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 2xe2_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVDGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.715 177.584 0.219 0.000 1.274 1 A CA 0.000 52.190 52.037 0.255 0.000 0.836 1 A CB 0.000 19.186 19.000 0.311 0.000 0.831 2 E N 2.195 122.487 120.200 0.152 0.000 2.104 2 E HA 0.343 4.696 4.350 0.004 0.000 0.278 2 E C 0.613 177.296 176.600 0.137 0.000 1.127 2 E CA -0.022 56.462 56.400 0.138 0.000 0.897 2 E CB 0.015 29.770 29.700 0.091 0.000 1.043 2 E HN 0.637 nan 8.360 nan 0.000 0.410 3 I N 2.272 122.944 120.570 0.171 0.000 3.956 3 I HA 0.326 4.499 4.170 0.004 0.000 0.333 3 I C -0.579 175.670 176.117 0.219 0.000 1.302 3 I CA -0.489 60.908 61.300 0.162 0.000 1.122 3 I CB 0.231 38.325 38.000 0.157 0.000 1.013 3 I HN 0.345 nan 8.210 nan 0.000 0.405 4 Y N 1.643 121.971 120.300 0.048 0.000 2.424 4 Y HA 0.527 5.079 4.550 0.004 0.000 0.323 4 Y C -1.852 174.068 175.900 0.033 0.000 1.174 4 Y CA -1.104 57.014 58.100 0.030 0.000 1.060 4 Y CB 1.346 39.816 38.460 0.017 0.000 1.314 4 Y HN 0.114 nan 8.280 nan 0.000 0.439 5 N N 5.520 123.930 118.700 -0.484 0.000 2.812 5 N HA 0.281 5.023 4.740 0.004 0.000 0.262 5 N C -2.217 173.035 175.510 -0.429 0.000 1.241 5 N CA -0.385 52.490 53.050 -0.292 0.000 0.854 5 N CB 1.369 39.789 38.487 -0.112 0.000 1.506 5 N HN 0.794 nan 8.380 nan 0.000 0.576 6 K N 2.067 122.223 120.400 -0.405 0.000 2.569 6 K HA 0.213 4.535 4.320 0.004 0.000 0.259 6 K C -1.214 175.329 176.600 -0.095 0.000 0.932 6 K CA -0.365 55.735 56.287 -0.312 0.000 0.833 6 K CB 0.803 32.976 32.500 -0.545 0.000 1.340 6 K HN 0.329 nan 8.250 nan 0.000 0.429 7 D N 2.814 123.185 120.400 -0.048 0.000 2.692 7 D HA -0.216 4.426 4.640 0.004 0.000 0.233 7 D C 0.676 176.992 176.300 0.026 0.000 1.172 7 D CA 2.175 56.177 54.000 0.002 0.000 0.636 7 D CB -1.062 39.754 40.800 0.026 0.000 1.028 7 D HN 1.060 nan 8.370 nan 0.000 0.419 8 G N -0.491 108.319 108.800 0.017 0.000 2.199 8 G HA2 -0.353 3.609 3.960 0.004 0.000 0.254 8 G HA3 -0.353 3.609 3.960 0.004 0.000 0.254 8 G C 0.162 175.098 174.900 0.061 0.000 0.982 8 G CA 0.323 45.443 45.100 0.034 0.000 0.632 8 G HN 0.670 nan 8.290 nan 0.000 0.529 9 N N 0.391 119.144 118.700 0.089 0.000 2.284 9 N HA 0.632 5.374 4.740 0.004 0.000 0.300 9 N C -0.407 175.202 175.510 0.166 0.000 1.047 9 N CA -0.513 52.623 53.050 0.142 0.000 0.821 9 N CB 1.015 39.615 38.487 0.188 0.000 1.337 9 N HN 0.574 nan 8.380 nan 0.000 0.482 10 K N 1.494 121.993 120.400 0.165 0.000 2.385 10 K HA 0.722 5.045 4.320 0.004 0.000 0.248 10 K C -1.703 175.027 176.600 0.215 0.000 0.955 10 K CA -1.024 55.371 56.287 0.180 0.000 0.816 10 K CB 2.078 34.635 32.500 0.096 0.000 1.250 10 K HN 0.336 nan 8.250 nan 0.000 0.434 11 L N 1.666 123.034 121.223 0.242 0.000 2.441 11 L HA 0.337 4.680 4.340 0.004 0.000 0.270 11 L C -1.856 175.149 176.870 0.226 0.000 0.973 11 L CA -0.194 54.776 54.840 0.217 0.000 0.842 11 L CB 1.875 44.021 42.059 0.145 0.000 1.239 11 L HN 0.828 nan 8.230 nan 0.000 0.406 12 D N 4.426 124.978 120.400 0.253 0.000 2.359 12 D HA 0.301 4.943 4.640 0.004 0.000 0.230 12 D C -1.126 175.407 176.300 0.389 0.000 1.118 12 D CA -0.139 54.025 54.000 0.273 0.000 0.844 12 D CB 1.089 42.017 40.800 0.212 0.000 1.059 12 D HN 0.472 nan 8.370 nan 0.000 0.493 13 L N 6.382 127.819 121.223 0.357 0.000 2.264 13 L HA 0.422 4.765 4.340 0.004 0.000 0.289 13 L C -1.288 175.830 176.870 0.414 0.000 1.044 13 L CA -0.445 54.621 54.840 0.377 0.000 0.807 13 L CB 0.202 42.459 42.059 0.330 0.000 1.192 13 L HN 0.375 nan 8.230 nan 0.000 0.425 14 Y N 3.081 123.434 120.300 0.087 0.000 2.634 14 Y HA 1.027 5.579 4.550 0.004 0.000 0.340 14 Y C -0.057 175.482 175.900 -0.603 0.000 1.058 14 Y CA -0.772 57.136 58.100 -0.321 0.000 1.081 14 Y CB 1.449 39.780 38.460 -0.215 0.000 1.295 14 Y HN 0.776 nan 8.280 nan 0.000 0.487 15 G N 0.696 108.897 108.800 -0.998 0.000 2.322 15 G HA2 0.518 4.480 3.960 0.004 0.000 0.295 15 G HA3 0.518 4.480 3.960 0.004 0.000 0.295 15 G C -2.261 172.307 174.900 -0.552 0.000 1.369 15 G CA -0.883 43.794 45.100 -0.705 0.000 0.821 15 G HN 1.099 nan 8.290 nan 0.000 0.536 16 K N -1.873 118.415 120.400 -0.187 0.000 2.575 16 K HA 0.731 5.054 4.320 0.004 0.000 0.279 16 K C -1.763 174.837 176.600 0.000 0.000 0.969 16 K CA -1.037 55.218 56.287 -0.054 0.000 0.868 16 K CB 2.084 34.535 32.500 -0.082 0.000 1.457 16 K HN 0.622 nan 8.250 nan 0.000 0.426 17 V N 1.441 121.386 119.914 0.053 0.000 2.378 17 V HA 0.274 4.396 4.120 0.004 0.000 0.288 17 V C -1.142 174.880 176.094 -0.121 0.000 1.016 17 V CA -0.509 61.770 62.300 -0.036 0.000 0.840 17 V CB 1.376 33.236 31.823 0.063 0.000 0.994 17 V HN 0.821 nan 8.190 nan 0.000 0.431 18 D N 4.235 124.421 120.400 -0.357 0.000 2.454 18 D HA 0.347 4.989 4.640 0.004 0.000 0.225 18 D C 0.510 176.673 176.300 -0.227 0.000 1.081 18 D CA -0.145 53.658 54.000 -0.328 0.000 0.864 18 D CB 1.691 42.137 40.800 -0.591 0.000 1.040 18 D HN 0.671 nan 8.370 nan 0.000 0.517 19 G N 3.334 112.070 108.800 -0.107 0.000 2.389 19 G HA2 0.400 4.362 3.960 0.004 0.000 0.287 19 G HA3 0.400 4.362 3.960 0.004 0.000 0.287 19 G C -0.567 174.307 174.900 -0.044 0.000 1.126 19 G CA -0.117 44.948 45.100 -0.058 0.000 1.073 19 G HN 0.411 nan 8.290 nan 0.000 0.429 20 L N 2.425 123.650 121.223 0.003 0.000 2.431 20 L HA 0.709 5.052 4.340 0.004 0.000 0.266 20 L C -1.091 175.841 176.870 0.103 0.000 0.978 20 L CA -1.195 53.683 54.840 0.063 0.000 0.822 20 L CB 2.339 44.477 42.059 0.132 0.000 1.310 20 L HN 0.633 nan 8.230 nan 0.000 0.409 21 H N 2.848 121.945 119.070 0.046 0.000 2.771 21 H HA 0.611 5.169 4.556 0.003 0.000 0.361 21 H C -1.721 173.649 175.328 0.069 0.000 1.108 21 H CA -0.344 55.673 56.048 -0.052 0.000 1.201 21 H CB 1.280 30.921 29.762 -0.202 0.000 1.681 21 H HN 0.492 nan 8.280 nan 0.000 0.534 22 Y N 4.057 124.042 120.300 -0.525 0.000 2.360 22 Y HA 0.334 4.886 4.550 0.003 0.000 0.337 22 Y C -0.895 174.765 175.900 -0.400 0.000 1.039 22 Y CA -1.072 56.884 58.100 -0.239 0.000 1.109 22 Y CB 0.732 39.117 38.460 -0.125 0.000 1.201 22 Y HN 0.505 nan 8.280 nan 0.000 0.458 23 F N 1.723 121.805 119.950 0.220 0.000 2.427 23 F HA 0.559 5.087 4.527 0.003 0.000 0.348 23 F C 0.195 176.047 175.800 0.087 0.000 1.125 23 F CA -0.464 57.631 58.000 0.158 0.000 0.989 23 F CB 1.880 40.952 39.000 0.121 0.000 1.165 23 F HN 0.302 nan 8.300 nan 0.000 0.442 24 S N 1.569 117.397 115.700 0.212 0.000 2.537 24 S HA 0.277 4.749 4.470 0.004 0.000 0.270 24 S C 0.055 174.713 174.600 0.096 0.000 1.142 24 S CA -0.741 57.535 58.200 0.128 0.000 0.870 24 S CB 1.308 64.562 63.200 0.090 0.000 1.112 24 S HN 0.578 nan 8.310 nan 0.000 0.466 25 D N 1.636 122.078 120.400 0.070 0.000 2.219 25 D HA -0.034 4.608 4.640 0.004 0.000 0.205 25 D C 0.475 176.795 176.300 0.035 0.000 0.970 25 D CA 0.852 54.883 54.000 0.051 0.000 0.851 25 D CB -0.200 40.625 40.800 0.041 0.000 0.943 25 D HN 0.495 nan 8.370 nan 0.000 0.488 26 N N 1.893 120.609 118.700 0.026 0.000 2.416 26 N HA -0.064 4.678 4.740 0.004 0.000 0.265 26 N C 0.357 175.878 175.510 0.018 0.000 1.195 26 N CA 0.060 53.117 53.050 0.012 0.000 0.943 26 N CB 0.830 39.315 38.487 -0.002 0.000 1.115 26 N HN -0.156 nan 8.380 nan 0.000 0.481 27 D N 1.209 121.615 120.400 0.010 0.000 2.182 27 D HA -0.173 4.470 4.640 0.004 0.000 0.201 27 D C 1.508 177.803 176.300 -0.008 0.000 0.986 27 D CA 1.353 55.356 54.000 0.005 0.000 0.847 27 D CB -0.076 40.724 40.800 0.001 0.000 0.942 27 D HN 0.699 nan 8.370 nan 0.000 0.467 28 S N -0.386 115.306 115.700 -0.013 0.000 2.515 28 S HA -0.031 4.442 4.470 0.004 0.000 0.231 28 S C 1.335 175.926 174.600 -0.014 0.000 0.987 28 S CA 0.521 58.706 58.200 -0.025 0.000 0.936 28 S CB 0.130 63.310 63.200 -0.034 0.000 0.766 28 S HN 0.008 nan 8.310 nan 0.000 0.528 29 K N 1.489 121.902 120.400 0.021 0.000 2.537 29 K HA 0.315 4.638 4.320 0.004 0.000 0.206 29 K C -0.609 176.065 176.600 0.124 0.000 1.041 29 K CA -0.019 56.327 56.287 0.098 0.000 1.090 29 K CB 0.218 32.789 32.500 0.118 0.000 0.833 29 K HN 0.484 nan 8.250 nan 0.000 0.493 30 D N 0.242 120.654 120.400 0.020 0.000 2.502 30 D HA 0.486 5.128 4.640 0.004 0.000 0.249 30 D C -0.017 176.187 176.300 -0.159 0.000 1.092 30 D CA -0.004 53.980 54.000 -0.026 0.000 0.839 30 D CB 1.810 42.622 40.800 0.020 0.000 1.264 30 D HN 0.250 nan 8.370 nan 0.000 0.511 31 G N 3.226 111.783 108.800 -0.407 0.000 2.316 31 G HA2 -0.069 3.894 3.960 0.004 0.000 0.349 31 G HA3 -0.069 3.894 3.960 0.004 0.000 0.349 31 G C -0.960 173.434 174.900 -0.844 0.000 1.274 31 G CA -0.726 44.020 45.100 -0.589 0.000 1.018 31 G HN 0.544 nan 8.290 nan 0.000 0.486 32 D N 0.192 120.316 120.400 -0.460 0.000 2.450 32 D HA 0.426 5.069 4.640 0.004 0.000 0.247 32 D C 0.834 176.983 176.300 -0.253 0.000 1.162 32 D CA 0.285 54.135 54.000 -0.250 0.000 0.879 32 D CB 0.692 41.457 40.800 -0.057 0.000 1.163 32 D HN 0.355 nan 8.370 nan 0.000 0.472 33 K N 2.457 122.721 120.400 -0.226 0.000 2.506 33 K HA 0.119 4.441 4.320 0.004 0.000 0.204 33 K C -0.229 176.374 176.600 0.004 0.000 1.045 33 K CA -0.291 55.865 56.287 -0.219 0.000 1.074 33 K CB 0.418 32.598 32.500 -0.534 0.000 0.842 33 K HN 0.427 nan 8.250 nan 0.000 0.514 34 T N 2.439 116.998 114.554 0.008 0.000 2.933 34 T HA 0.015 4.368 4.350 0.004 0.000 0.306 34 T C -0.085 174.676 174.700 0.103 0.000 1.045 34 T CA 0.861 62.976 62.100 0.025 0.000 1.143 34 T CB -0.160 68.703 68.868 -0.008 0.000 1.003 34 T HN 0.290 nan 8.240 nan 0.000 0.540 35 Y N 0.735 121.011 120.300 -0.039 0.000 2.689 35 Y HA 0.687 5.239 4.550 0.004 0.000 0.333 35 Y C -1.129 174.740 175.900 -0.052 0.000 1.208 35 Y CA -1.946 56.113 58.100 -0.068 0.000 1.055 35 Y CB 1.195 39.602 38.460 -0.088 0.000 1.304 35 Y HN 0.627 nan 8.280 nan 0.000 0.455 36 M N 0.917 120.538 119.600 0.035 0.000 2.619 36 M HA 0.769 5.251 4.480 0.004 0.000 0.297 36 M C -1.822 174.504 176.300 0.044 0.000 1.229 36 M CA -0.830 54.446 55.300 -0.040 0.000 0.860 36 M CB 2.811 35.399 32.600 -0.020 0.000 1.741 36 M HN 0.692 nan 8.290 nan 0.000 0.462 37 R N 0.945 121.440 120.500 -0.009 0.000 2.750 37 R HA 0.893 5.236 4.340 0.004 0.000 0.281 37 R C -1.930 174.273 176.300 -0.162 0.000 0.972 37 R CA -0.981 55.066 56.100 -0.089 0.000 0.912 37 R CB 2.335 32.617 30.300 -0.031 0.000 1.187 37 R HN 0.785 nan 8.270 nan 0.000 0.464 38 L N 0.504 121.568 121.223 -0.265 0.000 2.422 38 L HA 0.816 5.159 4.340 0.004 0.000 0.264 38 L C -0.914 175.564 176.870 -0.653 0.000 0.984 38 L CA -0.013 54.638 54.840 -0.315 0.000 0.819 38 L CB 2.430 44.454 42.059 -0.059 0.000 1.330 38 L HN 0.770 nan 8.230 nan 0.000 0.410 39 G N 2.362 110.658 108.800 -0.839 0.000 2.623 39 G HA2 0.616 4.579 3.960 0.004 0.000 0.290 39 G HA3 0.616 4.579 3.960 0.004 0.000 0.290 39 G C -2.017 172.572 174.900 -0.519 0.000 1.437 39 G CA -0.457 44.059 45.100 -0.974 0.000 0.798 39 G HN 0.686 nan 8.290 nan 0.000 0.488 40 F N -1.046 118.911 119.950 0.013 0.000 2.565 40 F HA 0.852 5.381 4.527 0.004 0.000 0.313 40 F C -0.661 175.335 175.800 0.326 0.000 1.091 40 F CA -1.605 56.530 58.000 0.225 0.000 0.915 40 F CB 2.255 41.375 39.000 0.200 0.000 1.208 40 F HN 0.313 nan 8.300 nan 0.000 0.453 41 K N 2.248 122.982 120.400 0.556 0.000 2.425 41 K HA 0.610 4.932 4.320 0.004 0.000 0.259 41 K C -0.396 176.425 176.600 0.367 0.000 0.978 41 K CA -0.744 55.761 56.287 0.364 0.000 0.883 41 K CB 1.772 34.394 32.500 0.203 0.000 1.110 41 K HN 1.063 nan 8.250 nan 0.000 0.436 42 G N 2.142 111.175 108.800 0.388 0.000 2.400 42 G HA2 0.413 4.375 3.960 0.004 0.000 0.333 42 G HA3 0.413 4.375 3.960 0.004 0.000 0.333 42 G C -1.258 173.795 174.900 0.255 0.000 1.143 42 G CA -0.256 45.014 45.100 0.284 0.000 0.914 42 G HN 0.593 nan 8.290 nan 0.000 0.480 43 E N 0.025 120.348 120.200 0.204 0.000 2.311 43 E HA 0.484 4.836 4.350 0.004 0.000 0.281 43 E C -1.619 175.073 176.600 0.154 0.000 0.905 43 E CA -0.655 55.864 56.400 0.200 0.000 0.778 43 E CB 2.230 32.025 29.700 0.158 0.000 1.240 43 E HN 0.438 nan 8.360 nan 0.000 0.410 44 T N 3.221 117.864 114.554 0.148 0.000 2.848 44 T HA 0.234 4.587 4.350 0.004 0.000 0.285 44 T C -1.031 173.725 174.700 0.093 0.000 0.995 44 T CA -0.643 61.523 62.100 0.110 0.000 0.970 44 T CB 1.345 70.272 68.868 0.098 0.000 0.976 44 T HN 0.385 nan 8.240 nan 0.000 0.441 45 Q N 4.451 124.291 119.800 0.067 0.000 2.344 45 Q HA 0.201 4.543 4.340 0.004 0.000 0.253 45 Q C 1.167 177.192 176.000 0.041 0.000 1.050 45 Q CA -0.068 55.762 55.803 0.045 0.000 0.912 45 Q CB 1.440 30.194 28.738 0.026 0.000 1.258 45 Q HN 0.622 nan 8.270 nan 0.000 0.443 46 V N 2.220 122.160 119.914 0.043 0.000 2.302 46 V HA -0.095 4.027 4.120 0.004 0.000 0.243 46 V C 1.316 177.427 176.094 0.028 0.000 1.036 46 V CA 2.106 64.432 62.300 0.043 0.000 1.020 46 V CB -0.159 31.700 31.823 0.060 0.000 0.657 46 V HN 0.822 nan 8.190 nan 0.000 0.453 47 T N -3.540 111.018 114.554 0.006 0.000 2.693 47 T HA 0.252 4.604 4.350 0.004 0.000 0.278 47 T C 0.489 175.161 174.700 -0.046 0.000 0.994 47 T CA -0.093 62.001 62.100 -0.011 0.000 1.033 47 T CB 1.248 70.114 68.868 -0.002 0.000 1.342 47 T HN 0.137 nan 8.240 nan 0.000 0.538 48 D N 0.346 120.714 120.400 -0.053 0.000 2.149 48 D HA -0.113 4.529 4.640 0.004 0.000 0.198 48 D C 1.644 177.864 176.300 -0.133 0.000 0.990 48 D CA 1.512 55.472 54.000 -0.067 0.000 0.839 48 D CB -0.044 40.730 40.800 -0.045 0.000 0.948 48 D HN 0.703 nan 8.370 nan 0.000 0.460 49 Q N -0.883 118.763 119.800 -0.255 0.000 2.214 49 Q HA 0.228 4.571 4.340 0.004 0.000 0.229 49 Q C -0.070 175.541 176.000 -0.649 0.000 0.835 49 Q CA -0.292 55.215 55.803 -0.493 0.000 0.953 49 Q CB 1.330 29.616 28.738 -0.753 0.000 1.131 49 Q HN 0.071 nan 8.270 nan 0.000 0.501 50 L N 1.988 122.980 121.223 -0.384 0.000 2.305 50 L HA 0.470 4.813 4.340 0.004 0.000 0.284 50 L C -0.684 176.179 176.870 -0.012 0.000 1.013 50 L CA -0.046 54.695 54.840 -0.165 0.000 0.819 50 L CB 1.772 43.839 42.059 0.013 0.000 1.227 50 L HN 0.038 nan 8.230 nan 0.000 0.417 51 T N 1.377 115.971 114.554 0.066 0.000 2.861 51 T HA 0.842 5.194 4.350 0.004 0.000 0.287 51 T C -0.026 174.799 174.700 0.208 0.000 1.003 51 T CA -0.399 61.775 62.100 0.123 0.000 0.977 51 T CB 1.547 70.488 68.868 0.121 0.000 0.996 51 T HN 0.830 nan 8.240 nan 0.000 0.448 52 G N 1.755 110.660 108.800 0.175 0.000 2.389 52 G HA2 0.667 4.630 3.960 0.004 0.000 0.317 52 G HA3 0.667 4.630 3.960 0.004 0.000 0.317 52 G C -1.287 173.753 174.900 0.233 0.000 1.137 52 G CA -1.021 44.163 45.100 0.139 0.000 0.870 52 G HN 1.006 nan 8.290 nan 0.000 0.496 53 Y N -1.220 119.162 120.300 0.138 0.000 2.597 53 Y HA 0.803 5.356 4.550 0.004 0.000 0.340 53 Y C -0.118 175.878 175.900 0.160 0.000 1.097 53 Y CA -1.502 56.686 58.100 0.148 0.000 1.037 53 Y CB 1.425 39.980 38.460 0.157 0.000 1.305 53 Y HN 0.878 nan 8.280 nan 0.000 0.463 54 G N 1.105 110.095 108.800 0.316 0.000 2.719 54 G HA2 0.534 4.497 3.960 0.004 0.000 0.298 54 G HA3 0.534 4.497 3.960 0.004 0.000 0.298 54 G C -2.426 172.534 174.900 0.099 0.000 1.411 54 G CA -0.911 44.295 45.100 0.177 0.000 0.991 54 G HN 0.839 nan 8.290 nan 0.000 0.509 55 Q N 0.130 119.726 119.800 -0.340 0.000 2.379 55 Q HA 0.634 4.976 4.340 0.004 0.000 0.278 55 Q C -2.205 173.442 176.000 -0.589 0.000 1.068 55 Q CA -1.009 54.488 55.803 -0.510 0.000 0.816 55 Q CB 2.931 31.279 28.738 -0.650 0.000 1.387 55 Q HN 0.643 nan 8.270 nan 0.000 0.413 56 W N 3.031 123.841 121.300 -0.818 0.000 3.439 56 W HA 0.502 5.165 4.660 0.004 0.000 0.323 56 W C -1.980 174.255 176.519 -0.473 0.000 1.174 56 W CA -0.210 56.717 57.345 -0.696 0.000 1.224 56 W CB 1.454 30.305 29.460 -1.016 0.000 1.348 56 W HN 0.686 nan 8.180 nan 0.000 0.498 57 E N 4.459 124.084 120.200 -0.958 0.000 2.331 57 E HA 0.413 4.766 4.350 0.004 0.000 0.275 57 E C -2.335 173.745 176.600 -0.867 0.000 0.895 57 E CA -0.876 55.006 56.400 -0.863 0.000 0.753 57 E CB 2.335 31.867 29.700 -0.280 0.000 1.216 57 E HN 0.426 nan 8.360 nan 0.000 0.434 58 Y N 2.032 121.730 120.300 -1.003 0.000 2.433 58 Y HA 0.257 4.809 4.550 0.004 0.000 0.337 58 Y C -1.216 174.344 175.900 -0.566 0.000 1.026 58 Y CA -0.580 57.059 58.100 -0.769 0.000 1.037 58 Y CB 2.060 39.999 38.460 -0.869 0.000 1.245 58 Y HN 0.526 nan 8.280 nan 0.000 0.443 59 Q N 5.740 124.970 119.800 -0.949 0.000 2.293 59 Q HA 0.681 5.024 4.340 0.004 0.000 0.261 59 Q C -1.573 173.779 176.000 -1.080 0.000 0.960 59 Q CA -0.567 54.667 55.803 -0.948 0.000 0.882 59 Q CB 1.043 29.078 28.738 -1.171 0.000 1.275 59 Q HN 0.720 nan 8.270 nan 0.000 0.445 60 I N 3.863 124.099 120.570 -0.558 0.000 2.410 60 I HA 0.238 4.411 4.170 0.004 0.000 0.286 60 I C -0.302 175.681 176.117 -0.222 0.000 1.009 60 I CA -1.035 60.039 61.300 -0.376 0.000 1.111 60 I CB 1.718 39.641 38.000 -0.129 0.000 1.262 60 I HN 0.488 nan 8.210 nan 0.000 0.443 61 Q N 3.874 123.547 119.800 -0.213 0.000 2.352 61 Q HA 0.217 4.559 4.340 0.004 0.000 0.260 61 Q C 0.845 176.838 176.000 -0.011 0.000 0.976 61 Q CA 0.084 55.852 55.803 -0.057 0.000 0.881 61 Q CB 1.583 30.314 28.738 -0.012 0.000 1.235 61 Q HN 0.931 nan 8.270 nan 0.000 0.419 62 G N 1.569 110.384 108.800 0.024 0.000 3.651 62 G HA2 -0.038 3.924 3.960 0.004 0.000 0.279 62 G HA3 -0.038 3.924 3.960 0.004 0.000 0.279 62 G C 0.385 175.286 174.900 0.003 0.000 1.024 62 G CA -0.283 44.822 45.100 0.008 0.000 0.813 62 G HN 0.597 nan 8.290 nan 0.000 0.518 63 N N -0.005 118.695 118.700 0.001 0.000 2.204 63 N HA 0.120 4.863 4.740 0.004 0.000 0.219 63 N C -0.118 175.382 175.510 -0.017 0.000 1.151 63 N CA -0.259 52.781 53.050 -0.017 0.000 0.867 63 N CB 0.622 39.083 38.487 -0.042 0.000 1.043 63 N HN 0.319 nan 8.380 nan 0.000 0.516 64 E N 0.931 121.126 120.200 -0.007 0.000 2.263 64 E HA 0.475 4.827 4.350 0.004 0.000 0.264 64 E C -2.297 174.303 176.600 -0.001 0.000 0.923 64 E CA -1.875 54.523 56.400 -0.004 0.000 0.802 64 E CB 1.579 31.281 29.700 0.004 0.000 1.228 64 E HN 0.159 nan 8.360 nan 0.000 0.417 65 P HA 0.130 nan 4.420 nan 0.000 0.277 65 P C -0.333 176.971 177.300 0.005 0.000 1.271 65 P CA -0.198 62.903 63.100 0.002 0.000 0.795 65 P CB 0.783 32.483 31.700 0.000 0.000 1.101 66 E N -0.489 119.714 120.200 0.006 0.000 2.482 66 E HA -0.077 4.275 4.350 0.004 0.000 0.196 66 E C 1.593 178.200 176.600 0.011 0.000 1.047 66 E CA 0.746 57.151 56.400 0.009 0.000 0.869 66 E CB -0.091 29.614 29.700 0.007 0.000 0.836 66 E HN 0.470 nan 8.360 nan 0.000 0.520 67 S N 0.362 116.068 115.700 0.009 0.000 2.522 67 S HA -0.086 4.387 4.470 0.004 0.000 0.227 67 S C 0.586 175.194 174.600 0.013 0.000 0.986 67 S CA 0.518 58.724 58.200 0.010 0.000 0.929 67 S CB 0.296 63.500 63.200 0.007 0.000 0.769 67 S HN 0.084 nan 8.310 nan 0.000 0.529 68 D N 0.464 120.873 120.400 0.015 0.000 2.826 68 D HA 0.207 4.849 4.640 0.004 0.000 0.239 68 D C -1.479 174.834 176.300 0.022 0.000 1.329 68 D CA -0.189 53.822 54.000 0.018 0.000 0.854 68 D CB -0.140 40.668 40.800 0.013 0.000 1.494 68 D HN 0.351 nan 8.370 nan 0.000 0.540 69 N N 1.260 119.976 118.700 0.028 0.000 2.419 69 N HA 0.435 5.178 4.740 0.004 0.000 0.277 69 N C -0.802 174.733 175.510 0.042 0.000 1.006 69 N CA -0.391 52.676 53.050 0.028 0.000 0.923 69 N CB 0.826 39.327 38.487 0.023 0.000 1.140 69 N HN 0.042 nan 8.380 nan 0.000 0.488 70 S N 1.218 116.948 115.700 0.051 0.000 2.489 70 S HA 0.517 4.990 4.470 0.004 0.000 0.291 70 S C -0.711 173.910 174.600 0.036 0.000 1.151 70 S CA -0.705 57.559 58.200 0.105 0.000 1.082 70 S CB 1.348 64.658 63.200 0.183 0.000 1.019 70 S HN 0.700 nan 8.310 nan 0.000 0.492 71 S N 1.287 117.013 115.700 0.044 0.000 2.596 71 S HA 0.879 5.351 4.470 0.004 0.000 0.270 71 S C -1.649 172.873 174.600 -0.132 0.000 1.155 71 S CA -1.201 56.803 58.200 -0.326 0.000 0.827 71 S CB 1.176 64.167 63.200 -0.347 0.000 1.130 71 S HN 0.954 nan 8.310 nan 0.000 0.467 72 W N -1.083 119.836 121.300 -0.636 0.000 3.153 72 W HA 0.657 5.319 4.660 0.004 0.000 0.316 72 W C -1.601 174.621 176.519 -0.495 0.000 1.255 72 W CA -0.896 56.199 57.345 -0.417 0.000 1.192 72 W CB 0.285 29.614 29.460 -0.217 0.000 1.400 72 W HN 0.563 nan 8.180 nan 0.000 0.568 73 T N 2.877 117.557 114.554 0.209 0.000 2.761 73 T HA 0.231 4.584 4.350 0.004 0.000 0.296 73 T C 1.033 175.833 174.700 0.167 0.000 0.934 73 T CA -0.363 61.892 62.100 0.259 0.000 1.091 73 T CB 1.119 70.223 68.868 0.394 0.000 0.896 73 T HN 0.493 nan 8.240 nan 0.000 0.515 74 R N 1.884 122.398 120.500 0.023 0.000 2.052 74 R HA 0.166 4.508 4.340 0.004 0.000 0.226 74 R C 0.857 177.137 176.300 -0.032 0.000 1.145 74 R CA 0.668 56.777 56.100 0.016 0.000 0.952 74 R CB 0.084 30.367 30.300 -0.027 0.000 0.847 74 R HN 0.605 nan 8.270 nan 0.000 0.431 75 V N -3.757 116.144 119.914 -0.022 0.000 3.007 75 V HA 0.890 5.012 4.120 0.004 0.000 0.311 75 V C -1.451 174.687 176.094 0.073 0.000 1.120 75 V CA -1.211 61.142 62.300 0.088 0.000 0.980 75 V CB 2.031 34.007 31.823 0.255 0.000 1.033 75 V HN 0.113 nan 8.190 nan 0.000 0.429 76 A N 3.925 126.846 122.820 0.168 0.000 2.579 76 A HA 0.858 5.181 4.320 0.004 0.000 0.288 76 A C -1.145 176.531 177.584 0.154 0.000 1.079 76 A CA -0.343 51.767 52.037 0.121 0.000 0.889 76 A CB 0.618 19.766 19.000 0.247 0.000 1.439 76 A HN 2.167 nan 8.150 nan 0.000 0.399 77 F N -0.093 119.912 119.950 0.092 0.000 2.654 77 F HA 0.930 5.459 4.527 0.004 0.000 0.308 77 F C -0.257 175.586 175.800 0.072 0.000 1.108 77 F CA -0.846 57.186 58.000 0.054 0.000 0.957 77 F CB 1.092 40.109 39.000 0.029 0.000 1.309 77 F HN 0.848 nan 8.300 nan 0.000 0.446 78 A N 0.819 123.793 122.820 0.256 0.000 2.354 78 A HA 1.054 5.376 4.320 0.004 0.000 0.321 78 A C -0.319 177.216 177.584 -0.082 0.000 1.125 78 A CA -0.451 51.632 52.037 0.077 0.000 0.799 78 A CB 1.338 20.377 19.000 0.066 0.000 1.293 78 A HN 2.024 nan 8.150 nan 0.000 0.452 79 G N -0.923 107.577 108.800 -0.501 0.000 2.495 79 G HA2 0.560 4.522 3.960 0.004 0.000 0.294 79 G HA3 0.560 4.522 3.960 0.004 0.000 0.294 79 G C -1.947 172.566 174.900 -0.645 0.000 1.397 79 G CA -0.634 44.074 45.100 -0.654 0.000 0.790 79 G HN 0.805 nan 8.290 nan 0.000 0.486 80 L N 0.001 121.144 121.223 -0.133 0.000 2.401 80 L HA 0.689 5.032 4.340 0.004 0.000 0.266 80 L C -0.436 176.644 176.870 0.349 0.000 0.991 80 L CA -0.863 54.061 54.840 0.140 0.000 0.818 80 L CB 2.709 44.876 42.059 0.181 0.000 1.321 80 L HN 0.493 nan 8.230 nan 0.000 0.413 81 K N 2.402 123.022 120.400 0.366 0.000 2.545 81 K HA 0.469 4.792 4.320 0.004 0.000 0.252 81 K C -1.853 174.894 176.600 0.245 0.000 0.948 81 K CA -0.470 56.008 56.287 0.317 0.000 0.827 81 K CB 1.667 34.332 32.500 0.274 0.000 1.128 81 K HN 0.363 nan 8.250 nan 0.000 0.429 82 F N 3.122 123.148 119.950 0.127 0.000 2.427 82 F HA 0.258 4.787 4.527 0.004 0.000 0.346 82 F C 0.173 176.020 175.800 0.079 0.000 1.120 82 F CA -0.459 57.601 58.000 0.100 0.000 1.033 82 F CB 1.564 40.624 39.000 0.100 0.000 1.126 82 F HN 0.487 nan 8.300 nan 0.000 0.462 83 Q N 4.558 124.314 119.800 -0.074 0.000 2.263 83 Q HA 0.080 4.423 4.340 0.004 0.000 0.289 83 Q C -0.009 176.111 176.000 0.200 0.000 1.061 83 Q CA 0.972 56.790 55.803 0.025 0.000 0.927 83 Q CB 0.057 28.744 28.738 -0.086 0.000 1.154 83 Q HN 0.709 nan 8.270 nan 0.000 0.378 84 D N 1.895 122.387 120.400 0.154 0.000 2.945 84 D HA -0.181 4.462 4.640 0.004 0.000 0.225 84 D C -0.099 176.355 176.300 0.257 0.000 1.158 84 D CA 0.945 55.051 54.000 0.177 0.000 0.805 84 D CB -1.396 39.510 40.800 0.177 0.000 1.098 84 D HN 0.343 nan 8.370 nan 0.000 0.426 85 V N -1.729 118.332 119.914 0.246 0.000 3.442 85 V HA 0.636 4.759 4.120 0.004 0.000 0.205 85 V C 1.278 177.412 176.094 0.066 0.000 1.320 85 V CA 1.040 63.485 62.300 0.240 0.000 1.306 85 V CB 1.117 33.089 31.823 0.248 0.000 1.267 85 V HN 0.543 nan 8.190 nan 0.000 0.538 86 G N 0.305 109.177 108.800 0.119 0.000 2.345 86 G HA2 0.413 4.376 3.960 0.004 0.000 0.285 86 G HA3 0.413 4.376 3.960 0.004 0.000 0.285 86 G C -1.048 173.944 174.900 0.153 0.000 1.297 86 G CA 0.207 45.338 45.100 0.051 0.000 0.875 86 G HN 0.917 nan 8.290 nan 0.000 0.506 87 S N -1.354 114.433 115.700 0.145 0.000 2.599 87 S HA 0.856 5.329 4.470 0.004 0.000 0.294 87 S C -1.374 173.384 174.600 0.264 0.000 1.094 87 S CA -0.693 57.645 58.200 0.230 0.000 0.931 87 S CB 2.403 65.726 63.200 0.206 0.000 1.093 87 S HN 1.807 nan 8.310 nan 0.000 0.488 88 F N 1.825 121.836 119.950 0.102 0.000 2.539 88 F HA 0.641 5.170 4.527 0.004 0.000 0.318 88 F C -1.589 174.202 175.800 -0.014 0.000 1.135 88 F CA -0.566 57.402 58.000 -0.052 0.000 0.915 88 F CB 1.493 40.416 39.000 -0.128 0.000 1.176 88 F HN 0.912 nan 8.300 nan 0.000 0.440 89 D N 3.694 123.589 120.400 -0.841 0.000 2.547 89 D HA 0.456 5.099 4.640 0.004 0.000 0.231 89 D C -1.935 173.892 176.300 -0.788 0.000 1.099 89 D CA -0.625 52.988 54.000 -0.646 0.000 0.901 89 D CB 2.167 42.862 40.800 -0.175 0.000 1.478 89 D HN 0.475 nan 8.370 nan 0.000 0.471 90 Y N 0.098 120.138 120.300 -0.432 0.000 2.504 90 Y HA 0.646 5.199 4.550 0.004 0.000 0.344 90 Y C -0.027 175.905 175.900 0.055 0.000 1.023 90 Y CA 0.287 58.270 58.100 -0.194 0.000 1.020 90 Y CB 1.935 40.351 38.460 -0.073 0.000 1.282 90 Y HN 0.999 nan 8.280 nan 0.000 0.454 91 G N 3.917 112.225 108.800 -0.820 0.000 2.320 91 G HA2 0.037 4.000 3.960 0.004 0.000 0.274 91 G HA3 0.037 4.000 3.960 0.004 0.000 0.274 91 G C -1.725 173.024 174.900 -0.252 0.000 1.324 91 G CA -1.135 43.676 45.100 -0.482 0.000 0.957 91 G HN 0.779 nan 8.290 nan 0.000 0.481 92 R N 0.841 121.319 120.500 -0.037 0.000 2.370 92 R HA 0.494 4.836 4.340 0.004 0.000 0.309 92 R C -0.267 176.150 176.300 0.195 0.000 1.059 92 R CA 0.083 56.210 56.100 0.046 0.000 0.981 92 R CB 0.046 30.379 30.300 0.054 0.000 0.972 92 R HN 0.613 nan 8.270 nan 0.000 0.437 93 N N 2.489 121.317 118.700 0.213 0.000 3.243 93 N HA 0.203 4.946 4.740 0.004 0.000 0.280 93 N C -1.795 173.725 175.510 0.016 0.000 1.545 93 N CA -0.677 52.449 53.050 0.125 0.000 0.854 93 N CB 0.621 39.041 38.487 -0.112 0.000 1.612 93 N HN 0.294 nan 8.380 nan 0.000 0.577 94 Y N 0.311 120.522 120.300 -0.149 0.000 2.299 94 Y HA 0.453 5.005 4.550 0.004 0.000 0.326 94 Y C 1.495 177.009 175.900 -0.644 0.000 1.164 94 Y CA 0.008 57.946 58.100 -0.271 0.000 1.234 94 Y CB 0.751 39.099 38.460 -0.187 0.000 1.219 94 Y HN 0.475 nan 8.280 nan 0.000 0.497 95 G N 0.817 109.260 108.800 -0.594 0.000 2.544 95 G HA2 0.282 4.245 3.960 0.004 0.000 0.242 95 G HA3 0.282 4.245 3.960 0.004 0.000 0.242 95 G C 0.925 175.626 174.900 -0.333 0.000 1.247 95 G CA -0.186 44.437 45.100 -0.794 0.000 0.840 95 G HN 0.800 nan 8.290 nan 0.000 0.578 96 V N 0.722 120.453 119.914 -0.305 0.000 2.913 96 V HA -0.108 4.014 4.120 0.004 0.000 0.260 96 V C 2.453 178.462 176.094 -0.142 0.000 1.098 96 V CA 1.415 63.610 62.300 -0.175 0.000 1.121 96 V CB -0.726 31.015 31.823 -0.136 0.000 0.714 96 V HN 0.404 nan 8.190 nan 0.000 0.487 97 V N -0.172 119.660 119.914 -0.138 0.000 2.392 97 V HA -0.269 3.854 4.120 0.004 0.000 0.249 97 V C 2.408 178.397 176.094 -0.175 0.000 1.059 97 V CA 2.631 64.841 62.300 -0.151 0.000 1.051 97 V CB -1.144 30.593 31.823 -0.143 0.000 0.658 97 V HN 0.684 nan 8.190 nan 0.000 0.455 98 Y N 1.308 121.449 120.300 -0.266 0.000 2.497 98 Y HA -0.147 4.406 4.550 0.004 0.000 0.292 98 Y C 2.104 177.849 175.900 -0.259 0.000 1.137 98 Y CA 1.006 58.952 58.100 -0.256 0.000 1.285 98 Y CB -0.319 38.058 38.460 -0.139 0.000 0.991 98 Y HN 0.353 nan 8.280 nan 0.000 0.556 99 D N -0.876 119.382 120.400 -0.236 0.000 2.228 99 D HA -0.169 4.473 4.640 0.004 0.000 0.203 99 D C 2.041 177.995 176.300 -0.575 0.000 0.988 99 D CA 1.548 55.376 54.000 -0.287 0.000 0.864 99 D CB -0.001 40.693 40.800 -0.175 0.000 0.928 99 D HN 0.323 nan 8.370 nan 0.000 0.469 100 V N -0.073 119.417 119.914 -0.707 0.000 2.908 100 V HA -0.064 4.059 4.120 0.004 0.000 0.240 100 V C 2.440 177.987 176.094 -0.911 0.000 1.117 100 V CA 1.401 63.010 62.300 -1.152 0.000 1.133 100 V CB -0.098 31.271 31.823 -0.756 0.000 0.857 100 V HN 0.255 nan 8.190 nan 0.000 0.478 101 T N -0.664 113.560 114.554 -0.551 0.000 3.035 101 T HA -0.132 4.221 4.350 0.004 0.000 0.268 101 T C 1.967 176.476 174.700 -0.320 0.000 1.109 101 T CA 1.388 63.301 62.100 -0.312 0.000 1.119 101 T CB -0.415 68.335 68.868 -0.198 0.000 0.900 101 T HN 0.551 nan 8.240 nan 0.000 0.503 102 S N 0.156 115.387 115.700 -0.781 0.000 2.419 102 S HA -0.125 4.348 4.470 0.004 0.000 0.233 102 S C 1.628 176.183 174.600 -0.075 0.000 1.016 102 S CA 0.487 58.213 58.200 -0.791 0.000 0.974 102 S CB -1.020 61.457 63.200 -1.206 0.000 0.786 102 S HN 0.657 nan 8.310 nan 0.000 0.492 103 W N 2.989 124.180 121.300 -0.181 0.000 2.350 103 W HA 0.016 4.678 4.660 0.004 0.000 0.289 103 W C 2.651 179.228 176.519 0.096 0.000 1.215 103 W CA 1.426 58.768 57.345 -0.006 0.000 1.236 103 W CB -1.636 27.815 29.460 -0.016 0.000 1.130 103 W HN 0.629 nan 8.180 nan 0.000 0.541 104 T N -3.782 110.920 114.554 0.247 0.000 3.060 104 T HA 0.007 4.360 4.350 0.004 0.000 0.249 104 T C 0.510 175.295 174.700 0.142 0.000 1.079 104 T CA 0.223 62.432 62.100 0.182 0.000 1.013 104 T CB -0.010 68.911 68.868 0.088 0.000 0.975 104 T HN -0.194 nan 8.240 nan 0.000 0.518 105 D N 2.589 123.072 120.400 0.139 0.000 2.713 105 D HA 0.201 4.843 4.640 0.004 0.000 0.229 105 D C 0.848 177.202 176.300 0.089 0.000 1.136 105 D CA -0.303 53.789 54.000 0.153 0.000 1.010 105 D CB -0.015 40.952 40.800 0.278 0.000 1.084 105 D HN 0.369 nan 8.370 nan 0.000 0.495 106 V N -0.306 119.634 119.914 0.042 0.000 3.261 106 V HA 0.330 4.453 4.120 0.004 0.000 0.330 106 V C 0.409 176.475 176.094 -0.046 0.000 1.461 106 V CA -0.583 61.686 62.300 -0.051 0.000 1.127 106 V CB -0.729 30.975 31.823 -0.198 0.000 1.044 106 V HN 0.070 nan 8.190 nan 0.000 0.499 107 L N 0.858 122.083 121.223 0.003 0.000 2.453 107 L HA 0.368 4.710 4.340 0.004 0.000 0.261 107 L C -0.835 175.968 176.870 -0.113 0.000 1.179 107 L CA -1.307 53.532 54.840 -0.002 0.000 0.813 107 L CB 0.557 42.667 42.059 0.085 0.000 1.110 107 L HN 0.053 nan 8.230 nan 0.000 0.466 108 P HA -0.175 nan 4.420 nan 0.000 0.215 108 P C 0.813 177.694 177.300 -0.698 0.000 1.153 108 P CA 1.183 63.980 63.100 -0.505 0.000 0.853 108 P CB 0.407 31.849 31.700 -0.431 0.000 0.788 109 E N -2.887 117.034 120.200 -0.465 0.000 2.717 109 E HA 0.156 4.508 4.350 0.004 0.000 0.204 109 E C 0.700 177.055 176.600 -0.410 0.000 0.911 109 E CA 0.154 56.261 56.400 -0.488 0.000 1.370 109 E CB -0.348 28.947 29.700 -0.675 0.000 1.315 109 E HN -0.081 nan 8.360 nan 0.000 0.643 110 F N 0.730 120.683 119.950 0.005 0.000 2.192 110 F HA 0.651 5.180 4.527 0.004 0.000 0.269 110 F C 1.497 177.340 175.800 0.072 0.000 0.946 110 F CA 0.341 58.350 58.000 0.015 0.000 1.139 110 F CB -0.422 38.541 39.000 -0.061 0.000 1.877 110 F HN 0.194 nan 8.300 nan 0.000 0.571 111 G N -1.097 107.937 108.800 0.390 0.000 2.796 111 G HA2 0.372 4.334 3.960 0.004 0.000 0.571 111 G HA3 0.372 4.334 3.960 0.004 0.000 0.571 111 G C 0.464 175.436 174.900 0.120 0.000 1.370 111 G CA -0.245 45.002 45.100 0.244 0.000 0.856 111 G HN 1.888 nan 8.290 nan 0.000 0.538 112 G N -0.704 108.121 108.800 0.041 0.000 2.249 112 G HA2 0.056 4.018 3.960 0.004 0.000 0.273 112 G HA3 0.056 4.018 3.960 0.004 0.000 0.273 112 G C 0.518 175.133 174.900 -0.474 0.000 1.036 112 G CA 1.422 46.482 45.100 -0.066 0.000 0.824 112 G HN 2.329 nan 8.290 nan 0.000 0.504 113 D N -0.948 119.229 120.400 -0.372 0.000 2.740 113 D HA 0.103 4.746 4.640 0.004 0.000 0.301 113 D C 1.325 177.460 176.300 -0.276 0.000 1.408 113 D CA 0.496 54.286 54.000 -0.349 0.000 0.808 113 D CB -0.679 40.068 40.800 -0.089 0.000 1.128 113 D HN 0.430 nan 8.370 nan 0.000 0.465 114 T N -1.710 112.637 114.554 -0.345 0.000 3.272 114 T HA 0.259 4.611 4.350 0.004 0.000 0.250 114 T C 0.135 174.865 174.700 0.051 0.000 1.082 114 T CA -0.029 62.015 62.100 -0.093 0.000 0.968 114 T CB -1.013 67.870 68.868 0.024 0.000 1.015 114 T HN 0.361 nan 8.240 nan 0.000 0.563 115 Y N -2.556 117.784 120.300 0.068 0.000 2.741 115 Y HA 0.708 5.261 4.550 0.005 0.000 0.339 115 Y C -1.523 174.413 175.900 0.059 0.000 1.226 115 Y CA -1.894 56.255 58.100 0.083 0.000 1.072 115 Y CB 0.480 39.001 38.460 0.102 0.000 1.331 115 Y HN -0.064 nan 8.280 nan 0.000 0.453 116 D N -0.010 120.555 120.400 0.275 0.000 2.585 116 D HA 0.473 5.116 4.640 0.004 0.000 0.254 116 D C -0.937 175.450 176.300 0.145 0.000 1.067 116 D CA -0.763 53.310 54.000 0.121 0.000 1.090 116 D CB 2.167 42.983 40.800 0.027 0.000 1.408 116 D HN 0.533 nan 8.370 nan 0.000 0.554 117 S N 0.203 115.916 115.700 0.023 0.000 2.592 117 S HA 0.078 4.550 4.470 0.004 0.000 0.271 117 S C -0.016 174.564 174.600 -0.034 0.000 1.326 117 S CA -0.339 57.842 58.200 -0.031 0.000 1.024 117 S CB 0.292 63.423 63.200 -0.116 0.000 0.921 117 S HN 0.424 nan 8.310 nan 0.000 0.527 118 D N 1.222 121.598 120.400 -0.039 0.000 2.701 118 D HA -0.204 4.438 4.640 0.004 0.000 0.235 118 D C -0.273 175.990 176.300 -0.061 0.000 1.155 118 D CA 0.651 54.615 54.000 -0.060 0.000 0.649 118 D CB -1.268 39.480 40.800 -0.086 0.000 1.050 118 D HN 0.672 nan 8.370 nan 0.000 0.425 119 N N 0.326 119.031 118.700 0.008 0.000 2.904 119 N HA 0.258 5.001 4.740 0.004 0.000 0.257 119 N C 0.390 175.994 175.510 0.156 0.000 1.363 119 N CA -0.479 52.600 53.050 0.049 0.000 0.856 119 N CB 0.455 39.058 38.487 0.193 0.000 1.166 119 N HN -0.078 nan 8.380 nan 0.000 0.499 120 F N 0.130 120.155 119.950 0.124 0.000 1.692 120 F HA -0.404 4.126 4.527 0.004 0.000 0.191 120 F C 1.265 177.171 175.800 0.178 0.000 0.146 120 F CA 1.071 59.131 58.000 0.101 0.000 0.579 120 F CB -0.485 38.553 39.000 0.064 0.000 2.449 120 F HN 0.355 nan 8.300 nan 0.000 0.549 121 M N 0.576 120.414 119.600 0.397 0.000 2.723 121 M HA 0.120 4.603 4.480 0.004 0.000 0.270 121 M C 0.873 177.241 176.300 0.112 0.000 1.282 121 M CA 0.372 55.872 55.300 0.332 0.000 0.995 121 M CB -0.023 32.728 32.600 0.252 0.000 1.430 121 M HN 0.430 nan 8.290 nan 0.000 0.477 122 Q N -0.275 119.597 119.800 0.120 0.000 2.297 122 Q HA 0.134 4.477 4.340 0.004 0.000 0.203 122 Q C 1.211 177.132 176.000 -0.131 0.000 0.931 122 Q CA 0.690 56.472 55.803 -0.036 0.000 0.885 122 Q CB 0.830 29.582 28.738 0.023 0.000 0.991 122 Q HN 0.553 nan 8.270 nan 0.000 0.498 123 Q N -0.382 119.407 119.800 -0.017 0.000 3.080 123 Q HA 0.320 4.662 4.340 0.004 0.000 0.380 123 Q C -0.858 175.091 176.000 -0.085 0.000 0.757 123 Q CA -0.734 55.019 55.803 -0.084 0.000 0.878 123 Q CB 1.346 30.094 28.738 0.016 0.000 1.438 123 Q HN 0.013 nan 8.270 nan 0.000 0.419 124 R N -0.399 119.935 120.500 -0.277 0.000 2.638 124 R HA 0.340 4.682 4.340 0.004 0.000 0.268 124 R C -0.001 176.305 176.300 0.011 0.000 1.006 124 R CA 0.977 56.895 56.100 -0.302 0.000 1.088 124 R CB 0.153 30.179 30.300 -0.457 0.000 0.950 124 R HN 0.624 nan 8.270 nan 0.000 0.419 125 G N 1.465 110.364 108.800 0.165 0.000 2.576 125 G HA2 0.148 4.111 3.960 0.004 0.000 0.290 125 G HA3 0.148 4.111 3.960 0.004 0.000 0.290 125 G C -1.477 173.293 174.900 -0.217 0.000 1.442 125 G CA -0.990 44.101 45.100 -0.015 0.000 0.792 125 G HN 0.603 nan 8.290 nan 0.000 0.491 126 N N -0.430 118.080 118.700 -0.316 0.000 2.530 126 N HA 0.442 5.184 4.740 0.004 0.000 0.277 126 N C 0.982 176.205 175.510 -0.479 0.000 1.168 126 N CA 0.761 53.634 53.050 -0.295 0.000 0.979 126 N CB 1.160 39.545 38.487 -0.169 0.000 1.141 126 N HN 1.500 nan 8.380 nan 0.000 0.459 127 G N 0.880 109.446 108.800 -0.390 0.000 2.246 127 G HA2 -0.281 3.681 3.960 0.004 0.000 0.273 127 G HA3 -0.281 3.681 3.960 0.004 0.000 0.273 127 G C -0.524 174.205 174.900 -0.286 0.000 1.055 127 G CA -0.305 44.581 45.100 -0.356 0.000 0.851 127 G HN 0.393 nan 8.290 nan 0.000 0.500 128 F N 0.627 120.466 119.950 -0.184 0.000 2.456 128 F HA 0.551 5.080 4.527 0.004 0.000 0.358 128 F C 0.851 176.644 175.800 -0.011 0.000 1.095 128 F CA -0.235 57.730 58.000 -0.057 0.000 1.216 128 F CB 1.446 40.387 39.000 -0.098 0.000 1.125 128 F HN 0.380 nan 8.300 nan 0.000 0.549 129 A N 2.945 126.014 122.820 0.416 0.000 2.256 129 A HA 0.652 4.975 4.320 0.004 0.000 0.317 129 A C -0.428 177.276 177.584 0.199 0.000 1.318 129 A CA -0.450 51.791 52.037 0.339 0.000 0.894 129 A CB 0.089 19.447 19.000 0.596 0.000 1.165 129 A HN 0.675 nan 8.150 nan 0.000 0.525 130 T N 3.011 117.447 114.554 -0.196 0.000 2.815 130 T HA 0.488 4.840 4.350 0.004 0.000 0.289 130 T C -1.098 173.508 174.700 -0.157 0.000 1.000 130 T CA 0.037 62.079 62.100 -0.096 0.000 0.958 130 T CB 0.185 68.954 68.868 -0.165 0.000 0.944 130 T HN 0.411 nan 8.240 nan 0.000 0.442 131 Y N 2.345 122.762 120.300 0.197 0.000 2.328 131 Y HA 0.584 5.137 4.550 0.004 0.000 0.337 131 Y C 0.969 176.889 175.900 0.033 0.000 1.008 131 Y CA -0.969 57.257 58.100 0.209 0.000 1.129 131 Y CB 1.064 39.692 38.460 0.281 0.000 1.185 131 Y HN 0.309 nan 8.280 nan 0.000 0.476 132 R N 2.155 122.707 120.500 0.086 0.000 2.621 132 R HA 0.362 4.705 4.340 0.004 0.000 0.292 132 R C -1.182 174.970 176.300 -0.246 0.000 0.969 132 R CA -1.053 54.984 56.100 -0.106 0.000 0.887 132 R CB 1.883 32.135 30.300 -0.081 0.000 1.180 132 R HN 0.537 nan 8.270 nan 0.000 0.450 133 N N 1.119 119.472 118.700 -0.577 0.000 2.407 133 N HA 0.256 4.998 4.740 0.004 0.000 0.277 133 N C -1.510 173.743 175.510 -0.429 0.000 0.995 133 N CA -0.120 52.516 53.050 -0.690 0.000 0.903 133 N CB 2.145 39.778 38.487 -1.424 0.000 1.218 133 N HN 0.405 nan 8.380 nan 0.000 0.487 134 T N 2.532 116.945 114.554 -0.234 0.000 2.770 134 T HA 0.240 4.593 4.350 0.004 0.000 0.283 134 T C -0.677 174.012 174.700 -0.019 0.000 0.988 134 T CA -0.219 61.827 62.100 -0.090 0.000 0.957 134 T CB 0.469 69.302 68.868 -0.058 0.000 0.930 134 T HN 0.512 nan 8.240 nan 0.000 0.443 135 D N 2.172 122.617 120.400 0.075 0.000 2.800 135 D HA -0.210 4.432 4.640 0.004 0.000 0.232 135 D C 0.120 176.575 176.300 0.258 0.000 1.137 135 D CA 0.482 54.581 54.000 0.164 0.000 0.718 135 D CB -1.473 39.400 40.800 0.121 0.000 1.084 135 D HN 0.796 nan 8.370 nan 0.000 0.432 136 F N -0.005 119.981 119.950 0.060 0.000 2.635 136 F HA -0.338 4.191 4.527 0.004 0.000 0.228 136 F C 0.236 176.155 175.800 0.198 0.000 1.029 136 F CA 0.998 59.059 58.000 0.103 0.000 0.907 136 F CB -1.735 37.424 39.000 0.265 0.000 0.893 136 F HN 0.177 nan 8.300 nan 0.000 0.845 137 F N 0.430 120.336 119.950 -0.073 0.000 3.057 137 F HA -0.189 4.341 4.527 0.004 0.000 0.287 137 F C 1.544 177.350 175.800 0.010 0.000 0.834 137 F CA 1.277 59.221 58.000 -0.094 0.000 1.147 137 F CB -1.609 37.236 39.000 -0.259 0.000 1.245 137 F HN 1.150 nan 8.300 nan 0.000 0.509 138 G N -0.421 108.479 108.800 0.167 0.000 2.168 138 G HA2 -0.331 3.631 3.960 0.004 0.000 0.257 138 G HA3 -0.331 3.631 3.960 0.004 0.000 0.257 138 G C 0.779 175.796 174.900 0.195 0.000 0.997 138 G CA 0.413 45.609 45.100 0.161 0.000 0.708 138 G HN 0.578 nan 8.290 nan 0.000 0.520 139 L N -1.177 120.212 121.223 0.276 0.000 2.515 139 L HA 0.281 4.623 4.340 0.004 0.000 0.223 139 L C 0.622 177.679 176.870 0.311 0.000 1.079 139 L CA 0.479 55.499 54.840 0.300 0.000 0.857 139 L CB 0.600 42.889 42.059 0.384 0.000 1.050 139 L HN 0.126 nan 8.230 nan 0.000 0.476 140 V N 0.550 120.680 119.914 0.360 0.000 2.380 140 V HA 0.197 4.320 4.120 0.004 0.000 0.272 140 V C -0.853 175.416 176.094 0.292 0.000 1.011 140 V CA -0.957 61.525 62.300 0.303 0.000 0.826 140 V CB 1.270 33.257 31.823 0.272 0.000 1.040 140 V HN 0.069 nan 8.190 nan 0.000 0.441 141 D N 3.752 124.294 120.400 0.236 0.000 2.487 141 D HA 0.333 4.976 4.640 0.004 0.000 0.243 141 D C 1.288 177.697 176.300 0.182 0.000 1.154 141 D CA 1.854 55.961 54.000 0.178 0.000 0.876 141 D CB 1.479 42.360 40.800 0.134 0.000 1.161 141 D HN 0.895 nan 8.370 nan 0.000 0.478 142 G N 1.795 110.658 108.800 0.106 0.000 2.254 142 G HA2 -0.263 3.699 3.960 0.004 0.000 0.225 142 G HA3 -0.263 3.699 3.960 0.004 0.000 0.225 142 G C 0.153 175.130 174.900 0.128 0.000 1.003 142 G CA -0.198 44.890 45.100 -0.020 0.000 0.622 142 G HN 0.482 nan 8.290 nan 0.000 0.507 143 L N 2.716 124.147 121.223 0.346 0.000 2.261 143 L HA 0.718 5.060 4.340 0.004 0.000 0.289 143 L C -1.046 176.008 176.870 0.307 0.000 1.059 143 L CA -0.916 54.174 54.840 0.416 0.000 0.816 143 L CB 0.830 43.112 42.059 0.373 0.000 1.191 143 L HN 0.112 nan 8.230 nan 0.000 0.431 144 D N 5.145 125.706 120.400 0.267 0.000 2.350 144 D HA 0.584 5.227 4.640 0.004 0.000 0.245 144 D C -0.809 175.659 176.300 0.279 0.000 1.036 144 D CA 0.256 54.367 54.000 0.185 0.000 0.848 144 D CB 1.729 42.588 40.800 0.098 0.000 1.307 144 D HN 0.324 nan 8.370 nan 0.000 0.469 145 F N -0.658 119.336 119.950 0.074 0.000 2.626 145 F HA 0.883 5.413 4.527 0.004 0.000 0.311 145 F C -1.548 174.282 175.800 0.050 0.000 1.088 145 F CA -1.265 56.771 58.000 0.061 0.000 0.949 145 F CB 1.417 40.463 39.000 0.078 0.000 1.322 145 F HN 0.345 nan 8.300 nan 0.000 0.461 146 A N 1.617 124.548 122.820 0.184 0.000 2.486 146 A HA 0.781 5.103 4.320 0.004 0.000 0.300 146 A C -1.983 175.703 177.584 0.170 0.000 1.048 146 A CA -0.827 51.262 52.037 0.086 0.000 0.696 146 A CB 1.633 20.639 19.000 0.010 0.000 1.278 146 A HN 0.880 nan 8.150 nan 0.000 0.405 147 V N 1.659 121.688 119.914 0.190 0.000 2.628 147 V HA 0.681 4.804 4.120 0.004 0.000 0.306 147 V C -0.108 176.062 176.094 0.126 0.000 1.045 147 V CA -0.422 61.948 62.300 0.116 0.000 0.905 147 V CB 1.618 33.520 31.823 0.131 0.000 0.997 147 V HN 0.960 nan 8.190 nan 0.000 0.436 148 Q N 2.454 122.201 119.800 -0.088 0.000 2.315 148 Q HA 0.567 4.909 4.340 0.004 0.000 0.273 148 Q C -2.245 173.652 176.000 -0.172 0.000 1.053 148 Q CA -0.632 55.173 55.803 0.002 0.000 0.817 148 Q CB 2.510 31.239 28.738 -0.015 0.000 1.326 148 Q HN 0.731 nan 8.270 nan 0.000 0.423 149 Y N 1.120 121.611 120.300 0.319 0.000 2.364 149 Y HA 0.346 4.899 4.550 0.004 0.000 0.340 149 Y C -0.389 175.699 175.900 0.313 0.000 0.975 149 Y CA -0.708 57.566 58.100 0.289 0.000 1.089 149 Y CB 2.132 40.766 38.460 0.290 0.000 1.192 149 Y HN 0.497 nan 8.280 nan 0.000 0.454 150 Q N 2.172 122.190 119.800 0.363 0.000 2.333 150 Q HA 0.567 4.909 4.340 0.004 0.000 0.268 150 Q C -0.127 175.956 176.000 0.138 0.000 1.007 150 Q CA -0.779 55.126 55.803 0.169 0.000 0.810 150 Q CB 1.428 30.176 28.738 0.018 0.000 1.264 150 Q HN 0.984 nan 8.270 nan 0.000 0.452 151 G N 2.850 111.720 108.800 0.115 0.000 2.569 151 G HA2 0.041 4.004 3.960 0.004 0.000 0.249 151 G HA3 0.041 4.004 3.960 0.004 0.000 0.249 151 G C -0.604 174.321 174.900 0.043 0.000 1.216 151 G CA -0.474 44.687 45.100 0.102 0.000 0.845 151 G HN 0.704 nan 8.290 nan 0.000 0.568 152 K N 1.106 121.536 120.400 0.051 0.000 2.466 152 K HA -0.047 4.276 4.320 0.004 0.000 0.278 152 K C -0.487 176.117 176.600 0.008 0.000 1.048 152 K CA 0.189 56.495 56.287 0.032 0.000 1.088 152 K CB 0.031 32.554 32.500 0.038 0.000 0.884 152 K HN 0.425 nan 8.250 nan 0.000 0.478 153 N N 3.589 122.279 118.700 -0.016 0.000 2.621 153 N HA 0.166 4.908 4.740 0.004 0.000 0.237 153 N C -0.100 175.399 175.510 -0.017 0.000 0.997 153 N CA -0.266 52.767 53.050 -0.029 0.000 0.918 153 N CB 1.809 40.254 38.487 -0.071 0.000 1.122 153 N HN 0.760 nan 8.380 nan 0.000 0.510 154 G N 0.455 109.254 108.800 -0.002 0.000 2.641 154 G HA2 0.336 4.298 3.960 0.004 0.000 0.239 154 G HA3 0.336 4.298 3.960 0.004 0.000 0.239 154 G C 0.150 175.053 174.900 0.004 0.000 1.402 154 G CA -0.324 44.778 45.100 0.004 0.000 1.046 154 G HN 0.418 nan 8.290 nan 0.000 0.565 155 S N -1.494 114.204 115.700 -0.004 0.000 2.645 155 S HA 0.508 4.980 4.470 0.004 0.000 0.266 155 S C 0.989 175.596 174.600 0.011 0.000 1.258 155 S CA 0.230 58.423 58.200 -0.011 0.000 0.990 155 S CB 1.584 64.725 63.200 -0.099 0.000 0.967 155 S HN 1.235 nan 8.310 nan 0.000 0.556 156 A N 0.230 123.096 122.820 0.077 0.000 2.275 156 A HA 0.270 4.593 4.320 0.004 0.000 0.212 156 A C 0.672 178.358 177.584 0.170 0.000 1.201 156 A CA 0.021 52.126 52.037 0.114 0.000 0.843 156 A CB -0.661 18.416 19.000 0.127 0.000 0.873 156 A HN 1.010 nan 8.150 nan 0.000 0.492 157 H N -4.207 114.875 119.070 0.020 0.000 3.064 157 H HA 0.494 5.052 4.556 0.004 0.000 0.352 157 H C 0.382 175.715 175.328 0.009 0.000 1.260 157 H CA -0.348 55.709 56.048 0.014 0.000 1.160 157 H CB 0.391 30.164 29.762 0.017 0.000 1.879 157 H HN 1.019 nan 8.280 nan 0.000 0.544 158 G N 1.754 110.527 108.800 -0.046 0.000 2.528 158 G HA2 -0.304 3.658 3.960 0.004 0.000 0.262 158 G HA3 -0.304 3.658 3.960 0.004 0.000 0.262 158 G C -0.153 174.654 174.900 -0.155 0.000 1.200 158 G CA 0.513 45.547 45.100 -0.110 0.000 0.951 158 G HN 0.951 nan 8.290 nan 0.000 0.566 159 E N 1.316 121.387 120.200 -0.215 0.000 2.383 159 E HA 0.471 4.823 4.350 0.004 0.000 0.264 159 E C 1.234 177.738 176.600 -0.161 0.000 1.050 159 E CA 1.502 57.763 56.400 -0.232 0.000 0.896 159 E CB 0.216 29.661 29.700 -0.426 0.000 0.982 159 E HN 2.337 nan 8.360 nan 0.000 0.424 160 G N 3.652 112.387 108.800 -0.109 0.000 2.221 160 G HA2 -0.333 3.630 3.960 0.004 0.000 0.265 160 G HA3 -0.333 3.630 3.960 0.004 0.000 0.265 160 G C 0.121 175.000 174.900 -0.035 0.000 1.041 160 G CA 0.600 45.675 45.100 -0.042 0.000 0.807 160 G HN 0.515 nan 8.290 nan 0.000 0.502 161 M N 1.528 121.099 119.600 -0.048 0.000 2.235 161 M HA 0.585 5.068 4.480 0.004 0.000 0.351 161 M C 0.903 177.198 176.300 -0.009 0.000 1.178 161 M CA 0.415 55.696 55.300 -0.031 0.000 1.143 161 M CB 0.843 33.425 32.600 -0.031 0.000 1.530 161 M HN 0.519 nan 8.290 nan 0.000 0.461 162 T N -0.119 114.436 114.554 0.003 0.000 2.930 162 T HA 0.289 4.641 4.350 0.004 0.000 0.290 162 T C 0.638 175.349 174.700 0.018 0.000 1.052 162 T CA -0.537 61.570 62.100 0.011 0.000 1.017 162 T CB 1.514 70.391 68.868 0.014 0.000 1.137 162 T HN 0.709 nan 8.240 nan 0.000 0.511 163 T N 0.918 115.485 114.554 0.022 0.000 2.833 163 T HA -0.117 4.236 4.350 0.004 0.000 0.269 163 T C 1.285 176.002 174.700 0.030 0.000 1.054 163 T CA 1.788 63.903 62.100 0.026 0.000 1.135 163 T CB -0.847 68.038 68.868 0.029 0.000 0.869 163 T HN 0.794 nan 8.240 nan 0.000 0.466 164 N N 0.855 119.573 118.700 0.029 0.000 2.378 164 N HA 0.233 4.975 4.740 0.004 0.000 0.243 164 N C 0.554 176.077 175.510 0.021 0.000 1.137 164 N CA -0.217 52.850 53.050 0.027 0.000 0.862 164 N CB -0.507 37.995 38.487 0.025 0.000 1.116 164 N HN 0.333 nan 8.380 nan 0.000 0.499 165 G N 0.948 109.763 108.800 0.024 0.000 2.690 165 G HA2 0.245 4.207 3.960 0.004 0.000 0.239 165 G HA3 0.245 4.207 3.960 0.004 0.000 0.239 165 G C -0.096 174.824 174.900 0.032 0.000 1.233 165 G CA -0.602 44.513 45.100 0.025 0.000 0.847 165 G HN 0.622 nan 8.290 nan 0.000 0.588 166 R N 0.564 121.085 120.500 0.034 0.000 2.548 166 R HA 0.299 4.642 4.340 0.004 0.000 0.280 166 R C -1.321 175.015 176.300 0.060 0.000 1.061 166 R CA -0.828 55.295 56.100 0.039 0.000 0.915 166 R CB 1.585 31.894 30.300 0.015 0.000 1.210 166 R HN 0.311 nan 8.270 nan 0.000 0.442 167 D N 0.467 120.916 120.400 0.081 0.000 2.323 167 D HA -0.063 4.579 4.640 0.004 0.000 0.209 167 D C -0.273 176.076 176.300 0.082 0.000 0.973 167 D CA 0.991 55.060 54.000 0.116 0.000 0.874 167 D CB 0.191 41.068 40.800 0.129 0.000 0.930 167 D HN 0.511 nan 8.370 nan 0.000 0.521 168 D N 0.661 121.098 120.400 0.061 0.000 2.346 168 D HA -0.035 4.608 4.640 0.004 0.000 0.260 168 D C 1.721 178.050 176.300 0.049 0.000 1.252 168 D CA -0.151 53.889 54.000 0.067 0.000 0.895 168 D CB 1.248 42.093 40.800 0.075 0.000 1.097 168 D HN -0.088 nan 8.370 nan 0.000 0.489 169 V N 2.583 122.489 119.914 -0.012 0.000 2.626 169 V HA -0.162 3.961 4.120 0.004 0.000 0.252 169 V C 1.878 177.991 176.094 0.031 0.000 1.067 169 V CA 1.023 63.305 62.300 -0.030 0.000 1.081 169 V CB -1.108 30.676 31.823 -0.064 0.000 0.686 169 V HN 0.357 nan 8.190 nan 0.000 0.468 170 F N 1.433 121.468 119.950 0.141 0.000 2.451 170 F HA 0.088 4.617 4.527 0.005 0.000 0.299 170 F C 2.379 178.193 175.800 0.022 0.000 1.101 170 F CA 1.539 59.617 58.000 0.131 0.000 1.436 170 F CB -0.400 38.544 39.000 -0.094 0.000 1.074 170 F HN 0.281 nan 8.300 nan 0.000 0.553 171 E N -0.910 119.354 120.200 0.107 0.000 2.498 171 E HA 0.056 4.408 4.350 0.004 0.000 0.203 171 E C 0.531 177.084 176.600 -0.079 0.000 1.013 171 E CA -0.132 56.261 56.400 -0.012 0.000 0.927 171 E CB 0.222 29.916 29.700 -0.011 0.000 1.012 171 E HN 0.446 nan 8.360 nan 0.000 0.482 172 Q N 1.526 121.283 119.800 -0.072 0.000 2.396 172 Q HA 0.222 4.565 4.340 0.004 0.000 0.221 172 Q C 0.049 175.932 176.000 -0.194 0.000 1.025 172 Q CA -0.064 55.685 55.803 -0.091 0.000 0.946 172 Q CB 0.677 29.395 28.738 -0.033 0.000 1.224 172 Q HN 0.130 nan 8.270 nan 0.000 0.539 173 N N -1.473 117.166 118.700 -0.101 0.000 2.859 173 N HA 0.328 5.071 4.740 0.004 0.000 0.250 173 N C -1.017 174.525 175.510 0.052 0.000 1.341 173 N CA -0.573 52.466 53.050 -0.018 0.000 0.881 173 N CB 1.026 39.499 38.487 -0.023 0.000 1.516 173 N HN 0.618 nan 8.380 nan 0.000 0.503 174 G N -0.294 108.575 108.800 0.115 0.000 2.532 174 G HA2 0.282 4.245 3.960 0.004 0.000 0.291 174 G HA3 0.282 4.245 3.960 0.004 0.000 0.291 174 G C -0.617 174.340 174.900 0.095 0.000 1.349 174 G CA -0.338 44.814 45.100 0.087 0.000 1.038 174 G HN 0.591 nan 8.290 nan 0.000 0.518 175 D N -0.239 120.213 120.400 0.087 0.000 2.493 175 D HA 0.432 5.074 4.640 0.004 0.000 0.240 175 D C 0.587 176.958 176.300 0.119 0.000 1.142 175 D CA 0.893 54.958 54.000 0.109 0.000 0.872 175 D CB 1.167 42.031 40.800 0.106 0.000 1.173 175 D HN 0.540 nan 8.370 nan 0.000 0.467 176 G N 0.038 108.927 108.800 0.148 0.000 2.612 176 G HA2 0.591 4.554 3.960 0.004 0.000 0.298 176 G HA3 0.591 4.554 3.960 0.004 0.000 0.298 176 G C -1.248 173.734 174.900 0.137 0.000 1.336 176 G CA -0.517 44.662 45.100 0.131 0.000 0.953 176 G HN 0.332 nan 8.290 nan 0.000 0.482 177 V N -0.127 119.820 119.914 0.055 0.000 2.789 177 V HA 0.950 5.073 4.120 0.004 0.000 0.311 177 V C 0.446 176.494 176.094 -0.077 0.000 1.073 177 V CA -0.153 62.115 62.300 -0.053 0.000 0.921 177 V CB 1.814 33.605 31.823 -0.052 0.000 1.009 177 V HN 1.267 nan 8.190 nan 0.000 0.426 178 G N 1.326 110.050 108.800 -0.127 0.000 2.690 178 G HA2 0.780 4.743 3.960 0.004 0.000 0.293 178 G HA3 0.780 4.743 3.960 0.004 0.000 0.293 178 G C -0.803 174.040 174.900 -0.094 0.000 1.399 178 G CA -0.195 44.847 45.100 -0.095 0.000 0.890 178 G HN 1.115 nan 8.290 nan 0.000 0.485 179 G N -0.781 107.983 108.800 -0.060 0.000 2.659 179 G HA2 0.794 4.757 3.960 0.004 0.000 0.296 179 G HA3 0.794 4.757 3.960 0.004 0.000 0.296 179 G C -0.659 174.237 174.900 -0.007 0.000 1.369 179 G CA 0.092 45.186 45.100 -0.011 0.000 0.937 179 G HN 1.583 nan 8.290 nan 0.000 0.485 180 S N -0.323 115.398 115.700 0.035 0.000 2.540 180 S HA 0.803 5.275 4.470 0.004 0.000 0.275 180 S C -1.001 173.660 174.600 0.101 0.000 1.123 180 S CA -0.762 57.450 58.200 0.021 0.000 0.907 180 S CB 1.723 64.901 63.200 -0.037 0.000 1.081 180 S HN 0.647 nan 8.310 nan 0.000 0.476 181 I N 2.223 122.844 120.570 0.085 0.000 2.545 181 I HA 0.648 4.821 4.170 0.004 0.000 0.292 181 I C -0.373 175.825 176.117 0.135 0.000 1.040 181 I CA -0.596 60.791 61.300 0.145 0.000 1.068 181 I CB 2.638 40.706 38.000 0.112 0.000 1.251 181 I HN 0.970 nan 8.210 nan 0.000 0.424 182 T N 1.457 116.134 114.554 0.206 0.000 2.900 182 T HA 0.587 4.940 4.350 0.004 0.000 0.303 182 T C -1.478 173.434 174.700 0.354 0.000 1.142 182 T CA -0.810 61.461 62.100 0.285 0.000 1.007 182 T CB 2.128 71.195 68.868 0.331 0.000 1.156 182 T HN 0.454 nan 8.240 nan 0.000 0.490 183 Y N 1.782 122.216 120.300 0.223 0.000 2.354 183 Y HA 0.538 5.091 4.550 0.004 0.000 0.330 183 Y C -1.103 174.898 175.900 0.168 0.000 1.011 183 Y CA -1.049 57.153 58.100 0.170 0.000 1.099 183 Y CB 1.642 40.177 38.460 0.125 0.000 1.179 183 Y HN 0.820 nan 8.280 nan 0.000 0.442 184 N N 5.256 123.724 118.700 -0.387 0.000 2.321 184 N HA 0.310 5.053 4.740 0.004 0.000 0.299 184 N C -2.129 173.118 175.510 -0.438 0.000 1.048 184 N CA -0.602 52.257 53.050 -0.318 0.000 0.836 184 N CB 2.597 40.954 38.487 -0.217 0.000 1.269 184 N HN 0.686 nan 8.380 nan 0.000 0.486 185 Y N 0.748 120.865 120.300 -0.305 0.000 2.323 185 Y HA 0.066 4.618 4.550 0.004 0.000 0.322 185 Y C -0.360 175.575 175.900 0.058 0.000 1.133 185 Y CA -0.386 57.616 58.100 -0.164 0.000 1.093 185 Y CB 0.733 39.134 38.460 -0.098 0.000 1.203 185 Y HN 0.653 nan 8.280 nan 0.000 0.427 186 E N 4.445 124.395 120.200 -0.417 0.000 2.269 186 E HA -0.302 4.050 4.350 0.004 0.000 0.223 186 E C 1.076 177.645 176.600 -0.052 0.000 1.244 186 E CA 1.330 57.589 56.400 -0.235 0.000 0.713 186 E CB -1.167 28.401 29.700 -0.219 0.000 1.178 186 E HN 1.286 nan 8.360 nan 0.000 0.370 187 G N -0.871 107.809 108.800 -0.199 0.000 2.258 187 G HA2 -0.333 3.629 3.960 0.004 0.000 0.233 187 G HA3 -0.333 3.629 3.960 0.004 0.000 0.233 187 G C 0.058 174.685 174.900 -0.455 0.000 1.006 187 G CA 0.112 44.940 45.100 -0.453 0.000 0.620 187 G HN 0.242 nan 8.290 nan 0.000 0.511 188 F N 1.980 121.900 119.950 -0.051 0.000 2.410 188 F HA 0.589 5.119 4.527 0.004 0.000 0.348 188 F C 1.060 176.808 175.800 -0.087 0.000 1.106 188 F CA 0.226 58.247 58.000 0.035 0.000 1.163 188 F CB 1.721 40.811 39.000 0.151 0.000 1.129 188 F HN 0.284 nan 8.300 nan 0.000 0.516 189 G N 3.782 112.566 108.800 -0.026 0.000 2.495 189 G HA2 0.698 4.661 3.960 0.004 0.000 0.318 189 G HA3 0.698 4.661 3.960 0.004 0.000 0.318 189 G C -1.816 173.144 174.900 0.099 0.000 1.257 189 G CA -0.658 44.333 45.100 -0.182 0.000 0.962 189 G HN 0.696 nan 8.290 nan 0.000 0.483 190 I N 1.133 121.908 120.570 0.342 0.000 2.692 190 I HA 0.767 4.939 4.170 0.004 0.000 0.293 190 I C -0.258 176.172 176.117 0.521 0.000 1.200 190 I CA -0.595 60.982 61.300 0.462 0.000 1.036 190 I CB 2.194 40.378 38.000 0.307 0.000 1.258 190 I HN 0.799 nan 8.210 nan 0.000 0.421 191 G N 4.953 113.969 108.800 0.360 0.000 2.718 191 G HA2 0.808 4.771 3.960 0.004 0.000 0.295 191 G HA3 0.808 4.771 3.960 0.004 0.000 0.295 191 G C -2.114 172.778 174.900 -0.014 0.000 1.421 191 G CA -0.335 44.826 45.100 0.103 0.000 0.902 191 G HN 0.849 nan 8.290 nan 0.000 0.501 192 A N -0.475 122.337 122.820 -0.014 0.000 2.435 192 A HA 1.053 5.375 4.320 0.004 0.000 0.304 192 A C -0.233 177.324 177.584 -0.045 0.000 1.064 192 A CA -0.088 51.941 52.037 -0.014 0.000 0.727 192 A CB 1.860 20.882 19.000 0.037 0.000 1.284 192 A HN 2.360 nan 8.150 nan 0.000 0.415 193 A N 0.472 123.262 122.820 -0.049 0.000 2.539 193 A HA 0.790 5.113 4.320 0.004 0.000 0.296 193 A C -1.416 176.138 177.584 -0.051 0.000 1.073 193 A CA -0.504 51.493 52.037 -0.066 0.000 0.700 193 A CB 1.601 20.524 19.000 -0.129 0.000 1.296 193 A HN 1.548 nan 8.150 nan 0.000 0.405 194 V N 1.275 121.145 119.914 -0.074 0.000 2.808 194 V HA 0.788 4.910 4.120 0.004 0.000 0.308 194 V C -0.257 175.737 176.094 -0.167 0.000 1.099 194 V CA -0.056 62.160 62.300 -0.139 0.000 0.920 194 V CB 2.198 33.986 31.823 -0.059 0.000 1.014 194 V HN 1.468 nan 8.190 nan 0.000 0.425 195 S N 2.065 117.614 115.700 -0.250 0.000 2.546 195 S HA 0.835 5.308 4.470 0.004 0.000 0.274 195 S C -0.874 173.597 174.600 -0.215 0.000 1.121 195 S CA -0.676 57.419 58.200 -0.173 0.000 0.887 195 S CB 2.107 65.243 63.200 -0.107 0.000 1.094 195 S HN 0.855 nan 8.310 nan 0.000 0.474 196 S N 1.503 117.126 115.700 -0.130 0.000 2.775 196 S HA 0.667 5.140 4.470 0.004 0.000 0.277 196 S C -1.183 173.379 174.600 -0.064 0.000 1.156 196 S CA -0.427 57.700 58.200 -0.121 0.000 1.081 196 S CB 0.718 63.865 63.200 -0.089 0.000 1.054 196 S HN 0.770 nan 8.310 nan 0.000 0.482 197 S N 3.584 119.222 115.700 -0.103 0.000 2.503 197 S HA 0.482 4.955 4.470 0.004 0.000 0.301 197 S C -0.564 173.994 174.600 -0.070 0.000 1.087 197 S CA -0.834 57.349 58.200 -0.029 0.000 1.042 197 S CB 1.559 64.801 63.200 0.069 0.000 1.043 197 S HN 0.736 nan 8.310 nan 0.000 0.489 198 K N 1.727 122.136 120.400 0.015 0.000 2.249 198 K HA 0.263 4.585 4.320 0.004 0.000 0.280 198 K C -0.425 176.204 176.600 0.048 0.000 1.033 198 K CA -0.315 55.977 56.287 0.008 0.000 0.946 198 K CB 0.518 33.039 32.500 0.036 0.000 1.005 198 K HN 0.501 nan 8.250 nan 0.000 0.469 199 R N 1.677 122.172 120.500 -0.008 0.000 2.349 199 R HA 0.122 4.465 4.340 0.004 0.000 0.299 199 R C 0.181 176.490 176.300 0.016 0.000 1.027 199 R CA -0.476 55.633 56.100 0.015 0.000 0.958 199 R CB 1.289 31.508 30.300 -0.134 0.000 1.047 199 R HN 0.742 nan 8.270 nan 0.000 0.468 200 T N -1.574 112.999 114.554 0.032 0.000 2.754 200 T HA -0.014 4.339 4.350 0.004 0.000 0.286 200 T C 0.934 175.684 174.700 0.082 0.000 0.997 200 T CA -0.596 61.545 62.100 0.068 0.000 0.982 200 T CB 0.710 69.617 68.868 0.066 0.000 1.027 200 T HN 0.779 nan 8.240 nan 0.000 0.529 201 W N 0.711 121.991 121.300 -0.032 0.000 2.358 201 W HA -0.036 4.627 4.660 0.004 0.000 0.303 201 W C 1.705 178.209 176.519 -0.025 0.000 1.208 201 W CA 1.582 58.910 57.345 -0.029 0.000 1.274 201 W CB -0.367 29.075 29.460 -0.029 0.000 1.138 201 W HN 0.777 nan 8.180 nan 0.000 0.515 202 D N -0.182 120.344 120.400 0.209 0.000 2.149 202 D HA -0.242 4.401 4.640 0.004 0.000 0.198 202 D C 2.122 178.378 176.300 -0.073 0.000 0.990 202 D CA 1.917 55.958 54.000 0.068 0.000 0.839 202 D CB -0.611 40.263 40.800 0.123 0.000 0.948 202 D HN 0.494 nan 8.370 nan 0.000 0.460 203 Q N -0.288 119.475 119.800 -0.061 0.000 2.369 203 Q HA 0.018 4.361 4.340 0.004 0.000 0.206 203 Q C 0.956 176.884 176.000 -0.121 0.000 0.963 203 Q CA 0.636 56.408 55.803 -0.053 0.000 0.894 203 Q CB 0.001 28.615 28.738 -0.207 0.000 0.965 203 Q HN 0.161 nan 8.270 nan 0.000 0.475 204 N N 0.470 119.033 118.700 -0.228 0.000 2.254 204 N HA 0.062 4.804 4.740 0.004 0.000 0.190 204 N C -0.005 175.296 175.510 -0.349 0.000 1.107 204 N CA 0.236 53.136 53.050 -0.250 0.000 0.869 204 N CB 0.565 38.898 38.487 -0.258 0.000 0.983 204 N HN 0.240 nan 8.380 nan 0.000 0.487 205 N N 0.100 118.493 118.700 -0.510 0.000 2.571 205 N HA 0.099 4.841 4.740 0.004 0.000 0.298 205 N C -0.128 175.176 175.510 -0.343 0.000 1.671 205 N CA 0.215 52.898 53.050 -0.613 0.000 0.900 205 N CB 1.013 38.619 38.487 -1.469 0.000 1.365 205 N HN 0.123 nan 8.380 nan 0.000 0.493 206 T N -4.243 110.211 114.554 -0.166 0.000 3.275 206 T HA 0.314 4.666 4.350 0.004 0.000 0.298 206 T C 1.124 175.810 174.700 -0.024 0.000 0.988 206 T CA 0.218 62.279 62.100 -0.065 0.000 0.936 206 T CB 0.669 69.516 68.868 -0.035 0.000 1.159 206 T HN 0.204 nan 8.240 nan 0.000 0.519 207 G N 1.543 110.330 108.800 -0.023 0.000 2.179 207 G HA2 -0.221 3.742 3.960 0.004 0.000 0.260 207 G HA3 -0.221 3.742 3.960 0.004 0.000 0.260 207 G C -0.021 174.905 174.900 0.042 0.000 0.977 207 G CA 0.179 45.284 45.100 0.009 0.000 0.641 207 G HN 0.644 nan 8.290 nan 0.000 0.533 208 L N 0.945 122.206 121.223 0.064 0.000 2.468 208 L HA 0.652 4.995 4.340 0.004 0.000 0.254 208 L C 1.642 178.613 176.870 0.168 0.000 1.171 208 L CA -0.897 54.008 54.840 0.108 0.000 0.809 208 L CB 0.548 42.666 42.059 0.097 0.000 1.155 208 L HN 0.375 nan 8.230 nan 0.000 0.473 209 I N -1.840 118.851 120.570 0.203 0.000 2.834 209 I HA 0.597 4.769 4.170 0.004 0.000 0.305 209 I C 0.928 177.252 176.117 0.345 0.000 1.008 209 I CA -0.314 61.125 61.300 0.232 0.000 1.273 209 I CB 1.111 39.247 38.000 0.228 0.000 1.432 209 I HN 0.746 nan 8.210 nan 0.000 0.557 210 G N 2.356 111.323 108.800 0.279 0.000 2.198 210 G HA2 -0.233 3.730 3.960 0.004 0.000 0.257 210 G HA3 -0.233 3.730 3.960 0.004 0.000 0.257 210 G C 0.156 175.181 174.900 0.209 0.000 1.042 210 G CA 0.290 45.567 45.100 0.296 0.000 0.791 210 G HN 1.257 nan 8.290 nan 0.000 0.502 211 T N -1.699 112.935 114.554 0.134 0.000 2.868 211 T HA 0.802 5.154 4.350 0.004 0.000 0.292 211 T C 0.702 175.387 174.700 -0.026 0.000 1.028 211 T CA 0.430 62.537 62.100 0.011 0.000 1.059 211 T CB 2.563 71.431 68.868 -0.000 0.000 0.991 211 T HN 2.063 nan 8.240 nan 0.000 0.531 212 G N 0.669 109.420 108.800 -0.082 0.000 2.316 212 G HA2 0.300 4.263 3.960 0.004 0.000 0.296 212 G HA3 0.300 4.263 3.960 0.004 0.000 0.296 212 G C -0.263 174.579 174.900 -0.096 0.000 1.399 212 G CA -0.077 44.982 45.100 -0.069 0.000 0.833 212 G HN 0.643 nan 8.290 nan 0.000 0.565 213 D N -0.641 119.717 120.400 -0.070 0.000 2.097 213 D HA 0.042 4.685 4.640 0.004 0.000 0.197 213 D C 1.068 177.315 176.300 -0.087 0.000 0.984 213 D CA 1.222 55.185 54.000 -0.062 0.000 0.826 213 D CB 0.185 40.962 40.800 -0.038 0.000 0.973 213 D HN 0.418 nan 8.370 nan 0.000 0.460 214 R N -0.716 119.717 120.500 -0.113 0.000 2.795 214 R HA 0.739 5.081 4.340 0.004 0.000 0.275 214 R C -1.084 175.065 176.300 -0.252 0.000 0.981 214 R CA -0.985 55.021 56.100 -0.157 0.000 0.917 214 R CB 2.240 32.474 30.300 -0.110 0.000 1.202 214 R HN -0.038 nan 8.270 nan 0.000 0.469 215 A N 1.830 124.392 122.820 -0.429 0.000 2.305 215 A HA 0.497 4.819 4.320 0.004 0.000 0.322 215 A C -0.732 176.625 177.584 -0.377 0.000 1.187 215 A CA -0.453 51.213 52.037 -0.618 0.000 0.825 215 A CB 0.729 18.756 19.000 -1.622 0.000 1.164 215 A HN 0.745 nan 8.150 nan 0.000 0.498 216 E N 0.535 120.608 120.200 -0.213 0.000 2.308 216 E HA 0.551 4.904 4.350 0.004 0.000 0.275 216 E C -1.104 175.413 176.600 -0.139 0.000 0.890 216 E CA -0.734 55.562 56.400 -0.174 0.000 0.754 216 E CB 2.397 32.068 29.700 -0.050 0.000 1.207 216 E HN 0.721 nan 8.360 nan 0.000 0.426 217 T N -0.578 113.767 114.554 -0.348 0.000 2.886 217 T HA 0.602 4.955 4.350 0.004 0.000 0.292 217 T C -1.297 173.101 174.700 -0.503 0.000 1.012 217 T CA -0.665 61.283 62.100 -0.253 0.000 0.982 217 T CB 0.556 69.337 68.868 -0.144 0.000 1.018 217 T HN 0.372 nan 8.240 nan 0.000 0.451 218 Y N 0.974 121.287 120.300 0.020 0.000 2.326 218 Y HA 0.584 5.136 4.550 0.004 0.000 0.329 218 Y C 0.345 176.236 175.900 -0.015 0.000 0.973 218 Y CA -0.870 57.243 58.100 0.022 0.000 1.162 218 Y CB 2.476 40.982 38.460 0.076 0.000 1.147 218 Y HN 0.736 nan 8.280 nan 0.000 0.456 219 T N 2.375 116.978 114.554 0.081 0.000 2.824 219 T HA 0.709 5.062 4.350 0.004 0.000 0.282 219 T C 0.020 174.747 174.700 0.045 0.000 0.993 219 T CA -0.882 61.229 62.100 0.019 0.000 0.967 219 T CB 1.625 70.447 68.868 -0.077 0.000 0.960 219 T HN 0.852 nan 8.240 nan 0.000 0.441 220 G N 0.431 109.289 108.800 0.096 0.000 2.481 220 G HA2 0.768 4.730 3.960 0.004 0.000 0.315 220 G HA3 0.768 4.730 3.960 0.004 0.000 0.315 220 G C -0.728 174.225 174.900 0.088 0.000 1.231 220 G CA -0.925 44.236 45.100 0.101 0.000 0.968 220 G HN 0.953 nan 8.290 nan 0.000 0.482 221 G N -0.585 108.260 108.800 0.075 0.000 2.742 221 G HA2 0.609 4.572 3.960 0.004 0.000 0.296 221 G HA3 0.609 4.572 3.960 0.004 0.000 0.296 221 G C -1.504 173.610 174.900 0.357 0.000 1.436 221 G CA -0.617 44.562 45.100 0.131 0.000 0.928 221 G HN 0.673 nan 8.290 nan 0.000 0.520 222 L N 0.661 122.126 121.223 0.403 0.000 2.409 222 L HA 0.792 5.134 4.340 0.004 0.000 0.262 222 L C -0.309 176.707 176.870 0.242 0.000 0.992 222 L CA -0.978 54.072 54.840 0.350 0.000 0.817 222 L CB 2.924 45.117 42.059 0.223 0.000 1.350 222 L HN 0.854 nan 8.230 nan 0.000 0.411 223 K N 0.909 121.325 120.400 0.025 0.000 2.555 223 K HA 0.585 4.907 4.320 0.004 0.000 0.279 223 K C -2.011 174.451 176.600 -0.230 0.000 0.986 223 K CA -0.994 55.159 56.287 -0.224 0.000 0.880 223 K CB 2.301 34.479 32.500 -0.536 0.000 1.474 223 K HN 0.361 nan 8.250 nan 0.000 0.433 224 Y N 1.165 121.161 120.300 -0.508 0.000 2.373 224 Y HA 0.421 4.973 4.550 0.004 0.000 0.336 224 Y C -1.824 173.725 175.900 -0.585 0.000 0.979 224 Y CA -0.792 56.972 58.100 -0.559 0.000 1.080 224 Y CB 2.204 40.359 38.460 -0.508 0.000 1.190 224 Y HN 0.874 nan 8.280 nan 0.000 0.446 225 D N 4.936 124.706 120.400 -1.048 0.000 2.429 225 D HA 0.668 5.310 4.640 0.004 0.000 0.255 225 D C -1.609 174.229 176.300 -0.771 0.000 1.257 225 D CA 0.147 53.733 54.000 -0.690 0.000 0.890 225 D CB 0.394 40.969 40.800 -0.375 0.000 1.267 225 D HN 0.816 nan 8.370 nan 0.000 0.521 226 A N 2.407 124.690 122.820 -0.895 0.000 2.597 226 A HA 0.557 4.880 4.320 0.004 0.000 0.292 226 A C -0.329 177.038 177.584 -0.362 0.000 1.057 226 A CA -0.761 50.905 52.037 -0.619 0.000 0.674 226 A CB 0.782 19.369 19.000 -0.687 0.000 1.278 226 A HN 0.224 nan 8.150 nan 0.000 0.416 227 N N 1.545 120.119 118.700 -0.210 0.000 2.735 227 N HA -0.202 4.540 4.740 0.004 0.000 0.248 227 N C 0.206 175.623 175.510 -0.155 0.000 1.083 227 N CA 1.405 54.387 53.050 -0.113 0.000 0.703 227 N CB -1.028 37.460 38.487 0.001 0.000 1.005 227 N HN 0.955 nan 8.380 nan 0.000 0.550 228 N N -2.374 116.175 118.700 -0.252 0.000 2.863 228 N HA -0.222 4.521 4.740 0.004 0.000 0.245 228 N C -0.231 175.038 175.510 -0.402 0.000 1.001 228 N CA 1.360 54.169 53.050 -0.401 0.000 0.901 228 N CB -1.254 36.877 38.487 -0.594 0.000 1.124 228 N HN 0.620 nan 8.380 nan 0.000 0.582 229 I N 0.450 120.918 120.570 -0.169 0.000 2.377 229 I HA 0.297 4.469 4.170 0.004 0.000 0.293 229 I C -0.366 175.752 176.117 0.001 0.000 0.987 229 I CA -0.834 60.471 61.300 0.009 0.000 1.185 229 I CB 1.341 39.449 38.000 0.179 0.000 1.341 229 I HN -0.039 nan 8.210 nan 0.000 0.455 230 Y N 7.171 127.431 120.300 -0.068 0.000 2.338 230 Y HA 0.650 5.202 4.550 0.004 0.000 0.328 230 Y C -1.386 174.510 175.900 -0.008 0.000 0.965 230 Y CA -0.591 57.456 58.100 -0.089 0.000 1.208 230 Y CB 1.061 39.452 38.460 -0.116 0.000 1.132 230 Y HN 0.368 nan 8.280 nan 0.000 0.469 231 L N 5.673 126.665 121.223 -0.386 0.000 2.365 231 L HA 0.986 5.329 4.340 0.004 0.000 0.273 231 L C -0.768 175.861 176.870 -0.401 0.000 1.000 231 L CA -0.991 53.716 54.840 -0.222 0.000 0.819 231 L CB 1.944 43.966 42.059 -0.063 0.000 1.284 231 L HN 0.733 nan 8.230 nan 0.000 0.418 232 A N 2.425 125.142 122.820 -0.172 0.000 2.604 232 A HA 0.954 5.277 4.320 0.004 0.000 0.295 232 A C -1.604 176.002 177.584 0.036 0.000 1.067 232 A CA -0.249 51.742 52.037 -0.076 0.000 0.683 232 A CB 1.976 20.960 19.000 -0.026 0.000 1.281 232 A HN 0.820 nan 8.150 nan 0.000 0.407 233 A N 0.799 123.673 122.820 0.090 0.000 2.549 233 A HA 0.852 5.174 4.320 0.004 0.000 0.297 233 A C -1.052 176.584 177.584 0.088 0.000 1.061 233 A CA -0.289 51.766 52.037 0.030 0.000 0.690 233 A CB 1.731 20.797 19.000 0.111 0.000 1.287 233 A HN 2.031 nan 8.150 nan 0.000 0.402 234 Q N 0.078 119.869 119.800 -0.015 0.000 2.315 234 Q HA 0.666 5.009 4.340 0.004 0.000 0.273 234 Q C -1.864 174.249 176.000 0.188 0.000 1.053 234 Q CA -0.592 55.255 55.803 0.072 0.000 0.817 234 Q CB 1.645 30.385 28.738 0.003 0.000 1.326 234 Q HN 0.948 nan 8.270 nan 0.000 0.423 235 Y N 1.361 121.756 120.300 0.158 0.000 2.326 235 Y HA 0.663 5.216 4.550 0.004 0.000 0.329 235 Y C -1.402 174.585 175.900 0.144 0.000 0.973 235 Y CA -0.383 57.859 58.100 0.237 0.000 1.162 235 Y CB 2.210 40.846 38.460 0.293 0.000 1.147 235 Y HN 0.823 nan 8.280 nan 0.000 0.456 236 T N 6.432 120.710 114.554 -0.460 0.000 2.807 236 T HA 0.286 4.638 4.350 0.004 0.000 0.279 236 T C -1.139 173.218 174.700 -0.571 0.000 0.993 236 T CA -0.642 61.240 62.100 -0.363 0.000 0.970 236 T CB 1.330 70.115 68.868 -0.137 0.000 0.950 236 T HN 0.647 nan 8.240 nan 0.000 0.441 237 Q N 2.542 122.146 119.800 -0.327 0.000 2.348 237 Q HA 0.536 4.879 4.340 0.004 0.000 0.265 237 Q C -0.363 175.599 176.000 -0.064 0.000 0.998 237 Q CA -0.649 55.030 55.803 -0.206 0.000 0.831 237 Q CB 0.811 29.542 28.738 -0.011 0.000 1.251 237 Q HN 0.813 nan 8.270 nan 0.000 0.456 238 T N 0.548 114.974 114.554 -0.213 0.000 2.940 238 T HA 0.601 4.954 4.350 0.004 0.000 0.288 238 T C -0.999 173.462 174.700 -0.397 0.000 1.033 238 T CA -0.481 61.537 62.100 -0.137 0.000 1.033 238 T CB 0.900 69.743 68.868 -0.042 0.000 1.079 238 T HN 0.424 nan 8.240 nan 0.000 0.496 239 Y N 0.851 121.172 120.300 0.034 0.000 2.346 239 Y HA 0.419 4.971 4.550 0.004 0.000 0.332 239 Y C 0.595 176.460 175.900 -0.059 0.000 0.985 239 Y CA -1.154 56.958 58.100 0.020 0.000 1.112 239 Y CB 1.468 39.952 38.460 0.040 0.000 1.170 239 Y HN 0.794 nan 8.280 nan 0.000 0.447 240 N N 0.772 119.527 118.700 0.093 0.000 2.693 240 N HA -0.255 4.487 4.740 0.004 0.000 0.249 240 N C 0.450 175.875 175.510 -0.142 0.000 1.119 240 N CA 1.175 54.218 53.050 -0.012 0.000 0.717 240 N CB -0.888 37.524 38.487 -0.125 0.000 1.071 240 N HN 0.803 nan 8.380 nan 0.000 0.555 241 A N -1.308 121.529 122.820 0.030 0.000 2.026 241 A HA 0.186 4.508 4.320 0.004 0.000 0.198 241 A C 0.878 178.743 177.584 0.468 0.000 1.390 241 A CA 0.635 52.731 52.037 0.099 0.000 0.915 241 A CB 0.307 19.284 19.000 -0.038 0.000 0.974 241 A HN 0.179 nan 8.150 nan 0.000 0.477 242 T N 1.604 116.373 114.554 0.358 0.000 2.794 242 T HA 0.348 4.700 4.350 0.004 0.000 0.296 242 T C 0.178 175.105 174.700 0.378 0.000 0.949 242 T CA -0.218 62.077 62.100 0.325 0.000 1.101 242 T CB 0.694 69.672 68.868 0.183 0.000 0.905 242 T HN 0.429 nan 8.240 nan 0.000 0.516 243 R N 2.541 123.195 120.500 0.257 0.000 2.438 243 R HA 0.332 4.675 4.340 0.004 0.000 0.287 243 R C -0.979 175.301 176.300 -0.033 0.000 1.077 243 R CA -0.274 55.837 56.100 0.018 0.000 1.034 243 R CB 0.349 30.564 30.300 -0.141 0.000 0.993 243 R HN 0.419 nan 8.270 nan 0.000 0.459 244 V N 6.273 126.135 119.914 -0.086 0.000 2.235 244 V HA 0.294 4.417 4.120 0.004 0.000 0.266 244 V C 1.120 177.080 176.094 -0.223 0.000 1.055 244 V CA 0.231 62.497 62.300 -0.057 0.000 0.844 244 V CB -0.015 31.864 31.823 0.093 0.000 1.097 244 V HN 1.198 nan 8.190 nan 0.000 0.453 245 G N 4.461 113.088 108.800 -0.289 0.000 2.634 245 G HA2 -0.360 3.603 3.960 0.004 0.000 0.309 245 G HA3 -0.360 3.603 3.960 0.004 0.000 0.309 245 G C 1.181 175.818 174.900 -0.439 0.000 1.265 245 G CA 0.886 45.774 45.100 -0.352 0.000 0.998 245 G HN 1.201 nan 8.290 nan 0.000 0.551 246 S N 0.036 115.540 115.700 -0.328 0.000 2.524 246 S HA 0.321 4.794 4.470 0.004 0.000 0.216 246 S C 2.384 176.936 174.600 -0.080 0.000 0.987 246 S CA 1.070 59.125 58.200 -0.241 0.000 0.909 246 S CB 0.118 63.226 63.200 -0.154 0.000 0.781 246 S HN 0.606 nan 8.310 nan 0.000 0.521 247 L N 1.170 122.328 121.223 -0.108 0.000 2.131 247 L HA 0.196 4.539 4.340 0.004 0.000 0.210 247 L C 1.789 178.694 176.870 0.058 0.000 1.092 247 L CA 1.051 55.888 54.840 -0.004 0.000 0.759 247 L CB -1.037 41.019 42.059 -0.005 0.000 0.903 247 L HN 0.687 nan 8.230 nan 0.000 0.435 248 G N -2.435 106.380 108.800 0.024 0.000 2.295 248 G HA2 -0.067 3.896 3.960 0.004 0.000 0.155 248 G HA3 -0.067 3.896 3.960 0.004 0.000 0.155 248 G C -1.708 173.104 174.900 -0.147 0.000 1.307 248 G CA -0.669 44.388 45.100 -0.071 0.000 1.140 248 G HN -0.019 nan 8.290 nan 0.000 0.470 249 W N 0.528 121.979 121.300 0.252 0.000 2.762 249 W HA 0.716 5.379 4.660 0.005 0.000 0.355 249 W C 0.205 176.820 176.519 0.160 0.000 1.124 249 W CA -0.283 57.194 57.345 0.221 0.000 1.141 249 W CB 2.046 31.639 29.460 0.223 0.000 1.432 249 W HN 0.932 nan 8.180 nan 0.000 0.586 250 A N 2.036 125.078 122.820 0.369 0.000 2.269 250 A HA 0.197 4.519 4.320 0.004 0.000 0.302 250 A C 0.964 178.659 177.584 0.185 0.000 1.266 250 A CA -0.360 51.812 52.037 0.224 0.000 0.894 250 A CB 0.166 19.256 19.000 0.149 0.000 1.147 250 A HN 0.653 nan 8.150 nan 0.000 0.537 251 N N 1.304 120.103 118.700 0.165 0.000 2.064 251 N HA -0.180 4.562 4.740 0.004 0.000 0.200 251 N C 0.595 176.173 175.510 0.112 0.000 1.028 251 N CA 1.754 54.890 53.050 0.143 0.000 0.880 251 N CB -0.136 38.427 38.487 0.127 0.000 1.062 251 N HN 0.793 nan 8.380 nan 0.000 0.454 252 K N -0.280 120.142 120.400 0.036 0.000 2.422 252 K HA 0.631 4.953 4.320 0.004 0.000 0.251 252 K C -1.810 174.725 176.600 -0.107 0.000 0.933 252 K CA -0.615 55.591 56.287 -0.135 0.000 0.798 252 K CB 2.132 34.572 32.500 -0.101 0.000 1.238 252 K HN 0.085 nan 8.250 nan 0.000 0.428 253 A N 3.166 125.875 122.820 -0.185 0.000 2.486 253 A HA 0.437 4.759 4.320 0.004 0.000 0.300 253 A C -1.674 175.841 177.584 -0.116 0.000 1.048 253 A CA -0.746 51.238 52.037 -0.088 0.000 0.696 253 A CB 1.772 20.758 19.000 -0.023 0.000 1.278 253 A HN 0.704 nan 8.150 nan 0.000 0.405 254 Q N 1.847 121.628 119.800 -0.033 0.000 2.363 254 Q HA 0.353 4.695 4.340 0.004 0.000 0.265 254 Q C -1.189 174.835 176.000 0.040 0.000 1.032 254 Q CA -0.750 55.052 55.803 -0.002 0.000 0.746 254 Q CB 1.620 30.474 28.738 0.192 0.000 1.237 254 Q HN 0.681 nan 8.270 nan 0.000 0.475 255 N N 2.291 120.935 118.700 -0.093 0.000 2.399 255 N HA 0.511 5.254 4.740 0.004 0.000 0.295 255 N C -1.435 174.182 175.510 0.180 0.000 1.048 255 N CA -0.264 52.807 53.050 0.035 0.000 0.886 255 N CB 1.384 39.877 38.487 0.009 0.000 1.185 255 N HN 0.442 nan 8.380 nan 0.000 0.487 256 F N 0.701 120.725 119.950 0.124 0.000 2.574 256 F HA 0.380 4.910 4.527 0.004 0.000 0.313 256 F C -1.033 174.854 175.800 0.146 0.000 1.130 256 F CA -0.640 57.494 58.000 0.224 0.000 0.936 256 F CB 1.539 40.736 39.000 0.329 0.000 1.219 256 F HN 0.355 nan 8.300 nan 0.000 0.445 257 E N 4.640 124.454 120.200 -0.642 0.000 2.256 257 E HA 0.767 5.120 4.350 0.004 0.000 0.268 257 E C -1.510 174.685 176.600 -0.675 0.000 0.877 257 E CA -1.290 54.819 56.400 -0.484 0.000 0.757 257 E CB 2.200 31.791 29.700 -0.182 0.000 1.183 257 E HN 0.705 nan 8.360 nan 0.000 0.418 258 A N 2.040 124.632 122.820 -0.382 0.000 2.449 258 A HA 0.743 5.066 4.320 0.004 0.000 0.302 258 A C -1.067 176.522 177.584 0.008 0.000 1.048 258 A CA -0.636 51.296 52.037 -0.175 0.000 0.708 258 A CB 1.403 20.375 19.000 -0.046 0.000 1.274 258 A HN 0.305 nan 8.150 nan 0.000 0.410 259 V N -0.187 119.760 119.914 0.055 0.000 2.925 259 V HA 0.900 5.023 4.120 0.004 0.000 0.311 259 V C -0.017 176.149 176.094 0.121 0.000 1.104 259 V CA -0.376 61.991 62.300 0.111 0.000 0.954 259 V CB 1.709 33.632 31.823 0.166 0.000 1.022 259 V HN 1.709 nan 8.190 nan 0.000 0.427 260 A N 3.059 125.958 122.820 0.132 0.000 2.381 260 A HA 0.876 5.198 4.320 0.004 0.000 0.299 260 A C -0.898 176.777 177.584 0.152 0.000 1.049 260 A CA -0.524 51.590 52.037 0.128 0.000 0.715 260 A CB 1.739 20.797 19.000 0.095 0.000 1.222 260 A HN 0.827 nan 8.150 nan 0.000 0.428 261 Q N 0.162 120.069 119.800 0.177 0.000 2.421 261 Q HA 0.572 4.915 4.340 0.004 0.000 0.280 261 Q C -2.070 174.029 176.000 0.164 0.000 1.085 261 Q CA -0.668 55.231 55.803 0.161 0.000 0.807 261 Q CB 3.083 31.901 28.738 0.135 0.000 1.405 261 Q HN 0.741 nan 8.270 nan 0.000 0.419 262 Y N 0.930 121.210 120.300 -0.034 0.000 2.386 262 Y HA 0.291 4.844 4.550 0.004 0.000 0.334 262 Y C -1.319 174.454 175.900 -0.211 0.000 1.002 262 Y CA -0.699 57.305 58.100 -0.160 0.000 1.068 262 Y CB 1.988 40.284 38.460 -0.273 0.000 1.203 262 Y HN 0.514 nan 8.280 nan 0.000 0.443 263 Q N 5.533 124.860 119.800 -0.789 0.000 2.390 263 Q HA 0.369 4.711 4.340 0.004 0.000 0.249 263 Q C -1.697 173.854 176.000 -0.749 0.000 0.996 263 Q CA -0.176 55.287 55.803 -0.567 0.000 0.899 263 Q CB 0.040 28.513 28.738 -0.442 0.000 1.216 263 Q HN 0.562 nan 8.270 nan 0.000 0.465 264 F N 1.929 121.656 119.950 -0.372 0.000 2.450 264 F HA 0.047 4.576 4.527 0.004 0.000 0.339 264 F C 1.449 176.990 175.800 -0.433 0.000 1.146 264 F CA 0.248 58.017 58.000 -0.385 0.000 1.267 264 F CB 0.729 39.268 39.000 -0.768 0.000 1.178 264 F HN 0.603 nan 8.300 nan 0.000 0.585 265 D N 1.710 122.084 120.400 -0.043 0.000 2.144 265 D HA -0.206 4.436 4.640 0.004 0.000 0.199 265 D C 1.970 178.282 176.300 0.020 0.000 0.984 265 D CA 1.611 55.608 54.000 -0.006 0.000 0.834 265 D CB -0.255 40.612 40.800 0.111 0.000 0.955 265 D HN 0.541 nan 8.370 nan 0.000 0.465 266 F N -1.004 119.031 119.950 0.142 0.000 2.771 266 F HA 0.312 4.842 4.527 0.004 0.000 0.299 266 F C 1.522 177.360 175.800 0.063 0.000 1.177 266 F CA 0.610 58.680 58.000 0.117 0.000 1.450 266 F CB -0.114 38.972 39.000 0.142 0.000 1.114 266 F HN 0.007 nan 8.300 nan 0.000 0.587 267 G N 0.365 109.003 108.800 -0.271 0.000 2.296 267 G HA2 -0.186 3.776 3.960 0.004 0.000 0.188 267 G HA3 -0.186 3.776 3.960 0.004 0.000 0.188 267 G C -0.353 174.382 174.900 -0.275 0.000 1.000 267 G CA -0.201 44.697 45.100 -0.337 0.000 0.672 267 G HN 0.389 nan 8.290 nan 0.000 0.483 268 L N 1.618 122.716 121.223 -0.208 0.000 2.380 268 L HA 0.770 5.112 4.340 0.004 0.000 0.273 268 L C 0.621 177.597 176.870 0.177 0.000 1.138 268 L CA -0.306 54.593 54.840 0.098 0.000 0.832 268 L CB 0.874 43.032 42.059 0.165 0.000 1.124 268 L HN 0.229 nan 8.230 nan 0.000 0.454 269 R N 5.853 126.473 120.500 0.200 0.000 2.487 269 R HA 0.464 4.807 4.340 0.004 0.000 0.288 269 R C -2.672 173.740 176.300 0.187 0.000 1.394 269 R CA -1.649 54.561 56.100 0.183 0.000 1.155 269 R CB 1.085 31.508 30.300 0.205 0.000 1.156 269 R HN 0.438 nan 8.270 nan 0.000 0.553 270 P HA 0.119 nan 4.420 nan 0.000 0.275 270 P C -1.111 176.288 177.300 0.165 0.000 1.228 270 P CA -0.257 62.970 63.100 0.212 0.000 0.786 270 P CB 1.683 33.542 31.700 0.265 0.000 0.927 271 S N 2.149 117.936 115.700 0.145 0.000 2.547 271 S HA 0.690 5.162 4.470 0.004 0.000 0.281 271 S C -1.646 173.034 174.600 0.133 0.000 1.118 271 S CA -0.596 57.682 58.200 0.129 0.000 0.947 271 S CB 0.246 63.508 63.200 0.103 0.000 1.053 271 S HN 0.298 nan 8.310 nan 0.000 0.482 272 L N 4.620 125.920 121.223 0.128 0.000 2.406 272 L HA 0.935 5.277 4.340 0.004 0.000 0.272 272 L C -0.605 176.340 176.870 0.124 0.000 0.980 272 L CA -0.025 54.889 54.840 0.123 0.000 0.831 272 L CB 1.193 43.319 42.059 0.111 0.000 1.253 272 L HN 0.837 nan 8.230 nan 0.000 0.406 273 A N 4.178 127.074 122.820 0.128 0.000 2.454 273 A HA 0.738 5.061 4.320 0.004 0.000 0.302 273 A C -2.170 175.485 177.584 0.119 0.000 1.079 273 A CA -0.494 51.611 52.037 0.114 0.000 0.731 273 A CB 1.328 20.385 19.000 0.095 0.000 1.299 273 A HN 0.717 nan 8.150 nan 0.000 0.413 274 Y N 1.426 121.696 120.300 -0.050 0.000 2.329 274 Y HA 0.654 5.206 4.550 0.004 0.000 0.328 274 Y C -1.741 174.047 175.900 -0.187 0.000 0.992 274 Y CA -0.709 57.339 58.100 -0.088 0.000 1.151 274 Y CB 1.186 39.661 38.460 0.025 0.000 1.150 274 Y HN 0.578 nan 8.280 nan 0.000 0.450 275 L N 5.555 126.253 121.223 -0.876 0.000 2.342 275 L HA 0.637 4.980 4.340 0.004 0.000 0.271 275 L C -0.842 175.541 176.870 -0.812 0.000 1.008 275 L CA -0.496 53.893 54.840 -0.752 0.000 0.818 275 L CB 2.165 43.730 42.059 -0.824 0.000 1.296 275 L HN 0.704 nan 8.230 nan 0.000 0.427 276 Q N 1.124 120.716 119.800 -0.346 0.000 2.352 276 Q HA 0.573 4.915 4.340 0.004 0.000 0.270 276 Q C -1.810 174.197 176.000 0.011 0.000 1.006 276 Q CA -0.355 55.361 55.803 -0.146 0.000 0.880 276 Q CB 2.166 30.959 28.738 0.092 0.000 1.392 276 Q HN 0.553 nan 8.270 nan 0.000 0.401 277 S N 3.243 118.949 115.700 0.011 0.000 2.756 277 S HA 0.484 4.957 4.470 0.004 0.000 0.303 277 S C -1.539 173.088 174.600 0.045 0.000 1.135 277 S CA -0.606 57.619 58.200 0.042 0.000 1.066 277 S CB 0.677 63.897 63.200 0.032 0.000 1.008 277 S HN 0.483 nan 8.310 nan 0.000 0.482 278 K N 3.183 123.614 120.400 0.052 0.000 2.281 278 K HA 0.406 4.728 4.320 0.004 0.000 0.272 278 K C 0.442 177.044 176.600 0.003 0.000 1.048 278 K CA -0.620 55.683 56.287 0.026 0.000 0.898 278 K CB 1.453 33.981 32.500 0.046 0.000 1.128 278 K HN 0.644 nan 8.250 nan 0.000 0.460 279 G N 3.324 112.107 108.800 -0.029 0.000 2.380 279 G HA2 0.130 4.092 3.960 0.004 0.000 0.262 279 G HA3 0.130 4.092 3.960 0.004 0.000 0.262 279 G C -0.330 174.544 174.900 -0.044 0.000 1.243 279 G CA -0.412 44.669 45.100 -0.032 0.000 0.865 279 G HN 0.321 nan 8.290 nan 0.000 0.513 280 K N 1.773 122.164 120.400 -0.014 0.000 2.270 280 K HA 0.234 4.556 4.320 0.004 0.000 0.255 280 K C 0.223 176.837 176.600 0.023 0.000 0.936 280 K CA -1.102 55.184 56.287 -0.002 0.000 0.809 280 K CB 1.601 34.104 32.500 0.004 0.000 1.131 280 K HN 0.621 nan 8.250 nan 0.000 0.427 281 N N 1.991 120.707 118.700 0.027 0.000 2.688 281 N HA -0.190 4.552 4.740 0.004 0.000 0.258 281 N C 0.100 175.654 175.510 0.074 0.000 1.016 281 N CA 0.201 53.280 53.050 0.048 0.000 0.747 281 N CB -1.045 37.474 38.487 0.053 0.000 0.895 281 N HN 0.628 nan 8.380 nan 0.000 0.543 282 L N -0.489 120.784 121.223 0.084 0.000 2.376 282 L HA 0.123 4.466 4.340 0.004 0.000 0.219 282 L C 1.817 178.790 176.870 0.172 0.000 1.133 282 L CA 0.632 55.555 54.840 0.138 0.000 0.816 282 L CB -0.978 41.173 42.059 0.154 0.000 0.933 282 L HN 0.669 nan 8.230 nan 0.000 0.449 283 G N 0.129 109.010 108.800 0.134 0.000 2.750 283 G HA2 -0.341 3.622 3.960 0.004 0.000 0.228 283 G HA3 -0.341 3.622 3.960 0.004 0.000 0.228 283 G C 0.360 175.333 174.900 0.122 0.000 1.367 283 G CA 0.038 45.202 45.100 0.108 0.000 0.871 283 G HN 0.352 nan 8.290 nan 0.000 0.560 284 R N -1.068 119.466 120.500 0.057 0.000 3.875 284 R HA -0.190 4.152 4.340 0.004 0.000 0.321 284 R C 1.711 177.868 176.300 -0.239 0.000 1.196 284 R CA 2.283 58.378 56.100 -0.010 0.000 0.868 284 R CB -1.594 28.787 30.300 0.134 0.000 1.333 284 R HN 2.892 nan 8.270 nan 0.000 0.522 285 G N -1.925 106.770 108.800 -0.175 0.000 2.199 285 G HA2 -0.394 3.569 3.960 0.004 0.000 0.254 285 G HA3 -0.394 3.569 3.960 0.004 0.000 0.254 285 G C 0.295 175.045 174.900 -0.249 0.000 0.982 285 G CA 0.563 45.518 45.100 -0.243 0.000 0.632 285 G HN 0.387 nan 8.290 nan 0.000 0.529 286 Y N 0.600 120.928 120.300 0.047 0.000 2.365 286 Y HA 0.165 4.717 4.550 0.004 0.000 0.293 286 Y C 2.135 178.001 175.900 -0.056 0.000 1.119 286 Y CA 0.550 58.657 58.100 0.012 0.000 1.203 286 Y CB 0.005 38.495 38.460 0.050 0.000 1.026 286 Y HN 0.325 nan 8.280 nan 0.000 0.549 287 D N -0.652 119.807 120.400 0.099 0.000 4.438 287 D HA -0.258 4.384 4.640 0.004 0.000 0.158 287 D C -0.619 175.676 176.300 -0.009 0.000 0.686 287 D CA 1.798 55.820 54.000 0.036 0.000 1.183 287 D CB -1.218 39.593 40.800 0.018 0.000 0.623 287 D HN 0.204 nan 8.370 nan 0.000 0.521 288 D N 2.351 122.723 120.400 -0.046 0.000 2.440 288 D HA 0.511 5.153 4.640 0.004 0.000 0.239 288 D C -0.432 175.764 176.300 -0.174 0.000 1.084 288 D CA -0.002 53.947 54.000 -0.086 0.000 0.843 288 D CB 1.024 41.798 40.800 -0.045 0.000 1.097 288 D HN 0.066 nan 8.370 nan 0.000 0.531 289 E N 1.182 121.191 120.200 -0.317 0.000 2.293 289 E HA 0.231 4.583 4.350 0.004 0.000 0.270 289 E C -0.924 175.477 176.600 -0.332 0.000 0.879 289 E CA -0.782 55.311 56.400 -0.510 0.000 0.756 289 E CB 2.100 30.956 29.700 -1.407 0.000 1.208 289 E HN 0.211 nan 8.360 nan 0.000 0.428 290 D N 2.695 122.997 120.400 -0.162 0.000 2.382 290 D HA 0.094 4.737 4.640 0.004 0.000 0.259 290 D C 1.261 177.612 176.300 0.084 0.000 1.224 290 D CA 0.186 54.172 54.000 -0.022 0.000 0.894 290 D CB 0.832 41.645 40.800 0.021 0.000 1.127 290 D HN 0.393 nan 8.370 nan 0.000 0.487 291 I N 1.580 122.213 120.570 0.104 0.000 2.480 291 I HA -0.062 4.110 4.170 0.004 0.000 0.251 291 I C 0.720 176.901 176.117 0.107 0.000 1.124 291 I CA 0.587 62.003 61.300 0.193 0.000 1.444 291 I CB 0.122 38.206 38.000 0.139 0.000 1.098 291 I HN 0.200 nan 8.210 nan 0.000 0.428 292 L N 0.283 121.542 121.223 0.059 0.000 2.434 292 L HA 0.522 4.865 4.340 0.004 0.000 0.260 292 L C -1.010 175.853 176.870 -0.012 0.000 0.983 292 L CA -0.394 54.468 54.840 0.036 0.000 0.820 292 L CB 1.813 43.883 42.059 0.018 0.000 1.361 292 L HN -0.061 nan 8.230 nan 0.000 0.410 293 K N 3.860 124.253 120.400 -0.011 0.000 2.636 293 K HA 0.430 4.752 4.320 0.004 0.000 0.286 293 K C -2.278 174.290 176.600 -0.054 0.000 1.100 293 K CA -0.525 55.689 56.287 -0.121 0.000 0.991 293 K CB 0.925 33.405 32.500 -0.033 0.000 1.323 293 K HN 0.637 nan 8.250 nan 0.000 0.478 294 Y N -0.483 119.647 120.300 -0.283 0.000 2.609 294 Y HA 0.647 5.200 4.550 0.004 0.000 0.336 294 Y C -1.665 174.086 175.900 -0.249 0.000 1.129 294 Y CA -1.207 56.757 58.100 -0.227 0.000 1.040 294 Y CB 1.027 39.360 38.460 -0.211 0.000 1.310 294 Y HN -0.039 nan 8.280 nan 0.000 0.460 295 V N 1.954 121.907 119.914 0.065 0.000 2.472 295 V HA 0.384 4.507 4.120 0.004 0.000 0.290 295 V C -1.090 175.091 176.094 0.145 0.000 1.037 295 V CA -0.400 61.947 62.300 0.078 0.000 0.908 295 V CB 1.521 33.403 31.823 0.099 0.000 0.985 295 V HN 0.844 nan 8.190 nan 0.000 0.454 296 D N 2.856 123.353 120.400 0.162 0.000 2.408 296 D HA 0.597 5.240 4.640 0.004 0.000 0.243 296 D C -1.097 175.289 176.300 0.143 0.000 1.075 296 D CA -0.157 53.956 54.000 0.188 0.000 0.832 296 D CB 1.779 42.764 40.800 0.308 0.000 1.162 296 D HN 0.297 nan 8.370 nan 0.000 0.515 297 V N 3.080 123.071 119.914 0.128 0.000 2.495 297 V HA 0.976 5.099 4.120 0.004 0.000 0.298 297 V C 0.753 176.976 176.094 0.215 0.000 1.031 297 V CA -0.344 62.048 62.300 0.154 0.000 0.871 297 V CB 1.368 33.268 31.823 0.129 0.000 0.988 297 V HN 0.722 nan 8.190 nan 0.000 0.432 298 G N 2.462 111.375 108.800 0.189 0.000 2.548 298 G HA2 0.883 4.845 3.960 0.004 0.000 0.301 298 G HA3 0.883 4.845 3.960 0.004 0.000 0.301 298 G C -1.585 173.411 174.900 0.161 0.000 1.349 298 G CA -0.058 45.156 45.100 0.190 0.000 0.792 298 G HN 1.312 nan 8.290 nan 0.000 0.481 299 A N -0.611 122.302 122.820 0.154 0.000 2.532 299 A HA 0.781 5.104 4.320 0.004 0.000 0.296 299 A C -0.659 177.001 177.584 0.127 0.000 1.058 299 A CA -0.334 51.788 52.037 0.142 0.000 0.729 299 A CB 1.389 20.482 19.000 0.155 0.000 1.285 299 A HN 1.108 nan 8.150 nan 0.000 0.396 300 T N 1.671 116.259 114.554 0.056 0.000 2.797 300 T HA 0.533 4.886 4.350 0.004 0.000 0.279 300 T C -1.150 173.471 174.700 -0.131 0.000 0.991 300 T CA -0.057 62.000 62.100 -0.073 0.000 0.979 300 T CB 0.917 69.592 68.868 -0.322 0.000 0.943 300 T HN 0.567 nan 8.240 nan 0.000 0.444 301 Y N 3.083 123.206 120.300 -0.294 0.000 2.342 301 Y HA 0.466 5.019 4.550 0.004 0.000 0.338 301 Y C -1.321 174.274 175.900 -0.508 0.000 0.965 301 Y CA -1.392 56.514 58.100 -0.324 0.000 1.159 301 Y CB 0.456 38.725 38.460 -0.319 0.000 1.157 301 Y HN 0.608 nan 8.280 nan 0.000 0.486 302 Y N 7.299 127.156 120.300 -0.740 0.000 2.425 302 Y HA 0.160 4.713 4.550 0.005 0.000 0.347 302 Y C 0.418 175.918 175.900 -0.666 0.000 0.976 302 Y CA -0.369 57.426 58.100 -0.508 0.000 1.190 302 Y CB 0.130 38.410 38.460 -0.300 0.000 1.136 302 Y HN 0.680 nan 8.280 nan 0.000 0.517 303 F N 1.195 121.114 119.950 -0.052 0.000 2.102 303 F HA -0.193 4.336 4.527 0.004 0.000 0.298 303 F C 0.907 176.738 175.800 0.052 0.000 1.105 303 F CA 1.181 59.224 58.000 0.071 0.000 1.239 303 F CB -0.215 38.888 39.000 0.173 0.000 0.991 303 F HN 0.569 nan 8.300 nan 0.000 0.474 304 N N -2.199 116.655 118.700 0.255 0.000 3.449 304 N HA 0.074 4.816 4.740 0.004 0.000 0.312 304 N C 0.166 175.748 175.510 0.120 0.000 1.557 304 N CA -0.706 52.428 53.050 0.141 0.000 0.864 304 N CB 0.400 38.966 38.487 0.132 0.000 1.799 304 N HN -0.153 nan 8.380 nan 0.000 0.554 305 K N -0.527 119.904 120.400 0.052 0.000 2.211 305 K HA 0.044 4.366 4.320 0.004 0.000 0.204 305 K C 0.290 176.909 176.600 0.032 0.000 1.047 305 K CA 1.730 58.027 56.287 0.017 0.000 0.935 305 K CB -0.329 32.162 32.500 -0.015 0.000 0.728 305 K HN 0.534 nan 8.250 nan 0.000 0.452 306 N N -0.981 117.749 118.700 0.051 0.000 2.282 306 N HA 0.089 4.831 4.740 0.004 0.000 0.185 306 N C -0.515 174.999 175.510 0.006 0.000 1.099 306 N CA -0.068 52.965 53.050 -0.027 0.000 0.878 306 N CB 0.551 39.046 38.487 0.013 0.000 0.993 306 N HN 0.012 nan 8.380 nan 0.000 0.481 307 M N 0.389 120.090 119.600 0.168 0.000 2.421 307 M HA 0.384 4.866 4.480 0.004 0.000 0.287 307 M C -1.700 174.850 176.300 0.416 0.000 1.183 307 M CA -0.461 55.009 55.300 0.283 0.000 0.916 307 M CB 1.956 34.729 32.600 0.289 0.000 1.701 307 M HN 0.018 nan 8.290 nan 0.000 0.470 308 S N 1.197 117.132 115.700 0.392 0.000 2.615 308 S HA 0.904 5.376 4.470 0.004 0.000 0.269 308 S C -1.081 173.682 174.600 0.272 0.000 1.161 308 S CA -0.715 57.634 58.200 0.247 0.000 0.817 308 S CB 1.959 65.091 63.200 -0.114 0.000 1.131 308 S HN 0.864 nan 8.310 nan 0.000 0.467 309 T N 0.669 115.301 114.554 0.129 0.000 2.900 309 T HA 0.777 5.129 4.350 0.004 0.000 0.303 309 T C -2.138 172.591 174.700 0.048 0.000 1.142 309 T CA -0.558 61.586 62.100 0.073 0.000 1.007 309 T CB 1.200 70.171 68.868 0.172 0.000 1.156 309 T HN 1.314 nan 8.240 nan 0.000 0.490 310 Y N 0.423 120.727 120.300 0.006 0.000 2.581 310 Y HA 0.811 5.363 4.550 0.004 0.000 0.337 310 Y C -1.694 174.226 175.900 0.033 0.000 1.108 310 Y CA -1.351 56.743 58.100 -0.009 0.000 1.033 310 Y CB 0.797 39.225 38.460 -0.054 0.000 1.318 310 Y HN 0.495 nan 8.280 nan 0.000 0.459 311 V N 2.153 122.229 119.914 0.271 0.000 2.628 311 V HA 0.666 4.789 4.120 0.004 0.000 0.306 311 V C -1.666 174.601 176.094 0.288 0.000 1.045 311 V CA -0.259 62.182 62.300 0.235 0.000 0.905 311 V CB 1.728 33.633 31.823 0.137 0.000 0.997 311 V HN 0.909 nan 8.190 nan 0.000 0.436 312 D N 4.147 124.725 120.400 0.296 0.000 2.863 312 D HA 0.294 4.937 4.640 0.004 0.000 0.245 312 D C -1.963 174.624 176.300 0.478 0.000 1.211 312 D CA -0.187 54.001 54.000 0.314 0.000 0.888 312 D CB 1.629 42.517 40.800 0.146 0.000 1.483 312 D HN 0.453 nan 8.370 nan 0.000 0.533 313 Y N 3.564 124.018 120.300 0.257 0.000 2.464 313 Y HA 0.319 4.871 4.550 0.004 0.000 0.326 313 Y C -0.544 175.394 175.900 0.063 0.000 0.969 313 Y CA -1.172 57.025 58.100 0.161 0.000 1.270 313 Y CB 0.782 39.306 38.460 0.106 0.000 1.103 313 Y HN 0.251 nan 8.280 nan 0.000 0.491 314 K N 8.017 128.424 120.400 0.012 0.000 2.262 314 K HA 0.312 4.635 4.320 0.004 0.000 0.288 314 K C -0.736 175.640 176.600 -0.373 0.000 1.090 314 K CA -0.191 55.832 56.287 -0.439 0.000 0.918 314 K CB -0.126 31.640 32.500 -1.224 0.000 1.139 314 K HN 0.722 nan 8.250 nan 0.000 0.462 315 I N 4.264 124.590 120.570 -0.407 0.000 2.329 315 I HA 0.002 4.174 4.170 0.004 0.000 0.295 315 I C 0.424 176.460 176.117 -0.136 0.000 1.109 315 I CA -0.443 60.630 61.300 -0.378 0.000 1.297 315 I CB 0.212 37.957 38.000 -0.426 0.000 1.433 315 I HN 0.453 nan 8.210 nan 0.000 0.509 316 N N 6.761 125.391 118.700 -0.116 0.000 2.430 316 N HA 0.192 4.934 4.740 0.004 0.000 0.265 316 N C 0.489 175.997 175.510 -0.003 0.000 1.100 316 N CA 0.056 53.075 53.050 -0.051 0.000 0.961 316 N CB 1.295 39.727 38.487 -0.092 0.000 1.075 316 N HN 0.574 nan 8.380 nan 0.000 0.478 317 L N 3.045 124.287 121.223 0.032 0.000 2.585 317 L HA 0.217 4.560 4.340 0.004 0.000 0.226 317 L C 0.662 177.554 176.870 0.037 0.000 1.113 317 L CA -0.016 54.846 54.840 0.036 0.000 0.876 317 L CB 0.036 42.128 42.059 0.055 0.000 1.072 317 L HN 0.356 nan 8.230 nan 0.000 0.468 318 L N 0.586 121.829 121.223 0.034 0.000 2.456 318 L HA 0.035 4.377 4.340 0.004 0.000 0.272 318 L C -0.084 176.807 176.870 0.035 0.000 1.189 318 L CA -0.007 54.857 54.840 0.040 0.000 0.846 318 L CB 0.233 42.317 42.059 0.042 0.000 1.111 318 L HN 0.023 nan 8.230 nan 0.000 0.475 319 D N 1.149 121.575 120.400 0.044 0.000 2.256 319 D HA 0.060 4.702 4.640 0.004 0.000 0.250 319 D C -0.363 175.963 176.300 0.043 0.000 1.093 319 D CA -0.295 53.730 54.000 0.041 0.000 0.882 319 D CB 1.256 42.083 40.800 0.044 0.000 1.185 319 D HN 0.369 nan 8.370 nan 0.000 0.437 320 D N 1.644 122.062 120.400 0.030 0.000 2.363 320 D HA 0.043 4.685 4.640 0.004 0.000 0.263 320 D C -0.254 176.070 176.300 0.040 0.000 1.258 320 D CA 0.032 54.047 54.000 0.025 0.000 0.907 320 D CB -0.016 40.793 40.800 0.016 0.000 1.107 320 D HN 0.364 nan 8.370 nan 0.000 0.495 321 N N 1.883 120.616 118.700 0.054 0.000 3.316 321 N HA 0.190 4.933 4.740 0.004 0.000 0.300 321 N C 0.654 176.219 175.510 0.091 0.000 1.567 321 N CA -0.828 52.269 53.050 0.078 0.000 0.821 321 N CB 0.657 39.206 38.487 0.103 0.000 1.748 321 N HN 0.178 nan 8.380 nan 0.000 0.603 322 R N -0.806 119.774 120.500 0.134 0.000 2.083 322 R HA -0.109 4.234 4.340 0.004 0.000 0.237 322 R C 1.702 178.113 176.300 0.186 0.000 1.137 322 R CA 1.535 57.736 56.100 0.168 0.000 0.951 322 R CB -0.579 29.855 30.300 0.223 0.000 0.851 322 R HN 0.569 nan 8.270 nan 0.000 0.434 323 F N 1.593 121.564 119.950 0.035 0.000 2.102 323 F HA -0.216 4.313 4.527 0.004 0.000 0.298 323 F C 2.413 178.075 175.800 -0.229 0.000 1.105 323 F CA 2.308 60.137 58.000 -0.285 0.000 1.239 323 F CB -0.706 38.077 39.000 -0.362 0.000 0.991 323 F HN 0.131 nan 8.300 nan 0.000 0.474 324 T N -1.431 113.011 114.554 -0.186 0.000 2.867 324 T HA -0.123 4.230 4.350 0.004 0.000 0.268 324 T C 2.110 176.662 174.700 -0.246 0.000 1.057 324 T CA 1.214 63.149 62.100 -0.276 0.000 1.136 324 T CB -0.547 68.290 68.868 -0.052 0.000 0.874 324 T HN 0.337 nan 8.240 nan 0.000 0.466 325 R N 1.085 121.501 120.500 -0.140 0.000 2.062 325 R HA -0.019 4.323 4.340 0.004 0.000 0.229 325 R C 2.313 178.536 176.300 -0.128 0.000 1.128 325 R CA 1.578 57.617 56.100 -0.101 0.000 0.960 325 R CB -0.367 29.911 30.300 -0.036 0.000 0.855 325 R HN 0.399 nan 8.270 nan 0.000 0.432 326 D N 0.726 121.048 120.400 -0.130 0.000 2.123 326 D HA -0.132 4.510 4.640 0.004 0.000 0.196 326 D C 1.688 177.859 176.300 -0.215 0.000 0.992 326 D CA 1.580 55.514 54.000 -0.110 0.000 0.833 326 D CB -0.184 40.621 40.800 0.008 0.000 0.954 326 D HN 0.243 nan 8.370 nan 0.000 0.455 327 A N -0.277 122.289 122.820 -0.423 0.000 2.067 327 A HA 0.315 4.638 4.320 0.004 0.000 0.217 327 A C 1.785 179.174 177.584 -0.325 0.000 1.156 327 A CA 1.378 53.138 52.037 -0.462 0.000 0.683 327 A CB -0.328 18.183 19.000 -0.816 0.000 0.808 327 A HN 0.300 nan 8.150 nan 0.000 0.455 328 G N -0.820 107.819 108.800 -0.268 0.000 2.182 328 G HA2 -0.205 3.757 3.960 0.004 0.000 0.248 328 G HA3 -0.205 3.757 3.960 0.004 0.000 0.248 328 G C -0.030 174.754 174.900 -0.193 0.000 1.042 328 G CA 0.231 45.215 45.100 -0.193 0.000 0.775 328 G HN 0.476 nan 8.290 nan 0.000 0.501 329 I N 0.501 120.938 120.570 -0.222 0.000 2.371 329 I HA 0.159 4.331 4.170 0.004 0.000 0.290 329 I C 0.789 176.834 176.117 -0.120 0.000 1.028 329 I CA -0.864 60.330 61.300 -0.177 0.000 1.345 329 I CB 1.004 38.889 38.000 -0.191 0.000 1.407 329 I HN 0.224 nan 8.210 nan 0.000 0.501 330 N N 3.778 122.417 118.700 -0.101 0.000 2.454 330 N HA -0.028 4.714 4.740 0.004 0.000 0.260 330 N C 0.711 176.178 175.510 -0.071 0.000 1.218 330 N CA 0.359 53.359 53.050 -0.083 0.000 0.904 330 N CB 0.714 39.148 38.487 -0.089 0.000 1.065 330 N HN 0.726 nan 8.380 nan 0.000 0.462 331 T N -1.093 113.429 114.554 -0.054 0.000 3.084 331 T HA 0.224 4.577 4.350 0.004 0.000 0.270 331 T C -0.186 174.491 174.700 -0.038 0.000 1.008 331 T CA -0.462 61.616 62.100 -0.037 0.000 0.900 331 T CB -0.053 68.807 68.868 -0.013 0.000 1.084 331 T HN 0.320 nan 8.240 nan 0.000 0.538 332 D N 2.250 122.621 120.400 -0.048 0.000 2.294 332 D HA 0.335 4.977 4.640 0.004 0.000 0.250 332 D C -0.457 175.804 176.300 -0.065 0.000 1.058 332 D CA -0.310 53.670 54.000 -0.034 0.000 0.950 332 D CB 1.308 42.100 40.800 -0.014 0.000 1.158 332 D HN 0.258 nan 8.370 nan 0.000 0.453 333 D N 0.402 120.790 120.400 -0.019 0.000 2.382 333 D HA 0.279 4.921 4.640 0.004 0.000 0.240 333 D C 0.072 176.357 176.300 -0.025 0.000 1.146 333 D CA 0.301 54.299 54.000 -0.003 0.000 0.897 333 D CB 0.863 41.773 40.800 0.184 0.000 1.197 333 D HN 0.202 nan 8.370 nan 0.000 0.432 334 I N 0.592 121.102 120.570 -0.099 0.000 2.569 334 I HA 0.232 4.405 4.170 0.004 0.000 0.290 334 I C -0.715 175.457 176.117 0.092 0.000 1.088 334 I CA -1.048 60.204 61.300 -0.080 0.000 1.047 334 I CB 2.095 39.907 38.000 -0.312 0.000 1.237 334 I HN -0.107 nan 8.210 nan 0.000 0.421 335 V N 4.645 124.669 119.914 0.184 0.000 2.398 335 V HA 0.690 4.812 4.120 0.004 0.000 0.286 335 V C 0.317 176.589 176.094 0.296 0.000 1.026 335 V CA -0.467 61.975 62.300 0.235 0.000 0.868 335 V CB 1.555 33.402 31.823 0.039 0.000 0.982 335 V HN 0.841 nan 8.190 nan 0.000 0.443 336 A N 5.320 128.298 122.820 0.264 0.000 2.304 336 A HA 0.857 5.179 4.320 0.004 0.000 0.323 336 A C -1.089 176.626 177.584 0.219 0.000 1.195 336 A CA -0.481 51.639 52.037 0.138 0.000 0.826 336 A CB 1.071 19.963 19.000 -0.179 0.000 1.184 336 A HN 0.752 nan 8.150 nan 0.000 0.496 337 L N 2.664 124.023 121.223 0.227 0.000 2.343 337 L HA 0.779 5.121 4.340 0.004 0.000 0.278 337 L C 0.165 176.986 176.870 -0.082 0.000 0.996 337 L CA 0.159 55.061 54.840 0.103 0.000 0.831 337 L CB 1.656 43.866 42.059 0.252 0.000 1.232 337 L HN 0.801 nan 8.230 nan 0.000 0.413 338 G N 4.259 112.769 108.800 -0.484 0.000 2.591 338 G HA2 0.607 4.569 3.960 0.004 0.000 0.306 338 G HA3 0.607 4.569 3.960 0.004 0.000 0.306 338 G C -2.285 172.314 174.900 -0.502 0.000 1.334 338 G CA -0.526 44.182 45.100 -0.653 0.000 0.981 338 G HN 0.507 nan 8.290 nan 0.000 0.491 339 L N 2.046 123.133 121.223 -0.225 0.000 2.356 339 L HA 0.766 5.108 4.340 0.004 0.000 0.277 339 L C -0.880 175.980 176.870 -0.018 0.000 0.996 339 L CA -0.807 53.989 54.840 -0.073 0.000 0.822 339 L CB 2.132 44.182 42.059 -0.014 0.000 1.256 339 L HN 0.316 nan 8.230 nan 0.000 0.413 340 V N 5.373 125.327 119.914 0.066 0.000 2.525 340 V HA 0.356 4.478 4.120 0.004 0.000 0.299 340 V C -1.192 175.000 176.094 0.163 0.000 1.034 340 V CA -0.702 61.654 62.300 0.094 0.000 0.863 340 V CB 1.406 33.303 31.823 0.123 0.000 0.999 340 V HN 0.649 nan 8.190 nan 0.000 0.423 341 Y N 5.369 125.700 120.300 0.052 0.000 2.360 341 Y HA 0.717 5.269 4.550 0.004 0.000 0.337 341 Y C 0.005 175.973 175.900 0.113 0.000 1.039 341 Y CA -0.324 57.830 58.100 0.090 0.000 1.109 341 Y CB 1.514 40.021 38.460 0.079 0.000 1.201 341 Y HN 0.758 nan 8.280 nan 0.000 0.458 342 Q N 5.749 125.128 119.800 -0.703 0.000 2.456 342 Q HA 0.631 4.974 4.340 0.004 0.000 0.284 342 Q C -1.901 173.796 176.000 -0.505 0.000 1.061 342 Q CA -0.924 54.595 55.803 -0.473 0.000 0.799 342 Q CB 2.841 31.445 28.738 -0.223 0.000 1.445 342 Q HN 0.658 nan 8.270 nan 0.000 0.411 343 F N 0.000 119.789 119.950 -0.268 0.000 2.286 343 F HA 0.000 4.529 4.527 0.004 0.000 0.279 343 F CA 0.000 57.934 58.000 -0.111 0.000 1.383 343 F CB 0.000 39.005 39.000 0.008 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574