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 3i4b_1_A DATA FIRST_RESID 25 DATA SEQUENCE SMKVSRXXDG SKVTTVVATP GQGPDRPQEV SYTDTKVIGN GSFGVVYQAK DATA SEQUENCE LCDSGELVAI KKVLQDKRFK NRELQIMRKL DHCNIVRLRY FFYSSGEKKD DATA SEQUENCE EVYLNLVLDY VPETVYRVAR HYSRAKQTLP VIYVKLYMYQ LFRSLAYIHS DATA SEQUENCE FGICHRDIKP QNLLLDPDTA VLKLCDFGSA KQLVRGEPNV SYICSRYYRA DATA SEQUENCE PELIFGATDY TSSIDVWSAG CVLAELLLGQ PIFPGDSGVD QLVEIIKVLG DATA SEQUENCE TPTREQIREM NPNYTEFKFP QIKAHPWTKV FRPRTPPEAI ALCSRLLEYT DATA SEQUENCE PTARLTPLEA CAHSFFDELR DPNVKLPNGR DTPALFNFTT QELSSNPPLA DATA SEQUENCE TILIPPHARI Q 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 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.591 174.600 -0.016 0.000 1.055 25 S CA 0.000 58.221 58.200 0.034 0.000 1.107 25 S CB 0.000 63.206 63.200 0.009 0.000 0.593 26 M N 0.684 120.265 119.600 -0.031 0.000 2.619 26 M HA 0.832 5.313 4.480 0.001 0.000 0.297 26 M C -1.828 174.414 176.300 -0.098 0.000 1.229 26 M CA -0.561 54.679 55.300 -0.101 0.000 0.860 26 M CB 1.955 34.496 32.600 -0.098 0.000 1.741 26 M HN 0.538 nan 8.290 nan 0.000 0.462 27 K N 1.842 122.158 120.400 -0.139 0.000 2.324 27 K HA 0.733 5.054 4.320 0.001 0.000 0.253 27 K C -1.514 175.000 176.600 -0.143 0.000 0.932 27 K CA -0.878 55.338 56.287 -0.118 0.000 0.799 27 K CB 3.021 35.456 32.500 -0.109 0.000 1.154 27 K HN 0.584 nan 8.250 nan 0.000 0.425 28 V N 1.783 121.630 119.914 -0.112 0.000 2.581 28 V HA 0.658 4.778 4.120 0.001 0.000 0.303 28 V C 0.183 176.220 176.094 -0.095 0.000 1.041 28 V CA -0.201 62.030 62.300 -0.116 0.000 0.907 28 V CB 1.227 32.996 31.823 -0.091 0.000 0.994 28 V HN 1.085 nan 8.190 nan 0.000 0.442 29 S N 2.778 118.418 115.700 -0.100 0.000 2.971 29 S HA 1.077 5.548 4.470 0.001 0.000 0.320 29 S C -0.029 174.529 174.600 -0.069 0.000 1.111 29 S CA -0.188 57.965 58.200 -0.079 0.000 0.870 29 S CB 1.575 64.725 63.200 -0.084 0.000 1.331 29 S HN 1.188 nan 8.310 nan 0.000 0.635 34 G N -0.995 107.796 108.800 -0.015 0.000 2.176 34 G HA2 0.298 4.259 3.960 0.001 0.000 0.253 34 G HA3 0.298 4.259 3.960 0.001 0.000 0.253 34 G C 0.893 175.782 174.900 -0.018 0.000 0.979 34 G CA 1.167 46.257 45.100 -0.016 0.000 0.641 34 G HN 1.977 nan 8.290 nan 0.000 0.530 35 S N 0.346 116.035 115.700 -0.019 0.000 2.533 35 S HA 0.554 5.025 4.470 0.001 0.000 0.282 35 S C 0.533 175.114 174.600 -0.031 0.000 1.304 35 S CA 0.844 59.032 58.200 -0.020 0.000 1.063 35 S CB 0.437 nan 63.200 nan 0.000 0.881 35 S HN 0.692 nan 8.310 nan 0.000 0.493 36 K N 2.866 123.247 120.400 -0.031 0.000 2.339 36 K HA 0.448 4.769 4.320 0.001 0.000 0.286 36 K C -1.209 175.348 176.600 -0.072 0.000 1.050 36 K CA -0.231 56.026 56.287 -0.049 0.000 0.956 36 K CB 0.342 32.818 32.500 -0.040 0.000 0.990 36 K HN 0.426 nan 8.250 nan 0.000 0.475 37 V N 3.614 123.463 119.914 -0.107 0.000 2.540 37 V HA 0.258 4.379 4.120 0.001 0.000 0.302 37 V C -0.420 175.520 176.094 -0.257 0.000 1.035 37 V CA -0.809 61.392 62.300 -0.165 0.000 0.873 37 V CB 2.037 33.779 31.823 -0.134 0.000 0.992 37 V HN 0.832 nan 8.190 nan 0.000 0.428 38 T N 3.088 117.365 114.554 -0.462 0.000 2.779 38 T HA 0.506 4.856 4.350 0.001 0.000 0.280 38 T C -0.121 174.181 174.700 -0.663 0.000 0.987 38 T CA -0.298 61.438 62.100 -0.607 0.000 0.966 38 T CB 1.243 69.619 68.868 -0.820 0.000 0.933 38 T HN 0.703 nan 8.240 nan 0.000 0.442 39 T N 3.226 117.523 114.554 -0.428 0.000 2.792 39 T HA 0.652 5.002 4.350 0.001 0.000 0.280 39 T C -0.052 174.438 174.700 -0.350 0.000 0.990 39 T CA -0.689 61.198 62.100 -0.355 0.000 0.960 39 T CB 1.059 69.786 68.868 -0.236 0.000 0.939 39 T HN 0.581 nan 8.240 nan 0.000 0.439 40 V N 0.629 120.298 119.914 -0.408 0.000 3.001 40 V HA 0.868 4.989 4.120 0.001 0.000 0.314 40 V C -0.671 175.195 176.094 -0.380 0.000 1.099 40 V CA -1.032 60.985 62.300 -0.472 0.000 0.989 40 V CB 1.966 33.202 31.823 -0.978 0.000 1.040 40 V HN 0.547 nan 8.190 nan 0.000 0.434 41 V N 2.465 122.201 119.914 -0.296 0.000 2.350 41 V HA 0.839 4.959 4.120 0.001 0.000 0.276 41 V C 0.589 176.554 176.094 -0.216 0.000 1.028 41 V CA 0.412 62.581 62.300 -0.218 0.000 0.860 41 V CB 0.681 32.428 31.823 -0.127 0.000 0.990 41 V HN 1.397 nan 8.190 nan 0.000 0.453 42 A N 3.761 126.431 122.820 -0.249 0.000 2.354 42 A HA 0.862 5.183 4.320 0.001 0.000 0.321 42 A C 0.009 177.505 177.584 -0.148 0.000 1.125 42 A CA -0.598 51.332 52.037 -0.179 0.000 0.799 42 A CB 1.478 20.364 19.000 -0.190 0.000 1.293 42 A HN 0.633 nan 8.150 nan 0.000 0.452 43 T N 3.245 117.631 114.554 -0.279 0.000 2.806 43 T HA 0.502 4.853 4.350 0.001 0.000 0.290 43 T C -2.615 172.064 174.700 -0.034 0.000 0.966 43 T CA -0.823 61.094 62.100 -0.306 0.000 1.060 43 T CB 0.939 69.321 68.868 -0.809 0.000 0.927 43 T HN 0.381 nan 8.240 nan 0.000 0.485 44 P HA 0.112 nan 4.420 nan 0.000 0.265 44 P C 1.171 178.551 177.300 0.133 0.000 1.193 44 P CA 0.026 63.204 63.100 0.131 0.000 0.765 44 P CB 0.420 32.168 31.700 0.080 0.000 0.823 45 G N 2.707 111.547 108.800 0.067 0.000 2.422 45 G HA2 -0.151 3.810 3.960 0.001 0.000 0.218 45 G HA3 -0.151 3.810 3.960 0.001 0.000 0.218 45 G C 0.214 175.165 174.900 0.085 0.000 1.146 45 G CA 0.526 45.713 45.100 0.146 0.000 0.769 45 G HN 0.665 nan 8.290 nan 0.000 0.547 46 Q N -1.197 118.618 119.800 0.025 0.000 2.413 46 Q HA 0.573 4.914 4.340 0.001 0.000 0.276 46 Q C 0.041 176.057 176.000 0.028 0.000 1.099 46 Q CA -0.442 55.373 55.803 0.020 0.000 0.814 46 Q CB 2.270 31.003 28.738 -0.009 0.000 1.379 46 Q HN 0.769 nan 8.270 nan 0.000 0.436 47 G N 1.655 110.476 108.800 0.035 0.000 2.660 47 G HA2 -0.121 3.840 3.960 0.001 0.000 0.247 47 G HA3 -0.121 3.840 3.960 0.001 0.000 0.247 47 G C -2.534 172.396 174.900 0.051 0.000 1.328 47 G CA -0.562 44.560 45.100 0.037 0.000 0.884 47 G HN 0.732 nan 8.290 nan 0.000 0.531 48 P HA 0.331 nan 4.420 nan 0.000 0.268 48 P C -0.670 176.665 177.300 0.057 0.000 1.205 48 P CA -0.070 63.059 63.100 0.049 0.000 0.771 48 P CB 0.756 32.479 31.700 0.039 0.000 0.858 49 D N 2.499 122.937 120.400 0.062 0.000 2.385 49 D HA 0.003 4.643 4.640 0.001 0.000 0.260 49 D C 0.147 176.472 176.300 0.042 0.000 1.326 49 D CA 0.009 54.046 54.000 0.061 0.000 1.023 49 D CB -0.304 40.538 40.800 0.070 0.000 1.083 49 D HN 0.294 nan 8.370 nan 0.000 0.517 50 R N 3.637 124.162 120.500 0.041 0.000 2.415 50 R HA 0.435 4.776 4.340 0.001 0.000 0.292 50 R C -2.696 173.620 176.300 0.027 0.000 1.295 50 R CA -1.689 54.431 56.100 0.033 0.000 1.137 50 R CB 1.045 31.368 30.300 0.038 0.000 1.135 50 R HN 0.074 nan 8.270 nan 0.000 0.560 51 P HA -0.073 nan 4.420 nan 0.000 0.264 51 P C -1.042 176.239 177.300 -0.031 0.000 1.183 51 P CA 0.326 63.411 63.100 -0.025 0.000 0.763 51 P CB 0.669 32.349 31.700 -0.033 0.000 0.807 52 Q N 1.519 121.276 119.800 -0.072 0.000 2.365 52 Q HA 0.351 4.692 4.340 0.001 0.000 0.269 52 Q C -0.497 175.377 176.000 -0.210 0.000 1.061 52 Q CA -0.694 55.041 55.803 -0.113 0.000 0.816 52 Q CB 2.353 31.026 28.738 -0.109 0.000 1.325 52 Q HN 0.467 nan 8.270 nan 0.000 0.446 53 E N 1.408 121.501 120.200 -0.177 0.000 2.130 53 E HA 0.374 4.725 4.350 0.001 0.000 0.284 53 E C -1.066 175.390 176.600 -0.240 0.000 1.018 53 E CA -0.350 55.930 56.400 -0.200 0.000 0.817 53 E CB 1.154 30.771 29.700 -0.139 0.000 1.078 53 E HN 0.225 nan 8.360 nan 0.000 0.396 54 V N 3.126 122.857 119.914 -0.305 0.000 2.448 54 V HA 0.319 4.440 4.120 0.001 0.000 0.295 54 V C -0.250 175.728 176.094 -0.193 0.000 1.025 54 V CA -0.672 61.468 62.300 -0.267 0.000 0.859 54 V CB 1.932 33.516 31.823 -0.398 0.000 0.988 54 V HN 0.549 nan 8.190 nan 0.000 0.431 55 S N 4.110 119.739 115.700 -0.119 0.000 2.478 55 S HA 0.817 5.288 4.470 0.001 0.000 0.312 55 S C -1.135 173.440 174.600 -0.042 0.000 1.094 55 S CA -0.532 57.567 58.200 -0.167 0.000 1.081 55 S CB 1.055 64.171 63.200 -0.140 0.000 1.007 55 S HN 0.726 nan 8.310 nan 0.000 0.475 56 Y N -0.249 120.004 120.300 -0.079 0.000 2.609 56 Y HA 0.903 5.453 4.550 0.001 0.000 0.342 56 Y C -0.147 175.725 175.900 -0.047 0.000 1.058 56 Y CA -0.959 57.114 58.100 -0.046 0.000 1.055 56 Y CB 1.159 39.605 38.460 -0.024 0.000 1.292 56 Y HN 0.478 nan 8.280 nan 0.000 0.476 57 T N -0.816 113.853 114.554 0.193 0.000 2.647 57 T HA 0.375 4.726 4.350 0.001 0.000 0.295 57 T C -1.449 173.319 174.700 0.113 0.000 1.126 57 T CA -0.118 62.041 62.100 0.098 0.000 1.040 57 T CB 0.703 69.581 68.868 0.017 0.000 1.472 57 T HN 0.827 nan 8.240 nan 0.000 0.500 58 D N 1.439 121.875 120.400 0.060 0.000 2.708 58 D HA -0.116 4.525 4.640 0.001 0.000 0.236 58 D C 0.251 176.580 176.300 0.049 0.000 1.146 58 D CA 1.466 55.491 54.000 0.041 0.000 0.662 58 D CB -1.768 39.044 40.800 0.020 0.000 1.059 58 D HN 0.822 nan 8.370 nan 0.000 0.428 59 T N -1.444 113.156 114.554 0.077 0.000 2.907 59 T HA 0.451 4.802 4.350 0.001 0.000 0.298 59 T C 0.276 175.043 174.700 0.111 0.000 1.017 59 T CA -0.384 61.767 62.100 0.085 0.000 1.118 59 T CB 2.304 71.205 68.868 0.056 0.000 0.948 59 T HN 0.432 nan 8.240 nan 0.000 0.531 60 K N 1.179 121.674 120.400 0.158 0.000 2.546 60 K HA 0.492 4.812 4.320 0.001 0.000 0.264 60 K C -1.543 175.150 176.600 0.156 0.000 0.937 60 K CA -1.115 55.261 56.287 0.148 0.000 0.833 60 K CB 1.748 34.285 32.500 0.062 0.000 1.378 60 K HN 0.400 nan 8.250 nan 0.000 0.432 61 V N 4.054 124.016 119.914 0.080 0.000 2.585 61 V HA 0.052 4.173 4.120 0.001 0.000 0.296 61 V C 1.269 177.327 176.094 -0.059 0.000 1.035 61 V CA 0.131 62.368 62.300 -0.104 0.000 1.084 61 V CB 0.280 32.025 31.823 -0.131 0.000 0.953 61 V HN 0.847 nan 8.190 nan 0.000 0.483 62 I N 1.418 121.940 120.570 -0.081 0.000 4.327 62 I HA 0.724 4.895 4.170 0.001 0.000 0.331 62 I C 0.664 176.761 176.117 -0.033 0.000 1.348 62 I CA 0.192 61.486 61.300 -0.010 0.000 1.152 62 I CB 0.803 38.847 38.000 0.073 0.000 1.151 62 I HN 0.655 nan 8.210 nan 0.000 0.410 63 G N 0.579 109.322 108.800 -0.095 0.000 2.451 63 G HA2 0.487 4.448 3.960 0.001 0.000 0.292 63 G HA3 0.487 4.448 3.960 0.001 0.000 0.292 63 G C -2.257 172.570 174.900 -0.122 0.000 1.427 63 G CA -0.743 44.304 45.100 -0.088 0.000 0.792 63 G HN 0.238 nan 8.290 nan 0.000 0.498 64 N N -1.871 116.773 118.700 -0.094 0.000 2.647 64 N HA 0.837 5.578 4.740 0.001 0.000 0.266 64 N C -0.130 175.339 175.510 -0.068 0.000 1.373 64 N CA -0.071 52.928 53.050 -0.085 0.000 0.807 64 N CB 2.628 41.070 38.487 -0.074 0.000 1.513 64 N HN 1.131 nan 8.380 nan 0.000 0.505 65 G N -1.046 107.720 108.800 -0.056 0.000 2.430 65 G HA2 0.287 4.247 3.960 0.001 0.000 0.300 65 G HA3 0.287 4.247 3.960 0.001 0.000 0.300 65 G C -1.518 173.339 174.900 -0.071 0.000 1.330 65 G CA -0.661 44.404 45.100 -0.058 0.000 0.813 65 G HN 0.376 nan 8.290 nan 0.000 0.487 66 S N 0.311 115.949 115.700 -0.103 0.000 2.506 66 S HA 0.346 4.816 4.470 0.001 0.000 0.291 66 S C 0.131 174.672 174.600 -0.099 0.000 1.230 66 S CA 0.447 58.498 58.200 -0.249 0.000 1.107 66 S CB -0.569 62.477 63.200 -0.257 0.000 0.942 66 S HN 1.036 nan 8.310 nan 0.000 0.502 67 F N 0.226 120.198 119.950 0.037 0.000 2.926 67 F HA -0.182 4.345 4.527 0.001 0.000 0.288 67 F C 0.953 176.810 175.800 0.095 0.000 0.756 67 F CA 0.921 58.956 58.000 0.059 0.000 1.292 67 F CB -1.814 37.211 39.000 0.043 0.000 1.482 67 F HN 0.757 nan 8.300 nan 0.000 0.400 68 G N -1.530 107.386 108.800 0.192 0.000 2.561 68 G HA2 0.704 4.665 3.960 0.001 0.000 0.310 68 G HA3 0.704 4.665 3.960 0.001 0.000 0.310 68 G C -1.606 173.326 174.900 0.055 0.000 1.292 68 G CA -0.060 45.141 45.100 0.168 0.000 0.811 68 G HN 0.407 nan 8.290 nan 0.000 0.482 69 V N -0.815 119.105 119.914 0.010 0.000 3.012 69 V HA 0.658 4.778 4.120 0.001 0.000 0.307 69 V C -0.603 175.355 176.094 -0.226 0.000 1.166 69 V CA -0.757 61.441 62.300 -0.171 0.000 0.974 69 V CB 1.915 33.545 31.823 -0.321 0.000 1.040 69 V HN 0.765 nan 8.190 nan 0.000 0.428 70 V N 2.973 122.709 119.914 -0.296 0.000 2.417 70 V HA 0.568 4.688 4.120 0.001 0.000 0.291 70 V C -1.108 174.786 176.094 -0.333 0.000 1.024 70 V CA -0.647 61.540 62.300 -0.188 0.000 0.861 70 V CB 1.245 33.032 31.823 -0.060 0.000 0.985 70 V HN 0.750 nan 8.190 nan 0.000 0.436 71 Y N 1.991 122.293 120.300 0.004 0.000 2.528 71 Y HA 0.567 5.118 4.550 0.001 0.000 0.335 71 Y C 0.301 176.186 175.900 -0.024 0.000 1.093 71 Y CA -0.628 57.465 58.100 -0.013 0.000 1.134 71 Y CB 1.601 40.041 38.460 -0.033 0.000 1.253 71 Y HN 0.566 nan 8.280 nan 0.000 0.478 72 Q N 1.483 121.348 119.800 0.108 0.000 2.235 72 Q HA 0.837 5.178 4.340 0.001 0.000 0.256 72 Q C -1.521 174.458 176.000 -0.035 0.000 0.951 72 Q CA -0.779 54.994 55.803 -0.049 0.000 0.890 72 Q CB 1.637 30.240 28.738 -0.226 0.000 1.279 72 Q HN 0.851 nan 8.270 nan 0.000 0.444 73 A N 3.145 125.911 122.820 -0.089 0.000 2.594 73 A HA 0.569 4.890 4.320 0.001 0.000 0.291 73 A C -1.781 175.783 177.584 -0.034 0.000 1.105 73 A CA -0.770 51.236 52.037 -0.052 0.000 0.694 73 A CB 1.941 20.835 19.000 -0.176 0.000 1.291 73 A HN 0.651 nan 8.150 nan 0.000 0.410 74 K N 1.745 122.167 120.400 0.036 0.000 2.307 74 K HA 0.558 4.879 4.320 0.001 0.000 0.263 74 K C -1.186 175.473 176.600 0.097 0.000 0.973 74 K CA -0.514 55.797 56.287 0.040 0.000 0.846 74 K CB 0.810 33.322 32.500 0.021 0.000 1.100 74 K HN 0.705 nan 8.250 nan 0.000 0.438 75 L N 4.884 126.161 121.223 0.090 0.000 2.477 75 L HA -0.021 4.320 4.340 0.001 0.000 0.272 75 L C 1.615 178.525 176.870 0.066 0.000 1.157 75 L CA -0.666 54.237 54.840 0.105 0.000 0.889 75 L CB 0.453 42.571 42.059 0.100 0.000 1.158 75 L HN 0.929 nan 8.230 nan 0.000 0.473 76 C N 1.943 121.274 119.300 0.052 0.000 2.349 76 C HA -0.228 4.233 4.460 0.001 0.000 0.274 76 C C 2.231 177.229 174.990 0.013 0.000 1.178 76 C CA 1.092 60.120 59.018 0.016 0.000 1.769 76 C CB -0.577 27.154 27.740 -0.015 0.000 2.047 76 C HN 0.878 nan 8.230 nan 0.000 0.448 77 D N 0.557 120.966 120.400 0.015 0.000 2.103 77 D HA -0.066 4.575 4.640 0.001 0.000 0.199 77 D C 2.301 178.614 176.300 0.021 0.000 0.978 77 D CA 1.887 55.895 54.000 0.013 0.000 0.829 77 D CB -0.672 40.133 40.800 0.009 0.000 0.981 77 D HN 0.632 nan 8.370 nan 0.000 0.464 78 S N -0.617 115.103 115.700 0.033 0.000 2.470 78 S HA 0.196 4.666 4.470 0.001 0.000 0.225 78 S C 1.915 176.535 174.600 0.033 0.000 1.006 78 S CA 0.850 59.071 58.200 0.035 0.000 0.934 78 S CB 0.232 63.459 63.200 0.045 0.000 0.778 78 S HN 0.358 nan 8.310 nan 0.000 0.517 79 G N 1.021 109.841 108.800 0.034 0.000 2.184 79 G HA2 -0.310 3.651 3.960 0.001 0.000 0.264 79 G HA3 -0.310 3.651 3.960 0.001 0.000 0.264 79 G C -0.143 174.777 174.900 0.034 0.000 0.975 79 G CA 0.362 45.480 45.100 0.029 0.000 0.642 79 G HN 0.637 nan 8.290 nan 0.000 0.536 80 E N 0.075 120.302 120.200 0.046 0.000 2.384 80 E HA 0.419 4.770 4.350 0.001 0.000 0.266 80 E C 0.775 177.407 176.600 0.053 0.000 1.012 80 E CA -0.406 56.028 56.400 0.056 0.000 0.901 80 E CB 0.257 29.997 29.700 0.067 0.000 0.967 80 E HN 0.382 nan 8.360 nan 0.000 0.435 81 L N 4.491 125.746 121.223 0.053 0.000 2.350 81 L HA 0.345 4.686 4.340 0.001 0.000 0.275 81 L C 0.014 176.939 176.870 0.092 0.000 1.099 81 L CA -0.585 54.261 54.840 0.009 0.000 0.808 81 L CB 0.909 42.916 42.059 -0.087 0.000 1.149 81 L HN 0.356 nan 8.230 nan 0.000 0.442 82 V N -0.174 119.773 119.914 0.055 0.000 3.160 82 V HA 0.952 5.072 4.120 0.001 0.000 0.310 82 V C -0.488 175.672 176.094 0.111 0.000 1.181 82 V CA -0.893 61.479 62.300 0.119 0.000 1.047 82 V CB 1.782 33.656 31.823 0.085 0.000 1.068 82 V HN 0.792 nan 8.190 nan 0.000 0.441 83 A N 1.949 124.863 122.820 0.157 0.000 2.330 83 A HA 0.912 5.233 4.320 0.001 0.000 0.327 83 A C -0.643 176.996 177.584 0.090 0.000 1.155 83 A CA -0.723 51.405 52.037 0.152 0.000 0.803 83 A CB 0.851 19.970 19.000 0.197 0.000 1.208 83 A HN 0.897 nan 8.150 nan 0.000 0.477 84 I N 2.161 122.785 120.570 0.091 0.000 2.382 84 I HA 0.289 4.460 4.170 0.001 0.000 0.285 84 I C 0.061 176.260 176.117 0.136 0.000 1.007 84 I CA -0.388 60.956 61.300 0.075 0.000 1.142 84 I CB 1.670 39.665 38.000 -0.009 0.000 1.289 84 I HN 0.681 nan 8.210 nan 0.000 0.453 85 K N 7.510 127.955 120.400 0.074 0.000 2.267 85 K HA 0.295 4.616 4.320 0.001 0.000 0.282 85 K C -0.541 176.096 176.600 0.062 0.000 1.078 85 K CA -0.537 55.791 56.287 0.069 0.000 0.903 85 K CB 0.840 33.370 32.500 0.051 0.000 1.111 85 K HN 0.478 nan 8.250 nan 0.000 0.475 86 K N 4.750 125.224 120.400 0.124 0.000 2.339 86 K HA 0.244 4.564 4.320 0.001 0.000 0.264 86 K C -0.896 175.829 176.600 0.208 0.000 0.986 86 K CA -0.772 55.601 56.287 0.143 0.000 0.866 86 K CB 1.148 33.770 32.500 0.204 0.000 1.103 86 K HN 0.448 nan 8.250 nan 0.000 0.441 87 V N 1.782 121.826 119.914 0.218 0.000 2.914 87 V HA 0.502 4.623 4.120 0.001 0.000 0.314 87 V C -0.482 175.741 176.094 0.217 0.000 1.084 87 V CA -1.403 61.041 62.300 0.240 0.000 0.963 87 V CB 1.473 33.388 31.823 0.153 0.000 1.025 87 V HN 0.718 nan 8.190 nan 0.000 0.432 88 L N 2.495 123.770 121.223 0.087 0.000 2.499 88 L HA 0.357 4.697 4.340 0.001 0.000 0.273 88 L C 0.270 177.025 176.870 -0.192 0.000 1.195 88 L CA 0.794 55.456 54.840 -0.297 0.000 0.882 88 L CB 0.653 42.533 42.059 -0.298 0.000 1.133 88 L HN 1.026 nan 8.230 nan 0.000 0.483 89 Q N 3.591 123.264 119.800 -0.212 0.000 2.303 89 Q HA 0.209 4.549 4.340 0.001 0.000 0.257 89 Q C -0.968 174.965 176.000 -0.110 0.000 0.941 89 Q CA -0.279 55.486 55.803 -0.064 0.000 0.931 89 Q CB 0.901 29.682 28.738 0.071 0.000 1.215 89 Q HN 0.587 nan 8.270 nan 0.000 0.437 90 D N 3.345 123.704 120.400 -0.068 0.000 2.371 90 D HA 0.036 4.676 4.640 0.001 0.000 0.256 90 D C -0.061 176.189 176.300 -0.082 0.000 1.193 90 D CA 0.179 54.137 54.000 -0.069 0.000 0.881 90 D CB 0.925 41.749 40.800 0.040 0.000 1.143 90 D HN 0.610 nan 8.370 nan 0.000 0.473 91 K N 2.472 122.789 120.400 -0.138 0.000 2.442 91 K HA -0.025 4.295 4.320 0.001 0.000 0.198 91 K C 1.670 178.126 176.600 -0.240 0.000 1.042 91 K CA 0.672 56.862 56.287 -0.160 0.000 0.958 91 K CB 0.409 32.822 32.500 -0.144 0.000 0.766 91 K HN 0.324 nan 8.250 nan 0.000 0.474 92 R N -0.518 119.742 120.500 -0.401 0.000 2.173 92 R HA 0.096 4.436 4.340 0.001 0.000 0.208 92 R C -0.034 175.734 176.300 -0.888 0.000 1.035 92 R CA 0.607 56.242 56.100 -0.775 0.000 1.004 92 R CB 0.271 29.839 30.300 -1.219 0.000 0.917 92 R HN 0.026 nan 8.270 nan 0.000 0.462 93 F N -0.777 119.150 119.950 -0.037 0.000 2.692 93 F HA 0.424 4.951 4.527 0.001 0.000 0.320 93 F C -0.086 175.701 175.800 -0.021 0.000 1.123 93 F CA -1.576 56.408 58.000 -0.027 0.000 0.961 93 F CB 0.656 39.643 39.000 -0.022 0.000 1.383 93 F HN -0.500 nan 8.300 nan 0.000 0.483 94 K N 1.358 121.884 120.400 0.210 0.000 2.237 94 K HA 0.111 4.431 4.320 0.001 0.000 0.270 94 K C -0.411 176.248 176.600 0.099 0.000 1.015 94 K CA -0.401 55.957 56.287 0.118 0.000 0.949 94 K CB 0.841 33.385 32.500 0.075 0.000 0.976 94 K HN 0.639 nan 8.250 nan 0.000 0.472 95 N N 2.581 121.322 118.700 0.068 0.000 2.452 95 N HA -0.047 4.694 4.740 0.001 0.000 0.266 95 N C 0.943 176.442 175.510 -0.019 0.000 1.209 95 N CA 0.329 53.397 53.050 0.031 0.000 0.929 95 N CB 0.584 39.087 38.487 0.025 0.000 1.063 95 N HN 0.502 nan 8.380 nan 0.000 0.472 96 R N 3.456 123.943 120.500 -0.022 0.000 2.096 96 R HA -0.153 4.187 4.340 0.001 0.000 0.235 96 R C 1.729 178.003 176.300 -0.044 0.000 1.127 96 R CA 1.571 57.646 56.100 -0.041 0.000 0.968 96 R CB -0.042 30.231 30.300 -0.045 0.000 0.861 96 R HN 0.751 nan 8.270 nan 0.000 0.440 97 E N 0.136 120.321 120.200 -0.025 0.000 2.077 97 E HA -0.231 4.120 4.350 0.001 0.000 0.193 97 E C 1.902 178.450 176.600 -0.088 0.000 0.989 97 E CA 1.311 57.701 56.400 -0.015 0.000 0.800 97 E CB -0.093 29.619 29.700 0.020 0.000 0.746 97 E HN 0.312 nan 8.360 nan 0.000 0.452 98 L N 1.201 122.350 121.223 -0.125 0.000 2.017 98 L HA -0.215 4.126 4.340 0.001 0.000 0.208 98 L C 2.216 178.940 176.870 -0.243 0.000 1.073 98 L CA 1.865 56.565 54.840 -0.233 0.000 0.745 98 L CB -0.517 41.353 42.059 -0.314 0.000 0.894 98 L HN 0.161 nan 8.230 nan 0.000 0.432 99 Q N -0.495 119.197 119.800 -0.179 0.000 2.135 99 Q HA -0.212 4.128 4.340 0.001 0.000 0.204 99 Q C 2.318 178.219 176.000 -0.164 0.000 0.981 99 Q CA 2.104 57.814 55.803 -0.155 0.000 0.856 99 Q CB -0.293 28.384 28.738 -0.101 0.000 0.902 99 Q HN 0.593 nan 8.270 nan 0.000 0.425 100 I N 0.215 120.689 120.570 -0.159 0.000 2.252 100 I HA -0.255 3.916 4.170 0.001 0.000 0.245 100 I C 2.346 178.290 176.117 -0.288 0.000 1.102 100 I CA 1.022 62.208 61.300 -0.191 0.000 1.385 100 I CB -0.127 37.800 38.000 -0.120 0.000 1.064 100 I HN 0.284 nan 8.210 nan 0.000 0.414 101 M N -0.326 119.090 119.600 -0.306 0.000 2.296 101 M HA -0.142 4.339 4.480 0.001 0.000 0.265 101 M C 2.292 178.454 176.300 -0.230 0.000 1.064 101 M CA 1.392 56.487 55.300 -0.342 0.000 1.109 101 M CB -0.398 32.028 32.600 -0.290 0.000 1.396 101 M HN 0.167 nan 8.290 nan 0.000 0.430 102 R N 0.482 120.863 120.500 -0.200 0.000 2.148 102 R HA -0.091 4.249 4.340 0.001 0.000 0.227 102 R C 1.760 177.985 176.300 -0.126 0.000 1.103 102 R CA 0.982 57.001 56.100 -0.135 0.000 0.983 102 R CB -0.069 30.151 30.300 -0.133 0.000 0.874 102 R HN 0.421 nan 8.270 nan 0.000 0.451 103 K N 0.238 120.526 120.400 -0.187 0.000 2.418 103 K HA 0.104 4.424 4.320 0.001 0.000 0.195 103 K C 0.407 176.886 176.600 -0.202 0.000 1.035 103 K CA 0.329 56.477 56.287 -0.232 0.000 1.003 103 K CB 0.237 32.508 32.500 -0.382 0.000 0.793 103 K HN 0.088 nan 8.250 nan 0.000 0.494 104 L N 1.555 122.694 121.223 -0.139 0.000 2.334 104 L HA 0.250 4.591 4.340 0.001 0.000 0.277 104 L C -0.559 176.348 176.870 0.062 0.000 1.075 104 L CA -0.548 54.316 54.840 0.040 0.000 0.804 104 L CB 0.725 42.755 42.059 -0.049 0.000 1.174 104 L HN -0.033 nan 8.230 nan 0.000 0.438 105 D N 1.731 122.213 120.400 0.137 0.000 2.351 105 D HA 0.257 4.897 4.640 0.001 0.000 0.235 105 D C -1.214 174.984 176.300 -0.169 0.000 1.331 105 D CA -0.211 53.789 54.000 0.000 0.000 0.959 105 D CB 0.600 41.426 40.800 0.042 0.000 1.432 105 D HN 0.482 nan 8.370 nan 0.000 0.544 106 H N 2.210 121.081 119.070 -0.332 0.000 2.974 106 H HA 0.190 4.747 4.556 0.001 0.000 0.366 106 H C 1.293 176.476 175.328 -0.241 0.000 1.155 106 H CA -0.507 55.265 56.048 -0.460 0.000 1.186 106 H CB 1.770 31.043 29.762 -0.815 0.000 1.799 106 H HN 0.501 nan 8.280 nan 0.000 0.541 107 C N 2.062 121.054 119.300 -0.514 0.000 2.419 107 C HA 0.028 4.489 4.460 0.001 0.000 0.283 107 C C 1.007 175.943 174.990 -0.089 0.000 1.373 107 C CA 0.700 59.548 59.018 -0.284 0.000 1.781 107 C CB -1.378 26.150 27.740 -0.355 0.000 1.886 107 C HN 0.643 nan 8.230 nan 0.000 0.520 108 N N 0.487 119.271 118.700 0.140 0.000 2.321 108 N HA 0.486 5.227 4.740 0.001 0.000 0.242 108 N C -0.678 174.920 175.510 0.146 0.000 1.141 108 N CA -0.061 53.085 53.050 0.160 0.000 0.864 108 N CB 0.265 38.852 38.487 0.167 0.000 1.100 108 N HN 0.564 nan 8.380 nan 0.000 0.510 109 I N 0.289 120.943 120.570 0.140 0.000 2.569 109 I HA 0.205 4.376 4.170 0.001 0.000 0.290 109 I C -0.266 175.913 176.117 0.103 0.000 1.088 109 I CA -1.160 60.237 61.300 0.162 0.000 1.047 109 I CB 2.421 40.549 38.000 0.213 0.000 1.237 109 I HN -0.201 nan 8.210 nan 0.000 0.421 110 V N 6.418 126.409 119.914 0.129 0.000 2.599 110 V HA 0.049 4.170 4.120 0.001 0.000 0.300 110 V C 0.560 176.681 176.094 0.045 0.000 1.034 110 V CA 0.289 62.633 62.300 0.073 0.000 1.115 110 V CB 0.797 32.671 31.823 0.085 0.000 0.934 110 V HN 0.736 nan 8.190 nan 0.000 0.485 111 R N 5.009 125.516 120.500 0.011 0.000 2.340 111 R HA 0.329 4.670 4.340 0.001 0.000 0.300 111 R C -0.549 175.742 176.300 -0.015 0.000 1.069 111 R CA -0.691 55.399 56.100 -0.016 0.000 0.984 111 R CB 0.728 31.009 30.300 -0.030 0.000 1.003 111 R HN 0.682 nan 8.270 nan 0.000 0.459 112 L N 5.712 126.914 121.223 -0.035 0.000 2.363 112 L HA 0.209 4.549 4.340 0.001 0.000 0.286 112 L C 0.701 177.542 176.870 -0.049 0.000 1.106 112 L CA 0.478 55.308 54.840 -0.018 0.000 0.859 112 L CB 0.511 42.553 42.059 -0.028 0.000 1.223 112 L HN 0.738 nan 8.230 nan 0.000 0.446 113 R N 3.442 123.898 120.500 -0.074 0.000 2.062 113 R HA 0.111 4.452 4.340 0.001 0.000 0.226 113 R C -0.433 175.552 176.300 -0.526 0.000 1.125 113 R CA 1.347 57.263 56.100 -0.308 0.000 0.966 113 R CB 0.066 30.220 30.300 -0.243 0.000 0.861 113 R HN 0.539 nan 8.270 nan 0.000 0.433 114 Y N -1.935 118.442 120.300 0.128 0.000 2.655 114 Y HA 0.385 4.935 4.550 0.001 0.000 0.336 114 Y C -0.970 175.073 175.900 0.238 0.000 1.154 114 Y CA -1.757 56.428 58.100 0.141 0.000 1.055 114 Y CB 1.518 40.047 38.460 0.115 0.000 1.295 114 Y HN -0.074 nan 8.280 nan 0.000 0.465 115 F N 0.613 120.718 119.950 0.259 0.000 2.619 115 F HA 0.887 5.415 4.527 0.001 0.000 0.308 115 F C -1.774 174.098 175.800 0.120 0.000 1.097 115 F CA -1.714 56.320 58.000 0.058 0.000 0.953 115 F CB 1.800 40.749 39.000 -0.084 0.000 1.287 115 F HN 0.346 nan 8.300 nan 0.000 0.446 116 F N -0.026 119.870 119.950 -0.090 0.000 2.686 116 F HA 0.761 5.289 4.527 0.001 0.000 0.311 116 F C -2.315 173.341 175.800 -0.240 0.000 1.128 116 F CA -1.888 56.003 58.000 -0.181 0.000 0.946 116 F CB 1.058 40.014 39.000 -0.074 0.000 1.336 116 F HN 0.533 nan 8.300 nan 0.000 0.457 117 Y N 1.254 121.745 120.300 0.319 0.000 2.419 117 Y HA 0.733 5.284 4.550 0.001 0.000 0.328 117 Y C 0.507 176.592 175.900 0.308 0.000 1.162 117 Y CA -0.055 58.180 58.100 0.225 0.000 1.174 117 Y CB 2.013 40.582 38.460 0.182 0.000 1.228 117 Y HN 0.935 nan 8.280 nan 0.000 0.473 118 S N -0.533 115.413 115.700 0.409 0.000 2.727 118 S HA 0.681 5.151 4.470 0.001 0.000 0.278 118 S C -0.867 173.926 174.600 0.321 0.000 1.186 118 S CA -0.827 57.577 58.200 0.340 0.000 0.836 118 S CB 0.830 64.240 63.200 0.350 0.000 1.186 118 S HN 0.717 nan 8.310 nan 0.000 0.499 119 S N -0.412 115.430 115.700 0.237 0.000 2.707 119 S HA 0.955 5.425 4.470 0.001 0.000 0.276 119 S C 0.477 175.137 174.600 0.099 0.000 1.179 119 S CA -0.129 58.223 58.200 0.252 0.000 0.992 119 S CB 0.789 64.080 63.200 0.151 0.000 1.030 119 S HN 1.792 nan 8.310 nan 0.000 0.554 120 G N -0.737 108.081 108.800 0.030 0.000 2.871 120 G HA2 0.565 4.526 3.960 0.001 0.000 0.282 120 G HA3 0.565 4.526 3.960 0.001 0.000 0.282 120 G C 0.500 175.330 174.900 -0.117 0.000 1.212 120 G CA 0.169 44.968 45.100 -0.501 0.000 0.812 120 G HN 0.860 nan 8.290 nan 0.000 0.547 121 E N -0.574 119.545 120.200 -0.136 0.000 2.012 121 E HA 0.148 4.499 4.350 0.001 0.000 0.197 121 E C 1.643 178.337 176.600 0.157 0.000 1.007 121 E CA 2.194 58.627 56.400 0.056 0.000 0.816 121 E CB -1.287 28.461 29.700 0.081 0.000 0.762 121 E HN 1.385 nan 8.360 nan 0.000 0.451 122 K N 1.286 121.856 120.400 0.283 0.000 2.307 122 K HA 0.547 4.868 4.320 0.001 0.000 0.285 122 K C 0.507 177.222 176.600 0.191 0.000 1.073 122 K CA 0.461 56.876 56.287 0.213 0.000 0.996 122 K CB -1.384 31.232 32.500 0.194 0.000 0.994 122 K HN 0.925 nan 8.250 nan 0.000 0.452 123 K N 1.038 121.513 120.400 0.124 0.000 2.550 123 K HA 0.387 4.708 4.320 0.001 0.000 0.280 123 K C 1.212 177.860 176.600 0.081 0.000 0.987 123 K CA 1.370 57.715 56.287 0.097 0.000 1.048 123 K CB -1.573 30.966 32.500 0.065 0.000 0.879 123 K HN 2.140 nan 8.250 nan 0.000 0.491 124 D N -0.225 120.222 120.400 0.079 0.000 2.911 124 D HA -0.136 4.504 4.640 0.001 0.000 0.199 124 D C 0.243 176.565 176.300 0.038 0.000 1.041 124 D CA 1.414 55.444 54.000 0.050 0.000 1.013 124 D CB -1.645 39.172 40.800 0.028 0.000 1.093 124 D HN 0.789 nan 8.370 nan 0.000 0.431 125 E N -0.561 119.675 120.200 0.059 0.000 2.283 125 E HA 0.641 4.991 4.350 0.001 0.000 0.271 125 E C 0.247 176.845 176.600 -0.003 0.000 1.031 125 E CA -0.513 55.868 56.400 -0.032 0.000 0.868 125 E CB 1.998 31.621 29.700 -0.128 0.000 1.094 125 E HN 0.529 nan 8.360 nan 0.000 0.401 126 V N 2.498 122.355 119.914 -0.094 0.000 2.539 126 V HA 0.278 4.399 4.120 0.001 0.000 0.292 126 V C -0.723 175.305 176.094 -0.111 0.000 1.045 126 V CA -0.515 61.796 62.300 0.019 0.000 0.945 126 V CB 0.507 32.340 31.823 0.016 0.000 0.993 126 V HN 0.509 nan 8.190 nan 0.000 0.464 127 Y N 3.299 123.690 120.300 0.151 0.000 2.409 127 Y HA 0.616 5.166 4.550 0.001 0.000 0.343 127 Y C -0.180 175.804 175.900 0.139 0.000 0.973 127 Y CA -0.817 57.358 58.100 0.126 0.000 1.064 127 Y CB 1.953 40.466 38.460 0.088 0.000 1.207 127 Y HN 0.533 nan 8.280 nan 0.000 0.452 128 L N 4.563 125.903 121.223 0.195 0.000 2.289 128 L HA 0.471 4.812 4.340 0.001 0.000 0.285 128 L C -0.942 175.850 176.870 -0.130 0.000 1.049 128 L CA -0.279 54.541 54.840 -0.034 0.000 0.804 128 L CB 0.553 42.608 42.059 -0.006 0.000 1.195 128 L HN 0.590 nan 8.230 nan 0.000 0.428 129 N N 6.455 124.914 118.700 -0.402 0.000 2.443 129 N HA 0.384 5.125 4.740 0.001 0.000 0.269 129 N C -1.394 173.900 175.510 -0.361 0.000 0.985 129 N CA -0.470 52.267 53.050 -0.521 0.000 0.921 129 N CB 1.871 39.556 38.487 -1.338 0.000 1.195 129 N HN 0.546 nan 8.380 nan 0.000 0.492 130 L N 2.410 123.549 121.223 -0.139 0.000 2.265 130 L HA 0.407 4.748 4.340 0.001 0.000 0.289 130 L C -0.049 176.842 176.870 0.034 0.000 1.033 130 L CA -0.932 53.900 54.840 -0.014 0.000 0.814 130 L CB 1.454 43.512 42.059 -0.001 0.000 1.203 130 L HN 0.125 nan 8.230 nan 0.000 0.423 131 V N 5.758 125.745 119.914 0.123 0.000 2.353 131 V HA 0.346 4.466 4.120 0.001 0.000 0.264 131 V C 0.301 176.468 176.094 0.123 0.000 1.049 131 V CA -0.131 62.265 62.300 0.160 0.000 0.896 131 V CB 0.837 32.851 31.823 0.319 0.000 1.025 131 V HN 0.534 nan 8.190 nan 0.000 0.475 132 L N 2.931 124.211 121.223 0.095 0.000 2.286 132 L HA 0.652 4.993 4.340 0.001 0.000 0.265 132 L C -0.023 176.899 176.870 0.086 0.000 1.012 132 L CA -1.098 53.786 54.840 0.074 0.000 0.818 132 L CB 1.315 43.417 42.059 0.072 0.000 1.337 132 L HN 0.365 nan 8.230 nan 0.000 0.438 133 D N -0.075 120.364 120.400 0.064 0.000 2.423 133 D HA 0.044 4.685 4.640 0.001 0.000 0.238 133 D C -0.925 175.440 176.300 0.109 0.000 1.142 133 D CA 0.331 54.376 54.000 0.075 0.000 0.884 133 D CB 0.707 41.525 40.800 0.029 0.000 1.199 133 D HN 0.239 nan 8.370 nan 0.000 0.438 134 Y N 1.438 121.750 120.300 0.020 0.000 2.320 134 Y HA 0.403 4.954 4.550 0.001 0.000 0.334 134 Y C -0.928 174.979 175.900 0.012 0.000 1.055 134 Y CA -0.549 57.562 58.100 0.019 0.000 1.143 134 Y CB 0.813 39.286 38.460 0.022 0.000 1.193 134 Y HN 0.039 nan 8.280 nan 0.000 0.477 135 V N 8.809 128.198 119.914 -0.876 0.000 2.604 135 V HA 0.321 4.442 4.120 0.001 0.000 0.305 135 V C -1.928 173.617 176.094 -0.914 0.000 1.043 135 V CA -1.705 60.215 62.300 -0.633 0.000 0.888 135 V CB 1.827 33.470 31.823 -0.301 0.000 0.995 135 V HN 0.726 nan 8.190 nan 0.000 0.429 136 P HA 0.052 nan 4.420 nan 0.000 0.221 136 P C 0.254 177.477 177.300 -0.128 0.000 1.150 136 P CA 1.079 64.022 63.100 -0.262 0.000 0.800 136 P CB 0.557 32.236 31.700 -0.035 0.000 0.787 137 E N -1.282 118.836 120.200 -0.136 0.000 2.423 137 E HA 0.471 4.822 4.350 0.001 0.000 0.269 137 E C -0.256 176.288 176.600 -0.093 0.000 0.948 137 E CA -0.332 56.028 56.400 -0.066 0.000 0.802 137 E CB 1.966 31.642 29.700 -0.040 0.000 1.339 137 E HN -0.057 nan 8.360 nan 0.000 0.445 138 T N -3.414 111.114 114.554 -0.044 0.000 2.906 138 T HA 0.369 4.719 4.350 0.001 0.000 0.295 138 T C 0.978 175.651 174.700 -0.046 0.000 1.075 138 T CA -0.668 61.401 62.100 -0.053 0.000 1.005 138 T CB 1.029 69.901 68.868 0.006 0.000 1.136 138 T HN 0.035 nan 8.240 nan 0.000 0.498 139 V N 0.937 120.800 119.914 -0.084 0.000 2.515 139 V HA -0.080 4.041 4.120 0.001 0.000 0.250 139 V C 2.055 178.165 176.094 0.026 0.000 1.058 139 V CA 1.737 63.992 62.300 -0.076 0.000 1.064 139 V CB -1.300 30.460 31.823 -0.104 0.000 0.675 139 V HN 0.901 nan 8.190 nan 0.000 0.461 140 Y N 1.550 121.811 120.300 -0.065 0.000 2.097 140 Y HA -0.288 4.263 4.550 0.001 0.000 0.282 140 Y C 2.703 178.585 175.900 -0.031 0.000 1.152 140 Y CA 2.028 60.107 58.100 -0.035 0.000 1.136 140 Y CB -0.201 38.234 38.460 -0.042 0.000 0.975 140 Y HN 0.105 nan 8.280 nan 0.000 0.498 141 R N -0.821 119.711 120.500 0.053 0.000 2.075 141 R HA -0.115 4.226 4.340 0.001 0.000 0.232 141 R C 2.252 178.514 176.300 -0.064 0.000 1.126 141 R CA 1.506 57.553 56.100 -0.088 0.000 0.963 141 R CB -0.652 29.685 30.300 0.062 0.000 0.858 141 R HN 0.257 nan 8.270 nan 0.000 0.435 142 V N 0.961 120.934 119.914 0.099 0.000 2.261 142 V HA -0.246 3.875 4.120 0.001 0.000 0.246 142 V C 2.394 178.619 176.094 0.219 0.000 1.047 142 V CA 2.032 64.474 62.300 0.236 0.000 1.015 142 V CB -0.735 31.184 31.823 0.160 0.000 0.642 142 V HN 0.435 nan 8.190 nan 0.000 0.446 143 A N -0.367 122.489 122.820 0.061 0.000 1.978 143 A HA -0.287 4.034 4.320 0.001 0.000 0.220 143 A C 2.395 179.982 177.584 0.005 0.000 1.170 143 A CA 2.215 54.272 52.037 0.033 0.000 0.636 143 A CB -0.588 18.398 19.000 -0.023 0.000 0.810 143 A HN 0.495 nan 8.150 nan 0.000 0.448 144 R N -1.610 118.795 120.500 -0.159 0.000 2.090 144 R HA -0.105 4.236 4.340 0.001 0.000 0.228 144 R C 1.980 178.201 176.300 -0.133 0.000 1.110 144 R CA 1.459 57.414 56.100 -0.242 0.000 0.973 144 R CB -0.326 29.678 30.300 -0.493 0.000 0.869 144 R HN 0.758 nan 8.270 nan 0.000 0.440 145 H N -1.563 117.497 119.070 -0.016 0.000 2.321 145 H HA -0.154 4.402 4.556 0.001 0.000 0.300 145 H C 1.570 176.851 175.328 -0.078 0.000 1.087 145 H CA 2.252 58.268 56.048 -0.054 0.000 1.319 145 H CB -0.068 29.646 29.762 -0.080 0.000 1.379 145 H HN 0.228 nan 8.280 nan 0.000 0.501 146 Y N -0.263 120.088 120.300 0.086 0.000 2.114 146 Y HA -0.254 4.297 4.550 0.001 0.000 0.284 146 Y C 3.046 178.955 175.900 0.014 0.000 1.143 146 Y CA 1.404 59.530 58.100 0.042 0.000 1.135 146 Y CB -0.400 38.081 38.460 0.034 0.000 0.980 146 Y HN 0.118 nan 8.280 nan 0.000 0.499 147 S N -0.102 115.693 115.700 0.158 0.000 2.365 147 S HA -0.250 4.221 4.470 0.001 0.000 0.225 147 S C 2.125 176.742 174.600 0.029 0.000 1.039 147 S CA 1.601 59.840 58.200 0.065 0.000 1.033 147 S CB -0.230 62.975 63.200 0.008 0.000 0.887 147 S HN 0.361 nan 8.310 nan 0.000 0.447 148 R N 0.436 120.940 120.500 0.007 0.000 2.105 148 R HA 0.004 4.345 4.340 0.001 0.000 0.239 148 R C 1.969 178.272 176.300 0.004 0.000 1.135 148 R CA 1.273 57.371 56.100 -0.004 0.000 0.967 148 R CB -0.308 29.983 30.300 -0.015 0.000 0.861 148 R HN 0.397 nan 8.270 nan 0.000 0.442 149 A N 0.786 123.609 122.820 0.006 0.000 2.327 149 A HA 0.060 4.381 4.320 0.001 0.000 0.228 149 A C -0.097 177.496 177.584 0.015 0.000 1.275 149 A CA -0.054 51.980 52.037 -0.006 0.000 0.875 149 A CB -0.012 18.960 19.000 -0.048 0.000 0.925 149 A HN 0.191 nan 8.150 nan 0.000 0.493 150 K N -0.400 120.017 120.400 0.029 0.000 3.016 150 K HA -0.210 4.111 4.320 0.001 0.000 0.262 150 K C -0.063 176.573 176.600 0.061 0.000 1.043 150 K CA 1.467 57.776 56.287 0.037 0.000 0.761 150 K CB -2.115 30.399 32.500 0.022 0.000 1.230 150 K HN 0.950 nan 8.250 nan 0.000 0.485 151 Q N -0.556 119.305 119.800 0.103 0.000 2.572 151 Q HA 0.645 4.986 4.340 0.001 0.000 0.284 151 Q C -0.147 175.990 176.000 0.227 0.000 1.091 151 Q CA -0.947 54.952 55.803 0.160 0.000 0.840 151 Q CB 1.750 30.596 28.738 0.181 0.000 1.433 151 Q HN 0.136 nan 8.270 nan 0.000 0.471 152 T N -1.540 113.140 114.554 0.210 0.000 2.893 152 T HA 0.478 4.828 4.350 0.001 0.000 0.291 152 T C -0.386 174.263 174.700 -0.085 0.000 1.028 152 T CA -0.923 61.224 62.100 0.078 0.000 0.995 152 T CB 1.329 70.217 68.868 0.034 0.000 1.051 152 T HN 0.494 nan 8.240 nan 0.000 0.470 153 L N 3.348 124.321 121.223 -0.417 0.000 2.513 153 L HA 0.344 4.685 4.340 0.001 0.000 0.272 153 L C -2.290 174.478 176.870 -0.171 0.000 1.187 153 L CA -1.249 53.206 54.840 -0.642 0.000 0.895 153 L CB -0.338 41.411 42.059 -0.518 0.000 1.147 153 L HN 0.464 nan 8.230 nan 0.000 0.483 154 P HA -0.058 nan 4.420 nan 0.000 0.264 154 P C 0.995 178.288 177.300 -0.012 0.000 1.183 154 P CA -0.082 63.041 63.100 0.038 0.000 0.763 154 P CB 0.455 32.229 31.700 0.123 0.000 0.807 155 V N 3.672 123.566 119.914 -0.034 0.000 2.453 155 V HA -0.262 3.859 4.120 0.001 0.000 0.252 155 V C 2.121 178.139 176.094 -0.126 0.000 1.068 155 V CA 1.714 63.995 62.300 -0.031 0.000 1.070 155 V CB -1.033 30.793 31.823 0.005 0.000 0.664 155 V HN 0.572 nan 8.190 nan 0.000 0.461 156 I N -0.541 119.892 120.570 -0.227 0.000 2.264 156 I HA -0.237 3.933 4.170 0.001 0.000 0.248 156 I C 2.163 178.012 176.117 -0.446 0.000 1.111 156 I CA 1.791 62.872 61.300 -0.365 0.000 1.382 156 I CB -0.451 37.282 38.000 -0.446 0.000 1.060 156 I HN 0.324 nan 8.210 nan 0.000 0.418 157 Y N -0.508 119.615 120.300 -0.294 0.000 2.314 157 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 157 Y C 2.535 178.068 175.900 -0.612 0.000 1.129 157 Y CA 1.303 59.046 58.100 -0.595 0.000 1.201 157 Y CB -0.975 37.126 38.460 -0.599 0.000 0.999 157 Y HN -0.012 nan 8.280 nan 0.000 0.541 158 V N 0.135 119.988 119.914 -0.101 0.000 2.343 158 V HA -0.298 3.822 4.120 0.001 0.000 0.247 158 V C 2.136 178.351 176.094 0.201 0.000 1.051 158 V CA 1.872 64.218 62.300 0.076 0.000 1.036 158 V CB -0.500 31.413 31.823 0.150 0.000 0.654 158 V HN 0.342 nan 8.190 nan 0.000 0.451 159 K N -0.237 120.208 120.400 0.075 0.000 2.025 159 K HA -0.089 4.232 4.320 0.001 0.000 0.207 159 K C 2.175 178.914 176.600 0.233 0.000 1.049 159 K CA 1.325 57.692 56.287 0.133 0.000 0.933 159 K CB -0.331 32.009 32.500 -0.268 0.000 0.714 159 K HN 0.308 nan 8.250 nan 0.000 0.438 160 L N 0.086 121.301 121.223 -0.013 0.000 2.012 160 L HA -0.236 4.105 4.340 0.001 0.000 0.210 160 L C 2.459 179.440 176.870 0.185 0.000 1.073 160 L CA 1.290 56.127 54.840 -0.006 0.000 0.748 160 L CB -0.429 41.556 42.059 -0.124 0.000 0.891 160 L HN 0.199 nan 8.230 nan 0.000 0.431 161 Y N -1.273 119.109 120.300 0.136 0.000 2.163 161 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 161 Y C 2.607 178.544 175.900 0.062 0.000 1.136 161 Y CA 0.711 58.860 58.100 0.083 0.000 1.147 161 Y CB -0.767 37.731 38.460 0.062 0.000 0.987 161 Y HN 0.112 nan 8.280 nan 0.000 0.509 162 M N -1.371 118.422 119.600 0.322 0.000 2.117 162 M HA -0.242 4.238 4.480 0.001 0.000 0.262 162 M C 2.199 178.585 176.300 0.142 0.000 1.065 162 M CA 1.418 56.858 55.300 0.233 0.000 1.114 162 M CB -1.636 31.280 32.600 0.527 0.000 1.361 162 M HN 0.379 nan 8.290 nan 0.000 0.408 163 Y N 1.505 121.755 120.300 -0.083 0.000 2.128 163 Y HA -0.284 4.266 4.550 0.001 0.000 0.284 163 Y C 2.445 178.244 175.900 -0.168 0.000 1.154 163 Y CA 2.034 59.818 58.100 -0.527 0.000 1.149 163 Y CB -0.268 37.770 38.460 -0.703 0.000 0.976 163 Y HN 0.318 nan 8.280 nan 0.000 0.505 164 Q N -0.581 119.271 119.800 0.085 0.000 2.124 164 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 164 Q C 2.162 178.116 176.000 -0.078 0.000 0.977 164 Q CA 1.461 57.279 55.803 0.026 0.000 0.850 164 Q CB -0.306 28.488 28.738 0.093 0.000 0.901 164 Q HN 0.510 nan 8.270 nan 0.000 0.429 165 L N -0.127 121.013 121.223 -0.138 0.000 1.994 165 L HA -0.157 4.184 4.340 0.001 0.000 0.208 165 L C 1.782 178.485 176.870 -0.278 0.000 1.071 165 L CA 1.812 56.495 54.840 -0.262 0.000 0.745 165 L CB -0.663 41.157 42.059 -0.399 0.000 0.892 165 L HN 0.083 nan 8.230 nan 0.000 0.431 166 F N 0.145 120.007 119.950 -0.147 0.000 2.216 166 F HA -0.132 4.396 4.527 0.001 0.000 0.300 166 F C 2.710 178.388 175.800 -0.203 0.000 1.085 166 F CA 1.310 59.207 58.000 -0.172 0.000 1.326 166 F CB -0.730 38.166 39.000 -0.173 0.000 1.027 166 F HN 0.090 nan 8.300 nan 0.000 0.497 167 R N 0.065 120.512 120.500 -0.089 0.000 2.066 167 R HA -0.143 4.198 4.340 0.001 0.000 0.232 167 R C 2.569 178.792 176.300 -0.128 0.000 1.131 167 R CA 1.696 57.759 56.100 -0.061 0.000 0.955 167 R CB -0.635 29.617 30.300 -0.079 0.000 0.851 167 R HN 0.386 nan 8.270 nan 0.000 0.432 168 S N 0.853 116.450 115.700 -0.171 0.000 2.383 168 S HA -0.124 4.347 4.470 0.001 0.000 0.229 168 S C 2.070 176.594 174.600 -0.126 0.000 1.030 168 S CA 1.001 59.056 58.200 -0.243 0.000 1.002 168 S CB -0.469 62.667 63.200 -0.106 0.000 0.829 168 S HN 0.234 nan 8.310 nan 0.000 0.467 169 L N 1.245 122.376 121.223 -0.155 0.000 2.072 169 L HA 0.040 4.380 4.340 0.001 0.000 0.205 169 L C 3.248 179.894 176.870 -0.373 0.000 1.079 169 L CA 1.057 55.705 54.840 -0.320 0.000 0.752 169 L CB -0.921 40.949 42.059 -0.316 0.000 0.906 169 L HN 0.468 nan 8.230 nan 0.000 0.436 170 A N -0.484 122.258 122.820 -0.130 0.000 1.902 170 A HA -0.294 4.027 4.320 0.001 0.000 0.217 170 A C 2.197 179.787 177.584 0.010 0.000 1.181 170 A CA 1.662 53.687 52.037 -0.020 0.000 0.623 170 A CB -0.889 18.150 19.000 0.066 0.000 0.818 170 A HN 0.456 nan 8.150 nan 0.000 0.443 171 Y N 1.432 121.659 120.300 -0.123 0.000 2.089 171 Y HA -0.242 4.308 4.550 0.001 0.000 0.282 171 Y C 2.191 178.118 175.900 0.044 0.000 1.139 171 Y CA 2.127 60.170 58.100 -0.095 0.000 1.123 171 Y CB -0.413 37.857 38.460 -0.317 0.000 0.980 171 Y HN 0.432 nan 8.280 nan 0.000 0.493 172 I N -2.219 118.396 120.570 0.075 0.000 2.226 172 I HA -0.297 3.874 4.170 0.001 0.000 0.245 172 I C 2.063 178.320 176.117 0.232 0.000 1.100 172 I CA 2.106 63.523 61.300 0.194 0.000 1.374 172 I CB -1.100 37.114 38.000 0.357 0.000 1.057 172 I HN 0.254 nan 8.210 nan 0.000 0.413 173 H N 1.439 120.543 119.070 0.058 0.000 2.456 173 H HA -0.115 4.442 4.556 0.001 0.000 0.296 173 H C 2.602 177.901 175.328 -0.049 0.000 1.079 173 H CA 1.175 57.245 56.048 0.037 0.000 1.322 173 H CB 0.038 29.830 29.762 0.050 0.000 1.388 173 H HN 0.597 nan 8.280 nan 0.000 0.538 174 S N 0.460 116.124 115.700 -0.061 0.000 2.474 174 S HA -0.122 4.348 4.470 0.001 0.000 0.235 174 S C 1.258 175.612 174.600 -0.409 0.000 0.997 174 S CA 0.775 58.812 58.200 -0.271 0.000 0.949 174 S CB -0.348 62.602 63.200 -0.417 0.000 0.766 174 S HN 0.235 nan 8.310 nan 0.000 0.517 175 F N 1.642 121.535 119.950 -0.095 0.000 2.695 175 F HA 0.453 4.981 4.527 0.001 0.000 0.303 175 F C 1.912 177.693 175.800 -0.031 0.000 1.091 175 F CA -0.349 57.601 58.000 -0.082 0.000 1.300 175 F CB -0.037 38.889 39.000 -0.124 0.000 1.071 175 F HN 0.353 nan 8.300 nan 0.000 0.578 176 G N 1.135 110.007 108.800 0.120 0.000 2.148 176 G HA2 -0.321 3.640 3.960 0.001 0.000 0.254 176 G HA3 -0.321 3.640 3.960 0.001 0.000 0.254 176 G C 0.269 175.225 174.900 0.093 0.000 0.981 176 G CA -0.044 45.101 45.100 0.074 0.000 0.670 176 G HN 0.318 nan 8.290 nan 0.000 0.528 177 I N 0.678 121.352 120.570 0.172 0.000 2.371 177 I HA 0.376 4.546 4.170 0.001 0.000 0.290 177 I C 0.886 177.153 176.117 0.251 0.000 1.028 177 I CA -0.685 60.726 61.300 0.185 0.000 1.345 177 I CB 1.288 39.412 38.000 0.206 0.000 1.407 177 I HN 0.212 nan 8.210 nan 0.000 0.501 178 C N 6.820 126.228 119.300 0.179 0.000 2.295 178 C HA 0.254 4.714 4.460 0.001 0.000 0.331 178 C C 1.821 176.949 174.990 0.230 0.000 1.280 178 C CA -0.417 58.726 59.018 0.209 0.000 1.746 178 C CB 0.299 28.111 27.740 0.120 0.000 2.328 178 C HN 0.883 nan 8.230 nan 0.000 0.521 179 H N 3.974 123.140 119.070 0.160 0.000 2.321 179 H HA -0.030 4.527 4.556 0.001 0.000 0.300 179 H C 1.441 176.770 175.328 0.001 0.000 1.087 179 H CA 2.437 58.493 56.048 0.013 0.000 1.319 179 H CB 0.137 29.833 29.762 -0.110 0.000 1.379 179 H HN 0.907 nan 8.280 nan 0.000 0.501 180 R N -0.811 119.816 120.500 0.210 0.000 3.785 180 R HA -0.178 4.163 4.340 0.001 0.000 0.476 180 R C -0.427 175.948 176.300 0.124 0.000 0.905 180 R CA 1.236 57.405 56.100 0.115 0.000 1.412 180 R CB -1.636 28.695 30.300 0.051 0.000 2.077 180 R HN 0.352 nan 8.270 nan 0.000 0.504 181 D N 0.329 120.912 120.400 0.305 0.000 3.100 181 D HA 0.206 4.847 4.640 0.001 0.000 0.350 181 D C -0.515 175.852 176.300 0.110 0.000 1.310 181 D CA -0.284 53.832 54.000 0.193 0.000 0.741 181 D CB 0.313 41.175 40.800 0.103 0.000 1.248 181 D HN 0.048 nan 8.370 nan 0.000 0.527 182 I N 2.501 123.048 120.570 -0.039 0.000 2.517 182 I HA 0.186 4.356 4.170 0.001 0.000 0.285 182 I C 0.615 176.551 176.117 -0.301 0.000 1.106 182 I CA 0.390 61.516 61.300 -0.289 0.000 1.402 182 I CB 0.047 37.909 38.000 -0.230 0.000 1.399 182 I HN 0.253 nan 8.210 nan 0.000 0.535 183 K N 6.168 126.321 120.400 -0.410 0.000 2.597 183 K HA 0.468 4.789 4.320 0.001 0.000 0.282 183 K C -2.899 173.446 176.600 -0.425 0.000 0.975 183 K CA -1.309 54.568 56.287 -0.683 0.000 0.867 183 K CB 1.306 33.427 32.500 -0.633 0.000 1.465 183 K HN -0.102 nan 8.250 nan 0.000 0.417 184 P HA -0.202 nan 4.420 nan 0.000 0.217 184 P C 0.726 177.991 177.300 -0.058 0.000 1.148 184 P CA 1.404 64.446 63.100 -0.098 0.000 0.828 184 P CB 0.149 31.910 31.700 0.103 0.000 0.783 185 Q N -1.550 118.178 119.800 -0.120 0.000 2.364 185 Q HA -0.056 4.284 4.340 0.001 0.000 0.207 185 Q C 0.781 176.698 176.000 -0.139 0.000 0.970 185 Q CA 0.710 56.414 55.803 -0.165 0.000 0.888 185 Q CB -0.365 28.193 28.738 -0.300 0.000 0.951 185 Q HN 0.291 nan 8.270 nan 0.000 0.469 186 N N -0.133 118.472 118.700 -0.158 0.000 2.238 186 N HA 0.165 4.906 4.740 0.001 0.000 0.222 186 N C -0.872 174.536 175.510 -0.170 0.000 1.133 186 N CA 0.236 53.200 53.050 -0.143 0.000 0.854 186 N CB 0.726 39.130 38.487 -0.138 0.000 1.041 186 N HN 0.114 nan 8.380 nan 0.000 0.510 187 L N 1.446 122.571 121.223 -0.164 0.000 2.318 187 L HA 0.458 4.798 4.340 0.001 0.000 0.277 187 L C -0.327 176.444 176.870 -0.164 0.000 1.008 187 L CA -0.479 54.254 54.840 -0.178 0.000 0.846 187 L CB 1.377 43.317 42.059 -0.198 0.000 1.220 187 L HN -0.216 nan 8.230 nan 0.000 0.423 188 L N 4.710 125.843 121.223 -0.151 0.000 2.399 188 L HA 0.604 4.945 4.340 0.001 0.000 0.266 188 L C -0.447 176.302 176.870 -0.202 0.000 1.114 188 L CA -0.819 53.926 54.840 -0.158 0.000 0.804 188 L CB 1.390 43.367 42.059 -0.137 0.000 1.146 188 L HN 0.433 nan 8.230 nan 0.000 0.451 189 L N -1.132 119.964 121.223 -0.211 0.000 2.505 189 L HA 0.540 4.881 4.340 0.001 0.000 0.259 189 L C -1.040 175.738 176.870 -0.154 0.000 0.952 189 L CA -0.576 54.124 54.840 -0.233 0.000 0.840 189 L CB 1.790 43.579 42.059 -0.450 0.000 1.358 189 L HN 0.335 nan 8.230 nan 0.000 0.409 190 D N 4.199 124.542 120.400 -0.096 0.000 2.396 190 D HA 0.326 4.966 4.640 0.001 0.000 0.225 190 D C -1.778 174.522 176.300 -0.001 0.000 1.121 190 D CA -1.628 52.343 54.000 -0.049 0.000 0.853 190 D CB 1.986 42.769 40.800 -0.029 0.000 1.043 190 D HN 0.464 nan 8.370 nan 0.000 0.500 191 P HA -0.165 nan 4.420 nan 0.000 0.216 191 P C 0.658 177.982 177.300 0.040 0.000 1.154 191 P CA 1.107 64.212 63.100 0.009 0.000 0.865 191 P CB 0.565 32.260 31.700 -0.008 0.000 0.789 192 D N -1.124 119.299 120.400 0.038 0.000 2.162 192 D HA -0.068 4.572 4.640 0.001 0.000 0.203 192 D C 1.931 178.272 176.300 0.067 0.000 0.967 192 D CA 1.913 55.944 54.000 0.050 0.000 0.840 192 D CB -0.827 39.994 40.800 0.034 0.000 0.972 192 D HN 0.305 nan 8.370 nan 0.000 0.482 193 T N -2.383 112.207 114.554 0.059 0.000 3.065 193 T HA 0.427 4.778 4.350 0.001 0.000 0.252 193 T C 1.315 176.073 174.700 0.096 0.000 1.099 193 T CA 0.680 62.814 62.100 0.057 0.000 1.063 193 T CB 0.327 69.212 68.868 0.027 0.000 0.948 193 T HN 0.164 nan 8.240 nan 0.000 0.506 194 A N 0.065 122.978 122.820 0.155 0.000 2.905 194 A HA -0.087 4.234 4.320 0.001 0.000 0.260 194 A C 0.373 178.103 177.584 0.242 0.000 1.398 194 A CA 0.616 52.828 52.037 0.291 0.000 0.840 194 A CB -2.629 16.547 19.000 0.294 0.000 1.059 194 A HN 0.598 nan 8.150 nan 0.000 0.647 195 V N 0.158 120.137 119.914 0.109 0.000 2.498 195 V HA 0.552 4.673 4.120 0.001 0.000 0.279 195 V C 0.506 176.598 176.094 -0.003 0.000 1.048 195 V CA 0.426 62.754 62.300 0.047 0.000 0.967 195 V CB 1.566 33.389 31.823 -0.001 0.000 0.988 195 V HN 0.670 nan 8.190 nan 0.000 0.473 196 L N 5.843 127.062 121.223 -0.007 0.000 2.329 196 L HA 0.647 4.988 4.340 0.001 0.000 0.279 196 L C -0.443 176.391 176.870 -0.060 0.000 1.014 196 L CA -0.378 54.410 54.840 -0.086 0.000 0.814 196 L CB 1.400 43.407 42.059 -0.087 0.000 1.257 196 L HN 0.571 nan 8.230 nan 0.000 0.424 197 K N 4.713 125.063 120.400 -0.083 0.000 2.443 197 K HA 0.414 4.734 4.320 0.001 0.000 0.252 197 K C -1.393 175.176 176.600 -0.052 0.000 0.933 197 K CA -0.813 55.450 56.287 -0.040 0.000 0.792 197 K CB 2.248 34.731 32.500 -0.027 0.000 1.185 197 K HN 0.387 nan 8.250 nan 0.000 0.425 198 L N 4.175 125.387 121.223 -0.019 0.000 2.416 198 L HA 0.283 4.623 4.340 0.001 0.000 0.272 198 L C -0.292 176.608 176.870 0.050 0.000 1.161 198 L CA 0.170 54.974 54.840 -0.058 0.000 0.845 198 L CB 0.066 42.093 42.059 -0.053 0.000 1.119 198 L HN 0.922 nan 8.230 nan 0.000 0.464 199 C N 1.849 121.141 119.300 -0.013 0.000 3.235 199 C HA 0.726 5.187 4.460 0.001 0.000 0.351 199 C C -0.074 174.943 174.990 0.044 0.000 1.520 199 C CA -0.655 58.419 59.018 0.094 0.000 1.474 199 C CB 1.213 28.987 27.740 0.057 0.000 2.019 199 C HN 0.946 nan 8.230 nan 0.000 0.446 200 D N -0.472 119.989 120.400 0.102 0.000 3.357 200 D HA -0.180 4.461 4.640 0.001 0.000 0.238 200 D C -0.521 175.694 176.300 -0.142 0.000 1.126 200 D CA 0.441 54.463 54.000 0.037 0.000 0.984 200 D CB -1.255 39.549 40.800 0.007 0.000 0.925 200 D HN 0.608 nan 8.370 nan 0.000 0.414 201 F N 0.221 120.122 119.950 -0.083 0.000 2.663 201 F HA 0.340 4.868 4.527 0.001 0.000 0.299 201 F C 2.286 177.990 175.800 -0.159 0.000 1.143 201 F CA 0.163 58.048 58.000 -0.191 0.000 1.387 201 F CB 0.523 39.469 39.000 -0.090 0.000 1.019 201 F HN 0.378 nan 8.300 nan 0.000 0.523 202 G N -0.690 108.103 108.800 -0.012 0.000 2.471 202 G HA2 -0.164 3.796 3.960 0.001 0.000 0.219 202 G HA3 -0.164 3.796 3.960 0.001 0.000 0.219 202 G C 1.551 176.437 174.900 -0.024 0.000 1.125 202 G CA 0.867 45.970 45.100 0.005 0.000 0.775 202 G HN 0.350 nan 8.290 nan 0.000 0.548 203 S N -0.067 115.571 115.700 -0.104 0.000 2.512 203 S HA 0.519 4.990 4.470 0.001 0.000 0.216 203 S C 1.291 175.844 174.600 -0.077 0.000 1.006 203 S CA 0.037 58.192 58.200 -0.075 0.000 0.915 203 S CB 0.534 63.687 63.200 -0.077 0.000 0.824 203 S HN 0.592 nan 8.310 nan 0.000 0.497 204 A N 2.204 124.952 122.820 -0.120 0.000 2.520 204 A HA 0.466 4.787 4.320 0.001 0.000 0.235 204 A C 0.247 177.850 177.584 0.031 0.000 1.065 204 A CA 0.462 52.483 52.037 -0.028 0.000 0.764 204 A CB 0.108 19.174 19.000 0.110 0.000 1.002 204 A HN 0.352 nan 8.150 nan 0.000 0.502 205 K N 0.708 121.141 120.400 0.055 0.000 2.578 205 K HA 0.263 4.584 4.320 0.001 0.000 0.269 205 K C -0.919 175.706 176.600 0.041 0.000 0.941 205 K CA -0.500 55.806 56.287 0.032 0.000 0.847 205 K CB 1.348 33.855 32.500 0.012 0.000 1.397 205 K HN 0.844 nan 8.250 nan 0.000 0.422 206 Q N 4.039 123.849 119.800 0.018 0.000 2.296 206 Q HA 0.231 4.572 4.340 0.001 0.000 0.262 206 Q C -1.063 174.929 176.000 -0.013 0.000 0.981 206 Q CA -0.248 55.565 55.803 0.017 0.000 0.905 206 Q CB 0.574 29.318 28.738 0.010 0.000 1.186 206 Q HN 0.468 nan 8.270 nan 0.000 0.399 207 L N 4.882 126.094 121.223 -0.019 0.000 2.257 207 L HA 0.410 4.751 4.340 0.001 0.000 0.290 207 L C -0.770 176.064 176.870 -0.060 0.000 1.044 207 L CA -0.864 53.938 54.840 -0.063 0.000 0.810 207 L CB 1.392 43.406 42.059 -0.077 0.000 1.193 207 L HN 0.411 nan 8.230 nan 0.000 0.425 208 V N 3.377 123.249 119.914 -0.071 0.000 2.398 208 V HA 0.319 4.440 4.120 0.001 0.000 0.286 208 V C 0.351 176.405 176.094 -0.066 0.000 1.026 208 V CA -0.844 61.423 62.300 -0.055 0.000 0.868 208 V CB 1.575 33.372 31.823 -0.042 0.000 0.982 208 V HN 0.708 nan 8.190 nan 0.000 0.443 209 R N 3.790 124.258 120.500 -0.053 0.000 2.537 209 R HA 0.330 4.671 4.340 0.001 0.000 0.281 209 R C 1.233 177.504 176.300 -0.049 0.000 0.988 209 R CA 1.572 57.641 56.100 -0.052 0.000 1.077 209 R CB -0.252 30.027 30.300 -0.035 0.000 0.932 209 R HN 1.236 nan 8.270 nan 0.000 0.409 210 G N 2.475 111.242 108.800 -0.056 0.000 2.199 210 G HA2 -0.280 3.680 3.960 0.001 0.000 0.254 210 G HA3 -0.280 3.680 3.960 0.001 0.000 0.254 210 G C -0.340 174.525 174.900 -0.058 0.000 0.982 210 G CA 0.360 45.431 45.100 -0.048 0.000 0.632 210 G HN 0.625 nan 8.290 nan 0.000 0.529 211 E N 1.961 122.115 120.200 -0.076 0.000 2.197 211 E HA 0.455 4.805 4.350 0.001 0.000 0.281 211 E C -2.192 174.338 176.600 -0.117 0.000 0.995 211 E CA -1.724 54.627 56.400 -0.082 0.000 0.808 211 E CB 1.803 31.456 29.700 -0.078 0.000 1.093 211 E HN 0.256 nan 8.360 nan 0.000 0.394 212 P HA 0.205 nan 4.420 nan 0.000 0.279 212 P C -0.890 176.318 177.300 -0.155 0.000 1.252 212 P CA -0.529 62.497 63.100 -0.124 0.000 0.811 212 P CB 1.082 32.741 31.700 -0.067 0.000 1.035 213 N N -0.472 118.096 118.700 -0.219 0.000 2.321 213 N HA 0.266 5.007 4.740 0.001 0.000 0.290 213 N C -0.708 174.770 175.510 -0.053 0.000 1.212 213 N CA -0.632 52.307 53.050 -0.186 0.000 0.767 213 N CB 2.570 40.857 38.487 -0.333 0.000 1.494 213 N HN 0.245 nan 8.380 nan 0.000 0.479 214 V N 0.008 119.870 119.914 -0.086 0.000 2.673 214 V HA 0.100 4.220 4.120 0.001 0.000 0.303 214 V C 1.219 177.245 176.094 -0.112 0.000 1.046 214 V CA 0.121 62.274 62.300 -0.244 0.000 1.126 214 V CB 0.644 31.993 31.823 -0.790 0.000 0.934 214 V HN 0.813 nan 8.190 nan 0.000 0.487 215 S N 2.710 118.369 115.700 -0.069 0.000 2.593 215 S HA 0.044 4.515 4.470 0.001 0.000 0.217 215 S C 0.964 175.535 174.600 -0.049 0.000 0.966 215 S CA 0.554 58.752 58.200 -0.003 0.000 0.914 215 S CB -0.708 62.544 63.200 0.085 0.000 0.776 215 S HN 1.170 nan 8.310 nan 0.000 0.523 216 Y N 1.390 121.705 120.300 0.025 0.000 2.470 216 Y HA 0.585 5.136 4.550 0.001 0.000 0.284 216 Y C 0.201 176.095 175.900 -0.009 0.000 1.188 216 Y CA -2.188 55.912 58.100 0.001 0.000 1.269 216 Y CB -1.205 37.261 38.460 0.010 0.000 1.094 216 Y HN 0.240 nan 8.280 nan 0.000 0.518 217 I N -1.917 118.601 120.570 -0.086 0.000 3.110 217 I HA 0.546 4.717 4.170 0.001 0.000 0.314 217 I C 0.537 176.638 176.117 -0.027 0.000 1.020 217 I CA -1.747 59.532 61.300 -0.036 0.000 1.169 217 I CB 0.354 38.307 38.000 -0.077 0.000 1.437 217 I HN 0.171 nan 8.210 nan 0.000 0.595 218 C N 1.263 120.565 119.300 0.003 0.000 0.168 218 C HA -0.066 4.395 4.460 0.001 0.000 0.017 218 C C 0.360 175.384 174.990 0.056 0.000 0.171 218 C CA 0.091 59.128 59.018 0.033 0.000 0.499 218 C CB -2.016 25.731 27.740 0.010 0.000 3.212 218 C HN 1.079 nan 8.230 nan 0.000 1.118 219 S N 4.608 120.369 115.700 0.102 0.000 2.616 219 S HA 0.538 5.008 4.470 0.001 0.000 0.277 219 S C 0.099 174.769 174.600 0.117 0.000 1.234 219 S CA -0.546 57.713 58.200 0.098 0.000 1.028 219 S CB 1.235 64.490 63.200 0.093 0.000 0.988 219 S HN 0.901 nan 8.310 nan 0.000 0.522 220 R N 1.029 121.508 120.500 -0.036 0.000 2.500 220 R HA -0.116 4.225 4.340 0.001 0.000 0.281 220 R C -0.542 175.569 176.300 -0.316 0.000 0.953 220 R CA 0.913 56.894 56.100 -0.198 0.000 1.108 220 R CB -0.263 29.810 30.300 -0.378 0.000 0.901 220 R HN 0.796 nan 8.270 nan 0.000 0.410 221 Y N 1.378 121.611 120.300 -0.112 0.000 4.936 221 Y HA -0.298 4.252 4.550 0.001 0.000 0.266 221 Y C -0.255 175.309 175.900 -0.561 0.000 0.909 221 Y CA 1.014 58.900 58.100 -0.356 0.000 1.828 221 Y CB -2.440 35.597 38.460 -0.705 0.000 1.283 221 Y HN 0.759 nan 8.280 nan 0.000 0.511 222 Y N -1.229 119.265 120.300 0.323 0.000 2.425 222 Y HA 0.318 4.869 4.550 0.001 0.000 0.261 222 Y C 1.086 177.209 175.900 0.372 0.000 1.084 222 Y CA -0.986 57.301 58.100 0.312 0.000 1.248 222 Y CB 0.243 38.817 38.460 0.190 0.000 1.270 222 Y HN -0.153 nan 8.280 nan 0.000 0.524 223 R N 1.904 122.585 120.500 0.301 0.000 2.484 223 R HA 0.401 4.742 4.340 0.001 0.000 0.293 223 R C 0.348 176.570 176.300 -0.130 0.000 1.023 223 R CA 0.115 56.280 56.100 0.108 0.000 1.037 223 R CB 0.348 30.646 30.300 -0.003 0.000 0.951 223 R HN 0.128 nan 8.270 nan 0.000 0.418 224 A N 5.920 128.536 122.820 -0.341 0.000 2.483 224 A HA 0.126 4.447 4.320 0.001 0.000 0.238 224 A C -1.147 175.977 177.584 -0.768 0.000 1.070 224 A CA -1.239 50.202 52.037 -0.993 0.000 0.770 224 A CB 0.034 18.766 19.000 -0.447 0.000 1.008 224 A HN 0.601 nan 8.150 nan 0.000 0.497 225 P HA -0.219 nan 4.420 nan 0.000 0.218 225 P C 1.066 178.273 177.300 -0.155 0.000 1.148 225 P CA 1.609 64.408 63.100 -0.502 0.000 0.822 225 P CB 0.048 31.531 31.700 -0.362 0.000 0.784 226 E N 0.704 120.842 120.200 -0.104 0.000 2.150 226 E HA -0.129 4.221 4.350 0.001 0.000 0.193 226 E C 2.139 178.744 176.600 0.008 0.000 0.985 226 E CA 0.895 57.327 56.400 0.053 0.000 0.814 226 E CB -1.232 28.494 29.700 0.044 0.000 0.752 226 E HN 0.291 nan 8.360 nan 0.000 0.466 227 L N 0.560 121.698 121.223 -0.140 0.000 2.027 227 L HA -0.081 4.260 4.340 0.001 0.000 0.206 227 L C 2.845 179.651 176.870 -0.106 0.000 1.074 227 L CA 0.949 55.692 54.840 -0.163 0.000 0.745 227 L CB -0.432 41.471 42.059 -0.261 0.000 0.898 227 L HN 0.044 nan 8.230 nan 0.000 0.433 228 I N -0.741 119.720 120.570 -0.181 0.000 2.208 228 I HA -0.314 3.857 4.170 0.001 0.000 0.245 228 I C 2.118 178.120 176.117 -0.191 0.000 1.097 228 I CA 1.480 62.645 61.300 -0.226 0.000 1.363 228 I CB -0.327 37.449 38.000 -0.373 0.000 1.051 228 I HN 0.106 nan 8.210 nan 0.000 0.413 229 F N 1.148 121.047 119.950 -0.085 0.000 2.722 229 F HA 0.069 4.597 4.527 0.001 0.000 0.298 229 F C 1.886 177.670 175.800 -0.027 0.000 1.175 229 F CA 0.912 58.872 58.000 -0.066 0.000 1.462 229 F CB -0.740 38.199 39.000 -0.101 0.000 1.111 229 F HN 0.249 nan 8.300 nan 0.000 0.592 230 G N -0.079 108.803 108.800 0.137 0.000 2.137 230 G HA2 -0.117 3.844 3.960 0.001 0.000 0.237 230 G HA3 -0.117 3.844 3.960 0.001 0.000 0.237 230 G C 0.384 175.361 174.900 0.128 0.000 1.002 230 G CA -0.140 45.033 45.100 0.121 0.000 0.702 230 G HN 0.650 nan 8.290 nan 0.000 0.515 231 A N 0.010 122.914 122.820 0.140 0.000 2.462 231 A HA 0.684 5.004 4.320 0.001 0.000 0.243 231 A C 1.480 179.199 177.584 0.226 0.000 1.076 231 A CA 1.432 53.561 52.037 0.154 0.000 0.773 231 A CB 0.363 19.458 19.000 0.159 0.000 1.010 231 A HN 1.573 nan 8.150 nan 0.000 0.493 232 T N -1.937 112.695 114.554 0.131 0.000 3.044 232 T HA 0.119 4.469 4.350 0.001 0.000 0.260 232 T C 0.220 174.832 174.700 -0.147 0.000 1.019 232 T CA 0.563 62.691 62.100 0.046 0.000 0.921 232 T CB -0.003 68.873 68.868 0.012 0.000 1.053 232 T HN 0.668 nan 8.240 nan 0.000 0.533 233 D N 1.028 121.382 120.400 -0.076 0.000 2.463 233 D HA 0.084 4.725 4.640 0.001 0.000 0.224 233 D C 0.360 176.583 176.300 -0.128 0.000 1.174 233 D CA -0.835 53.084 54.000 -0.136 0.000 0.829 233 D CB -1.025 39.745 40.800 -0.051 0.000 0.993 233 D HN 0.627 nan 8.370 nan 0.000 0.497 234 Y N 0.629 120.920 120.300 -0.014 0.000 2.385 234 Y HA 0.424 4.975 4.550 0.001 0.000 0.346 234 Y C 0.986 176.876 175.900 -0.016 0.000 1.270 234 Y CA -0.840 57.253 58.100 -0.011 0.000 1.472 234 Y CB 0.025 38.478 38.460 -0.011 0.000 1.354 234 Y HN -0.048 nan 8.280 nan 0.000 0.611 235 T N -2.548 112.124 114.554 0.195 0.000 2.844 235 T HA 0.316 4.667 4.350 0.001 0.000 0.274 235 T C 0.795 175.575 174.700 0.134 0.000 0.991 235 T CA -0.414 61.738 62.100 0.087 0.000 0.983 235 T CB 0.960 69.852 68.868 0.040 0.000 1.310 235 T HN 0.627 nan 8.240 nan 0.000 0.596 236 S N 0.684 116.367 115.700 -0.030 0.000 2.507 236 S HA -0.054 4.416 4.470 0.001 0.000 0.235 236 S C 2.156 176.738 174.600 -0.030 0.000 0.988 236 S CA 1.013 59.097 58.200 -0.193 0.000 0.944 236 S CB -0.766 61.973 63.200 -0.767 0.000 0.762 236 S HN 0.873 nan 8.310 nan 0.000 0.526 237 S N 2.237 117.980 115.700 0.071 0.000 2.500 237 S HA -0.099 4.372 4.470 0.001 0.000 0.239 237 S C 1.780 176.515 174.600 0.225 0.000 0.989 237 S CA 0.842 59.144 58.200 0.170 0.000 0.951 237 S CB -1.009 62.285 63.200 0.157 0.000 0.759 237 S HN 0.767 nan 8.310 nan 0.000 0.523 238 I N -0.321 120.358 120.570 0.182 0.000 2.361 238 I HA -0.116 4.054 4.170 0.001 0.000 0.251 238 I C 1.614 177.879 176.117 0.247 0.000 1.133 238 I CA 1.761 63.159 61.300 0.163 0.000 1.413 238 I CB -0.543 37.453 38.000 -0.007 0.000 1.073 238 I HN -0.015 nan 8.210 nan 0.000 0.424 239 D N 1.300 121.854 120.400 0.258 0.000 2.178 239 D HA -0.088 4.553 4.640 0.001 0.000 0.202 239 D C 2.463 178.929 176.300 0.277 0.000 0.974 239 D CA 1.195 55.356 54.000 0.269 0.000 0.841 239 D CB -0.116 40.910 40.800 0.377 0.000 0.953 239 D HN 0.328 nan 8.370 nan 0.000 0.478 240 V N 0.638 120.755 119.914 0.339 0.000 2.379 240 V HA -0.160 3.961 4.120 0.001 0.000 0.245 240 V C 2.138 178.417 176.094 0.309 0.000 1.044 240 V CA 1.048 63.557 62.300 0.348 0.000 1.036 240 V CB -0.387 31.626 31.823 0.316 0.000 0.664 240 V HN 0.396 nan 8.190 nan 0.000 0.453 241 W N 1.189 122.593 121.300 0.173 0.000 2.335 241 W HA -0.218 4.443 4.660 0.001 0.000 0.311 241 W C 2.479 179.109 176.519 0.184 0.000 1.213 241 W CA 2.158 59.603 57.345 0.167 0.000 1.274 241 W CB -0.579 28.965 29.460 0.139 0.000 1.148 241 W HN 0.323 nan 8.180 nan 0.000 0.498 242 S N 1.054 117.002 115.700 0.413 0.000 2.370 242 S HA -0.189 4.282 4.470 0.001 0.000 0.226 242 S C 2.127 176.806 174.600 0.132 0.000 1.033 242 S CA 1.955 60.344 58.200 0.315 0.000 1.011 242 S CB -0.870 62.478 63.200 0.246 0.000 0.852 242 S HN 0.376 nan 8.310 nan 0.000 0.457 243 A N 1.385 124.241 122.820 0.059 0.000 1.930 243 A HA 0.117 4.437 4.320 0.001 0.000 0.217 243 A C 2.334 179.902 177.584 -0.026 0.000 1.175 243 A CA 1.609 53.600 52.037 -0.076 0.000 0.627 243 A CB -1.326 17.532 19.000 -0.237 0.000 0.815 243 A HN 0.522 nan 8.150 nan 0.000 0.443 244 G N -0.962 107.845 108.800 0.011 0.000 2.422 244 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 244 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 244 G C 1.534 176.352 174.900 -0.137 0.000 1.146 244 G CA 1.294 46.341 45.100 -0.088 0.000 0.769 244 G HN 0.515 nan 8.290 nan 0.000 0.547 245 C N -0.186 119.048 119.300 -0.110 0.000 2.440 245 C HA 0.032 4.493 4.460 0.001 0.000 0.278 245 C C 3.055 178.095 174.990 0.083 0.000 1.295 245 C CA 0.636 59.635 59.018 -0.032 0.000 1.738 245 C CB -0.782 27.056 27.740 0.163 0.000 1.987 245 C HN 0.296 nan 8.230 nan 0.000 0.492 246 V N 0.922 120.907 119.914 0.117 0.000 2.307 246 V HA -0.176 3.945 4.120 0.001 0.000 0.245 246 V C 2.351 178.460 176.094 0.025 0.000 1.045 246 V CA 1.909 64.260 62.300 0.086 0.000 1.024 246 V CB -0.800 31.007 31.823 -0.027 0.000 0.651 246 V HN 0.519 nan 8.190 nan 0.000 0.449 247 L N 1.321 122.532 121.223 -0.020 0.000 1.989 247 L HA -0.135 4.205 4.340 0.001 0.000 0.211 247 L C 2.467 179.295 176.870 -0.070 0.000 1.071 247 L CA 2.616 57.426 54.840 -0.049 0.000 0.749 247 L CB -1.113 40.893 42.059 -0.087 0.000 0.890 247 L HN 0.207 nan 8.230 nan 0.000 0.431 248 A N -0.822 121.969 122.820 -0.048 0.000 1.908 248 A HA -0.301 4.020 4.320 0.001 0.000 0.218 248 A C 2.348 179.993 177.584 0.101 0.000 1.181 248 A CA 1.969 54.061 52.037 0.093 0.000 0.627 248 A CB -0.850 18.187 19.000 0.062 0.000 0.818 248 A HN 0.690 nan 8.150 nan 0.000 0.445 249 E N -0.230 119.983 120.200 0.021 0.000 2.072 249 E HA -0.134 4.216 4.350 0.001 0.000 0.191 249 E C 1.900 178.518 176.600 0.030 0.000 0.985 249 E CA 0.975 57.385 56.400 0.017 0.000 0.801 249 E CB -0.200 29.533 29.700 0.055 0.000 0.750 249 E HN 0.639 nan 8.360 nan 0.000 0.452 250 L N 0.515 121.755 121.223 0.028 0.000 2.141 250 L HA -0.163 4.178 4.340 0.001 0.000 0.209 250 L C 2.449 179.319 176.870 -0.000 0.000 1.094 250 L CA 0.667 55.515 54.840 0.014 0.000 0.763 250 L CB -0.254 41.823 42.059 0.031 0.000 0.908 250 L HN 0.268 nan 8.230 nan 0.000 0.437 251 L N -0.825 120.395 121.223 -0.005 0.000 2.072 251 L HA -0.168 4.173 4.340 0.001 0.000 0.205 251 L C 2.364 179.300 176.870 0.111 0.000 1.079 251 L CA 1.020 55.850 54.840 -0.016 0.000 0.752 251 L CB -0.257 41.669 42.059 -0.222 0.000 0.906 251 L HN 0.239 nan 8.230 nan 0.000 0.436 252 L N -0.843 120.480 121.223 0.167 0.000 2.209 252 L HA 0.072 4.412 4.340 0.001 0.000 0.207 252 L C 1.607 178.503 176.870 0.043 0.000 1.094 252 L CA 0.889 55.803 54.840 0.124 0.000 0.790 252 L CB -0.353 41.734 42.059 0.046 0.000 0.932 252 L HN 0.499 nan 8.230 nan 0.000 0.447 253 G N -0.132 108.684 108.800 0.026 0.000 2.175 253 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 253 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 253 G C 0.094 174.985 174.900 -0.014 0.000 0.982 253 G CA 0.339 45.448 45.100 0.014 0.000 0.641 253 G HN 0.486 nan 8.290 nan 0.000 0.527 254 Q N -1.504 118.273 119.800 -0.039 0.000 2.687 254 Q HA 0.630 4.970 4.340 0.001 0.000 0.295 254 Q C -3.416 172.502 176.000 -0.136 0.000 0.920 254 Q CA -2.133 53.620 55.803 -0.083 0.000 0.766 254 Q CB 1.467 30.147 28.738 -0.097 0.000 1.467 254 Q HN 0.091 nan 8.270 nan 0.000 0.415 255 P HA 0.119 nan 4.420 nan 0.000 0.268 255 P C 0.053 177.138 177.300 -0.359 0.000 1.205 255 P CA -0.009 62.887 63.100 -0.341 0.000 0.771 255 P CB 0.645 31.901 31.700 -0.739 0.000 0.858 256 I N 1.852 122.177 120.570 -0.409 0.000 2.353 256 I HA -0.064 4.106 4.170 0.001 0.000 0.248 256 I C 0.063 175.824 176.117 -0.595 0.000 1.119 256 I CA 1.172 62.116 61.300 -0.594 0.000 1.417 256 I CB 0.182 37.681 38.000 -0.836 0.000 1.078 256 I HN 0.098 nan 8.210 nan 0.000 0.421 257 F N 2.868 122.731 119.950 -0.146 0.000 2.471 257 F HA 0.461 4.988 4.527 0.001 0.000 0.318 257 F C -2.211 173.533 175.800 -0.093 0.000 1.308 257 F CA -3.382 54.569 58.000 -0.082 0.000 1.162 257 F CB -0.547 38.482 39.000 0.049 0.000 1.383 257 F HN -0.054 nan 8.300 nan 0.000 0.552 258 P HA 0.590 nan 4.420 nan 0.000 0.275 258 P C 0.015 177.404 177.300 0.149 0.000 1.266 258 P CA -0.185 62.873 63.100 -0.071 0.000 0.793 258 P CB 1.878 33.438 31.700 -0.234 0.000 1.074 259 G N -0.088 108.857 108.800 0.243 0.000 2.322 259 G HA2 0.060 4.021 3.960 0.001 0.000 0.289 259 G HA3 0.060 4.021 3.960 0.001 0.000 0.289 259 G C -0.564 174.411 174.900 0.125 0.000 1.687 259 G CA -0.503 44.681 45.100 0.140 0.000 0.944 259 G HN 0.333 nan 8.290 nan 0.000 0.718 260 D N -0.095 120.348 120.400 0.072 0.000 2.339 260 D HA 0.198 4.839 4.640 0.001 0.000 0.217 260 D C 1.447 177.754 176.300 0.011 0.000 1.050 260 D CA 1.223 55.243 54.000 0.033 0.000 0.856 260 D CB 0.678 41.495 40.800 0.028 0.000 0.922 260 D HN 0.723 nan 8.370 nan 0.000 0.518 261 S N -2.175 113.534 115.700 0.016 0.000 2.627 261 S HA 0.574 5.045 4.470 0.001 0.000 0.283 261 S C 1.309 175.905 174.600 -0.007 0.000 1.127 261 S CA -0.439 57.762 58.200 0.001 0.000 0.863 261 S CB 1.802 65.005 63.200 0.005 0.000 1.121 261 S HN -0.051 nan 8.310 nan 0.000 0.479 262 G N 0.628 109.412 108.800 -0.027 0.000 2.446 262 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 262 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 262 G C 1.371 176.235 174.900 -0.060 0.000 1.168 262 G CA 1.041 46.102 45.100 -0.065 0.000 0.771 262 G HN 0.986 nan 8.290 nan 0.000 0.551 263 V N 1.128 121.040 119.914 -0.004 0.000 2.287 263 V HA -0.190 3.931 4.120 0.001 0.000 0.248 263 V C 2.405 178.543 176.094 0.074 0.000 1.053 263 V CA 3.032 65.379 62.300 0.077 0.000 1.027 263 V CB -0.467 31.401 31.823 0.076 0.000 0.646 263 V HN 0.329 nan 8.190 nan 0.000 0.447 264 D N -0.721 119.703 120.400 0.041 0.000 2.144 264 D HA -0.175 4.465 4.640 0.001 0.000 0.199 264 D C 2.277 178.588 176.300 0.018 0.000 0.984 264 D CA 1.525 55.548 54.000 0.039 0.000 0.834 264 D CB -0.225 40.598 40.800 0.039 0.000 0.955 264 D HN 0.634 nan 8.370 nan 0.000 0.465 265 Q N -0.038 119.762 119.800 0.000 0.000 2.046 265 Q HA -0.039 4.302 4.340 0.001 0.000 0.200 265 Q C 2.481 178.413 176.000 -0.113 0.000 0.975 265 Q CA 0.724 56.521 55.803 -0.009 0.000 0.836 265 Q CB -0.080 28.653 28.738 -0.007 0.000 0.896 265 Q HN 0.283 nan 8.270 nan 0.000 0.428 266 L N -0.149 120.962 121.223 -0.187 0.000 2.083 266 L HA -0.188 4.153 4.340 0.001 0.000 0.209 266 L C 2.304 178.984 176.870 -0.318 0.000 1.083 266 L CA 0.670 55.305 54.840 -0.341 0.000 0.752 266 L CB -0.437 41.322 42.059 -0.500 0.000 0.899 266 L HN 0.117 nan 8.230 nan 0.000 0.433 267 V N -0.479 119.339 119.914 -0.161 0.000 2.343 267 V HA -0.248 3.873 4.120 0.001 0.000 0.247 267 V C 2.545 178.592 176.094 -0.078 0.000 1.051 267 V CA 1.623 63.871 62.300 -0.087 0.000 1.036 267 V CB -0.456 31.390 31.823 0.038 0.000 0.654 267 V HN 0.427 nan 8.190 nan 0.000 0.451 268 E N -0.099 120.075 120.200 -0.044 0.000 2.110 268 E HA -0.155 4.195 4.350 0.001 0.000 0.193 268 E C 2.143 178.739 176.600 -0.006 0.000 0.988 268 E CA 1.298 57.713 56.400 0.026 0.000 0.804 268 E CB -0.270 29.509 29.700 0.132 0.000 0.745 268 E HN 0.590 nan 8.360 nan 0.000 0.458 269 I N 0.702 121.109 120.570 -0.273 0.000 2.202 269 I HA -0.249 3.921 4.170 0.001 0.000 0.242 269 I C 2.441 178.418 176.117 -0.234 0.000 1.091 269 I CA 0.880 61.808 61.300 -0.621 0.000 1.368 269 I CB -0.251 37.334 38.000 -0.692 0.000 1.058 269 I HN 0.022 nan 8.210 nan 0.000 0.410 270 I N 0.718 121.202 120.570 -0.143 0.000 2.264 270 I HA -0.298 3.872 4.170 0.001 0.000 0.248 270 I C 2.251 178.362 176.117 -0.010 0.000 1.111 270 I CA 1.442 62.717 61.300 -0.041 0.000 1.382 270 I CB -0.337 37.583 38.000 -0.134 0.000 1.060 270 I HN 0.176 nan 8.210 nan 0.000 0.418 271 K N -0.063 120.308 120.400 -0.049 0.000 2.442 271 K HA -0.052 4.269 4.320 0.001 0.000 0.198 271 K C 1.734 178.251 176.600 -0.138 0.000 1.042 271 K CA 0.787 57.022 56.287 -0.087 0.000 0.958 271 K CB 0.242 32.648 32.500 -0.157 0.000 0.766 271 K HN 0.260 nan 8.250 nan 0.000 0.474 272 V N 0.410 120.262 119.914 -0.103 0.000 2.743 272 V HA -0.035 4.086 4.120 0.001 0.000 0.237 272 V C 1.784 177.729 176.094 -0.248 0.000 1.113 272 V CA 0.629 62.787 62.300 -0.237 0.000 1.141 272 V CB 0.023 31.672 31.823 -0.290 0.000 0.873 272 V HN 0.171 nan 8.190 nan 0.000 0.486 273 L N 0.328 121.460 121.223 -0.152 0.000 2.446 273 L HA 0.420 4.761 4.340 0.001 0.000 0.219 273 L C 1.151 178.074 176.870 0.089 0.000 1.116 273 L CA 0.894 55.685 54.840 -0.080 0.000 0.844 273 L CB -0.611 41.319 42.059 -0.216 0.000 0.970 273 L HN 0.574 nan 8.230 nan 0.000 0.457 274 G N 0.172 109.035 108.800 0.106 0.000 2.746 274 G HA2 -0.210 3.751 3.960 0.001 0.000 0.685 274 G HA3 -0.210 3.751 3.960 0.001 0.000 0.685 274 G C -0.201 174.803 174.900 0.174 0.000 1.350 274 G CA -0.663 44.510 45.100 0.122 0.000 0.837 274 G HN -0.010 nan 8.290 nan 0.000 0.564 275 T N 3.930 118.535 114.554 0.086 0.000 2.902 275 T HA 0.443 4.793 4.350 0.001 0.000 0.301 275 T C -1.376 173.287 174.700 -0.061 0.000 1.012 275 T CA 0.473 62.583 62.100 0.015 0.000 1.151 275 T CB 0.959 69.847 68.868 0.033 0.000 0.946 275 T HN 0.656 nan 8.240 nan 0.000 0.542 276 P HA 0.155 nan 4.420 nan 0.000 0.274 276 P C 0.321 177.500 177.300 -0.201 0.000 1.231 276 P CA -0.497 62.279 63.100 -0.541 0.000 0.790 276 P CB 0.295 31.361 31.700 -1.056 0.000 0.951 277 T N -2.049 112.434 114.554 -0.119 0.000 2.766 277 T HA 0.321 4.672 4.350 0.001 0.000 0.295 277 T C 1.679 176.362 174.700 -0.027 0.000 1.024 277 T CA 0.099 62.176 62.100 -0.037 0.000 1.018 277 T CB 0.148 69.013 68.868 -0.004 0.000 1.002 277 T HN 0.443 nan 8.240 nan 0.000 0.532 278 R N 0.203 120.709 120.500 0.011 0.000 2.148 278 R HA 0.131 4.472 4.340 0.001 0.000 0.227 278 R C 2.658 178.968 176.300 0.017 0.000 1.103 278 R CA 2.174 58.303 56.100 0.048 0.000 0.983 278 R CB -2.103 28.173 30.300 -0.041 0.000 0.874 278 R HN 1.002 nan 8.270 nan 0.000 0.451 279 E N 0.813 121.010 120.200 -0.006 0.000 2.072 279 E HA -0.207 4.144 4.350 0.001 0.000 0.190 279 E C 2.078 178.670 176.600 -0.013 0.000 0.982 279 E CA 1.267 57.664 56.400 -0.004 0.000 0.803 279 E CB -0.541 29.162 29.700 0.004 0.000 0.755 279 E HN 0.839 nan 8.360 nan 0.000 0.453 280 Q N -0.675 119.107 119.800 -0.029 0.000 2.135 280 Q HA -0.082 4.259 4.340 0.001 0.000 0.204 280 Q C 2.329 178.257 176.000 -0.119 0.000 0.981 280 Q CA 1.395 57.169 55.803 -0.047 0.000 0.856 280 Q CB -0.133 28.558 28.738 -0.079 0.000 0.902 280 Q HN 0.484 nan 8.270 nan 0.000 0.425 281 I N 0.423 120.890 120.570 -0.172 0.000 2.226 281 I HA -0.257 3.913 4.170 0.001 0.000 0.245 281 I C 2.392 178.399 176.117 -0.183 0.000 1.100 281 I CA 1.416 62.545 61.300 -0.285 0.000 1.374 281 I CB -0.877 36.971 38.000 -0.254 0.000 1.057 281 I HN 0.258 nan 8.210 nan 0.000 0.413 282 R N 1.102 121.559 120.500 -0.072 0.000 2.092 282 R HA -0.183 4.157 4.340 0.001 0.000 0.231 282 R C 2.076 178.357 176.300 -0.032 0.000 1.119 282 R CA 1.487 57.566 56.100 -0.036 0.000 0.970 282 R CB 0.017 30.314 30.300 -0.006 0.000 0.864 282 R HN 0.346 nan 8.270 nan 0.000 0.440 283 E N -0.040 120.146 120.200 -0.023 0.000 2.106 283 E HA -0.153 4.197 4.350 0.001 0.000 0.192 283 E C 2.031 178.633 176.600 0.004 0.000 0.984 283 E CA 1.606 58.009 56.400 0.004 0.000 0.806 283 E CB 0.013 29.731 29.700 0.030 0.000 0.750 283 E HN 0.365 nan 8.360 nan 0.000 0.458 284 M N -0.019 119.564 119.600 -0.027 0.000 2.254 284 M HA -0.056 4.424 4.480 0.001 0.000 0.265 284 M C 0.432 176.715 176.300 -0.029 0.000 1.066 284 M CA 0.401 55.690 55.300 -0.018 0.000 1.123 284 M CB -0.111 32.461 32.600 -0.047 0.000 1.388 284 M HN -0.001 nan 8.290 nan 0.000 0.425 285 N N 0.722 119.373 118.700 -0.082 0.000 2.648 285 N HA -0.079 4.662 4.740 0.001 0.000 0.265 285 N C -2.721 172.764 175.510 -0.043 0.000 1.100 285 N CA 0.083 53.100 53.050 -0.056 0.000 0.715 285 N CB -0.639 37.844 38.487 -0.007 0.000 0.881 285 N HN 0.093 nan 8.380 nan 0.000 0.548 286 P HA 0.073 nan 4.420 nan 0.000 0.270 286 P C 0.835 178.149 177.300 0.025 0.000 1.223 286 P CA -0.259 62.813 63.100 -0.047 0.000 0.785 286 P CB 0.462 32.007 31.700 -0.259 0.000 0.923 287 N N 1.128 119.885 118.700 0.095 0.000 2.166 287 N HA -0.161 4.579 4.740 0.001 0.000 0.186 287 N C -0.128 175.495 175.510 0.187 0.000 1.019 287 N CA 1.542 54.665 53.050 0.121 0.000 0.856 287 N CB -0.633 37.932 38.487 0.129 0.000 0.993 287 N HN 0.545 nan 8.380 nan 0.000 0.426 288 Y N -1.615 118.697 120.300 0.020 0.000 2.521 288 Y HA 0.459 5.010 4.550 0.001 0.000 0.326 288 Y C -1.529 174.356 175.900 -0.024 0.000 1.176 288 Y CA -0.866 57.233 58.100 -0.002 0.000 1.079 288 Y CB 0.992 39.462 38.460 0.016 0.000 1.341 288 Y HN 0.041 nan 8.280 nan 0.000 0.456 289 T N 3.621 117.423 114.554 -1.254 0.000 2.853 289 T HA 0.357 4.708 4.350 0.001 0.000 0.311 289 T C -0.383 173.643 174.700 -1.123 0.000 1.307 289 T CA -0.414 61.063 62.100 -1.039 0.000 1.019 289 T CB 1.742 70.189 68.868 -0.702 0.000 1.264 289 T HN 0.810 nan 8.240 nan 0.000 0.497 290 E N 1.101 120.927 120.200 -0.622 0.000 2.476 290 E HA 0.231 4.582 4.350 0.001 0.000 0.199 290 E C -0.421 176.217 176.600 0.063 0.000 1.021 290 E CA -0.109 56.172 56.400 -0.199 0.000 0.907 290 E CB 0.046 29.695 29.700 -0.084 0.000 0.974 290 E HN 0.707 nan 8.360 nan 0.000 0.489 291 F N 0.398 120.279 119.950 -0.116 0.000 3.090 291 F HA -0.267 4.261 4.527 0.001 0.000 0.282 291 F C 0.706 176.486 175.800 -0.033 0.000 0.923 291 F CA 0.478 58.453 58.000 -0.042 0.000 0.977 291 F CB -1.689 37.275 39.000 -0.060 0.000 0.954 291 F HN -0.073 nan 8.300 nan 0.000 0.695 292 K N -0.563 119.833 120.400 -0.007 0.000 2.514 292 K HA 0.305 4.625 4.320 0.001 0.000 0.207 292 K C 0.040 176.567 176.600 -0.122 0.000 1.035 292 K CA -0.298 55.953 56.287 -0.059 0.000 1.113 292 K CB 0.307 32.749 32.500 -0.096 0.000 0.846 292 K HN 0.124 nan 8.250 nan 0.000 0.491 293 F N 2.239 122.204 119.950 0.024 0.000 2.389 293 F HA 0.225 4.753 4.527 0.001 0.000 0.337 293 F C -1.376 174.440 175.800 0.026 0.000 1.112 293 F CA -2.382 55.629 58.000 0.019 0.000 1.192 293 F CB 0.220 39.229 39.000 0.015 0.000 1.185 293 F HN 0.029 nan 8.300 nan 0.000 0.552 294 P HA -0.025 nan 4.420 nan 0.000 0.270 294 P C -1.172 176.204 177.300 0.127 0.000 1.223 294 P CA -0.455 62.727 63.100 0.136 0.000 0.785 294 P CB 0.579 32.344 31.700 0.108 0.000 0.923 295 Q N 1.411 121.263 119.800 0.086 0.000 2.369 295 Q HA 0.351 4.692 4.340 0.001 0.000 0.247 295 Q C -1.141 174.893 176.000 0.056 0.000 1.083 295 Q CA 0.238 56.082 55.803 0.067 0.000 0.905 295 Q CB -0.972 27.796 28.738 0.049 0.000 1.305 295 Q HN 0.245 nan 8.270 nan 0.000 0.465 296 I N 2.773 123.379 120.570 0.059 0.000 2.441 296 I HA 0.514 4.685 4.170 0.001 0.000 0.295 296 I C 0.260 176.398 176.117 0.035 0.000 0.994 296 I CA -0.275 61.059 61.300 0.057 0.000 1.144 296 I CB 1.736 39.787 38.000 0.085 0.000 1.314 296 I HN 0.496 nan 8.210 nan 0.000 0.445 297 K N 4.058 124.452 120.400 -0.010 0.000 2.144 297 K HA 0.877 5.197 4.320 0.001 0.000 0.270 297 K C 0.202 176.745 176.600 -0.094 0.000 1.005 297 K CA -0.262 55.994 56.287 -0.051 0.000 0.932 297 K CB 0.638 33.084 32.500 -0.089 0.000 1.021 297 K HN 0.877 nan 8.250 nan 0.000 0.462 298 A N 1.716 124.502 122.820 -0.056 0.000 2.520 298 A HA 0.420 4.741 4.320 0.001 0.000 0.235 298 A C -0.357 177.114 177.584 -0.187 0.000 1.065 298 A CA 0.101 52.108 52.037 -0.050 0.000 0.764 298 A CB -0.417 18.572 19.000 -0.018 0.000 1.002 298 A HN 0.865 nan 8.150 nan 0.000 0.502 299 H N 1.626 120.603 119.070 -0.155 0.000 2.458 299 H HA 0.437 4.994 4.556 0.001 0.000 0.330 299 H C -2.192 173.020 175.328 -0.194 0.000 1.111 299 H CA -1.574 54.379 56.048 -0.158 0.000 1.245 299 H CB 0.587 30.241 29.762 -0.180 0.000 1.456 299 H HN 0.465 nan 8.280 nan 0.000 0.488 300 P HA -0.128 nan 4.420 nan 0.000 0.261 300 P C 0.270 177.605 177.300 0.057 0.000 1.203 300 P CA 0.195 63.311 63.100 0.028 0.000 0.767 300 P CB 0.385 32.113 31.700 0.047 0.000 0.785 301 W N 2.576 123.907 121.300 0.053 0.000 2.308 301 W HA -0.215 4.446 4.660 0.001 0.000 0.301 301 W C 2.250 178.827 176.519 0.097 0.000 1.220 301 W CA 1.805 59.186 57.345 0.061 0.000 1.240 301 W CB -1.137 28.376 29.460 0.089 0.000 1.142 301 W HN 0.294 nan 8.180 nan 0.000 0.521 302 T N -0.025 114.725 114.554 0.327 0.000 2.759 302 T HA -0.233 4.118 4.350 0.001 0.000 0.269 302 T C 1.989 176.798 174.700 0.182 0.000 1.042 302 T CA 2.305 64.552 62.100 0.244 0.000 1.140 302 T CB -0.510 68.451 68.868 0.156 0.000 0.864 302 T HN 0.322 nan 8.240 nan 0.000 0.455 303 K N 0.884 121.347 120.400 0.105 0.000 2.486 303 K HA 0.253 4.573 4.320 0.001 0.000 0.194 303 K C 2.239 178.814 176.600 -0.043 0.000 1.033 303 K CA 0.461 56.772 56.287 0.039 0.000 1.004 303 K CB -0.944 31.572 32.500 0.026 0.000 0.798 303 K HN 0.347 nan 8.250 nan 0.000 0.495 304 V N 0.398 120.245 119.914 -0.112 0.000 2.427 304 V HA 0.064 4.184 4.120 0.001 0.000 0.248 304 V C 0.851 176.641 176.094 -0.507 0.000 1.051 304 V CA 0.857 62.915 62.300 -0.403 0.000 1.048 304 V CB -0.559 30.890 31.823 -0.623 0.000 0.666 304 V HN 0.549 nan 8.190 nan 0.000 0.456 305 F N -0.056 119.913 119.950 0.031 0.000 2.457 305 F HA 0.508 5.036 4.527 0.001 0.000 0.330 305 F C 0.947 176.748 175.800 0.002 0.000 1.069 305 F CA -1.438 56.566 58.000 0.006 0.000 1.009 305 F CB 0.294 39.296 39.000 0.003 0.000 1.276 305 F HN -0.002 nan 8.300 nan 0.000 0.492 306 R N 1.629 122.254 120.500 0.209 0.000 2.734 306 R HA 0.176 4.516 4.340 0.001 0.000 0.266 306 R C -2.153 174.208 176.300 0.101 0.000 1.044 306 R CA -1.009 55.158 56.100 0.111 0.000 1.128 306 R CB -0.383 29.967 30.300 0.083 0.000 1.010 306 R HN 0.271 nan 8.270 nan 0.000 0.461 307 P HA -0.241 nan 4.420 nan 0.000 0.221 307 P C 0.326 177.655 177.300 0.048 0.000 1.160 307 P CA 1.844 64.977 63.100 0.054 0.000 0.933 307 P CB -0.031 31.692 31.700 0.038 0.000 0.793 308 R N -1.206 119.317 120.500 0.039 0.000 2.391 308 R HA 0.156 4.497 4.340 0.001 0.000 0.249 308 R C 0.254 176.565 176.300 0.017 0.000 0.957 308 R CA -0.029 56.087 56.100 0.026 0.000 1.093 308 R CB -0.545 29.767 30.300 0.020 0.000 1.156 308 R HN 0.152 nan 8.270 nan 0.000 0.526 309 T N 3.628 118.195 114.554 0.021 0.000 2.908 309 T HA 0.055 4.406 4.350 0.001 0.000 0.301 309 T C -2.228 172.447 174.700 -0.040 0.000 1.019 309 T CA -0.796 61.288 62.100 -0.028 0.000 1.152 309 T CB 0.650 69.486 68.868 -0.053 0.000 0.966 309 T HN -0.010 nan 8.240 nan 0.000 0.540 310 P HA 0.084 nan 4.420 nan 0.000 0.264 310 P C -1.693 175.576 177.300 -0.051 0.000 1.193 310 P CA -1.312 61.782 63.100 -0.010 0.000 0.763 310 P CB 0.170 31.911 31.700 0.068 0.000 0.810 311 P HA -0.179 nan 4.420 nan 0.000 0.218 311 P C 0.887 178.158 177.300 -0.048 0.000 1.148 311 P CA 1.519 64.603 63.100 -0.027 0.000 0.822 311 P CB 0.150 31.851 31.700 0.001 0.000 0.784 312 E N 0.106 120.308 120.200 0.002 0.000 2.204 312 E HA -0.065 4.286 4.350 0.001 0.000 0.194 312 E C 2.198 178.710 176.600 -0.147 0.000 0.989 312 E CA 1.261 57.700 56.400 0.065 0.000 0.824 312 E CB -1.050 28.760 29.700 0.183 0.000 0.756 312 E HN 0.207 nan 8.360 nan 0.000 0.477 313 A N 0.743 123.335 122.820 -0.380 0.000 1.898 313 A HA -0.133 4.188 4.320 0.001 0.000 0.216 313 A C 2.208 179.309 177.584 -0.805 0.000 1.181 313 A CA 1.113 52.510 52.037 -1.067 0.000 0.620 313 A CB -0.583 17.882 19.000 -0.892 0.000 0.819 313 A HN 0.192 nan 8.150 nan 0.000 0.442 314 I N -0.177 120.072 120.570 -0.535 0.000 2.179 314 I HA -0.258 3.912 4.170 0.001 0.000 0.242 314 I C 2.957 178.831 176.117 -0.404 0.000 1.088 314 I CA 1.078 62.134 61.300 -0.406 0.000 1.357 314 I CB -0.361 37.568 38.000 -0.119 0.000 1.051 314 I HN 0.338 nan 8.210 nan 0.000 0.409 315 A N 0.757 123.414 122.820 -0.273 0.000 1.902 315 A HA -0.205 4.116 4.320 0.001 0.000 0.217 315 A C 2.254 179.643 177.584 -0.324 0.000 1.181 315 A CA 1.476 53.399 52.037 -0.191 0.000 0.623 315 A CB -0.795 18.210 19.000 0.010 0.000 0.818 315 A HN 0.375 nan 8.150 nan 0.000 0.443 316 L N -0.002 120.892 121.223 -0.548 0.000 2.012 316 L HA -0.189 4.152 4.340 0.001 0.000 0.210 316 L C 2.489 178.993 176.870 -0.610 0.000 1.073 316 L CA 2.201 56.529 54.840 -0.853 0.000 0.748 316 L CB -1.132 40.276 42.059 -1.086 0.000 0.891 316 L HN 0.470 nan 8.230 nan 0.000 0.431 317 C N -0.428 118.471 119.300 -0.668 0.000 2.413 317 C HA -0.167 4.293 4.460 0.001 0.000 0.276 317 C C 3.214 177.688 174.990 -0.861 0.000 1.248 317 C CA 1.261 59.855 59.018 -0.707 0.000 1.742 317 C CB -1.367 25.882 27.740 -0.818 0.000 2.017 317 C HN 0.825 nan 8.230 nan 0.000 0.481 318 S N 0.565 115.630 115.700 -1.057 0.000 2.442 318 S HA -0.118 4.353 4.470 0.001 0.000 0.236 318 S C 1.728 176.135 174.600 -0.322 0.000 1.007 318 S CA 1.107 58.750 58.200 -0.929 0.000 0.965 318 S CB -0.356 62.366 63.200 -0.797 0.000 0.773 318 S HN 0.573 nan 8.310 nan 0.000 0.504 319 R N 0.365 120.695 120.500 -0.284 0.000 2.300 319 R HA 0.413 4.754 4.340 0.001 0.000 0.199 319 R C 1.728 177.973 176.300 -0.092 0.000 0.920 319 R CA 0.205 56.229 56.100 -0.126 0.000 1.046 319 R CB -0.525 29.720 30.300 -0.093 0.000 0.984 319 R HN 0.477 nan 8.270 nan 0.000 0.493 320 L N -0.209 120.921 121.223 -0.155 0.000 2.269 320 L HA 0.182 4.523 4.340 0.001 0.000 0.200 320 L C 0.958 177.798 176.870 -0.050 0.000 1.069 320 L CA 0.363 55.158 54.840 -0.073 0.000 0.804 320 L CB -0.017 41.984 42.059 -0.096 0.000 0.987 320 L HN -0.054 nan 8.230 nan 0.000 0.468 321 L N 2.058 123.172 121.223 -0.183 0.000 2.423 321 L HA 0.177 4.518 4.340 0.001 0.000 0.249 321 L C -0.303 176.638 176.870 0.118 0.000 1.276 321 L CA 0.066 54.729 54.840 -0.295 0.000 1.199 321 L CB -0.376 41.541 42.059 -0.238 0.000 1.407 321 L HN 0.215 nan 8.230 nan 0.000 0.410 322 E N -0.165 120.214 120.200 0.298 0.000 2.227 322 E HA 0.164 4.514 4.350 0.001 0.000 0.268 322 E C -0.190 176.627 176.600 0.361 0.000 0.907 322 E CA -0.749 55.818 56.400 0.278 0.000 0.786 322 E CB 1.831 31.660 29.700 0.216 0.000 1.191 322 E HN 0.146 nan 8.360 nan 0.000 0.411 323 Y N 1.219 121.701 120.300 0.303 0.000 2.114 323 Y HA -0.136 4.415 4.550 0.001 0.000 0.284 323 Y C 1.439 177.408 175.900 0.116 0.000 1.143 323 Y CA 1.086 59.283 58.100 0.163 0.000 1.135 323 Y CB -0.413 38.106 38.460 0.098 0.000 0.980 323 Y HN 0.310 nan 8.280 nan 0.000 0.499 324 T N 3.561 118.290 114.554 0.293 0.000 2.761 324 T HA 0.009 4.359 4.350 0.001 0.000 0.287 324 T C -1.689 173.113 174.700 0.170 0.000 0.931 324 T CA -0.848 61.363 62.100 0.184 0.000 1.164 324 T CB 0.759 69.715 68.868 0.146 0.000 0.876 324 T HN 0.099 nan 8.240 nan 0.000 0.534 325 P HA -0.113 nan 4.420 nan 0.000 0.218 325 P C 1.842 179.217 177.300 0.126 0.000 1.148 325 P CA 0.974 64.160 63.100 0.143 0.000 0.822 325 P CB -0.107 31.663 31.700 0.116 0.000 0.784 326 T N -3.470 111.144 114.554 0.099 0.000 2.995 326 T HA 0.068 4.418 4.350 0.001 0.000 0.269 326 T C 1.802 176.552 174.700 0.083 0.000 1.091 326 T CA 0.926 63.074 62.100 0.080 0.000 1.128 326 T CB -0.897 68.007 68.868 0.060 0.000 0.891 326 T HN -0.005 nan 8.240 nan 0.000 0.492 327 A N 1.395 124.275 122.820 0.099 0.000 2.119 327 A HA 0.232 4.553 4.320 0.001 0.000 0.216 327 A C 1.427 179.067 177.584 0.094 0.000 1.152 327 A CA -0.239 51.855 52.037 0.094 0.000 0.708 327 A CB -0.349 18.716 19.000 0.110 0.000 0.805 327 A HN 0.518 nan 8.150 nan 0.000 0.460 328 R N -0.175 120.394 120.500 0.115 0.000 2.643 328 R HA 0.390 4.731 4.340 0.001 0.000 0.270 328 R C -0.390 175.953 176.300 0.071 0.000 1.061 328 R CA -0.412 55.753 56.100 0.109 0.000 1.107 328 R CB 0.371 30.770 30.300 0.165 0.000 0.999 328 R HN 0.326 nan 8.270 nan 0.000 0.460 329 L N 1.379 122.621 121.223 0.032 0.000 2.492 329 L HA 0.017 4.358 4.340 0.001 0.000 0.280 329 L C 1.210 178.092 176.870 0.020 0.000 1.240 329 L CA 0.223 55.063 54.840 0.001 0.000 0.831 329 L CB 0.154 42.170 42.059 -0.070 0.000 1.100 329 L HN 0.774 nan 8.230 nan 0.000 0.505 330 T N -1.681 112.882 114.554 0.014 0.000 2.881 330 T HA 0.282 4.632 4.350 0.001 0.000 0.278 330 T C -1.970 172.725 174.700 -0.008 0.000 0.982 330 T CA -1.800 60.333 62.100 0.056 0.000 0.989 330 T CB 1.461 70.364 68.868 0.059 0.000 1.058 330 T HN 0.316 nan 8.240 nan 0.000 0.529 331 P HA -0.036 nan 4.420 nan 0.000 0.215 331 P C 1.652 178.907 177.300 -0.075 0.000 1.153 331 P CA 0.381 63.488 63.100 0.012 0.000 0.853 331 P CB -0.040 31.714 31.700 0.090 0.000 0.788 332 L N -0.075 121.132 121.223 -0.026 0.000 2.083 332 L HA -0.156 4.185 4.340 0.001 0.000 0.209 332 L C 2.063 178.894 176.870 -0.064 0.000 1.083 332 L CA 1.900 56.712 54.840 -0.047 0.000 0.752 332 L CB -1.114 40.920 42.059 -0.043 0.000 0.899 332 L HN -0.052 nan 8.230 nan 0.000 0.433 333 E N -0.919 119.249 120.200 -0.054 0.000 2.106 333 E HA -0.192 4.159 4.350 0.001 0.000 0.192 333 E C 2.201 178.780 176.600 -0.034 0.000 0.984 333 E CA 1.003 57.383 56.400 -0.034 0.000 0.806 333 E CB -0.273 29.415 29.700 -0.020 0.000 0.750 333 E HN 0.609 nan 8.360 nan 0.000 0.458 334 A N 0.713 123.422 122.820 -0.185 0.000 1.902 334 A HA -0.205 4.116 4.320 0.001 0.000 0.217 334 A C 2.381 179.992 177.584 0.045 0.000 1.181 334 A CA 1.174 53.017 52.037 -0.325 0.000 0.623 334 A CB -0.908 17.283 19.000 -1.350 0.000 0.818 334 A HN 0.380 nan 8.150 nan 0.000 0.443 335 C N -0.971 118.293 119.300 -0.061 0.000 2.411 335 C HA 0.025 4.486 4.460 0.001 0.000 0.279 335 C C 3.061 178.243 174.990 0.320 0.000 1.288 335 C CA 0.906 59.915 59.018 -0.016 0.000 1.764 335 C CB -1.284 26.360 27.740 -0.160 0.000 1.974 335 C HN 0.679 nan 8.230 nan 0.000 0.498 336 A N -1.453 121.493 122.820 0.211 0.000 2.238 336 A HA 0.029 4.349 4.320 0.001 0.000 0.208 336 A C 0.942 178.665 177.584 0.233 0.000 1.177 336 A CA 0.212 52.364 52.037 0.193 0.000 0.804 336 A CB -0.733 18.302 19.000 0.059 0.000 0.823 336 A HN 0.782 nan 8.150 nan 0.000 0.482 337 H N 0.800 120.012 119.070 0.237 0.000 2.836 337 H HA 0.076 4.633 4.556 0.001 0.000 0.368 337 H C 1.571 176.984 175.328 0.142 0.000 1.164 337 H CA 0.990 57.123 56.048 0.143 0.000 1.425 337 H CB 1.059 30.867 29.762 0.077 0.000 1.414 337 H HN 0.359 nan 8.280 nan 0.000 0.614 338 S N 3.644 119.219 115.700 -0.208 0.000 2.481 338 S HA -0.170 4.301 4.470 0.001 0.000 0.231 338 S C 1.976 176.638 174.600 0.104 0.000 0.996 338 S CA 0.486 58.659 58.200 -0.045 0.000 0.942 338 S CB -0.427 62.680 63.200 -0.155 0.000 0.768 338 S HN 0.627 nan 8.310 nan 0.000 0.520 339 F N 2.368 122.369 119.950 0.086 0.000 2.202 339 F HA 0.074 4.602 4.527 0.001 0.000 0.301 339 F C 1.038 176.684 175.800 -0.257 0.000 1.082 339 F CA 0.519 58.403 58.000 -0.194 0.000 1.313 339 F CB -0.502 38.208 39.000 -0.483 0.000 1.024 339 F HN 0.194 nan 8.300 nan 0.000 0.495 340 F N 0.191 120.189 119.950 0.079 0.000 2.797 340 F HA 0.088 4.615 4.527 0.001 0.000 0.302 340 F C 1.824 177.597 175.800 -0.046 0.000 1.130 340 F CA -0.119 57.857 58.000 -0.041 0.000 1.387 340 F CB -0.980 38.153 39.000 0.222 0.000 1.107 340 F HN -0.107 nan 8.300 nan 0.000 0.577 341 D N 0.697 121.149 120.400 0.086 0.000 2.149 341 D HA -0.240 4.400 4.640 0.001 0.000 0.198 341 D C 2.182 178.488 176.300 0.010 0.000 0.990 341 D CA 1.279 55.309 54.000 0.050 0.000 0.839 341 D CB -0.230 40.577 40.800 0.012 0.000 0.948 341 D HN 0.430 nan 8.370 nan 0.000 0.460 342 E N 0.310 120.481 120.200 -0.049 0.000 2.160 342 E HA -0.161 4.190 4.350 0.001 0.000 0.195 342 E C 2.051 178.624 176.600 -0.045 0.000 0.991 342 E CA 0.601 56.959 56.400 -0.070 0.000 0.810 342 E CB -0.091 29.529 29.700 -0.132 0.000 0.742 342 E HN 0.280 nan 8.360 nan 0.000 0.466 343 L N -0.085 121.115 121.223 -0.039 0.000 2.275 343 L HA -0.060 4.281 4.340 0.001 0.000 0.215 343 L C 2.335 179.290 176.870 0.141 0.000 1.119 343 L CA 0.751 55.566 54.840 -0.042 0.000 0.790 343 L CB -0.206 41.724 42.059 -0.214 0.000 0.919 343 L HN 0.040 nan 8.230 nan 0.000 0.443 344 R N -0.520 120.070 120.500 0.150 0.000 2.310 344 R HA 0.023 4.364 4.340 0.001 0.000 0.202 344 R C 0.271 176.653 176.300 0.136 0.000 0.933 344 R CA -0.176 56.022 56.100 0.163 0.000 1.054 344 R CB -0.018 30.307 30.300 0.042 0.000 0.985 344 R HN 0.154 nan 8.270 nan 0.000 0.489 345 D N 1.704 122.153 120.400 0.082 0.000 2.371 345 D HA 0.013 4.653 4.640 0.001 0.000 0.256 345 D C -1.400 174.869 176.300 -0.051 0.000 1.193 345 D CA -1.992 52.017 54.000 0.014 0.000 0.881 345 D CB 1.506 42.292 40.800 -0.024 0.000 1.143 345 D HN -0.026 nan 8.370 nan 0.000 0.473 346 P HA -0.118 nan 4.420 nan 0.000 0.221 346 P C 0.093 177.212 177.300 -0.302 0.000 1.145 346 P CA 1.005 63.740 63.100 -0.609 0.000 0.795 346 P CB 0.215 31.552 31.700 -0.605 0.000 0.775 347 N N -0.445 118.156 118.700 -0.164 0.000 2.268 347 N HA 0.080 4.821 4.740 0.001 0.000 0.204 347 N C 0.049 175.509 175.510 -0.083 0.000 1.124 347 N CA -0.341 52.643 53.050 -0.110 0.000 0.838 347 N CB 0.183 38.618 38.487 -0.086 0.000 0.994 347 N HN 0.037 nan 8.380 nan 0.000 0.489 348 V N -0.724 119.144 119.914 -0.076 0.000 2.655 348 V HA 0.296 4.417 4.120 0.001 0.000 0.300 348 V C 0.205 176.258 176.094 -0.067 0.000 1.044 348 V CA -0.281 61.978 62.300 -0.069 0.000 1.095 348 V CB 0.816 32.602 31.823 -0.061 0.000 0.952 348 V HN 0.014 nan 8.190 nan 0.000 0.485 349 K N 3.049 123.403 120.400 -0.078 0.000 2.480 349 K HA 0.609 4.930 4.320 0.001 0.000 0.258 349 K C -1.026 175.517 176.600 -0.096 0.000 0.990 349 K CA -1.080 55.165 56.287 -0.069 0.000 0.857 349 K CB 2.272 34.739 32.500 -0.054 0.000 1.384 349 K HN 0.473 nan 8.250 nan 0.000 0.446 350 L N 2.429 123.606 121.223 -0.077 0.000 2.464 350 L HA 0.163 4.503 4.340 0.001 0.000 0.264 350 L C -1.242 175.583 176.870 -0.074 0.000 1.199 350 L CA -1.504 53.280 54.840 -0.093 0.000 0.818 350 L CB -0.321 41.736 42.059 -0.004 0.000 1.102 350 L HN 0.409 nan 8.230 nan 0.000 0.473 351 P HA -0.139 nan 4.420 nan 0.000 0.218 351 P C 0.726 178.035 177.300 0.016 0.000 1.148 351 P CA 1.190 64.270 63.100 -0.033 0.000 0.822 351 P CB -0.032 31.676 31.700 0.012 0.000 0.784 352 N N -0.769 117.961 118.700 0.050 0.000 2.551 352 N HA 0.044 4.785 4.740 0.001 0.000 0.199 352 N C 1.245 176.768 175.510 0.021 0.000 1.277 352 N CA 0.988 54.066 53.050 0.046 0.000 0.870 352 N CB -1.068 37.460 38.487 0.069 0.000 1.028 352 N HN 0.141 nan 8.380 nan 0.000 0.452 353 G N -0.410 108.392 108.800 0.004 0.000 2.328 353 G HA2 -0.404 3.557 3.960 0.001 0.000 0.256 353 G HA3 -0.404 3.557 3.960 0.001 0.000 0.256 353 G C 0.406 175.302 174.900 -0.006 0.000 1.014 353 G CA 0.471 45.568 45.100 -0.005 0.000 0.620 353 G HN 0.554 nan 8.290 nan 0.000 0.530 354 R N 0.986 121.488 120.500 0.004 0.000 2.827 354 R HA 0.385 4.726 4.340 0.001 0.000 0.269 354 R C -0.083 176.212 176.300 -0.008 0.000 1.048 354 R CA -0.173 55.929 56.100 0.003 0.000 1.173 354 R CB 0.227 30.537 30.300 0.017 0.000 1.070 354 R HN 0.227 nan 8.270 nan 0.000 0.498 355 D N 0.772 121.167 120.400 -0.009 0.000 2.362 355 D HA 0.037 4.678 4.640 0.001 0.000 0.242 355 D C 0.077 176.364 176.300 -0.022 0.000 1.132 355 D CA 0.129 54.120 54.000 -0.016 0.000 0.907 355 D CB 0.859 41.653 40.800 -0.010 0.000 1.195 355 D HN 0.473 nan 8.370 nan 0.000 0.429 356 T N -0.611 113.921 114.554 -0.037 0.000 2.860 356 T HA 0.362 4.713 4.350 0.001 0.000 0.299 356 T C -2.069 172.593 174.700 -0.062 0.000 1.045 356 T CA -1.235 60.830 62.100 -0.059 0.000 1.071 356 T CB 0.582 69.393 68.868 -0.094 0.000 0.985 356 T HN 0.162 nan 8.240 nan 0.000 0.537 357 P HA 0.361 nan 4.420 nan 0.000 0.277 357 P C -0.530 176.684 177.300 -0.143 0.000 1.276 357 P CA -0.686 62.367 63.100 -0.077 0.000 0.788 357 P CB 0.065 31.734 31.700 -0.052 0.000 1.114 358 A N 0.561 123.292 122.820 -0.149 0.000 2.488 358 A HA 0.243 4.563 4.320 0.001 0.000 0.249 358 A C 0.889 178.274 177.584 -0.332 0.000 1.083 358 A CA 0.091 52.002 52.037 -0.209 0.000 0.768 358 A CB -0.911 17.990 19.000 -0.165 0.000 1.017 358 A HN 0.561 nan 8.150 nan 0.000 0.496 359 L N 1.109 121.982 121.223 -0.584 0.000 2.948 359 L HA 0.221 4.562 4.340 0.001 0.000 0.259 359 L C 0.172 176.585 176.870 -0.761 0.000 1.136 359 L CA 0.317 54.699 54.840 -0.764 0.000 0.959 359 L CB 0.276 41.605 42.059 -1.218 0.000 1.370 359 L HN 0.769 nan 8.230 nan 0.000 0.552 360 F N -0.797 119.106 119.950 -0.077 0.000 2.746 360 F HA 0.181 4.709 4.527 0.001 0.000 0.320 360 F C 1.049 176.853 175.800 0.007 0.000 1.097 360 F CA -0.968 57.059 58.000 0.046 0.000 1.195 360 F CB -0.279 38.779 39.000 0.097 0.000 1.056 360 F HN 0.059 nan 8.300 nan 0.000 0.562 361 N N 1.317 119.984 118.700 -0.054 0.000 3.210 361 N HA -0.047 4.693 4.740 0.001 0.000 0.314 361 N C -0.616 174.849 175.510 -0.075 0.000 1.291 361 N CA -0.054 52.980 53.050 -0.027 0.000 1.202 361 N CB -1.229 37.207 38.487 -0.085 0.000 1.475 361 N HN 0.012 nan 8.380 nan 0.000 0.554 362 F N 0.850 120.852 119.950 0.087 0.000 2.529 362 F HA 0.122 4.650 4.527 0.001 0.000 0.365 362 F C 1.839 177.683 175.800 0.073 0.000 1.102 362 F CA -0.248 57.805 58.000 0.089 0.000 1.271 362 F CB 0.547 39.609 39.000 0.103 0.000 1.120 362 F HN 0.139 nan 8.300 nan 0.000 0.579 363 T N -1.318 113.394 114.554 0.263 0.000 2.862 363 T HA 0.205 4.555 4.350 0.001 0.000 0.276 363 T C 1.148 175.954 174.700 0.177 0.000 0.974 363 T CA -0.545 61.669 62.100 0.189 0.000 0.966 363 T CB 1.156 70.128 68.868 0.174 0.000 1.072 363 T HN 0.557 nan 8.240 nan 0.000 0.538 364 T N 0.365 114.989 114.554 0.118 0.000 2.708 364 T HA -0.133 4.218 4.350 0.001 0.000 0.266 364 T C 2.006 176.739 174.700 0.054 0.000 1.037 364 T CA 1.698 63.843 62.100 0.075 0.000 1.146 364 T CB -0.492 68.409 68.868 0.054 0.000 0.865 364 T HN 0.725 nan 8.240 nan 0.000 0.435 365 Q N 1.467 121.301 119.800 0.057 0.000 2.045 365 Q HA -0.156 4.184 4.340 0.001 0.000 0.206 365 Q C 2.111 178.098 176.000 -0.023 0.000 0.991 365 Q CA 2.010 57.794 55.803 -0.031 0.000 0.851 365 Q CB -0.404 28.333 28.738 -0.001 0.000 0.911 365 Q HN 0.612 nan 8.270 nan 0.000 0.418 366 E N -0.897 119.391 120.200 0.147 0.000 2.118 366 E HA -0.149 4.201 4.350 0.001 0.000 0.195 366 E C 1.540 178.228 176.600 0.147 0.000 0.992 366 E CA 1.183 57.724 56.400 0.236 0.000 0.804 366 E CB -0.038 29.927 29.700 0.442 0.000 0.741 366 E HN 0.423 nan 8.360 nan 0.000 0.458 367 L N 0.173 121.454 121.223 0.096 0.000 2.567 367 L HA 0.014 4.355 4.340 0.001 0.000 0.225 367 L C 2.288 179.146 176.870 -0.020 0.000 1.119 367 L CA 0.346 55.188 54.840 0.004 0.000 0.871 367 L CB 0.028 42.078 42.059 -0.015 0.000 1.036 367 L HN 0.123 nan 8.230 nan 0.000 0.459 368 S N -0.242 115.445 115.700 -0.022 0.000 2.407 368 S HA -0.281 4.190 4.470 0.001 0.000 0.235 368 S C 2.224 176.803 174.600 -0.036 0.000 1.036 368 S CA 1.653 59.830 58.200 -0.038 0.000 1.013 368 S CB -0.679 62.481 63.200 -0.066 0.000 0.820 368 S HN 0.589 nan 8.310 nan 0.000 0.476 369 S N 1.702 117.382 115.700 -0.033 0.000 2.368 369 S HA -0.044 4.426 4.470 0.001 0.000 0.225 369 S C 0.961 175.548 174.600 -0.021 0.000 1.030 369 S CA 1.129 59.317 58.200 -0.020 0.000 0.999 369 S CB -0.543 62.656 63.200 -0.003 0.000 0.844 369 S HN 0.593 nan 8.310 nan 0.000 0.459 370 N N 0.768 119.449 118.700 -0.031 0.000 2.751 370 N HA 0.363 5.104 4.740 0.001 0.000 0.234 370 N C -2.774 172.706 175.510 -0.049 0.000 1.403 370 N CA -1.653 51.376 53.050 -0.035 0.000 0.747 370 N CB 1.230 39.697 38.487 -0.034 0.000 1.326 370 N HN -0.044 nan 8.380 nan 0.000 0.532 371 P HA -0.116 nan 4.420 nan 0.000 0.218 371 P C -1.450 175.818 177.300 -0.052 0.000 1.154 371 P CA 1.416 64.491 63.100 -0.042 0.000 0.872 371 P CB -0.371 31.314 31.700 -0.025 0.000 0.790 372 P HA -0.081 nan 4.420 nan 0.000 0.225 372 P C 1.358 178.622 177.300 -0.059 0.000 1.148 372 P CA 0.967 64.041 63.100 -0.043 0.000 0.779 372 P CB -0.522 31.159 31.700 -0.032 0.000 0.780 373 L N -1.177 119.999 121.223 -0.078 0.000 2.275 373 L HA -0.115 4.225 4.340 0.001 0.000 0.215 373 L C 2.275 179.065 176.870 -0.133 0.000 1.119 373 L CA 0.885 55.666 54.840 -0.098 0.000 0.790 373 L CB -0.911 41.079 42.059 -0.115 0.000 0.919 373 L HN -0.011 nan 8.230 nan 0.000 0.443 374 A N -0.360 122.375 122.820 -0.142 0.000 2.093 374 A HA -0.259 4.062 4.320 0.001 0.000 0.222 374 A C 2.306 179.836 177.584 -0.091 0.000 1.162 374 A CA 2.343 54.296 52.037 -0.140 0.000 0.655 374 A CB -0.775 18.174 19.000 -0.084 0.000 0.805 374 A HN 0.373 nan 8.150 nan 0.000 0.461 375 T N -0.259 114.251 114.554 -0.073 0.000 2.746 375 T HA -0.097 4.254 4.350 0.001 0.000 0.267 375 T C 1.698 176.362 174.700 -0.059 0.000 1.039 375 T CA 1.767 63.833 62.100 -0.058 0.000 1.142 375 T CB -0.295 68.546 68.868 -0.046 0.000 0.866 375 T HN 0.493 nan 8.240 nan 0.000 0.444 376 I N -0.066 120.471 120.570 -0.055 0.000 2.494 376 I HA 0.064 4.235 4.170 0.001 0.000 0.250 376 I C 2.086 178.189 176.117 -0.022 0.000 1.112 376 I CA 0.551 61.830 61.300 -0.034 0.000 1.438 376 I CB -0.165 37.827 38.000 -0.012 0.000 1.111 376 I HN 0.133 nan 8.210 nan 0.000 0.431 377 L N 0.683 121.884 121.223 -0.037 0.000 2.079 377 L HA -0.121 4.219 4.340 0.001 0.000 0.210 377 L C 0.880 177.825 176.870 0.126 0.000 1.081 377 L CA 1.209 56.069 54.840 0.033 0.000 0.752 377 L CB -0.256 41.609 42.059 -0.323 0.000 0.896 377 L HN 0.157 nan 8.230 nan 0.000 0.433 378 I N 1.800 122.362 120.570 -0.012 0.000 2.313 378 I HA 0.184 4.354 4.170 0.001 0.000 0.286 378 I C -2.013 173.942 176.117 -0.270 0.000 1.091 378 I CA -1.982 59.271 61.300 -0.078 0.000 1.216 378 I CB 0.704 38.716 38.000 0.019 0.000 1.434 378 I HN -0.124 nan 8.210 nan 0.000 0.487 379 P HA 0.092 nan 4.420 nan 0.000 0.268 379 P C -2.213 174.848 177.300 -0.398 0.000 1.208 379 P CA -1.084 61.730 63.100 -0.476 0.000 0.777 379 P CB 0.227 31.513 31.700 -0.689 0.000 0.875 380 P HA -0.227 nan 4.420 nan 0.000 0.216 380 P C 1.440 178.672 177.300 -0.113 0.000 1.154 380 P CA 2.039 65.065 63.100 -0.123 0.000 0.865 380 P CB -0.739 30.930 31.700 -0.051 0.000 0.789 381 H N -1.280 117.728 119.070 -0.104 0.000 2.489 381 H HA 0.103 4.659 4.556 0.001 0.000 0.293 381 H C 1.582 176.870 175.328 -0.067 0.000 1.066 381 H CA 1.389 57.392 56.048 -0.077 0.000 1.305 381 H CB -1.006 28.714 29.762 -0.070 0.000 1.386 381 H HN 0.075 nan 8.280 nan 0.000 0.551 382 A N 1.015 123.509 122.820 -0.543 0.000 2.178 382 A HA 0.112 4.433 4.320 0.001 0.000 0.211 382 A C 1.848 179.363 177.584 -0.115 0.000 1.157 382 A CA 0.152 52.008 52.037 -0.301 0.000 0.780 382 A CB -0.084 18.657 19.000 -0.431 0.000 0.828 382 A HN 0.456 nan 8.150 nan 0.000 0.476 383 R N -0.466 119.964 120.500 -0.116 0.000 2.391 383 R HA 0.334 4.675 4.340 0.001 0.000 0.249 383 R C -0.608 175.679 176.300 -0.022 0.000 0.957 383 R CA -0.076 55.993 56.100 -0.052 0.000 1.093 383 R CB -0.072 30.195 30.300 -0.056 0.000 1.156 383 R HN 0.391 nan 8.270 nan 0.000 0.526 384 I N 1.841 122.406 120.570 -0.009 0.000 2.395 384 I HA 0.073 4.244 4.170 0.001 0.000 0.289 384 I C 1.042 177.168 176.117 0.016 0.000 1.023 384 I CA 0.069 61.376 61.300 0.011 0.000 1.350 384 I CB 1.220 39.238 38.000 0.030 0.000 1.409 384 I HN 0.205 nan 8.210 nan 0.000 0.507 385 Q N 0.000 119.807 119.800 0.012 0.000 2.315 385 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 385 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 385 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 385 Q HN 0.000 nan 8.270 nan 0.000 0.481