256 54.000 0.171 0.000 1.038 701 D CB 1.513 42.435 40.800 0.203 0.000 1.278 701 D HN 0.301 nan 8.370 nan 0.000 0.564 702 Y N -0.154 120.181 120.300 0.059 0.000 2.624 702 Y HA 0.440 4.991 4.550 0.002 0.000 0.334 702 Y C -1.989 173.993 175.900 0.137 0.000 1.155 702 Y CA -0.905 57.242 58.100 0.078 0.000 1.046 702 Y CB 1.473 39.980 38.460 0.078 0.000 1.316 702 Y HN 0.383 nan 8.280 nan 0.000 0.457 703 Y N 2.440 122.556 120.300 -0.308 0.000 2.480 703 Y HA 0.664 5.215 4.550 0.002 0.000 0.329 703 Y C -1.937 173.670 175.900 -0.489 0.000 1.127 703 Y CA -0.872 57.044 58.100 -0.308 0.000 1.037 703 Y CB 1.623 40.004 38.460 -0.133 0.000 1.320 703 Y HN 0.449 nan 8.280 nan 0.000 0.446 704 V N 5.693 125.162 119.914 -0.741 0.000 2.604 704 V HA 0.356 4.477 4.120 0.002 0.000 0.305 704 V C -1.423 174.417 176.094 -0.423 0.000 1.043 704 V CA -0.906 61.121 62.300 -0.455 0.000 0.888 704 V CB 1.829 33.416 31.823 -0.394 0.000 0.995 704 V HN 0.631 nan 8.190 nan 0.000 0.429 705 Y N 5.232 125.489 120.300 -0.071 0.000 2.717 705 Y HA 0.341 4.892 4.550 0.002 0.000 0.329 705 Y C -1.742 174.118 175.900 -0.066 0.000 1.017 705 Y CA -2.192 55.937 58.100 0.049 0.000 1.275 705 Y CB 1.329 39.896 38.460 0.178 0.000 1.109 705 Y HN 0.512 nan 8.280 nan 0.000 0.511 706 P HA -0.141 nan 4.420 nan 0.000 0.219 706 P C 0.998 178.288 177.300 -0.018 0.000 1.146 706 P CA 1.535 64.554 63.100 -0.134 0.000 0.808 706 P CB 0.435 32.024 31.700 -0.185 0.000 0.779 707 S N -2.727 113.008 115.700 0.059 0.000 2.575 707 S HA 0.058 4.529 4.470 0.002 0.000 0.215 707 S C 0.604 175.088 174.600 -0.194 0.000 0.966 707 S CA 0.031 58.236 58.200 0.008 0.000 0.911 707 S CB -0.456 62.755 63.200 0.017 0.000 0.780 707 S HN 0.257 nan 8.310 nan 0.000 0.514 708 H N 1.349 120.470 119.070 0.085 0.000 2.533 708 H HA 0.407 4.964 4.556 0.002 0.000 0.343 708 H C 0.434 175.798 175.328 0.061 0.000 1.160 708 H CA -0.356 55.727 56.048 0.058 0.000 1.218 708 H CB 1.173 30.952 29.762 0.028 0.000 1.566 708 H HN 0.246 nan 8.280 nan 0.000 0.522 709 E N 0.198 120.517 120.200 0.199 0.000 3.363 709 E HA -0.037 4.314 4.350 0.002 0.000 0.481 709 E C 1.088 177.852 176.600 0.273 0.000 0.318 709 E CA -0.459 56.056 56.400 0.192 0.000 2.823 709 E CB 0.404 30.199 29.700 0.158 0.000 2.283 709 E HN 0.536 nan 8.360 nan 0.000 0.441 710 H N 0.379 119.554 119.070 0.175 0.000 2.319 710 H HA 0.037 4.594 4.556 0.002 0.000 0.299 710 H C 0.105 175.601 175.328 0.280 0.000 1.092 710 H CA 1.317 57.509 56.048 0.240 0.000 1.302 710 H CB 0.126 30.019 29.762 0.219 0.000 1.373 710 H HN 0.074 nan 8.280 nan 0.000 0.497 711 N N -0.431 118.280 118.700 0.018 0.000 2.335 711 N HA 0.213 4.954 4.740 0.002 0.000 0.304 711 N C -1.259 174.040 175.510 -0.351 0.000 1.135 711 N CA -0.545 52.289 53.050 -0.359 0.000 0.817 711 N CB 2.725 41.019 38.487 -0.322 0.000 1.294 711 N HN -0.127 nan 8.380 nan 0.000 0.497 712 V N 2.958 122.437 119.914 -0.724 0.000 2.368 712 V HA 0.330 4.451 4.120 0.002 0.000 0.266 712 V C 0.423 176.082 176.094 -0.726 0.000 1.045 712 V CA -0.007 61.746 62.300 -0.911 0.000 0.899 712 V CB 0.033 31.152 31.823 -1.175 0.000 1.006 712 V HN 0.529 nan 8.190 nan 0.000 0.470 713 M N 3.124 122.507 119.600 -0.363 0.000 2.811 713 M HA 0.831 5.312 4.480 0.002 0.000 0.303 713 M C 0.819 177.056 176.300 -0.104 0.000 1.227 713 M CA -0.049 55.160 55.300 -0.151 0.000 0.874 713 M CB 1.967 34.622 32.600 0.092 0.000 1.681 713 M HN 0.797 nan 8.290 nan 0.000 0.500 714 G N 0.784 109.522 108.800 -0.102 0.000 2.693 714 G HA2 -0.159 3.802 3.960 0.002 0.000 0.226 714 G HA3 -0.159 3.802 3.960 0.002 0.000 0.226 714 G C -2.146 172.686 174.900 -0.113 0.000 1.354 714 G CA -0.404 44.648 45.100 -0.080 0.000 0.873 714 G HN 0.555 nan 8.290 nan 0.000 0.562 715 P HA -0.036 nan 4.420 nan 0.000 0.219 715 P C 0.885 178.171 177.300 -0.024 0.000 1.146 715 P CA 1.815 64.898 63.100 -0.029 0.000 0.808 715 P CB -0.094 31.607 31.700 0.002 0.000 0.779 716 D N -0.355 120.034 120.400 -0.018 0.000 2.309 716 D HA -0.118 4.523 4.640 0.002 0.000 0.212 716 D C 2.031 178.256 176.300 -0.124 0.000 0.968 716 D CA 0.579 54.576 54.000 -0.004 0.000 0.882 716 D CB -0.563 40.269 40.800 0.054 0.000 0.918 716 D HN 0.219 nan 8.370 nan 0.000 0.503 717 R N 0.289 120.640 120.500 -0.249 0.000 2.189 717 R HA -0.064 4.277 4.340 0.002 0.000 0.223 717 R C 1.758 177.896 176.300 -0.269 0.000 1.092 717 R CA 0.407 56.276 56.100 -0.385 0.000 0.989 717 R CB 0.091 30.047 30.300 -0.573 0.000 0.876 717 R HN 0.021 nan 8.270 nan 0.000 0.457 718 V N 0.024 119.873 119.914 -0.109 0.000 2.358 718 V HA -0.260 3.861 4.120 0.002 0.000 0.246 718 V C 2.374 178.505 176.094 0.063 0.000 1.047 718 V CA 1.970 64.241 62.300 -0.048 0.000 1.035 718 V CB -0.732 31.087 31.823 -0.008 0.000 0.658 718 V HN 0.500 nan 8.190 nan 0.000 0.452 719 H N -0.090 118.993 119.070 0.021 0.000 2.387 719 H HA -0.151 4.406 4.556 0.002 0.000 0.299 719 H C 2.206 177.607 175.328 0.121 0.000 1.090 719 H CA 2.184 58.281 56.048 0.080 0.000 1.332 719 H CB 0.002 29.839 29.762 0.125 0.000 1.386 719 H HN 0.355 nan 8.280 nan 0.000 0.516 720 L N 0.386 121.765 121.223 0.260 0.000 2.017 720 L HA -0.198 4.143 4.340 0.002 0.000 0.208 720 L C 2.294 179.381 176.870 0.362 0.000 1.073 720 L CA 1.645 56.631 54.840 0.244 0.000 0.745 720 L CB -1.125 40.904 42.059 -0.051 0.000 0.894 720 L HN 0.260 nan 8.230 nan 0.000 0.432 721 Y N -0.675 119.721 120.300 0.160 0.000 2.224 721 Y HA -0.218 4.333 4.550 0.002 0.000 0.289 721 Y C 2.631 178.726 175.900 0.326 0.000 1.146 721 Y CA 0.604 58.906 58.100 0.335 0.000 1.182 721 Y CB -0.004 38.658 38.460 0.336 0.000 0.983 721 Y HN 0.269 nan 8.280 nan 0.000 0.524 722 E N -0.184 120.221 120.200 0.341 0.000 2.077 722 E HA -0.144 4.207 4.350 0.002 0.000 0.193 722 E C 2.150 178.795 176.600 0.075 0.000 0.989 722 E CA 1.538 58.049 56.400 0.185 0.000 0.800 722 E CB -0.488 29.228 29.700 0.027 0.000 0.746 722 E HN 0.407 nan 8.360 nan 0.000 0.452 723 T N 1.807 116.354 114.554 -0.011 0.000 2.674 723 T HA -0.108 4.243 4.350 0.002 0.000 0.265 723 T C 2.168 176.915 174.700 0.078 0.000 1.039 723 T CA 1.159 63.231 62.100 -0.048 0.000 1.150 723 T CB -0.261 68.520 68.868 -0.146 0.000 0.864 723 T HN 0.103 nan 8.240 nan 0.000 0.427 724 I N 1.700 122.361 120.570 0.152 0.000 2.142 724 I HA -0.214 3.957 4.170 0.002 0.000 0.240 724 I C 3.033 179.326 176.117 0.293 0.000 1.078 724 I CA 1.755 63.154 61.300 0.166 0.000 1.343 724 I CB -0.936 37.161 38.000 0.162 0.000 1.046 724 I HN 0.419 nan 8.210 nan 0.000 0.405 725 T N -0.865 113.873 114.554 0.306 0.000 2.746 725 T HA -0.255 4.096 4.350 0.002 0.000 0.267 725 T C 2.020 176.762 174.700 0.070 0.000 1.039 725 T CA 1.241 63.431 62.100 0.149 0.000 1.142 725 T CB -0.508 68.244 68.868 -0.195 0.000 0.866 725 T HN 0.289 nan 8.240 nan 0.000 0.444 726 R N -0.780 119.758 120.500 0.064 0.000 2.120 726 R HA -0.099 4.242 4.340 0.002 0.000 0.234 726 R C 2.299 178.620 176.300 0.036 0.000 1.123 726 R CA 1.099 57.215 56.100 0.026 0.000 0.975 726 R CB -0.527 29.788 30.300 0.025 0.000 0.866 726 R HN 0.531 nan 8.270 nan 0.000 0.446 727 Y N 0.077 120.348 120.300 -0.049 0.000 2.181 727 Y HA -0.217 4.333 4.550 0.002 0.000 0.288 727 Y C 1.559 177.401 175.900 -0.096 0.000 1.146 727 Y CA 1.779 59.835 58.100 -0.074 0.000 1.164 727 Y CB -0.294 38.066 38.460 -0.167 0.000 0.982 727 Y HN -0.008 nan 8.280 nan 0.000 0.515 728 F N -0.352 119.638 119.950 0.068 0.000 2.146 728 F HA -0.174 4.354 4.527 0.002 0.000 0.298 728 F C 2.763 178.453 175.800 -0.183 0.000 1.096 728 F CA 1.873 59.828 58.000 -0.075 0.000 1.275 728 F CB -1.290 37.585 39.000 -0.208 0.000 1.008 728 F HN 0.111 nan 8.300 nan 0.000 0.480 729 T N -3.078 111.446 114.554 -0.050 0.000 2.915 729 T HA -0.141 4.210 4.350 0.002 0.000 0.269 729 T C 1.546 176.243 174.700 -0.006 0.000 1.071 729 T CA 1.528 63.635 62.100 0.012 0.000 1.132 729 T CB -0.371 68.490 68.868 -0.011 0.000 0.878 729 T HN 0.065 nan 8.240 nan 0.000 0.479 730 D N 0.736 121.039 120.400 -0.161 0.000 2.120 730 D HA -0.025 4.616 4.640 0.002 0.000 0.202 730 D C 2.083 178.115 176.300 -0.446 0.000 0.972 730 D CA 1.125 54.903 54.000 -0.370 0.000 0.837 730 D CB -0.178 40.229 40.800 -0.656 0.000 0.989 730 D HN 0.558 nan 8.370 nan 0.000 0.469 731 H N -1.077 117.906 119.070 -0.146 0.000 2.729 731 H HA 0.184 4.741 4.556 0.002 0.000 0.263 731 H C 0.887 176.233 175.328 0.031 0.000 0.961 731 H CA -0.277 55.697 56.048 -0.124 0.000 1.217 731 H CB 0.622 30.182 29.762 -0.336 0.000 1.447 731 H HN 0.099 nan 8.280 nan 0.000 0.496 732 L N 0.000 121.379 121.223 0.259 0.000 2.949 732 L HA 0.000 4.341 4.340 0.002 0.000 0.249 732 L CA 0.000 55.056 54.840 0.360 0.000 0.813 732 L CB 0.000 42.409 42.059 0.584 0.000 0.961 732 L HN 0.000 nan 8.230 nan 0.000 0.502