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 1tog_1_B DATA FIRST_RESID 5 DATA SEQUENCE MFENITATTA DPILGLADLF RADERPGKID LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSXNFALYN ERVGACTLVA ADSETVDRAF GQMKAAIRDN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.304 176.300 0.007 0.000 1.140 5 M CA 0.000 55.176 55.300 -0.207 0.000 0.988 5 M CB 0.000 32.395 32.600 -0.341 0.000 1.302 6 F N 0.482 120.431 119.950 -0.003 0.000 2.721 6 F HA 0.369 4.896 4.527 -0.000 0.000 0.301 6 F C 1.502 177.299 175.800 -0.004 0.000 1.096 6 F CA 0.350 58.348 58.000 -0.004 0.000 1.308 6 F CB -0.566 38.432 39.000 -0.004 0.000 1.086 6 F HN 0.116 nan 8.300 nan 0.000 0.587 7 E N 0.483 120.771 120.200 0.146 0.000 2.153 7 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 7 E C 0.816 177.456 176.600 0.067 0.000 0.988 7 E CA 1.404 57.855 56.400 0.085 0.000 0.811 7 E CB -0.606 29.119 29.700 0.041 0.000 0.746 7 E HN 0.418 nan 8.360 nan 0.000 0.466 8 N N -0.252 118.489 118.700 0.068 0.000 2.204 8 N HA 0.219 4.959 4.740 -0.000 0.000 0.219 8 N C -0.587 174.951 175.510 0.047 0.000 1.151 8 N CA -0.251 52.827 53.050 0.046 0.000 0.867 8 N CB 0.517 39.024 38.487 0.033 0.000 1.043 8 N HN 0.040 nan 8.380 nan 0.000 0.516 9 I N 1.537 122.146 120.570 0.065 0.000 2.742 9 I HA -0.103 4.067 4.170 -0.000 0.000 0.287 9 I C 1.047 177.174 176.117 0.016 0.000 1.186 9 I CA 0.476 61.800 61.300 0.039 0.000 1.417 9 I CB 0.444 38.460 38.000 0.027 0.000 1.377 9 I HN 0.089 nan 8.210 nan 0.000 0.556 10 T N 6.038 120.597 114.554 0.007 0.000 2.897 10 T HA 0.550 4.900 4.350 -0.000 0.000 0.294 10 T C 0.270 174.964 174.700 -0.010 0.000 1.004 10 T CA -0.818 61.282 62.100 -0.000 0.000 1.106 10 T CB 0.809 69.676 68.868 -0.000 0.000 0.949 10 T HN 0.659 nan 8.240 nan 0.000 0.520 11 A N 4.277 127.090 122.820 -0.011 0.000 2.425 11 A HA 0.519 4.839 4.320 -0.000 0.000 0.242 11 A C 0.842 178.414 177.584 -0.020 0.000 1.077 11 A CA -0.366 51.660 52.037 -0.018 0.000 0.781 11 A CB -0.206 18.786 19.000 -0.015 0.000 1.020 11 A HN 0.963 nan 8.150 nan 0.000 0.494 12 T N 1.300 115.839 114.554 -0.026 0.000 2.928 12 T HA 0.459 4.808 4.350 -0.000 0.000 0.284 12 T C 0.329 175.013 174.700 -0.028 0.000 1.008 12 T CA -0.261 61.822 62.100 -0.029 0.000 1.057 12 T CB 0.778 69.624 68.868 -0.038 0.000 1.018 12 T HN 0.697 nan 8.240 nan 0.000 0.493 13 T N 2.437 116.974 114.554 -0.029 0.000 2.822 13 T HA 0.325 4.675 4.350 -0.000 0.000 0.288 13 T C 0.776 175.455 174.700 -0.035 0.000 0.991 13 T CA -0.651 61.431 62.100 -0.030 0.000 1.176 13 T CB -0.095 68.752 68.868 -0.034 0.000 0.951 13 T HN 0.829 nan 8.240 nan 0.000 0.526 14 A N 3.439 126.242 122.820 -0.028 0.000 2.561 14 A HA 0.085 4.405 4.320 -0.000 0.000 0.234 14 A C 0.756 178.313 177.584 -0.044 0.000 1.055 14 A CA -0.412 51.608 52.037 -0.029 0.000 0.756 14 A CB 0.109 19.101 19.000 -0.013 0.000 0.986 14 A HN 0.903 nan 8.150 nan 0.000 0.505 15 D N 3.047 123.413 120.400 -0.056 0.000 2.425 15 D HA 0.091 4.730 4.640 -0.000 0.000 0.247 15 D C -1.280 174.978 176.300 -0.070 0.000 1.147 15 D CA -1.188 52.762 54.000 -0.083 0.000 0.879 15 D CB 0.981 41.719 40.800 -0.104 0.000 1.179 15 D HN 0.257 nan 8.370 nan 0.000 0.456 16 P HA -0.066 nan 4.420 nan 0.000 0.225 16 P C 1.179 178.448 177.300 -0.051 0.000 1.148 16 P CA 0.961 64.024 63.100 -0.061 0.000 0.779 16 P CB 0.506 32.159 31.700 -0.079 0.000 0.780 17 I N -2.264 118.259 120.570 -0.078 0.000 3.518 17 I HA -0.008 4.162 4.170 -0.000 0.000 0.260 17 I C 1.980 178.078 176.117 -0.032 0.000 1.148 17 I CA -0.028 61.240 61.300 -0.053 0.000 1.440 17 I CB -0.535 37.415 38.000 -0.084 0.000 1.485 17 I HN -0.260 nan 8.210 nan 0.000 0.456 18 L N 1.347 122.537 121.223 -0.056 0.000 2.042 18 L HA -0.103 4.236 4.340 -0.000 0.000 0.210 18 L C 2.536 179.394 176.870 -0.021 0.000 1.076 18 L CA 2.223 57.040 54.840 -0.038 0.000 0.749 18 L CB -2.105 39.920 42.059 -0.057 0.000 0.893 18 L HN 0.321 nan 8.230 nan 0.000 0.432 19 G N -1.288 107.500 108.800 -0.020 0.000 2.586 19 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 19 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 19 G C 1.631 176.550 174.900 0.032 0.000 1.128 19 G CA 0.205 45.305 45.100 0.001 0.000 0.774 19 G HN 0.276 nan 8.290 nan 0.000 0.543 20 L N 0.694 121.941 121.223 0.040 0.000 2.240 20 L HA 0.293 4.633 4.340 -0.000 0.000 0.211 20 L C 3.005 179.910 176.870 0.059 0.000 1.106 20 L CA 1.348 56.241 54.840 0.088 0.000 0.793 20 L CB -0.491 41.619 42.059 0.086 0.000 0.927 20 L HN 0.226 nan 8.230 nan 0.000 0.446 21 A N -0.909 121.923 122.820 0.020 0.000 1.902 21 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 21 A C 1.987 179.597 177.584 0.044 0.000 1.181 21 A CA 1.851 53.897 52.037 0.016 0.000 0.623 21 A CB -0.531 18.465 19.000 -0.007 0.000 0.818 21 A HN 0.396 nan 8.150 nan 0.000 0.443 22 D N -0.024 120.391 120.400 0.026 0.000 2.117 22 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 22 D C 1.980 178.288 176.300 0.012 0.000 0.982 22 D CA 0.862 54.871 54.000 0.015 0.000 0.828 22 D CB -0.302 40.504 40.800 0.009 0.000 0.967 22 D HN 0.431 nan 8.370 nan 0.000 0.464 23 L N -0.241 121.010 121.223 0.046 0.000 2.046 23 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 23 L C 2.351 179.187 176.870 -0.057 0.000 1.077 23 L CA 0.778 55.668 54.840 0.084 0.000 0.747 23 L CB -0.399 41.797 42.059 0.229 0.000 0.896 23 L HN -0.014 nan 8.230 nan 0.000 0.432 24 F N 0.877 120.577 119.950 -0.416 0.000 2.069 24 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 24 F C 2.786 178.372 175.800 -0.357 0.000 1.113 24 F CA 1.570 59.112 58.000 -0.763 0.000 1.214 24 F CB -0.222 38.368 39.000 -0.683 0.000 0.978 24 F HN -0.143 nan 8.300 nan 0.000 0.474 25 R N 0.046 120.463 120.500 -0.138 0.000 2.105 25 R HA -0.164 4.176 4.340 -0.000 0.000 0.239 25 R C 2.275 178.454 176.300 -0.201 0.000 1.135 25 R CA 1.290 57.291 56.100 -0.164 0.000 0.967 25 R CB -0.872 29.414 30.300 -0.023 0.000 0.861 25 R HN 0.415 nan 8.270 nan 0.000 0.442 26 A N 0.913 123.647 122.820 -0.144 0.000 2.119 26 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 26 A C 0.591 178.105 177.584 -0.116 0.000 1.153 26 A CA 0.221 52.198 52.037 -0.100 0.000 0.692 26 A CB -0.125 18.848 19.000 -0.045 0.000 0.799 26 A HN 0.133 nan 8.150 nan 0.000 0.458 27 D N 0.436 120.725 120.400 -0.185 0.000 2.390 27 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 27 D C 0.570 176.773 176.300 -0.162 0.000 1.144 27 D CA 0.025 53.946 54.000 -0.133 0.000 0.880 27 D CB 0.708 41.456 40.800 -0.087 0.000 1.182 27 D HN 0.325 nan 8.370 nan 0.000 0.451 28 E N 2.719 122.866 120.200 -0.089 0.000 2.472 28 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 28 E C 0.625 177.186 176.600 -0.064 0.000 1.033 28 E CA -0.248 56.104 56.400 -0.079 0.000 0.886 28 E CB 0.355 30.024 29.700 -0.052 0.000 0.944 28 E HN 0.393 nan 8.360 nan 0.000 0.492 29 R N 3.048 123.517 120.500 -0.051 0.000 2.483 29 R HA 0.029 4.369 4.340 -0.000 0.000 0.329 29 R C -2.351 173.929 176.300 -0.034 0.000 0.961 29 R CA -1.077 55.006 56.100 -0.028 0.000 1.041 29 R CB 0.085 30.387 30.300 0.003 0.000 0.930 29 R HN -0.224 nan 8.270 nan 0.000 0.413 30 P HA 0.085 nan 4.420 nan 0.000 0.268 30 P C 0.178 177.487 177.300 0.015 0.000 1.204 30 P CA 0.608 63.701 63.100 -0.012 0.000 0.768 30 P CB 1.100 32.796 31.700 -0.006 0.000 0.842 31 G N 1.647 110.463 108.800 0.026 0.000 2.157 31 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 31 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 31 G C 0.060 175.019 174.900 0.099 0.000 0.979 31 G CA 0.074 45.210 45.100 0.060 0.000 0.650 31 G HN 0.733 nan 8.290 nan 0.000 0.529 32 K N 0.140 120.588 120.400 0.081 0.000 2.469 32 K HA 0.509 4.829 4.320 -0.000 0.000 0.274 32 K C 0.000 176.806 176.600 0.343 0.000 0.983 32 K CA 0.101 56.489 56.287 0.168 0.000 0.974 32 K CB 0.868 33.342 32.500 -0.044 0.000 0.913 32 K HN 0.306 nan 8.250 nan 0.000 0.493 33 I N 1.565 122.413 120.570 0.462 0.000 2.466 33 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 33 I C -1.067 175.197 176.117 0.244 0.000 1.026 33 I CA -1.019 60.473 61.300 0.319 0.000 1.078 33 I CB 1.976 40.070 38.000 0.157 0.000 1.249 33 I HN 0.703 nan 8.210 nan 0.000 0.429 34 D N 7.453 127.734 120.400 -0.199 0.000 2.412 34 D HA 0.361 5.000 4.640 -0.000 0.000 0.224 34 D C -0.170 175.981 176.300 -0.248 0.000 1.093 34 D CA -0.109 53.558 54.000 -0.555 0.000 0.850 34 D CB 0.985 40.964 40.800 -1.369 0.000 1.046 34 D HN 0.439 nan 8.370 nan 0.000 0.507 35 L N 3.284 124.453 121.223 -0.089 0.000 3.141 35 L HA 0.412 4.752 4.340 -0.000 0.000 0.267 35 L C 1.472 178.347 176.870 0.008 0.000 1.281 35 L CA -0.559 54.248 54.840 -0.055 0.000 1.037 35 L CB 0.926 42.958 42.059 -0.045 0.000 1.407 35 L HN 0.410 nan 8.230 nan 0.000 0.566 36 G N 0.648 109.435 108.800 -0.021 0.000 2.568 36 G HA2 0.238 4.198 3.960 -0.000 0.000 0.212 36 G HA3 0.238 4.198 3.960 -0.000 0.000 0.212 36 G C 0.549 175.489 174.900 0.067 0.000 1.821 36 G CA -0.432 44.685 45.100 0.029 0.000 0.904 36 G HN 0.082 nan 8.290 nan 0.000 0.566 37 I N 2.215 122.801 120.570 0.028 0.000 2.815 37 I HA 0.168 4.338 4.170 -0.000 0.000 0.291 37 I C 1.264 177.456 176.117 0.126 0.000 1.209 37 I CA 0.256 61.599 61.300 0.072 0.000 1.431 37 I CB 0.724 38.723 38.000 -0.001 0.000 1.351 37 I HN 0.237 nan 8.210 nan 0.000 0.585 38 G N 6.524 115.496 108.800 0.287 0.000 2.865 38 G HA2 0.420 4.380 3.960 -0.000 0.000 0.292 38 G HA3 0.420 4.380 3.960 -0.000 0.000 0.292 38 G C -0.351 174.583 174.900 0.056 0.000 0.800 38 G CA -0.190 45.084 45.100 0.291 0.000 1.838 38 G HN 0.343 nan 8.290 nan 0.000 0.535 39 V N 2.634 122.485 119.914 -0.104 0.000 2.459 39 V HA 0.259 4.379 4.120 -0.000 0.000 0.295 39 V C -0.257 175.787 176.094 -0.084 0.000 1.029 39 V CA -1.280 60.855 62.300 -0.275 0.000 0.874 39 V CB 1.479 32.973 31.823 -0.548 0.000 0.985 39 V HN 0.619 nan 8.190 nan 0.000 0.438 40 Y N 5.121 125.428 120.300 0.011 0.000 2.610 40 Y HA 0.252 4.801 4.550 -0.000 0.000 0.332 40 Y C 0.367 176.281 175.900 0.023 0.000 1.201 40 Y CA 0.407 58.536 58.100 0.048 0.000 1.465 40 Y CB 0.332 38.903 38.460 0.185 0.000 1.283 40 Y HN 0.566 nan 8.280 nan 0.000 0.563 41 K N 4.906 124.794 120.400 -0.855 0.000 2.259 41 K HA 0.233 4.553 4.320 -0.000 0.000 0.249 41 K C -0.837 175.199 176.600 -0.941 0.000 0.942 41 K CA -1.075 54.817 56.287 -0.658 0.000 0.816 41 K CB 1.206 33.489 32.500 -0.361 0.000 1.155 41 K HN 0.747 nan 8.250 nan 0.000 0.428 42 D N 0.268 120.450 120.400 -0.364 0.000 2.447 42 D HA -0.000 4.639 4.640 -0.000 0.000 0.265 42 D C 0.545 176.778 176.300 -0.113 0.000 1.250 42 D CA -0.205 53.714 54.000 -0.136 0.000 1.046 42 D CB 0.501 41.342 40.800 0.069 0.000 1.095 42 D HN 0.512 nan 8.370 nan 0.000 0.555 43 E N -1.549 118.632 120.200 -0.031 0.000 2.219 43 E HA -0.177 4.172 4.350 -0.000 0.000 0.198 43 E C 1.338 177.921 176.600 -0.030 0.000 0.998 43 E CA 1.537 57.922 56.400 -0.025 0.000 0.818 43 E CB -0.053 29.649 29.700 0.004 0.000 0.741 43 E HN 0.576 nan 8.360 nan 0.000 0.477 44 T N -1.729 112.810 114.554 -0.025 0.000 3.107 44 T HA 0.176 4.526 4.350 -0.000 0.000 0.249 44 T C 1.098 175.779 174.700 -0.032 0.000 1.096 44 T CA 0.705 62.794 62.100 -0.018 0.000 1.012 44 T CB 0.015 68.882 68.868 -0.001 0.000 0.977 44 T HN 0.312 nan 8.240 nan 0.000 0.527 45 G N 1.533 110.294 108.800 -0.064 0.000 2.176 45 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.252 45 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.252 45 G C -0.172 174.684 174.900 -0.073 0.000 1.024 45 G CA 0.363 45.412 45.100 -0.085 0.000 0.755 45 G HN 0.621 nan 8.290 nan 0.000 0.507 46 K N -0.414 119.951 120.400 -0.058 0.000 2.221 46 K HA 0.673 4.993 4.320 -0.000 0.000 0.243 46 K C -0.105 176.488 176.600 -0.013 0.000 0.968 46 K CA -0.540 55.732 56.287 -0.026 0.000 0.846 46 K CB 1.505 34.009 32.500 0.008 0.000 1.141 46 K HN 0.009 nan 8.250 nan 0.000 0.434 47 T N 3.950 118.518 114.554 0.022 0.000 3.145 47 T HA 0.272 4.621 4.350 -0.000 0.000 0.362 47 T C -2.267 172.519 174.700 0.143 0.000 1.340 47 T CA -1.368 60.790 62.100 0.095 0.000 1.069 47 T CB 0.212 69.109 68.868 0.048 0.000 1.129 47 T HN 0.387 nan 8.240 nan 0.000 0.585 48 P HA 0.420 nan 4.420 nan 0.000 0.279 48 P C -0.342 177.058 177.300 0.166 0.000 1.252 48 P CA -0.634 62.551 63.100 0.142 0.000 0.811 48 P CB 0.702 32.477 31.700 0.123 0.000 1.035 49 V N 2.188 122.182 119.914 0.133 0.000 2.585 49 V HA -0.038 4.082 4.120 -0.000 0.000 0.296 49 V C 0.959 177.125 176.094 0.120 0.000 1.035 49 V CA -0.437 61.941 62.300 0.131 0.000 1.084 49 V CB -0.204 31.685 31.823 0.109 0.000 0.953 49 V HN 0.371 nan 8.190 nan 0.000 0.483 50 L N 5.240 126.540 121.223 0.127 0.000 2.514 50 L HA 0.054 4.394 4.340 -0.000 0.000 0.280 50 L C 1.903 178.830 176.870 0.096 0.000 1.223 50 L CA 1.226 56.133 54.840 0.112 0.000 0.864 50 L CB 0.821 42.962 42.059 0.138 0.000 1.118 50 L HN 0.991 nan 8.230 nan 0.000 0.494 51 T N -2.114 112.486 114.554 0.077 0.000 2.867 51 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 51 T C 1.808 176.550 174.700 0.069 0.000 1.057 51 T CA 1.084 63.223 62.100 0.065 0.000 1.136 51 T CB -0.277 68.619 68.868 0.047 0.000 0.874 51 T HN 0.670 nan 8.240 nan 0.000 0.466 52 S N 1.040 116.791 115.700 0.086 0.000 2.399 52 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 52 S C 2.004 176.656 174.600 0.086 0.000 1.022 52 S CA 0.969 59.226 58.200 0.095 0.000 0.983 52 S CB -0.990 62.302 63.200 0.153 0.000 0.803 52 S HN 0.391 nan 8.310 nan 0.000 0.480 53 V N 2.076 122.051 119.914 0.102 0.000 2.323 53 V HA -0.073 4.047 4.120 -0.000 0.000 0.244 53 V C 2.795 178.927 176.094 0.063 0.000 1.041 53 V CA 1.564 63.912 62.300 0.080 0.000 1.025 53 V CB -0.561 31.327 31.823 0.108 0.000 0.656 53 V HN 0.372 nan 8.190 nan 0.000 0.451 54 K N 0.568 121.013 120.400 0.074 0.000 2.063 54 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 54 K C 2.100 178.739 176.600 0.065 0.000 1.048 54 K CA 1.457 57.785 56.287 0.070 0.000 0.928 54 K CB -0.373 32.166 32.500 0.066 0.000 0.713 54 K HN 0.482 nan 8.250 nan 0.000 0.442 55 K N 0.263 120.698 120.400 0.059 0.000 2.026 55 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 55 K C 2.248 178.890 176.600 0.069 0.000 1.048 55 K CA 1.226 57.548 56.287 0.058 0.000 0.929 55 K CB -0.181 32.343 32.500 0.041 0.000 0.713 55 K HN 0.091 nan 8.250 nan 0.000 0.439 56 A N 1.913 124.758 122.820 0.042 0.000 1.902 56 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 56 A C 1.932 179.562 177.584 0.077 0.000 1.181 56 A CA 1.501 53.559 52.037 0.034 0.000 0.623 56 A CB -0.362 18.612 19.000 -0.043 0.000 0.818 56 A HN 0.315 nan 8.150 nan 0.000 0.443 57 E N -0.759 119.473 120.200 0.053 0.000 2.106 57 E HA -0.237 4.112 4.350 -0.000 0.000 0.192 57 E C 2.244 178.901 176.600 0.096 0.000 0.984 57 E CA 1.203 57.650 56.400 0.079 0.000 0.806 57 E CB -0.186 29.590 29.700 0.127 0.000 0.750 57 E HN 0.850 nan 8.360 nan 0.000 0.458 58 Q N 0.484 120.338 119.800 0.091 0.000 2.061 58 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 58 Q C 2.073 178.122 176.000 0.081 0.000 0.984 58 Q CA 1.602 57.450 55.803 0.076 0.000 0.846 58 Q CB -0.377 28.406 28.738 0.075 0.000 0.902 58 Q HN 0.321 nan 8.270 nan 0.000 0.421 59 Y N 0.969 121.268 120.300 -0.001 0.000 2.069 59 Y HA -0.303 4.247 4.550 -0.000 0.000 0.278 59 Y C 1.828 177.722 175.900 -0.011 0.000 1.175 59 Y CA 2.221 60.315 58.100 -0.009 0.000 1.134 59 Y CB -0.322 38.126 38.460 -0.019 0.000 0.965 59 Y HN 0.171 nan 8.280 nan 0.000 0.498 60 L N -0.667 120.568 121.223 0.020 0.000 2.046 60 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 60 L C 2.623 179.446 176.870 -0.078 0.000 1.077 60 L CA 1.141 55.948 54.840 -0.055 0.000 0.747 60 L CB -0.783 41.290 42.059 0.023 0.000 0.896 60 L HN 0.339 nan 8.230 nan 0.000 0.432 61 L N 0.088 121.295 121.223 -0.027 0.000 2.013 61 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 61 L C 2.483 179.304 176.870 -0.081 0.000 1.073 61 L CA 1.901 56.722 54.840 -0.032 0.000 0.753 61 L CB -0.188 41.868 42.059 -0.005 0.000 0.890 61 L HN 0.401 nan 8.230 nan 0.000 0.432 62 E N -0.751 119.374 120.200 -0.126 0.000 2.158 62 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 62 E C 1.501 177.983 176.600 -0.196 0.000 0.982 62 E CA 1.324 57.639 56.400 -0.142 0.000 0.823 62 E CB 0.115 29.738 29.700 -0.130 0.000 0.766 62 E HN 0.600 nan 8.360 nan 0.000 0.468 63 N N -0.264 118.248 118.700 -0.313 0.000 2.407 63 N HA 0.037 4.777 4.740 -0.000 0.000 0.182 63 N C 0.136 175.525 175.510 -0.202 0.000 1.079 63 N CA -0.057 52.794 53.050 -0.332 0.000 0.882 63 N CB 0.624 38.714 38.487 -0.662 0.000 1.106 63 N HN -0.004 nan 8.380 nan 0.000 0.461 67 T N 0.458 114.989 114.554 -0.038 0.000 2.840 67 T HA 0.547 4.897 4.350 -0.000 0.000 0.317 67 T C -1.235 173.435 174.700 -0.050 0.000 1.401 67 T CA -0.623 61.453 62.100 -0.041 0.000 1.028 67 T CB 1.730 70.579 68.868 -0.032 0.000 1.317 67 T HN -0.067 nan 8.240 nan 0.000 0.495 68 K N 2.095 122.454 120.400 -0.069 0.000 2.455 68 K HA 0.227 4.547 4.320 -0.000 0.000 0.206 68 K C 0.482 176.998 176.600 -0.141 0.000 1.027 68 K CA -0.470 55.761 56.287 -0.093 0.000 1.113 68 K CB -0.127 32.309 32.500 -0.106 0.000 0.850 68 K HN 0.450 nan 8.250 nan 0.000 0.503 69 N N 1.391 120.028 118.700 -0.106 0.000 2.294 69 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 69 N C -0.511 174.945 175.510 -0.089 0.000 1.242 69 N CA 0.372 53.357 53.050 -0.107 0.000 0.848 69 N CB 0.147 38.623 38.487 -0.019 0.000 1.084 69 N HN -0.036 nan 8.380 nan 0.000 0.457 70 Y N 2.090 122.391 120.300 0.001 0.000 3.032 70 Y HA -0.139 4.411 4.550 -0.000 0.000 0.344 70 Y C 1.031 176.933 175.900 0.004 0.000 1.273 70 Y CA 0.455 58.557 58.100 0.003 0.000 1.588 70 Y CB -0.011 38.451 38.460 0.004 0.000 1.209 70 Y HN 0.283 nan 8.280 nan 0.000 0.597 71 L N 3.028 124.350 121.223 0.165 0.000 2.476 71 L HA 0.205 4.545 4.340 -0.000 0.000 0.264 71 L C 1.395 178.332 176.870 0.112 0.000 1.224 71 L CA -0.141 54.762 54.840 0.105 0.000 0.821 71 L CB 0.061 42.160 42.059 0.066 0.000 1.101 71 L HN 0.841 nan 8.230 nan 0.000 0.488 72 G N 0.564 109.411 108.800 0.079 0.000 2.720 72 G HA2 0.083 4.043 3.960 -0.000 0.000 0.237 72 G HA3 0.083 4.043 3.960 -0.000 0.000 0.237 72 G C 0.958 175.890 174.900 0.054 0.000 1.239 72 G CA -0.398 44.739 45.100 0.061 0.000 0.847 72 G HN 0.692 nan 8.290 nan 0.000 0.593 73 I N 0.320 120.899 120.570 0.015 0.000 2.335 73 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 73 I C 1.912 178.045 176.117 0.025 0.000 1.129 73 I CA 1.580 62.868 61.300 -0.020 0.000 1.402 73 I CB -0.078 37.865 38.000 -0.094 0.000 1.069 73 I HN 0.588 nan 8.210 nan 0.000 0.424 74 D N 0.159 120.605 120.400 0.076 0.000 2.339 74 D HA 0.208 4.848 4.640 -0.000 0.000 0.217 74 D C 1.079 177.484 176.300 0.174 0.000 1.050 74 D CA 0.700 54.806 54.000 0.176 0.000 0.856 74 D CB -0.137 40.882 40.800 0.365 0.000 0.922 74 D HN 0.333 nan 8.370 nan 0.000 0.518 75 G N 0.772 109.638 108.800 0.110 0.000 2.615 75 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 75 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 75 G C -0.473 174.468 174.900 0.068 0.000 1.339 75 G CA -0.400 44.733 45.100 0.056 0.000 0.884 75 G HN 0.291 nan 8.290 nan 0.000 0.559 76 I N 2.450 123.038 120.570 0.031 0.000 2.517 76 I HA 0.166 4.335 4.170 -0.000 0.000 0.285 76 I C -0.942 175.253 176.117 0.130 0.000 1.106 76 I CA -1.384 59.952 61.300 0.060 0.000 1.402 76 I CB 1.347 39.358 38.000 0.019 0.000 1.399 76 I HN 0.296 nan 8.210 nan 0.000 0.535 77 P HA -0.206 nan 4.420 nan 0.000 0.215 77 P C 1.399 178.745 177.300 0.076 0.000 1.153 77 P CA 1.046 64.198 63.100 0.088 0.000 0.853 77 P CB 0.296 32.032 31.700 0.060 0.000 0.788 78 E N -1.149 119.089 120.200 0.063 0.000 2.106 78 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 78 E C 1.726 178.341 176.600 0.026 0.000 0.984 78 E CA 0.817 57.235 56.400 0.030 0.000 0.806 78 E CB -1.138 28.570 29.700 0.013 0.000 0.750 78 E HN 0.136 nan 8.360 nan 0.000 0.458 79 F N 0.204 120.105 119.950 -0.082 0.000 2.065 79 F HA -0.159 4.367 4.527 -0.000 0.000 0.298 79 F C 2.053 177.823 175.800 -0.050 0.000 1.112 79 F CA 2.298 60.233 58.000 -0.108 0.000 1.212 79 F CB -0.733 38.200 39.000 -0.113 0.000 0.975 79 F HN 0.129 nan 8.300 nan 0.000 0.476 80 G N -0.287 108.564 108.800 0.083 0.000 2.418 80 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.217 80 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.217 80 G C 1.745 176.597 174.900 -0.079 0.000 1.158 80 G CA 0.815 45.914 45.100 -0.002 0.000 0.771 80 G HN 0.392 nan 8.290 nan 0.000 0.545 81 R N -0.551 119.919 120.500 -0.050 0.000 2.081 81 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 81 R C 2.561 178.812 176.300 -0.082 0.000 1.131 81 R CA 1.715 57.788 56.100 -0.046 0.000 0.960 81 R CB -0.601 29.685 30.300 -0.024 0.000 0.856 81 R HN 0.365 nan 8.270 nan 0.000 0.436 82 C N -0.345 118.870 119.300 -0.142 0.000 2.440 82 C HA -0.017 4.443 4.460 -0.000 0.000 0.278 82 C C 2.574 177.452 174.990 -0.187 0.000 1.295 82 C CA 1.112 60.029 59.018 -0.168 0.000 1.738 82 C CB -0.760 26.841 27.740 -0.232 0.000 1.987 82 C HN 0.593 nan 8.230 nan 0.000 0.492 83 T N 0.733 115.114 114.554 -0.288 0.000 2.684 83 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 83 T C 1.837 176.425 174.700 -0.186 0.000 1.036 83 T CA 1.512 63.466 62.100 -0.242 0.000 1.148 83 T CB -0.340 68.316 68.868 -0.354 0.000 0.863 83 T HN 0.639 nan 8.240 nan 0.000 0.436 84 Q N 0.510 120.235 119.800 -0.125 0.000 2.135 84 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 84 Q C 2.403 178.396 176.000 -0.011 0.000 0.981 84 Q CA 1.357 57.138 55.803 -0.037 0.000 0.856 84 Q CB -0.162 28.650 28.738 0.122 0.000 0.902 84 Q HN 0.658 nan 8.270 nan 0.000 0.425 85 E N 0.685 120.877 120.200 -0.014 0.000 2.031 85 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 85 E C 2.118 178.711 176.600 -0.011 0.000 0.994 85 E CA 0.713 57.119 56.400 0.009 0.000 0.800 85 E CB -0.136 29.566 29.700 0.003 0.000 0.752 85 E HN 0.287 nan 8.360 nan 0.000 0.447 86 L N 0.827 122.029 121.223 -0.033 0.000 2.043 86 L HA -0.255 4.084 4.340 -0.000 0.000 0.212 86 L C 2.431 179.264 176.870 -0.061 0.000 1.075 86 L CA 1.208 56.041 54.840 -0.013 0.000 0.752 86 L CB -0.249 41.818 42.059 0.014 0.000 0.891 86 L HN 0.230 nan 8.230 nan 0.000 0.432 87 L N -2.044 119.043 121.223 -0.228 0.000 2.068 87 L HA -0.154 4.186 4.340 -0.000 0.000 0.204 87 L C 2.031 178.662 176.870 -0.397 0.000 1.076 87 L CA 1.122 55.703 54.840 -0.431 0.000 0.753 87 L CB -0.307 41.150 42.059 -1.003 0.000 0.910 87 L HN 0.166 nan 8.230 nan 0.000 0.439 88 F N -0.361 119.578 119.950 -0.018 0.000 2.731 88 F HA 0.413 4.940 4.527 -0.000 0.000 0.298 88 F C 1.159 176.941 175.800 -0.030 0.000 1.106 88 F CA -0.050 57.923 58.000 -0.044 0.000 1.329 88 F CB -0.213 38.759 39.000 -0.047 0.000 1.100 88 F HN 0.059 nan 8.300 nan 0.000 0.592 89 G N 1.200 110.070 108.800 0.116 0.000 3.039 89 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 89 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 89 G C 0.570 175.512 174.900 0.070 0.000 1.066 89 G CA -0.119 45.026 45.100 0.074 0.000 0.774 89 G HN 0.282 nan 8.290 nan 0.000 0.591 90 K N 0.908 121.335 120.400 0.045 0.000 2.052 90 K HA -0.154 4.166 4.320 -0.000 0.000 0.215 90 K C 2.242 178.860 176.600 0.031 0.000 1.053 90 K CA 2.699 59.006 56.287 0.034 0.000 0.934 90 K CB -0.464 32.049 32.500 0.022 0.000 0.717 90 K HN 1.142 nan 8.250 nan 0.000 0.450 91 G N 0.617 109.432 108.800 0.025 0.000 3.383 91 G HA2 0.027 3.987 3.960 -0.000 0.000 0.251 91 G HA3 0.027 3.987 3.960 -0.000 0.000 0.251 91 G C -0.187 174.721 174.900 0.014 0.000 1.203 91 G CA -0.150 44.959 45.100 0.015 0.000 0.852 91 G HN 0.294 nan 8.290 nan 0.000 0.531 92 S N 0.021 115.738 115.700 0.028 0.000 2.558 92 S HA 0.329 4.799 4.470 -0.000 0.000 0.288 92 S C 1.896 176.485 174.600 -0.019 0.000 1.318 92 S CA 0.256 58.466 58.200 0.017 0.000 1.056 92 S CB 0.963 64.201 63.200 0.062 0.000 0.853 92 S HN 0.510 nan 8.310 nan 0.000 0.505 93 A N 4.901 127.698 122.820 -0.038 0.000 2.019 93 A HA -0.011 4.308 4.320 -0.000 0.000 0.219 93 A C 1.927 179.458 177.584 -0.088 0.000 1.164 93 A CA 1.173 53.178 52.037 -0.053 0.000 0.644 93 A CB -0.587 18.383 19.000 -0.050 0.000 0.805 93 A HN 0.788 nan 8.150 nan 0.000 0.449 94 L N -0.224 120.911 121.223 -0.147 0.000 2.083 94 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 94 L C 2.343 179.119 176.870 -0.156 0.000 1.083 94 L CA 1.510 56.208 54.840 -0.238 0.000 0.752 94 L CB -0.448 41.278 42.059 -0.555 0.000 0.899 94 L HN 0.426 nan 8.230 nan 0.000 0.433 95 I N -1.046 119.475 120.570 -0.081 0.000 2.277 95 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 95 I C 1.915 178.015 176.117 -0.029 0.000 1.094 95 I CA 1.214 62.499 61.300 -0.025 0.000 1.393 95 I CB -0.511 37.506 38.000 0.028 0.000 1.078 95 I HN 0.323 nan 8.210 nan 0.000 0.417 96 N N 1.020 119.703 118.700 -0.028 0.000 2.149 96 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 96 N C 0.839 176.332 175.510 -0.029 0.000 1.019 96 N CA 1.244 54.281 53.050 -0.023 0.000 0.857 96 N CB -0.053 38.421 38.487 -0.020 0.000 0.997 96 N HN 0.299 nan 8.380 nan 0.000 0.426 97 D N 0.604 120.979 120.400 -0.041 0.000 2.349 97 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 97 D C -0.125 176.150 176.300 -0.043 0.000 1.029 97 D CA 0.307 54.282 54.000 -0.041 0.000 0.879 97 D CB 0.071 40.843 40.800 -0.048 0.000 0.906 97 D HN 0.178 nan 8.370 nan 0.000 0.528 98 K N -0.138 120.234 120.400 -0.047 0.000 3.077 98 K HA -0.258 4.062 4.320 -0.000 0.000 0.264 98 K C 0.767 177.331 176.600 -0.061 0.000 1.008 98 K CA 0.210 56.468 56.287 -0.048 0.000 0.740 98 K CB -1.260 31.220 32.500 -0.033 0.000 1.273 98 K HN 0.143 nan 8.250 nan 0.000 0.477 99 R N 0.054 120.503 120.500 -0.084 0.000 2.310 99 R HA 0.163 4.503 4.340 -0.000 0.000 0.202 99 R C 0.329 176.569 176.300 -0.100 0.000 0.933 99 R CA 0.697 56.745 56.100 -0.087 0.000 1.054 99 R CB 0.639 30.875 30.300 -0.106 0.000 0.985 99 R HN 0.369 nan 8.270 nan 0.000 0.489 100 A N 0.692 123.446 122.820 -0.109 0.000 2.356 100 A HA 0.623 4.942 4.320 -0.000 0.000 0.310 100 A C -0.841 176.655 177.584 -0.147 0.000 1.075 100 A CA -0.832 51.151 52.037 -0.090 0.000 0.746 100 A CB 1.143 20.127 19.000 -0.027 0.000 1.221 100 A HN -0.006 nan 8.150 nan 0.000 0.443 101 R N 1.167 121.505 120.500 -0.271 0.000 2.562 101 R HA 0.669 5.009 4.340 -0.000 0.000 0.298 101 R C -1.086 174.890 176.300 -0.540 0.000 0.961 101 R CA -0.370 55.347 56.100 -0.639 0.000 0.881 101 R CB 1.757 31.283 30.300 -1.290 0.000 1.159 101 R HN 0.678 nan 8.270 nan 0.000 0.450 102 T N 1.324 115.649 114.554 -0.382 0.000 2.792 102 T HA 0.557 4.907 4.350 -0.000 0.000 0.280 102 T C -0.511 174.336 174.700 0.245 0.000 0.990 102 T CA -0.526 61.568 62.100 -0.010 0.000 0.960 102 T CB 1.667 70.560 68.868 0.041 0.000 0.939 102 T HN 0.591 nan 8.240 nan 0.000 0.439 103 A N 3.442 126.519 122.820 0.429 0.000 2.276 103 A HA 0.513 4.833 4.320 -0.000 0.000 0.316 103 A C 0.253 178.032 177.584 0.325 0.000 1.229 103 A CA -0.681 51.611 52.037 0.424 0.000 0.851 103 A CB 0.535 19.730 19.000 0.326 0.000 1.165 103 A HN 0.798 nan 8.150 nan 0.000 0.513 104 Q N 2.070 122.048 119.800 0.297 0.000 2.311 104 Q HA 0.331 4.671 4.340 -0.000 0.000 0.272 104 Q C -0.051 176.021 176.000 0.120 0.000 1.012 104 Q CA 0.528 56.448 55.803 0.195 0.000 0.891 104 Q CB 0.424 29.080 28.738 -0.136 0.000 1.201 104 Q HN 0.813 nan 8.270 nan 0.000 0.391 105 T N 0.891 115.498 114.554 0.088 0.000 2.926 105 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 105 T C -2.656 171.961 174.700 -0.139 0.000 1.054 105 T CA -2.138 59.975 62.100 0.022 0.000 1.015 105 T CB 1.703 70.629 68.868 0.095 0.000 1.167 105 T HN 0.490 nan 8.240 nan 0.000 0.526 106 P HA 0.371 nan 4.420 nan 0.000 0.263 106 P C 0.733 177.955 177.300 -0.130 0.000 1.601 106 P CA 0.726 63.660 63.100 -0.276 0.000 1.161 106 P CB -0.584 30.845 31.700 -0.453 0.000 1.730 107 G N 2.926 111.692 108.800 -0.056 0.000 2.814 107 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.677 107 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.677 107 G C 0.893 175.800 174.900 0.011 0.000 1.429 107 G CA -0.491 44.605 45.100 -0.007 0.000 0.868 107 G HN 0.450 nan 8.290 nan 0.000 0.553 108 G N -0.574 108.229 108.800 0.004 0.000 2.484 108 G HA2 0.137 4.097 3.960 -0.000 0.000 0.218 108 G HA3 0.137 4.097 3.960 -0.000 0.000 0.218 108 G C 2.042 176.977 174.900 0.058 0.000 1.130 108 G CA 2.014 47.120 45.100 0.010 0.000 0.784 108 G HN 1.192 nan 8.290 nan 0.000 0.543 109 S N 0.892 116.637 115.700 0.075 0.000 2.351 109 S HA -0.102 4.367 4.470 -0.000 0.000 0.220 109 S C 2.591 177.226 174.600 0.059 0.000 1.035 109 S CA 1.338 59.600 58.200 0.104 0.000 1.031 109 S CB -0.883 62.376 63.200 0.099 0.000 0.928 109 S HN 0.510 nan 8.310 nan 0.000 0.433 110 G N 1.399 110.212 108.800 0.022 0.000 2.505 110 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.220 110 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.220 110 G C 1.514 176.470 174.900 0.093 0.000 1.145 110 G CA 1.206 46.319 45.100 0.022 0.000 0.761 110 G HN 0.613 nan 8.290 nan 0.000 0.571 111 A N 0.175 123.049 122.820 0.091 0.000 1.969 111 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 111 A C 2.433 180.098 177.584 0.136 0.000 1.169 111 A CA 1.137 53.250 52.037 0.126 0.000 0.635 111 A CB -0.276 18.795 19.000 0.118 0.000 0.810 111 A HN 0.372 nan 8.150 nan 0.000 0.445 112 L N -0.981 120.310 121.223 0.114 0.000 2.056 112 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 112 L C 2.741 179.634 176.870 0.038 0.000 1.078 112 L CA 1.691 56.589 54.840 0.097 0.000 0.749 112 L CB -0.362 41.736 42.059 0.063 0.000 0.901 112 L HN 0.418 nan 8.230 nan 0.000 0.433 113 R N 0.132 120.648 120.500 0.026 0.000 2.090 113 R HA -0.090 4.250 4.340 -0.000 0.000 0.228 113 R C 1.969 178.335 176.300 0.110 0.000 1.110 113 R CA 1.566 57.683 56.100 0.029 0.000 0.973 113 R CB -0.937 29.386 30.300 0.038 0.000 0.869 113 R HN 0.084 nan 8.270 nan 0.000 0.440 114 V N 1.269 121.271 119.914 0.147 0.000 2.261 114 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 114 V C 2.430 178.649 176.094 0.208 0.000 1.047 114 V CA 2.059 64.456 62.300 0.162 0.000 1.015 114 V CB -1.153 30.768 31.823 0.162 0.000 0.642 114 V HN 0.563 nan 8.190 nan 0.000 0.446 115 A N 0.066 123.019 122.820 0.223 0.000 1.873 115 A HA -0.246 4.073 4.320 -0.000 0.000 0.218 115 A C 2.436 180.246 177.584 0.377 0.000 1.193 115 A CA 2.687 54.914 52.037 0.318 0.000 0.629 115 A CB -1.006 18.179 19.000 0.308 0.000 0.826 115 A HN 0.624 nan 8.150 nan 0.000 0.447 116 A N -0.229 122.792 122.820 0.335 0.000 1.877 116 A HA -0.191 4.128 4.320 -0.000 0.000 0.216 116 A C 1.793 179.508 177.584 0.218 0.000 1.186 116 A CA 1.958 54.196 52.037 0.335 0.000 0.620 116 A CB -0.636 18.543 19.000 0.298 0.000 0.822 116 A HN 0.500 nan 8.150 nan 0.000 0.443 117 D N -0.961 119.547 120.400 0.180 0.000 2.097 117 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 117 D C 1.648 178.041 176.300 0.156 0.000 0.989 117 D CA 1.411 55.492 54.000 0.135 0.000 0.827 117 D CB -0.589 40.275 40.800 0.106 0.000 0.966 117 D HN 0.493 nan 8.370 nan 0.000 0.456 118 F N 1.334 121.323 119.950 0.065 0.000 2.091 118 F HA -0.222 4.304 4.527 -0.000 0.000 0.299 118 F C 1.908 177.750 175.800 0.070 0.000 1.103 118 F CA 1.075 59.111 58.000 0.059 0.000 1.228 118 F CB -0.188 38.855 39.000 0.071 0.000 0.984 118 F HN -0.127 nan 8.300 nan 0.000 0.477 119 L N 0.687 121.881 121.223 -0.048 0.000 2.056 119 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 119 L C 2.776 179.574 176.870 -0.120 0.000 1.078 119 L CA 1.877 56.620 54.840 -0.161 0.000 0.749 119 L CB -2.002 40.097 42.059 0.066 0.000 0.901 119 L HN 0.305 nan 8.230 nan 0.000 0.433 120 A N -0.784 122.022 122.820 -0.022 0.000 1.933 120 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 120 A C 2.290 179.847 177.584 -0.046 0.000 1.175 120 A CA 1.629 53.657 52.037 -0.014 0.000 0.628 120 A CB -0.332 18.684 19.000 0.027 0.000 0.814 120 A HN 0.409 nan 8.150 nan 0.000 0.444 121 K N -0.599 119.763 120.400 -0.063 0.000 2.243 121 K HA 0.064 4.383 4.320 -0.000 0.000 0.201 121 K C 0.654 177.193 176.600 -0.102 0.000 1.051 121 K CA 1.069 57.320 56.287 -0.060 0.000 0.970 121 K CB 0.103 32.585 32.500 -0.029 0.000 0.755 121 K HN 0.420 nan 8.250 nan 0.000 0.465 122 N N 0.270 118.850 118.700 -0.201 0.000 2.143 122 N HA 0.013 4.753 4.740 -0.000 0.000 0.222 122 N C -0.122 175.264 175.510 -0.208 0.000 1.264 122 N CA 0.328 53.243 53.050 -0.225 0.000 0.897 122 N CB 1.459 39.734 38.487 -0.352 0.000 1.092 122 N HN 0.186 nan 8.380 nan 0.000 0.516 123 T N -2.276 112.169 114.554 -0.181 0.000 2.831 123 T HA 0.298 4.648 4.350 -0.000 0.000 0.287 123 T C 0.785 175.452 174.700 -0.054 0.000 1.070 123 T CA -0.557 61.476 62.100 -0.111 0.000 1.010 123 T CB 1.507 70.303 68.868 -0.121 0.000 1.264 123 T HN -0.074 nan 8.240 nan 0.000 0.532 124 S N -0.494 115.195 115.700 -0.019 0.000 2.634 124 S HA 0.262 4.732 4.470 -0.000 0.000 0.221 124 S C 0.560 175.166 174.600 0.010 0.000 0.952 124 S CA -0.555 57.645 58.200 0.000 0.000 0.930 124 S CB -0.625 62.585 63.200 0.016 0.000 0.780 124 S HN 0.634 nan 8.310 nan 0.000 0.498 125 V N 2.315 122.231 119.914 0.004 0.000 2.585 125 V HA 0.239 4.359 4.120 -0.000 0.000 0.296 125 V C 0.310 176.406 176.094 0.003 0.000 1.035 125 V CA 0.323 62.632 62.300 0.016 0.000 1.084 125 V CB 0.458 32.290 31.823 0.016 0.000 0.953 125 V HN 0.378 nan 8.190 nan 0.000 0.483 134 W N 5.883 127.031 121.300 -0.253 0.000 2.335 134 W HA 0.722 5.381 4.660 -0.000 0.000 0.307 134 W C 0.251 176.730 176.519 -0.066 0.000 1.117 134 W CA -0.056 57.214 57.345 -0.126 0.000 1.228 134 W CB 1.777 31.130 29.460 -0.179 0.000 1.240 134 W HN 0.816 nan 8.180 nan 0.000 0.468 135 V N 0.970 120.919 119.914 0.057 0.000 2.960 135 V HA 0.753 4.873 4.120 -0.000 0.000 0.315 135 V C 0.179 175.905 176.094 -0.614 0.000 1.087 135 V CA -1.266 60.952 62.300 -0.137 0.000 0.982 135 V CB 1.313 33.117 31.823 -0.030 0.000 1.039 135 V HN 0.502 nan 8.190 nan 0.000 0.437 136 S N 2.439 117.622 115.700 -0.861 0.000 2.580 136 S HA 0.322 4.791 4.470 -0.000 0.000 0.274 136 S C -0.113 174.267 174.600 -0.366 0.000 1.329 136 S CA -0.494 57.112 58.200 -0.991 0.000 1.036 136 S CB 0.582 63.302 63.200 -0.801 0.000 0.919 136 S HN 1.148 nan 8.310 nan 0.000 0.515 137 N N 1.920 120.480 118.700 -0.232 0.000 2.361 137 N HA 0.408 5.147 4.740 -0.000 0.000 0.302 137 N C -2.936 172.566 175.510 -0.013 0.000 1.074 137 N CA -1.960 51.044 53.050 -0.076 0.000 0.850 137 N CB 1.482 39.963 38.487 -0.011 0.000 1.228 137 N HN 0.342 nan 8.380 nan 0.000 0.491 138 P HA 0.017 nan 4.420 nan 0.000 0.269 138 P C -0.615 176.619 177.300 -0.109 0.000 1.211 138 P CA 0.021 63.065 63.100 -0.093 0.000 0.781 138 P CB 0.507 32.034 31.700 -0.289 0.000 0.877 139 S N -0.461 115.188 115.700 -0.085 0.000 2.667 139 S HA 0.561 5.031 4.470 -0.000 0.000 0.292 139 S C -1.804 172.821 174.600 0.042 0.000 1.126 139 S CA -0.832 57.364 58.200 -0.007 0.000 0.881 139 S CB 1.114 64.318 63.200 0.007 0.000 1.132 139 S HN 0.456 nan 8.310 nan 0.000 0.492 140 W N 2.890 124.128 121.300 -0.104 0.000 2.316 140 W HA 0.510 5.169 4.660 -0.001 0.000 0.308 140 W C -2.318 174.086 176.519 -0.192 0.000 1.106 140 W CA -2.112 55.105 57.345 -0.214 0.000 1.262 140 W CB 1.174 30.429 29.460 -0.341 0.000 1.233 140 W HN 0.566 nan 8.180 nan 0.000 0.447 141 P HA -0.265 nan 4.420 nan 0.000 0.217 141 P C 1.128 178.158 177.300 -0.451 0.000 1.151 141 P CA 1.875 64.742 63.100 -0.388 0.000 0.849 141 P CB 0.405 31.872 31.700 -0.387 0.000 0.787 142 N N -1.720 116.459 118.700 -0.869 0.000 2.396 142 N HA -0.108 4.632 4.740 -0.000 0.000 0.180 142 N C 1.589 176.926 175.510 -0.289 0.000 1.028 142 N CA 0.716 53.354 53.050 -0.687 0.000 0.893 142 N CB -0.805 37.023 38.487 -1.098 0.000 0.967 142 N HN 0.411 nan 8.380 nan 0.000 0.440 143 H N 0.120 119.143 119.070 -0.079 0.000 2.289 143 H HA -0.137 4.419 4.556 -0.000 0.000 0.296 143 H C 2.023 177.438 175.328 0.145 0.000 1.091 143 H CA 1.515 57.654 56.048 0.151 0.000 1.274 143 H CB 0.197 30.178 29.762 0.366 0.000 1.364 143 H HN 0.166 nan 8.280 nan 0.000 0.490 144 K N 0.450 120.966 120.400 0.194 0.000 2.097 144 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 144 K C 2.428 179.051 176.600 0.038 0.000 1.050 144 K CA 1.246 57.609 56.287 0.127 0.000 0.938 144 K CB 0.054 32.578 32.500 0.041 0.000 0.718 144 K HN 0.048 nan 8.250 nan 0.000 0.442 145 S N 0.425 116.092 115.700 -0.054 0.000 2.353 145 S HA -0.127 4.343 4.470 -0.000 0.000 0.222 145 S C 1.911 176.449 174.600 -0.104 0.000 1.035 145 S CA 1.488 59.633 58.200 -0.092 0.000 1.025 145 S CB -0.186 62.923 63.200 -0.151 0.000 0.902 145 S HN 0.179 nan 8.310 nan 0.000 0.440 146 V N 1.038 120.839 119.914 -0.189 0.000 2.295 146 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 146 V C 1.981 177.927 176.094 -0.246 0.000 1.049 146 V CA 1.781 63.915 62.300 -0.277 0.000 1.024 146 V CB -0.839 30.718 31.823 -0.444 0.000 0.648 146 V HN 0.409 nan 8.190 nan 0.000 0.447 147 F N 0.734 120.703 119.950 0.031 0.000 2.146 147 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 147 F C 2.233 178.028 175.800 -0.007 0.000 1.096 147 F CA 1.443 59.451 58.000 0.014 0.000 1.275 147 F CB -1.154 37.846 39.000 -0.000 0.000 1.008 147 F HN 0.188 nan 8.300 nan 0.000 0.480 148 N N -0.350 118.427 118.700 0.129 0.000 2.104 148 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 148 N C 1.839 177.367 175.510 0.030 0.000 1.024 148 N CA 1.310 54.392 53.050 0.055 0.000 0.853 148 N CB -0.233 38.266 38.487 0.019 0.000 1.008 148 N HN 0.108 nan 8.380 nan 0.000 0.424 149 S N 0.291 115.997 115.700 0.010 0.000 2.419 149 S HA -0.059 4.411 4.470 -0.000 0.000 0.233 149 S C 1.725 176.335 174.600 0.017 0.000 1.016 149 S CA 0.842 59.041 58.200 -0.000 0.000 0.974 149 S CB -0.021 63.166 63.200 -0.022 0.000 0.786 149 S HN 0.437 nan 8.310 nan 0.000 0.492 150 A N 0.063 122.907 122.820 0.040 0.000 2.275 150 A HA 0.535 4.854 4.320 -0.000 0.000 0.212 150 A C 1.500 179.115 177.584 0.052 0.000 1.201 150 A CA 0.596 52.666 52.037 0.055 0.000 0.843 150 A CB -0.568 18.489 19.000 0.095 0.000 0.873 150 A HN 0.789 nan 8.150 nan 0.000 0.492 151 G N -1.640 107.185 108.800 0.041 0.000 2.141 151 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.242 151 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.242 151 G C -0.067 174.849 174.900 0.026 0.000 0.982 151 G CA 0.309 45.424 45.100 0.026 0.000 0.662 151 G HN 0.304 nan 8.290 nan 0.000 0.527 155 V N 3.617 123.425 119.914 -0.176 0.000 2.487 155 V HA 0.633 4.753 4.120 -0.000 0.000 0.298 155 V C -0.430 175.475 176.094 -0.316 0.000 1.028 155 V CA -0.736 61.431 62.300 -0.222 0.000 0.860 155 V CB 1.609 33.390 31.823 -0.070 0.000 0.991 155 V HN 0.550 nan 8.190 nan 0.000 0.427 156 R N 2.822 123.007 120.500 -0.524 0.000 2.740 156 R HA 0.585 4.925 4.340 -0.000 0.000 0.282 156 R C -0.577 175.546 176.300 -0.296 0.000 0.969 156 R CA -0.717 55.022 56.100 -0.601 0.000 0.918 156 R CB 2.289 31.745 30.300 -1.407 0.000 1.175 156 R HN 0.733 nan 8.270 nan 0.000 0.464 157 E N 2.237 122.387 120.200 -0.083 0.000 2.216 157 E HA 0.235 4.585 4.350 -0.000 0.000 0.279 157 E C -0.679 176.107 176.600 0.310 0.000 0.997 157 E CA -0.595 55.835 56.400 0.050 0.000 0.817 157 E CB 1.194 30.894 29.700 0.001 0.000 1.096 157 E HN 0.433 nan 8.360 nan 0.000 0.393 158 Y N 0.068 120.507 120.300 0.232 0.000 2.453 158 Y HA 0.705 5.254 4.550 -0.000 0.000 0.326 158 Y C -0.163 175.822 175.900 0.143 0.000 1.186 158 Y CA -1.443 56.768 58.100 0.185 0.000 1.200 158 Y CB 0.725 39.241 38.460 0.094 0.000 1.247 158 Y HN 0.454 nan 8.280 nan 0.000 0.482 159 A N 1.883 124.888 122.820 0.308 0.000 2.322 159 A HA 0.421 4.741 4.320 -0.000 0.000 0.269 159 A C -0.779 177.006 177.584 0.336 0.000 1.094 159 A CA -0.145 52.029 52.037 0.228 0.000 0.807 159 A CB 0.065 19.161 19.000 0.161 0.000 1.047 159 A HN 1.054 nan 8.150 nan 0.000 0.487 160 Y N -0.028 120.337 120.300 0.108 0.000 2.476 160 Y HA 0.260 4.809 4.550 -0.000 0.000 0.281 160 Y C -0.782 175.199 175.900 0.136 0.000 1.126 160 Y CA 0.007 58.168 58.100 0.102 0.000 1.084 160 Y CB 0.418 38.856 38.460 -0.036 0.000 1.339 160 Y HN 0.651 nan 8.280 nan 0.000 0.556 161 Y N 2.201 122.549 120.300 0.080 0.000 2.350 161 Y HA 0.442 4.992 4.550 -0.000 0.000 0.338 161 Y C -1.031 174.872 175.900 0.006 0.000 0.961 161 Y CA -1.721 56.403 58.100 0.040 0.000 1.100 161 Y CB 0.986 39.536 38.460 0.150 0.000 1.179 161 Y HN 0.032 nan 8.280 nan 0.000 0.454 162 D N 4.448 124.618 120.400 -0.383 0.000 2.380 162 D HA 0.316 4.955 4.640 -0.000 0.000 0.230 162 D C 0.386 176.220 176.300 -0.777 0.000 1.154 162 D CA 0.257 54.008 54.000 -0.415 0.000 0.859 162 D CB 1.560 42.180 40.800 -0.300 0.000 1.045 162 D HN 0.757 nan 8.370 nan 0.000 0.495 163 A N 4.281 126.795 122.820 -0.511 0.000 2.067 163 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 163 A C 1.806 179.012 177.584 -0.630 0.000 1.156 163 A CA 0.659 52.394 52.037 -0.502 0.000 0.683 163 A CB -0.153 18.800 19.000 -0.079 0.000 0.808 163 A HN 0.666 nan 8.150 nan 0.000 0.455 164 E N 0.319 120.252 120.200 -0.445 0.000 2.047 164 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 164 E C 0.968 177.283 176.600 -0.474 0.000 0.987 164 E CA 1.180 57.356 56.400 -0.374 0.000 0.799 164 E CB -0.158 29.419 29.700 -0.205 0.000 0.752 164 E HN 0.576 nan 8.360 nan 0.000 0.449 165 N N -0.143 118.284 118.700 -0.455 0.000 2.254 165 N HA -0.019 4.721 4.740 -0.000 0.000 0.190 165 N C -0.566 174.791 175.510 -0.255 0.000 1.107 165 N CA 0.220 53.108 53.050 -0.270 0.000 0.869 165 N CB 0.438 38.829 38.487 -0.161 0.000 0.983 165 N HN 0.243 nan 8.380 nan 0.000 0.487 166 H N -0.251 118.540 119.070 -0.465 0.000 2.819 166 H HA -0.132 4.424 4.556 -0.000 0.000 0.315 166 H C -0.276 174.917 175.328 -0.225 0.000 1.242 166 H CA 0.854 56.627 56.048 -0.458 0.000 1.157 166 H CB -1.977 27.477 29.762 -0.514 0.000 1.451 166 H HN 0.091 nan 8.280 nan 0.000 0.430 167 T N 0.210 114.568 114.554 -0.328 0.000 2.906 167 T HA 0.486 4.835 4.350 -0.000 0.000 0.295 167 T C 0.132 174.737 174.700 -0.158 0.000 1.075 167 T CA -0.816 61.206 62.100 -0.131 0.000 1.005 167 T CB 2.109 70.910 68.868 -0.111 0.000 1.136 167 T HN 0.303 nan 8.240 nan 0.000 0.498 168 L N 3.238 124.396 121.223 -0.108 0.000 2.500 168 L HA 0.221 4.560 4.340 -0.000 0.000 0.272 168 L C -0.132 176.647 176.870 -0.150 0.000 1.149 168 L CA -0.042 54.659 54.840 -0.231 0.000 0.897 168 L CB 0.292 42.175 42.059 -0.293 0.000 1.178 168 L HN 0.616 nan 8.230 nan 0.000 0.473 169 D N 4.434 124.747 120.400 -0.145 0.000 2.453 169 D HA -0.041 4.599 4.640 -0.000 0.000 0.223 169 D C 0.654 176.959 176.300 0.007 0.000 1.183 169 D CA -0.077 53.889 54.000 -0.056 0.000 0.933 169 D CB 0.434 41.202 40.800 -0.053 0.000 1.038 169 D HN 0.449 nan 8.370 nan 0.000 0.513 170 F N 2.661 122.544 119.950 -0.111 0.000 2.146 170 F HA -0.121 4.405 4.527 -0.001 0.000 0.298 170 F C 1.580 177.362 175.800 -0.031 0.000 1.096 170 F CA 1.174 59.124 58.000 -0.083 0.000 1.275 170 F CB 0.317 39.269 39.000 -0.081 0.000 1.008 170 F HN 0.264 nan 8.300 nan 0.000 0.480 171 D N 0.230 120.617 120.400 -0.022 0.000 2.144 171 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 171 D C 2.340 178.583 176.300 -0.094 0.000 0.978 171 D CA 1.335 55.281 54.000 -0.090 0.000 0.833 171 D CB -0.661 40.133 40.800 -0.011 0.000 0.961 171 D HN 0.358 nan 8.370 nan 0.000 0.470 172 A N 0.902 123.694 122.820 -0.046 0.000 1.969 172 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 172 A C 2.059 179.642 177.584 -0.000 0.000 1.169 172 A CA 0.702 52.732 52.037 -0.011 0.000 0.635 172 A CB -0.477 18.534 19.000 0.017 0.000 0.810 172 A HN 0.227 nan 8.150 nan 0.000 0.445 173 L N 0.283 121.487 121.223 -0.032 0.000 1.994 173 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 173 L C 2.148 178.954 176.870 -0.106 0.000 1.071 173 L CA 1.874 56.722 54.840 0.014 0.000 0.745 173 L CB -0.832 41.225 42.059 -0.002 0.000 0.892 173 L HN 0.418 nan 8.230 nan 0.000 0.431 174 I N -0.006 120.419 120.570 -0.242 0.000 2.179 174 I HA -0.328 3.841 4.170 -0.000 0.000 0.242 174 I C 2.179 178.232 176.117 -0.108 0.000 1.088 174 I CA 1.821 62.998 61.300 -0.204 0.000 1.357 174 I CB -0.510 37.297 38.000 -0.322 0.000 1.051 174 I HN 0.452 nan 8.210 nan 0.000 0.409 175 N N 0.115 118.762 118.700 -0.088 0.000 2.166 175 N HA -0.165 4.574 4.740 -0.000 0.000 0.186 175 N C 1.898 177.389 175.510 -0.031 0.000 1.019 175 N CA 1.235 54.257 53.050 -0.046 0.000 0.856 175 N CB -0.072 38.399 38.487 -0.027 0.000 0.993 175 N HN 0.141 nan 8.380 nan 0.000 0.426 176 S N 0.397 116.088 115.700 -0.015 0.000 2.419 176 S HA 0.027 4.497 4.470 -0.000 0.000 0.233 176 S C 1.402 175.936 174.600 -0.110 0.000 1.016 176 S CA 0.763 58.976 58.200 0.022 0.000 0.974 176 S CB 0.026 63.302 63.200 0.126 0.000 0.786 176 S HN 0.267 nan 8.310 nan 0.000 0.492 177 L N 0.956 122.050 121.223 -0.215 0.000 2.769 177 L HA 0.248 4.588 4.340 -0.000 0.000 0.240 177 L C 1.496 178.224 176.870 -0.235 0.000 1.163 177 L CA -0.122 54.440 54.840 -0.463 0.000 0.962 177 L CB -0.150 41.623 42.059 -0.475 0.000 1.258 177 L HN 0.156 nan 8.230 nan 0.000 0.513 178 N N 0.836 119.462 118.700 -0.124 0.000 2.272 178 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 178 N C 1.682 177.163 175.510 -0.048 0.000 1.014 178 N CA 1.295 54.318 53.050 -0.044 0.000 0.870 178 N CB 0.251 38.724 38.487 -0.024 0.000 0.975 178 N HN 0.347 nan 8.380 nan 0.000 0.433 179 E N -0.228 119.889 120.200 -0.139 0.000 2.106 179 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 179 E C 0.395 176.950 176.600 -0.074 0.000 0.984 179 E CA 0.604 56.964 56.400 -0.067 0.000 0.806 179 E CB -0.145 29.531 29.700 -0.040 0.000 0.750 179 E HN 0.361 nan 8.360 nan 0.000 0.458 180 A N 2.600 125.157 122.820 -0.438 0.000 2.451 180 A HA 0.055 4.374 4.320 -0.000 0.000 0.266 180 A C 0.267 177.965 177.584 0.190 0.000 1.119 180 A CA -0.153 51.627 52.037 -0.429 0.000 0.786 180 A CB 0.313 18.534 19.000 -1.300 0.000 1.061 180 A HN -0.028 nan 8.150 nan 0.000 0.503 181 Q N 0.970 120.926 119.800 0.259 0.000 2.212 181 Q HA 0.544 4.884 4.340 -0.000 0.000 0.238 181 Q C 0.356 176.552 176.000 0.327 0.000 0.955 181 Q CA -0.297 55.661 55.803 0.259 0.000 0.906 181 Q CB 1.215 30.069 28.738 0.193 0.000 1.215 181 Q HN 0.866 nan 8.270 nan 0.000 0.478 182 A N 0.161 123.113 122.820 0.221 0.000 2.566 182 A HA 0.371 4.690 4.320 -0.000 0.000 0.245 182 A C 1.149 178.847 177.584 0.190 0.000 1.056 182 A CA 1.027 53.178 52.037 0.190 0.000 0.757 182 A CB -0.927 18.133 19.000 0.099 0.000 0.979 182 A HN 1.008 nan 8.150 nan 0.000 0.508 183 G N 2.387 111.317 108.800 0.217 0.000 2.159 183 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.256 183 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.256 183 G C -0.117 174.886 174.900 0.173 0.000 0.977 183 G CA 0.341 45.545 45.100 0.175 0.000 0.652 183 G HN 0.841 nan 8.290 nan 0.000 0.531 184 D N -0.109 120.427 120.400 0.226 0.000 2.304 184 D HA 0.496 5.136 4.640 -0.000 0.000 0.247 184 D C 0.727 177.117 176.300 0.150 0.000 1.089 184 D CA -0.214 53.905 54.000 0.198 0.000 0.910 184 D CB 1.721 42.696 40.800 0.290 0.000 1.199 184 D HN 0.102 nan 8.370 nan 0.000 0.426 185 V N 2.190 122.148 119.914 0.074 0.000 2.546 185 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 185 V C 0.203 176.253 176.094 -0.073 0.000 1.050 185 V CA -0.501 61.802 62.300 0.004 0.000 0.981 185 V CB 1.566 33.336 31.823 -0.087 0.000 0.990 185 V HN 0.223 nan 8.190 nan 0.000 0.474 186 V N 6.325 126.134 119.914 -0.175 0.000 2.409 186 V HA 0.420 4.539 4.120 -0.000 0.000 0.291 186 V C -0.196 175.588 176.094 -0.517 0.000 1.020 186 V CA -0.533 61.513 62.300 -0.423 0.000 0.848 186 V CB 1.660 32.995 31.823 -0.813 0.000 0.990 186 V HN 0.716 nan 8.190 nan 0.000 0.430 187 L N 5.531 126.460 121.223 -0.490 0.000 2.292 187 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 187 L C -1.256 175.248 176.870 -0.609 0.000 1.065 187 L CA 0.029 54.590 54.840 -0.464 0.000 0.806 187 L CB 0.651 42.485 42.059 -0.376 0.000 1.175 187 L HN 0.506 nan 8.230 nan 0.000 0.431 188 F N 2.586 122.348 119.950 -0.313 0.000 2.532 188 F HA 0.437 4.963 4.527 -0.001 0.000 0.321 188 F C 0.137 175.903 175.800 -0.057 0.000 1.089 188 F CA -0.684 57.200 58.000 -0.194 0.000 0.926 188 F CB 1.309 39.941 39.000 -0.614 0.000 1.168 188 F HN 0.372 nan 8.300 nan 0.000 0.459 189 H N 1.335 120.610 119.070 0.341 0.000 2.620 189 H HA 0.162 4.718 4.556 -0.001 0.000 0.313 189 H C 0.915 176.567 175.328 0.541 0.000 1.075 189 H CA 0.150 56.417 56.048 0.365 0.000 1.397 189 H CB 1.718 31.675 29.762 0.326 0.000 1.446 189 H HN 0.960 nan 8.280 nan 0.000 0.493 190 G N 2.912 112.043 108.800 0.552 0.000 2.418 190 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.217 190 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.217 190 G C 0.643 175.822 174.900 0.465 0.000 1.158 190 G CA 1.141 46.386 45.100 0.241 0.000 0.771 190 G HN 0.746 nan 8.290 nan 0.000 0.545 191 C N -4.925 114.778 119.300 0.671 0.000 3.332 191 C HA 0.556 5.016 4.460 -0.000 0.000 0.329 191 C C 0.513 175.813 174.990 0.516 0.000 1.434 191 C CA -0.879 58.500 59.018 0.602 0.000 1.314 191 C CB 0.839 28.915 27.740 0.559 0.000 1.664 191 C HN 0.908 nan 8.230 nan 0.000 0.457 192 C N 2.135 121.657 119.300 0.370 0.000 3.727 192 C HA -0.131 4.329 4.460 -0.000 0.000 0.293 192 C C 0.611 175.707 174.990 0.176 0.000 1.339 192 C CA 1.130 60.258 59.018 0.182 0.000 2.150 192 C CB -3.454 24.256 27.740 -0.049 0.000 1.383 192 C HN 1.237 nan 8.230 nan 0.000 0.614 193 H N 1.819 120.977 119.070 0.147 0.000 3.214 193 H HA -0.038 4.518 4.556 -0.000 0.000 0.291 193 H C 0.561 175.812 175.328 -0.128 0.000 0.926 193 H CA 1.275 57.274 56.048 -0.081 0.000 1.409 193 H CB 0.478 30.146 29.762 -0.155 0.000 1.406 193 H HN 0.688 nan 8.280 nan 0.000 0.561 194 N N 7.361 125.688 118.700 -0.620 0.000 2.485 194 N HA 0.129 4.869 4.740 -0.000 0.000 0.243 194 N C -2.147 172.976 175.510 -0.645 0.000 0.987 194 N CA -2.104 50.718 53.050 -0.379 0.000 0.940 194 N CB 1.347 39.766 38.487 -0.113 0.000 1.122 194 N HN 0.461 nan 8.380 nan 0.000 0.509 195 P HA 0.144 nan 4.420 nan 0.000 0.282 195 P C 0.689 177.753 177.300 -0.392 0.000 1.327 195 P CA 0.201 63.006 63.100 -0.492 0.000 0.949 195 P CB 0.329 31.647 31.700 -0.637 0.000 1.445 196 T N -4.685 109.739 114.554 -0.217 0.000 3.043 196 T HA 0.210 4.560 4.350 -0.000 0.000 0.263 196 T C 1.718 176.532 174.700 0.189 0.000 1.094 196 T CA 1.041 63.059 62.100 -0.136 0.000 1.127 196 T CB -1.162 67.604 68.868 -0.169 0.000 0.905 196 T HN 0.160 nan 8.240 nan 0.000 0.490 197 G N 1.485 110.412 108.800 0.213 0.000 2.168 197 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.263 197 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.263 197 G C 0.012 175.071 174.900 0.265 0.000 0.977 197 G CA 0.237 45.474 45.100 0.228 0.000 0.659 197 G HN 0.592 nan 8.290 nan 0.000 0.533 198 I N 1.203 121.955 120.570 0.303 0.000 2.354 198 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 198 I C -0.558 175.722 176.117 0.273 0.000 0.989 198 I CA -0.936 60.526 61.300 0.271 0.000 1.188 198 I CB 1.431 39.596 38.000 0.277 0.000 1.342 198 I HN -0.082 nan 8.210 nan 0.000 0.457 199 D N 7.091 127.614 120.400 0.205 0.000 2.433 199 D HA 0.490 5.130 4.640 -0.000 0.000 0.236 199 D C -2.421 173.870 176.300 -0.014 0.000 1.026 199 D CA -1.295 52.826 54.000 0.203 0.000 0.884 199 D CB 2.033 43.020 40.800 0.312 0.000 1.384 199 D HN 0.170 nan 8.370 nan 0.000 0.477 200 P HA 0.087 nan 4.420 nan 0.000 0.269 200 P C 0.106 177.219 177.300 -0.311 0.000 1.209 200 P CA -0.203 62.583 63.100 -0.524 0.000 0.776 200 P CB 0.263 31.249 31.700 -1.190 0.000 0.876 201 T N -0.040 114.390 114.554 -0.206 0.000 2.766 201 T HA 0.037 4.387 4.350 -0.000 0.000 0.295 201 T C 1.164 175.917 174.700 0.088 0.000 1.024 201 T CA -0.582 61.499 62.100 -0.031 0.000 1.018 201 T CB 0.184 69.011 68.868 -0.068 0.000 1.002 201 T HN 0.170 nan 8.240 nan 0.000 0.532 202 L N 0.992 122.331 121.223 0.193 0.000 2.013 202 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 202 L C 2.623 179.605 176.870 0.186 0.000 1.073 202 L CA 1.856 56.855 54.840 0.264 0.000 0.753 202 L CB -1.178 40.979 42.059 0.164 0.000 0.890 202 L HN 0.781 nan 8.230 nan 0.000 0.432 203 E N -0.670 119.568 120.200 0.062 0.000 2.077 203 E HA -0.264 4.085 4.350 -0.000 0.000 0.193 203 E C 2.085 178.664 176.600 -0.034 0.000 0.989 203 E CA 1.518 57.924 56.400 0.010 0.000 0.800 203 E CB -0.437 29.238 29.700 -0.041 0.000 0.746 203 E HN 0.698 nan 8.360 nan 0.000 0.452 204 Q N 0.089 119.785 119.800 -0.174 0.000 2.084 204 Q HA -0.152 4.187 4.340 -0.000 0.000 0.202 204 Q C 2.084 178.118 176.000 0.057 0.000 0.978 204 Q CA 1.487 57.083 55.803 -0.347 0.000 0.844 204 Q CB -0.344 27.951 28.738 -0.739 0.000 0.898 204 Q HN 0.383 nan 8.270 nan 0.000 0.426 205 W N 1.280 122.640 121.300 0.101 0.000 2.325 205 W HA -0.241 4.419 4.660 -0.001 0.000 0.299 205 W C 2.326 178.937 176.519 0.154 0.000 1.215 205 W CA 0.969 58.441 57.345 0.211 0.000 1.244 205 W CB 0.065 29.645 29.460 0.200 0.000 1.140 205 W HN 0.267 nan 8.180 nan 0.000 0.523 206 Q N -1.003 118.974 119.800 0.294 0.000 2.123 206 Q HA -0.122 4.217 4.340 -0.000 0.000 0.199 206 Q C 2.028 178.076 176.000 0.080 0.000 0.966 206 Q CA 1.813 57.694 55.803 0.131 0.000 0.845 206 Q CB -0.613 28.174 28.738 0.083 0.000 0.907 206 Q HN 0.178 nan 8.270 nan 0.000 0.439 207 T N 1.677 116.311 114.554 0.134 0.000 2.708 207 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 207 T C 1.905 176.703 174.700 0.162 0.000 1.037 207 T CA 0.879 63.073 62.100 0.157 0.000 1.146 207 T CB -0.265 68.773 68.868 0.284 0.000 0.865 207 T HN 0.148 nan 8.240 nan 0.000 0.435 208 L N 0.834 122.230 121.223 0.289 0.000 2.013 208 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 208 L C 3.063 179.940 176.870 0.011 0.000 1.073 208 L CA 1.429 56.446 54.840 0.296 0.000 0.753 208 L CB -0.743 41.611 42.059 0.491 0.000 0.890 208 L HN 0.264 nan 8.230 nan 0.000 0.432 209 A N -0.375 122.224 122.820 -0.367 0.000 1.883 209 A HA -0.317 4.002 4.320 -0.000 0.000 0.217 209 A C 2.200 179.570 177.584 -0.357 0.000 1.186 209 A CA 2.141 53.637 52.037 -0.902 0.000 0.624 209 A CB -0.609 17.967 19.000 -0.707 0.000 0.822 209 A HN 0.451 nan 8.150 nan 0.000 0.444 210 Q N -0.667 119.005 119.800 -0.214 0.000 2.079 210 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 210 Q C 1.838 177.713 176.000 -0.209 0.000 0.974 210 Q CA 1.753 57.446 55.803 -0.184 0.000 0.840 210 Q CB -0.508 28.163 28.738 -0.110 0.000 0.898 210 Q HN 0.512 nan 8.270 nan 0.000 0.430 211 L N -0.003 121.108 121.223 -0.186 0.000 2.046 211 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 211 L C 2.350 178.877 176.870 -0.573 0.000 1.077 211 L CA 2.309 56.972 54.840 -0.295 0.000 0.747 211 L CB -1.147 40.795 42.059 -0.196 0.000 0.896 211 L HN 0.366 nan 8.230 nan 0.000 0.432 212 S N -1.328 114.113 115.700 -0.431 0.000 2.356 212 S HA -0.172 4.298 4.470 -0.000 0.000 0.223 212 S C 2.004 176.471 174.600 -0.223 0.000 1.032 212 S CA 1.628 59.630 58.200 -0.331 0.000 1.005 212 S CB -0.546 62.973 63.200 0.531 0.000 0.867 212 S HN 0.305 nan 8.310 nan 0.000 0.449 213 V N 1.925 121.673 119.914 -0.277 0.000 2.252 213 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 213 V C 2.716 178.642 176.094 -0.279 0.000 1.056 213 V CA 2.476 64.556 62.300 -0.367 0.000 1.022 213 V CB -1.038 30.516 31.823 -0.450 0.000 0.641 213 V HN 0.673 nan 8.190 nan 0.000 0.445 214 E N 0.268 120.286 120.200 -0.303 0.000 2.204 214 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 214 E C 2.092 178.519 176.600 -0.289 0.000 0.989 214 E CA 1.363 57.611 56.400 -0.254 0.000 0.824 214 E CB -0.152 29.411 29.700 -0.228 0.000 0.756 214 E HN 0.460 nan 8.360 nan 0.000 0.477 215 K N -0.923 119.191 120.400 -0.477 0.000 2.379 215 K HA 0.123 4.443 4.320 -0.000 0.000 0.194 215 K C 0.714 177.118 176.600 -0.327 0.000 1.031 215 K CA 0.605 56.573 56.287 -0.532 0.000 1.037 215 K CB 0.460 32.287 32.500 -1.122 0.000 0.824 215 K HN 0.293 nan 8.250 nan 0.000 0.516 216 G N 1.917 110.579 108.800 -0.230 0.000 2.198 216 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.257 216 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.257 216 G C -0.347 174.676 174.900 0.204 0.000 1.042 216 G CA -0.186 44.914 45.100 0.000 0.000 0.791 216 G HN 0.113 nan 8.290 nan 0.000 0.502 217 W N -1.083 120.307 121.300 0.149 0.000 2.150 217 W HA 0.607 5.267 4.660 -0.000 0.000 0.341 217 W C 0.447 177.103 176.519 0.228 0.000 1.276 217 W CA -1.327 56.124 57.345 0.176 0.000 1.238 217 W CB 0.348 29.928 29.460 0.200 0.000 1.128 217 W HN 0.218 nan 8.180 nan 0.000 0.581 218 L N 5.706 127.182 121.223 0.422 0.000 2.264 218 L HA 0.454 4.794 4.340 -0.000 0.000 0.287 218 L C -2.352 174.691 176.870 0.288 0.000 1.039 218 L CA -2.295 52.736 54.840 0.319 0.000 0.829 218 L CB 0.462 42.658 42.059 0.229 0.000 1.211 218 L HN -0.005 nan 8.230 nan 0.000 0.427 219 P HA 0.228 nan 4.420 nan 0.000 0.276 219 P C -1.190 176.232 177.300 0.203 0.000 1.230 219 P CA -0.069 63.206 63.100 0.291 0.000 0.776 219 P CB 0.871 32.774 31.700 0.337 0.000 0.888 220 L N 4.364 125.632 121.223 0.075 0.000 2.372 220 L HA 0.512 4.852 4.340 -0.000 0.000 0.274 220 L C -1.264 175.592 176.870 -0.024 0.000 0.988 220 L CA -0.819 54.068 54.840 0.078 0.000 0.833 220 L CB 0.486 42.552 42.059 0.011 0.000 1.236 220 L HN 0.193 nan 8.230 nan 0.000 0.410 221 F N 3.249 123.222 119.950 0.038 0.000 2.405 221 F HA 0.267 4.794 4.527 -0.001 0.000 0.355 221 F C 0.418 176.241 175.800 0.037 0.000 1.121 221 F CA -0.277 57.726 58.000 0.005 0.000 1.112 221 F CB 1.134 40.054 39.000 -0.133 0.000 1.126 221 F HN 0.420 nan 8.300 nan 0.000 0.481 222 D N 4.317 124.792 120.400 0.124 0.000 2.317 222 D HA 0.130 4.770 4.640 -0.000 0.000 0.234 222 D C -1.303 175.139 176.300 0.238 0.000 1.112 222 D CA -0.135 53.929 54.000 0.106 0.000 0.840 222 D CB 0.532 41.310 40.800 -0.037 0.000 1.078 222 D HN 0.220 nan 8.370 nan 0.000 0.486 223 F N 3.759 123.718 119.950 0.015 0.000 2.550 223 F HA 0.480 5.006 4.527 -0.000 0.000 0.348 223 F C 0.337 176.079 175.800 -0.097 0.000 1.219 223 F CA -1.280 56.731 58.000 0.018 0.000 1.203 223 F CB 0.645 39.642 39.000 -0.004 0.000 1.436 223 F HN 0.450 nan 8.300 nan 0.000 0.541 224 A N 2.343 125.110 122.820 -0.088 0.000 2.220 224 A HA 0.127 4.447 4.320 -0.000 0.000 0.211 224 A C 0.162 177.382 177.584 -0.608 0.000 1.176 224 A CA 0.496 52.265 52.037 -0.446 0.000 0.834 224 A CB -0.273 18.335 19.000 -0.654 0.000 0.868 224 A HN 0.497 nan 8.150 nan 0.000 0.488 225 Y N 0.014 120.279 120.300 -0.057 0.000 2.716 225 Y HA 0.294 4.843 4.550 -0.001 0.000 0.260 225 Y C 0.658 176.610 175.900 0.086 0.000 1.141 225 Y CA -0.761 57.392 58.100 0.089 0.000 1.168 225 Y CB -0.053 38.481 38.460 0.123 0.000 1.189 225 Y HN 0.350 nan 8.280 nan 0.000 0.549 226 Q N 0.829 120.469 119.800 -0.267 0.000 2.247 226 Q HA 0.274 4.614 4.340 -0.000 0.000 0.288 226 Q C 1.164 177.131 176.000 -0.054 0.000 1.079 226 Q CA 1.592 57.199 55.803 -0.328 0.000 0.932 226 Q CB 0.149 28.405 28.738 -0.804 0.000 1.133 226 Q HN 0.798 nan 8.270 nan 0.000 0.377 227 G N 3.235 112.023 108.800 -0.020 0.000 2.238 227 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 227 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 227 G C 0.244 174.978 174.900 -0.276 0.000 0.996 227 G CA 0.084 45.068 45.100 -0.193 0.000 0.632 227 G HN 0.658 nan 8.290 nan 0.000 0.503 228 F N 1.502 121.472 119.950 0.032 0.000 2.664 228 F HA 0.526 5.052 4.527 -0.001 0.000 0.296 228 F C 2.616 178.444 175.800 0.048 0.000 1.125 228 F CA 1.352 59.376 58.000 0.039 0.000 1.444 228 F CB 0.172 39.228 39.000 0.094 0.000 1.114 228 F HN 0.372 nan 8.300 nan 0.000 0.576 229 A N 0.450 123.410 122.820 0.233 0.000 1.849 229 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 229 A C 2.030 179.684 177.584 0.117 0.000 1.269 229 A CA 1.094 53.245 52.037 0.190 0.000 0.605 229 A CB -0.212 18.929 19.000 0.234 0.000 0.937 229 A HN 0.239 nan 8.150 nan 0.000 0.461 230 R N -2.427 118.130 120.500 0.095 0.000 2.215 230 R HA 0.431 4.770 4.340 -0.000 0.000 0.190 230 R C 0.678 176.975 176.300 -0.005 0.000 0.968 230 R CA 0.723 56.852 56.100 0.049 0.000 1.122 230 R CB 0.924 31.265 30.300 0.068 0.000 1.151 230 R HN 0.665 nan 8.270 nan 0.000 0.582 234 E N 1.127 121.343 120.200 0.026 0.000 2.076 234 E HA -0.082 4.267 4.350 -0.000 0.000 0.190 234 E C 1.617 178.248 176.600 0.052 0.000 0.979 234 E CA 1.318 57.742 56.400 0.040 0.000 0.807 234 E CB 0.067 29.780 29.700 0.022 0.000 0.761 234 E HN 0.609 nan 8.360 nan 0.000 0.454 235 E N 1.153 121.384 120.200 0.051 0.000 2.204 235 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 235 E C 0.990 177.655 176.600 0.108 0.000 0.989 235 E CA 0.887 57.328 56.400 0.068 0.000 0.824 235 E CB -0.264 29.474 29.700 0.063 0.000 0.756 235 E HN 0.141 nan 8.360 nan 0.000 0.477 236 D N 1.415 121.904 120.400 0.148 0.000 2.269 236 D HA 0.026 4.665 4.640 -0.000 0.000 0.208 236 D C 1.558 178.014 176.300 0.260 0.000 0.963 236 D CA 1.350 55.504 54.000 0.256 0.000 0.864 236 D CB -0.048 40.942 40.800 0.316 0.000 0.936 236 D HN 0.321 nan 8.370 nan 0.000 0.505 237 A N 0.247 123.173 122.820 0.177 0.000 2.251 237 A HA 0.012 4.332 4.320 -0.000 0.000 0.209 237 A C 1.806 179.268 177.584 -0.204 0.000 1.187 237 A CA 0.193 52.214 52.037 -0.026 0.000 0.823 237 A CB -0.204 18.841 19.000 0.075 0.000 0.846 237 A HN 0.081 nan 8.150 nan 0.000 0.486 238 E N -0.023 120.102 120.200 -0.124 0.000 2.085 238 E HA -0.162 4.187 4.350 -0.000 0.000 0.194 238 E C 2.133 178.547 176.600 -0.310 0.000 0.994 238 E CA 1.066 57.389 56.400 -0.128 0.000 0.801 238 E CB -0.267 29.430 29.700 -0.006 0.000 0.743 238 E HN 0.613 nan 8.360 nan 0.000 0.453 239 G N 1.367 109.774 108.800 -0.654 0.000 2.459 239 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 239 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 239 G C 1.542 175.812 174.900 -1.049 0.000 1.183 239 G CA 0.854 45.062 45.100 -1.488 0.000 0.776 239 G HN 0.191 nan 8.290 nan 0.000 0.552 240 L N 0.661 121.200 121.223 -1.141 0.000 2.017 240 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 240 L C 2.832 179.368 176.870 -0.556 0.000 1.073 240 L CA 1.810 55.873 54.840 -1.297 0.000 0.745 240 L CB -0.627 40.664 42.059 -1.280 0.000 0.894 240 L HN 0.156 nan 8.230 nan 0.000 0.432 241 R N -0.370 119.933 120.500 -0.328 0.000 2.120 241 R HA -0.064 4.275 4.340 -0.000 0.000 0.234 241 R C 2.264 178.530 176.300 -0.056 0.000 1.123 241 R CA 1.140 57.179 56.100 -0.101 0.000 0.975 241 R CB -0.637 29.635 30.300 -0.047 0.000 0.866 241 R HN 0.557 nan 8.270 nan 0.000 0.446 242 A N 0.435 123.216 122.820 -0.066 0.000 1.930 242 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 242 A C 1.804 179.434 177.584 0.076 0.000 1.175 242 A CA 1.070 53.119 52.037 0.021 0.000 0.627 242 A CB -0.460 18.583 19.000 0.071 0.000 0.815 242 A HN 0.191 nan 8.150 nan 0.000 0.443 243 F N 0.145 120.046 119.950 -0.081 0.000 2.146 243 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 243 F C 2.771 178.626 175.800 0.092 0.000 1.096 243 F CA 0.913 58.945 58.000 0.052 0.000 1.275 243 F CB -0.507 38.474 39.000 -0.031 0.000 1.008 243 F HN 0.251 nan 8.300 nan 0.000 0.480 244 A N -0.108 122.789 122.820 0.128 0.000 1.940 244 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 244 A C 2.358 179.955 177.584 0.021 0.000 1.176 244 A CA 1.776 53.839 52.037 0.043 0.000 0.631 244 A CB -1.297 17.692 19.000 -0.018 0.000 0.814 244 A HN 0.315 nan 8.150 nan 0.000 0.446 245 A N -1.394 121.439 122.820 0.021 0.000 2.067 245 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 245 A C 2.071 179.648 177.584 -0.012 0.000 1.158 245 A CA 1.683 53.715 52.037 -0.008 0.000 0.661 245 A CB -0.311 18.681 19.000 -0.012 0.000 0.801 245 A HN 0.468 nan 8.150 nan 0.000 0.452 246 M N -1.150 118.460 119.600 0.018 0.000 2.567 246 M HA 0.168 4.648 4.480 -0.000 0.000 0.261 246 M C 0.032 176.240 176.300 -0.153 0.000 1.180 246 M CA 0.554 55.805 55.300 -0.081 0.000 1.143 246 M CB -0.319 32.192 32.600 -0.149 0.000 1.319 246 M HN 0.335 nan 8.290 nan 0.000 0.490 247 H N 0.672 119.735 119.070 -0.011 0.000 2.472 247 H HA 0.269 4.825 4.556 -0.000 0.000 0.338 247 H C 0.387 175.728 175.328 0.021 0.000 1.133 247 H CA -0.198 55.870 56.048 0.033 0.000 1.216 247 H CB 2.029 31.866 29.762 0.126 0.000 1.497 247 H HN 0.040 nan 8.280 nan 0.000 0.500 248 K N 1.367 121.833 120.400 0.110 0.000 2.097 248 K HA -0.044 4.276 4.320 -0.000 0.000 0.205 248 K C -0.047 176.624 176.600 0.118 0.000 1.050 248 K CA 1.155 57.491 56.287 0.081 0.000 0.938 248 K CB 0.345 32.880 32.500 0.059 0.000 0.718 248 K HN 0.599 nan 8.250 nan 0.000 0.442 249 E N 0.236 120.553 120.200 0.196 0.000 2.293 249 E HA 0.452 4.801 4.350 -0.000 0.000 0.270 249 E C -1.322 175.417 176.600 0.232 0.000 0.879 249 E CA -0.766 55.750 56.400 0.194 0.000 0.756 249 E CB 2.019 31.835 29.700 0.193 0.000 1.208 249 E HN -0.042 nan 8.360 nan 0.000 0.428 250 L N -1.288 120.055 121.223 0.201 0.000 2.940 250 L HA 0.638 4.978 4.340 -0.000 0.000 0.270 250 L C -1.589 175.414 176.870 0.222 0.000 1.030 250 L CA -0.841 54.132 54.840 0.221 0.000 0.928 250 L CB 0.940 43.131 42.059 0.220 0.000 1.506 250 L HN 0.532 nan 8.230 nan 0.000 0.405 251 I N 0.742 121.457 120.570 0.242 0.000 2.608 251 I HA 0.735 4.905 4.170 -0.000 0.000 0.295 251 I C -1.046 175.220 176.117 0.248 0.000 1.049 251 I CA -1.169 60.268 61.300 0.227 0.000 1.063 251 I CB 2.315 40.449 38.000 0.224 0.000 1.248 251 I HN 0.398 nan 8.210 nan 0.000 0.424 252 V N 4.331 124.375 119.914 0.217 0.000 2.448 252 V HA 0.626 4.746 4.120 -0.000 0.000 0.295 252 V C 0.061 176.254 176.094 0.164 0.000 1.025 252 V CA -0.621 61.798 62.300 0.199 0.000 0.859 252 V CB 1.634 33.525 31.823 0.114 0.000 0.988 252 V HN 0.819 nan 8.190 nan 0.000 0.431 253 A N 3.803 126.725 122.820 0.170 0.000 2.322 253 A HA 0.764 5.083 4.320 -0.000 0.000 0.327 253 A C 0.258 177.899 177.584 0.095 0.000 1.394 253 A CA -0.313 51.803 52.037 0.133 0.000 0.921 253 A CB 0.481 19.570 19.000 0.149 0.000 1.153 253 A HN 0.997 nan 8.150 nan 0.000 0.523 254 S N 1.438 117.157 115.700 0.030 0.000 2.621 254 S HA 0.856 5.325 4.470 -0.000 0.000 0.302 254 S C -0.111 174.367 174.600 -0.204 0.000 1.093 254 S CA -0.458 57.689 58.200 -0.089 0.000 1.017 254 S CB 1.790 64.897 63.200 -0.156 0.000 1.077 254 S HN 1.061 nan 8.310 nan 0.000 0.517 255 S N -0.088 115.402 115.700 -0.350 0.000 2.570 255 S HA 0.643 5.113 4.470 -0.000 0.000 0.286 255 S C -1.360 172.951 174.600 -0.482 0.000 1.099 255 S CA -0.585 57.428 58.200 -0.313 0.000 0.913 255 S CB 0.912 63.977 63.200 -0.226 0.000 1.085 255 S HN 0.717 nan 8.310 nan 0.000 0.480 256 Y N 1.312 121.586 120.300 -0.044 0.000 2.500 256 Y HA 0.399 4.949 4.550 -0.000 0.000 0.246 256 Y C 1.475 177.363 175.900 -0.020 0.000 1.146 256 Y CA -0.330 57.775 58.100 0.009 0.000 1.230 256 Y CB 0.123 38.518 38.460 -0.108 0.000 1.214 256 Y HN 0.481 nan 8.280 nan 0.000 0.526 260 F N 1.932 121.997 119.950 0.191 0.000 2.688 260 F HA 0.597 5.124 4.527 -0.001 0.000 0.310 260 F C 1.182 176.976 175.800 -0.009 0.000 1.098 260 F CA 0.307 58.373 58.000 0.111 0.000 1.228 260 F CB 1.021 39.977 39.000 -0.074 0.000 1.042 260 F HN 0.196 nan 8.300 nan 0.000 0.557 261 A N 0.996 123.808 122.820 -0.013 0.000 2.596 261 A HA -0.249 4.071 4.320 -0.000 0.000 0.300 261 A C 0.788 178.263 177.584 -0.182 0.000 1.495 261 A CA 0.811 52.709 52.037 -0.231 0.000 0.769 261 A CB -1.978 17.120 19.000 0.163 0.000 1.047 261 A HN 0.502 nan 8.150 nan 0.000 0.436 262 L N -1.103 119.959 121.223 -0.269 0.000 2.965 262 L HA 0.155 4.495 4.340 -0.000 0.000 0.254 262 L C 1.612 178.456 176.870 -0.043 0.000 1.220 262 L CA -0.251 54.553 54.840 -0.060 0.000 1.023 262 L CB -0.155 41.896 42.059 -0.013 0.000 1.355 262 L HN 0.678 nan 8.230 nan 0.000 0.545 263 Y N 0.785 121.144 120.300 0.099 0.000 2.024 263 Y HA -0.442 4.107 4.550 -0.000 0.000 0.257 263 Y C 2.411 178.339 175.900 0.047 0.000 1.233 263 Y CA 2.208 60.349 58.100 0.068 0.000 1.087 263 Y CB -0.953 37.547 38.460 0.066 0.000 0.905 263 Y HN 0.530 nan 8.280 nan 0.000 0.503 264 N N -0.148 118.687 118.700 0.225 0.000 2.461 264 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 264 N C 0.711 176.265 175.510 0.072 0.000 1.134 264 N CA 0.962 54.087 53.050 0.125 0.000 0.878 264 N CB -0.383 38.166 38.487 0.105 0.000 0.972 264 N HN 0.456 nan 8.380 nan 0.000 0.456 265 E N 0.624 120.864 120.200 0.067 0.000 2.474 265 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 265 E C -0.249 176.346 176.600 -0.008 0.000 1.041 265 E CA -0.060 56.362 56.400 0.037 0.000 0.874 265 E CB 0.089 29.826 29.700 0.061 0.000 0.914 265 E HN 0.184 nan 8.360 nan 0.000 0.498 266 R N -0.133 120.367 120.500 0.001 0.000 2.994 266 R HA -0.113 4.227 4.340 -0.000 0.000 0.267 266 R C -0.842 175.426 176.300 -0.054 0.000 0.914 266 R CA 0.194 56.279 56.100 -0.026 0.000 0.668 266 R CB -3.074 27.191 30.300 -0.059 0.000 1.524 266 R HN -0.066 nan 8.270 nan 0.000 0.478 267 V N 0.503 120.411 119.914 -0.011 0.000 2.350 267 V HA 0.886 5.006 4.120 -0.000 0.000 0.285 267 V C 1.068 177.267 176.094 0.174 0.000 1.014 267 V CA 0.104 62.415 62.300 0.018 0.000 0.831 267 V CB 2.037 33.866 31.823 0.010 0.000 1.000 267 V HN 0.749 nan 8.190 nan 0.000 0.433 268 G N 2.925 111.842 108.800 0.195 0.000 2.663 268 G HA2 0.913 4.873 3.960 -0.000 0.000 0.299 268 G HA3 0.913 4.873 3.960 -0.000 0.000 0.299 268 G C -1.504 173.577 174.900 0.302 0.000 1.372 268 G CA -0.129 45.088 45.100 0.194 0.000 0.781 268 G HN 1.156 nan 8.290 nan 0.000 0.491 269 A N -1.621 121.315 122.820 0.193 0.000 2.547 269 A HA 0.605 4.925 4.320 -0.000 0.000 0.297 269 A C -1.217 176.459 177.584 0.154 0.000 1.056 269 A CA -0.304 51.876 52.037 0.238 0.000 0.688 269 A CB 1.370 20.513 19.000 0.238 0.000 1.282 269 A HN 1.748 nan 8.150 nan 0.000 0.400 270 C N 2.157 121.567 119.300 0.183 0.000 2.271 270 C HA 0.764 5.223 4.460 -0.000 0.000 0.323 270 C C 0.175 175.266 174.990 0.169 0.000 1.245 270 C CA 0.100 59.217 59.018 0.164 0.000 1.548 270 C CB -0.695 27.142 27.740 0.162 0.000 2.214 270 C HN 0.781 nan 8.230 nan 0.000 0.477 271 T N 6.585 121.223 114.554 0.140 0.000 2.771 271 T HA 0.456 4.806 4.350 -0.000 0.000 0.281 271 T C -0.593 174.191 174.700 0.139 0.000 0.982 271 T CA -0.213 61.966 62.100 0.131 0.000 0.978 271 T CB 1.094 70.046 68.868 0.140 0.000 0.930 271 T HN 0.572 nan 8.240 nan 0.000 0.447 272 L N 5.478 126.751 121.223 0.085 0.000 2.282 272 L HA 0.767 5.107 4.340 -0.000 0.000 0.288 272 L C -0.497 176.408 176.870 0.059 0.000 1.033 272 L CA -0.612 54.274 54.840 0.077 0.000 0.807 272 L CB 1.309 43.398 42.059 0.051 0.000 1.209 272 L HN 0.475 nan 8.230 nan 0.000 0.423 273 V N 4.832 124.799 119.914 0.088 0.000 2.680 273 V HA 1.030 5.150 4.120 -0.000 0.000 0.309 273 V C -0.592 175.541 176.094 0.065 0.000 1.052 273 V CA 0.375 62.694 62.300 0.031 0.000 0.908 273 V CB 1.340 33.130 31.823 -0.054 0.000 1.001 273 V HN 1.141 nan 8.190 nan 0.000 0.431 274 A N 4.368 127.209 122.820 0.036 0.000 2.524 274 A HA 0.947 5.267 4.320 -0.000 0.000 0.289 274 A C 1.014 178.616 177.584 0.030 0.000 1.248 274 A CA -0.150 51.924 52.037 0.062 0.000 0.712 274 A CB 0.979 20.030 19.000 0.085 0.000 1.312 274 A HN 2.034 nan 8.150 nan 0.000 0.441 275 A N -0.569 122.274 122.820 0.039 0.000 1.972 275 A HA 0.270 4.590 4.320 -0.000 0.000 0.219 275 A C 0.593 178.179 177.584 0.003 0.000 1.169 275 A CA 2.419 54.468 52.037 0.020 0.000 0.635 275 A CB -0.703 18.312 19.000 0.025 0.000 0.810 275 A HN 1.088 nan 8.150 nan 0.000 0.446 276 D N -4.709 115.695 120.400 0.008 0.000 2.677 276 D HA 0.409 5.049 4.640 -0.000 0.000 0.298 276 D C 0.427 176.728 176.300 0.002 0.000 1.250 276 D CA 0.091 54.091 54.000 -0.001 0.000 0.888 276 D CB 0.312 41.114 40.800 0.004 0.000 1.397 276 D HN -0.181 nan 8.370 nan 0.000 0.461 277 S N -0.487 115.211 115.700 -0.003 0.000 2.368 277 S HA -0.133 4.336 4.470 -0.000 0.000 0.224 277 S C 1.359 175.969 174.600 0.016 0.000 1.029 277 S CA 1.427 59.626 58.200 -0.002 0.000 0.988 277 S CB -0.389 62.808 63.200 -0.005 0.000 0.838 277 S HN 0.558 nan 8.310 nan 0.000 0.462 278 E N 1.273 121.486 120.200 0.021 0.000 2.049 278 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 278 E C 2.328 178.957 176.600 0.048 0.000 1.007 278 E CA 1.912 58.332 56.400 0.033 0.000 0.809 278 E CB -0.884 28.833 29.700 0.028 0.000 0.749 278 E HN 0.437 nan 8.360 nan 0.000 0.450 279 T N 0.078 114.661 114.554 0.049 0.000 2.737 279 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 279 T C 1.998 176.753 174.700 0.091 0.000 1.038 279 T CA 1.146 63.288 62.100 0.069 0.000 1.144 279 T CB -0.489 68.418 68.868 0.065 0.000 0.866 279 T HN 0.049 nan 8.240 nan 0.000 0.434 280 V N 1.917 121.873 119.914 0.070 0.000 2.427 280 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 280 V C 1.947 178.105 176.094 0.106 0.000 1.051 280 V CA 1.959 64.305 62.300 0.076 0.000 1.048 280 V CB -0.553 31.278 31.823 0.014 0.000 0.666 280 V HN 0.356 nan 8.190 nan 0.000 0.456 281 D N -0.323 120.128 120.400 0.084 0.000 2.117 281 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 281 D C 2.255 178.654 176.300 0.166 0.000 0.982 281 D CA 1.516 55.588 54.000 0.119 0.000 0.828 281 D CB -0.322 40.524 40.800 0.076 0.000 0.967 281 D HN 0.425 nan 8.370 nan 0.000 0.464 282 R N 0.578 121.156 120.500 0.130 0.000 2.066 282 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 282 R C 2.097 178.497 176.300 0.166 0.000 1.131 282 R CA 1.425 57.600 56.100 0.126 0.000 0.955 282 R CB -0.175 30.182 30.300 0.096 0.000 0.851 282 R HN 0.107 nan 8.270 nan 0.000 0.432 283 A N 0.372 123.314 122.820 0.203 0.000 1.933 283 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 283 A C 1.962 179.732 177.584 0.308 0.000 1.175 283 A CA 1.173 53.389 52.037 0.299 0.000 0.628 283 A CB -0.783 18.420 19.000 0.339 0.000 0.814 283 A HN 0.506 nan 8.150 nan 0.000 0.444 284 F N 1.383 121.366 119.950 0.054 0.000 2.250 284 F HA -0.045 4.482 4.527 -0.001 0.000 0.301 284 F C 2.272 178.081 175.800 0.015 0.000 1.077 284 F CA 0.903 58.888 58.000 -0.026 0.000 1.348 284 F CB -0.684 38.306 39.000 -0.017 0.000 1.040 284 F HN 0.212 nan 8.300 nan 0.000 0.509 285 G N -0.575 108.280 108.800 0.091 0.000 2.442 285 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 285 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 285 G C 1.519 176.404 174.900 -0.026 0.000 1.141 285 G CA 0.665 45.765 45.100 -0.001 0.000 0.763 285 G HN 0.328 nan 8.290 nan 0.000 0.554 286 Q N -0.595 119.255 119.800 0.083 0.000 2.245 286 Q HA 0.141 4.481 4.340 -0.000 0.000 0.201 286 Q C 2.375 178.484 176.000 0.181 0.000 0.955 286 Q CA 0.569 56.462 55.803 0.150 0.000 0.870 286 Q CB -0.212 28.675 28.738 0.248 0.000 0.945 286 Q HN 0.617 nan 8.270 nan 0.000 0.461 287 M N 0.882 120.493 119.600 0.019 0.000 2.086 287 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 287 M C 1.743 177.879 176.300 -0.273 0.000 1.067 287 M CA 1.586 56.748 55.300 -0.229 0.000 1.116 287 M CB 0.076 32.318 32.600 -0.598 0.000 1.348 287 M HN -0.030 nan 8.290 nan 0.000 0.407 288 K N 0.185 120.333 120.400 -0.420 0.000 2.103 288 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 288 K C 1.995 178.482 176.600 -0.189 0.000 1.048 288 K CA 1.481 57.569 56.287 -0.332 0.000 0.930 288 K CB -0.417 31.882 32.500 -0.334 0.000 0.716 288 K HN 0.476 nan 8.250 nan 0.000 0.444 289 A N 1.662 124.413 122.820 -0.116 0.000 1.902 289 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 289 A C 2.405 179.952 177.584 -0.061 0.000 1.181 289 A CA 1.796 53.792 52.037 -0.069 0.000 0.623 289 A CB -0.632 18.355 19.000 -0.022 0.000 0.818 289 A HN 0.338 nan 8.150 nan 0.000 0.443 290 A N -0.349 122.456 122.820 -0.025 0.000 1.972 290 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 290 A C 2.058 179.583 177.584 -0.098 0.000 1.169 290 A CA 1.548 53.580 52.037 -0.009 0.000 0.635 290 A CB -0.534 18.521 19.000 0.092 0.000 0.810 290 A HN 0.504 nan 8.150 nan 0.000 0.446 291 I N -1.123 119.336 120.570 -0.184 0.000 2.406 291 I HA -0.157 4.012 4.170 -0.000 0.000 0.249 291 I C 2.562 178.441 176.117 -0.397 0.000 1.122 291 I CA 1.068 62.139 61.300 -0.382 0.000 1.431 291 I CB -0.261 37.502 38.000 -0.395 0.000 1.087 291 I HN 0.367 nan 8.210 nan 0.000 0.424 292 R N 1.280 121.632 120.500 -0.247 0.000 2.096 292 R HA -0.238 4.101 4.340 -0.000 0.000 0.240 292 R C 1.136 177.341 176.300 -0.158 0.000 1.139 292 R CA 2.216 58.201 56.100 -0.191 0.000 0.952 292 R CB -0.353 29.867 30.300 -0.133 0.000 0.854 292 R HN 0.288 nan 8.270 nan 0.000 0.436 293 D N -0.445 119.881 120.400 -0.123 0.000 2.363 293 D HA -0.026 4.614 4.640 -0.000 0.000 0.226 293 D C 0.650 176.906 176.300 -0.074 0.000 1.020 293 D CA 0.463 54.415 54.000 -0.079 0.000 0.892 293 D CB 0.009 40.780 40.800 -0.047 0.000 0.900 293 D HN 0.477 nan 8.370 nan 0.000 0.531 294 N N -0.805 117.813 118.700 -0.136 0.000 2.871 294 N HA -0.055 4.685 4.740 -0.000 0.000 0.204 294 N C 0.644 176.117 175.510 -0.062 0.000 1.233 294 N CA -0.215 52.784 53.050 -0.086 0.000 1.124 294 N CB 0.290 38.729 38.487 -0.080 0.000 1.414 294 N HN -0.016 nan 8.380 nan 0.000 0.511 295 Y N -0.826 119.472 120.300 -0.003 0.000 2.481 295 Y HA 0.539 5.089 4.550 -0.001 0.000 0.247 295 Y C 1.233 177.133 175.900 0.001 0.000 1.151 295 Y CA 0.313 58.415 58.100 0.002 0.000 1.238 295 Y CB 0.107 38.571 38.460 0.006 0.000 1.179 295 Y HN 0.318 nan 8.280 nan 0.000 0.524 296 S N 0.648 116.140 115.700 -0.347 0.000 1.411 296 S HA -0.257 4.212 4.470 -0.000 0.000 0.245 296 S C 0.360 174.863 174.600 -0.161 0.000 0.674 296 S CA 1.525 59.595 58.200 -0.217 0.000 1.197 296 S CB -1.944 61.195 63.200 -0.102 0.000 1.384 296 S HN 1.326 nan 8.310 nan 0.000 0.504 297 S N 1.874 117.607 115.700 0.056 0.000 2.570 297 S HA 0.820 5.290 4.470 -0.000 0.000 0.270 297 S C -3.360 171.450 174.600 0.349 0.000 1.149 297 S CA -0.774 57.519 58.200 0.155 0.000 0.837 297 S CB 2.423 65.698 63.200 0.125 0.000 1.124 297 S HN 0.609 nan 8.310 nan 0.000 0.465 298 P HA 0.517 nan 4.420 nan 0.000 0.281 298 P C -2.877 174.437 177.300 0.022 0.000 1.264 298 P CA -1.857 61.323 63.100 0.135 0.000 0.824 298 P CB -0.467 31.272 31.700 0.066 0.000 1.092 299 P HA 0.154 nan 4.420 nan 0.000 0.276 299 P C 0.277 177.526 177.300 -0.085 0.000 1.235 299 P CA -0.119 62.949 63.100 -0.053 0.000 0.772 299 P CB 0.760 32.419 31.700 -0.068 0.000 0.871 300 A N 3.047 125.836 122.820 -0.052 0.000 1.930 300 A HA -0.189 4.130 4.320 -0.000 0.000 0.215 300 A C 2.134 179.670 177.584 -0.080 0.000 1.176 300 A CA 1.522 53.514 52.037 -0.074 0.000 0.632 300 A CB -1.513 17.465 19.000 -0.038 0.000 0.819 300 A HN 0.672 nan 8.150 nan 0.000 0.445 301 H N -0.157 118.845 119.070 -0.114 0.000 2.253 301 H HA -0.070 4.486 4.556 -0.000 0.000 0.296 301 H C 2.227 177.477 175.328 -0.130 0.000 1.074 301 H CA 2.404 58.392 56.048 -0.101 0.000 1.263 301 H CB -0.654 29.064 29.762 -0.075 0.000 1.363 301 H HN 0.318 nan 8.280 nan 0.000 0.489 302 G N -0.312 108.410 108.800 -0.130 0.000 2.442 302 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 302 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 302 G C 1.870 176.566 174.900 -0.339 0.000 1.141 302 G CA 1.021 45.987 45.100 -0.224 0.000 0.763 302 G HN 0.642 nan 8.290 nan 0.000 0.554 303 A N 0.687 123.276 122.820 -0.385 0.000 1.969 303 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 303 A C 2.684 180.073 177.584 -0.324 0.000 1.169 303 A CA 2.089 53.798 52.037 -0.547 0.000 0.635 303 A CB -0.412 18.005 19.000 -0.970 0.000 0.810 303 A HN 0.313 nan 8.150 nan 0.000 0.445 304 S N -0.281 115.251 115.700 -0.279 0.000 2.383 304 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 304 S C 1.860 176.326 174.600 -0.223 0.000 1.026 304 S CA 1.285 59.369 58.200 -0.193 0.000 0.981 304 S CB -0.454 62.655 63.200 -0.151 0.000 0.818 304 S HN 0.337 nan 8.310 nan 0.000 0.472 305 V N 1.668 121.386 119.914 -0.326 0.000 2.255 305 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 305 V C 2.365 178.233 176.094 -0.376 0.000 1.051 305 V CA 1.570 63.679 62.300 -0.318 0.000 1.018 305 V CB -0.764 30.845 31.823 -0.357 0.000 0.641 305 V HN 0.348 nan 8.190 nan 0.000 0.445 306 V N 0.197 119.783 119.914 -0.547 0.000 2.343 306 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 306 V C 2.669 178.432 176.094 -0.551 0.000 1.051 306 V CA 1.998 63.767 62.300 -0.885 0.000 1.036 306 V CB -1.097 29.976 31.823 -1.250 0.000 0.654 306 V HN 0.566 nan 8.190 nan 0.000 0.451 307 A N -0.497 122.153 122.820 -0.282 0.000 1.930 307 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 307 A C 2.393 179.873 177.584 -0.173 0.000 1.175 307 A CA 2.363 54.295 52.037 -0.175 0.000 0.627 307 A CB -0.866 18.112 19.000 -0.037 0.000 0.815 307 A HN 0.497 nan 8.150 nan 0.000 0.443 308 T N 0.398 114.848 114.554 -0.173 0.000 2.708 308 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 308 T C 1.812 176.405 174.700 -0.179 0.000 1.037 308 T CA 1.567 63.566 62.100 -0.168 0.000 1.146 308 T CB -0.400 68.384 68.868 -0.140 0.000 0.865 308 T HN 0.428 nan 8.240 nan 0.000 0.435 309 I N 0.774 121.236 120.570 -0.179 0.000 2.142 309 I HA -0.136 4.034 4.170 -0.000 0.000 0.240 309 I C 2.244 178.293 176.117 -0.114 0.000 1.078 309 I CA 1.336 62.564 61.300 -0.119 0.000 1.343 309 I CB -0.396 37.563 38.000 -0.068 0.000 1.046 309 I HN 0.184 nan 8.210 nan 0.000 0.405 310 L N -0.253 120.855 121.223 -0.192 0.000 2.275 310 L HA -0.136 4.204 4.340 -0.000 0.000 0.215 310 L C 2.354 179.172 176.870 -0.088 0.000 1.119 310 L CA 0.847 55.601 54.840 -0.144 0.000 0.790 310 L CB -0.417 41.506 42.059 -0.227 0.000 0.919 310 L HN 0.183 nan 8.230 nan 0.000 0.443 311 S N -1.001 114.637 115.700 -0.104 0.000 2.501 311 S HA 0.004 4.474 4.470 -0.000 0.000 0.220 311 S C 0.881 175.438 174.600 -0.073 0.000 0.997 311 S CA 0.066 58.217 58.200 -0.082 0.000 0.919 311 S CB -0.131 63.016 63.200 -0.089 0.000 0.778 311 S HN 0.364 nan 8.310 nan 0.000 0.523 312 N N 1.590 120.241 118.700 -0.082 0.000 2.469 312 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 312 N C -0.324 175.165 175.510 -0.035 0.000 0.970 312 N CA -0.117 52.887 53.050 -0.076 0.000 0.940 312 N CB 1.071 39.482 38.487 -0.125 0.000 1.128 312 N HN -0.117 nan 8.380 nan 0.000 0.503 313 D N 3.305 123.691 120.400 -0.023 0.000 2.192 313 D HA -0.236 4.403 4.640 -0.000 0.000 0.189 313 D C 1.512 177.814 176.300 0.003 0.000 1.007 313 D CA 1.959 55.957 54.000 -0.004 0.000 0.859 313 D CB -0.103 40.692 40.800 -0.009 0.000 0.936 313 D HN 0.731 nan 8.370 nan 0.000 0.447 314 A N 0.477 123.291 122.820 -0.009 0.000 1.873 314 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 314 A C 2.502 180.090 177.584 0.008 0.000 1.186 314 A CA 0.772 52.806 52.037 -0.005 0.000 0.616 314 A CB -0.798 18.194 19.000 -0.014 0.000 0.823 314 A HN 0.209 nan 8.150 nan 0.000 0.442 315 L N -1.013 120.210 121.223 -0.000 0.000 2.012 315 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 315 L C 2.880 179.806 176.870 0.094 0.000 1.073 315 L CA 1.762 56.617 54.840 0.024 0.000 0.748 315 L CB -0.395 41.653 42.059 -0.018 0.000 0.891 315 L HN 0.465 nan 8.230 nan 0.000 0.431 316 R N -0.207 120.354 120.500 0.101 0.000 2.091 316 R HA -0.208 4.131 4.340 -0.000 0.000 0.238 316 R C 2.228 178.651 176.300 0.206 0.000 1.136 316 R CA 1.581 57.814 56.100 0.221 0.000 0.959 316 R CB -0.228 30.170 30.300 0.164 0.000 0.856 316 R HN 0.393 nan 8.270 nan 0.000 0.437 317 A N 0.875 123.743 122.820 0.080 0.000 1.930 317 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 317 A C 2.118 179.693 177.584 -0.015 0.000 1.175 317 A CA 1.169 53.212 52.037 0.009 0.000 0.627 317 A CB -0.411 18.584 19.000 -0.008 0.000 0.815 317 A HN 0.331 nan 8.150 nan 0.000 0.443 318 I N -2.115 118.469 120.570 0.024 0.000 2.226 318 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 318 I C 2.443 178.568 176.117 0.014 0.000 1.100 318 I CA 1.783 63.092 61.300 0.014 0.000 1.374 318 I CB -0.380 37.641 38.000 0.036 0.000 1.057 318 I HN 0.771 nan 8.210 nan 0.000 0.413 319 W N 2.291 123.519 121.300 -0.120 0.000 2.379 319 W HA -0.162 4.497 4.660 -0.001 0.000 0.307 319 W C 2.307 178.675 176.519 -0.252 0.000 1.200 319 W CA 1.313 58.535 57.345 -0.205 0.000 1.297 319 W CB -0.376 28.937 29.460 -0.245 0.000 1.140 319 W HN 0.025 nan 8.180 nan 0.000 0.507 320 E N -0.081 119.725 120.200 -0.658 0.000 2.130 320 E HA -0.343 4.006 4.350 -0.000 0.000 0.196 320 E C 1.993 178.227 176.600 -0.609 0.000 0.998 320 E CA 1.829 57.691 56.400 -0.896 0.000 0.806 320 E CB -0.254 29.152 29.700 -0.490 0.000 0.738 320 E HN 0.333 nan 8.360 nan 0.000 0.459 321 Q N 0.975 120.550 119.800 -0.375 0.000 2.187 321 Q HA -0.115 4.224 4.340 -0.000 0.000 0.199 321 Q C 1.516 177.341 176.000 -0.292 0.000 0.957 321 Q CA 1.269 56.907 55.803 -0.276 0.000 0.857 321 Q CB 0.147 28.786 28.738 -0.165 0.000 0.929 321 Q HN 0.240 nan 8.270 nan 0.000 0.453 322 E N -0.317 119.697 120.200 -0.310 0.000 2.110 322 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 322 E C 1.752 178.116 176.600 -0.392 0.000 0.988 322 E CA 1.014 57.252 56.400 -0.269 0.000 0.804 322 E CB -0.128 29.470 29.700 -0.170 0.000 0.745 322 E HN 0.300 nan 8.360 nan 0.000 0.458 323 L N 1.027 121.880 121.223 -0.616 0.000 2.005 323 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 323 L C 2.634 179.152 176.870 -0.586 0.000 1.072 323 L CA 2.508 56.921 54.840 -0.712 0.000 0.744 323 L CB -1.153 40.291 42.059 -1.025 0.000 0.895 323 L HN 0.149 nan 8.230 nan 0.000 0.433 324 T N -2.204 112.057 114.554 -0.489 0.000 2.759 324 T HA -0.211 4.138 4.350 -0.000 0.000 0.269 324 T C 1.655 176.208 174.700 -0.245 0.000 1.042 324 T CA 1.704 63.600 62.100 -0.339 0.000 1.140 324 T CB -0.583 68.126 68.868 -0.265 0.000 0.864 324 T HN 0.451 nan 8.240 nan 0.000 0.455 325 D N 0.799 121.064 120.400 -0.226 0.000 2.123 325 D HA -0.059 4.581 4.640 -0.000 0.000 0.196 325 D C 2.163 178.380 176.300 -0.138 0.000 0.992 325 D CA 1.252 55.167 54.000 -0.142 0.000 0.833 325 D CB -0.442 40.291 40.800 -0.111 0.000 0.954 325 D HN 0.470 nan 8.370 nan 0.000 0.455 326 M N 0.014 119.439 119.600 -0.292 0.000 2.065 326 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 326 M C 2.373 178.607 176.300 -0.109 0.000 1.069 326 M CA 1.331 56.362 55.300 -0.448 0.000 1.110 326 M CB -0.113 32.034 32.600 -0.756 0.000 1.328 326 M HN -0.092 nan 8.290 nan 0.000 0.405 327 R N 0.231 120.627 120.500 -0.173 0.000 2.091 327 R HA -0.197 4.142 4.340 -0.000 0.000 0.238 327 R C 2.016 178.326 176.300 0.017 0.000 1.136 327 R CA 1.842 57.914 56.100 -0.048 0.000 0.959 327 R CB -0.126 30.058 30.300 -0.194 0.000 0.856 327 R HN 0.490 nan 8.270 nan 0.000 0.437 328 Q N -0.470 119.316 119.800 -0.023 0.000 2.123 328 Q HA -0.126 4.213 4.340 -0.000 0.000 0.199 328 Q C 2.209 178.238 176.000 0.048 0.000 0.966 328 Q CA 1.143 56.950 55.803 0.005 0.000 0.845 328 Q CB -0.096 28.629 28.738 -0.022 0.000 0.907 328 Q HN 0.286 nan 8.270 nan 0.000 0.439 329 R N 0.705 121.257 120.500 0.087 0.000 2.096 329 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 329 R C 2.009 178.387 176.300 0.130 0.000 1.127 329 R CA 1.124 57.300 56.100 0.127 0.000 0.968 329 R CB -0.118 30.309 30.300 0.212 0.000 0.861 329 R HN 0.249 nan 8.270 nan 0.000 0.440 330 I N 0.609 121.282 120.570 0.172 0.000 2.315 330 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 330 I C 2.371 178.537 176.117 0.082 0.000 1.117 330 I CA 1.253 62.631 61.300 0.131 0.000 1.404 330 I CB -0.178 37.922 38.000 0.167 0.000 1.071 330 I HN 0.225 nan 8.210 nan 0.000 0.419 331 Q N 0.316 120.163 119.800 0.079 0.000 2.135 331 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 331 Q C 2.364 178.396 176.000 0.053 0.000 0.981 331 Q CA 1.426 57.266 55.803 0.061 0.000 0.856 331 Q CB -0.138 28.629 28.738 0.049 0.000 0.902 331 Q HN 0.456 nan 8.270 nan 0.000 0.425 332 R N -0.443 120.086 120.500 0.050 0.000 2.092 332 R HA -0.035 4.304 4.340 -0.000 0.000 0.231 332 R C 2.128 178.454 176.300 0.044 0.000 1.119 332 R CA 0.993 57.117 56.100 0.041 0.000 0.970 332 R CB -0.057 30.265 30.300 0.035 0.000 0.864 332 R HN 0.265 nan 8.270 nan 0.000 0.440 333 M N 0.703 120.329 119.600 0.043 0.000 2.175 333 M HA -0.107 4.372 4.480 -0.000 0.000 0.264 333 M C 2.162 178.510 176.300 0.079 0.000 1.063 333 M CA 1.577 56.898 55.300 0.035 0.000 1.119 333 M CB -0.738 31.855 32.600 -0.012 0.000 1.377 333 M HN 0.146 nan 8.290 nan 0.000 0.415 334 R N -0.474 120.077 120.500 0.085 0.000 2.081 334 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 334 R C 2.036 178.398 176.300 0.103 0.000 1.131 334 R CA 1.069 57.249 56.100 0.133 0.000 0.960 334 R CB -0.709 29.664 30.300 0.122 0.000 0.856 334 R HN 0.242 nan 8.270 nan 0.000 0.436 335 Q N 1.070 120.907 119.800 0.061 0.000 2.061 335 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 335 Q C 2.161 178.182 176.000 0.036 0.000 0.984 335 Q CA 1.382 57.205 55.803 0.034 0.000 0.846 335 Q CB -0.395 28.358 28.738 0.026 0.000 0.902 335 Q HN 0.339 nan 8.270 nan 0.000 0.421 336 L N 0.220 121.477 121.223 0.057 0.000 2.131 336 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 336 L C 2.076 179.004 176.870 0.097 0.000 1.092 336 L CA 1.446 56.321 54.840 0.058 0.000 0.759 336 L CB -0.646 41.445 42.059 0.053 0.000 0.903 336 L HN 0.150 nan 8.230 nan 0.000 0.435 337 F N -0.377 119.538 119.950 -0.059 0.000 2.084 337 F HA -0.130 4.397 4.527 -0.000 0.000 0.296 337 F C 2.431 178.161 175.800 -0.117 0.000 1.111 337 F CA 1.900 59.844 58.000 -0.093 0.000 1.224 337 F CB -0.967 37.973 39.000 -0.101 0.000 0.991 337 F HN 0.020 nan 8.300 nan 0.000 0.471 338 V N 0.053 119.815 119.914 -0.253 0.000 2.515 338 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 338 V C 1.847 177.841 176.094 -0.165 0.000 1.058 338 V CA 2.473 64.567 62.300 -0.343 0.000 1.064 338 V CB -1.163 30.515 31.823 -0.243 0.000 0.675 338 V HN 0.489 nan 8.190 nan 0.000 0.461 339 N N 0.489 119.140 118.700 -0.081 0.000 2.120 339 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 339 N C 1.835 177.322 175.510 -0.038 0.000 1.024 339 N CA 1.937 54.963 53.050 -0.040 0.000 0.852 339 N CB -0.368 38.111 38.487 -0.014 0.000 1.003 339 N HN 0.530 nan 8.380 nan 0.000 0.424 340 T N 1.153 115.685 114.554 -0.035 0.000 2.867 340 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 340 T C 1.743 176.414 174.700 -0.047 0.000 1.057 340 T CA 0.464 62.553 62.100 -0.018 0.000 1.136 340 T CB -0.107 68.776 68.868 0.025 0.000 0.874 340 T HN 0.038 nan 8.240 nan 0.000 0.466 341 L N 1.393 122.539 121.223 -0.128 0.000 2.042 341 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 341 L C 2.620 179.477 176.870 -0.021 0.000 1.076 341 L CA 1.613 56.365 54.840 -0.146 0.000 0.749 341 L CB -1.077 40.742 42.059 -0.398 0.000 0.893 341 L HN 0.207 nan 8.230 nan 0.000 0.432 342 Q N -0.288 119.509 119.800 -0.004 0.000 2.079 342 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 342 Q C 2.091 178.096 176.000 0.007 0.000 0.974 342 Q CA 1.757 57.573 55.803 0.022 0.000 0.840 342 Q CB 0.020 28.764 28.738 0.009 0.000 0.898 342 Q HN 0.703 nan 8.270 nan 0.000 0.430 343 E N -0.325 119.873 120.200 -0.003 0.000 2.204 343 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 343 E C 1.089 177.690 176.600 0.000 0.000 0.989 343 E CA 0.722 57.121 56.400 -0.001 0.000 0.824 343 E CB 0.211 29.910 29.700 -0.002 0.000 0.756 343 E HN -0.013 nan 8.360 nan 0.000 0.477 344 K N -0.195 120.203 120.400 -0.004 0.000 2.444 344 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 344 K C 0.913 177.513 176.600 0.001 0.000 1.024 344 K CA 0.754 57.038 56.287 -0.005 0.000 1.077 344 K CB 0.838 33.327 32.500 -0.017 0.000 0.833 344 K HN 0.342 nan 8.250 nan 0.000 0.517 345 G N 0.510 109.316 108.800 0.010 0.000 2.143 345 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.175 345 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.175 345 G C 0.019 174.937 174.900 0.030 0.000 1.004 345 G CA -0.099 45.010 45.100 0.015 0.000 0.671 345 G HN 0.371 nan 8.290 nan 0.000 0.512 346 A N 0.768 123.622 122.820 0.058 0.000 2.350 346 A HA 0.622 4.942 4.320 -0.000 0.000 0.293 346 A C 1.275 178.883 177.584 0.041 0.000 1.231 346 A CA 0.586 52.687 52.037 0.108 0.000 0.883 346 A CB -0.348 18.837 19.000 0.308 0.000 1.133 346 A HN 0.902 nan 8.150 nan 0.000 0.533 347 N N 3.834 122.531 118.700 -0.006 0.000 2.048 347 N HA -0.267 4.473 4.740 -0.000 0.000 0.197 347 N C 0.107 175.530 175.510 -0.146 0.000 1.048 347 N CA 1.032 54.048 53.050 -0.057 0.000 0.887 347 N CB -0.732 37.724 38.487 -0.053 0.000 1.081 347 N HN 0.763 nan 8.380 nan 0.000 0.512 348 R N 1.269 121.617 120.500 -0.254 0.000 2.499 348 R HA -0.181 4.159 4.340 -0.000 0.000 0.266 348 R C -0.601 175.356 176.300 -0.571 0.000 0.925 348 R CA 0.534 56.333 56.100 -0.501 0.000 1.060 348 R CB -0.443 29.310 30.300 -0.912 0.000 0.847 348 R HN 0.517 nan 8.270 nan 0.000 0.428 349 D N 1.078 121.241 120.400 -0.394 0.000 2.383 349 D HA 0.037 4.677 4.640 -0.000 0.000 0.252 349 D C -0.516 175.551 176.300 -0.389 0.000 1.166 349 D CA 0.109 53.948 54.000 -0.267 0.000 0.879 349 D CB 0.371 41.120 40.800 -0.086 0.000 1.164 349 D HN 0.365 nan 8.370 nan 0.000 0.462 350 F N 1.455 121.303 119.950 -0.170 0.000 2.775 350 F HA 0.109 4.636 4.527 -0.000 0.000 0.313 350 F C 2.145 177.588 175.800 -0.595 0.000 1.121 350 F CA -0.244 57.444 58.000 -0.520 0.000 1.206 350 F CB -0.181 38.513 39.000 -0.509 0.000 1.052 350 F HN 0.416 nan 8.300 nan 0.000 0.524 351 S N 0.222 115.841 115.700 -0.136 0.000 2.419 351 S HA -0.255 4.215 4.470 -0.000 0.000 0.233 351 S C 2.122 176.684 174.600 -0.064 0.000 1.016 351 S CA 1.248 59.402 58.200 -0.078 0.000 0.974 351 S CB -1.272 61.930 63.200 0.004 0.000 0.786 351 S HN 0.463 nan 8.310 nan 0.000 0.492 352 F N 1.649 121.599 119.950 0.000 0.000 2.250 352 F HA 0.075 4.601 4.527 -0.000 0.000 0.301 352 F C 1.793 177.639 175.800 0.077 0.000 1.077 352 F CA 0.569 58.582 58.000 0.022 0.000 1.348 352 F CB -0.820 38.139 39.000 -0.069 0.000 1.040 352 F HN 0.163 nan 8.300 nan 0.000 0.509 353 I N 0.715 120.991 120.570 -0.491 0.000 2.361 353 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 353 I C 2.307 178.423 176.117 -0.001 0.000 1.133 353 I CA 0.665 61.844 61.300 -0.200 0.000 1.413 353 I CB -0.507 37.279 38.000 -0.357 0.000 1.073 353 I HN 0.185 nan 8.210 nan 0.000 0.424 354 I N 1.635 122.193 120.570 -0.020 0.000 2.361 354 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 354 I C 2.244 178.408 176.117 0.079 0.000 1.133 354 I CA 1.684 63.003 61.300 0.033 0.000 1.413 354 I CB -0.976 37.034 38.000 0.017 0.000 1.073 354 I HN 0.438 nan 8.210 nan 0.000 0.424 355 K N 0.550 121.018 120.400 0.112 0.000 2.374 355 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 355 K C 0.577 177.279 176.600 0.170 0.000 1.023 355 K CA -0.087 56.280 56.287 0.133 0.000 1.103 355 K CB 0.021 32.603 32.500 0.137 0.000 0.848 355 K HN 0.219 nan 8.250 nan 0.000 0.528 356 Q N 2.247 122.164 119.800 0.196 0.000 2.297 356 Q HA 0.083 4.422 4.340 -0.000 0.000 0.267 356 Q C -0.917 175.183 176.000 0.167 0.000 1.006 356 Q CA -0.358 55.577 55.803 0.219 0.000 0.896 356 Q CB 0.761 29.659 28.738 0.267 0.000 1.186 356 Q HN 0.385 nan 8.270 nan 0.000 0.392 357 N N 0.908 119.706 118.700 0.164 0.000 2.489 357 N HA 0.727 5.467 4.740 -0.000 0.000 0.284 357 N C 0.290 175.838 175.510 0.063 0.000 1.158 357 N CA 0.030 53.158 53.050 0.129 0.000 0.965 357 N CB 1.325 39.906 38.487 0.157 0.000 1.195 357 N HN 0.724 nan 8.380 nan 0.000 0.506 358 G N -0.396 108.418 108.800 0.024 0.000 2.445 358 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.212 358 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.212 358 G C 0.056 174.805 174.900 -0.251 0.000 1.217 358 G CA -0.087 44.907 45.100 -0.178 0.000 1.002 358 G HN 0.526 nan 8.290 nan 0.000 0.574 359 M N -0.089 119.144 119.600 -0.612 0.000 2.441 359 M HA 0.372 4.852 4.480 -0.000 0.000 0.244 359 M C -0.067 175.827 176.300 -0.678 0.000 1.122 359 M CA 0.667 55.536 55.300 -0.718 0.000 1.041 359 M CB 0.233 32.200 32.600 -1.055 0.000 1.438 359 M HN 0.221 nan 8.290 nan 0.000 0.484 360 F N -0.879 119.029 119.950 -0.069 0.000 2.575 360 F HA 0.505 5.032 4.527 -0.001 0.000 0.330 360 F C 0.375 176.216 175.800 0.067 0.000 1.056 360 F CA -1.242 56.752 58.000 -0.010 0.000 0.964 360 F CB 1.412 40.410 39.000 -0.003 0.000 1.258 360 F HN -0.336 nan 8.300 nan 0.000 0.484 361 S N 1.302 117.203 115.700 0.334 0.000 2.500 361 S HA 0.701 5.170 4.470 -0.000 0.000 0.301 361 S C -1.729 173.118 174.600 0.411 0.000 1.092 361 S CA -0.367 58.037 58.200 0.340 0.000 1.030 361 S CB 0.511 63.913 63.200 0.336 0.000 1.031 361 S HN 0.451 nan 8.310 nan 0.000 0.483 362 F N 3.788 123.898 119.950 0.266 0.000 2.539 362 F HA 0.568 5.094 4.527 -0.001 0.000 0.318 362 F C 0.546 176.587 175.800 0.403 0.000 1.135 362 F CA -0.315 57.825 58.000 0.234 0.000 0.915 362 F CB 1.806 40.881 39.000 0.125 0.000 1.176 362 F HN 0.659 nan 8.300 nan 0.000 0.440 363 S N 2.746 118.411 115.700 -0.060 0.000 3.386 363 S HA 0.653 5.123 4.470 -0.000 0.000 0.181 363 S C 0.808 175.326 174.600 -0.137 0.000 0.763 363 S CA 0.294 58.612 58.200 0.197 0.000 0.847 363 S CB 0.535 63.989 63.200 0.423 0.000 0.980 363 S HN 1.154 nan 8.310 nan 0.000 0.676 364 G N 0.842 109.552 108.800 -0.150 0.000 5.413 364 G HA2 0.312 4.272 3.960 -0.000 0.000 0.206 364 G HA3 0.312 4.272 3.960 -0.000 0.000 0.206 364 G C -0.443 174.419 174.900 -0.063 0.000 0.794 364 G CA -0.698 44.320 45.100 -0.136 0.000 0.751 364 G HN 0.349 nan 8.290 nan 0.000 0.334 365 L N 2.480 123.658 121.223 -0.074 0.000 2.456 365 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 365 L C 1.526 178.386 176.870 -0.016 0.000 1.189 365 L CA 0.017 54.846 54.840 -0.018 0.000 0.846 365 L CB 0.752 42.807 42.059 -0.007 0.000 1.111 365 L HN 0.363 nan 8.230 nan 0.000 0.475 366 T N -0.962 113.596 114.554 0.006 0.000 2.816 366 T HA 0.139 4.488 4.350 -0.000 0.000 0.282 366 T C 0.898 175.606 174.700 0.013 0.000 0.993 366 T CA -0.809 61.298 62.100 0.012 0.000 0.994 366 T CB 1.400 70.278 68.868 0.017 0.000 1.025 366 T HN 0.565 nan 8.240 nan 0.000 0.529 367 K N 0.590 120.999 120.400 0.014 0.000 2.113 367 K HA -0.173 4.146 4.320 -0.000 0.000 0.208 367 K C 1.980 178.585 176.600 0.007 0.000 1.047 367 K CA 1.772 58.066 56.287 0.010 0.000 0.928 367 K CB -0.510 31.996 32.500 0.010 0.000 0.716 367 K HN 0.708 nan 8.250 nan 0.000 0.446 368 E N 0.458 120.664 120.200 0.011 0.000 2.051 368 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 368 E C 2.137 178.747 176.600 0.017 0.000 0.991 368 E CA 1.687 58.094 56.400 0.012 0.000 0.799 368 E CB -0.089 29.619 29.700 0.014 0.000 0.748 368 E HN 0.435 nan 8.360 nan 0.000 0.449 369 Q N -0.178 119.635 119.800 0.022 0.000 2.079 369 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 369 Q C 2.285 178.301 176.000 0.027 0.000 0.974 369 Q CA 1.362 57.184 55.803 0.032 0.000 0.840 369 Q CB -0.092 28.665 28.738 0.032 0.000 0.898 369 Q HN 0.149 nan 8.270 nan 0.000 0.430 370 V N 1.325 121.247 119.914 0.013 0.000 2.287 370 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 370 V C 2.186 178.264 176.094 -0.028 0.000 1.053 370 V CA 1.694 63.992 62.300 -0.003 0.000 1.027 370 V CB -0.534 31.288 31.823 -0.002 0.000 0.646 370 V HN 0.364 nan 8.190 nan 0.000 0.447 371 L N -0.467 120.742 121.223 -0.023 0.000 2.141 371 L HA -0.170 4.169 4.340 -0.000 0.000 0.209 371 L C 2.686 179.535 176.870 -0.035 0.000 1.094 371 L CA 1.786 56.600 54.840 -0.043 0.000 0.763 371 L CB -0.562 41.481 42.059 -0.027 0.000 0.908 371 L HN 0.294 nan 8.230 nan 0.000 0.437 372 R N 0.101 120.605 120.500 0.008 0.000 2.092 372 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 372 R C 2.231 178.602 176.300 0.119 0.000 1.119 372 R CA 1.054 57.181 56.100 0.044 0.000 0.970 372 R CB -0.174 30.172 30.300 0.076 0.000 0.864 372 R HN 0.116 nan 8.270 nan 0.000 0.440 373 L N 1.094 122.393 121.223 0.126 0.000 2.079 373 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 373 L C 2.374 179.308 176.870 0.106 0.000 1.081 373 L CA 1.764 56.723 54.840 0.199 0.000 0.752 373 L CB -0.705 41.393 42.059 0.065 0.000 0.896 373 L HN 0.210 nan 8.230 nan 0.000 0.433 374 R N -1.022 119.422 120.500 -0.094 0.000 2.055 374 R HA -0.107 4.233 4.340 -0.000 0.000 0.226 374 R C 2.303 178.502 176.300 -0.168 0.000 1.135 374 R CA 1.233 57.137 56.100 -0.326 0.000 0.959 374 R CB -0.150 29.858 30.300 -0.486 0.000 0.854 374 R HN 0.321 nan 8.270 nan 0.000 0.431 375 E N 0.070 120.203 120.200 -0.112 0.000 2.072 375 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 375 E C 1.576 178.099 176.600 -0.127 0.000 0.985 375 E CA 1.142 57.489 56.400 -0.088 0.000 0.801 375 E CB 0.217 29.874 29.700 -0.072 0.000 0.750 375 E HN 0.347 nan 8.360 nan 0.000 0.452 376 E N -1.472 118.615 120.200 -0.188 0.000 2.216 376 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 376 E C 0.956 177.145 176.600 -0.685 0.000 0.973 376 E CA 0.344 56.464 56.400 -0.467 0.000 0.851 376 E CB 0.292 29.622 29.700 -0.616 0.000 0.804 376 E HN 0.175 nan 8.360 nan 0.000 0.477 377 F N -1.327 118.621 119.950 -0.003 0.000 2.767 377 F HA 0.317 4.843 4.527 -0.000 0.000 0.323 377 F C 1.222 177.054 175.800 0.053 0.000 1.091 377 F CA 0.240 58.253 58.000 0.021 0.000 1.192 377 F CB 1.494 40.506 39.000 0.020 0.000 1.056 377 F HN 0.046 nan 8.300 nan 0.000 0.571 378 G N 1.691 110.597 108.800 0.176 0.000 2.225 378 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.267 378 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.267 378 G C -0.171 174.960 174.900 0.385 0.000 1.024 378 G CA 0.285 45.545 45.100 0.268 0.000 0.784 378 G HN 0.176 nan 8.290 nan 0.000 0.507 379 V N 0.415 120.480 119.914 0.252 0.000 2.370 379 V HA 0.516 4.636 4.120 -0.000 0.000 0.279 379 V C -0.252 175.929 176.094 0.145 0.000 1.029 379 V CA -0.829 61.620 62.300 0.248 0.000 0.870 379 V CB 1.146 33.055 31.823 0.143 0.000 0.984 379 V HN 0.229 nan 8.190 nan 0.000 0.451 380 Y N 3.633 124.009 120.300 0.126 0.000 2.417 380 Y HA 0.697 5.247 4.550 -0.000 0.000 0.336 380 Y C 0.511 176.430 175.900 0.032 0.000 0.961 380 Y CA -0.299 57.861 58.100 0.100 0.000 1.215 380 Y CB 1.474 40.028 38.460 0.157 0.000 1.120 380 Y HN 0.735 nan 8.280 nan 0.000 0.499 381 A N 2.488 125.363 122.820 0.092 0.000 2.288 381 A HA 0.794 5.114 4.320 -0.000 0.000 0.328 381 A C -0.683 176.938 177.584 0.062 0.000 1.123 381 A CA -0.757 51.320 52.037 0.067 0.000 0.861 381 A CB 0.707 19.732 19.000 0.042 0.000 1.272 381 A HN 0.431 nan 8.150 nan 0.000 0.490 382 V N 0.940 120.881 119.914 0.045 0.000 2.924 382 V HA 0.265 4.385 4.120 -0.000 0.000 0.305 382 V C 1.856 177.965 176.094 0.026 0.000 1.073 382 V CA 0.746 63.062 62.300 0.026 0.000 1.098 382 V CB 1.052 32.867 31.823 -0.014 0.000 1.000 382 V HN 1.191 nan 8.190 nan 0.000 0.484 383 A N 3.250 126.079 122.820 0.016 0.000 1.986 383 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 383 A C 2.267 179.871 177.584 0.032 0.000 1.171 383 A CA 2.227 54.273 52.037 0.015 0.000 0.640 383 A CB -0.680 18.322 19.000 0.003 0.000 0.811 383 A HN 1.144 nan 8.150 nan 0.000 0.451 384 S N -2.003 113.728 115.700 0.052 0.000 2.555 384 S HA 0.313 4.782 4.470 -0.000 0.000 0.230 384 S C 1.494 176.185 174.600 0.152 0.000 0.978 384 S CA 1.184 59.457 58.200 0.123 0.000 0.934 384 S CB -0.423 62.868 63.200 0.151 0.000 0.766 384 S HN 1.992 nan 8.310 nan 0.000 0.533 385 G N 1.082 109.933 108.800 0.085 0.000 2.175 385 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.244 385 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.244 385 G C 0.083 175.043 174.900 0.099 0.000 0.982 385 G CA -0.016 45.105 45.100 0.035 0.000 0.641 385 G HN 0.691 nan 8.290 nan 0.000 0.527 386 R N 0.416 121.027 120.500 0.186 0.000 2.442 386 R HA 0.482 4.821 4.340 -0.000 0.000 0.291 386 R C -0.470 175.893 176.300 0.105 0.000 1.069 386 R CA -0.030 56.181 56.100 0.184 0.000 1.022 386 R CB 0.630 30.920 30.300 -0.017 0.000 0.976 386 R HN 0.076 nan 8.270 nan 0.000 0.443 387 V N 4.606 124.617 119.914 0.162 0.000 2.495 387 V HA 0.099 4.219 4.120 -0.000 0.000 0.298 387 V C -0.158 176.069 176.094 0.223 0.000 1.031 387 V CA -0.954 61.416 62.300 0.118 0.000 0.871 387 V CB 1.732 33.564 31.823 0.015 0.000 0.988 387 V HN 0.730 nan 8.190 nan 0.000 0.432 388 N N 3.911 122.718 118.700 0.178 0.000 2.421 388 N HA 0.084 4.824 4.740 -0.000 0.000 0.260 388 N C 0.835 176.279 175.510 -0.110 0.000 1.173 388 N CA 0.152 53.272 53.050 0.116 0.000 0.960 388 N CB 1.147 39.676 38.487 0.070 0.000 1.273 388 N HN 0.420 nan 8.380 nan 0.000 0.497 389 V N 2.899 122.727 119.914 -0.142 0.000 2.594 389 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 389 V C 2.088 178.076 176.094 -0.178 0.000 1.069 389 V CA 2.090 64.266 62.300 -0.206 0.000 1.082 389 V CB -0.873 30.881 31.823 -0.116 0.000 0.680 389 V HN 0.743 nan 8.190 nan 0.000 0.469 390 A N 0.259 122.970 122.820 -0.181 0.000 2.168 390 A HA 0.119 4.438 4.320 -0.000 0.000 0.215 390 A C 2.171 179.604 177.584 -0.252 0.000 1.152 390 A CA 1.217 53.151 52.037 -0.170 0.000 0.716 390 A CB -0.535 18.402 19.000 -0.106 0.000 0.794 390 A HN 0.540 nan 8.150 nan 0.000 0.465 391 G N -1.091 107.581 108.800 -0.213 0.000 3.042 391 G HA2 0.321 4.281 3.960 -0.000 0.000 0.212 391 G HA3 0.321 4.281 3.960 -0.000 0.000 0.212 391 G C 0.529 175.315 174.900 -0.191 0.000 1.166 391 G CA -0.306 44.668 45.100 -0.210 0.000 0.767 391 G HN 0.442 nan 8.290 nan 0.000 0.546 392 M N 1.716 121.200 119.600 -0.193 0.000 2.249 392 M HA 0.418 4.898 4.480 -0.000 0.000 0.351 392 M C 0.310 176.534 176.300 -0.128 0.000 1.180 392 M CA -0.116 55.084 55.300 -0.167 0.000 1.127 392 M CB 1.710 34.184 32.600 -0.210 0.000 1.546 392 M HN 0.103 nan 8.290 nan 0.000 0.461 393 T N -1.075 113.425 114.554 -0.090 0.000 2.901 393 T HA 0.494 4.843 4.350 -0.000 0.000 0.293 393 T C -2.545 172.136 174.700 -0.033 0.000 1.084 393 T CA -1.838 60.225 62.100 -0.062 0.000 1.008 393 T CB 1.748 70.581 68.868 -0.058 0.000 1.170 393 T HN 0.280 nan 8.240 nan 0.000 0.509 394 P HA -0.019 nan 4.420 nan 0.000 0.221 394 P C 0.694 177.993 177.300 -0.001 0.000 1.145 394 P CA 0.922 64.020 63.100 -0.003 0.000 0.795 394 P CB 0.075 31.776 31.700 0.001 0.000 0.775 395 D N -1.415 118.982 120.400 -0.005 0.000 2.249 395 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 395 D C 1.381 177.683 176.300 0.004 0.000 0.962 395 D CA 0.907 54.908 54.000 0.001 0.000 0.860 395 D CB -0.457 40.343 40.800 0.001 0.000 0.955 395 D HN 0.320 nan 8.370 nan 0.000 0.505 396 N N -0.070 118.627 118.700 -0.005 0.000 2.299 396 N HA -0.024 4.716 4.740 -0.000 0.000 0.187 396 N C 1.497 177.006 175.510 -0.002 0.000 1.099 396 N CA 0.119 53.169 53.050 0.001 0.000 0.867 396 N CB -0.270 38.214 38.487 -0.005 0.000 0.974 396 N HN -0.050 nan 8.380 nan 0.000 0.477 397 M N 0.961 120.560 119.600 -0.003 0.000 2.108 397 M HA 0.107 4.587 4.480 -0.000 0.000 0.261 397 M C 1.873 178.191 176.300 0.030 0.000 1.066 397 M CA 1.387 56.695 55.300 0.014 0.000 1.107 397 M CB -0.549 32.066 32.600 0.026 0.000 1.356 397 M HN 0.297 nan 8.290 nan 0.000 0.406 398 A N 0.710 123.543 122.820 0.022 0.000 1.841 398 A HA -0.036 4.283 4.320 -0.000 0.000 0.214 398 A C -0.257 177.336 177.584 0.014 0.000 1.195 398 A CA 1.543 53.592 52.037 0.020 0.000 0.611 398 A CB -2.299 16.711 19.000 0.018 0.000 0.835 398 A HN 0.478 nan 8.150 nan 0.000 0.443 399 P HA -0.172 nan 4.420 nan 0.000 0.216 399 P C 1.879 179.179 177.300 -0.001 0.000 1.150 399 P CA 1.396 64.511 63.100 0.024 0.000 0.837 399 P CB -0.323 31.407 31.700 0.050 0.000 0.786 400 L N -1.058 120.169 121.223 0.006 0.000 2.056 400 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 400 L C 1.993 178.854 176.870 -0.015 0.000 1.078 400 L CA 2.032 56.867 54.840 -0.007 0.000 0.749 400 L CB -1.467 40.581 42.059 -0.017 0.000 0.901 400 L HN -0.045 nan 8.230 nan 0.000 0.433 401 C N 0.882 120.196 119.300 0.022 0.000 2.440 401 C HA -0.069 4.390 4.460 -0.000 0.000 0.278 401 C C 2.588 177.538 174.990 -0.067 0.000 1.295 401 C CA 0.760 59.790 59.018 0.020 0.000 1.738 401 C CB -0.731 27.032 27.740 0.038 0.000 1.987 401 C HN 0.602 nan 8.230 nan 0.000 0.492 402 E N 1.182 121.331 120.200 -0.085 0.000 2.051 402 E HA -0.166 4.183 4.350 -0.000 0.000 0.192 402 E C 2.410 178.811 176.600 -0.332 0.000 0.991 402 E CA 1.341 57.659 56.400 -0.137 0.000 0.799 402 E CB -0.266 29.387 29.700 -0.079 0.000 0.748 402 E HN 0.651 nan 8.360 nan 0.000 0.449 403 A N 1.394 123.931 122.820 -0.471 0.000 1.873 403 A HA -0.233 4.086 4.320 -0.000 0.000 0.218 403 A C 2.205 179.444 177.584 -0.575 0.000 1.193 403 A CA 1.460 52.924 52.037 -0.956 0.000 0.629 403 A CB -0.782 17.896 19.000 -0.538 0.000 0.826 403 A HN 0.169 nan 8.150 nan 0.000 0.447 404 I N -0.553 119.862 120.570 -0.258 0.000 2.163 404 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 404 I C 1.327 177.376 176.117 -0.112 0.000 1.085 404 I CA 0.438 61.660 61.300 -0.130 0.000 1.347 404 I CB -0.490 37.486 38.000 -0.040 0.000 1.044 404 I HN 0.111 nan 8.210 nan 0.000 0.408 408 V N -0.582 119.330 119.914 -0.003 0.000 3.660 408 V HA 0.478 4.597 4.120 -0.000 0.000 0.276 408 V C 0.887 177.009 176.094 0.048 0.000 1.317 408 V CA 0.060 62.394 62.300 0.056 0.000 1.097 408 V CB -0.713 31.148 31.823 0.065 0.000 0.863 408 V HN 0.341 nan 8.190 nan 0.000 0.438 409 L N 0.000 121.248 121.223 0.042 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.877 54.840 0.062 0.000 0.813 409 L CB 0.000 42.110 42.059 0.085 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502