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 2ood_1_A DATA FIRST_RESID 3 DATA SEQUENCE LTTVGIRGTF FDFVDDPWKH IGNEQAAARF HQDGLXVVTD GVIKAFGPYE DATA SEQUENCE KIAAAHPGVE ITHIKDRIIV PGFIDGHIHL PQTRVLGAYG EQLLPWLQKS DATA SEQUENCE IYPEEIKYKD RNYAREGVKR FLDALLAAGT TTCQAFTSSS PVATEELFEE DATA SEQUENCE ASRRNXRVIA GLTGIDRNAP AEFIDTPENF YRDSKRLIAQ YHDKGRNLYA DATA SEQUENCE ITPRFAFGAS PELLKACQRL KHEHPDCWVN THISENPAEC SGVLVEHPDC DATA SEQUENCE QDYLGVYEKF DLVGPKFSGG HGVYLSNNEF RRXSKKGAAV VFCPCSNLFL DATA SEQUENCE GSGLFRLGRA TDPEHRVKXS FGTDVGGGNR FSXISVLDDA YKVGXCNNTL DATA SEQUENCE LDGSIDPSRK DLAEAERNKL SPYRGFWSVT LGGAEGLYID DKLGNFEPGK DATA SEQUENCE EADFVALDPN GGQLAQPWHQ SLIXXGAGPR TVDEAASXLF AVXXVGDDRC DATA SEQUENCE VDETWVXGKR LYKKS 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.888 176.870 0.031 0.000 1.165 3 L CA 0.000 54.856 54.840 0.027 0.000 0.813 3 L CB 0.000 42.076 42.059 0.028 0.000 0.961 4 T N -0.085 114.491 114.554 0.037 0.000 2.906 4 T HA 0.666 5.016 4.350 0.000 0.000 0.295 4 T C -1.196 173.531 174.700 0.044 0.000 1.075 4 T CA -0.089 62.035 62.100 0.041 0.000 1.005 4 T CB 2.087 70.983 68.868 0.048 0.000 1.136 4 T HN 0.144 nan 8.240 nan 0.000 0.498 5 T N 2.511 117.091 114.554 0.043 0.000 3.031 5 T HA 0.572 4.923 4.350 0.000 0.000 0.305 5 T C -1.258 173.463 174.700 0.035 0.000 0.985 5 T CA -0.494 61.627 62.100 0.035 0.000 1.008 5 T CB 1.267 70.151 68.868 0.027 0.000 1.005 5 T HN 0.607 nan 8.240 nan 0.000 0.444 6 V N 2.381 122.318 119.914 0.039 0.000 2.960 6 V HA 0.989 5.110 4.120 0.000 0.000 0.315 6 V C -0.274 175.818 176.094 -0.004 0.000 1.087 6 V CA -0.371 61.956 62.300 0.045 0.000 0.982 6 V CB 2.081 33.968 31.823 0.107 0.000 1.039 6 V HN 0.983 nan 8.190 nan 0.000 0.437 7 G N 4.836 113.628 108.800 -0.013 0.000 2.557 7 G HA2 0.631 4.591 3.960 0.000 0.000 0.310 7 G HA3 0.631 4.591 3.960 0.000 0.000 0.310 7 G C -1.397 173.470 174.900 -0.054 0.000 1.328 7 G CA -0.495 44.568 45.100 -0.062 0.000 0.945 7 G HN 0.548 nan 8.290 nan 0.000 0.494 8 I N 1.598 122.099 120.570 -0.116 0.000 2.353 8 I HA 0.473 4.643 4.170 0.000 0.000 0.293 8 I C 0.606 176.737 176.117 0.024 0.000 0.992 8 I CA -0.514 60.712 61.300 -0.123 0.000 1.268 8 I CB 1.561 39.347 38.000 -0.356 0.000 1.387 8 I HN 0.440 nan 8.210 nan 0.000 0.478 9 R N 4.222 124.739 120.500 0.028 0.000 2.670 9 R HA 0.871 5.211 4.340 0.000 0.000 0.289 9 R C -0.417 175.929 176.300 0.077 0.000 0.965 9 R CA -0.408 55.730 56.100 0.063 0.000 0.899 9 R CB 1.813 32.019 30.300 -0.157 0.000 1.173 9 R HN 0.856 nan 8.270 nan 0.000 0.456 10 G N 0.647 109.453 108.800 0.011 0.000 2.352 10 G HA2 -0.017 3.943 3.960 0.000 0.000 0.283 10 G HA3 -0.017 3.943 3.960 0.000 0.000 0.283 10 G C -1.428 173.322 174.900 -0.251 0.000 1.308 10 G CA -0.887 44.138 45.100 -0.125 0.000 0.892 10 G HN 0.463 nan 8.290 nan 0.000 0.504 11 T N 1.230 115.625 114.554 -0.264 0.000 2.779 11 T HA 0.550 4.900 4.350 0.000 0.000 0.296 11 T C -0.726 173.819 174.700 -0.258 0.000 0.938 11 T CA 0.601 62.600 62.100 -0.168 0.000 1.119 11 T CB 0.012 68.869 68.868 -0.019 0.000 0.891 11 T HN 0.346 nan 8.240 nan 0.000 0.526 12 F N 2.547 122.530 119.950 0.055 0.000 2.492 12 F HA 0.676 5.203 4.527 0.000 0.000 0.327 12 F C -0.257 175.779 175.800 0.393 0.000 1.079 12 F CA -1.403 56.742 58.000 0.241 0.000 0.967 12 F CB 1.541 40.759 39.000 0.364 0.000 1.169 12 F HN 0.496 nan 8.300 nan 0.000 0.472 13 F N 4.023 124.272 119.950 0.497 0.000 2.653 13 F HA 0.379 4.906 4.527 0.000 0.000 0.327 13 F C -1.305 174.583 175.800 0.147 0.000 1.195 13 F CA -0.525 57.648 58.000 0.287 0.000 0.993 13 F CB 0.767 39.852 39.000 0.142 0.000 1.259 13 F HN 0.607 nan 8.300 nan 0.000 0.478 14 D N 3.432 123.693 120.400 -0.232 0.000 2.752 14 D HA 0.408 5.048 4.640 0.000 0.000 0.313 14 D C -1.570 174.398 176.300 -0.555 0.000 1.225 14 D CA -0.398 53.440 54.000 -0.269 0.000 0.976 14 D CB 1.629 42.266 40.800 -0.272 0.000 1.443 14 D HN 0.220 nan 8.370 nan 0.000 0.515 15 F N -0.791 119.173 119.950 0.024 0.000 2.538 15 F HA 0.404 4.931 4.527 0.000 0.000 0.325 15 F C 1.293 177.155 175.800 0.104 0.000 1.066 15 F CA -0.798 57.267 58.000 0.109 0.000 0.946 15 F CB 2.320 41.537 39.000 0.361 0.000 1.199 15 F HN 0.257 nan 8.300 nan 0.000 0.473 16 V N -2.741 117.341 119.914 0.280 0.000 3.502 16 V HA 0.428 4.548 4.120 0.000 0.000 0.288 16 V C -0.623 175.599 176.094 0.213 0.000 1.461 16 V CA 0.091 62.508 62.300 0.194 0.000 1.029 16 V CB 0.309 32.195 31.823 0.105 0.000 0.843 16 V HN 0.728 nan 8.190 nan 0.000 0.438 17 D N -0.455 120.099 120.400 0.256 0.000 2.713 17 D HA 0.269 4.910 4.640 0.000 0.000 0.306 17 D C -1.882 174.425 176.300 0.011 0.000 1.299 17 D CA -0.317 53.794 54.000 0.185 0.000 0.823 17 D CB 2.181 43.060 40.800 0.131 0.000 1.353 17 D HN 0.075 nan 8.370 nan 0.000 0.447 18 D N 0.393 120.686 120.400 -0.179 0.000 2.317 18 D HA 0.287 4.927 4.640 0.000 0.000 0.252 18 D C -1.795 174.211 176.300 -0.490 0.000 1.174 18 D CA -1.853 51.644 54.000 -0.839 0.000 0.866 18 D CB 1.855 42.325 40.800 -0.549 0.000 1.127 18 D HN -0.021 nan 8.370 nan 0.000 0.467 19 P HA -0.051 nan 4.420 nan 0.000 0.220 19 P C 0.972 178.101 177.300 -0.284 0.000 1.148 19 P CA 0.924 63.795 63.100 -0.382 0.000 0.803 19 P CB 0.024 31.478 31.700 -0.410 0.000 0.782 20 W N 0.568 121.701 121.300 -0.279 0.000 2.392 20 W HA -0.053 4.607 4.660 0.000 0.000 0.279 20 W C 1.904 178.346 176.519 -0.128 0.000 1.225 20 W CA 0.832 58.075 57.345 -0.170 0.000 1.233 20 W CB -0.820 28.522 29.460 -0.197 0.000 1.122 20 W HN -0.070 nan 8.180 nan 0.000 0.561 21 K N -0.543 119.899 120.400 0.070 0.000 2.525 21 K HA -0.039 4.281 4.320 0.000 0.000 0.192 21 K C -0.532 175.909 176.600 -0.266 0.000 1.029 21 K CA 0.561 56.807 56.287 -0.068 0.000 1.029 21 K CB -0.214 32.222 32.500 -0.106 0.000 0.814 21 K HN 0.200 nan 8.250 nan 0.000 0.503 22 H N -0.269 118.749 119.070 -0.086 0.000 2.379 22 H HA 0.218 4.775 4.556 0.000 0.000 0.229 22 H C -0.947 174.320 175.328 -0.101 0.000 1.423 22 H CA -0.692 55.299 56.048 -0.095 0.000 1.375 22 H CB -0.084 29.604 29.762 -0.124 0.000 1.592 22 H HN -0.086 nan 8.280 nan 0.000 0.507 23 I N 0.908 121.475 120.570 -0.004 0.000 2.752 23 I HA 0.111 4.282 4.170 0.000 0.000 0.289 23 I C 1.623 177.727 176.117 -0.022 0.000 1.197 23 I CA 1.260 62.552 61.300 -0.014 0.000 1.432 23 I CB 0.386 38.383 38.000 -0.004 0.000 1.359 23 I HN 0.812 nan 8.210 nan 0.000 0.571 24 G N 4.383 113.160 108.800 -0.037 0.000 2.184 24 G HA2 -0.359 3.601 3.960 0.000 0.000 0.264 24 G HA3 -0.359 3.601 3.960 0.000 0.000 0.264 24 G C 0.452 175.320 174.900 -0.053 0.000 0.975 24 G CA 0.504 45.580 45.100 -0.040 0.000 0.642 24 G HN 0.769 nan 8.290 nan 0.000 0.536 25 N N -0.131 118.530 118.700 -0.065 0.000 2.605 25 N HA 0.213 4.953 4.740 0.000 0.000 0.265 25 N C 1.010 176.421 175.510 -0.166 0.000 1.625 25 N CA 0.466 53.463 53.050 -0.088 0.000 0.862 25 N CB 0.214 38.689 38.487 -0.020 0.000 1.415 25 N HN 0.369 nan 8.380 nan 0.000 0.513 26 E N -0.345 119.667 120.200 -0.314 0.000 2.265 26 E HA -0.204 4.146 4.350 0.000 0.000 0.196 26 E C 0.829 176.994 176.600 -0.725 0.000 0.996 26 E CA 0.916 57.005 56.400 -0.519 0.000 0.832 26 E CB 0.179 29.485 29.700 -0.657 0.000 0.756 26 E HN 0.478 nan 8.360 nan 0.000 0.491 27 Q N 0.852 120.245 119.800 -0.677 0.000 2.197 27 Q HA -0.170 4.170 4.340 0.000 0.000 0.207 27 Q C 2.081 177.935 176.000 -0.244 0.000 0.984 27 Q CA 1.679 57.251 55.803 -0.386 0.000 0.869 27 Q CB -0.502 28.141 28.738 -0.158 0.000 0.906 27 Q HN 0.336 nan 8.270 nan 0.000 0.426 28 A N 0.209 122.855 122.820 -0.290 0.000 2.125 28 A HA 0.021 4.341 4.320 0.000 0.000 0.219 28 A C 2.080 179.428 177.584 -0.394 0.000 1.156 28 A CA 1.454 53.314 52.037 -0.295 0.000 0.671 28 A CB -0.548 18.289 19.000 -0.272 0.000 0.794 28 A HN 0.368 nan 8.150 nan 0.000 0.459 29 A N -1.090 121.485 122.820 -0.408 0.000 2.147 29 A HA 0.639 4.959 4.320 0.000 0.000 0.211 29 A C 1.323 178.956 177.584 0.082 0.000 1.160 29 A CA 0.799 52.713 52.037 -0.204 0.000 0.781 29 A CB -0.383 18.513 19.000 -0.175 0.000 0.842 29 A HN 0.845 nan 8.150 nan 0.000 0.475 30 A N -0.163 122.633 122.820 -0.039 0.000 2.264 30 A HA 0.707 5.027 4.320 0.000 0.000 0.304 30 A C 0.286 177.671 177.584 -0.332 0.000 1.100 30 A CA -0.623 51.205 52.037 -0.349 0.000 0.839 30 A CB 0.486 19.248 19.000 -0.396 0.000 1.121 30 A HN 0.363 nan 8.150 nan 0.000 0.496 31 R N 0.717 120.923 120.500 -0.490 0.000 2.502 31 R HA 0.495 4.835 4.340 0.000 0.000 0.298 31 R C -2.315 173.821 176.300 -0.274 0.000 1.018 31 R CA -0.332 55.603 56.100 -0.274 0.000 0.899 31 R CB 1.024 31.259 30.300 -0.110 0.000 1.181 31 R HN 0.661 nan 8.270 nan 0.000 0.444 32 F N 4.206 123.929 119.950 -0.378 0.000 2.520 32 F HA 0.486 5.013 4.527 0.000 0.000 0.322 32 F C -1.129 174.497 175.800 -0.289 0.000 1.103 32 F CA -0.583 57.288 58.000 -0.215 0.000 0.926 32 F CB 1.326 40.289 39.000 -0.062 0.000 1.154 32 F HN 0.511 nan 8.300 nan 0.000 0.453 33 H N 6.193 124.825 119.070 -0.731 0.000 2.970 33 H HA 0.152 4.709 4.556 0.000 0.000 0.315 33 H C 0.574 175.357 175.328 -0.908 0.000 0.992 33 H CA -0.189 55.477 56.048 -0.637 0.000 1.363 33 H CB 1.954 31.539 29.762 -0.295 0.000 1.532 33 H HN 0.874 nan 8.280 nan 0.000 0.514 34 Q N 1.792 121.086 119.800 -0.844 0.000 2.124 34 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 34 Q C -0.361 175.548 176.000 -0.151 0.000 0.977 34 Q CA 1.536 57.078 55.803 -0.435 0.000 0.850 34 Q CB 0.479 29.183 28.738 -0.057 0.000 0.901 34 Q HN 0.472 nan 8.270 nan 0.000 0.429 35 D N -0.450 119.893 120.400 -0.094 0.000 2.364 35 D HA 0.357 4.997 4.640 0.000 0.000 0.251 35 D C -1.007 175.280 176.300 -0.022 0.000 1.282 35 D CA -0.201 53.774 54.000 -0.042 0.000 0.927 35 D CB 0.786 41.560 40.800 -0.043 0.000 1.267 35 D HN 0.269 nan 8.370 nan 0.000 0.531 36 G N 1.015 109.835 108.800 0.033 0.000 2.644 36 G HA2 0.698 4.658 3.960 0.000 0.000 0.307 36 G HA3 0.698 4.658 3.960 0.000 0.000 0.307 36 G C -1.309 173.598 174.900 0.012 0.000 1.250 36 G CA -0.557 44.462 45.100 -0.134 0.000 0.996 36 G HN 0.396 nan 8.290 nan 0.000 0.489 40 V N 2.996 122.853 119.914 -0.096 0.000 2.398 40 V HA 0.651 4.771 4.120 0.000 0.000 0.286 40 V C 0.294 176.393 176.094 0.008 0.000 1.026 40 V CA -0.312 61.973 62.300 -0.025 0.000 0.868 40 V CB 1.993 33.836 31.823 0.032 0.000 0.982 40 V HN 0.846 nan 8.190 nan 0.000 0.443 41 T N 3.269 117.833 114.554 0.018 0.000 2.809 41 T HA 0.374 4.724 4.350 0.000 0.000 0.296 41 T C -0.290 174.437 174.700 0.045 0.000 1.015 41 T CA -0.177 61.942 62.100 0.031 0.000 0.954 41 T CB 0.441 69.325 68.868 0.026 0.000 0.950 41 T HN 0.845 nan 8.240 nan 0.000 0.450 42 D N 2.541 122.973 120.400 0.054 0.000 2.800 42 D HA -0.150 4.490 4.640 0.000 0.000 0.232 42 D C 1.211 177.552 176.300 0.067 0.000 1.137 42 D CA 1.940 55.974 54.000 0.056 0.000 0.718 42 D CB -1.353 39.474 40.800 0.045 0.000 1.084 42 D HN 1.175 nan 8.370 nan 0.000 0.432 43 G N -2.166 106.687 108.800 0.088 0.000 2.143 43 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 43 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 43 G C 0.208 175.167 174.900 0.097 0.000 0.991 43 G CA 0.237 45.402 45.100 0.108 0.000 0.689 43 G HN 0.752 nan 8.290 nan 0.000 0.522 44 V N 2.396 122.354 119.914 0.073 0.000 2.531 44 V HA 0.471 4.591 4.120 0.000 0.000 0.301 44 V C 0.756 176.873 176.094 0.037 0.000 1.034 44 V CA -1.357 60.979 62.300 0.060 0.000 0.865 44 V CB 1.773 33.627 31.823 0.051 0.000 0.995 44 V HN 0.274 nan 8.190 nan 0.000 0.424 45 I N 4.897 125.485 120.570 0.030 0.000 2.752 45 I HA 0.136 4.307 4.170 0.000 0.000 0.289 45 I C 1.039 177.154 176.117 -0.003 0.000 1.197 45 I CA 0.445 61.738 61.300 -0.011 0.000 1.432 45 I CB 0.208 38.197 38.000 -0.019 0.000 1.359 45 I HN 0.689 nan 8.210 nan 0.000 0.571 46 K N 4.113 124.495 120.400 -0.029 0.000 2.436 46 K HA 0.436 4.756 4.320 0.000 0.000 0.198 46 K C 0.066 176.665 176.600 -0.001 0.000 1.174 46 K CA 0.292 56.575 56.287 -0.008 0.000 0.951 46 K CB 1.118 33.610 32.500 -0.014 0.000 1.040 46 K HN 0.730 nan 8.250 nan 0.000 0.536 47 A N 0.912 123.702 122.820 -0.050 0.000 2.532 47 A HA 0.615 4.935 4.320 0.000 0.000 0.296 47 A C -1.939 175.635 177.584 -0.017 0.000 1.058 47 A CA -0.646 51.379 52.037 -0.019 0.000 0.729 47 A CB 0.976 19.969 19.000 -0.011 0.000 1.285 47 A HN 0.047 nan 8.150 nan 0.000 0.396 48 F N 1.502 121.340 119.950 -0.186 0.000 2.578 48 F HA 0.846 5.373 4.527 0.000 0.000 0.311 48 F C 0.256 175.897 175.800 -0.264 0.000 1.094 48 F CA 0.441 58.266 58.000 -0.293 0.000 0.923 48 F CB 2.192 41.042 39.000 -0.250 0.000 1.230 48 F HN 1.580 nan 8.300 nan 0.000 0.450 49 G N 3.979 112.065 108.800 -1.191 0.000 2.341 49 G HA2 0.300 4.260 3.960 0.000 0.000 0.293 49 G HA3 0.300 4.260 3.960 0.000 0.000 0.293 49 G C -3.384 170.811 174.900 -1.174 0.000 1.298 49 G CA -0.877 43.584 45.100 -1.065 0.000 0.868 49 G HN 0.443 nan 8.290 nan 0.000 0.540 50 P HA 0.041 nan 4.420 nan 0.000 0.268 50 P C 0.304 177.425 177.300 -0.298 0.000 1.208 50 P CA 0.053 62.862 63.100 -0.484 0.000 0.777 50 P CB 0.783 32.366 31.700 -0.195 0.000 0.875 51 Y N 3.146 123.280 120.300 -0.276 0.000 1.993 51 Y HA -0.317 4.233 4.550 0.000 0.000 0.267 51 Y C 2.293 178.102 175.900 -0.153 0.000 1.155 51 Y CA 2.260 60.239 58.100 -0.202 0.000 1.105 51 Y CB -0.941 37.422 38.460 -0.161 0.000 0.960 51 Y HN 0.317 nan 8.280 nan 0.000 0.486 52 E N 0.715 120.664 120.200 -0.417 0.000 2.045 52 E HA -0.331 4.019 4.350 0.000 0.000 0.212 52 E C 2.249 178.641 176.600 -0.347 0.000 1.039 52 E CA 1.969 58.105 56.400 -0.439 0.000 0.860 52 E CB -0.805 28.788 29.700 -0.179 0.000 0.776 52 E HN 0.560 nan 8.360 nan 0.000 0.467 53 K N 0.267 120.529 120.400 -0.229 0.000 2.127 53 K HA -0.183 4.138 4.320 0.000 0.000 0.208 53 K C 2.043 178.538 176.600 -0.176 0.000 1.047 53 K CA 1.500 57.680 56.287 -0.178 0.000 0.927 53 K CB -0.043 32.370 32.500 -0.144 0.000 0.716 53 K HN 0.042 nan 8.250 nan 0.000 0.450 54 I N 0.791 121.235 120.570 -0.210 0.000 2.400 54 I HA -0.092 4.078 4.170 0.000 0.000 0.248 54 I C 2.562 178.629 176.117 -0.084 0.000 1.109 54 I CA 1.161 62.394 61.300 -0.111 0.000 1.425 54 I CB -1.578 36.319 38.000 -0.172 0.000 1.094 54 I HN 0.200 nan 8.210 nan 0.000 0.425 55 A N 1.269 123.906 122.820 -0.306 0.000 1.908 55 A HA -0.158 4.162 4.320 0.000 0.000 0.218 55 A C 2.567 180.040 177.584 -0.184 0.000 1.181 55 A CA 2.182 54.032 52.037 -0.311 0.000 0.627 55 A CB -0.759 17.784 19.000 -0.761 0.000 0.818 55 A HN 0.410 nan 8.150 nan 0.000 0.445 56 A N -0.320 122.372 122.820 -0.213 0.000 1.898 56 A HA 0.213 4.533 4.320 0.000 0.000 0.216 56 A C 2.401 179.898 177.584 -0.144 0.000 1.181 56 A CA 1.880 53.823 52.037 -0.157 0.000 0.620 56 A CB -0.895 18.012 19.000 -0.154 0.000 0.819 56 A HN 1.126 nan 8.150 nan 0.000 0.442 57 A N -1.738 120.985 122.820 -0.162 0.000 2.168 57 A HA 0.012 4.333 4.320 0.000 0.000 0.215 57 A C 0.894 178.152 177.584 -0.543 0.000 1.152 57 A CA 0.592 52.451 52.037 -0.297 0.000 0.716 57 A CB -0.372 18.452 19.000 -0.294 0.000 0.794 57 A HN 0.602 nan 8.150 nan 0.000 0.465 58 H N -0.666 118.349 119.070 -0.091 0.000 2.379 58 H HA 0.145 4.701 4.556 0.000 0.000 0.229 58 H C -1.828 173.462 175.328 -0.062 0.000 1.423 58 H CA -1.312 54.696 56.048 -0.068 0.000 1.375 58 H CB 0.421 30.143 29.762 -0.067 0.000 1.592 58 H HN 0.292 nan 8.280 nan 0.000 0.507 59 P HA -0.207 nan 4.420 nan 0.000 0.222 59 P C 1.220 178.524 177.300 0.007 0.000 1.147 59 P CA 1.678 64.768 63.100 -0.017 0.000 0.958 59 P CB 0.062 31.744 31.700 -0.031 0.000 0.788 60 G N 0.006 108.818 108.800 0.021 0.000 4.637 60 G HA2 0.452 4.412 3.960 0.000 0.000 0.308 60 G HA3 0.452 4.412 3.960 0.000 0.000 0.308 60 G C -0.016 174.905 174.900 0.035 0.000 1.377 60 G CA -0.257 44.858 45.100 0.025 0.000 1.176 60 G HN 0.339 nan 8.290 nan 0.000 0.601 61 V N -2.653 117.287 119.914 0.043 0.000 2.539 61 V HA 0.500 4.620 4.120 0.000 0.000 0.292 61 V C -0.015 176.099 176.094 0.034 0.000 1.045 61 V CA -1.359 60.963 62.300 0.037 0.000 0.945 61 V CB 2.002 33.839 31.823 0.023 0.000 0.993 61 V HN 0.153 nan 8.190 nan 0.000 0.464 62 E N 5.235 125.457 120.200 0.036 0.000 2.059 62 E HA 0.134 4.484 4.350 0.000 0.000 0.262 62 E C 0.046 176.674 176.600 0.046 0.000 1.230 62 E CA -0.058 56.368 56.400 0.044 0.000 0.951 62 E CB 0.532 30.263 29.700 0.052 0.000 1.038 62 E HN 0.739 nan 8.360 nan 0.000 0.425 63 I N 0.665 121.261 120.570 0.044 0.000 2.396 63 I HA 0.228 4.398 4.170 0.000 0.000 0.289 63 I C -0.113 176.035 176.117 0.051 0.000 1.056 63 I CA -0.247 61.077 61.300 0.039 0.000 1.365 63 I CB 0.487 38.513 38.000 0.043 0.000 1.407 63 I HN -0.081 nan 8.210 nan 0.000 0.509 64 T N 7.006 121.597 114.554 0.062 0.000 2.733 64 T HA 0.217 4.567 4.350 0.000 0.000 0.294 64 T C -0.117 174.646 174.700 0.105 0.000 0.956 64 T CA -0.033 62.129 62.100 0.102 0.000 0.987 64 T CB -0.082 68.878 68.868 0.154 0.000 0.920 64 T HN 0.583 nan 8.240 nan 0.000 0.470 65 H N 4.816 123.875 119.070 -0.019 0.000 2.741 65 H HA 0.262 4.818 4.556 0.000 0.000 0.282 65 H C -0.177 175.119 175.328 -0.054 0.000 1.122 65 H CA -1.086 54.922 56.048 -0.066 0.000 1.293 65 H CB 0.302 30.012 29.762 -0.086 0.000 1.415 65 H HN 0.389 nan 8.280 nan 0.000 0.472 66 I N 6.087 126.637 120.570 -0.033 0.000 2.329 66 I HA 0.045 4.216 4.170 0.000 0.000 0.295 66 I C 0.396 176.337 176.117 -0.293 0.000 1.109 66 I CA 0.123 61.351 61.300 -0.120 0.000 1.297 66 I CB 0.071 38.001 38.000 -0.117 0.000 1.433 66 I HN 0.499 nan 8.210 nan 0.000 0.509 67 K N 5.001 125.180 120.400 -0.369 0.000 2.098 67 K HA 0.172 4.492 4.320 0.000 0.000 0.257 67 K C 0.165 176.640 176.600 -0.209 0.000 0.999 67 K CA -0.690 55.345 56.287 -0.420 0.000 0.924 67 K CB 0.792 33.033 32.500 -0.432 0.000 1.028 67 K HN 0.437 nan 8.250 nan 0.000 0.466 68 D N 1.531 121.833 120.400 -0.164 0.000 2.701 68 D HA -0.205 4.435 4.640 0.000 0.000 0.235 68 D C -0.363 175.895 176.300 -0.071 0.000 1.155 68 D CA 1.236 55.181 54.000 -0.091 0.000 0.649 68 D CB -0.391 40.367 40.800 -0.070 0.000 1.050 68 D HN 0.385 nan 8.370 nan 0.000 0.425 69 R N -0.498 119.950 120.500 -0.087 0.000 2.855 69 R HA 0.660 5.000 4.340 0.000 0.000 0.266 69 R C 0.125 176.380 176.300 -0.075 0.000 1.034 69 R CA -0.840 55.220 56.100 -0.066 0.000 0.944 69 R CB 1.326 31.587 30.300 -0.065 0.000 1.219 69 R HN -0.020 nan 8.270 nan 0.000 0.474 70 I N 2.687 123.227 120.570 -0.050 0.000 2.382 70 I HA 0.376 4.546 4.170 0.000 0.000 0.285 70 I C 0.031 176.130 176.117 -0.029 0.000 1.007 70 I CA -0.548 60.732 61.300 -0.032 0.000 1.142 70 I CB 1.224 39.201 38.000 -0.037 0.000 1.289 70 I HN 0.289 nan 8.210 nan 0.000 0.453 71 I N 7.558 128.056 120.570 -0.120 0.000 2.352 71 I HA 0.270 4.440 4.170 0.000 0.000 0.290 71 I C 0.208 176.507 176.117 0.304 0.000 1.036 71 I CA -0.493 60.764 61.300 -0.072 0.000 1.336 71 I CB 0.855 38.481 38.000 -0.623 0.000 1.407 71 I HN 0.323 nan 8.210 nan 0.000 0.497 72 V N 4.352 124.496 119.914 0.384 0.000 3.074 72 V HA 0.694 4.814 4.120 0.000 0.000 0.314 72 V C -2.814 173.531 176.094 0.419 0.000 1.117 72 V CA -2.812 59.760 62.300 0.453 0.000 1.014 72 V CB 1.632 33.645 31.823 0.316 0.000 1.057 72 V HN 0.390 nan 8.190 nan 0.000 0.438 73 P HA 0.259 nan 4.420 nan 0.000 0.269 73 P C 0.291 177.633 177.300 0.071 0.000 1.215 73 P CA 0.608 63.701 63.100 -0.012 0.000 0.780 73 P CB 0.335 31.880 31.700 -0.258 0.000 0.898 74 G N 1.977 110.817 108.800 0.066 0.000 2.380 74 G HA2 0.153 4.114 3.960 0.000 0.000 0.242 74 G HA3 0.153 4.114 3.960 0.000 0.000 0.242 74 G C -0.531 174.394 174.900 0.041 0.000 1.298 74 G CA -0.257 44.806 45.100 -0.060 0.000 0.878 74 G HN 0.228 nan 8.290 nan 0.000 0.542 75 F N 1.593 121.593 119.950 0.085 0.000 2.529 75 F HA 0.225 4.752 4.527 0.000 0.000 0.365 75 F C 0.933 176.734 175.800 0.002 0.000 1.102 75 F CA -1.099 56.930 58.000 0.049 0.000 1.271 75 F CB 0.487 39.522 39.000 0.057 0.000 1.120 75 F HN 0.134 nan 8.300 nan 0.000 0.579 76 I N 3.247 123.922 120.570 0.174 0.000 2.331 76 I HA 0.165 4.335 4.170 0.000 0.000 0.292 76 I C -0.096 176.043 176.117 0.036 0.000 0.998 76 I CA -0.446 60.888 61.300 0.058 0.000 1.267 76 I CB 1.310 39.306 38.000 -0.006 0.000 1.386 76 I HN 0.461 nan 8.210 nan 0.000 0.476 77 D N 5.315 125.729 120.400 0.023 0.000 2.453 77 D HA 0.293 4.934 4.640 0.000 0.000 0.238 77 D C 0.770 177.070 176.300 0.000 0.000 1.088 77 D CA -0.401 53.607 54.000 0.013 0.000 0.854 77 D CB 1.855 42.660 40.800 0.008 0.000 1.076 77 D HN 0.749 nan 8.370 nan 0.000 0.533 78 G N 2.051 110.860 108.800 0.015 0.000 3.262 78 G HA2 -0.026 3.934 3.960 0.000 0.000 0.228 78 G HA3 -0.026 3.934 3.960 0.000 0.000 0.228 78 G C 0.325 175.260 174.900 0.058 0.000 1.197 78 G CA -0.036 45.070 45.100 0.010 0.000 0.819 78 G HN 0.657 nan 8.290 nan 0.000 0.531 79 H N -0.831 118.202 119.070 -0.062 0.000 3.124 79 H HA 0.339 4.895 4.556 0.000 0.000 0.328 79 H C -1.199 174.129 175.328 0.001 0.000 1.478 79 H CA -0.842 55.191 56.048 -0.025 0.000 1.627 79 H CB -0.005 29.721 29.762 -0.059 0.000 2.050 79 H HN 0.100 nan 8.280 nan 0.000 0.641 80 I N 0.396 120.962 120.570 -0.007 0.000 2.892 80 I HA 0.383 4.553 4.170 0.000 0.000 0.306 80 I C -0.310 175.792 176.117 -0.025 0.000 1.078 80 I CA -0.794 60.547 61.300 0.069 0.000 1.032 80 I CB 1.726 39.849 38.000 0.206 0.000 1.229 80 I HN 0.470 nan 8.210 nan 0.000 0.435 81 H N 3.785 122.914 119.070 0.098 0.000 2.718 81 H HA 0.268 4.825 4.556 0.000 0.000 0.295 81 H C 0.717 175.941 175.328 -0.174 0.000 1.051 81 H CA -0.523 55.527 56.048 0.003 0.000 1.260 81 H CB 2.007 31.762 29.762 -0.012 0.000 1.403 81 H HN 0.742 nan 8.280 nan 0.000 0.488 82 L N 6.854 127.829 121.223 -0.413 0.000 1.997 82 L HA -0.090 4.251 4.340 0.000 0.000 0.216 82 L C -0.864 175.693 176.870 -0.522 0.000 1.074 82 L CA 1.906 56.183 54.840 -0.938 0.000 0.763 82 L CB -1.139 40.317 42.059 -1.005 0.000 0.890 82 L HN 0.396 nan 8.230 nan 0.000 0.434 83 P HA -0.138 nan 4.420 nan 0.000 0.239 83 P C 0.735 177.857 177.300 -0.296 0.000 1.184 83 P CA 1.139 63.693 63.100 -0.910 0.000 0.760 83 P CB -0.062 31.078 31.700 -0.934 0.000 0.884 84 Q N -1.486 118.250 119.800 -0.106 0.000 2.247 84 Q HA 0.093 4.433 4.340 0.000 0.000 0.211 84 Q C 1.498 177.574 176.000 0.128 0.000 0.861 84 Q CA 0.151 55.951 55.803 -0.005 0.000 0.949 84 Q CB -0.106 28.611 28.738 -0.035 0.000 1.115 84 Q HN 0.120 nan 8.270 nan 0.000 0.507 85 T N 0.812 115.502 114.554 0.227 0.000 2.760 85 T HA -0.225 4.126 4.350 0.000 0.000 0.269 85 T C 1.609 176.496 174.700 0.311 0.000 1.047 85 T CA 1.396 63.748 62.100 0.419 0.000 1.139 85 T CB -0.058 69.091 68.868 0.469 0.000 0.855 85 T HN 0.251 nan 8.240 nan 0.000 0.471 86 R N 0.937 121.575 120.500 0.230 0.000 2.312 86 R HA 0.110 4.450 4.340 0.000 0.000 0.205 86 R C 0.877 177.262 176.300 0.141 0.000 0.904 86 R CA 0.287 56.493 56.100 0.177 0.000 1.052 86 R CB 0.463 30.874 30.300 0.186 0.000 1.014 86 R HN 0.384 nan 8.270 nan 0.000 0.503 87 V N 0.051 120.039 119.914 0.124 0.000 2.804 87 V HA 0.198 4.318 4.120 0.000 0.000 0.360 87 V C 0.334 176.486 176.094 0.097 0.000 1.282 87 V CA -0.553 61.802 62.300 0.092 0.000 1.274 87 V CB 0.523 32.368 31.823 0.037 0.000 1.415 87 V HN 0.022 nan 8.190 nan 0.000 0.610 88 L N -0.985 120.287 121.223 0.082 0.000 2.693 88 L HA 0.670 5.010 4.340 0.000 0.000 0.242 88 L C 1.096 177.886 176.870 -0.133 0.000 1.157 88 L CA 0.755 55.591 54.840 -0.007 0.000 0.929 88 L CB -1.361 40.690 42.059 -0.014 0.000 1.103 88 L HN 0.363 nan 8.230 nan 0.000 0.430 89 G N -0.853 107.952 108.800 0.007 0.000 4.867 89 G HA2 0.519 4.480 3.960 0.000 0.000 0.258 89 G HA3 0.519 4.480 3.960 0.000 0.000 0.258 89 G C 0.183 175.283 174.900 0.333 0.000 0.999 89 G CA 0.146 45.279 45.100 0.055 0.000 0.797 89 G HN 0.529 nan 8.290 nan 0.000 0.505 90 A N 0.569 123.626 122.820 0.395 0.000 2.546 90 A HA 0.439 4.760 4.320 0.000 0.000 0.243 90 A C -0.254 177.611 177.584 0.467 0.000 1.063 90 A CA -0.056 52.244 52.037 0.440 0.000 0.757 90 A CB 0.175 19.501 19.000 0.544 0.000 0.991 90 A HN 0.707 nan 8.150 nan 0.000 0.503 91 Y N 1.973 122.402 120.300 0.216 0.000 2.301 91 Y HA 0.445 4.995 4.550 0.000 0.000 0.325 91 Y C 1.311 177.237 175.900 0.043 0.000 1.203 91 Y CA 0.301 58.460 58.100 0.099 0.000 1.255 91 Y CB 0.951 39.451 38.460 0.067 0.000 1.232 91 Y HN 1.461 nan 8.280 nan 0.000 0.501 92 G N 2.888 110.892 108.800 -1.328 0.000 2.196 92 G HA2 -0.235 3.725 3.960 0.000 0.000 0.268 92 G HA3 -0.235 3.725 3.960 0.000 0.000 0.268 92 G C -0.113 174.487 174.900 -0.500 0.000 0.975 92 G CA 0.578 44.977 45.100 -1.169 0.000 0.648 92 G HN 0.569 nan 8.290 nan 0.000 0.538 93 E N -0.069 119.948 120.200 -0.305 0.000 2.277 93 E HA 0.502 4.852 4.350 0.000 0.000 0.266 93 E C 0.382 176.867 176.600 -0.191 0.000 0.901 93 E CA -0.646 55.659 56.400 -0.159 0.000 0.782 93 E CB 1.130 30.843 29.700 0.020 0.000 1.228 93 E HN 0.518 nan 8.360 nan 0.000 0.424 94 Q N 1.027 120.745 119.800 -0.138 0.000 2.308 94 Q HA 0.231 4.571 4.340 0.000 0.000 0.207 94 Q C 1.448 177.395 176.000 -0.089 0.000 1.035 94 Q CA -0.382 55.327 55.803 -0.158 0.000 1.008 94 Q CB 1.002 29.672 28.738 -0.114 0.000 1.168 94 Q HN 0.494 nan 8.270 nan 0.000 0.565 95 L N 0.502 121.654 121.223 -0.119 0.000 2.013 95 L HA -0.360 3.981 4.340 0.000 0.000 0.239 95 L C 2.026 178.985 176.870 0.149 0.000 1.100 95 L CA 1.805 56.635 54.840 -0.017 0.000 0.826 95 L CB -0.615 41.397 42.059 -0.079 0.000 0.921 95 L HN 0.697 nan 8.230 nan 0.000 0.445 96 L N 0.066 121.326 121.223 0.061 0.000 1.956 96 L HA -0.201 4.140 4.340 0.000 0.000 0.216 96 L C -0.097 176.840 176.870 0.112 0.000 1.073 96 L CA 2.026 56.923 54.840 0.095 0.000 0.762 96 L CB -2.470 39.608 42.059 0.032 0.000 0.889 96 L HN 0.371 nan 8.230 nan 0.000 0.433 97 P HA -0.234 nan 4.420 nan 0.000 0.220 97 P C 1.342 178.693 177.300 0.085 0.000 1.148 97 P CA 1.521 64.665 63.100 0.072 0.000 0.803 97 P CB -0.193 31.530 31.700 0.039 0.000 0.782 98 W N 1.231 122.466 121.300 -0.109 0.000 2.381 98 W HA -0.094 4.566 4.660 0.000 0.000 0.301 98 W C 2.142 178.537 176.519 -0.207 0.000 1.205 98 W CA 1.008 58.271 57.345 -0.136 0.000 1.285 98 W CB -1.042 28.338 29.460 -0.133 0.000 1.133 98 W HN -0.259 nan 8.180 nan 0.000 0.521 99 L N 0.515 121.534 121.223 -0.341 0.000 2.012 99 L HA -0.284 4.056 4.340 0.000 0.000 0.210 99 L C 2.697 179.120 176.870 -0.744 0.000 1.073 99 L CA 1.782 56.095 54.840 -0.878 0.000 0.748 99 L CB -1.075 40.616 42.059 -0.613 0.000 0.891 99 L HN 0.039 nan 8.230 nan 0.000 0.431 100 Q N -0.002 119.673 119.800 -0.209 0.000 2.050 100 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 100 Q C 2.198 178.151 176.000 -0.079 0.000 0.980 100 Q CA 1.753 57.568 55.803 0.020 0.000 0.840 100 Q CB -0.115 28.679 28.738 0.093 0.000 0.898 100 Q HN 0.271 nan 8.270 nan 0.000 0.424 101 K N -1.182 119.149 120.400 -0.115 0.000 2.031 101 K HA -0.017 4.303 4.320 0.000 0.000 0.205 101 K C 1.409 177.913 176.600 -0.160 0.000 1.049 101 K CA 1.602 57.833 56.287 -0.094 0.000 0.939 101 K CB 0.113 32.594 32.500 -0.032 0.000 0.717 101 K HN 0.119 nan 8.250 nan 0.000 0.438 102 S N -0.478 115.030 115.700 -0.321 0.000 2.524 102 S HA 0.120 4.590 4.470 0.000 0.000 0.222 102 S C 1.439 175.746 174.600 -0.487 0.000 1.040 102 S CA -0.254 57.744 58.200 -0.337 0.000 0.915 102 S CB 0.250 63.302 63.200 -0.246 0.000 0.831 102 S HN 0.091 nan 8.310 nan 0.000 0.492 103 I N 1.096 121.184 120.570 -0.802 0.000 2.385 103 I HA 0.142 4.312 4.170 0.000 0.000 0.244 103 I C 1.773 177.518 176.117 -0.620 0.000 1.089 103 I CA 0.831 61.630 61.300 -0.836 0.000 1.410 103 I CB -0.907 36.303 38.000 -1.316 0.000 1.117 103 I HN 0.254 nan 8.210 nan 0.000 0.429 104 Y N 1.361 121.332 120.300 -0.548 0.000 2.165 104 Y HA -0.157 4.393 4.550 0.000 0.000 0.286 104 Y C -0.262 175.374 175.900 -0.439 0.000 1.155 104 Y CA 0.912 58.612 58.100 -0.666 0.000 1.164 104 Y CB -2.036 36.059 38.460 -0.609 0.000 0.978 104 Y HN 0.230 nan 8.280 nan 0.000 0.513 105 P HA -0.190 nan 4.420 nan 0.000 0.221 105 P C 0.923 178.177 177.300 -0.077 0.000 1.145 105 P CA 1.850 64.897 63.100 -0.088 0.000 0.795 105 P CB 0.173 31.829 31.700 -0.072 0.000 0.775 106 E N 0.788 120.932 120.200 -0.094 0.000 2.127 106 E HA -0.077 4.273 4.350 0.000 0.000 0.191 106 E C 1.995 178.653 176.600 0.097 0.000 0.964 106 E CA 0.780 57.178 56.400 -0.003 0.000 0.832 106 E CB -0.571 29.132 29.700 0.005 0.000 0.790 106 E HN 0.128 nan 8.360 nan 0.000 0.465 107 E N 0.342 120.537 120.200 -0.010 0.000 2.265 107 E HA -0.129 4.221 4.350 0.000 0.000 0.196 107 E C 2.039 178.816 176.600 0.295 0.000 0.996 107 E CA 0.818 57.264 56.400 0.078 0.000 0.832 107 E CB -0.145 29.518 29.700 -0.061 0.000 0.756 107 E HN 0.388 nan 8.360 nan 0.000 0.491 108 I N 1.217 121.897 120.570 0.183 0.000 2.614 108 I HA -0.235 3.935 4.170 0.000 0.000 0.258 108 I C 1.648 177.867 176.117 0.169 0.000 1.189 108 I CA 0.999 62.463 61.300 0.272 0.000 1.462 108 I CB 0.109 38.213 38.000 0.173 0.000 1.092 108 I HN -0.020 nan 8.210 nan 0.000 0.442 109 K N -0.142 120.306 120.400 0.081 0.000 2.283 109 K HA -0.160 4.160 4.320 0.000 0.000 0.202 109 K C 1.342 177.905 176.600 -0.061 0.000 1.048 109 K CA 1.097 57.279 56.287 -0.175 0.000 0.948 109 K CB -0.187 31.898 32.500 -0.691 0.000 0.742 109 K HN 0.327 nan 8.250 nan 0.000 0.458 110 Y N 1.532 121.885 120.300 0.087 0.000 2.632 110 Y HA -0.038 4.512 4.550 0.000 0.000 0.301 110 Y C 1.800 177.767 175.900 0.112 0.000 1.172 110 Y CA 0.536 58.734 58.100 0.163 0.000 1.328 110 Y CB -0.206 38.352 38.460 0.164 0.000 1.016 110 Y HN -0.032 nan 8.280 nan 0.000 0.529 111 K N 0.016 120.524 120.400 0.180 0.000 2.097 111 K HA -0.128 4.192 4.320 0.000 0.000 0.205 111 K C 0.639 177.288 176.600 0.080 0.000 1.050 111 K CA 0.768 57.127 56.287 0.119 0.000 0.938 111 K CB -0.061 32.492 32.500 0.088 0.000 0.718 111 K HN 0.162 nan 8.250 nan 0.000 0.442 112 D N 0.830 121.260 120.400 0.051 0.000 2.343 112 D HA -0.040 4.600 4.640 0.000 0.000 0.255 112 D C 0.697 177.030 176.300 0.054 0.000 1.187 112 D CA 0.206 54.228 54.000 0.037 0.000 0.875 112 D CB 0.990 41.793 40.800 0.006 0.000 1.136 112 D HN 0.020 nan 8.370 nan 0.000 0.469 113 R N 3.799 124.330 120.500 0.051 0.000 2.152 113 R HA -0.110 4.230 4.340 0.000 0.000 0.232 113 R C 1.365 177.685 176.300 0.034 0.000 1.117 113 R CA 0.824 56.954 56.100 0.050 0.000 0.981 113 R CB 0.168 30.497 30.300 0.048 0.000 0.870 113 R HN 0.498 nan 8.270 nan 0.000 0.451 114 N N -0.273 118.448 118.700 0.034 0.000 2.106 114 N HA -0.204 4.536 4.740 0.000 0.000 0.188 114 N C 1.518 177.027 175.510 -0.002 0.000 1.029 114 N CA 1.188 54.250 53.050 0.020 0.000 0.848 114 N CB -0.374 38.130 38.487 0.029 0.000 1.007 114 N HN 0.258 nan 8.380 nan 0.000 0.423 115 Y N 1.890 122.109 120.300 -0.134 0.000 2.181 115 Y HA -0.119 4.431 4.550 0.000 0.000 0.288 115 Y C 2.419 178.099 175.900 -0.368 0.000 1.146 115 Y CA 1.531 59.485 58.100 -0.243 0.000 1.164 115 Y CB -0.359 37.924 38.460 -0.295 0.000 0.982 115 Y HN 0.058 nan 8.280 nan 0.000 0.515 116 A N 0.375 123.106 122.820 -0.148 0.000 1.908 116 A HA -0.244 4.076 4.320 0.000 0.000 0.218 116 A C 2.352 179.915 177.584 -0.035 0.000 1.181 116 A CA 1.920 53.897 52.037 -0.100 0.000 0.627 116 A CB -0.821 18.242 19.000 0.105 0.000 0.818 116 A HN 0.522 nan 8.150 nan 0.000 0.445 117 R N -0.520 119.959 120.500 -0.034 0.000 2.096 117 R HA -0.146 4.195 4.340 0.000 0.000 0.235 117 R C 2.169 178.437 176.300 -0.053 0.000 1.127 117 R CA 1.667 57.756 56.100 -0.019 0.000 0.968 117 R CB -0.245 30.049 30.300 -0.009 0.000 0.861 117 R HN 0.690 nan 8.270 nan 0.000 0.440 118 E N -0.915 119.207 120.200 -0.130 0.000 2.072 118 E HA -0.104 4.246 4.350 0.000 0.000 0.190 118 E C 1.787 178.298 176.600 -0.148 0.000 0.982 118 E CA 1.091 57.395 56.400 -0.160 0.000 0.803 118 E CB -0.107 29.444 29.700 -0.248 0.000 0.755 118 E HN 0.555 nan 8.360 nan 0.000 0.453 119 G N 0.758 109.437 108.800 -0.201 0.000 2.421 119 G HA2 -0.233 3.728 3.960 0.000 0.000 0.216 119 G HA3 -0.233 3.728 3.960 0.000 0.000 0.216 119 G C 1.687 176.671 174.900 0.139 0.000 1.171 119 G CA 0.886 45.983 45.100 -0.004 0.000 0.775 119 G HN 0.192 nan 8.290 nan 0.000 0.543 120 V N 0.988 120.976 119.914 0.124 0.000 2.392 120 V HA -0.207 3.913 4.120 0.000 0.000 0.249 120 V C 2.711 178.892 176.094 0.144 0.000 1.059 120 V CA 2.295 64.678 62.300 0.138 0.000 1.051 120 V CB -0.373 31.494 31.823 0.073 0.000 0.658 120 V HN 0.438 nan 8.190 nan 0.000 0.455 121 K N 0.230 120.667 120.400 0.061 0.000 2.001 121 K HA -0.177 4.144 4.320 0.000 0.000 0.208 121 K C 2.401 179.008 176.600 0.011 0.000 1.048 121 K CA 1.562 57.863 56.287 0.022 0.000 0.932 121 K CB -0.109 32.383 32.500 -0.015 0.000 0.715 121 K HN 0.354 nan 8.250 nan 0.000 0.437 122 R N -0.485 120.021 120.500 0.009 0.000 2.115 122 R HA -0.105 4.236 4.340 0.000 0.000 0.230 122 R C 2.264 178.548 176.300 -0.027 0.000 1.111 122 R CA 1.328 57.408 56.100 -0.034 0.000 0.976 122 R CB -0.374 29.904 30.300 -0.036 0.000 0.870 122 R HN 0.223 nan 8.270 nan 0.000 0.445 123 F N 1.436 121.357 119.950 -0.049 0.000 2.075 123 F HA -0.155 4.373 4.527 0.000 0.000 0.297 123 F C 1.766 177.549 175.800 -0.027 0.000 1.113 123 F CA 1.508 59.520 58.000 0.020 0.000 1.218 123 F CB -0.245 38.813 39.000 0.098 0.000 0.984 123 F HN -0.121 nan 8.300 nan 0.000 0.472 124 L N -0.142 121.061 121.223 -0.032 0.000 2.141 124 L HA -0.175 4.165 4.340 0.000 0.000 0.209 124 L C 2.060 178.803 176.870 -0.211 0.000 1.094 124 L CA 1.114 55.856 54.840 -0.162 0.000 0.763 124 L CB -0.785 41.264 42.059 -0.016 0.000 0.908 124 L HN 0.105 nan 8.230 nan 0.000 0.437 125 D N 0.370 120.658 120.400 -0.187 0.000 2.097 125 D HA -0.136 4.504 4.640 0.000 0.000 0.197 125 D C 2.278 178.375 176.300 -0.338 0.000 0.984 125 D CA 1.487 55.357 54.000 -0.218 0.000 0.826 125 D CB -0.076 40.625 40.800 -0.164 0.000 0.973 125 D HN 0.265 nan 8.370 nan 0.000 0.460 126 A N 0.721 123.274 122.820 -0.446 0.000 1.908 126 A HA -0.137 4.183 4.320 0.000 0.000 0.218 126 A C 2.379 179.672 177.584 -0.485 0.000 1.181 126 A CA 0.963 52.611 52.037 -0.647 0.000 0.627 126 A CB -0.800 17.402 19.000 -1.330 0.000 0.818 126 A HN 0.211 nan 8.150 nan 0.000 0.445 127 L N -0.853 120.136 121.223 -0.390 0.000 2.046 127 L HA -0.164 4.176 4.340 0.000 0.000 0.208 127 L C 2.552 179.297 176.870 -0.209 0.000 1.077 127 L CA 1.043 55.756 54.840 -0.212 0.000 0.747 127 L CB -0.436 41.446 42.059 -0.294 0.000 0.896 127 L HN 0.395 nan 8.230 nan 0.000 0.432 128 L N -0.626 120.430 121.223 -0.278 0.000 2.072 128 L HA -0.114 4.226 4.340 0.000 0.000 0.205 128 L C 2.693 179.243 176.870 -0.533 0.000 1.079 128 L CA 0.974 55.636 54.840 -0.297 0.000 0.752 128 L CB -0.617 41.293 42.059 -0.249 0.000 0.906 128 L HN 0.195 nan 8.230 nan 0.000 0.436 129 A N -0.299 122.074 122.820 -0.745 0.000 2.172 129 A HA 0.068 4.389 4.320 0.000 0.000 0.216 129 A C 2.208 179.522 177.584 -0.449 0.000 1.154 129 A CA 1.339 52.721 52.037 -1.091 0.000 0.701 129 A CB -0.396 18.150 19.000 -0.757 0.000 0.789 129 A HN 0.391 nan 8.150 nan 0.000 0.465 130 A N -2.415 120.257 122.820 -0.248 0.000 2.252 130 A HA 0.462 4.782 4.320 0.000 0.000 0.213 130 A C 1.681 179.318 177.584 0.087 0.000 1.188 130 A CA 1.120 53.136 52.037 -0.036 0.000 0.863 130 A CB -0.267 18.750 19.000 0.029 0.000 0.893 130 A HN 1.681 nan 8.150 nan 0.000 0.495 131 G N -1.504 107.299 108.800 0.004 0.000 2.195 131 G HA2 -0.184 3.776 3.960 0.000 0.000 0.224 131 G HA3 -0.184 3.776 3.960 0.000 0.000 0.224 131 G C 0.323 175.212 174.900 -0.018 0.000 0.990 131 G CA 0.234 45.331 45.100 -0.006 0.000 0.639 131 G HN 0.556 nan 8.290 nan 0.000 0.514 132 T N 1.760 116.351 114.554 0.061 0.000 2.749 132 T HA 0.488 4.838 4.350 0.000 0.000 0.295 132 T C 1.532 176.217 174.700 -0.025 0.000 0.936 132 T CA 0.748 62.887 62.100 0.065 0.000 1.060 132 T CB 1.366 70.264 68.868 0.051 0.000 0.904 132 T HN 0.629 nan 8.240 nan 0.000 0.500 133 T N -0.350 114.196 114.554 -0.015 0.000 2.990 133 T HA 0.199 4.549 4.350 0.000 0.000 0.249 133 T C 0.675 175.364 174.700 -0.018 0.000 1.039 133 T CA -0.086 61.996 62.100 -0.029 0.000 1.036 133 T CB 0.373 69.228 68.868 -0.021 0.000 0.994 133 T HN 0.482 nan 8.240 nan 0.000 0.489 134 T N 2.067 116.618 114.554 -0.006 0.000 2.916 134 T HA 0.646 4.996 4.350 0.000 0.000 0.298 134 T C -0.690 173.995 174.700 -0.025 0.000 1.031 134 T CA -0.705 61.385 62.100 -0.018 0.000 0.993 134 T CB 1.643 70.504 68.868 -0.012 0.000 1.045 134 T HN 0.728 nan 8.240 nan 0.000 0.454 135 C N 2.048 121.321 119.300 -0.046 0.000 3.170 135 C HA 0.782 5.242 4.460 0.000 0.000 0.319 135 C C -1.060 173.866 174.990 -0.106 0.000 1.260 135 C CA -1.014 57.975 59.018 -0.050 0.000 1.374 135 C CB 1.204 28.936 27.740 -0.014 0.000 1.739 135 C HN 0.958 nan 8.230 nan 0.000 0.479 136 Q N 1.890 121.606 119.800 -0.140 0.000 2.400 136 Q HA 0.644 4.984 4.340 0.000 0.000 0.255 136 Q C -0.286 175.524 176.000 -0.318 0.000 1.008 136 Q CA -0.118 55.528 55.803 -0.261 0.000 0.841 136 Q CB 1.115 29.695 28.738 -0.263 0.000 1.220 136 Q HN 1.150 nan 8.270 nan 0.000 0.474 137 A N 4.033 126.644 122.820 -0.348 0.000 2.324 137 A HA 0.656 4.976 4.320 0.000 0.000 0.330 137 A C -1.228 176.034 177.584 -0.537 0.000 1.165 137 A CA -0.527 51.302 52.037 -0.346 0.000 0.813 137 A CB 0.552 19.429 19.000 -0.206 0.000 1.197 137 A HN 0.741 nan 8.150 nan 0.000 0.484 138 F N 1.050 120.743 119.950 -0.429 0.000 2.379 138 F HA 0.535 5.063 4.527 0.000 0.000 0.332 138 F C 1.408 177.064 175.800 -0.241 0.000 1.096 138 F CA 0.643 58.438 58.000 -0.341 0.000 1.105 138 F CB 2.143 40.862 39.000 -0.468 0.000 1.189 138 F HN 0.778 nan 8.300 nan 0.000 0.515 139 T N -1.994 112.578 114.554 0.030 0.000 2.633 139 T HA 0.656 5.006 4.350 0.000 0.000 0.262 139 T C 0.010 174.765 174.700 0.091 0.000 0.920 139 T CA -0.499 61.573 62.100 -0.047 0.000 1.062 139 T CB 0.934 69.737 68.868 -0.109 0.000 1.390 139 T HN 0.557 nan 8.240 nan 0.000 0.549 140 S N 0.105 115.850 115.700 0.075 0.000 2.690 140 S HA 0.418 4.888 4.470 0.000 0.000 0.285 140 S C 1.378 176.032 174.600 0.091 0.000 1.135 140 S CA -0.043 58.277 58.200 0.200 0.000 1.020 140 S CB 0.647 64.004 63.200 0.261 0.000 1.159 140 S HN 1.097 nan 8.310 nan 0.000 0.534 141 S N -0.382 115.241 115.700 -0.128 0.000 2.562 141 S HA 0.117 4.587 4.470 0.000 0.000 0.221 141 S C 0.790 175.354 174.600 -0.061 0.000 0.975 141 S CA 0.167 58.258 58.200 -0.183 0.000 0.918 141 S CB -0.540 62.318 63.200 -0.570 0.000 0.772 141 S HN 0.767 nan 8.310 nan 0.000 0.531 142 S N 2.232 117.925 115.700 -0.012 0.000 2.499 142 S HA 0.430 4.900 4.470 0.000 0.000 0.279 142 S C -2.018 172.628 174.600 0.077 0.000 1.219 142 S CA -1.633 56.592 58.200 0.041 0.000 1.062 142 S CB 1.133 64.377 63.200 0.073 0.000 0.978 142 S HN -0.027 nan 8.310 nan 0.000 0.489 143 P HA -0.103 nan 4.420 nan 0.000 0.221 143 P C 1.480 178.845 177.300 0.109 0.000 1.145 143 P CA 0.593 63.752 63.100 0.098 0.000 0.795 143 P CB 0.010 31.760 31.700 0.083 0.000 0.775 144 V N 0.746 120.721 119.914 0.102 0.000 2.220 144 V HA -0.346 3.774 4.120 0.000 0.000 0.250 144 V C 2.496 178.657 176.094 0.111 0.000 1.056 144 V CA 2.550 64.915 62.300 0.107 0.000 1.016 144 V CB -1.815 30.073 31.823 0.108 0.000 0.639 144 V HN 0.144 nan 8.190 nan 0.000 0.446 145 A N -0.573 122.330 122.820 0.138 0.000 1.917 145 A HA -0.290 4.030 4.320 0.000 0.000 0.219 145 A C 2.362 179.952 177.584 0.010 0.000 1.182 145 A CA 2.824 54.943 52.037 0.138 0.000 0.633 145 A CB -1.102 17.993 19.000 0.159 0.000 0.819 145 A HN 0.559 nan 8.150 nan 0.000 0.448 146 T N -0.216 114.338 114.554 -0.001 0.000 2.777 146 T HA -0.109 4.241 4.350 0.000 0.000 0.266 146 T C 1.759 176.417 174.700 -0.070 0.000 1.040 146 T CA 1.614 63.666 62.100 -0.082 0.000 1.141 146 T CB -0.237 68.663 68.868 0.052 0.000 0.868 146 T HN 0.697 nan 8.240 nan 0.000 0.444 147 E N 0.830 121.061 120.200 0.050 0.000 2.051 147 E HA -0.128 4.222 4.350 0.000 0.000 0.192 147 E C 2.449 179.059 176.600 0.018 0.000 0.991 147 E CA 0.830 57.272 56.400 0.070 0.000 0.799 147 E CB -0.056 29.767 29.700 0.205 0.000 0.748 147 E HN 0.329 nan 8.360 nan 0.000 0.449 148 E N 0.710 120.931 120.200 0.034 0.000 2.153 148 E HA -0.180 4.170 4.350 0.000 0.000 0.194 148 E C 2.133 178.725 176.600 -0.013 0.000 0.988 148 E CA 0.576 56.994 56.400 0.031 0.000 0.811 148 E CB -0.184 29.545 29.700 0.048 0.000 0.746 148 E HN 0.172 nan 8.360 nan 0.000 0.466 149 L N -0.245 120.920 121.223 -0.097 0.000 2.044 149 L HA -0.076 4.264 4.340 0.000 0.000 0.205 149 L C 2.111 178.877 176.870 -0.173 0.000 1.075 149 L CA 1.456 56.195 54.840 -0.169 0.000 0.747 149 L CB -0.583 41.274 42.059 -0.336 0.000 0.903 149 L HN -0.095 nan 8.230 nan 0.000 0.435 150 F N 0.617 120.421 119.950 -0.243 0.000 2.134 150 F HA -0.162 4.366 4.527 0.000 0.000 0.299 150 F C 2.528 178.244 175.800 -0.139 0.000 1.097 150 F CA 1.733 59.556 58.000 -0.295 0.000 1.264 150 F CB -0.611 37.915 39.000 -0.791 0.000 1.001 150 F HN 0.217 nan 8.300 nan 0.000 0.479 151 E N -0.501 119.757 120.200 0.097 0.000 2.072 151 E HA -0.227 4.124 4.350 0.000 0.000 0.191 151 E C 2.014 178.664 176.600 0.083 0.000 0.985 151 E CA 1.194 57.668 56.400 0.124 0.000 0.801 151 E CB -0.107 29.674 29.700 0.135 0.000 0.750 151 E HN 0.201 nan 8.360 nan 0.000 0.452 152 E N 0.618 120.851 120.200 0.055 0.000 2.208 152 E HA -0.067 4.283 4.350 0.000 0.000 0.193 152 E C 1.632 178.257 176.600 0.042 0.000 0.988 152 E CA 1.042 57.467 56.400 0.042 0.000 0.828 152 E CB -0.068 29.654 29.700 0.036 0.000 0.763 152 E HN 0.228 nan 8.360 nan 0.000 0.478 153 A N -0.296 122.554 122.820 0.051 0.000 1.968 153 A HA -0.065 4.255 4.320 0.000 0.000 0.217 153 A C 2.353 179.974 177.584 0.061 0.000 1.169 153 A CA 1.455 53.523 52.037 0.052 0.000 0.638 153 A CB -0.450 18.586 19.000 0.060 0.000 0.812 153 A HN 0.264 nan 8.150 nan 0.000 0.446 154 S N -0.195 115.554 115.700 0.080 0.000 2.368 154 S HA -0.130 4.340 4.470 0.000 0.000 0.224 154 S C 2.032 176.661 174.600 0.048 0.000 1.029 154 S CA 1.256 59.500 58.200 0.073 0.000 0.988 154 S CB -0.297 62.960 63.200 0.094 0.000 0.838 154 S HN 0.626 nan 8.310 nan 0.000 0.462 155 R N 1.072 121.598 120.500 0.042 0.000 2.127 155 R HA 0.011 4.351 4.340 0.000 0.000 0.238 155 R C 2.073 178.382 176.300 0.014 0.000 1.134 155 R CA 1.070 57.186 56.100 0.026 0.000 0.975 155 R CB -0.195 30.118 30.300 0.022 0.000 0.865 155 R HN 0.353 nan 8.270 nan 0.000 0.447 156 R N 0.257 120.764 120.500 0.013 0.000 2.300 156 R HA 0.097 4.437 4.340 0.000 0.000 0.199 156 R C 0.201 176.504 176.300 0.006 0.000 0.920 156 R CA -0.208 55.891 56.100 -0.002 0.000 1.046 156 R CB -0.303 29.990 30.300 -0.011 0.000 0.984 156 R HN 0.143 nan 8.270 nan 0.000 0.493 160 V N 5.683 125.583 119.914 -0.025 0.000 2.851 160 V HA 0.543 4.663 4.120 0.000 0.000 0.307 160 V C -0.558 175.477 176.094 -0.099 0.000 1.129 160 V CA -0.879 61.384 62.300 -0.062 0.000 0.932 160 V CB 2.296 34.094 31.823 -0.042 0.000 1.024 160 V HN 0.557 nan 8.190 nan 0.000 0.426 161 I N 3.514 123.955 120.570 -0.215 0.000 2.354 161 I HA 0.887 5.057 4.170 0.000 0.000 0.292 161 I C 0.304 176.216 176.117 -0.341 0.000 0.989 161 I CA -0.062 61.049 61.300 -0.315 0.000 1.188 161 I CB 1.071 38.785 38.000 -0.477 0.000 1.342 161 I HN 0.840 nan 8.210 nan 0.000 0.457 162 A N 4.140 126.763 122.820 -0.329 0.000 2.536 162 A HA 0.996 5.316 4.320 0.000 0.000 0.293 162 A C -0.551 176.709 177.584 -0.540 0.000 1.119 162 A CA -0.171 51.551 52.037 -0.525 0.000 0.654 162 A CB 1.879 20.391 19.000 -0.813 0.000 1.291 162 A HN 1.000 nan 8.150 nan 0.000 0.439 163 G N -1.394 107.080 108.800 -0.544 0.000 2.368 163 G HA2 0.600 4.561 3.960 0.000 0.000 0.293 163 G HA3 0.600 4.561 3.960 0.000 0.000 0.293 163 G C -1.725 173.090 174.900 -0.142 0.000 1.467 163 G CA -0.375 44.373 45.100 -0.587 0.000 0.804 163 G HN 1.742 nan 8.290 nan 0.000 0.535 164 L N 1.189 122.490 121.223 0.130 0.000 2.534 164 L HA 0.484 4.824 4.340 0.000 0.000 0.271 164 L C 0.764 177.821 176.870 0.313 0.000 1.178 164 L CA 0.307 55.268 54.840 0.202 0.000 0.907 164 L CB 0.394 42.565 42.059 0.186 0.000 1.164 164 L HN 0.432 nan 8.230 nan 0.000 0.482 165 T N 5.624 120.332 114.554 0.256 0.000 2.992 165 T HA 0.385 4.736 4.350 0.000 0.000 0.299 165 T C 0.556 175.419 174.700 0.272 0.000 1.027 165 T CA -0.083 62.198 62.100 0.303 0.000 1.001 165 T CB -0.069 68.993 68.868 0.324 0.000 1.005 165 T HN 0.879 nan 8.240 nan 0.000 0.599 166 G N 2.470 111.396 108.800 0.210 0.000 2.406 166 G HA2 0.487 4.447 3.960 0.000 0.000 0.251 166 G HA3 0.487 4.447 3.960 0.000 0.000 0.251 166 G C -0.597 174.242 174.900 -0.102 0.000 1.271 166 G CA -0.266 44.714 45.100 -0.200 0.000 0.859 166 G HN 0.666 nan 8.290 nan 0.000 0.540 167 I N 1.213 121.735 120.570 -0.080 0.000 2.512 167 I HA 0.382 4.553 4.170 0.000 0.000 0.287 167 I C -0.317 175.758 176.117 -0.071 0.000 1.069 167 I CA -0.810 60.498 61.300 0.015 0.000 1.056 167 I CB 2.236 40.323 38.000 0.146 0.000 1.229 167 I HN 0.480 nan 8.210 nan 0.000 0.429 168 D N 5.426 125.777 120.400 -0.082 0.000 2.566 168 D HA 0.243 4.883 4.640 0.000 0.000 0.253 168 D C 0.459 176.690 176.300 -0.116 0.000 0.992 168 D CA 0.979 54.916 54.000 -0.106 0.000 0.940 168 D CB 0.596 41.322 40.800 -0.122 0.000 1.095 168 D HN 0.551 nan 8.370 nan 0.000 0.480 169 R N -0.380 120.023 120.500 -0.161 0.000 2.943 169 R HA 0.428 4.768 4.340 0.000 0.000 0.246 169 R C 0.031 176.196 176.300 -0.226 0.000 1.201 169 R CA -0.745 55.229 56.100 -0.211 0.000 1.056 169 R CB 0.492 30.610 30.300 -0.305 0.000 1.243 169 R HN -0.146 nan 8.270 nan 0.000 0.498 170 N N -0.837 117.714 118.700 -0.250 0.000 2.716 170 N HA -0.223 4.517 4.740 0.000 0.000 0.250 170 N C -1.369 174.122 175.510 -0.032 0.000 1.033 170 N CA 1.430 54.368 53.050 -0.186 0.000 0.727 170 N CB -0.789 37.417 38.487 -0.468 0.000 0.950 170 N HN 0.680 nan 8.380 nan 0.000 0.541 171 A N -0.923 121.837 122.820 -0.101 0.000 2.606 171 A HA 0.722 5.042 4.320 0.000 0.000 0.293 171 A C -2.643 174.842 177.584 -0.165 0.000 1.082 171 A CA -1.187 50.698 52.037 -0.254 0.000 0.685 171 A CB 1.286 20.047 19.000 -0.399 0.000 1.284 171 A HN -0.085 nan 8.150 nan 0.000 0.408 172 P HA 0.187 nan 4.420 nan 0.000 0.266 172 P C 0.987 178.279 177.300 -0.014 0.000 1.186 172 P CA 0.859 63.923 63.100 -0.059 0.000 0.767 172 P CB 0.643 32.318 31.700 -0.042 0.000 0.820 173 A N 3.450 126.265 122.820 -0.008 0.000 1.930 173 A HA -0.176 4.144 4.320 0.000 0.000 0.217 173 A C 1.756 179.346 177.584 0.011 0.000 1.175 173 A CA 1.409 53.442 52.037 -0.007 0.000 0.627 173 A CB -0.836 18.159 19.000 -0.009 0.000 0.815 173 A HN 0.690 nan 8.150 nan 0.000 0.443 174 E N -1.382 118.839 120.200 0.035 0.000 2.418 174 E HA -0.126 4.224 4.350 0.000 0.000 0.197 174 E C 1.490 178.147 176.600 0.095 0.000 1.026 174 E CA 0.839 57.270 56.400 0.051 0.000 0.862 174 E CB -0.364 29.369 29.700 0.055 0.000 0.799 174 E HN 0.616 nan 8.360 nan 0.000 0.518 175 F N 2.189 122.098 119.950 -0.068 0.000 2.505 175 F HA 0.182 4.709 4.527 0.000 0.000 0.289 175 F C 1.026 176.784 175.800 -0.070 0.000 1.101 175 F CA -0.635 57.320 58.000 -0.075 0.000 1.446 175 F CB 0.241 39.148 39.000 -0.155 0.000 1.123 175 F HN -0.086 nan 8.300 nan 0.000 0.564 176 I N -0.140 120.362 120.570 -0.114 0.000 2.945 176 I HA 0.381 4.551 4.170 0.000 0.000 0.292 176 I C -0.803 175.227 176.117 -0.145 0.000 1.093 176 I CA -0.287 60.910 61.300 -0.172 0.000 1.336 176 I CB 0.452 38.400 38.000 -0.085 0.000 1.435 176 I HN -0.022 nan 8.210 nan 0.000 0.593 177 D N 1.488 121.820 120.400 -0.113 0.000 2.859 177 D HA 0.310 4.950 4.640 0.000 0.000 0.223 177 D C -0.947 175.353 176.300 0.001 0.000 1.218 177 D CA -0.333 53.639 54.000 -0.046 0.000 0.850 177 D CB 2.091 42.872 40.800 -0.030 0.000 1.656 177 D HN 0.778 nan 8.370 nan 0.000 0.484 178 T N 3.762 118.330 114.554 0.023 0.000 2.923 178 T HA 0.026 4.376 4.350 0.000 0.000 0.309 178 T C -1.535 173.226 174.700 0.102 0.000 1.059 178 T CA -0.336 61.791 62.100 0.045 0.000 1.133 178 T CB 0.712 69.609 68.868 0.048 0.000 1.053 178 T HN 0.333 nan 8.240 nan 0.000 0.530 179 P HA -0.069 nan 4.420 nan 0.000 0.216 179 P C 1.253 178.697 177.300 0.240 0.000 1.150 179 P CA 0.856 64.044 63.100 0.147 0.000 0.837 179 P CB 0.236 31.977 31.700 0.069 0.000 0.786 180 E N -0.559 119.740 120.200 0.164 0.000 2.017 180 E HA -0.168 4.182 4.350 0.000 0.000 0.193 180 E C 1.910 178.631 176.600 0.202 0.000 0.997 180 E CA 1.214 57.719 56.400 0.175 0.000 0.804 180 E CB -1.155 28.611 29.700 0.109 0.000 0.757 180 E HN 0.206 nan 8.360 nan 0.000 0.448 181 N N 0.007 118.798 118.700 0.151 0.000 2.149 181 N HA -0.176 4.564 4.740 0.000 0.000 0.188 181 N C 1.718 177.309 175.510 0.135 0.000 1.019 181 N CA 0.898 54.018 53.050 0.116 0.000 0.857 181 N CB -0.444 38.096 38.487 0.087 0.000 0.997 181 N HN 0.147 nan 8.380 nan 0.000 0.426 182 F N 1.169 121.164 119.950 0.074 0.000 2.095 182 F HA -0.248 4.279 4.527 0.000 0.000 0.298 182 F C 2.461 178.331 175.800 0.116 0.000 1.104 182 F CA 1.226 59.277 58.000 0.085 0.000 1.232 182 F CB -0.733 38.321 39.000 0.090 0.000 0.987 182 F HN 0.021 nan 8.300 nan 0.000 0.475 183 Y N 1.246 121.560 120.300 0.022 0.000 2.181 183 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 183 Y C 2.801 178.634 175.900 -0.111 0.000 1.146 183 Y CA 2.222 60.285 58.100 -0.063 0.000 1.164 183 Y CB -0.756 37.751 38.460 0.079 0.000 0.982 183 Y HN 0.089 nan 8.280 nan 0.000 0.515 184 R N 0.285 120.718 120.500 -0.112 0.000 2.082 184 R HA -0.186 4.154 4.340 0.000 0.000 0.234 184 R C 1.815 177.964 176.300 -0.252 0.000 1.136 184 R CA 2.263 58.252 56.100 -0.185 0.000 0.935 184 R CB -0.513 29.776 30.300 -0.019 0.000 0.842 184 R HN 0.364 nan 8.270 nan 0.000 0.430 185 D N -0.014 120.277 120.400 -0.183 0.000 2.117 185 D HA -0.107 4.533 4.640 0.000 0.000 0.197 185 D C 2.019 178.165 176.300 -0.257 0.000 0.987 185 D CA 1.452 55.353 54.000 -0.166 0.000 0.829 185 D CB -0.337 40.414 40.800 -0.081 0.000 0.961 185 D HN 0.187 nan 8.370 nan 0.000 0.460 186 S N 0.329 115.781 115.700 -0.413 0.000 2.383 186 S HA -0.173 4.298 4.470 0.000 0.000 0.229 186 S C 1.827 176.112 174.600 -0.526 0.000 1.030 186 S CA 1.168 59.101 58.200 -0.446 0.000 1.002 186 S CB -0.034 62.790 63.200 -0.627 0.000 0.829 186 S HN 0.097 nan 8.310 nan 0.000 0.467 187 K N 1.703 121.779 120.400 -0.540 0.000 2.057 187 K HA 0.007 4.327 4.320 0.000 0.000 0.207 187 K C 2.173 178.532 176.600 -0.401 0.000 1.049 187 K CA 1.187 57.165 56.287 -0.515 0.000 0.931 187 K CB -0.210 31.922 32.500 -0.615 0.000 0.714 187 K HN 0.246 nan 8.250 nan 0.000 0.440 188 R N 0.036 120.343 120.500 -0.323 0.000 2.066 188 R HA -0.042 4.298 4.340 0.000 0.000 0.232 188 R C 2.111 178.249 176.300 -0.270 0.000 1.131 188 R CA 1.498 57.454 56.100 -0.241 0.000 0.955 188 R CB -0.323 29.880 30.300 -0.163 0.000 0.851 188 R HN 0.178 nan 8.270 nan 0.000 0.432 189 L N 0.482 121.551 121.223 -0.257 0.000 2.083 189 L HA -0.163 4.177 4.340 0.000 0.000 0.209 189 L C 2.417 179.031 176.870 -0.426 0.000 1.083 189 L CA 1.119 55.862 54.840 -0.162 0.000 0.752 189 L CB -0.352 41.734 42.059 0.045 0.000 0.899 189 L HN 0.280 nan 8.230 nan 0.000 0.433 190 I N -0.162 119.946 120.570 -0.769 0.000 2.315 190 I HA -0.255 3.916 4.170 0.000 0.000 0.248 190 I C 2.797 178.671 176.117 -0.405 0.000 1.117 190 I CA 0.976 61.806 61.300 -0.783 0.000 1.404 190 I CB -0.419 36.995 38.000 -0.978 0.000 1.071 190 I HN 0.201 nan 8.210 nan 0.000 0.419 191 A N 0.401 123.003 122.820 -0.363 0.000 1.845 191 A HA -0.253 4.067 4.320 0.000 0.000 0.215 191 A C 2.268 179.679 177.584 -0.289 0.000 1.195 191 A CA 1.547 53.436 52.037 -0.247 0.000 0.616 191 A CB -0.713 18.160 19.000 -0.212 0.000 0.832 191 A HN 0.419 nan 8.150 nan 0.000 0.443 192 Q N -2.233 117.311 119.800 -0.427 0.000 2.170 192 Q HA -0.170 4.170 4.340 0.000 0.000 0.203 192 Q C 1.558 177.064 176.000 -0.823 0.000 0.976 192 Q CA 1.809 57.203 55.803 -0.682 0.000 0.858 192 Q CB -0.130 27.995 28.738 -1.023 0.000 0.907 192 Q HN 0.895 nan 8.270 nan 0.000 0.433 193 Y N -2.415 117.695 120.300 -0.317 0.000 2.638 193 Y HA 0.113 4.663 4.550 0.000 0.000 0.275 193 Y C 0.691 176.370 175.900 -0.368 0.000 1.122 193 Y CA -0.524 57.293 58.100 -0.472 0.000 1.266 193 Y CB -0.322 37.506 38.460 -1.053 0.000 1.317 193 Y HN 0.069 nan 8.280 nan 0.000 0.501 194 H N 2.373 121.335 119.070 -0.180 0.000 3.157 194 H HA 0.046 4.603 4.556 0.000 0.000 0.299 194 H C 0.351 175.666 175.328 -0.021 0.000 0.961 194 H CA 0.674 56.690 56.048 -0.054 0.000 1.428 194 H CB -0.072 29.685 29.762 -0.008 0.000 1.459 194 H HN 0.315 nan 8.280 nan 0.000 0.566 195 D N 2.243 122.292 120.400 -0.586 0.000 2.945 195 D HA -0.185 4.455 4.640 0.000 0.000 0.225 195 D C -0.914 175.280 176.300 -0.177 0.000 1.158 195 D CA 0.735 54.494 54.000 -0.402 0.000 0.805 195 D CB -0.483 40.036 40.800 -0.468 0.000 1.098 195 D HN 0.443 nan 8.370 nan 0.000 0.426 196 K N 0.195 120.518 120.400 -0.130 0.000 2.316 196 K HA 0.591 4.911 4.320 0.000 0.000 0.267 196 K C 1.178 177.758 176.600 -0.033 0.000 1.025 196 K CA 0.134 56.378 56.287 -0.072 0.000 0.896 196 K CB 0.950 33.406 32.500 -0.073 0.000 1.124 196 K HN 0.320 nan 8.250 nan 0.000 0.451 197 G N 3.419 112.208 108.800 -0.018 0.000 2.527 197 G HA2 -0.361 3.599 3.960 0.000 0.000 0.268 197 G HA3 -0.361 3.599 3.960 0.000 0.000 0.268 197 G C 0.290 175.191 174.900 0.003 0.000 1.175 197 G CA -0.223 44.880 45.100 0.005 0.000 0.962 197 G HN 0.639 nan 8.290 nan 0.000 0.560 198 R N 0.998 121.510 120.500 0.020 0.000 2.388 198 R HA 0.175 4.515 4.340 0.000 0.000 0.247 198 R C 0.132 176.443 176.300 0.018 0.000 0.931 198 R CA -0.323 55.787 56.100 0.016 0.000 1.082 198 R CB -0.011 30.305 30.300 0.026 0.000 1.135 198 R HN 0.354 nan 8.270 nan 0.000 0.525 199 N N 1.546 120.265 118.700 0.032 0.000 2.497 199 N HA 0.190 4.930 4.740 0.000 0.000 0.271 199 N C -0.632 174.887 175.510 0.014 0.000 1.142 199 N CA 0.328 53.429 53.050 0.085 0.000 0.965 199 N CB 1.252 39.772 38.487 0.054 0.000 1.077 199 N HN 0.044 nan 8.380 nan 0.000 0.462 200 L N 2.296 123.569 121.223 0.083 0.000 2.385 200 L HA 0.376 4.716 4.340 0.000 0.000 0.273 200 L C -0.751 176.281 176.870 0.269 0.000 0.990 200 L CA -0.973 53.905 54.840 0.063 0.000 0.821 200 L CB 1.541 43.357 42.059 -0.406 0.000 1.279 200 L HN 0.429 nan 8.230 nan 0.000 0.412 201 Y N 2.152 122.715 120.300 0.438 0.000 2.334 201 Y HA 0.669 5.219 4.550 0.000 0.000 0.328 201 Y C -0.107 175.879 175.900 0.142 0.000 1.130 201 Y CA -0.510 57.739 58.100 0.249 0.000 1.163 201 Y CB 1.721 40.249 38.460 0.114 0.000 1.207 201 Y HN 0.587 nan 8.280 nan 0.000 0.471 202 A N 6.986 129.497 122.820 -0.514 0.000 2.335 202 A HA 0.529 4.849 4.320 0.000 0.000 0.304 202 A C -1.224 176.182 177.584 -0.297 0.000 1.118 202 A CA -0.782 51.119 52.037 -0.226 0.000 0.757 202 A CB 0.315 19.169 19.000 -0.242 0.000 1.188 202 A HN 0.625 nan 8.150 nan 0.000 0.460 203 I N 2.377 122.986 120.570 0.066 0.000 2.741 203 I HA 0.077 4.247 4.170 0.000 0.000 0.288 203 I C 0.194 176.393 176.117 0.136 0.000 1.192 203 I CA 0.967 62.396 61.300 0.216 0.000 1.426 203 I CB -0.078 38.086 38.000 0.273 0.000 1.367 203 I HN 0.552 nan 8.210 nan 0.000 0.563 204 T N 8.323 123.019 114.554 0.237 0.000 3.150 204 T HA 0.265 4.616 4.350 0.000 0.000 0.383 204 T C -2.408 172.444 174.700 0.254 0.000 1.313 204 T CA -1.098 61.102 62.100 0.165 0.000 1.235 204 T CB 1.109 69.982 68.868 0.008 0.000 1.088 204 T HN 0.424 nan 8.240 nan 0.000 0.556 205 P HA 0.275 nan 4.420 nan 0.000 0.286 205 P C 0.798 178.300 177.300 0.336 0.000 1.321 205 P CA -0.467 62.718 63.100 0.141 0.000 0.790 205 P CB 1.418 33.209 31.700 0.150 0.000 0.897 206 R N 4.180 124.924 120.500 0.407 0.000 2.168 206 R HA -0.180 4.160 4.340 0.000 0.000 0.242 206 R C 0.384 177.213 176.300 0.882 0.000 1.123 206 R CA 2.232 58.711 56.100 0.631 0.000 0.928 206 R CB -0.261 30.415 30.300 0.627 0.000 0.873 206 R HN 0.596 nan 8.270 nan 0.000 0.434 207 F N -5.643 114.581 119.950 0.457 0.000 2.704 207 F HA 0.525 5.052 4.527 0.000 0.000 0.312 207 F C 0.076 176.187 175.800 0.518 0.000 1.108 207 F CA -1.087 57.265 58.000 0.587 0.000 1.005 207 F CB 0.371 39.718 39.000 0.579 0.000 1.277 207 F HN -0.012 nan 8.300 nan 0.000 0.445 208 A N 2.385 125.496 122.820 0.485 0.000 1.929 208 A HA -0.254 4.066 4.320 0.000 0.000 0.221 208 A C 1.826 179.361 177.584 -0.083 0.000 1.211 208 A CA 2.508 54.605 52.037 0.100 0.000 0.657 208 A CB -1.331 17.571 19.000 -0.164 0.000 0.827 208 A HN 1.040 nan 8.150 nan 0.000 0.462 209 F N 0.831 120.482 119.950 -0.499 0.000 2.236 209 F HA -0.036 4.491 4.527 0.000 0.000 0.302 209 F C 1.863 177.241 175.800 -0.703 0.000 1.073 209 F CA 1.421 59.059 58.000 -0.603 0.000 1.336 209 F CB -0.341 38.358 39.000 -0.503 0.000 1.040 209 F HN 0.172 nan 8.300 nan 0.000 0.507 210 G N -0.708 107.425 108.800 -1.111 0.000 3.805 210 G HA2 0.497 4.457 3.960 0.000 0.000 0.290 210 G HA3 0.497 4.457 3.960 0.000 0.000 0.290 210 G C -0.641 174.111 174.900 -0.247 0.000 1.077 210 G CA 0.312 45.067 45.100 -0.574 0.000 0.852 210 G HN 0.502 nan 8.290 nan 0.000 0.531 211 A N 0.978 123.681 122.820 -0.196 0.000 2.410 211 A HA 0.691 5.011 4.320 0.000 0.000 0.289 211 A C 0.346 177.908 177.584 -0.037 0.000 1.200 211 A CA -0.288 51.700 52.037 -0.083 0.000 0.751 211 A CB 0.705 19.700 19.000 -0.008 0.000 1.161 211 A HN 0.761 nan 8.150 nan 0.000 0.459 212 S N 3.471 119.117 115.700 -0.089 0.000 2.584 212 S HA 0.307 4.778 4.470 0.000 0.000 0.270 212 S C -1.129 173.469 174.600 -0.004 0.000 1.346 212 S CA -0.308 57.852 58.200 -0.065 0.000 1.018 212 S CB 0.456 63.608 63.200 -0.080 0.000 0.899 212 S HN 0.512 nan 8.310 nan 0.000 0.542 213 P HA -0.091 nan 4.420 nan 0.000 0.223 213 P C 0.617 177.904 177.300 -0.022 0.000 1.144 213 P CA 1.156 64.321 63.100 0.109 0.000 0.783 213 P CB 0.019 31.892 31.700 0.289 0.000 0.771 214 E N -0.098 120.093 120.200 -0.015 0.000 2.072 214 E HA -0.096 4.254 4.350 0.000 0.000 0.190 214 E C 2.012 178.577 176.600 -0.058 0.000 0.982 214 E CA 0.505 56.898 56.400 -0.012 0.000 0.803 214 E CB -1.130 28.571 29.700 0.002 0.000 0.755 214 E HN 0.104 nan 8.360 nan 0.000 0.453 215 L N 0.554 121.721 121.223 -0.095 0.000 2.042 215 L HA -0.124 4.216 4.340 0.000 0.000 0.210 215 L C 1.832 178.595 176.870 -0.178 0.000 1.076 215 L CA 1.654 56.415 54.840 -0.133 0.000 0.749 215 L CB -0.295 41.645 42.059 -0.198 0.000 0.893 215 L HN 0.154 nan 8.230 nan 0.000 0.432 216 L N -0.819 120.206 121.223 -0.330 0.000 2.217 216 L HA -0.169 4.172 4.340 0.000 0.000 0.211 216 L C 2.547 179.061 176.870 -0.595 0.000 1.107 216 L CA 1.106 55.615 54.840 -0.552 0.000 0.783 216 L CB -0.492 40.938 42.059 -1.048 0.000 0.919 216 L HN 0.301 nan 8.230 nan 0.000 0.442 217 K N 0.362 120.498 120.400 -0.439 0.000 2.155 217 K HA -0.114 4.207 4.320 0.000 0.000 0.203 217 K C 2.130 178.767 176.600 0.062 0.000 1.052 217 K CA 1.014 57.293 56.287 -0.013 0.000 0.948 217 K CB 0.047 32.632 32.500 0.142 0.000 0.728 217 K HN 0.259 nan 8.250 nan 0.000 0.448 218 A N 0.585 123.438 122.820 0.056 0.000 1.898 218 A HA -0.152 4.169 4.320 0.000 0.000 0.216 218 A C 2.337 180.098 177.584 0.295 0.000 1.181 218 A CA 1.476 53.615 52.037 0.170 0.000 0.620 218 A CB -0.891 18.286 19.000 0.294 0.000 0.819 218 A HN 0.512 nan 8.150 nan 0.000 0.442 219 C N -0.827 118.639 119.300 0.277 0.000 2.425 219 C HA -0.117 4.343 4.460 0.000 0.000 0.277 219 C C 2.827 177.980 174.990 0.272 0.000 1.280 219 C CA 1.217 60.433 59.018 0.329 0.000 1.744 219 C CB -1.321 26.569 27.740 0.249 0.000 1.989 219 C HN 0.789 nan 8.230 nan 0.000 0.491 220 Q N 1.096 121.030 119.800 0.222 0.000 2.050 220 Q HA -0.264 4.076 4.340 0.000 0.000 0.202 220 Q C 2.424 178.568 176.000 0.240 0.000 0.980 220 Q CA 1.909 57.858 55.803 0.244 0.000 0.840 220 Q CB -0.240 28.673 28.738 0.291 0.000 0.898 220 Q HN 0.673 nan 8.270 nan 0.000 0.424 221 R N 0.131 120.760 120.500 0.216 0.000 2.083 221 R HA -0.151 4.189 4.340 0.000 0.000 0.237 221 R C 2.321 178.807 176.300 0.311 0.000 1.137 221 R CA 1.652 57.883 56.100 0.219 0.000 0.951 221 R CB -0.469 29.868 30.300 0.061 0.000 0.851 221 R HN 0.365 nan 8.270 nan 0.000 0.434 222 L N 0.634 122.082 121.223 0.374 0.000 2.012 222 L HA -0.210 4.130 4.340 0.000 0.000 0.210 222 L C 2.576 179.643 176.870 0.327 0.000 1.073 222 L CA 1.738 56.818 54.840 0.400 0.000 0.748 222 L CB -0.480 41.788 42.059 0.348 0.000 0.891 222 L HN 0.201 nan 8.230 nan 0.000 0.431 223 K N -0.686 119.882 120.400 0.281 0.000 2.209 223 K HA -0.233 4.087 4.320 0.000 0.000 0.204 223 K C 2.093 178.824 176.600 0.218 0.000 1.048 223 K CA 1.489 57.914 56.287 0.231 0.000 0.940 223 K CB -0.377 32.249 32.500 0.211 0.000 0.729 223 K HN 0.428 nan 8.250 nan 0.000 0.451 224 H N -0.206 118.934 119.070 0.117 0.000 2.403 224 H HA 0.021 4.578 4.556 0.000 0.000 0.298 224 H C 0.782 176.119 175.328 0.014 0.000 1.059 224 H CA 1.338 57.425 56.048 0.064 0.000 1.363 224 H CB 0.426 30.225 29.762 0.063 0.000 1.410 224 H HN 0.378 nan 8.280 nan 0.000 0.528 225 E N -0.367 119.755 120.200 -0.131 0.000 2.481 225 E HA -0.016 4.334 4.350 0.000 0.000 0.195 225 E C -0.161 176.072 176.600 -0.610 0.000 1.047 225 E CA 0.196 56.365 56.400 -0.385 0.000 0.867 225 E CB 0.401 29.944 29.700 -0.262 0.000 0.858 225 E HN 0.523 nan 8.360 nan 0.000 0.513 226 H N 0.011 119.072 119.070 -0.016 0.000 2.597 226 H HA 0.105 4.661 4.556 0.000 0.000 0.225 226 H C -1.923 173.401 175.328 -0.006 0.000 1.422 226 H CA -1.424 54.614 56.048 -0.017 0.000 1.335 226 H CB 0.799 30.540 29.762 -0.035 0.000 1.783 226 H HN 0.071 nan 8.280 nan 0.000 0.513 227 P HA -0.197 nan 4.420 nan 0.000 0.218 227 P C 1.059 178.361 177.300 0.002 0.000 1.146 227 P CA 1.322 64.441 63.100 0.031 0.000 0.820 227 P CB 0.598 32.304 31.700 0.011 0.000 0.778 228 D N -1.292 119.136 120.400 0.046 0.000 2.317 228 D HA -0.029 4.611 4.640 0.000 0.000 0.211 228 D C 0.267 176.587 176.300 0.033 0.000 0.966 228 D CA 0.109 54.148 54.000 0.065 0.000 0.876 228 D CB -0.226 40.730 40.800 0.258 0.000 0.927 228 D HN 0.094 nan 8.370 nan 0.000 0.519 229 C N 1.173 120.456 119.300 -0.029 0.000 2.652 229 C HA 0.129 4.589 4.460 0.000 0.000 0.412 229 C C 0.749 175.833 174.990 0.157 0.000 1.294 229 C CA -0.852 58.179 59.018 0.021 0.000 2.127 229 C CB -0.153 27.592 27.740 0.008 0.000 2.691 229 C HN 0.300 nan 8.230 nan 0.000 0.615 230 W N 1.055 122.352 121.300 -0.005 0.000 2.141 230 W HA 0.536 5.197 4.660 0.000 0.000 0.354 230 W C -0.676 175.838 176.519 -0.008 0.000 1.297 230 W CA -0.431 56.916 57.345 0.005 0.000 1.380 230 W CB 0.804 30.255 29.460 -0.015 0.000 1.168 230 W HN 0.256 nan 8.180 nan 0.000 0.639 231 V N 2.011 122.045 119.914 0.201 0.000 2.577 231 V HA 0.171 4.291 4.120 0.000 0.000 0.303 231 V C -0.631 175.392 176.094 -0.118 0.000 1.042 231 V CA -0.804 61.549 62.300 0.090 0.000 0.872 231 V CB 1.498 33.447 31.823 0.211 0.000 0.998 231 V HN 0.438 nan 8.190 nan 0.000 0.423 232 N N 2.570 121.147 118.700 -0.205 0.000 2.346 232 N HA 0.764 5.505 4.740 0.000 0.000 0.289 232 N C -0.736 174.617 175.510 -0.261 0.000 1.027 232 N CA -0.015 52.812 53.050 -0.372 0.000 0.864 232 N CB 2.371 40.524 38.487 -0.556 0.000 1.370 232 N HN 0.791 nan 8.380 nan 0.000 0.481 233 T N 1.077 115.485 114.554 -0.244 0.000 2.637 233 T HA 0.421 4.771 4.350 0.000 0.000 0.303 233 T C -1.821 172.813 174.700 -0.110 0.000 1.288 233 T CA -0.394 61.690 62.100 -0.027 0.000 1.040 233 T CB 0.135 68.916 68.868 -0.146 0.000 1.644 233 T HN 0.591 nan 8.240 nan 0.000 0.480 234 H N -0.028 119.231 119.070 0.315 0.000 2.569 234 H HA 0.837 5.393 4.556 0.000 0.000 0.357 234 H C -0.708 174.771 175.328 0.250 0.000 1.153 234 H CA -0.607 55.626 56.048 0.308 0.000 1.193 234 H CB 1.819 31.777 29.762 0.326 0.000 1.602 234 H HN 0.538 nan 8.280 nan 0.000 0.523 235 I N 0.733 121.397 120.570 0.157 0.000 2.649 235 I HA 0.161 4.331 4.170 0.000 0.000 0.289 235 I C -0.675 175.240 176.117 -0.337 0.000 1.222 235 I CA -0.261 60.829 61.300 -0.350 0.000 1.046 235 I CB 1.276 39.278 38.000 0.003 0.000 1.272 235 I HN 0.788 nan 8.210 nan 0.000 0.425 236 S N 4.045 119.335 115.700 -0.683 0.000 3.550 236 S HA -0.202 4.269 4.470 0.000 0.000 0.372 236 S C 0.972 175.701 174.600 0.216 0.000 0.966 236 S CA 1.404 59.615 58.200 0.019 0.000 1.229 236 S CB -1.113 62.136 63.200 0.082 0.000 0.917 236 S HN 0.921 nan 8.310 nan 0.000 0.496 237 E N 0.787 121.103 120.200 0.194 0.000 2.216 237 E HA 0.051 4.401 4.350 0.000 0.000 0.192 237 E C 0.518 177.248 176.600 0.217 0.000 0.973 237 E CA 0.558 57.039 56.400 0.136 0.000 0.851 237 E CB 0.281 29.908 29.700 -0.121 0.000 0.804 237 E HN 0.658 nan 8.360 nan 0.000 0.477 238 N N -0.438 118.369 118.700 0.179 0.000 2.229 238 N HA 0.182 4.922 4.740 0.000 0.000 0.298 238 N C -2.169 173.241 175.510 -0.166 0.000 1.114 238 N CA -1.820 51.267 53.050 0.063 0.000 0.776 238 N CB 2.279 40.748 38.487 -0.030 0.000 1.501 238 N HN -0.286 nan 8.380 nan 0.000 0.474 239 P HA -0.149 nan 4.420 nan 0.000 0.214 239 P C 0.792 177.939 177.300 -0.255 0.000 1.162 239 P CA 1.462 64.258 63.100 -0.508 0.000 0.879 239 P CB -0.024 31.388 31.700 -0.480 0.000 0.786 240 A N 0.581 123.285 122.820 -0.193 0.000 1.940 240 A HA -0.228 4.093 4.320 0.000 0.000 0.219 240 A C 2.423 179.870 177.584 -0.227 0.000 1.176 240 A CA 1.875 53.809 52.037 -0.171 0.000 0.631 240 A CB -1.478 17.437 19.000 -0.142 0.000 0.814 240 A HN 0.253 nan 8.150 nan 0.000 0.446 241 E N -0.491 119.580 120.200 -0.215 0.000 2.077 241 E HA -0.196 4.155 4.350 0.000 0.000 0.193 241 E C 1.995 178.523 176.600 -0.121 0.000 0.989 241 E CA 1.535 57.782 56.400 -0.254 0.000 0.800 241 E CB -0.264 29.427 29.700 -0.015 0.000 0.746 241 E HN 0.619 nan 8.360 nan 0.000 0.452 242 C N 0.410 119.698 119.300 -0.019 0.000 2.429 242 C HA -0.058 4.402 4.460 0.000 0.000 0.277 242 C C 3.024 177.978 174.990 -0.060 0.000 1.262 242 C CA 1.001 60.043 59.018 0.040 0.000 1.733 242 C CB -0.931 26.834 27.740 0.042 0.000 2.010 242 C HN 0.463 nan 8.230 nan 0.000 0.483 243 S N 0.654 116.297 115.700 -0.094 0.000 2.348 243 S HA -0.076 4.395 4.470 0.000 0.000 0.221 243 S C 2.131 176.698 174.600 -0.055 0.000 1.033 243 S CA 1.600 59.755 58.200 -0.075 0.000 1.010 243 S CB -0.854 62.297 63.200 -0.082 0.000 0.891 243 S HN 0.745 nan 8.310 nan 0.000 0.442 244 G N 1.505 110.256 108.800 -0.081 0.000 2.469 244 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 244 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 244 G C 1.474 176.465 174.900 0.151 0.000 1.150 244 G CA 1.155 46.291 45.100 0.061 0.000 0.763 244 G HN 0.410 nan 8.290 nan 0.000 0.561 245 V N 0.934 120.876 119.914 0.046 0.000 2.287 245 V HA -0.147 3.973 4.120 0.000 0.000 0.248 245 V C 2.843 178.914 176.094 -0.037 0.000 1.053 245 V CA 1.554 63.833 62.300 -0.035 0.000 1.027 245 V CB -0.381 31.155 31.823 -0.479 0.000 0.646 245 V HN 0.361 nan 8.190 nan 0.000 0.447 246 L N -0.733 120.455 121.223 -0.060 0.000 2.465 246 L HA -0.070 4.270 4.340 0.000 0.000 0.224 246 L C 2.154 179.016 176.870 -0.013 0.000 1.145 246 L CA 0.475 55.298 54.840 -0.029 0.000 0.834 246 L CB -0.278 41.762 42.059 -0.031 0.000 0.944 246 L HN 0.230 nan 8.230 nan 0.000 0.451 247 V N -0.951 118.955 119.914 -0.013 0.000 2.426 247 V HA -0.100 4.020 4.120 0.000 0.000 0.242 247 V C 2.239 178.290 176.094 -0.070 0.000 1.036 247 V CA 1.088 63.375 62.300 -0.022 0.000 1.044 247 V CB -0.215 31.610 31.823 0.004 0.000 0.688 247 V HN 0.345 nan 8.190 nan 0.000 0.462 248 E N -0.232 119.903 120.200 -0.109 0.000 2.338 248 E HA -0.109 4.242 4.350 0.000 0.000 0.197 248 E C 0.336 176.601 176.600 -0.559 0.000 1.007 248 E CA 0.798 57.008 56.400 -0.317 0.000 0.849 248 E CB -0.118 29.350 29.700 -0.387 0.000 0.774 248 E HN 0.644 nan 8.360 nan 0.000 0.506 249 H N -0.041 118.989 119.070 -0.067 0.000 2.429 249 H HA 0.137 4.693 4.556 0.000 0.000 0.231 249 H C -1.726 173.573 175.328 -0.049 0.000 1.416 249 H CA -1.529 54.485 56.048 -0.056 0.000 1.443 249 H CB 1.187 30.902 29.762 -0.077 0.000 1.591 249 H HN -0.002 nan 8.280 nan 0.000 0.507 250 P HA -0.127 nan 4.420 nan 0.000 0.222 250 P C 0.724 178.031 177.300 0.012 0.000 1.147 250 P CA 1.077 64.180 63.100 0.005 0.000 0.790 250 P CB 0.384 32.076 31.700 -0.014 0.000 0.780 251 D N -1.394 119.022 120.400 0.027 0.000 2.336 251 D HA 0.041 4.681 4.640 0.000 0.000 0.228 251 D C -0.166 176.132 176.300 -0.003 0.000 1.120 251 D CA -0.333 53.672 54.000 0.008 0.000 0.839 251 D CB -0.721 40.082 40.800 0.006 0.000 0.932 251 D HN 0.071 nan 8.370 nan 0.000 0.509 252 C N 1.154 120.457 119.300 0.005 0.000 2.563 252 C HA 0.256 4.716 4.460 0.000 0.000 0.314 252 C C 1.318 176.301 174.990 -0.012 0.000 1.199 252 C CA -0.646 58.362 59.018 -0.016 0.000 1.564 252 C CB 2.502 30.222 27.740 -0.034 0.000 2.173 252 C HN 0.148 nan 8.230 nan 0.000 0.485 253 Q N 1.528 121.320 119.800 -0.013 0.000 2.062 253 Q HA 0.045 4.386 4.340 0.000 0.000 0.196 253 Q C 0.171 176.175 176.000 0.006 0.000 0.967 253 Q CA 1.392 57.192 55.803 -0.004 0.000 0.832 253 Q CB -0.197 28.538 28.738 -0.005 0.000 0.899 253 Q HN 0.961 nan 8.270 nan 0.000 0.442 254 D N -2.796 117.613 120.400 0.016 0.000 2.552 254 D HA 0.121 4.762 4.640 0.000 0.000 0.239 254 D C 0.248 176.601 176.300 0.088 0.000 1.139 254 D CA -0.931 53.100 54.000 0.053 0.000 0.914 254 D CB 0.089 40.925 40.800 0.059 0.000 1.461 254 D HN -0.079 nan 8.370 nan 0.000 0.462 255 Y N -0.262 120.045 120.300 0.012 0.000 2.114 255 Y HA -0.260 4.290 4.550 0.000 0.000 0.282 255 Y C 2.017 177.913 175.900 -0.007 0.000 1.165 255 Y CA 1.165 59.272 58.100 0.011 0.000 1.148 255 Y CB 0.065 38.581 38.460 0.094 0.000 0.972 255 Y HN 0.388 nan 8.280 nan 0.000 0.504 256 L N 0.246 121.642 121.223 0.288 0.000 2.131 256 L HA -0.078 4.263 4.340 0.000 0.000 0.210 256 L C 2.356 179.303 176.870 0.127 0.000 1.092 256 L CA 2.048 57.029 54.840 0.235 0.000 0.759 256 L CB -1.112 41.023 42.059 0.126 0.000 0.903 256 L HN 0.241 nan 8.230 nan 0.000 0.435 257 G N -1.210 107.628 108.800 0.062 0.000 2.432 257 G HA2 -0.187 3.773 3.960 0.000 0.000 0.219 257 G HA3 -0.187 3.773 3.960 0.000 0.000 0.219 257 G C 1.505 176.384 174.900 -0.034 0.000 1.135 257 G CA 0.988 46.092 45.100 0.006 0.000 0.767 257 G HN 0.340 nan 8.290 nan 0.000 0.550 258 V N -0.014 119.837 119.914 -0.106 0.000 2.343 258 V HA -0.202 3.919 4.120 0.000 0.000 0.247 258 V C 2.407 178.472 176.094 -0.049 0.000 1.051 258 V CA 1.496 63.664 62.300 -0.219 0.000 1.036 258 V CB -0.723 30.779 31.823 -0.535 0.000 0.654 258 V HN 0.427 nan 8.190 nan 0.000 0.451 259 Y N 0.590 120.996 120.300 0.178 0.000 2.373 259 Y HA -0.062 4.489 4.550 0.000 0.000 0.293 259 Y C 2.486 178.459 175.900 0.121 0.000 1.129 259 Y CA 0.792 59.017 58.100 0.207 0.000 1.226 259 Y CB -0.534 38.041 38.460 0.191 0.000 1.000 259 Y HN 0.357 nan 8.280 nan 0.000 0.549 260 E N 0.278 120.567 120.200 0.148 0.000 2.152 260 E HA -0.177 4.173 4.350 0.000 0.000 0.192 260 E C 2.014 178.609 176.600 -0.008 0.000 0.983 260 E CA 0.701 57.126 56.400 0.041 0.000 0.818 260 E CB -0.088 29.609 29.700 -0.005 0.000 0.758 260 E HN 0.332 nan 8.360 nan 0.000 0.467 261 K N 0.389 120.745 120.400 -0.074 0.000 2.281 261 K HA -0.139 4.181 4.320 0.000 0.000 0.203 261 K C 0.356 176.643 176.600 -0.521 0.000 1.046 261 K CA 1.035 57.120 56.287 -0.336 0.000 0.938 261 K CB 0.061 32.263 32.500 -0.497 0.000 0.737 261 K HN 0.081 nan 8.250 nan 0.000 0.458 262 F N 1.082 121.053 119.950 0.035 0.000 2.735 262 F HA 0.202 4.730 4.527 0.000 0.000 0.304 262 F C -0.309 175.530 175.800 0.065 0.000 1.119 262 F CA -0.611 57.423 58.000 0.057 0.000 1.280 262 F CB 0.666 39.723 39.000 0.095 0.000 0.994 262 F HN 0.003 nan 8.300 nan 0.000 0.520 263 D N 0.683 121.167 120.400 0.141 0.000 2.882 263 D HA -0.223 4.417 4.640 0.000 0.000 0.229 263 D C 1.295 177.668 176.300 0.121 0.000 1.167 263 D CA 0.688 54.744 54.000 0.092 0.000 0.759 263 D CB -1.269 39.570 40.800 0.066 0.000 1.088 263 D HN 0.381 nan 8.370 nan 0.000 0.425 264 L N -0.583 120.741 121.223 0.168 0.000 2.270 264 L HA 0.016 4.356 4.340 0.000 0.000 0.210 264 L C 1.155 178.026 176.870 0.003 0.000 1.104 264 L CA 0.528 55.481 54.840 0.187 0.000 0.804 264 L CB 0.157 42.410 42.059 0.324 0.000 0.937 264 L HN -0.082 nan 8.230 nan 0.000 0.450 265 V N 0.831 120.607 119.914 -0.230 0.000 2.488 265 V HA 0.631 4.751 4.120 0.000 0.000 0.277 265 V C 0.615 176.596 176.094 -0.188 0.000 1.046 265 V CA 0.292 62.279 62.300 -0.521 0.000 0.986 265 V CB 0.408 31.940 31.823 -0.485 0.000 0.989 265 V HN 0.437 nan 8.190 nan 0.000 0.475 266 G N 5.992 114.731 108.800 -0.101 0.000 2.344 266 G HA2 0.290 4.250 3.960 0.000 0.000 0.282 266 G HA3 0.290 4.250 3.960 0.000 0.000 0.282 266 G C -3.455 171.462 174.900 0.028 0.000 1.281 266 G CA -0.895 44.196 45.100 -0.015 0.000 0.877 266 G HN 0.455 nan 8.290 nan 0.000 0.494 267 P HA 0.269 nan 4.420 nan 0.000 0.266 267 P C -0.007 177.061 177.300 -0.387 0.000 1.195 267 P CA 0.787 63.669 63.100 -0.364 0.000 0.768 267 P CB 0.384 31.720 31.700 -0.607 0.000 0.838 268 K N -0.698 119.464 120.400 -0.396 0.000 3.446 268 K HA -0.223 4.097 4.320 0.000 0.000 0.312 268 K C -0.143 176.503 176.600 0.075 0.000 1.329 268 K CA 0.392 56.500 56.287 -0.299 0.000 0.935 268 K CB -1.954 29.984 32.500 -0.937 0.000 1.281 268 K HN 0.415 nan 8.250 nan 0.000 0.457 269 F N 1.322 121.300 119.950 0.047 0.000 2.420 269 F HA 0.404 4.931 4.527 0.000 0.000 0.342 269 F C -0.220 175.651 175.800 0.118 0.000 1.113 269 F CA -0.277 57.765 58.000 0.069 0.000 1.059 269 F CB 1.474 40.500 39.000 0.043 0.000 1.128 269 F HN -0.148 nan 8.300 nan 0.000 0.475 270 S N 3.693 119.033 115.700 -0.599 0.000 2.605 270 S HA 0.606 5.076 4.470 0.000 0.000 0.308 270 S C -0.240 173.967 174.600 -0.656 0.000 1.113 270 S CA -0.664 57.321 58.200 -0.358 0.000 1.049 270 S CB 1.466 64.590 63.200 -0.128 0.000 1.001 270 S HN 1.004 nan 8.310 nan 0.000 0.480 271 G N 1.929 110.564 108.800 -0.275 0.000 2.415 271 G HA2 0.556 4.516 3.960 0.000 0.000 0.317 271 G HA3 0.556 4.516 3.960 0.000 0.000 0.317 271 G C 0.242 175.137 174.900 -0.009 0.000 1.152 271 G CA -0.671 44.364 45.100 -0.109 0.000 0.956 271 G HN 0.778 nan 8.290 nan 0.000 0.458 272 G N 1.068 109.863 108.800 -0.009 0.000 2.442 272 G HA2 0.456 4.416 3.960 0.000 0.000 0.249 272 G HA3 0.456 4.416 3.960 0.000 0.000 0.249 272 G C -0.084 174.754 174.900 -0.103 0.000 1.263 272 G CA -0.210 44.761 45.100 -0.214 0.000 0.846 272 G HN 0.993 nan 8.290 nan 0.000 0.555 273 H N -0.547 118.432 119.070 -0.152 0.000 3.195 273 H HA -0.170 4.386 4.556 0.000 0.000 0.330 273 H C 1.479 176.837 175.328 0.049 0.000 1.015 273 H CA 0.525 56.528 56.048 -0.076 0.000 1.043 273 H CB -1.072 28.673 29.762 -0.028 0.000 1.581 273 H HN 0.859 nan 8.280 nan 0.000 0.365 274 G N 1.586 110.535 108.800 0.248 0.000 2.433 274 G HA2 -0.127 3.834 3.960 0.000 0.000 0.216 274 G HA3 -0.127 3.834 3.960 0.000 0.000 0.216 274 G C 1.677 176.749 174.900 0.286 0.000 1.186 274 G CA 1.605 46.987 45.100 0.468 0.000 0.779 274 G HN 0.662 nan 8.290 nan 0.000 0.543 275 V N -0.730 119.401 119.914 0.361 0.000 0.981 275 V HA -0.373 3.748 4.120 0.000 0.000 0.109 275 V C 1.762 177.589 176.094 -0.446 0.000 1.808 275 V CA 2.668 64.915 62.300 -0.087 0.000 3.108 275 V CB -1.219 30.515 31.823 -0.148 0.000 0.850 275 V HN 0.541 nan 8.190 nan 0.000 0.689 276 Y N -0.103 120.235 120.300 0.063 0.000 2.720 276 Y HA 0.625 5.175 4.550 0.000 0.000 0.268 276 Y C 0.522 176.409 175.900 -0.022 0.000 1.142 276 Y CA -0.571 57.544 58.100 0.025 0.000 1.193 276 Y CB 0.291 38.779 38.460 0.046 0.000 1.176 276 Y HN 0.279 nan 8.280 nan 0.000 0.542 277 L N 0.789 121.978 121.223 -0.056 0.000 2.371 277 L HA 0.309 4.649 4.340 0.000 0.000 0.272 277 L C 0.808 177.564 176.870 -0.189 0.000 1.124 277 L CA -0.535 54.166 54.840 -0.231 0.000 0.816 277 L CB 0.946 42.586 42.059 -0.698 0.000 1.129 277 L HN 0.185 nan 8.230 nan 0.000 0.448 278 S N 0.770 116.402 115.700 -0.114 0.000 2.645 278 S HA 0.197 4.667 4.470 0.000 0.000 0.266 278 S C 0.688 175.307 174.600 0.032 0.000 1.258 278 S CA -0.722 57.469 58.200 -0.015 0.000 0.990 278 S CB 0.857 64.059 63.200 0.004 0.000 0.967 278 S HN 0.673 nan 8.310 nan 0.000 0.556 279 N N 0.961 119.721 118.700 0.100 0.000 2.223 279 N HA -0.181 4.559 4.740 0.000 0.000 0.185 279 N C 1.575 177.127 175.510 0.070 0.000 1.016 279 N CA 1.154 54.291 53.050 0.145 0.000 0.863 279 N CB -0.368 38.146 38.487 0.046 0.000 0.983 279 N HN 0.716 nan 8.380 nan 0.000 0.429 280 N N 1.683 120.393 118.700 0.016 0.000 2.084 280 N HA -0.154 4.586 4.740 0.000 0.000 0.190 280 N C 1.396 176.908 175.510 0.003 0.000 1.030 280 N CA 1.301 54.345 53.050 -0.009 0.000 0.849 280 N CB 0.038 38.520 38.487 -0.009 0.000 1.012 280 N HN 0.246 nan 8.380 nan 0.000 0.423 281 E N -1.245 118.945 120.200 -0.018 0.000 2.110 281 E HA -0.155 4.195 4.350 0.000 0.000 0.193 281 E C 1.585 178.172 176.600 -0.021 0.000 0.988 281 E CA 0.894 57.265 56.400 -0.048 0.000 0.804 281 E CB -0.196 29.434 29.700 -0.117 0.000 0.745 281 E HN 0.370 nan 8.360 nan 0.000 0.458 282 F N 1.059 121.016 119.950 0.011 0.000 2.102 282 F HA -0.117 4.410 4.527 0.000 0.000 0.298 282 F C 2.411 178.217 175.800 0.010 0.000 1.105 282 F CA 1.210 59.219 58.000 0.015 0.000 1.239 282 F CB -0.307 38.678 39.000 -0.024 0.000 0.991 282 F HN -0.127 nan 8.300 nan 0.000 0.474 283 R N -0.109 120.481 120.500 0.149 0.000 2.105 283 R HA -0.099 4.241 4.340 0.000 0.000 0.239 283 R C 1.260 177.611 176.300 0.085 0.000 1.135 283 R CA 0.784 56.908 56.100 0.039 0.000 0.967 283 R CB -0.280 29.910 30.300 -0.182 0.000 0.861 283 R HN 0.206 nan 8.270 nan 0.000 0.442 287 K N 2.071 122.546 120.400 0.124 0.000 2.025 287 K HA 0.188 4.508 4.320 0.000 0.000 0.207 287 K C 1.624 178.273 176.600 0.080 0.000 1.049 287 K CA 1.824 58.170 56.287 0.098 0.000 0.933 287 K CB -0.191 32.361 32.500 0.086 0.000 0.714 287 K HN 0.415 nan 8.250 nan 0.000 0.438 288 K N -1.217 119.225 120.400 0.071 0.000 2.432 288 K HA 0.096 4.416 4.320 0.000 0.000 0.196 288 K C 0.686 177.336 176.600 0.083 0.000 1.038 288 K CA 0.695 57.013 56.287 0.052 0.000 0.986 288 K CB 0.201 32.710 32.500 0.014 0.000 0.782 288 K HN 0.466 nan 8.250 nan 0.000 0.485 289 G N 1.133 110.011 108.800 0.131 0.000 2.141 289 G HA2 -0.283 3.678 3.960 0.000 0.000 0.242 289 G HA3 -0.283 3.678 3.960 0.000 0.000 0.242 289 G C 0.204 175.269 174.900 0.274 0.000 0.982 289 G CA 0.093 45.317 45.100 0.208 0.000 0.662 289 G HN 0.476 nan 8.290 nan 0.000 0.527 290 A N -0.429 122.522 122.820 0.219 0.000 2.313 290 A HA 0.941 5.262 4.320 0.000 0.000 0.261 290 A C 0.712 178.502 177.584 0.344 0.000 1.090 290 A CA 0.932 53.152 52.037 0.305 0.000 0.807 290 A CB 0.910 20.021 19.000 0.185 0.000 1.055 290 A HN 2.122 nan 8.150 nan 0.000 0.492 291 A N 0.023 123.085 122.820 0.404 0.000 2.380 291 A HA 0.690 5.010 4.320 0.000 0.000 0.315 291 A C -0.596 177.154 177.584 0.277 0.000 1.101 291 A CA -0.473 51.742 52.037 0.297 0.000 0.771 291 A CB 1.358 20.496 19.000 0.230 0.000 1.287 291 A HN 1.865 nan 8.150 nan 0.000 0.436 292 V N 1.436 121.495 119.914 0.243 0.000 2.769 292 V HA 0.695 4.815 4.120 0.000 0.000 0.312 292 V C -0.983 175.166 176.094 0.092 0.000 1.058 292 V CA -0.455 61.963 62.300 0.197 0.000 0.952 292 V CB 1.984 34.002 31.823 0.325 0.000 1.019 292 V HN 0.752 nan 8.190 nan 0.000 0.445 293 V N 6.715 126.611 119.914 -0.029 0.000 2.350 293 V HA 0.359 4.479 4.120 0.000 0.000 0.285 293 V C -0.406 175.517 176.094 -0.286 0.000 1.014 293 V CA -0.563 61.680 62.300 -0.096 0.000 0.831 293 V CB 1.144 32.913 31.823 -0.090 0.000 1.000 293 V HN 0.743 nan 8.190 nan 0.000 0.433 294 F N 6.004 125.638 119.950 -0.526 0.000 2.434 294 F HA 0.364 4.891 4.527 0.000 0.000 0.358 294 F C 0.325 175.762 175.800 -0.605 0.000 1.136 294 F CA -1.247 56.233 58.000 -0.867 0.000 1.157 294 F CB 0.190 38.578 39.000 -1.021 0.000 1.167 294 F HN 0.460 nan 8.300 nan 0.000 0.539 295 C N 10.277 129.315 119.300 -0.437 0.000 2.503 295 C HA 0.234 4.695 4.460 0.000 0.000 0.356 295 C C -0.766 174.018 174.990 -0.343 0.000 1.168 295 C CA -1.016 57.731 59.018 -0.451 0.000 1.655 295 C CB -0.276 27.219 27.740 -0.409 0.000 1.660 295 C HN 0.661 nan 8.230 nan 0.000 0.484 296 P HA -0.138 nan 4.420 nan 0.000 0.216 296 P C 1.373 178.572 177.300 -0.168 0.000 1.153 296 P CA 1.707 64.584 63.100 -0.372 0.000 0.858 296 P CB 0.157 31.458 31.700 -0.665 0.000 0.789 297 C N -0.244 118.939 119.300 -0.196 0.000 2.413 297 C HA -0.079 4.381 4.460 0.000 0.000 0.276 297 C C 3.331 178.294 174.990 -0.046 0.000 1.248 297 C CA 1.690 60.646 59.018 -0.104 0.000 1.742 297 C CB -1.934 25.728 27.740 -0.130 0.000 2.017 297 C HN 0.356 nan 8.230 nan 0.000 0.481 298 S N 1.056 116.719 115.700 -0.062 0.000 2.357 298 S HA -0.129 4.341 4.470 0.000 0.000 0.221 298 S C 1.758 176.339 174.600 -0.032 0.000 1.031 298 S CA 1.535 59.714 58.200 -0.036 0.000 0.982 298 S CB -0.424 62.800 63.200 0.041 0.000 0.853 298 S HN 0.604 nan 8.310 nan 0.000 0.458 299 N N 1.684 120.385 118.700 0.002 0.000 2.094 299 N HA -0.065 4.676 4.740 0.000 0.000 0.191 299 N C 1.721 177.223 175.510 -0.014 0.000 1.023 299 N CA 1.422 54.474 53.050 0.004 0.000 0.857 299 N CB -0.630 37.913 38.487 0.093 0.000 1.013 299 N HN 0.441 nan 8.380 nan 0.000 0.426 300 L N -1.116 120.111 121.223 0.006 0.000 2.095 300 L HA -0.011 4.329 4.340 0.000 0.000 0.204 300 L C 2.129 178.988 176.870 -0.017 0.000 1.080 300 L CA 0.503 55.343 54.840 -0.000 0.000 0.759 300 L CB -0.411 41.658 42.059 0.018 0.000 0.914 300 L HN 0.012 nan 8.230 nan 0.000 0.439 301 F N 0.921 120.789 119.950 -0.137 0.000 2.134 301 F HA -0.180 4.348 4.527 0.000 0.000 0.299 301 F C 2.004 177.657 175.800 -0.245 0.000 1.097 301 F CA 1.534 59.431 58.000 -0.172 0.000 1.264 301 F CB 0.025 38.910 39.000 -0.191 0.000 1.001 301 F HN -0.115 nan 8.300 nan 0.000 0.479 302 L N -0.602 120.507 121.223 -0.190 0.000 2.591 302 L HA 0.241 4.581 4.340 0.000 0.000 0.228 302 L C 1.747 178.463 176.870 -0.257 0.000 1.133 302 L CA 0.613 55.246 54.840 -0.345 0.000 0.880 302 L CB -0.783 41.025 42.059 -0.418 0.000 1.033 302 L HN 0.417 nan 8.230 nan 0.000 0.450 303 G N -0.576 108.114 108.800 -0.184 0.000 2.162 303 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 303 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 303 G C 1.054 175.922 174.900 -0.053 0.000 0.976 303 G CA 0.598 45.627 45.100 -0.119 0.000 0.655 303 G HN 0.329 nan 8.290 nan 0.000 0.533 304 S N -0.266 115.401 115.700 -0.056 0.000 2.372 304 S HA 0.270 4.740 4.470 0.000 0.000 0.227 304 S C 1.861 176.505 174.600 0.073 0.000 1.044 304 S CA 2.282 60.498 58.200 0.025 0.000 1.050 304 S CB -0.268 62.908 63.200 -0.040 0.000 0.901 304 S HN 2.362 nan 8.310 nan 0.000 0.447 305 G N -0.403 108.400 108.800 0.006 0.000 2.302 305 G HA2 0.134 4.094 3.960 0.000 0.000 0.276 305 G HA3 0.134 4.094 3.960 0.000 0.000 0.276 305 G C -1.849 173.042 174.900 -0.015 0.000 1.316 305 G CA -0.987 44.101 45.100 -0.021 0.000 0.988 305 G HN 0.252 nan 8.290 nan 0.000 0.479 306 L N 0.784 121.979 121.223 -0.047 0.000 2.277 306 L HA 0.510 4.850 4.340 0.000 0.000 0.284 306 L C 0.097 176.943 176.870 -0.040 0.000 1.028 306 L CA -0.669 54.168 54.840 -0.005 0.000 0.835 306 L CB 1.286 43.330 42.059 -0.026 0.000 1.215 306 L HN 0.530 nan 8.230 nan 0.000 0.425 307 F N 3.860 123.737 119.950 -0.122 0.000 2.578 307 F HA 0.071 4.598 4.527 0.000 0.000 0.376 307 F C 0.925 176.545 175.800 -0.300 0.000 1.085 307 F CA -0.211 57.651 58.000 -0.229 0.000 1.260 307 F CB 0.451 39.232 39.000 -0.365 0.000 1.095 307 F HN 0.393 nan 8.300 nan 0.000 0.573 308 R N 7.293 127.227 120.500 -0.943 0.000 3.247 308 R HA 0.078 4.418 4.340 0.000 0.000 0.212 308 R C 1.206 176.891 176.300 -1.025 0.000 1.604 308 R CA -0.324 55.326 56.100 -0.751 0.000 1.279 308 R CB -0.222 29.800 30.300 -0.464 0.000 1.277 308 R HN 0.734 nan 8.270 nan 0.000 0.669 309 L N 1.505 122.261 121.223 -0.778 0.000 2.043 309 L HA -0.101 4.239 4.340 0.000 0.000 0.212 309 L C 2.058 178.670 176.870 -0.430 0.000 1.075 309 L CA 2.163 56.703 54.840 -0.500 0.000 0.752 309 L CB -0.710 41.216 42.059 -0.223 0.000 0.891 309 L HN 0.593 nan 8.230 nan 0.000 0.432 310 G N -1.403 107.195 108.800 -0.337 0.000 2.470 310 G HA2 -0.310 3.650 3.960 0.000 0.000 0.220 310 G HA3 -0.310 3.650 3.960 0.000 0.000 0.220 310 G C 1.782 176.467 174.900 -0.358 0.000 1.121 310 G CA 0.822 45.757 45.100 -0.276 0.000 0.766 310 G HN 0.386 nan 8.290 nan 0.000 0.553 311 R N 0.493 120.699 120.500 -0.490 0.000 2.080 311 R HA 0.286 4.626 4.340 0.000 0.000 0.222 311 R C 2.754 178.594 176.300 -0.768 0.000 1.107 311 R CA 1.350 57.111 56.100 -0.564 0.000 0.980 311 R CB -0.505 29.432 30.300 -0.606 0.000 0.879 311 R HN 0.166 nan 8.270 nan 0.000 0.439 312 A N -0.395 121.840 122.820 -0.976 0.000 2.015 312 A HA -0.107 4.214 4.320 0.000 0.000 0.219 312 A C 1.773 179.098 177.584 -0.432 0.000 1.163 312 A CA 1.745 53.316 52.037 -0.777 0.000 0.646 312 A CB -0.740 18.006 19.000 -0.424 0.000 0.806 312 A HN 0.541 nan 8.150 nan 0.000 0.448 313 T N -2.171 112.087 114.554 -0.493 0.000 3.188 313 T HA 0.135 4.485 4.350 0.000 0.000 0.250 313 T C 0.265 174.755 174.700 -0.349 0.000 1.077 313 T CA 0.202 61.975 62.100 -0.544 0.000 0.967 313 T CB -0.412 67.824 68.868 -1.054 0.000 1.006 313 T HN 0.304 nan 8.240 nan 0.000 0.552 314 D N 3.741 123.980 120.400 -0.268 0.000 2.451 314 D HA 0.049 4.690 4.640 0.000 0.000 0.254 314 D C -0.830 175.406 176.300 -0.106 0.000 1.204 314 D CA -2.121 51.788 54.000 -0.152 0.000 0.896 314 D CB 1.303 42.041 40.800 -0.104 0.000 1.136 314 D HN 0.104 nan 8.370 nan 0.000 0.499 315 P HA -0.160 nan 4.420 nan 0.000 0.221 315 P C 0.527 177.760 177.300 -0.111 0.000 1.145 315 P CA 1.096 64.147 63.100 -0.082 0.000 0.795 315 P CB 0.315 31.979 31.700 -0.060 0.000 0.775 316 E N -1.207 118.907 120.200 -0.143 0.000 2.299 316 E HA -0.062 4.288 4.350 0.000 0.000 0.193 316 E C 0.468 176.689 176.600 -0.631 0.000 0.998 316 E CA 0.646 56.850 56.400 -0.328 0.000 0.851 316 E CB -0.081 29.447 29.700 -0.285 0.000 0.795 316 E HN 0.548 nan 8.360 nan 0.000 0.492 317 H N 0.212 119.261 119.070 -0.035 0.000 2.947 317 H HA 0.204 4.760 4.556 0.000 0.000 0.222 317 H C -0.610 174.698 175.328 -0.033 0.000 1.414 317 H CA -0.605 55.433 56.048 -0.016 0.000 1.224 317 H CB 0.197 29.956 29.762 -0.004 0.000 2.100 317 H HN -0.122 nan 8.280 nan 0.000 0.524 318 R N 1.489 121.997 120.500 0.013 0.000 2.502 318 R HA 0.117 4.457 4.340 0.000 0.000 0.292 318 R C -0.692 175.635 176.300 0.044 0.000 0.998 318 R CA 0.152 56.244 56.100 -0.015 0.000 1.056 318 R CB -0.055 30.230 30.300 -0.025 0.000 0.939 318 R HN 0.071 nan 8.270 nan 0.000 0.411 319 V N 6.001 125.935 119.914 0.034 0.000 2.483 319 V HA 0.317 4.437 4.120 0.000 0.000 0.295 319 V C 0.620 176.789 176.094 0.124 0.000 1.035 319 V CA -0.742 61.632 62.300 0.123 0.000 0.896 319 V CB 1.686 33.628 31.823 0.198 0.000 0.986 319 V HN 0.754 nan 8.190 nan 0.000 0.447 323 F N 1.559 121.469 119.950 -0.067 0.000 2.378 323 F HA 0.845 5.372 4.527 0.000 0.000 0.319 323 F C 1.343 177.052 175.800 -0.152 0.000 1.155 323 F CA -0.041 57.884 58.000 -0.125 0.000 1.157 323 F CB 1.479 40.382 39.000 -0.162 0.000 1.252 323 F HN 1.092 nan 8.300 nan 0.000 0.550 324 G N -0.600 108.158 108.800 -0.071 0.000 2.667 324 G HA2 0.461 4.421 3.960 0.000 0.000 0.298 324 G HA3 0.461 4.421 3.960 0.000 0.000 0.298 324 G C 0.108 174.919 174.900 -0.148 0.000 1.377 324 G CA -0.193 44.857 45.100 -0.084 0.000 0.964 324 G HN 0.667 nan 8.290 nan 0.000 0.493 325 T N -1.658 112.841 114.554 -0.092 0.000 2.852 325 T HA 0.092 4.442 4.350 0.000 0.000 0.256 325 T C 0.984 175.628 174.700 -0.094 0.000 1.038 325 T CA 1.313 63.336 62.100 -0.129 0.000 1.141 325 T CB -0.212 68.559 68.868 -0.162 0.000 0.869 325 T HN 0.847 nan 8.240 nan 0.000 0.439 326 D N 0.381 120.788 120.400 0.013 0.000 2.739 326 D HA -0.136 4.505 4.640 0.000 0.000 0.240 326 D C -0.559 175.797 176.300 0.093 0.000 1.114 326 D CA 0.226 54.337 54.000 0.184 0.000 0.695 326 D CB -2.060 38.842 40.800 0.170 0.000 1.078 326 D HN 0.414 nan 8.370 nan 0.000 0.434 327 V N 0.166 120.044 119.914 -0.061 0.000 2.625 327 V HA 0.381 4.501 4.120 0.000 0.000 0.305 327 V C 1.993 178.095 176.094 0.013 0.000 1.055 327 V CA 1.826 64.014 62.300 -0.186 0.000 1.209 327 V CB 0.549 32.032 31.823 -0.567 0.000 0.877 327 V HN 0.808 nan 8.190 nan 0.000 0.489 328 G N 4.783 113.579 108.800 -0.006 0.000 2.475 328 G HA2 -0.139 3.821 3.960 0.000 0.000 0.198 328 G HA3 -0.139 3.821 3.960 0.000 0.000 0.198 328 G C 1.026 176.017 174.900 0.152 0.000 2.226 328 G CA 0.158 45.343 45.100 0.143 0.000 1.626 328 G HN 1.132 nan 8.290 nan 0.000 0.534 329 G N 1.524 110.384 108.800 0.099 0.000 2.421 329 G HA2 0.382 4.342 3.960 0.000 0.000 0.216 329 G HA3 0.382 4.342 3.960 0.000 0.000 0.216 329 G C 1.130 175.843 174.900 -0.312 0.000 1.171 329 G CA 1.719 46.645 45.100 -0.291 0.000 0.775 329 G HN 1.582 nan 8.290 nan 0.000 0.543 330 G N -0.085 108.589 108.800 -0.209 0.000 2.476 330 G HA2 0.373 4.333 3.960 0.000 0.000 0.286 330 G HA3 0.373 4.333 3.960 0.000 0.000 0.286 330 G C 0.483 175.156 174.900 -0.377 0.000 1.177 330 G CA -0.087 44.858 45.100 -0.259 0.000 0.870 330 G HN 0.308 nan 8.290 nan 0.000 0.528 331 N N -0.062 118.411 118.700 -0.377 0.000 2.214 331 N HA 0.073 4.813 4.740 0.000 0.000 0.214 331 N C 0.021 175.452 175.510 -0.132 0.000 1.132 331 N CA -0.196 52.659 53.050 -0.324 0.000 0.856 331 N CB 0.703 38.970 38.487 -0.367 0.000 1.020 331 N HN 0.227 nan 8.380 nan 0.000 0.509 332 R N -0.100 120.327 120.500 -0.121 0.000 2.628 332 R HA 0.320 4.661 4.340 0.000 0.000 0.288 332 R C -0.295 175.972 176.300 -0.055 0.000 0.980 332 R CA -0.695 55.384 56.100 -0.035 0.000 0.891 332 R CB 0.631 30.907 30.300 -0.040 0.000 1.188 332 R HN -0.045 nan 8.270 nan 0.000 0.450 333 F N -0.220 119.698 119.950 -0.053 0.000 2.569 333 F HA 0.100 4.628 4.527 0.000 0.000 0.295 333 F C 1.632 177.398 175.800 -0.057 0.000 1.115 333 F CA 0.674 58.638 58.000 -0.060 0.000 1.450 333 F CB 0.546 39.497 39.000 -0.081 0.000 1.107 333 F HN 0.370 nan 8.300 nan 0.000 0.563 337 S N 1.011 116.661 115.700 -0.084 0.000 2.406 337 S HA -0.047 4.423 4.470 0.000 0.000 0.228 337 S C 1.887 176.422 174.600 -0.108 0.000 1.020 337 S CA 1.248 59.402 58.200 -0.075 0.000 0.965 337 S CB 0.128 63.303 63.200 -0.042 0.000 0.798 337 S HN 0.218 nan 8.310 nan 0.000 0.488 338 V N 2.082 121.915 119.914 -0.136 0.000 2.427 338 V HA -0.108 4.013 4.120 0.000 0.000 0.248 338 V C 2.084 178.065 176.094 -0.189 0.000 1.051 338 V CA 1.377 63.567 62.300 -0.184 0.000 1.048 338 V CB -0.613 31.099 31.823 -0.185 0.000 0.666 338 V HN 0.435 nan 8.190 nan 0.000 0.456 339 L N 0.171 121.301 121.223 -0.156 0.000 2.141 339 L HA -0.174 4.166 4.340 0.000 0.000 0.209 339 L C 2.355 179.184 176.870 -0.069 0.000 1.094 339 L CA 1.779 56.555 54.840 -0.107 0.000 0.763 339 L CB -0.602 41.309 42.059 -0.247 0.000 0.908 339 L HN 0.442 nan 8.230 nan 0.000 0.437 340 D N 0.289 120.627 120.400 -0.103 0.000 2.084 340 D HA -0.233 4.407 4.640 0.000 0.000 0.194 340 D C 1.683 177.992 176.300 0.015 0.000 0.990 340 D CA 1.608 55.568 54.000 -0.067 0.000 0.826 340 D CB 0.061 40.812 40.800 -0.081 0.000 0.971 340 D HN 0.146 nan 8.370 nan 0.000 0.453 341 D N -0.498 119.882 120.400 -0.034 0.000 2.224 341 D HA 0.035 4.675 4.640 0.000 0.000 0.205 341 D C 1.950 178.243 176.300 -0.011 0.000 0.965 341 D CA 1.098 55.085 54.000 -0.022 0.000 0.852 341 D CB -0.402 40.354 40.800 -0.073 0.000 0.947 341 D HN 0.331 nan 8.370 nan 0.000 0.494 342 A N 0.149 122.920 122.820 -0.082 0.000 1.902 342 A HA -0.228 4.092 4.320 0.000 0.000 0.217 342 A C 2.176 179.904 177.584 0.240 0.000 1.181 342 A CA 1.225 53.235 52.037 -0.044 0.000 0.623 342 A CB -1.044 17.844 19.000 -0.187 0.000 0.818 342 A HN 0.352 nan 8.150 nan 0.000 0.443 343 Y N 0.766 121.136 120.300 0.116 0.000 2.181 343 Y HA -0.184 4.366 4.550 0.000 0.000 0.288 343 Y C 2.230 178.215 175.900 0.141 0.000 1.146 343 Y CA 2.241 60.441 58.100 0.167 0.000 1.164 343 Y CB -0.209 38.337 38.460 0.143 0.000 0.982 343 Y HN 0.271 nan 8.280 nan 0.000 0.515 344 K N -0.628 119.869 120.400 0.160 0.000 2.057 344 K HA -0.154 4.166 4.320 0.000 0.000 0.207 344 K C 2.008 178.617 176.600 0.016 0.000 1.049 344 K CA 1.663 57.988 56.287 0.063 0.000 0.931 344 K CB -0.463 32.098 32.500 0.101 0.000 0.714 344 K HN 0.198 nan 8.250 nan 0.000 0.440 345 V N 1.395 121.359 119.914 0.083 0.000 2.343 345 V HA -0.153 3.967 4.120 0.000 0.000 0.247 345 V C 1.620 177.741 176.094 0.046 0.000 1.051 345 V CA 1.641 64.004 62.300 0.104 0.000 1.036 345 V CB -0.876 31.104 31.823 0.262 0.000 0.654 345 V HN 0.431 nan 8.190 nan 0.000 0.451 349 N N 2.192 120.863 118.700 -0.047 0.000 2.188 349 N HA -0.082 4.659 4.740 0.000 0.000 0.184 349 N C 1.210 176.691 175.510 -0.048 0.000 1.018 349 N CA 1.621 54.638 53.050 -0.056 0.000 0.858 349 N CB -0.511 37.931 38.487 -0.076 0.000 0.989 349 N HN 0.717 nan 8.380 nan 0.000 0.426 350 N N 0.169 118.843 118.700 -0.044 0.000 2.166 350 N HA -0.090 4.650 4.740 0.000 0.000 0.186 350 N C 1.269 176.764 175.510 -0.025 0.000 1.019 350 N CA 1.589 54.620 53.050 -0.031 0.000 0.856 350 N CB -0.146 38.321 38.487 -0.033 0.000 0.993 350 N HN 0.066 nan 8.380 nan 0.000 0.426 351 T N 0.181 114.719 114.554 -0.025 0.000 2.904 351 T HA 0.026 4.376 4.350 0.000 0.000 0.267 351 T C 1.651 176.341 174.700 -0.018 0.000 1.059 351 T CA 0.668 62.758 62.100 -0.017 0.000 1.137 351 T CB -0.094 68.766 68.868 -0.014 0.000 0.879 351 T HN 0.199 nan 8.240 nan 0.000 0.467 352 L N 0.146 121.355 121.223 -0.024 0.000 2.395 352 L HA 0.191 4.531 4.340 0.000 0.000 0.218 352 L C 1.606 178.461 176.870 -0.026 0.000 1.130 352 L CA 0.801 55.626 54.840 -0.024 0.000 0.826 352 L CB -0.202 41.838 42.059 -0.031 0.000 0.941 352 L HN 0.242 nan 8.230 nan 0.000 0.451 353 L N -0.334 120.872 121.223 -0.028 0.000 2.728 353 L HA 0.075 4.416 4.340 0.000 0.000 0.238 353 L C 1.008 177.867 176.870 -0.019 0.000 1.143 353 L CA -0.141 54.683 54.840 -0.027 0.000 0.937 353 L CB 0.057 42.094 42.059 -0.036 0.000 1.225 353 L HN 0.204 nan 8.230 nan 0.000 0.507 354 D N -0.726 119.665 120.400 -0.014 0.000 2.369 354 D HA 0.080 4.720 4.640 0.000 0.000 0.211 354 D C 1.430 177.725 176.300 -0.008 0.000 1.077 354 D CA 0.569 54.564 54.000 -0.010 0.000 0.842 354 D CB 0.552 41.348 40.800 -0.007 0.000 0.947 354 D HN 0.137 nan 8.370 nan 0.000 0.509 355 G N 0.682 109.477 108.800 -0.009 0.000 2.179 355 G HA2 -0.390 3.570 3.960 0.000 0.000 0.260 355 G HA3 -0.390 3.570 3.960 0.000 0.000 0.260 355 G C 1.243 176.140 174.900 -0.005 0.000 0.977 355 G CA 0.983 46.079 45.100 -0.007 0.000 0.641 355 G HN 0.695 nan 8.290 nan 0.000 0.533 356 S N -0.668 115.030 115.700 -0.005 0.000 2.442 356 S HA 0.210 4.680 4.470 0.000 0.000 0.236 356 S C 2.041 176.639 174.600 -0.003 0.000 1.007 356 S CA 1.393 59.591 58.200 -0.003 0.000 0.965 356 S CB -0.018 63.181 63.200 -0.002 0.000 0.773 356 S HN 0.608 nan 8.310 nan 0.000 0.504 357 I N 0.390 120.957 120.570 -0.004 0.000 3.904 357 I HA 0.229 4.399 4.170 0.000 0.000 0.235 357 I C 0.080 176.194 176.117 -0.004 0.000 1.062 357 I CA 0.076 61.374 61.300 -0.004 0.000 1.574 357 I CB 0.030 38.027 38.000 -0.005 0.000 1.503 357 I HN 0.155 nan 8.210 nan 0.000 0.463 358 D N 2.551 122.947 120.400 -0.005 0.000 2.454 358 D HA 0.170 4.811 4.640 0.000 0.000 0.225 358 D C -1.762 174.535 176.300 -0.006 0.000 1.081 358 D CA -2.533 51.464 54.000 -0.005 0.000 0.864 358 D CB 1.369 42.166 40.800 -0.005 0.000 1.040 358 D HN 0.016 nan 8.370 nan 0.000 0.517 359 P HA -0.161 nan 4.420 nan 0.000 0.221 359 P C 1.069 178.365 177.300 -0.006 0.000 1.145 359 P CA 0.733 63.829 63.100 -0.005 0.000 0.795 359 P CB 0.203 31.901 31.700 -0.004 0.000 0.775 360 S N -0.575 115.122 115.700 -0.006 0.000 2.489 360 S HA 0.021 4.491 4.470 0.000 0.000 0.228 360 S C 1.871 176.467 174.600 -0.008 0.000 0.995 360 S CA 0.131 58.327 58.200 -0.006 0.000 0.934 360 S CB -0.632 62.565 63.200 -0.004 0.000 0.771 360 S HN 0.129 nan 8.310 nan 0.000 0.522 361 R N 0.874 121.369 120.500 -0.009 0.000 2.334 361 R HA 0.289 4.629 4.340 0.000 0.000 0.216 361 R C 0.514 176.804 176.300 -0.016 0.000 0.905 361 R CA -0.157 55.936 56.100 -0.013 0.000 1.064 361 R CB 0.143 30.435 30.300 -0.013 0.000 1.046 361 R HN 0.403 nan 8.270 nan 0.000 0.508 362 K N 1.816 122.208 120.400 -0.013 0.000 2.414 362 K HA -0.078 4.242 4.320 0.000 0.000 0.272 362 K C -0.689 175.901 176.600 -0.016 0.000 0.993 362 K CA 0.621 56.899 56.287 -0.014 0.000 0.964 362 K CB 0.511 33.005 32.500 -0.010 0.000 0.925 362 K HN -0.167 nan 8.250 nan 0.000 0.487 363 D N 4.417 124.807 120.400 -0.017 0.000 2.349 363 D HA 0.052 4.693 4.640 0.000 0.000 0.224 363 D C 0.510 176.800 176.300 -0.016 0.000 1.323 363 D CA -0.306 53.683 54.000 -0.018 0.000 0.917 363 D CB 0.194 40.978 40.800 -0.026 0.000 1.524 363 D HN 0.528 nan 8.370 nan 0.000 0.505 364 L N 1.721 122.938 121.223 -0.010 0.000 2.141 364 L HA -0.017 4.324 4.340 0.000 0.000 0.209 364 L C 2.567 179.437 176.870 -0.000 0.000 1.094 364 L CA 1.398 56.236 54.840 -0.005 0.000 0.763 364 L CB -0.318 41.739 42.059 -0.002 0.000 0.908 364 L HN 0.425 nan 8.230 nan 0.000 0.437 365 A N 0.048 122.867 122.820 -0.003 0.000 1.902 365 A HA -0.261 4.059 4.320 0.000 0.000 0.217 365 A C 2.287 179.873 177.584 0.003 0.000 1.181 365 A CA 1.937 53.976 52.037 0.002 0.000 0.623 365 A CB -0.451 18.546 19.000 -0.005 0.000 0.818 365 A HN 0.457 nan 8.150 nan 0.000 0.443 366 E N -0.391 119.798 120.200 -0.018 0.000 2.107 366 E HA -0.026 4.324 4.350 0.000 0.000 0.191 366 E C 2.116 178.705 176.600 -0.019 0.000 0.982 366 E CA 0.779 57.156 56.400 -0.038 0.000 0.809 366 E CB -0.221 29.437 29.700 -0.070 0.000 0.756 366 E HN 0.532 nan 8.360 nan 0.000 0.459 367 A N 1.455 124.267 122.820 -0.012 0.000 1.933 367 A HA -0.221 4.099 4.320 0.000 0.000 0.218 367 A C 2.133 179.731 177.584 0.024 0.000 1.175 367 A CA 1.559 53.594 52.037 -0.005 0.000 0.628 367 A CB -0.510 18.485 19.000 -0.008 0.000 0.814 367 A HN 0.286 nan 8.150 nan 0.000 0.444 368 E N 0.413 120.636 120.200 0.038 0.000 2.072 368 E HA -0.152 4.198 4.350 0.000 0.000 0.191 368 E C 2.004 178.685 176.600 0.136 0.000 0.985 368 E CA 0.854 57.293 56.400 0.064 0.000 0.801 368 E CB -0.260 29.471 29.700 0.052 0.000 0.750 368 E HN 0.610 nan 8.360 nan 0.000 0.452 369 R N 0.397 121.003 120.500 0.176 0.000 2.328 369 R HA 0.006 4.347 4.340 0.000 0.000 0.207 369 R C 1.561 178.118 176.300 0.428 0.000 1.056 369 R CA 0.390 56.726 56.100 0.393 0.000 1.016 369 R CB -0.111 30.293 30.300 0.172 0.000 0.872 369 R HN 0.146 nan 8.270 nan 0.000 0.471 370 N N 0.888 119.711 118.700 0.205 0.000 2.353 370 N HA -0.011 4.729 4.740 0.000 0.000 0.185 370 N C -0.366 175.244 175.510 0.167 0.000 1.098 370 N CA 0.376 53.521 53.050 0.158 0.000 0.872 370 N CB 0.434 38.937 38.487 0.026 0.000 0.970 370 N HN 0.148 nan 8.380 nan 0.000 0.467 371 K N 1.368 121.864 120.400 0.160 0.000 2.338 371 K HA 0.111 4.431 4.320 0.000 0.000 0.290 371 K C -0.413 176.311 176.600 0.207 0.000 1.069 371 K CA -0.347 56.013 56.287 0.123 0.000 0.941 371 K CB 1.060 33.615 32.500 0.091 0.000 1.023 371 K HN -0.105 nan 8.250 nan 0.000 0.477 372 L N 4.304 125.736 121.223 0.347 0.000 2.356 372 L HA 0.038 4.379 4.340 0.000 0.000 0.282 372 L C 0.192 177.330 176.870 0.447 0.000 1.132 372 L CA 0.234 55.330 54.840 0.428 0.000 0.923 372 L CB -0.166 42.228 42.059 0.558 0.000 1.278 372 L HN 0.605 nan 8.230 nan 0.000 0.436 373 S N 4.821 120.646 115.700 0.208 0.000 2.608 373 S HA 0.369 4.839 4.470 0.000 0.000 0.261 373 S C -1.517 173.257 174.600 0.289 0.000 1.314 373 S CA -0.735 57.571 58.200 0.177 0.000 0.992 373 S CB 0.280 63.557 63.200 0.129 0.000 0.935 373 S HN 0.564 nan 8.310 nan 0.000 0.564 374 P HA -0.103 nan 4.420 nan 0.000 0.222 374 P C 0.700 178.217 177.300 0.361 0.000 1.147 374 P CA 1.242 64.556 63.100 0.357 0.000 0.790 374 P CB -0.168 31.641 31.700 0.182 0.000 0.780 375 Y N 0.882 121.397 120.300 0.359 0.000 2.184 375 Y HA -0.050 4.500 4.550 0.000 0.000 0.290 375 Y C 2.949 178.931 175.900 0.136 0.000 1.129 375 Y CA 1.370 59.743 58.100 0.456 0.000 1.144 375 Y CB -0.902 37.717 38.460 0.265 0.000 0.995 375 Y HN -0.179 nan 8.280 nan 0.000 0.513 376 R N -0.492 120.060 120.500 0.088 0.000 2.075 376 R HA -0.078 4.262 4.340 0.000 0.000 0.232 376 R C 2.597 178.950 176.300 0.088 0.000 1.126 376 R CA 1.133 57.135 56.100 -0.164 0.000 0.963 376 R CB -0.892 29.071 30.300 -0.561 0.000 0.858 376 R HN 0.428 nan 8.270 nan 0.000 0.435 377 G N 0.276 109.158 108.800 0.136 0.000 2.421 377 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 377 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 377 G C 1.046 175.828 174.900 -0.196 0.000 1.171 377 G CA 0.469 45.586 45.100 0.028 0.000 0.775 377 G HN 0.165 nan 8.290 nan 0.000 0.543 378 F N -1.094 118.917 119.950 0.101 0.000 2.558 378 F HA 0.185 4.712 4.527 0.000 0.000 0.298 378 F C 2.120 177.959 175.800 0.066 0.000 1.119 378 F CA 0.050 58.148 58.000 0.163 0.000 1.451 378 F CB -0.137 39.118 39.000 0.426 0.000 1.091 378 F HN 0.342 nan 8.300 nan 0.000 0.563 379 W N 0.291 121.330 121.300 -0.433 0.000 2.453 379 W HA -0.090 4.570 4.660 0.000 0.000 0.289 379 W C 2.303 178.611 176.519 -0.352 0.000 1.215 379 W CA 1.492 58.341 57.345 -0.827 0.000 1.297 379 W CB -0.491 28.300 29.460 -1.115 0.000 1.113 379 W HN -0.236 nan 8.180 nan 0.000 0.551 380 S N 0.279 115.802 115.700 -0.296 0.000 2.399 380 S HA -0.190 4.281 4.470 0.000 0.000 0.231 380 S C 1.695 175.876 174.600 -0.699 0.000 1.022 380 S CA 1.701 59.489 58.200 -0.687 0.000 0.983 380 S CB -0.671 61.799 63.200 -1.218 0.000 0.803 380 S HN 0.306 nan 8.310 nan 0.000 0.480 381 V N -0.038 119.594 119.914 -0.470 0.000 3.649 381 V HA 0.256 4.377 4.120 0.000 0.000 0.275 381 V C 1.054 177.108 176.094 -0.067 0.000 1.281 381 V CA 0.887 63.018 62.300 -0.281 0.000 1.143 381 V CB -0.880 30.721 31.823 -0.370 0.000 0.892 381 V HN 0.579 nan 8.190 nan 0.000 0.441 382 T N -2.772 111.701 114.554 -0.136 0.000 2.232 382 T HA 0.255 4.606 4.350 0.000 0.000 0.164 382 T C 1.289 175.838 174.700 -0.252 0.000 0.764 382 T CA 0.527 62.598 62.100 -0.048 0.000 0.938 382 T CB -0.150 68.808 68.868 0.149 0.000 2.863 382 T HN 0.137 nan 8.240 nan 0.000 0.384 383 L N 2.676 123.728 121.223 -0.285 0.000 2.051 383 L HA 0.151 4.491 4.340 0.000 0.000 0.214 383 L C 2.598 179.034 176.870 -0.723 0.000 1.076 383 L CA 2.788 57.412 54.840 -0.360 0.000 0.758 383 L CB -1.302 40.682 42.059 -0.125 0.000 0.890 383 L HN 0.753 nan 8.230 nan 0.000 0.433 384 G N -1.514 106.315 108.800 -1.618 0.000 2.418 384 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 384 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 384 G C 1.509 175.926 174.900 -0.804 0.000 1.158 384 G CA 0.561 44.489 45.100 -1.953 0.000 0.771 384 G HN 0.606 nan 8.290 nan 0.000 0.545 385 G N 0.875 109.325 108.800 -0.584 0.000 2.422 385 G HA2 0.112 4.073 3.960 0.000 0.000 0.218 385 G HA3 0.112 4.073 3.960 0.000 0.000 0.218 385 G C 1.982 176.771 174.900 -0.184 0.000 1.140 385 G CA 1.418 46.343 45.100 -0.292 0.000 0.775 385 G HN 0.618 nan 8.290 nan 0.000 0.545 386 A N 1.183 123.885 122.820 -0.197 0.000 1.873 386 A HA 0.004 4.324 4.320 0.000 0.000 0.215 386 A C 2.155 179.690 177.584 -0.081 0.000 1.186 386 A CA 1.781 53.764 52.037 -0.091 0.000 0.616 386 A CB -0.345 18.610 19.000 -0.074 0.000 0.823 386 A HN 0.442 nan 8.150 nan 0.000 0.442 387 E N -0.601 119.508 120.200 -0.151 0.000 2.150 387 E HA -0.089 4.261 4.350 0.000 0.000 0.193 387 E C 2.022 178.451 176.600 -0.284 0.000 0.985 387 E CA 0.692 56.989 56.400 -0.172 0.000 0.814 387 E CB -0.341 29.300 29.700 -0.099 0.000 0.752 387 E HN 0.604 nan 8.360 nan 0.000 0.466 388 G N 0.983 109.672 108.800 -0.185 0.000 2.443 388 G HA2 -0.165 3.795 3.960 0.000 0.000 0.219 388 G HA3 -0.165 3.795 3.960 0.000 0.000 0.219 388 G C 1.415 176.310 174.900 -0.009 0.000 1.131 388 G CA 0.258 45.291 45.100 -0.112 0.000 0.775 388 G HN 0.108 nan 8.290 nan 0.000 0.547 389 L N -1.315 119.941 121.223 0.055 0.000 2.640 389 L HA 0.332 4.672 4.340 0.000 0.000 0.230 389 L C 0.086 177.290 176.870 0.557 0.000 1.123 389 L CA -0.506 54.510 54.840 0.292 0.000 0.900 389 L CB 0.066 42.228 42.059 0.171 0.000 1.146 389 L HN 0.177 nan 8.230 nan 0.000 0.484 390 Y N 0.271 120.720 120.300 0.247 0.000 3.389 390 Y HA -0.233 4.317 4.550 0.000 0.000 0.213 390 Y C 0.877 176.969 175.900 0.321 0.000 1.272 390 Y CA 0.804 59.040 58.100 0.228 0.000 1.444 390 Y CB -1.657 36.876 38.460 0.122 0.000 1.445 390 Y HN 0.348 nan 8.280 nan 0.000 0.583 391 I N -3.200 117.558 120.570 0.314 0.000 3.813 391 I HA 0.228 4.398 4.170 0.000 0.000 0.323 391 I C 1.193 177.393 176.117 0.139 0.000 1.536 391 I CA -0.089 61.364 61.300 0.255 0.000 1.083 391 I CB 0.417 38.530 38.000 0.187 0.000 1.265 391 I HN 0.106 nan 8.210 nan 0.000 0.507 392 D N 1.369 121.835 120.400 0.110 0.000 2.371 392 D HA -0.207 4.433 4.640 0.000 0.000 0.221 392 D C 1.098 177.447 176.300 0.081 0.000 0.986 392 D CA 0.852 54.890 54.000 0.063 0.000 0.899 392 D CB -0.078 40.743 40.800 0.035 0.000 0.902 392 D HN 0.623 nan 8.370 nan 0.000 0.530 393 D N 0.875 121.341 120.400 0.110 0.000 2.249 393 D HA -0.122 4.519 4.640 0.000 0.000 0.205 393 D C 1.552 177.906 176.300 0.089 0.000 0.962 393 D CA 0.500 54.562 54.000 0.102 0.000 0.860 393 D CB -0.018 40.853 40.800 0.118 0.000 0.955 393 D HN 0.033 nan 8.370 nan 0.000 0.505 394 K N -0.183 120.273 120.400 0.093 0.000 2.276 394 K HA 0.325 4.646 4.320 0.000 0.000 0.198 394 K C 1.092 177.730 176.600 0.063 0.000 1.052 394 K CA 0.183 56.518 56.287 0.079 0.000 0.984 394 K CB 1.130 33.680 32.500 0.084 0.000 0.836 394 K HN 0.243 nan 8.250 nan 0.000 0.490 395 L N -2.332 118.923 121.223 0.054 0.000 2.194 395 L HA 0.555 4.896 4.340 0.000 0.000 0.248 395 L C 0.909 177.781 176.870 0.004 0.000 1.071 395 L CA -0.291 54.568 54.840 0.032 0.000 0.901 395 L CB 2.077 44.155 42.059 0.030 0.000 1.497 395 L HN 0.315 nan 8.230 nan 0.000 0.442 396 G N 0.142 108.925 108.800 -0.028 0.000 2.612 396 G HA2 -0.178 3.782 3.960 0.000 0.000 0.200 396 G HA3 -0.178 3.782 3.960 0.000 0.000 0.200 396 G C -0.401 174.442 174.900 -0.096 0.000 1.053 396 G CA 0.207 45.273 45.100 -0.057 0.000 0.707 396 G HN 0.853 nan 8.290 nan 0.000 0.497 397 N N -0.816 117.796 118.700 -0.147 0.000 3.308 397 N HA 0.540 5.281 4.740 0.000 0.000 0.276 397 N C -0.480 174.824 175.510 -0.344 0.000 1.533 397 N CA -1.145 51.709 53.050 -0.327 0.000 0.878 397 N CB -0.310 38.099 38.487 -0.129 0.000 1.566 397 N HN -0.016 nan 8.380 nan 0.000 0.546 398 F N 0.199 119.993 119.950 -0.259 0.000 2.740 398 F HA 0.291 4.818 4.527 0.000 0.000 0.294 398 F C 0.643 176.230 175.800 -0.356 0.000 1.225 398 F CA -0.202 57.471 58.000 -0.545 0.000 1.426 398 F CB -0.745 37.397 39.000 -1.431 0.000 1.021 398 F HN 0.150 nan 8.300 nan 0.000 0.508 399 E N 1.598 121.800 120.200 0.002 0.000 2.360 399 E HA 0.129 4.480 4.350 0.000 0.000 0.269 399 E C -2.208 174.423 176.600 0.051 0.000 1.022 399 E CA -2.068 54.368 56.400 0.060 0.000 0.887 399 E CB 0.438 30.178 29.700 0.065 0.000 0.990 399 E HN 0.041 nan 8.360 nan 0.000 0.426 400 P HA -0.034 nan 4.420 nan 0.000 0.262 400 P C 0.662 177.991 177.300 0.049 0.000 1.182 400 P CA 1.114 64.245 63.100 0.051 0.000 0.761 400 P CB 0.457 32.193 31.700 0.060 0.000 0.795 401 G N 1.858 110.685 108.800 0.044 0.000 2.232 401 G HA2 -0.197 3.763 3.960 0.000 0.000 0.226 401 G HA3 -0.197 3.763 3.960 0.000 0.000 0.226 401 G C 0.147 175.078 174.900 0.052 0.000 0.996 401 G CA -0.331 44.797 45.100 0.048 0.000 0.626 401 G HN 0.511 nan 8.290 nan 0.000 0.509 402 K N 1.022 121.453 120.400 0.052 0.000 2.087 402 K HA 0.474 4.794 4.320 0.000 0.000 0.255 402 K C 0.185 176.827 176.600 0.071 0.000 0.988 402 K CA -0.555 55.767 56.287 0.059 0.000 0.915 402 K CB 0.968 33.499 32.500 0.051 0.000 1.043 402 K HN 0.380 nan 8.250 nan 0.000 0.457 403 E N 0.595 120.842 120.200 0.079 0.000 2.360 403 E HA 0.085 4.435 4.350 0.000 0.000 0.269 403 E C -0.516 176.168 176.600 0.140 0.000 1.022 403 E CA -0.336 56.122 56.400 0.096 0.000 0.887 403 E CB 0.814 30.563 29.700 0.083 0.000 0.990 403 E HN 0.516 nan 8.360 nan 0.000 0.426 404 A N 4.215 127.141 122.820 0.177 0.000 3.056 404 A HA 0.089 4.410 4.320 0.000 0.000 0.274 404 A C -0.760 177.063 177.584 0.399 0.000 1.661 404 A CA -0.457 51.761 52.037 0.301 0.000 1.363 404 A CB -0.296 18.880 19.000 0.294 0.000 1.139 404 A HN 0.400 nan 8.150 nan 0.000 0.598 405 D N 1.565 122.163 120.400 0.330 0.000 2.193 405 D HA 0.672 5.313 4.640 0.000 0.000 0.244 405 D C -0.332 176.190 176.300 0.370 0.000 1.064 405 D CA 0.348 54.476 54.000 0.214 0.000 0.845 405 D CB 1.154 42.020 40.800 0.110 0.000 1.148 405 D HN 0.439 nan 8.370 nan 0.000 0.464 406 F N -0.824 119.233 119.950 0.178 0.000 2.741 406 F HA 0.723 5.250 4.527 0.000 0.000 0.313 406 F C -1.620 174.247 175.800 0.112 0.000 1.153 406 F CA -1.160 56.938 58.000 0.164 0.000 0.931 406 F CB 0.976 40.121 39.000 0.241 0.000 1.335 406 F HN 0.038 nan 8.300 nan 0.000 0.460 407 V N 1.331 121.386 119.914 0.235 0.000 2.709 407 V HA 0.805 4.925 4.120 0.000 0.000 0.308 407 V C -0.558 175.636 176.094 0.166 0.000 1.062 407 V CA -0.778 61.578 62.300 0.093 0.000 0.901 407 V CB 1.716 33.409 31.823 -0.217 0.000 1.003 407 V HN 1.175 nan 8.190 nan 0.000 0.425 408 A N 5.870 128.793 122.820 0.172 0.000 2.253 408 A HA 0.768 5.089 4.320 0.000 0.000 0.316 408 A C -0.593 177.043 177.584 0.088 0.000 1.327 408 A CA -0.329 51.775 52.037 0.111 0.000 0.917 408 A CB 0.042 19.119 19.000 0.128 0.000 1.162 408 A HN 0.791 nan 8.150 nan 0.000 0.535 409 L N 2.071 123.333 121.223 0.065 0.000 2.312 409 L HA 0.318 4.658 4.340 0.000 0.000 0.281 409 L C -0.180 176.713 176.870 0.038 0.000 1.070 409 L CA -0.637 54.247 54.840 0.073 0.000 0.805 409 L CB 1.361 43.466 42.059 0.076 0.000 1.174 409 L HN 0.646 nan 8.230 nan 0.000 0.434 410 D N 5.163 125.592 120.400 0.048 0.000 2.473 410 D HA 0.197 4.838 4.640 0.000 0.000 0.226 410 D C -1.500 174.817 176.300 0.029 0.000 1.089 410 D CA -2.206 51.810 54.000 0.027 0.000 0.883 410 D CB 1.415 42.234 40.800 0.031 0.000 1.029 410 D HN 0.193 nan 8.370 nan 0.000 0.517 411 P HA -0.133 nan 4.420 nan 0.000 0.222 411 P C 0.520 177.835 177.300 0.026 0.000 1.142 411 P CA 0.668 63.773 63.100 0.008 0.000 0.788 411 P CB 0.488 32.176 31.700 -0.021 0.000 0.767 412 N N -0.418 118.299 118.700 0.029 0.000 2.336 412 N HA 0.044 4.785 4.740 0.000 0.000 0.189 412 N C 1.201 176.739 175.510 0.047 0.000 1.113 412 N CA 0.269 53.343 53.050 0.041 0.000 0.858 412 N CB 0.082 38.590 38.487 0.034 0.000 0.970 412 N HN 0.142 nan 8.380 nan 0.000 0.471 413 G N -0.515 108.312 108.800 0.046 0.000 2.527 413 G HA2 0.491 4.451 3.960 0.000 0.000 0.248 413 G HA3 0.491 4.451 3.960 0.000 0.000 0.248 413 G C 0.527 175.457 174.900 0.049 0.000 1.231 413 G CA 0.464 45.593 45.100 0.048 0.000 0.838 413 G HN 0.323 nan 8.290 nan 0.000 0.570 414 G N 0.144 108.970 108.800 0.044 0.000 2.318 414 G HA2 0.223 4.183 3.960 0.000 0.000 0.367 414 G HA3 0.223 4.183 3.960 0.000 0.000 0.367 414 G C 0.001 174.921 174.900 0.033 0.000 1.260 414 G CA -0.083 45.039 45.100 0.037 0.000 1.055 414 G HN 1.228 nan 8.290 nan 0.000 0.484 415 Q N -0.154 119.662 119.800 0.026 0.000 2.539 415 Q HA 0.351 4.691 4.340 0.000 0.000 0.268 415 Q C 1.409 177.432 176.000 0.037 0.000 1.109 415 Q CA 0.055 55.873 55.803 0.025 0.000 0.968 415 Q CB 0.769 29.516 28.738 0.016 0.000 1.309 415 Q HN 0.680 nan 8.270 nan 0.000 0.497 416 L N 0.823 122.067 121.223 0.035 0.000 2.089 416 L HA -0.278 4.062 4.340 0.000 0.000 0.213 416 L C 2.294 179.207 176.870 0.071 0.000 1.079 416 L CA 1.893 56.759 54.840 0.043 0.000 0.758 416 L CB -0.701 41.376 42.059 0.029 0.000 0.891 416 L HN 0.991 nan 8.230 nan 0.000 0.433 417 A N -1.557 121.311 122.820 0.079 0.000 2.121 417 A HA -0.191 4.129 4.320 0.000 0.000 0.218 417 A C 2.067 179.749 177.584 0.164 0.000 1.154 417 A CA 0.799 52.913 52.037 0.128 0.000 0.679 417 A CB -0.264 18.790 19.000 0.091 0.000 0.795 417 A HN 0.439 nan 8.150 nan 0.000 0.458 418 Q N -0.025 119.849 119.800 0.123 0.000 1.998 418 Q HA -0.176 4.165 4.340 0.000 0.000 0.209 418 Q C -0.334 175.775 176.000 0.181 0.000 1.002 418 Q CA 2.534 58.427 55.803 0.149 0.000 0.858 418 Q CB -1.434 27.364 28.738 0.099 0.000 0.932 418 Q HN 0.566 nan 8.270 nan 0.000 0.416 419 P HA -0.167 nan 4.420 nan 0.000 0.220 419 P C 1.049 178.479 177.300 0.217 0.000 1.148 419 P CA 1.188 64.375 63.100 0.144 0.000 0.803 419 P CB -0.409 31.358 31.700 0.112 0.000 0.782 420 W N 0.356 121.688 121.300 0.053 0.000 2.658 420 W HA -0.031 4.629 4.660 0.000 0.000 0.263 420 W C 2.499 179.058 176.519 0.067 0.000 1.274 420 W CA 0.819 58.191 57.345 0.046 0.000 1.343 420 W CB -0.972 28.515 29.460 0.045 0.000 1.106 420 W HN 0.105 nan 8.180 nan 0.000 0.615 421 H N -0.563 118.527 119.070 0.033 0.000 2.343 421 H HA -0.098 4.458 4.556 0.000 0.000 0.303 421 H C 1.707 176.983 175.328 -0.086 0.000 1.068 421 H CA 1.500 57.494 56.048 -0.090 0.000 1.359 421 H CB -0.064 29.688 29.762 -0.017 0.000 1.402 421 H HN 0.041 nan 8.280 nan 0.000 0.515 422 Q N 0.706 120.397 119.800 -0.182 0.000 2.224 422 Q HA -0.092 4.248 4.340 0.000 0.000 0.203 422 Q C 2.442 178.342 176.000 -0.167 0.000 0.970 422 Q CA 1.262 56.935 55.803 -0.216 0.000 0.865 422 Q CB -0.168 28.536 28.738 -0.056 0.000 0.922 422 Q HN 0.548 nan 8.270 nan 0.000 0.445 423 S N 0.018 115.657 115.700 -0.101 0.000 2.507 423 S HA -0.023 4.447 4.470 0.000 0.000 0.235 423 S C 1.845 176.368 174.600 -0.129 0.000 0.988 423 S CA 0.265 58.426 58.200 -0.066 0.000 0.944 423 S CB -0.318 62.903 63.200 0.036 0.000 0.762 423 S HN 0.299 nan 8.310 nan 0.000 0.526 424 L N 0.518 121.607 121.223 -0.224 0.000 2.456 424 L HA 0.182 4.522 4.340 0.000 0.000 0.224 424 L C 1.142 177.917 176.870 -0.159 0.000 1.148 424 L CA 0.456 55.163 54.840 -0.222 0.000 0.825 424 L CB -0.334 41.557 42.059 -0.280 0.000 0.937 424 L HN 0.391 nan 8.230 nan 0.000 0.450 429 A N -0.534 122.285 122.820 -0.001 0.000 3.508 429 A HA 0.766 5.086 4.320 0.000 0.000 0.169 429 A C 1.041 178.623 177.584 -0.004 0.000 0.817 429 A CA 0.918 52.955 52.037 -0.001 0.000 1.256 429 A CB -0.551 18.452 19.000 0.005 0.000 2.053 429 A HN 2.054 nan 8.150 nan 0.000 0.825 430 G N 2.075 110.878 108.800 0.006 0.000 2.227 430 G HA2 0.330 4.290 3.960 0.000 0.000 0.250 430 G HA3 0.330 4.290 3.960 0.000 0.000 0.250 430 G C -1.808 173.114 174.900 0.038 0.000 0.910 430 G CA 0.464 45.577 45.100 0.021 0.000 0.922 430 G HN 0.471 nan 8.290 nan 0.000 0.385 431 P HA 0.130 nan 4.420 nan 0.000 0.267 431 P C 0.241 177.638 177.300 0.161 0.000 1.209 431 P CA -0.098 63.024 63.100 0.036 0.000 0.763 431 P CB 1.141 32.834 31.700 -0.012 0.000 0.816 432 R N 1.088 121.639 120.500 0.084 0.000 2.308 432 R HA 0.150 4.490 4.340 0.000 0.000 0.202 432 R C 0.865 177.284 176.300 0.198 0.000 0.898 432 R CA 0.434 56.637 56.100 0.173 0.000 1.046 432 R CB 0.266 30.620 30.300 0.089 0.000 1.026 432 R HN 0.601 nan 8.270 nan 0.000 0.512 433 T N -4.313 110.175 114.554 -0.110 0.000 2.864 433 T HA 0.154 4.504 4.350 0.000 0.000 0.299 433 T C 0.738 174.962 174.700 -0.793 0.000 1.166 433 T CA -0.805 61.155 62.100 -0.234 0.000 1.007 433 T CB 1.801 70.617 68.868 -0.087 0.000 1.219 433 T HN -0.201 nan 8.240 nan 0.000 0.506 434 V N 0.929 120.494 119.914 -0.582 0.000 2.453 434 V HA -0.168 3.952 4.120 0.000 0.000 0.252 434 V C 1.818 177.831 176.094 -0.134 0.000 1.068 434 V CA 2.526 64.584 62.300 -0.403 0.000 1.070 434 V CB -0.866 30.955 31.823 -0.003 0.000 0.664 434 V HN 0.919 nan 8.190 nan 0.000 0.461 435 D N -0.504 119.843 120.400 -0.088 0.000 2.117 435 D HA -0.161 4.479 4.640 0.000 0.000 0.198 435 D C 2.056 178.286 176.300 -0.117 0.000 0.982 435 D CA 1.613 55.607 54.000 -0.010 0.000 0.828 435 D CB -0.121 40.680 40.800 0.002 0.000 0.967 435 D HN 0.647 nan 8.370 nan 0.000 0.464 436 E N 1.063 121.150 120.200 -0.187 0.000 2.106 436 E HA -0.084 4.266 4.350 0.000 0.000 0.192 436 E C 2.163 178.617 176.600 -0.244 0.000 0.984 436 E CA 0.685 56.975 56.400 -0.184 0.000 0.806 436 E CB 0.012 29.618 29.700 -0.157 0.000 0.750 436 E HN 0.163 nan 8.360 nan 0.000 0.458 437 A N 1.790 124.389 122.820 -0.369 0.000 1.855 437 A HA -0.093 4.227 4.320 0.000 0.000 0.215 437 A C 2.451 179.715 177.584 -0.532 0.000 1.191 437 A CA 1.658 53.449 52.037 -0.411 0.000 0.613 437 A CB -0.688 18.059 19.000 -0.421 0.000 0.829 437 A HN 0.282 nan 8.150 nan 0.000 0.442 438 A N -0.694 121.821 122.820 -0.507 0.000 1.908 438 A HA 0.018 4.338 4.320 0.000 0.000 0.218 438 A C 1.910 179.306 177.584 -0.313 0.000 1.181 438 A CA 1.521 53.203 52.037 -0.592 0.000 0.627 438 A CB -0.942 17.640 19.000 -0.698 0.000 0.818 438 A HN 0.481 nan 8.150 nan 0.000 0.445 442 F N 2.157 122.103 119.950 -0.008 0.000 2.259 442 F HA 0.042 4.569 4.527 0.000 0.000 0.298 442 F C 2.191 178.001 175.800 0.016 0.000 1.088 442 F CA 1.637 59.644 58.000 0.012 0.000 1.358 442 F CB 0.140 39.113 39.000 -0.046 0.000 1.040 442 F HN 0.039 nan 8.300 nan 0.000 0.505 443 A N -0.270 122.605 122.820 0.092 0.000 2.014 443 A HA 0.088 4.408 4.320 0.000 0.000 0.218 443 A C 1.409 178.994 177.584 0.001 0.000 1.163 443 A CA 0.726 52.819 52.037 0.093 0.000 0.652 443 A CB -1.015 18.118 19.000 0.222 0.000 0.808 443 A HN 0.076 nan 8.150 nan 0.000 0.449 448 G N 0.627 109.406 108.800 -0.035 0.000 2.795 448 G HA2 0.682 4.643 3.960 0.000 0.000 0.267 448 G HA3 0.682 4.643 3.960 0.000 0.000 0.267 448 G C -0.910 173.989 174.900 -0.002 0.000 1.362 448 G CA 0.669 45.770 45.100 0.001 0.000 1.048 448 G HN 0.478 nan 8.290 nan 0.000 0.547 449 D N -3.083 117.332 120.400 0.025 0.000 3.831 449 D HA 0.179 4.819 4.640 0.000 0.000 0.327 449 D C 0.550 176.887 176.300 0.063 0.000 1.505 449 D CA 0.228 54.245 54.000 0.029 0.000 0.976 449 D CB -0.279 40.533 40.800 0.019 0.000 1.421 449 D HN 0.395 nan 8.370 nan 0.000 0.624 450 D N -0.801 119.637 120.400 0.063 0.000 2.350 450 D HA -0.113 4.528 4.640 0.000 0.000 0.216 450 D C 1.238 177.594 176.300 0.094 0.000 0.968 450 D CA 0.625 54.676 54.000 0.085 0.000 0.894 450 D CB -0.176 40.659 40.800 0.059 0.000 0.909 450 D HN 0.263 nan 8.370 nan 0.000 0.520 451 R N -0.246 120.300 120.500 0.076 0.000 2.328 451 R HA 0.013 4.354 4.340 0.000 0.000 0.207 451 R C 1.162 177.514 176.300 0.087 0.000 1.056 451 R CA 0.688 56.833 56.100 0.076 0.000 1.016 451 R CB -0.543 29.789 30.300 0.055 0.000 0.872 451 R HN 0.332 nan 8.270 nan 0.000 0.471 452 C N 0.447 119.807 119.300 0.101 0.000 2.594 452 C HA 0.122 4.582 4.460 0.000 0.000 0.265 452 C C 1.029 176.101 174.990 0.136 0.000 1.351 452 C CA -0.265 58.819 59.018 0.109 0.000 1.744 452 C CB -0.238 27.572 27.740 0.118 0.000 1.890 452 C HN 0.032 nan 8.230 nan 0.000 0.551 453 V N 2.036 122.047 119.914 0.162 0.000 2.372 453 V HA 0.091 4.211 4.120 0.000 0.000 0.261 453 V C 0.662 176.880 176.094 0.207 0.000 1.055 453 V CA 0.627 63.040 62.300 0.189 0.000 0.930 453 V CB 0.845 32.784 31.823 0.193 0.000 1.031 453 V HN 0.345 nan 8.190 nan 0.000 0.479 454 D N 3.588 124.074 120.400 0.144 0.000 2.262 454 D HA 0.082 4.722 4.640 0.000 0.000 0.212 454 D C 0.536 176.855 176.300 0.031 0.000 0.964 454 D CA 0.816 54.861 54.000 0.075 0.000 0.875 454 D CB 0.634 41.461 40.800 0.044 0.000 0.996 454 D HN 0.714 nan 8.370 nan 0.000 0.497 455 E N -0.842 119.438 120.200 0.133 0.000 2.321 455 E HA 0.401 4.751 4.350 0.000 0.000 0.278 455 E C -1.333 175.422 176.600 0.258 0.000 0.902 455 E CA -0.635 55.856 56.400 0.152 0.000 0.758 455 E CB 2.337 32.222 29.700 0.309 0.000 1.213 455 E HN -0.169 nan 8.360 nan 0.000 0.426 456 T N 1.781 116.451 114.554 0.193 0.000 2.809 456 T HA 0.412 4.762 4.350 0.000 0.000 0.284 456 T C -1.260 173.405 174.700 -0.058 0.000 0.992 456 T CA -0.692 61.475 62.100 0.112 0.000 0.957 456 T CB 0.421 69.334 68.868 0.075 0.000 0.942 456 T HN 0.244 nan 8.240 nan 0.000 0.439 457 W N 2.352 123.377 121.300 -0.458 0.000 2.606 457 W HA 0.749 5.409 4.660 0.000 0.000 0.332 457 W C -0.434 175.835 176.519 -0.418 0.000 1.052 457 W CA -0.609 56.379 57.345 -0.596 0.000 1.223 457 W CB 1.052 29.672 29.460 -1.400 0.000 1.383 457 W HN 0.370 nan 8.180 nan 0.000 0.524 461 K N 1.104 121.664 120.400 0.267 0.000 2.274 461 K HA 0.542 4.862 4.320 0.000 0.000 0.262 461 K C 0.109 176.535 176.600 -0.290 0.000 0.961 461 K CA -0.812 55.493 56.287 0.031 0.000 0.833 461 K CB 1.251 33.743 32.500 -0.013 0.000 1.102 461 K HN 0.087 nan 8.250 nan 0.000 0.436 462 R N 4.747 124.736 120.500 -0.853 0.000 2.309 462 R HA 0.070 4.410 4.340 0.000 0.000 0.331 462 R C 0.042 175.958 176.300 -0.640 0.000 1.116 462 R CA -0.131 55.148 56.100 -1.369 0.000 0.970 462 R CB 0.202 29.382 30.300 -1.866 0.000 1.024 462 R HN 0.565 nan 8.270 nan 0.000 0.472 463 L N 4.834 125.804 121.223 -0.422 0.000 2.270 463 L HA 0.101 4.441 4.340 0.000 0.000 0.210 463 L C 0.113 176.918 176.870 -0.108 0.000 1.104 463 L CA 0.991 55.706 54.840 -0.209 0.000 0.804 463 L CB -0.475 41.509 42.059 -0.126 0.000 0.937 463 L HN 0.553 nan 8.230 nan 0.000 0.450 464 Y N -0.348 119.779 120.300 -0.287 0.000 2.553 464 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 464 Y C -0.861 174.923 175.900 -0.193 0.000 1.019 464 Y CA -1.786 56.194 58.100 -0.200 0.000 1.032 464 Y CB 1.427 39.800 38.460 -0.146 0.000 1.284 464 Y HN -0.099 nan 8.280 nan 0.000 0.466 465 K N 4.486 124.232 120.400 -1.090 0.000 2.690 465 K HA 0.251 4.572 4.320 0.000 0.000 0.264 465 K C -1.704 174.340 176.600 -0.926 0.000 1.040 465 K CA -0.574 55.222 56.287 -0.818 0.000 0.946 465 K CB 0.943 33.199 32.500 -0.407 0.000 1.268 465 K HN 0.645 nan 8.250 nan 0.000 0.473 466 K N 3.033 122.909 120.400 -0.873 0.000 2.530 466 K HA -0.001 4.319 4.320 0.000 0.000 0.280 466 K C 0.122 176.592 176.600 -0.216 0.000 1.004 466 K CA 0.666 56.723 56.287 -0.383 0.000 1.071 466 K CB 0.281 32.730 32.500 -0.086 0.000 0.876 466 K HN 0.857 nan 8.250 nan 0.000 0.487 467 S N 0.000 115.624 115.700 -0.126 0.000 2.498 467 S HA 0.000 4.470 4.470 0.000 0.000 0.327 467 S CA 0.000 58.150 58.200 -0.083 0.000 1.107 467 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 467 S HN 0.000 nan 8.310 nan 0.000 0.517