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 1jsw_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSNNIRIEED LLGTREVPAD AYYGVHTLRA IENFYISNNK ISDIPEFVRG DATA SEQUENCE MVMVKKAAAM ANKELQTIPK SVANAIIAAC DEVLNNGKCM DQFPVDVYQG DATA SEQUENCE GAGTSVNMNT NEVLANIGLE LMGHQKGEYQ YLNPNDHVNK CQSTNDAYPT DATA SEQUENCE GFRIAVYSSL IKLVDAINQL REGFERKAVE FQDILKMGRT QLQDAVPMTL DATA SEQUENCE GQEFRAFSIL LKEEVKNIQR TAELLLEVNL GATAIGTGLN TPKEYSPLAV DATA SEQUENCE KKLAEVTGFP CVPAEDLIEA TSDCGAYVMV HGALKRLAVK MSKICNDLRL DATA SEQUENCE LSSGPRAGLN EINLPELQAG SSIMPAKVNP VVPEVVNQVC FKVIGNDTTV DATA SEQUENCE TMAAEAGQLQ LNVMEPVIGQ AMFESVHILT NACYNLLEKC INGITANKEV DATA SEQUENCE CEGYVYNSIG IVTYLNPFIG HHNGDIVGKI CAETGKSVRE VVLERGLLTE DATA SEQUENCE AELDDIFSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 S N 1.772 117.472 115.700 0.001 0.000 2.667 2 S HA 0.299 4.770 4.470 0.001 0.000 0.251 2 S C -0.348 174.251 174.600 -0.003 0.000 1.075 2 S CA -0.390 57.809 58.200 -0.002 0.000 1.130 2 S CB -1.520 61.677 63.200 -0.005 0.000 0.795 2 S HN 0.505 nan 8.310 nan 0.000 0.462 3 N N 4.376 123.076 118.700 0.000 0.000 2.670 3 N HA 0.127 4.867 4.740 0.001 0.000 0.296 3 N C -0.776 174.731 175.510 -0.005 0.000 1.216 3 N CA -0.041 53.008 53.050 -0.001 0.000 1.123 3 N CB -0.530 37.959 38.487 0.003 0.000 1.459 3 N HN 0.285 nan 8.380 nan 0.000 0.509 4 N N 1.281 119.976 118.700 -0.008 0.000 3.886 4 N HA -0.133 4.607 4.740 0.001 0.000 0.294 4 N C -1.015 174.482 175.510 -0.021 0.000 2.109 4 N CA 0.677 53.718 53.050 -0.013 0.000 2.630 4 N CB -0.328 38.151 38.487 -0.013 0.000 0.502 4 N HN 0.447 nan 8.380 nan 0.000 0.624 5 I N -1.637 118.918 120.570 -0.025 0.000 2.913 5 I HA 0.546 4.716 4.170 0.001 0.000 0.302 5 I C -0.004 176.092 176.117 -0.035 0.000 1.246 5 I CA -0.848 60.430 61.300 -0.036 0.000 1.010 5 I CB 2.140 40.119 38.000 -0.035 0.000 1.259 5 I HN 0.535 nan 8.210 nan 0.000 0.434 6 R N 4.415 124.887 120.500 -0.047 0.000 2.459 6 R HA 0.559 4.899 4.340 0.001 0.000 0.281 6 R C -1.298 174.985 176.300 -0.029 0.000 1.050 6 R CA -0.527 55.553 56.100 -0.034 0.000 1.055 6 R CB 1.702 31.977 30.300 -0.041 0.000 1.045 6 R HN 0.894 nan 8.270 nan 0.000 0.495 7 I N 2.966 123.529 120.570 -0.011 0.000 2.331 7 I HA 0.252 4.422 4.170 0.001 0.000 0.292 7 I C -0.584 175.522 176.117 -0.017 0.000 0.998 7 I CA -0.254 61.038 61.300 -0.013 0.000 1.267 7 I CB 0.925 38.923 38.000 -0.005 0.000 1.386 7 I HN 0.724 nan 8.210 nan 0.000 0.476 8 E N 5.878 126.061 120.200 -0.028 0.000 2.378 8 E HA 0.458 4.809 4.350 0.001 0.000 0.265 8 E C -1.498 175.081 176.600 -0.034 0.000 0.932 8 E CA -0.853 55.526 56.400 -0.035 0.000 0.795 8 E CB 2.572 32.253 29.700 -0.032 0.000 1.296 8 E HN 0.575 nan 8.360 nan 0.000 0.438 9 E N 1.910 122.086 120.200 -0.040 0.000 2.311 9 E HA 0.106 4.457 4.350 0.001 0.000 0.281 9 E C -1.616 174.968 176.600 -0.025 0.000 0.905 9 E CA -0.557 55.823 56.400 -0.034 0.000 0.778 9 E CB 1.143 30.817 29.700 -0.044 0.000 1.240 9 E HN 0.566 nan 8.360 nan 0.000 0.410 10 D N 4.019 124.413 120.400 -0.010 0.000 2.564 10 D HA 0.099 4.740 4.640 0.001 0.000 0.273 10 D C 1.304 177.602 176.300 -0.003 0.000 1.192 10 D CA -0.532 53.470 54.000 0.004 0.000 1.080 10 D CB 0.590 41.407 40.800 0.029 0.000 1.160 10 D HN 0.346 nan 8.370 nan 0.000 0.607 11 L N -0.895 120.331 121.223 0.006 0.000 2.127 11 L HA -0.094 4.246 4.340 0.001 0.000 0.211 11 L C 1.581 178.449 176.870 -0.003 0.000 1.089 11 L CA 1.015 55.855 54.840 0.000 0.000 0.757 11 L CB -1.645 40.419 42.059 0.009 0.000 0.899 11 L HN 0.363 nan 8.230 nan 0.000 0.434 12 L N 0.353 121.575 121.223 -0.002 0.000 2.583 12 L HA 0.376 4.716 4.340 0.001 0.000 0.239 12 L C 1.206 178.068 176.870 -0.014 0.000 1.347 12 L CA 0.365 55.200 54.840 -0.009 0.000 1.246 12 L CB -0.780 41.271 42.059 -0.012 0.000 1.496 12 L HN 0.390 nan 8.230 nan 0.000 0.413 13 G N 0.089 108.880 108.800 -0.015 0.000 2.601 13 G HA2 -0.305 3.656 3.960 0.001 0.000 0.261 13 G HA3 -0.305 3.656 3.960 0.001 0.000 0.261 13 G C 0.098 174.985 174.900 -0.021 0.000 1.289 13 G CA -0.041 45.048 45.100 -0.018 0.000 0.920 13 G HN 0.513 nan 8.290 nan 0.000 0.571 14 T N -1.126 113.415 114.554 -0.022 0.000 2.943 14 T HA 0.762 5.112 4.350 0.001 0.000 0.284 14 T C 0.059 174.746 174.700 -0.022 0.000 1.015 14 T CA 0.013 62.099 62.100 -0.023 0.000 1.042 14 T CB 1.648 70.502 68.868 -0.023 0.000 1.055 14 T HN 0.946 nan 8.240 nan 0.000 0.500 15 R N 0.813 121.300 120.500 -0.022 0.000 2.781 15 R HA 0.496 4.837 4.340 0.001 0.000 0.269 15 R C -1.452 174.835 176.300 -0.023 0.000 1.025 15 R CA -0.684 55.403 56.100 -0.022 0.000 0.914 15 R CB 1.644 31.931 30.300 -0.021 0.000 1.236 15 R HN 0.796 nan 8.270 nan 0.000 0.465 16 E N 0.485 120.671 120.200 -0.023 0.000 2.158 16 E HA 0.465 4.815 4.350 0.001 0.000 0.271 16 E C -1.194 175.386 176.600 -0.034 0.000 0.911 16 E CA -0.904 55.480 56.400 -0.027 0.000 0.767 16 E CB 2.561 32.248 29.700 -0.022 0.000 1.120 16 E HN 0.221 nan 8.360 nan 0.000 0.405 17 V N 3.803 123.684 119.914 -0.056 0.000 2.628 17 V HA 0.443 4.563 4.120 0.001 0.000 0.306 17 V C -2.629 173.395 176.094 -0.117 0.000 1.045 17 V CA -2.810 59.432 62.300 -0.095 0.000 0.905 17 V CB 1.922 33.664 31.823 -0.134 0.000 0.997 17 V HN 0.478 nan 8.190 nan 0.000 0.436 18 P HA 0.103 nan 4.420 nan 0.000 0.260 18 P C 0.568 177.777 177.300 -0.152 0.000 1.185 18 P CA 0.867 63.901 63.100 -0.110 0.000 0.763 18 P CB 0.841 32.487 31.700 -0.089 0.000 0.776 19 A N 5.644 128.399 122.820 -0.108 0.000 1.859 19 A HA -0.282 4.038 4.320 0.001 0.000 0.218 19 A C 1.826 179.307 177.584 -0.173 0.000 1.209 19 A CA 2.279 54.242 52.037 -0.122 0.000 0.639 19 A CB -1.366 17.584 19.000 -0.083 0.000 0.835 19 A HN 0.587 nan 8.150 nan 0.000 0.450 20 D N 1.070 121.393 120.400 -0.127 0.000 2.154 20 D HA -0.153 4.487 4.640 0.001 0.000 0.190 20 D C 1.277 177.471 176.300 -0.176 0.000 1.003 20 D CA 1.302 55.229 54.000 -0.120 0.000 0.849 20 D CB -1.296 39.499 40.800 -0.007 0.000 0.942 20 D HN 0.569 nan 8.370 nan 0.000 0.446 21 A N 0.300 123.032 122.820 -0.147 0.000 2.563 21 A HA -0.061 4.259 4.320 0.001 0.000 0.256 21 A C 0.230 177.650 177.584 -0.274 0.000 1.056 21 A CA 0.065 51.954 52.037 -0.246 0.000 0.775 21 A CB -0.407 18.106 19.000 -0.811 0.000 0.973 21 A HN 0.184 nan 8.150 nan 0.000 0.516 22 Y N 1.565 121.789 120.300 -0.126 0.000 2.519 22 Y HA -0.013 4.537 4.550 0.001 0.000 0.287 22 Y C 1.007 176.862 175.900 -0.075 0.000 1.128 22 Y CA 0.851 58.910 58.100 -0.068 0.000 1.282 22 Y CB -0.642 37.823 38.460 0.009 0.000 1.027 22 Y HN 0.801 nan 8.280 nan 0.000 0.551 23 Y N 0.115 120.460 120.300 0.076 0.000 2.573 23 Y HA 0.536 5.087 4.550 0.001 0.000 0.346 23 Y C 1.001 176.912 175.900 0.019 0.000 1.198 23 Y CA -1.348 56.747 58.100 -0.008 0.000 1.627 23 Y CB -0.761 37.679 38.460 -0.034 0.000 1.457 23 Y HN 0.053 nan 8.280 nan 0.000 0.483 24 G N 2.159 110.977 108.800 0.029 0.000 2.196 24 G HA2 -0.053 3.907 3.960 0.001 0.000 0.448 24 G HA3 -0.053 3.907 3.960 0.001 0.000 0.448 24 G C 0.983 175.913 174.900 0.051 0.000 1.369 24 G CA 0.449 45.550 45.100 0.001 0.000 1.136 24 G HN 0.553 nan 8.290 nan 0.000 0.607 25 V N -0.264 119.678 119.914 0.046 0.000 2.239 25 V HA -0.329 3.791 4.120 0.001 0.000 0.246 25 V C 2.275 178.430 176.094 0.101 0.000 1.037 25 V CA 2.963 65.297 62.300 0.056 0.000 1.012 25 V CB -1.489 30.363 31.823 0.048 0.000 0.650 25 V HN 0.841 nan 8.190 nan 0.000 0.467 26 H N 0.559 119.651 119.070 0.036 0.000 2.275 26 H HA -0.276 4.280 4.556 0.001 0.000 0.287 26 H C 2.368 177.738 175.328 0.070 0.000 1.097 26 H CA 3.115 59.191 56.048 0.046 0.000 1.169 26 H CB -0.732 29.059 29.762 0.049 0.000 1.349 26 H HN 0.485 nan 8.280 nan 0.000 0.501 27 T N 2.003 116.729 114.554 0.286 0.000 2.685 27 T HA -0.216 4.135 4.350 0.001 0.000 0.268 27 T C 2.146 176.950 174.700 0.174 0.000 1.034 27 T CA 1.336 63.577 62.100 0.235 0.000 1.149 27 T CB -0.462 68.563 68.868 0.262 0.000 0.860 27 T HN 0.295 nan 8.240 nan 0.000 0.449 28 L N 1.675 123.022 121.223 0.206 0.000 1.989 28 L HA -0.152 4.188 4.340 0.001 0.000 0.211 28 L C 2.442 179.337 176.870 0.042 0.000 1.071 28 L CA 1.932 56.874 54.840 0.171 0.000 0.749 28 L CB -0.762 41.365 42.059 0.113 0.000 0.890 28 L HN 0.312 nan 8.230 nan 0.000 0.431 29 R N 0.281 120.765 120.500 -0.028 0.000 2.080 29 R HA -0.162 4.179 4.340 0.001 0.000 0.236 29 R C 2.332 178.537 176.300 -0.159 0.000 1.137 29 R CA 1.573 57.606 56.100 -0.111 0.000 0.943 29 R CB -0.926 29.270 30.300 -0.174 0.000 0.846 29 R HN 0.499 nan 8.270 nan 0.000 0.431 30 A N 1.728 124.446 122.820 -0.170 0.000 1.927 30 A HA -0.217 4.104 4.320 0.001 0.000 0.220 30 A C 2.269 179.830 177.584 -0.038 0.000 1.185 30 A CA 1.706 53.679 52.037 -0.106 0.000 0.639 30 A CB -0.736 18.301 19.000 0.062 0.000 0.820 30 A HN 0.265 nan 8.150 nan 0.000 0.451 31 I N -0.047 120.526 120.570 0.006 0.000 2.163 31 I HA -0.303 3.867 4.170 0.001 0.000 0.243 31 I C 2.602 178.728 176.117 0.014 0.000 1.085 31 I CA 1.860 63.178 61.300 0.031 0.000 1.347 31 I CB -0.430 37.583 38.000 0.022 0.000 1.044 31 I HN 0.481 nan 8.210 nan 0.000 0.408 32 E N 0.574 120.746 120.200 -0.046 0.000 2.028 32 E HA -0.156 4.195 4.350 0.001 0.000 0.190 32 E C 1.730 178.308 176.600 -0.036 0.000 0.984 32 E CA 0.931 57.298 56.400 -0.055 0.000 0.800 32 E CB -0.640 29.006 29.700 -0.090 0.000 0.758 32 E HN 0.495 nan 8.360 nan 0.000 0.448 33 N N 0.697 119.223 118.700 -0.289 0.000 2.187 33 N HA -0.162 4.579 4.740 0.001 0.000 0.194 33 N C -0.023 174.992 175.510 -0.826 0.000 1.002 33 N CA 1.163 53.812 53.050 -0.669 0.000 0.882 33 N CB -0.200 37.545 38.487 -1.236 0.000 1.003 33 N HN 0.090 nan 8.380 nan 0.000 0.443 34 F N -0.135 119.897 119.950 0.137 0.000 2.553 34 F HA 0.252 4.780 4.527 0.000 0.000 0.335 34 F C -0.783 175.109 175.800 0.154 0.000 1.148 34 F CA -1.327 56.690 58.000 0.029 0.000 0.963 34 F CB 0.673 39.682 39.000 0.014 0.000 1.217 34 F HN -0.108 nan 8.300 nan 0.000 0.441 35 Y N 2.376 122.741 120.300 0.109 0.000 2.638 35 Y HA 0.512 5.062 4.550 0.000 0.000 0.367 35 Y C 0.239 176.143 175.900 0.006 0.000 1.001 35 Y CA -1.176 56.950 58.100 0.043 0.000 1.133 35 Y CB -0.464 37.999 38.460 0.005 0.000 1.199 35 Y HN 0.395 nan 8.280 nan 0.000 0.642 36 I N 0.659 121.243 120.570 0.022 0.000 2.512 36 I HA 0.074 4.245 4.170 0.001 0.000 0.247 36 I C 0.875 176.879 176.117 -0.189 0.000 1.094 36 I CA 0.807 62.007 61.300 -0.165 0.000 1.427 36 I CB -0.391 37.407 38.000 -0.336 0.000 1.149 36 I HN 0.524 nan 8.210 nan 0.000 0.438 37 S N -0.757 114.885 115.700 -0.097 0.000 2.611 37 S HA 0.364 4.835 4.470 0.001 0.000 0.268 37 S C 0.186 174.813 174.600 0.046 0.000 1.156 37 S CA -0.763 57.410 58.200 -0.045 0.000 0.817 37 S CB 1.661 64.803 63.200 -0.096 0.000 1.122 37 S HN 0.003 nan 8.310 nan 0.000 0.466 38 N N 2.430 121.158 118.700 0.047 0.000 2.013 38 N HA -0.100 4.641 4.740 0.001 0.000 0.195 38 N C 0.233 175.786 175.510 0.071 0.000 1.051 38 N CA 1.910 54.993 53.050 0.056 0.000 0.851 38 N CB -1.217 37.297 38.487 0.045 0.000 1.044 38 N HN 0.932 nan 8.380 nan 0.000 0.422 39 N N 2.584 121.335 118.700 0.084 0.000 2.276 39 N HA -0.101 4.639 4.740 0.001 0.000 0.279 39 N C -0.188 175.372 175.510 0.083 0.000 1.379 39 N CA 0.584 53.684 53.050 0.083 0.000 0.886 39 N CB 0.020 38.565 38.487 0.097 0.000 1.199 39 N HN 0.283 nan 8.380 nan 0.000 0.493 40 K N 1.267 121.701 120.400 0.055 0.000 2.760 40 K HA 0.374 4.694 4.320 0.001 0.000 0.285 40 K C 0.636 177.246 176.600 0.017 0.000 1.016 40 K CA -0.958 55.357 56.287 0.047 0.000 1.087 40 K CB 0.599 33.122 32.500 0.038 0.000 1.427 40 K HN 0.295 nan 8.250 nan 0.000 0.524 41 I N 2.943 123.530 120.570 0.029 0.000 2.734 41 I HA -0.063 4.107 4.170 0.001 0.000 0.301 41 I C 0.371 176.499 176.117 0.019 0.000 1.127 41 I CA 0.896 62.204 61.300 0.013 0.000 2.292 41 I CB -1.895 36.180 38.000 0.125 0.000 1.590 41 I HN 0.418 nan 8.210 nan 0.000 1.053 42 S N 0.823 116.515 115.700 -0.014 0.000 2.694 42 S HA 0.271 4.741 4.470 0.001 0.000 0.211 42 S C -0.067 174.510 174.600 -0.037 0.000 1.328 42 S CA -0.890 57.307 58.200 -0.005 0.000 1.236 42 S CB -0.250 62.961 63.200 0.019 0.000 1.121 42 S HN 0.290 nan 8.310 nan 0.000 0.517 43 D N 2.437 122.787 120.400 -0.083 0.000 2.374 43 D HA 0.238 4.878 4.640 0.001 0.000 0.240 43 D C 1.227 177.483 176.300 -0.074 0.000 1.229 43 D CA -0.517 53.406 54.000 -0.129 0.000 0.895 43 D CB 0.508 41.142 40.800 -0.277 0.000 1.046 43 D HN 0.229 nan 8.370 nan 0.000 0.498 44 I N 3.080 123.613 120.570 -0.062 0.000 2.439 44 I HA -0.099 4.072 4.170 0.001 0.000 0.251 44 I C -0.733 175.334 176.117 -0.085 0.000 1.139 44 I CA 0.559 61.807 61.300 -0.086 0.000 1.438 44 I CB -1.757 36.154 38.000 -0.147 0.000 1.085 44 I HN 0.229 nan 8.210 nan 0.000 0.427 45 P HA 0.000 nan 4.420 nan 0.000 0.245 45 P C -0.360 177.053 177.300 0.188 0.000 1.212 45 P CA 0.366 63.528 63.100 0.103 0.000 0.774 45 P CB 0.069 31.961 31.700 0.320 0.000 0.999 46 E N -4.574 115.690 120.200 0.106 0.000 2.613 46 E HA -0.199 4.152 4.350 0.001 0.000 0.307 46 E C 0.202 176.864 176.600 0.104 0.000 0.978 46 E CA -0.266 56.183 56.400 0.082 0.000 0.929 46 E CB -2.248 27.508 29.700 0.094 0.000 1.402 46 E HN 0.180 nan 8.360 nan 0.000 0.399 47 F N 0.367 120.233 119.950 -0.139 0.000 2.206 47 F HA -0.114 4.413 4.527 0.001 0.000 0.298 47 F C 1.919 177.640 175.800 -0.131 0.000 1.090 47 F CA 1.812 59.717 58.000 -0.159 0.000 1.323 47 F CB 0.162 38.888 39.000 -0.456 0.000 1.028 47 F HN 0.080 nan 8.300 nan 0.000 0.492 48 V N 0.951 120.739 119.914 -0.210 0.000 2.261 48 V HA -0.291 3.829 4.120 0.001 0.000 0.246 48 V C 2.383 178.264 176.094 -0.355 0.000 1.047 48 V CA 2.212 64.239 62.300 -0.455 0.000 1.015 48 V CB -0.762 30.643 31.823 -0.696 0.000 0.642 48 V HN 0.223 nan 8.190 nan 0.000 0.446 49 R N 0.319 120.685 120.500 -0.224 0.000 2.261 49 R HA -0.127 4.213 4.340 0.001 0.000 0.236 49 R C 2.258 178.485 176.300 -0.121 0.000 1.141 49 R CA 1.174 57.191 56.100 -0.139 0.000 1.001 49 R CB -0.661 29.594 30.300 -0.074 0.000 0.866 49 R HN 0.642 nan 8.270 nan 0.000 0.468 50 G N 0.962 109.658 108.800 -0.174 0.000 2.454 50 G HA2 -0.200 3.761 3.960 0.001 0.000 0.214 50 G HA3 -0.200 3.761 3.960 0.001 0.000 0.214 50 G C 1.338 176.121 174.900 -0.195 0.000 1.217 50 G CA 0.235 45.235 45.100 -0.168 0.000 0.799 50 G HN 0.023 nan 8.290 nan 0.000 0.538 51 M N 0.689 120.099 119.600 -0.316 0.000 2.106 51 M HA -0.063 4.417 4.480 0.001 0.000 0.259 51 M C 2.726 178.996 176.300 -0.050 0.000 1.068 51 M CA 0.769 55.968 55.300 -0.170 0.000 1.100 51 M CB -1.458 31.059 32.600 -0.139 0.000 1.351 51 M HN 0.102 nan 8.290 nan 0.000 0.404 52 V N 0.167 120.038 119.914 -0.072 0.000 2.295 52 V HA -0.275 3.846 4.120 0.001 0.000 0.246 52 V C 2.564 178.650 176.094 -0.012 0.000 1.049 52 V CA 1.680 63.975 62.300 -0.009 0.000 1.024 52 V CB -0.601 31.202 31.823 -0.034 0.000 0.648 52 V HN 0.434 nan 8.190 nan 0.000 0.447 53 M N -0.759 118.816 119.600 -0.042 0.000 2.117 53 M HA -0.156 4.324 4.480 0.001 0.000 0.262 53 M C 2.221 178.507 176.300 -0.023 0.000 1.065 53 M CA 1.557 56.834 55.300 -0.039 0.000 1.114 53 M CB -0.476 32.092 32.600 -0.054 0.000 1.361 53 M HN 0.222 nan 8.290 nan 0.000 0.408 54 V N 0.571 120.474 119.914 -0.018 0.000 2.392 54 V HA -0.273 3.847 4.120 0.001 0.000 0.249 54 V C 2.371 178.479 176.094 0.022 0.000 1.059 54 V CA 1.552 63.854 62.300 0.002 0.000 1.051 54 V CB -0.655 31.174 31.823 0.010 0.000 0.658 54 V HN 0.384 nan 8.190 nan 0.000 0.455 55 K N 0.286 120.707 120.400 0.033 0.000 2.076 55 K HA -0.094 4.226 4.320 0.001 0.000 0.204 55 K C 2.038 178.664 176.600 0.043 0.000 1.051 55 K CA 1.202 57.523 56.287 0.056 0.000 0.949 55 K CB -0.470 32.076 32.500 0.077 0.000 0.726 55 K HN 0.470 nan 8.250 nan 0.000 0.443 56 K N 1.191 121.606 120.400 0.025 0.000 2.009 56 K HA -0.129 4.191 4.320 0.001 0.000 0.210 56 K C 2.102 178.703 176.600 0.001 0.000 1.049 56 K CA 1.512 57.808 56.287 0.014 0.000 0.929 56 K CB -0.162 32.336 32.500 -0.003 0.000 0.714 56 K HN 0.032 nan 8.250 nan 0.000 0.440 57 A N 1.285 124.096 122.820 -0.015 0.000 1.841 57 A HA -0.154 4.166 4.320 0.001 0.000 0.216 57 A C 2.461 180.023 177.584 -0.038 0.000 1.199 57 A CA 2.374 54.390 52.037 -0.034 0.000 0.621 57 A CB -1.343 17.630 19.000 -0.045 0.000 0.835 57 A HN 0.556 nan 8.150 nan 0.000 0.445 58 A N -0.305 122.500 122.820 -0.024 0.000 1.903 58 A HA 0.007 4.327 4.320 0.001 0.000 0.219 58 A C 2.547 180.147 177.584 0.028 0.000 1.191 58 A CA 2.858 54.883 52.037 -0.020 0.000 0.638 58 A CB -1.245 17.791 19.000 0.060 0.000 0.823 58 A HN 1.272 nan 8.150 nan 0.000 0.451 59 A N -0.678 122.172 122.820 0.051 0.000 1.865 59 A HA -0.191 4.129 4.320 0.001 0.000 0.217 59 A C 2.245 179.858 177.584 0.049 0.000 1.191 59 A CA 2.181 54.260 52.037 0.070 0.000 0.623 59 A CB -0.652 18.388 19.000 0.067 0.000 0.826 59 A HN 0.543 nan 8.150 nan 0.000 0.444 60 M N -0.203 119.409 119.600 0.020 0.000 2.089 60 M HA -0.236 4.245 4.480 0.001 0.000 0.257 60 M C 2.333 178.635 176.300 0.003 0.000 1.071 60 M CA 1.905 57.209 55.300 0.008 0.000 1.096 60 M CB -0.462 32.131 32.600 -0.011 0.000 1.330 60 M HN 0.452 nan 8.290 nan 0.000 0.403 61 A N -0.352 122.451 122.820 -0.028 0.000 2.121 61 A HA -0.098 4.223 4.320 0.001 0.000 0.218 61 A C 1.721 179.328 177.584 0.039 0.000 1.154 61 A CA 1.707 53.712 52.037 -0.053 0.000 0.679 61 A CB -0.739 18.138 19.000 -0.206 0.000 0.795 61 A HN 0.526 nan 8.150 nan 0.000 0.458 62 N N -0.669 118.088 118.700 0.095 0.000 2.395 62 N HA -0.014 4.727 4.740 0.001 0.000 0.175 62 N C 1.641 177.211 175.510 0.101 0.000 1.029 62 N CA 1.096 54.240 53.050 0.157 0.000 0.897 62 N CB -0.057 38.535 38.487 0.176 0.000 0.991 62 N HN 0.601 nan 8.380 nan 0.000 0.441 63 K N 1.183 121.627 120.400 0.073 0.000 2.044 63 K HA -0.052 4.268 4.320 0.001 0.000 0.204 63 K C 1.762 178.391 176.600 0.048 0.000 1.049 63 K CA 0.959 57.282 56.287 0.059 0.000 0.945 63 K CB 0.038 32.566 32.500 0.047 0.000 0.724 63 K HN 0.116 nan 8.250 nan 0.000 0.440 64 E N 0.392 120.614 120.200 0.038 0.000 2.110 64 E HA -0.191 4.160 4.350 0.001 0.000 0.193 64 E C 1.907 178.532 176.600 0.041 0.000 0.988 64 E CA 0.830 57.248 56.400 0.029 0.000 0.804 64 E CB 0.087 29.795 29.700 0.012 0.000 0.745 64 E HN 0.214 nan 8.360 nan 0.000 0.458 65 L N 0.711 121.971 121.223 0.063 0.000 2.313 65 L HA -0.018 4.323 4.340 0.001 0.000 0.214 65 L C 0.769 177.679 176.870 0.067 0.000 1.119 65 L CA 1.315 56.204 54.840 0.081 0.000 0.809 65 L CB -0.004 42.142 42.059 0.145 0.000 0.933 65 L HN 0.174 nan 8.230 nan 0.000 0.449 66 Q N -1.422 118.416 119.800 0.064 0.000 2.502 66 Q HA -0.272 4.068 4.340 0.001 0.000 0.273 66 Q C 1.263 177.296 176.000 0.055 0.000 1.127 66 Q CA 0.596 56.433 55.803 0.056 0.000 0.952 66 Q CB -2.411 26.354 28.738 0.043 0.000 1.333 66 Q HN 0.659 nan 8.270 nan 0.000 0.494 67 T N -1.642 112.950 114.554 0.064 0.000 2.639 67 T HA 0.015 4.366 4.350 0.001 0.000 0.261 67 T C 1.234 175.959 174.700 0.042 0.000 1.053 67 T CA 1.135 63.260 62.100 0.042 0.000 1.158 67 T CB -0.309 68.582 68.868 0.038 0.000 0.863 67 T HN 0.555 nan 8.240 nan 0.000 0.413 68 I N 0.053 120.666 120.570 0.071 0.000 3.078 68 I HA 0.594 4.765 4.170 0.001 0.000 0.318 68 I C -2.894 173.305 176.117 0.137 0.000 1.016 68 I CA -3.151 58.223 61.300 0.123 0.000 1.130 68 I CB 0.489 38.604 38.000 0.191 0.000 1.397 68 I HN -0.084 nan 8.210 nan 0.000 0.570 69 P HA 0.092 nan 4.420 nan 0.000 0.271 69 P C 0.063 177.420 177.300 0.095 0.000 1.216 69 P CA -0.282 62.890 63.100 0.120 0.000 0.776 69 P CB 0.818 32.589 31.700 0.118 0.000 0.881 70 K N 2.246 122.687 120.400 0.069 0.000 2.001 70 K HA -0.196 4.124 4.320 0.001 0.000 0.214 70 K C 1.867 178.498 176.600 0.052 0.000 1.050 70 K CA 2.527 58.847 56.287 0.055 0.000 0.934 70 K CB -0.603 31.922 32.500 0.041 0.000 0.718 70 K HN 0.544 nan 8.250 nan 0.000 0.443 71 S N 0.599 116.328 115.700 0.047 0.000 2.392 71 S HA -0.183 4.287 4.470 0.001 0.000 0.232 71 S C 2.127 176.754 174.600 0.045 0.000 1.041 71 S CA 1.756 59.980 58.200 0.040 0.000 1.026 71 S CB -1.100 62.123 63.200 0.038 0.000 0.845 71 S HN 0.387 nan 8.310 nan 0.000 0.465 72 V N -0.433 119.514 119.914 0.055 0.000 2.878 72 V HA 0.412 4.532 4.120 0.001 0.000 0.250 72 V C 2.494 178.634 176.094 0.077 0.000 1.075 72 V CA 0.846 63.178 62.300 0.052 0.000 1.096 72 V CB -1.072 30.749 31.823 -0.003 0.000 0.724 72 V HN 0.513 nan 8.190 nan 0.000 0.467 73 A N 1.205 124.076 122.820 0.085 0.000 1.873 73 A HA -0.162 4.159 4.320 0.001 0.000 0.215 73 A C 2.079 179.699 177.584 0.060 0.000 1.186 73 A CA 1.926 54.012 52.037 0.082 0.000 0.616 73 A CB -1.007 18.040 19.000 0.078 0.000 0.823 73 A HN 0.579 nan 8.150 nan 0.000 0.442 74 N N 0.355 119.084 118.700 0.048 0.000 2.258 74 N HA -0.150 4.590 4.740 0.001 0.000 0.187 74 N C 1.705 177.236 175.510 0.035 0.000 1.012 74 N CA 1.464 54.534 53.050 0.034 0.000 0.870 74 N CB -0.355 38.147 38.487 0.026 0.000 0.977 74 N HN 0.523 nan 8.380 nan 0.000 0.434 75 A N 0.714 123.561 122.820 0.044 0.000 1.975 75 A HA 0.037 4.358 4.320 0.001 0.000 0.215 75 A C 2.088 179.707 177.584 0.059 0.000 1.170 75 A CA 0.290 52.355 52.037 0.048 0.000 0.656 75 A CB -0.074 18.958 19.000 0.053 0.000 0.821 75 A HN 0.060 nan 8.150 nan 0.000 0.449 76 I N 0.337 120.948 120.570 0.069 0.000 2.163 76 I HA -0.245 3.925 4.170 0.001 0.000 0.243 76 I C 2.439 178.592 176.117 0.060 0.000 1.085 76 I CA 1.609 62.954 61.300 0.076 0.000 1.347 76 I CB -1.107 36.944 38.000 0.085 0.000 1.044 76 I HN 0.502 nan 8.210 nan 0.000 0.408 77 I N 0.630 121.229 120.570 0.047 0.000 2.400 77 I HA -0.133 4.037 4.170 0.001 0.000 0.248 77 I C 2.640 178.772 176.117 0.025 0.000 1.109 77 I CA 1.238 62.557 61.300 0.031 0.000 1.425 77 I CB -0.084 37.929 38.000 0.021 0.000 1.094 77 I HN 0.082 nan 8.210 nan 0.000 0.425 78 A N 1.328 124.164 122.820 0.027 0.000 1.917 78 A HA -0.215 4.106 4.320 0.001 0.000 0.219 78 A C 2.491 180.091 177.584 0.026 0.000 1.182 78 A CA 2.057 54.106 52.037 0.021 0.000 0.633 78 A CB -1.104 17.907 19.000 0.019 0.000 0.819 78 A HN 0.614 nan 8.150 nan 0.000 0.448 79 A N -0.880 121.963 122.820 0.039 0.000 1.873 79 A HA -0.152 4.169 4.320 0.001 0.000 0.215 79 A C 2.342 179.950 177.584 0.039 0.000 1.186 79 A CA 1.622 53.687 52.037 0.047 0.000 0.616 79 A CB -1.402 17.639 19.000 0.069 0.000 0.823 79 A HN 0.627 nan 8.150 nan 0.000 0.442 80 C N -0.194 119.129 119.300 0.039 0.000 2.367 80 C HA -0.186 4.274 4.460 0.001 0.000 0.276 80 C C 2.382 177.378 174.990 0.010 0.000 1.195 80 C CA 1.209 60.244 59.018 0.028 0.000 1.756 80 C CB -1.408 26.344 27.740 0.021 0.000 2.046 80 C HN 0.615 nan 8.230 nan 0.000 0.453 81 D N 0.145 120.548 120.400 0.005 0.000 2.191 81 D HA -0.146 4.494 4.640 0.001 0.000 0.195 81 D C 2.132 178.430 176.300 -0.003 0.000 1.003 81 D CA 1.307 55.305 54.000 -0.004 0.000 0.867 81 D CB -0.416 40.383 40.800 -0.003 0.000 0.926 81 D HN 0.626 nan 8.370 nan 0.000 0.450 82 E N 0.357 120.560 120.200 0.005 0.000 2.001 82 E HA -0.095 4.255 4.350 0.001 0.000 0.193 82 E C 2.517 179.116 176.600 -0.003 0.000 0.994 82 E CA 0.309 56.711 56.400 0.003 0.000 0.815 82 E CB -0.484 29.222 29.700 0.010 0.000 0.770 82 E HN 0.074 nan 8.360 nan 0.000 0.453 83 V N 1.944 121.860 119.914 0.003 0.000 2.363 83 V HA -0.278 3.842 4.120 0.001 0.000 0.254 83 V C 2.289 178.370 176.094 -0.022 0.000 1.074 83 V CA 1.428 63.728 62.300 -0.000 0.000 1.069 83 V CB -0.556 31.285 31.823 0.030 0.000 0.659 83 V HN 0.135 nan 8.190 nan 0.000 0.455 84 L N -1.109 120.100 121.223 -0.023 0.000 2.362 84 L HA 0.045 4.385 4.340 0.001 0.000 0.200 84 L C 1.385 178.239 176.870 -0.027 0.000 1.229 84 L CA 1.276 56.095 54.840 -0.034 0.000 2.770 84 L CB -0.734 41.304 42.059 -0.035 0.000 2.643 84 L HN 0.455 nan 8.230 nan 0.000 1.032 85 N N -0.461 118.224 118.700 -0.024 0.000 1.202 85 N HA -0.356 4.384 4.740 0.001 0.000 0.108 85 N C 0.752 176.251 175.510 -0.019 0.000 0.816 85 N CA 1.138 54.176 53.050 -0.019 0.000 0.848 85 N CB -0.930 37.548 38.487 -0.014 0.000 0.972 85 N HN 0.745 nan 8.380 nan 0.000 0.645 86 N N 1.927 120.618 118.700 -0.015 0.000 2.443 86 N HA -0.086 4.654 4.740 0.001 0.000 0.184 86 N C 0.663 176.162 175.510 -0.018 0.000 1.037 86 N CA 1.642 54.683 53.050 -0.014 0.000 0.896 86 N CB -0.058 38.423 38.487 -0.010 0.000 0.959 86 N HN 0.969 nan 8.380 nan 0.000 0.442 87 G N 1.065 109.852 108.800 -0.022 0.000 2.867 87 G HA2 -0.127 3.834 3.960 0.001 0.000 0.182 87 G HA3 -0.127 3.834 3.960 0.001 0.000 0.182 87 G C 0.097 174.985 174.900 -0.020 0.000 1.029 87 G CA -0.326 44.756 45.100 -0.030 0.000 1.093 87 G HN 0.139 nan 8.290 nan 0.000 0.585 88 K N -0.127 120.263 120.400 -0.016 0.000 2.174 88 K HA 0.141 4.461 4.320 0.001 0.000 0.186 88 K C 2.410 179.001 176.600 -0.014 0.000 1.082 88 K CA 0.754 57.034 56.287 -0.011 0.000 1.067 88 K CB -0.855 31.640 32.500 -0.009 0.000 1.449 88 K HN 0.463 nan 8.250 nan 0.000 0.474 89 C N 1.873 121.155 119.300 -0.031 0.000 2.388 89 C HA -0.139 4.321 4.460 0.001 0.000 0.299 89 C C 1.608 176.575 174.990 -0.039 0.000 1.390 89 C CA 0.462 59.428 59.018 -0.087 0.000 1.808 89 C CB -1.636 26.011 27.740 -0.155 0.000 1.831 89 C HN 0.491 nan 8.230 nan 0.000 0.548 90 M N 0.040 119.666 119.600 0.044 0.000 3.282 90 M HA 0.176 4.657 4.480 0.001 0.000 0.242 90 M C 0.196 176.591 176.300 0.159 0.000 1.568 90 M CA 0.894 56.283 55.300 0.148 0.000 1.668 90 M CB -0.511 32.058 32.600 -0.051 0.000 1.236 90 M HN 0.103 nan 8.290 nan 0.000 0.527 91 D N 0.121 120.656 120.400 0.224 0.000 2.348 91 D HA -0.001 4.639 4.640 0.001 0.000 0.283 91 D C 1.041 177.483 176.300 0.236 0.000 1.096 91 D CA 0.208 54.315 54.000 0.179 0.000 0.863 91 D CB 0.611 41.471 40.800 0.100 0.000 1.465 91 D HN 0.533 nan 8.370 nan 0.000 0.515 92 Q N 0.298 120.237 119.800 0.232 0.000 2.319 92 Q HA 0.069 4.410 4.340 0.001 0.000 0.217 92 Q C -0.674 175.264 176.000 -0.103 0.000 0.924 92 Q CA 0.342 56.228 55.803 0.139 0.000 0.964 92 Q CB -0.385 28.506 28.738 0.254 0.000 1.025 92 Q HN 0.354 nan 8.270 nan 0.000 0.465 93 F N 2.217 122.166 119.950 -0.002 0.000 2.310 93 F HA 0.274 4.801 4.527 0.001 0.000 0.365 93 F C -1.649 174.115 175.800 -0.060 0.000 1.080 93 F CA -2.303 55.699 58.000 0.003 0.000 1.187 93 F CB 1.497 40.528 39.000 0.052 0.000 1.465 93 F HN -0.036 nan 8.300 nan 0.000 0.496 94 P HA 0.129 nan 4.420 nan 0.000 0.270 94 P C -0.503 176.768 177.300 -0.048 0.000 1.754 94 P CA 0.099 63.127 63.100 -0.120 0.000 1.202 94 P CB 1.218 32.682 31.700 -0.393 0.000 1.592 95 V N 0.189 120.125 119.914 0.037 0.000 2.435 95 V HA 0.365 4.485 4.120 0.001 0.000 0.290 95 V C -0.035 176.117 176.094 0.096 0.000 1.030 95 V CA -0.698 61.654 62.300 0.087 0.000 0.881 95 V CB 1.179 33.084 31.823 0.137 0.000 0.983 95 V HN -0.016 nan 8.190 nan 0.000 0.445 96 D N 4.059 124.542 120.400 0.137 0.000 2.772 96 D HA -0.107 4.533 4.640 0.001 0.000 0.227 96 D C 1.473 177.839 176.300 0.110 0.000 1.114 96 D CA 1.035 55.130 54.000 0.158 0.000 0.832 96 D CB 1.450 42.384 40.800 0.224 0.000 1.154 96 D HN 0.736 nan 8.370 nan 0.000 0.514 97 V N 3.430 123.391 119.914 0.078 0.000 2.636 97 V HA -0.227 3.893 4.120 0.001 0.000 0.258 97 V C 0.514 176.446 176.094 -0.271 0.000 1.092 97 V CA 1.070 63.293 62.300 -0.128 0.000 1.110 97 V CB -1.218 30.483 31.823 -0.203 0.000 0.685 97 V HN 0.381 nan 8.190 nan 0.000 0.481 98 Y N 3.146 123.379 120.300 -0.112 0.000 2.404 98 Y HA 0.658 5.208 4.550 0.001 0.000 0.344 98 Y C 0.378 176.107 175.900 -0.286 0.000 0.970 98 Y CA -1.115 56.886 58.100 -0.165 0.000 1.180 98 Y CB 0.685 39.077 38.460 -0.114 0.000 1.138 98 Y HN 0.557 nan 8.280 nan 0.000 0.510 99 Q N 1.424 121.023 119.800 -0.334 0.000 2.331 99 Q HA 0.577 4.918 4.340 0.001 0.000 0.249 99 Q C -0.356 175.234 176.000 -0.683 0.000 0.913 99 Q CA -0.899 54.467 55.803 -0.729 0.000 0.874 99 Q CB 1.224 29.725 28.738 -0.395 0.000 1.384 99 Q HN 0.706 nan 8.270 nan 0.000 0.427 100 G N 0.960 109.206 108.800 -0.924 0.000 2.583 100 G HA2 0.396 4.357 3.960 0.001 0.000 0.275 100 G HA3 0.396 4.357 3.960 0.001 0.000 0.275 100 G C 0.934 175.699 174.900 -0.226 0.000 1.342 100 G CA -0.027 44.827 45.100 -0.410 0.000 1.030 100 G HN 1.649 nan 8.290 nan 0.000 0.520 101 G N -2.438 106.318 108.800 -0.075 0.000 2.141 101 G HA2 0.168 4.129 3.960 0.001 0.000 0.242 101 G HA3 0.168 4.129 3.960 0.001 0.000 0.242 101 G C 1.151 176.010 174.900 -0.068 0.000 0.982 101 G CA 1.149 46.245 45.100 -0.006 0.000 0.662 101 G HN 2.425 nan 8.290 nan 0.000 0.527 102 A N -1.330 121.420 122.820 -0.117 0.000 2.910 102 A HA 0.338 4.658 4.320 0.001 0.000 0.267 102 A C 2.322 179.723 177.584 -0.304 0.000 1.310 102 A CA 2.087 54.046 52.037 -0.130 0.000 0.934 102 A CB -1.368 17.613 19.000 -0.032 0.000 1.057 102 A HN 2.857 nan 8.150 nan 0.000 0.742 103 G N -3.849 104.675 108.800 -0.460 0.000 2.168 103 G HA2 -0.046 3.914 3.960 0.001 0.000 0.197 103 G HA3 -0.046 3.914 3.960 0.001 0.000 0.197 103 G C 1.575 176.246 174.900 -0.381 0.000 0.997 103 G CA 1.336 45.906 45.100 -0.883 0.000 0.658 103 G HN 2.138 nan 8.290 nan 0.000 0.513 104 T N -1.023 113.435 114.554 -0.161 0.000 2.746 104 T HA -0.059 4.291 4.350 0.001 0.000 0.267 104 T C 2.438 177.097 174.700 -0.069 0.000 1.039 104 T CA 2.290 64.342 62.100 -0.081 0.000 1.142 104 T CB -0.568 68.289 68.868 -0.019 0.000 0.866 104 T HN 0.500 nan 8.240 nan 0.000 0.444 105 S N 1.351 117.102 115.700 0.085 0.000 2.380 105 S HA -0.152 4.318 4.470 0.001 0.000 0.229 105 S C 2.187 176.870 174.600 0.137 0.000 1.050 105 S CA 1.645 59.998 58.200 0.255 0.000 1.100 105 S CB -0.929 62.396 63.200 0.208 0.000 0.984 105 S HN 0.412 nan 8.310 nan 0.000 0.434 106 V N 1.895 121.848 119.914 0.066 0.000 2.488 106 V HA -0.103 4.017 4.120 0.001 0.000 0.246 106 V C 2.166 178.386 176.094 0.209 0.000 1.046 106 V CA 1.770 64.187 62.300 0.195 0.000 1.053 106 V CB -0.904 31.115 31.823 0.326 0.000 0.679 106 V HN 0.499 nan 8.190 nan 0.000 0.458 107 N N -0.425 118.348 118.700 0.123 0.000 2.166 107 N HA -0.187 4.554 4.740 0.001 0.000 0.186 107 N C 1.826 177.374 175.510 0.064 0.000 1.019 107 N CA 1.394 54.521 53.050 0.129 0.000 0.856 107 N CB -0.049 38.494 38.487 0.093 0.000 0.993 107 N HN 0.198 nan 8.380 nan 0.000 0.426 108 M N 0.334 119.913 119.600 -0.036 0.000 2.193 108 M HA -0.043 4.437 4.480 0.001 0.000 0.265 108 M C 1.885 178.185 176.300 0.001 0.000 1.071 108 M CA 0.873 56.114 55.300 -0.098 0.000 1.140 108 M CB -1.591 30.760 32.600 -0.415 0.000 1.369 108 M HN 0.256 nan 8.290 nan 0.000 0.423 109 N N 0.643 119.375 118.700 0.053 0.000 2.060 109 N HA -0.158 4.582 4.740 0.001 0.000 0.195 109 N C 1.416 176.881 175.510 -0.075 0.000 1.028 109 N CA 2.366 55.430 53.050 0.023 0.000 0.861 109 N CB -0.284 38.264 38.487 0.103 0.000 1.029 109 N HN 0.331 nan 8.380 nan 0.000 0.428 110 T N 0.729 115.363 114.554 0.133 0.000 2.812 110 T HA -0.011 4.340 4.350 0.001 0.000 0.264 110 T C 1.634 176.412 174.700 0.131 0.000 1.042 110 T CA 0.705 62.959 62.100 0.257 0.000 1.140 110 T CB -0.313 68.780 68.868 0.374 0.000 0.870 110 T HN 0.253 nan 8.240 nan 0.000 0.445 111 N N 1.394 120.153 118.700 0.097 0.000 2.037 111 N HA -0.139 4.602 4.740 0.001 0.000 0.196 111 N C 1.914 177.466 175.510 0.069 0.000 1.034 111 N CA 1.523 54.619 53.050 0.077 0.000 0.861 111 N CB -0.296 38.219 38.487 0.046 0.000 1.039 111 N HN 0.595 nan 8.380 nan 0.000 0.427 112 E N 0.245 120.472 120.200 0.046 0.000 2.017 112 E HA -0.112 4.238 4.350 0.001 0.000 0.193 112 E C 2.129 178.766 176.600 0.061 0.000 0.997 112 E CA 1.132 57.563 56.400 0.051 0.000 0.804 112 E CB -0.243 29.485 29.700 0.046 0.000 0.757 112 E HN 0.032 nan 8.360 nan 0.000 0.448 113 V N 2.076 121.991 119.914 0.001 0.000 2.233 113 V HA -0.325 3.795 4.120 0.001 0.000 0.252 113 V C 2.443 178.599 176.094 0.104 0.000 1.063 113 V CA 2.033 64.337 62.300 0.006 0.000 1.032 113 V CB -0.752 30.919 31.823 -0.252 0.000 0.645 113 V HN 0.282 nan 8.190 nan 0.000 0.446 114 L N -0.129 121.161 121.223 0.112 0.000 2.191 114 L HA -0.147 4.194 4.340 0.001 0.000 0.212 114 L C 2.629 179.573 176.870 0.124 0.000 1.103 114 L CA 1.320 56.234 54.840 0.123 0.000 0.769 114 L CB -0.916 41.218 42.059 0.125 0.000 0.908 114 L HN 0.379 nan 8.230 nan 0.000 0.438 115 A N 0.658 123.552 122.820 0.122 0.000 1.840 115 A HA -0.163 4.157 4.320 0.001 0.000 0.214 115 A C 2.135 179.806 177.584 0.144 0.000 1.198 115 A CA 1.651 53.763 52.037 0.124 0.000 0.608 115 A CB -0.504 18.561 19.000 0.108 0.000 0.839 115 A HN 0.388 nan 8.150 nan 0.000 0.443 116 N N 0.440 119.237 118.700 0.162 0.000 2.084 116 N HA -0.112 4.628 4.740 0.001 0.000 0.190 116 N C 1.706 177.367 175.510 0.252 0.000 1.030 116 N CA 1.678 54.836 53.050 0.180 0.000 0.849 116 N CB -0.573 38.014 38.487 0.168 0.000 1.012 116 N HN 0.556 nan 8.380 nan 0.000 0.423 117 I N 0.617 121.385 120.570 0.331 0.000 2.208 117 I HA -0.199 3.972 4.170 0.001 0.000 0.245 117 I C 2.371 178.590 176.117 0.169 0.000 1.097 117 I CA 1.432 62.900 61.300 0.281 0.000 1.363 117 I CB -0.747 37.330 38.000 0.129 0.000 1.051 117 I HN 0.164 nan 8.210 nan 0.000 0.413 118 G N 0.917 109.801 108.800 0.139 0.000 2.422 118 G HA2 -0.124 3.836 3.960 0.001 0.000 0.218 118 G HA3 -0.124 3.836 3.960 0.001 0.000 0.218 118 G C 1.716 176.677 174.900 0.101 0.000 1.140 118 G CA 0.303 45.465 45.100 0.105 0.000 0.775 118 G HN 0.259 nan 8.290 nan 0.000 0.545 119 L N -0.135 121.167 121.223 0.133 0.000 2.072 119 L HA 0.022 4.362 4.340 0.001 0.000 0.205 119 L C 2.806 179.719 176.870 0.071 0.000 1.079 119 L CA 0.911 55.840 54.840 0.147 0.000 0.752 119 L CB -0.471 41.709 42.059 0.201 0.000 0.906 119 L HN 0.257 nan 8.230 nan 0.000 0.436 120 E N 0.181 120.428 120.200 0.079 0.000 2.097 120 E HA -0.225 4.125 4.350 0.001 0.000 0.196 120 E C 2.078 178.684 176.600 0.010 0.000 1.000 120 E CA 1.009 57.438 56.400 0.048 0.000 0.804 120 E CB 0.021 29.785 29.700 0.107 0.000 0.740 120 E HN 0.332 nan 8.360 nan 0.000 0.454 121 L N -0.113 121.123 121.223 0.021 0.000 2.492 121 L HA 0.036 4.376 4.340 0.001 0.000 0.223 121 L C 1.868 178.696 176.870 -0.069 0.000 1.132 121 L CA 0.889 55.723 54.840 -0.010 0.000 0.850 121 L CB -0.292 41.777 42.059 0.016 0.000 0.966 121 L HN 0.252 nan 8.230 nan 0.000 0.454 122 M N -1.368 118.168 119.600 -0.106 0.000 2.494 122 M HA 0.101 4.582 4.480 0.001 0.000 0.232 122 M C 1.500 177.486 176.300 -0.523 0.000 1.137 122 M CA 0.485 55.620 55.300 -0.275 0.000 1.012 122 M CB 0.235 32.732 32.600 -0.172 0.000 1.567 122 M HN 0.376 nan 8.290 nan 0.000 0.486 123 G N -0.068 108.560 108.800 -0.286 0.000 2.377 123 G HA2 -0.304 3.656 3.960 0.001 0.000 0.250 123 G HA3 -0.304 3.656 3.960 0.001 0.000 0.250 123 G C 0.040 174.807 174.900 -0.222 0.000 1.039 123 G CA 0.452 45.399 45.100 -0.254 0.000 0.625 123 G HN 0.600 nan 8.290 nan 0.000 0.526 124 H N 1.190 120.150 119.070 -0.182 0.000 2.948 124 H HA 0.270 4.827 4.556 0.001 0.000 0.351 124 H C 1.850 177.134 175.328 -0.073 0.000 1.079 124 H CA 0.376 56.294 56.048 -0.218 0.000 1.407 124 H CB 0.673 30.189 29.762 -0.411 0.000 1.373 124 H HN 0.397 nan 8.280 nan 0.000 0.605 125 Q N 4.608 124.478 119.800 0.117 0.000 2.541 125 Q HA -0.120 4.221 4.340 0.001 0.000 0.215 125 Q C 0.545 176.598 176.000 0.087 0.000 0.977 125 Q CA 0.773 56.616 55.803 0.066 0.000 0.934 125 Q CB -0.586 28.171 28.738 0.032 0.000 0.988 125 Q HN 0.840 nan 8.270 nan 0.000 0.521 126 K N -1.250 119.243 120.400 0.155 0.000 1.939 126 K HA -0.324 3.996 4.320 0.001 0.000 0.165 126 K C 0.920 177.601 176.600 0.134 0.000 1.508 126 K CA 1.006 57.375 56.287 0.136 0.000 0.525 126 K CB -2.296 30.224 32.500 0.035 0.000 0.615 126 K HN 0.655 nan 8.250 nan 0.000 0.888 127 G N 0.586 109.419 108.800 0.056 0.000 2.566 127 G HA2 -0.455 3.505 3.960 0.001 0.000 0.308 127 G HA3 -0.455 3.505 3.960 0.001 0.000 0.308 127 G C 0.756 175.701 174.900 0.075 0.000 1.317 127 G CA 1.961 47.088 45.100 0.046 0.000 0.930 127 G HN 1.198 nan 8.290 nan 0.000 0.547 128 E N -1.422 118.811 120.200 0.055 0.000 2.257 128 E HA -0.288 4.062 4.350 0.001 0.000 0.229 128 E C 0.648 177.150 176.600 -0.164 0.000 1.089 128 E CA 2.236 58.602 56.400 -0.057 0.000 0.947 128 E CB -0.265 29.391 29.700 -0.074 0.000 0.808 128 E HN 0.486 nan 8.360 nan 0.000 0.471 129 Y N 1.610 121.869 120.300 -0.068 0.000 2.616 129 Y HA 0.126 4.676 4.550 0.001 0.000 0.350 129 Y C -0.129 175.671 175.900 -0.167 0.000 1.119 129 Y CA -0.100 57.896 58.100 -0.174 0.000 1.467 129 Y CB 0.316 38.695 38.460 -0.135 0.000 1.287 129 Y HN 0.019 nan 8.280 nan 0.000 0.504 130 Q N 3.299 123.022 119.800 -0.129 0.000 2.377 130 Q HA 0.115 4.455 4.340 0.001 0.000 0.249 130 Q C -0.302 175.608 176.000 -0.149 0.000 1.005 130 Q CA -0.288 55.488 55.803 -0.044 0.000 0.912 130 Q CB 0.606 29.333 28.738 -0.018 0.000 1.223 130 Q HN 0.803 nan 8.270 nan 0.000 0.459 131 Y N 1.184 121.435 120.300 -0.081 0.000 2.490 131 Y HA 0.097 4.647 4.550 0.001 0.000 0.281 131 Y C 0.231 176.013 175.900 -0.198 0.000 1.174 131 Y CA 0.158 58.158 58.100 -0.167 0.000 1.295 131 Y CB 0.780 39.075 38.460 -0.276 0.000 1.062 131 Y HN 0.354 nan 8.280 nan 0.000 0.522 132 L N 0.985 122.224 121.223 0.027 0.000 2.492 132 L HA 0.256 4.596 4.340 0.001 0.000 0.258 132 L C -0.648 176.276 176.870 0.089 0.000 1.028 132 L CA -0.582 54.265 54.840 0.011 0.000 0.900 132 L CB 0.695 42.808 42.059 0.090 0.000 1.191 132 L HN -0.005 nan 8.230 nan 0.000 0.459 133 N N 3.982 122.791 118.700 0.181 0.000 2.452 133 N HA 0.145 4.886 4.740 0.001 0.000 0.266 133 N C -1.751 173.844 175.510 0.141 0.000 1.175 133 N CA -1.281 51.874 53.050 0.174 0.000 0.945 133 N CB 1.849 40.477 38.487 0.236 0.000 1.063 133 N HN 0.233 nan 8.380 nan 0.000 0.472 134 P HA -0.130 nan 4.420 nan 0.000 0.219 134 P C 0.419 177.755 177.300 0.059 0.000 1.144 134 P CA 1.378 64.521 63.100 0.072 0.000 0.806 134 P CB 0.451 32.181 31.700 0.049 0.000 0.771 135 N N -1.906 116.823 118.700 0.049 0.000 2.684 135 N HA -0.019 4.722 4.740 0.001 0.000 0.220 135 N C 1.148 176.659 175.510 0.001 0.000 1.037 135 N CA 0.339 53.401 53.050 0.021 0.000 0.975 135 N CB -0.021 38.467 38.487 0.002 0.000 1.426 135 N HN -0.200 nan 8.380 nan 0.000 0.450 136 D N -1.119 119.272 120.400 -0.014 0.000 2.392 136 D HA -0.071 4.569 4.640 0.001 0.000 0.228 136 D C 0.285 176.356 176.300 -0.382 0.000 1.003 136 D CA 1.070 54.976 54.000 -0.157 0.000 0.917 136 D CB 0.227 40.935 40.800 -0.153 0.000 0.890 136 D HN 0.555 nan 8.370 nan 0.000 0.532 137 H N -2.288 116.800 119.070 0.030 0.000 3.412 137 H HA 0.089 4.645 4.556 0.001 0.000 0.233 137 H C 1.786 177.148 175.328 0.057 0.000 0.953 137 H CA -0.026 56.049 56.048 0.045 0.000 1.049 137 H CB 0.650 30.444 29.762 0.053 0.000 1.406 137 H HN -0.134 nan 8.280 nan 0.000 0.557 138 V N 0.666 120.680 119.914 0.167 0.000 2.326 138 V HA -0.077 4.043 4.120 0.001 0.000 0.237 138 V C 0.979 177.132 176.094 0.098 0.000 1.044 138 V CA 1.328 63.703 62.300 0.126 0.000 1.035 138 V CB -0.394 31.497 31.823 0.113 0.000 0.675 138 V HN 0.273 nan 8.190 nan 0.000 0.470 139 N N 1.200 119.946 118.700 0.076 0.000 3.167 139 N HA 0.005 4.746 4.740 0.001 0.000 0.318 139 N C -0.152 175.379 175.510 0.036 0.000 1.268 139 N CA 0.039 53.123 53.050 0.058 0.000 1.197 139 N CB -0.342 38.168 38.487 0.038 0.000 1.464 139 N HN 0.196 nan 8.380 nan 0.000 0.555 140 K N 0.552 120.981 120.400 0.049 0.000 2.156 140 K HA 0.315 4.635 4.320 0.001 0.000 0.271 140 K C -0.198 176.401 176.600 -0.001 0.000 0.995 140 K CA -0.466 55.826 56.287 0.008 0.000 0.890 140 K CB 0.559 33.070 32.500 0.018 0.000 1.073 140 K HN 0.314 nan 8.250 nan 0.000 0.454 141 C N 3.087 122.322 119.300 -0.108 0.000 3.899 141 C HA -0.181 4.279 4.460 0.001 0.000 0.297 141 C C 0.061 174.969 174.990 -0.136 0.000 1.371 141 C CA 0.706 59.557 59.018 -0.279 0.000 2.088 141 C CB -2.701 24.612 27.740 -0.712 0.000 1.346 141 C HN 0.826 nan 8.230 nan 0.000 0.658 142 Q N -0.759 119.026 119.800 -0.024 0.000 2.885 142 Q HA 0.779 5.119 4.340 0.001 0.000 0.353 142 Q C -0.560 175.465 176.000 0.042 0.000 0.784 142 Q CA -0.063 55.774 55.803 0.057 0.000 0.840 142 Q CB 2.248 31.050 28.738 0.106 0.000 1.306 142 Q HN 0.838 nan 8.270 nan 0.000 0.510 143 S N -2.025 113.716 115.700 0.070 0.000 2.751 143 S HA 0.090 4.560 4.470 0.001 0.000 0.289 143 S C -0.040 174.618 174.600 0.096 0.000 0.965 143 S CA -0.126 58.112 58.200 0.063 0.000 0.855 143 S CB 0.291 63.521 63.200 0.049 0.000 1.068 143 S HN 0.570 nan 8.310 nan 0.000 0.462 144 T N 2.568 117.177 114.554 0.092 0.000 2.685 144 T HA -0.190 4.160 4.350 0.001 0.000 0.268 144 T C 1.584 176.389 174.700 0.175 0.000 1.034 144 T CA 2.215 64.396 62.100 0.135 0.000 1.149 144 T CB -0.922 67.990 68.868 0.075 0.000 0.860 144 T HN 0.785 nan 8.240 nan 0.000 0.449 145 N N 2.141 120.917 118.700 0.126 0.000 2.484 145 N HA -0.143 4.597 4.740 0.001 0.000 0.193 145 N C 1.062 176.657 175.510 0.141 0.000 1.033 145 N CA 1.807 54.932 53.050 0.125 0.000 0.906 145 N CB -0.337 38.202 38.487 0.087 0.000 0.947 145 N HN 0.827 nan 8.380 nan 0.000 0.448 146 D N -2.458 118.032 120.400 0.150 0.000 2.097 146 D HA 0.270 4.910 4.640 0.001 0.000 0.325 146 D C 1.510 177.904 176.300 0.157 0.000 1.087 146 D CA 0.246 54.333 54.000 0.145 0.000 0.917 146 D CB -0.516 40.358 40.800 0.124 0.000 1.784 146 D HN 0.025 nan 8.370 nan 0.000 0.532 147 A N 0.108 123.027 122.820 0.166 0.000 1.873 147 A HA -0.091 4.230 4.320 0.001 0.000 0.215 147 A C 2.135 179.840 177.584 0.202 0.000 1.186 147 A CA 1.395 53.529 52.037 0.161 0.000 0.616 147 A CB -1.270 17.822 19.000 0.154 0.000 0.823 147 A HN 0.318 nan 8.150 nan 0.000 0.442 148 Y N 1.602 121.983 120.300 0.135 0.000 2.097 148 Y HA -0.134 4.417 4.550 0.000 0.000 0.282 148 Y C -0.418 175.641 175.900 0.265 0.000 1.152 148 Y CA 2.207 60.419 58.100 0.187 0.000 1.136 148 Y CB -1.084 37.474 38.460 0.164 0.000 0.975 148 Y HN 0.282 nan 8.280 nan 0.000 0.498 149 P HA -0.139 nan 4.420 nan 0.000 0.216 149 P C 1.552 178.965 177.300 0.190 0.000 1.153 149 P CA 2.303 65.531 63.100 0.214 0.000 0.848 149 P CB -0.184 31.690 31.700 0.291 0.000 0.787 150 T N 0.187 114.821 114.554 0.133 0.000 2.607 150 T HA -0.141 4.209 4.350 0.001 0.000 0.267 150 T C 2.161 176.895 174.700 0.056 0.000 1.049 150 T CA 2.214 64.365 62.100 0.085 0.000 1.162 150 T CB -1.375 67.535 68.868 0.071 0.000 0.863 150 T HN 0.207 nan 8.240 nan 0.000 0.424 151 G N 1.028 109.838 108.800 0.016 0.000 2.476 151 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 151 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 151 G C 1.369 176.263 174.900 -0.010 0.000 1.164 151 G CA 0.937 45.984 45.100 -0.088 0.000 0.768 151 G HN 0.416 nan 8.290 nan 0.000 0.560 152 F N 2.093 121.993 119.950 -0.085 0.000 2.043 152 F HA -0.132 4.395 4.527 0.000 0.000 0.297 152 F C 2.834 178.719 175.800 0.140 0.000 1.121 152 F CA 1.890 59.989 58.000 0.166 0.000 1.199 152 F CB -0.767 38.209 39.000 -0.040 0.000 0.968 152 F HN 0.074 nan 8.300 nan 0.000 0.478 153 R N 0.126 120.552 120.500 -0.123 0.000 2.103 153 R HA -0.220 4.120 4.340 0.001 0.000 0.234 153 R C 2.205 178.448 176.300 -0.095 0.000 1.132 153 R CA 2.089 58.070 56.100 -0.199 0.000 0.925 153 R CB -0.915 29.359 30.300 -0.042 0.000 0.842 153 R HN 0.272 nan 8.270 nan 0.000 0.430 154 I N 0.950 121.525 120.570 0.008 0.000 2.236 154 I HA -0.321 3.849 4.170 0.001 0.000 0.249 154 I C 2.447 178.666 176.117 0.170 0.000 1.102 154 I CA 1.775 63.141 61.300 0.110 0.000 1.365 154 I CB -1.474 36.601 38.000 0.126 0.000 1.051 154 I HN 0.288 nan 8.210 nan 0.000 0.420 155 A N 0.548 123.454 122.820 0.143 0.000 1.840 155 A HA -0.114 4.206 4.320 0.001 0.000 0.214 155 A C 2.468 180.133 177.584 0.135 0.000 1.198 155 A CA 1.772 53.961 52.037 0.252 0.000 0.608 155 A CB -1.044 18.264 19.000 0.514 0.000 0.839 155 A HN 0.217 nan 8.150 nan 0.000 0.443 156 V N -0.971 118.875 119.914 -0.114 0.000 2.370 156 V HA -0.342 3.779 4.120 0.001 0.000 0.252 156 V C 2.340 178.287 176.094 -0.244 0.000 1.068 156 V CA 2.391 64.445 62.300 -0.409 0.000 1.061 156 V CB -1.261 30.189 31.823 -0.621 0.000 0.656 156 V HN 0.658 nan 8.190 nan 0.000 0.455 157 Y N 1.218 121.348 120.300 -0.283 0.000 2.049 157 Y HA -0.298 4.253 4.550 0.001 0.000 0.277 157 Y C 3.020 178.737 175.900 -0.305 0.000 1.143 157 Y CA 2.092 59.985 58.100 -0.345 0.000 1.115 157 Y CB -0.724 37.431 38.460 -0.510 0.000 0.975 157 Y HN 0.205 nan 8.280 nan 0.000 0.487 158 S N -0.823 114.772 115.700 -0.175 0.000 2.387 158 S HA -0.221 4.250 4.470 0.001 0.000 0.230 158 S C 2.153 176.692 174.600 -0.102 0.000 1.035 158 S CA 1.857 60.026 58.200 -0.051 0.000 1.014 158 S CB -0.685 62.684 63.200 0.281 0.000 0.836 158 S HN 0.605 nan 8.310 nan 0.000 0.466 159 S N 1.280 116.934 115.700 -0.077 0.000 2.399 159 S HA 0.062 4.533 4.470 0.001 0.000 0.231 159 S C 1.722 176.235 174.600 -0.145 0.000 1.022 159 S CA 1.148 59.309 58.200 -0.066 0.000 0.983 159 S CB -0.375 62.795 63.200 -0.049 0.000 0.803 159 S HN 0.471 nan 8.310 nan 0.000 0.480 160 L N 0.825 121.895 121.223 -0.256 0.000 2.179 160 L HA 0.067 4.407 4.340 0.001 0.000 0.208 160 L C 2.115 178.811 176.870 -0.291 0.000 1.096 160 L CA 0.714 55.387 54.840 -0.279 0.000 0.779 160 L CB -0.449 41.403 42.059 -0.345 0.000 0.922 160 L HN 0.275 nan 8.230 nan 0.000 0.443 161 I N -0.052 120.293 120.570 -0.374 0.000 2.208 161 I HA -0.333 3.837 4.170 0.001 0.000 0.245 161 I C 2.520 178.555 176.117 -0.137 0.000 1.097 161 I CA 1.435 62.560 61.300 -0.291 0.000 1.363 161 I CB -0.170 37.677 38.000 -0.255 0.000 1.051 161 I HN 0.211 nan 8.210 nan 0.000 0.413 162 K N 0.440 120.785 120.400 -0.092 0.000 2.057 162 K HA -0.184 4.136 4.320 0.001 0.000 0.206 162 K C 1.983 178.574 176.600 -0.014 0.000 1.050 162 K CA 1.045 57.320 56.287 -0.020 0.000 0.935 162 K CB -0.190 32.314 32.500 0.006 0.000 0.715 162 K HN 0.066 nan 8.250 nan 0.000 0.439 163 L N 0.723 121.915 121.223 -0.051 0.000 1.989 163 L HA -0.195 4.145 4.340 0.001 0.000 0.211 163 L C 2.099 178.921 176.870 -0.080 0.000 1.071 163 L CA 1.867 56.673 54.840 -0.056 0.000 0.749 163 L CB -0.785 41.224 42.059 -0.084 0.000 0.890 163 L HN 0.172 nan 8.230 nan 0.000 0.431 164 V N -2.554 117.303 119.914 -0.095 0.000 2.287 164 V HA -0.276 3.845 4.120 0.001 0.000 0.248 164 V C 2.215 178.265 176.094 -0.074 0.000 1.053 164 V CA 2.147 64.394 62.300 -0.088 0.000 1.027 164 V CB -1.209 30.557 31.823 -0.095 0.000 0.646 164 V HN 0.433 nan 8.190 nan 0.000 0.447 165 D N 1.337 121.704 120.400 -0.054 0.000 2.116 165 D HA -0.141 4.499 4.640 0.001 0.000 0.193 165 D C 2.343 178.607 176.300 -0.060 0.000 0.998 165 D CA 2.315 56.300 54.000 -0.025 0.000 0.836 165 D CB -0.668 40.143 40.800 0.018 0.000 0.951 165 D HN 0.629 nan 8.370 nan 0.000 0.449 166 A N 0.613 123.375 122.820 -0.097 0.000 1.865 166 A HA -0.190 4.130 4.320 0.001 0.000 0.217 166 A C 2.399 179.747 177.584 -0.393 0.000 1.191 166 A CA 1.394 53.191 52.037 -0.399 0.000 0.623 166 A CB -0.937 17.867 19.000 -0.327 0.000 0.826 166 A HN 0.264 nan 8.150 nan 0.000 0.444 167 I N 0.112 120.552 120.570 -0.216 0.000 2.248 167 I HA -0.291 3.880 4.170 0.001 0.000 0.248 167 I C 2.024 178.081 176.117 -0.100 0.000 1.107 167 I CA 1.284 62.498 61.300 -0.144 0.000 1.373 167 I CB -0.486 37.460 38.000 -0.090 0.000 1.055 167 I HN 0.340 nan 8.210 nan 0.000 0.418 168 N N 0.249 118.896 118.700 -0.089 0.000 2.354 168 N HA -0.162 4.578 4.740 0.001 0.000 0.179 168 N C 1.890 177.370 175.510 -0.051 0.000 1.021 168 N CA 0.859 53.882 53.050 -0.046 0.000 0.887 168 N CB -0.073 38.396 38.487 -0.030 0.000 0.974 168 N HN 0.309 nan 8.380 nan 0.000 0.437 169 Q N 0.737 120.474 119.800 -0.104 0.000 2.167 169 Q HA 0.028 4.369 4.340 0.001 0.000 0.202 169 Q C 1.848 177.781 176.000 -0.110 0.000 0.970 169 Q CA 0.587 56.337 55.803 -0.087 0.000 0.855 169 Q CB -0.269 28.413 28.738 -0.093 0.000 0.911 169 Q HN 0.259 nan 8.270 nan 0.000 0.438 170 L N -0.088 121.042 121.223 -0.155 0.000 2.109 170 L HA -0.015 4.325 4.340 0.001 0.000 0.207 170 L C 2.213 179.092 176.870 0.014 0.000 1.086 170 L CA 1.654 56.414 54.840 -0.133 0.000 0.760 170 L CB -0.413 41.575 42.059 -0.117 0.000 0.910 170 L HN 0.096 nan 8.230 nan 0.000 0.437 171 R N -0.334 120.206 120.500 0.067 0.000 2.081 171 R HA -0.172 4.169 4.340 0.001 0.000 0.235 171 R C 2.148 178.519 176.300 0.118 0.000 1.131 171 R CA 1.836 58.022 56.100 0.143 0.000 0.960 171 R CB -0.191 30.154 30.300 0.074 0.000 0.856 171 R HN 0.514 nan 8.270 nan 0.000 0.436 172 E N -1.141 119.086 120.200 0.044 0.000 2.118 172 E HA -0.153 4.197 4.350 0.001 0.000 0.195 172 E C 1.810 178.421 176.600 0.019 0.000 0.992 172 E CA 1.140 57.557 56.400 0.029 0.000 0.804 172 E CB -0.125 29.578 29.700 0.005 0.000 0.741 172 E HN 0.565 nan 8.360 nan 0.000 0.458 173 G N 0.382 109.168 108.800 -0.024 0.000 2.394 173 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 173 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 173 G C 1.216 176.097 174.900 -0.031 0.000 1.165 173 G CA 0.152 45.199 45.100 -0.089 0.000 0.784 173 G HN 0.118 nan 8.290 nan 0.000 0.535 174 F N 1.433 121.414 119.950 0.052 0.000 2.234 174 F HA 0.058 4.586 4.527 0.000 0.000 0.299 174 F C 2.699 178.594 175.800 0.159 0.000 1.087 174 F CA 0.873 58.970 58.000 0.162 0.000 1.340 174 F CB -0.073 39.002 39.000 0.125 0.000 1.031 174 F HN 0.098 nan 8.300 nan 0.000 0.500 175 E N 0.478 120.830 120.200 0.253 0.000 2.012 175 E HA -0.230 4.120 4.350 0.001 0.000 0.197 175 E C 2.263 178.902 176.600 0.064 0.000 1.007 175 E CA 1.488 57.974 56.400 0.143 0.000 0.816 175 E CB -0.556 29.195 29.700 0.085 0.000 0.762 175 E HN 0.394 nan 8.360 nan 0.000 0.451 176 R N 0.789 121.293 120.500 0.007 0.000 2.211 176 R HA -0.154 4.186 4.340 0.001 0.000 0.240 176 R C 2.200 178.398 176.300 -0.170 0.000 1.144 176 R CA 1.200 57.260 56.100 -0.068 0.000 0.992 176 R CB -0.180 30.074 30.300 -0.077 0.000 0.869 176 R HN -0.069 nan 8.270 nan 0.000 0.462 177 K N 0.342 120.635 120.400 -0.179 0.000 2.243 177 K HA 0.120 4.441 4.320 0.001 0.000 0.201 177 K C 1.789 178.126 176.600 -0.437 0.000 1.051 177 K CA 0.955 56.939 56.287 -0.505 0.000 0.970 177 K CB 0.077 32.328 32.500 -0.414 0.000 0.755 177 K HN 0.178 nan 8.250 nan 0.000 0.465 178 A N -0.093 122.707 122.820 -0.034 0.000 2.014 178 A HA -0.035 4.285 4.320 0.001 0.000 0.218 178 A C 2.000 179.586 177.584 0.003 0.000 1.163 178 A CA 1.179 53.270 52.037 0.089 0.000 0.652 178 A CB -0.299 18.808 19.000 0.180 0.000 0.808 178 A HN 0.063 nan 8.150 nan 0.000 0.449 179 V N -0.046 119.835 119.914 -0.055 0.000 2.488 179 V HA -0.179 3.942 4.120 0.001 0.000 0.246 179 V C 2.256 178.299 176.094 -0.086 0.000 1.046 179 V CA 1.870 64.140 62.300 -0.051 0.000 1.053 179 V CB -0.746 31.048 31.823 -0.048 0.000 0.679 179 V HN 0.586 nan 8.190 nan 0.000 0.458 180 E N 0.256 120.330 120.200 -0.210 0.000 2.005 180 E HA -0.126 4.224 4.350 0.001 0.000 0.191 180 E C 2.005 178.585 176.600 -0.033 0.000 0.987 180 E CA 1.332 57.602 56.400 -0.218 0.000 0.814 180 E CB -0.242 29.158 29.700 -0.500 0.000 0.772 180 E HN 0.544 nan 8.360 nan 0.000 0.453 181 F N 2.486 122.379 119.950 -0.096 0.000 2.641 181 F HA -0.107 4.420 4.527 0.001 0.000 0.298 181 F C 2.332 178.111 175.800 -0.035 0.000 1.146 181 F CA 0.796 58.742 58.000 -0.090 0.000 1.464 181 F CB -1.228 37.671 39.000 -0.168 0.000 1.101 181 F HN 0.146 nan 8.300 nan 0.000 0.585 182 Q N 0.237 120.120 119.800 0.138 0.000 2.268 182 Q HA -0.273 4.068 4.340 0.001 0.000 0.213 182 Q C 0.516 176.565 176.000 0.081 0.000 0.995 182 Q CA 2.278 58.138 55.803 0.096 0.000 0.901 182 Q CB -0.728 28.043 28.738 0.055 0.000 0.921 182 Q HN 0.284 nan 8.270 nan 0.000 0.421 183 D N 0.438 120.884 120.400 0.076 0.000 2.339 183 D HA 0.230 4.870 4.640 0.001 0.000 0.217 183 D C 0.126 176.460 176.300 0.056 0.000 1.050 183 D CA 0.126 54.161 54.000 0.058 0.000 0.856 183 D CB 0.168 40.996 40.800 0.047 0.000 0.922 183 D HN 0.356 nan 8.370 nan 0.000 0.518 184 I N 1.317 121.922 120.570 0.059 0.000 2.371 184 I HA 0.092 4.262 4.170 0.001 0.000 0.290 184 I C -0.134 176.004 176.117 0.034 0.000 1.028 184 I CA -0.742 60.572 61.300 0.023 0.000 1.345 184 I CB 0.949 38.928 38.000 -0.035 0.000 1.407 184 I HN -0.352 nan 8.210 nan 0.000 0.501 185 L N 7.632 128.884 121.223 0.048 0.000 2.312 185 L HA 0.429 4.770 4.340 0.001 0.000 0.281 185 L C -0.020 176.878 176.870 0.046 0.000 1.070 185 L CA 0.099 54.980 54.840 0.068 0.000 0.805 185 L CB 0.952 43.094 42.059 0.139 0.000 1.174 185 L HN 0.598 nan 8.230 nan 0.000 0.434 186 K N 2.111 122.539 120.400 0.047 0.000 2.527 186 K HA 0.681 5.002 4.320 0.001 0.000 0.260 186 K C -1.075 175.570 176.600 0.075 0.000 0.937 186 K CA -0.902 55.417 56.287 0.053 0.000 0.826 186 K CB 1.625 34.144 32.500 0.031 0.000 1.359 186 K HN 0.300 nan 8.250 nan 0.000 0.434 187 M N 2.884 122.558 119.600 0.123 0.000 2.201 187 M HA 0.305 4.786 4.480 0.001 0.000 0.345 187 M C 0.010 176.352 176.300 0.070 0.000 1.352 187 M CA 0.086 55.438 55.300 0.087 0.000 1.218 187 M CB 0.645 33.306 32.600 0.101 0.000 1.512 187 M HN 0.828 nan 8.290 nan 0.000 0.447 188 G N 4.970 113.791 108.800 0.035 0.000 2.559 188 G HA2 0.391 4.352 3.960 0.001 0.000 0.235 188 G HA3 0.391 4.352 3.960 0.001 0.000 0.235 188 G C -0.832 174.077 174.900 0.015 0.000 1.266 188 G CA -0.668 44.445 45.100 0.020 0.000 0.847 188 G HN 0.856 nan 8.290 nan 0.000 0.583 189 R N -0.048 120.458 120.500 0.010 0.000 2.531 189 R HA 0.452 4.793 4.340 0.001 0.000 0.293 189 R C -0.517 175.780 176.300 -0.005 0.000 1.124 189 R CA -0.775 55.328 56.100 0.004 0.000 0.945 189 R CB 0.637 30.945 30.300 0.013 0.000 1.195 189 R HN 0.550 nan 8.270 nan 0.000 0.433 190 T N 0.132 114.679 114.554 -0.010 0.000 2.869 190 T HA 0.154 4.504 4.350 0.001 0.000 0.295 190 T C 0.421 175.116 174.700 -0.009 0.000 0.987 190 T CA -0.583 61.509 62.100 -0.013 0.000 1.109 190 T CB 1.164 70.023 68.868 -0.016 0.000 0.932 190 T HN 0.789 nan 8.240 nan 0.000 0.518 191 Q N 1.279 121.074 119.800 -0.008 0.000 2.480 191 Q HA -0.232 4.108 4.340 0.001 0.000 0.265 191 Q C 0.812 176.811 176.000 -0.002 0.000 1.072 191 Q CA 0.654 56.455 55.803 -0.005 0.000 1.018 191 Q CB -1.934 26.800 28.738 -0.006 0.000 1.433 191 Q HN 0.913 nan 8.270 nan 0.000 0.513 192 L N -4.055 117.168 121.223 -0.000 0.000 4.733 192 L HA -0.320 4.020 4.340 0.001 0.000 0.388 192 L C 0.530 177.397 176.870 -0.004 0.000 0.773 192 L CA 1.684 56.526 54.840 0.003 0.000 2.353 192 L CB -1.307 40.755 42.059 0.005 0.000 1.139 192 L HN 0.365 nan 8.230 nan 0.000 0.635 193 Q N 1.929 121.725 119.800 -0.008 0.000 2.352 193 Q HA 0.169 4.509 4.340 0.001 0.000 0.260 193 Q C -0.206 175.786 176.000 -0.014 0.000 0.976 193 Q CA 0.274 56.069 55.803 -0.013 0.000 0.881 193 Q CB 0.467 29.198 28.738 -0.012 0.000 1.235 193 Q HN 0.102 nan 8.270 nan 0.000 0.419 194 D N 0.933 121.321 120.400 -0.020 0.000 2.488 194 D HA 0.136 4.776 4.640 0.001 0.000 0.238 194 D C 0.307 176.598 176.300 -0.015 0.000 1.138 194 D CA 0.245 54.234 54.000 -0.018 0.000 0.873 194 D CB 0.916 41.698 40.800 -0.029 0.000 1.183 194 D HN 0.574 nan 8.370 nan 0.000 0.458 195 A N 2.409 125.222 122.820 -0.012 0.000 3.110 195 A HA 0.625 4.946 4.320 0.001 0.000 0.206 195 A C 0.152 177.725 177.584 -0.018 0.000 2.150 195 A CA 0.361 52.389 52.037 -0.014 0.000 1.708 195 A CB 0.056 19.048 19.000 -0.014 0.000 1.207 195 A HN 0.482 nan 8.150 nan 0.000 0.367 196 V N -3.892 116.011 119.914 -0.018 0.000 3.159 196 V HA 0.574 4.695 4.120 0.001 0.000 0.308 196 V C -3.083 172.996 176.094 -0.026 0.000 1.190 196 V CA -2.547 59.736 62.300 -0.029 0.000 1.037 196 V CB 1.458 33.261 31.823 -0.033 0.000 1.060 196 V HN 0.518 nan 8.190 nan 0.000 0.437 197 P HA 0.209 nan 4.420 nan 0.000 0.262 197 P C -0.734 176.549 177.300 -0.028 0.000 1.182 197 P CA 0.425 63.502 63.100 -0.039 0.000 0.761 197 P CB 0.409 32.055 31.700 -0.090 0.000 0.795 198 M N 0.486 120.083 119.600 -0.004 0.000 2.644 198 M HA 0.521 5.001 4.480 0.001 0.000 0.273 198 M C -0.663 175.653 176.300 0.027 0.000 1.253 198 M CA -0.869 54.434 55.300 0.005 0.000 0.852 198 M CB 2.105 34.707 32.600 0.005 0.000 1.708 198 M HN 0.164 nan 8.290 nan 0.000 0.471 199 T N -0.125 114.452 114.554 0.038 0.000 2.856 199 T HA 0.357 4.707 4.350 0.001 0.000 0.292 199 T C 0.543 175.301 174.700 0.097 0.000 0.980 199 T CA -0.835 61.302 62.100 0.061 0.000 1.091 199 T CB 1.219 70.126 68.868 0.065 0.000 0.936 199 T HN 0.751 nan 8.240 nan 0.000 0.503 200 L N 2.976 124.264 121.223 0.108 0.000 2.633 200 L HA 0.277 4.617 4.340 0.001 0.000 0.235 200 L C 1.894 178.945 176.870 0.302 0.000 1.163 200 L CA 1.335 56.280 54.840 0.175 0.000 0.859 200 L CB -1.144 40.947 42.059 0.053 0.000 0.973 200 L HN 0.980 nan 8.230 nan 0.000 0.451 201 G N -1.408 107.529 108.800 0.228 0.000 2.459 201 G HA2 -0.149 3.811 3.960 0.001 0.000 0.213 201 G HA3 -0.149 3.811 3.960 0.001 0.000 0.213 201 G C 1.399 176.433 174.900 0.223 0.000 1.155 201 G CA 0.346 45.583 45.100 0.229 0.000 0.811 201 G HN 0.473 nan 8.290 nan 0.000 0.534 202 Q N -0.107 119.785 119.800 0.153 0.000 2.079 202 Q HA -0.016 4.324 4.340 0.001 0.000 0.200 202 Q C 2.326 178.370 176.000 0.072 0.000 0.974 202 Q CA 1.233 57.090 55.803 0.091 0.000 0.840 202 Q CB -0.084 28.678 28.738 0.040 0.000 0.898 202 Q HN 0.618 nan 8.270 nan 0.000 0.430 203 E N -0.199 120.069 120.200 0.112 0.000 2.118 203 E HA -0.203 4.147 4.350 0.001 0.000 0.195 203 E C 1.298 177.850 176.600 -0.081 0.000 0.992 203 E CA 0.960 57.344 56.400 -0.027 0.000 0.804 203 E CB 0.029 29.778 29.700 0.081 0.000 0.741 203 E HN 0.273 nan 8.360 nan 0.000 0.458 204 F N 0.223 120.280 119.950 0.178 0.000 2.325 204 F HA -0.001 4.526 4.527 0.000 0.000 0.299 204 F C 2.431 178.332 175.800 0.169 0.000 1.090 204 F CA 0.847 59.087 58.000 0.400 0.000 1.392 204 F CB -0.124 39.134 39.000 0.430 0.000 1.053 204 F HN -0.041 nan 8.300 nan 0.000 0.521 205 R N 0.830 121.443 120.500 0.188 0.000 2.189 205 R HA 0.042 4.382 4.340 0.001 0.000 0.218 205 R C 2.019 178.289 176.300 -0.049 0.000 1.074 205 R CA 1.200 57.347 56.100 0.079 0.000 0.991 205 R CB -0.716 29.622 30.300 0.063 0.000 0.883 205 R HN 0.142 nan 8.270 nan 0.000 0.457 206 A N -0.400 122.312 122.820 -0.178 0.000 1.930 206 A HA -0.035 4.286 4.320 0.001 0.000 0.217 206 A C 1.748 179.109 177.584 -0.372 0.000 1.175 206 A CA 1.033 52.888 52.037 -0.302 0.000 0.627 206 A CB -0.613 18.125 19.000 -0.436 0.000 0.815 206 A HN 0.309 nan 8.150 nan 0.000 0.443 207 F N 0.310 120.040 119.950 -0.365 0.000 2.051 207 F HA -0.161 4.366 4.527 0.000 0.000 0.296 207 F C 3.042 178.587 175.800 -0.425 0.000 1.122 207 F CA 1.553 59.172 58.000 -0.635 0.000 1.201 207 F CB -0.994 37.160 39.000 -1.410 0.000 0.978 207 F HN 0.269 nan 8.300 nan 0.000 0.472 208 S N 0.333 116.007 115.700 -0.043 0.000 2.365 208 S HA -0.211 4.260 4.470 0.001 0.000 0.225 208 S C 2.168 176.769 174.600 0.001 0.000 1.039 208 S CA 1.642 59.872 58.200 0.050 0.000 1.033 208 S CB -0.653 62.616 63.200 0.115 0.000 0.887 208 S HN 0.330 nan 8.310 nan 0.000 0.447 209 I N 1.070 121.622 120.570 -0.030 0.000 2.394 209 I HA -0.113 4.057 4.170 0.001 0.000 0.251 209 I C 2.379 178.462 176.117 -0.056 0.000 1.136 209 I CA 0.795 62.071 61.300 -0.040 0.000 1.425 209 I CB -0.256 37.715 38.000 -0.047 0.000 1.079 209 I HN 0.398 nan 8.210 nan 0.000 0.425 210 L N 0.679 121.851 121.223 -0.085 0.000 1.976 210 L HA -0.230 4.111 4.340 0.001 0.000 0.209 210 L C 2.528 179.367 176.870 -0.052 0.000 1.071 210 L CA 1.712 56.502 54.840 -0.084 0.000 0.746 210 L CB -0.214 41.776 42.059 -0.115 0.000 0.890 210 L HN 0.174 nan 8.230 nan 0.000 0.432 211 L N 0.260 121.460 121.223 -0.038 0.000 2.042 211 L HA -0.277 4.063 4.340 0.001 0.000 0.210 211 L C 2.696 179.556 176.870 -0.018 0.000 1.076 211 L CA 1.989 56.819 54.840 -0.016 0.000 0.749 211 L CB -0.895 41.176 42.059 0.020 0.000 0.893 211 L HN 0.392 nan 8.230 nan 0.000 0.432 212 K N 0.261 120.652 120.400 -0.014 0.000 2.074 212 K HA -0.220 4.101 4.320 0.001 0.000 0.209 212 K C 1.857 178.444 176.600 -0.022 0.000 1.048 212 K CA 1.702 57.981 56.287 -0.014 0.000 0.926 212 K CB -0.169 32.325 32.500 -0.010 0.000 0.713 212 K HN 0.166 nan 8.250 nan 0.000 0.444 213 E N 0.339 120.522 120.200 -0.028 0.000 2.285 213 E HA -0.117 4.234 4.350 0.001 0.000 0.194 213 E C 1.844 178.425 176.600 -0.031 0.000 0.997 213 E CA 0.802 57.185 56.400 -0.029 0.000 0.845 213 E CB 0.070 29.750 29.700 -0.033 0.000 0.782 213 E HN 0.447 nan 8.360 nan 0.000 0.491 214 E N 0.640 120.820 120.200 -0.033 0.000 2.107 214 E HA -0.073 4.278 4.350 0.001 0.000 0.191 214 E C 2.008 178.583 176.600 -0.041 0.000 0.982 214 E CA 0.494 56.872 56.400 -0.037 0.000 0.809 214 E CB -0.051 29.627 29.700 -0.036 0.000 0.756 214 E HN -0.016 nan 8.360 nan 0.000 0.459 215 V N 1.300 121.191 119.914 -0.039 0.000 2.270 215 V HA -0.243 3.878 4.120 0.001 0.000 0.245 215 V C 2.186 178.253 176.094 -0.045 0.000 1.043 215 V CA 2.098 64.371 62.300 -0.046 0.000 1.014 215 V CB -0.474 31.325 31.823 -0.040 0.000 0.645 215 V HN 0.258 nan 8.190 nan 0.000 0.447 216 K N 0.444 120.823 120.400 -0.035 0.000 2.160 216 K HA -0.233 4.087 4.320 0.001 0.000 0.206 216 K C 2.059 178.640 176.600 -0.031 0.000 1.047 216 K CA 1.546 57.815 56.287 -0.030 0.000 0.930 216 K CB -0.461 32.025 32.500 -0.023 0.000 0.720 216 K HN 0.493 nan 8.250 nan 0.000 0.450 217 N N 1.294 119.974 118.700 -0.034 0.000 2.216 217 N HA -0.123 4.618 4.740 0.001 0.000 0.183 217 N C 1.656 177.142 175.510 -0.040 0.000 1.017 217 N CA 0.797 53.827 53.050 -0.033 0.000 0.861 217 N CB 0.198 38.665 38.487 -0.032 0.000 0.986 217 N HN 0.027 nan 8.380 nan 0.000 0.428 218 I N 2.294 122.832 120.570 -0.053 0.000 2.133 218 I HA -0.259 3.911 4.170 0.001 0.000 0.238 218 I C 2.527 178.600 176.117 -0.073 0.000 1.074 218 I CA 1.219 62.476 61.300 -0.071 0.000 1.342 218 I CB -1.604 36.341 38.000 -0.091 0.000 1.053 218 I HN 0.374 nan 8.210 nan 0.000 0.404 219 Q N 0.818 120.575 119.800 -0.071 0.000 2.364 219 Q HA -0.188 4.152 4.340 0.001 0.000 0.209 219 Q C 2.142 178.133 176.000 -0.016 0.000 0.977 219 Q CA 0.941 56.708 55.803 -0.060 0.000 0.885 219 Q CB -0.324 28.380 28.738 -0.056 0.000 0.941 219 Q HN 0.469 nan 8.270 nan 0.000 0.464 220 R N 1.358 121.844 120.500 -0.023 0.000 2.082 220 R HA -0.093 4.247 4.340 0.001 0.000 0.218 220 R C 1.999 178.292 176.300 -0.012 0.000 1.171 220 R CA 2.138 58.230 56.100 -0.015 0.000 0.914 220 R CB -0.618 29.670 30.300 -0.020 0.000 0.806 220 R HN 0.276 nan 8.270 nan 0.000 0.453 221 T N 1.332 115.874 114.554 -0.021 0.000 2.714 221 T HA -0.261 4.089 4.350 0.001 0.000 0.268 221 T C 1.862 176.553 174.700 -0.015 0.000 1.036 221 T CA 1.418 63.505 62.100 -0.023 0.000 1.148 221 T CB -0.641 68.212 68.868 -0.026 0.000 0.856 221 T HN 0.533 nan 8.240 nan 0.000 0.462 222 A N 2.828 125.646 122.820 -0.003 0.000 1.849 222 A HA -0.265 4.055 4.320 0.001 0.000 0.216 222 A C 2.227 179.884 177.584 0.123 0.000 1.225 222 A CA 2.466 54.537 52.037 0.057 0.000 0.653 222 A CB -1.112 17.897 19.000 0.015 0.000 0.844 222 A HN 0.693 nan 8.150 nan 0.000 0.453 223 E N 0.756 121.041 120.200 0.142 0.000 2.352 223 E HA -0.213 4.138 4.350 0.001 0.000 0.203 223 E C 1.491 178.033 176.600 -0.097 0.000 1.024 223 E CA 1.661 58.045 56.400 -0.026 0.000 0.842 223 E CB -0.922 28.769 29.700 -0.016 0.000 0.753 223 E HN 0.650 nan 8.360 nan 0.000 0.508 224 L N 0.073 121.261 121.223 -0.058 0.000 2.042 224 L HA -0.180 4.160 4.340 0.001 0.000 0.210 224 L C 2.511 179.318 176.870 -0.105 0.000 1.076 224 L CA 1.388 56.182 54.840 -0.076 0.000 0.749 224 L CB -0.559 41.461 42.059 -0.066 0.000 0.893 224 L HN 0.226 nan 8.230 nan 0.000 0.432 225 L N -0.700 120.460 121.223 -0.104 0.000 2.051 225 L HA -0.302 4.038 4.340 0.001 0.000 0.214 225 L C 2.476 179.249 176.870 -0.162 0.000 1.076 225 L CA 0.982 55.749 54.840 -0.122 0.000 0.758 225 L CB -0.752 41.250 42.059 -0.094 0.000 0.890 225 L HN 0.293 nan 8.230 nan 0.000 0.433 226 L N 0.230 121.299 121.223 -0.257 0.000 2.357 226 L HA -0.180 4.160 4.340 0.001 0.000 0.220 226 L C 0.958 177.747 176.870 -0.134 0.000 1.123 226 L CA 1.478 56.165 54.840 -0.255 0.000 0.782 226 L CB -1.065 40.804 42.059 -0.315 0.000 0.910 226 L HN 0.425 nan 8.230 nan 0.000 0.442 227 E N 0.480 120.615 120.200 -0.109 0.000 1.932 227 E HA 0.228 4.578 4.350 0.001 0.000 0.275 227 E C 0.077 176.646 176.600 -0.053 0.000 1.159 227 E CA -0.264 56.092 56.400 -0.072 0.000 0.905 227 E CB 0.654 30.313 29.700 -0.069 0.000 1.059 227 E HN 0.145 nan 8.360 nan 0.000 0.400 228 V N 0.589 120.483 119.914 -0.034 0.000 3.302 228 V HA 0.551 4.671 4.120 0.001 0.000 0.304 228 V C -0.351 175.751 176.094 0.013 0.000 1.209 228 V CA -1.108 61.190 62.300 -0.004 0.000 1.032 228 V CB 2.092 33.916 31.823 0.001 0.000 1.219 228 V HN 0.632 nan 8.190 nan 0.000 0.469 229 N N 0.580 119.303 118.700 0.039 0.000 2.594 229 N HA 0.340 5.080 4.740 0.001 0.000 0.280 229 N C -1.840 173.714 175.510 0.074 0.000 1.156 229 N CA -0.292 52.790 53.050 0.053 0.000 0.831 229 N CB 1.871 40.395 38.487 0.063 0.000 1.379 229 N HN 0.657 nan 8.380 nan 0.000 0.536 230 L N 1.878 123.144 121.223 0.071 0.000 2.276 230 L HA 0.605 4.945 4.340 0.001 0.000 0.286 230 L C 0.652 177.641 176.870 0.198 0.000 1.024 230 L CA 0.657 55.556 54.840 0.099 0.000 0.826 230 L CB 0.543 42.621 42.059 0.032 0.000 1.211 230 L HN 0.849 nan 8.230 nan 0.000 0.422 231 G N 3.951 112.881 108.800 0.216 0.000 2.684 231 G HA2 0.263 4.224 3.960 0.001 0.000 0.229 231 G HA3 0.263 4.224 3.960 0.001 0.000 0.229 231 G C 0.032 175.029 174.900 0.161 0.000 0.927 231 G CA 0.178 45.423 45.100 0.243 0.000 1.147 231 G HN 1.485 nan 8.290 nan 0.000 0.402 232 A N 0.940 123.818 122.820 0.095 0.000 2.757 232 A HA 0.751 5.071 4.320 0.001 0.000 0.124 232 A C 1.026 178.641 177.584 0.051 0.000 1.463 232 A CA 1.262 53.340 52.037 0.068 0.000 2.270 232 A CB -0.473 18.574 19.000 0.078 0.000 2.291 232 A HN 2.150 nan 8.150 nan 0.000 0.989 233 T N 0.577 115.166 114.554 0.058 0.000 2.939 233 T HA 0.437 4.787 4.350 0.001 0.000 0.319 233 T C 0.594 175.325 174.700 0.051 0.000 1.082 233 T CA 1.576 63.707 62.100 0.052 0.000 1.133 233 T CB 0.724 69.627 68.868 0.058 0.000 1.019 233 T HN 2.042 nan 8.240 nan 0.000 0.548 234 A N 3.056 125.901 122.820 0.042 0.000 2.408 234 A HA 0.295 4.615 4.320 0.001 0.000 0.195 234 A C 0.837 178.440 177.584 0.031 0.000 2.215 234 A CA 0.385 52.445 52.037 0.038 0.000 1.224 234 A CB -0.533 18.485 19.000 0.030 0.000 0.924 234 A HN 0.949 nan 8.150 nan 0.000 0.450 235 I N -5.825 114.763 120.570 0.030 0.000 3.918 235 I HA 0.551 4.721 4.170 0.001 0.000 0.272 235 I C 0.944 177.076 176.117 0.024 0.000 1.070 235 I CA 0.084 61.398 61.300 0.025 0.000 1.366 235 I CB 0.010 38.022 38.000 0.019 0.000 1.983 235 I HN 0.323 nan 8.210 nan 0.000 0.392 236 G N 0.941 109.755 108.800 0.023 0.000 3.321 236 G HA2 0.280 4.241 3.960 0.001 0.000 0.169 236 G HA3 0.280 4.241 3.960 0.001 0.000 0.169 236 G C 0.393 175.307 174.900 0.023 0.000 1.153 236 G CA 0.756 45.869 45.100 0.021 0.000 1.007 236 G HN 0.005 nan 8.290 nan 0.000 0.668 237 T N 0.841 115.407 114.554 0.020 0.000 2.882 237 T HA 0.281 4.631 4.350 0.001 0.000 0.268 237 T C 1.083 175.798 174.700 0.026 0.000 1.104 237 T CA 2.273 64.385 62.100 0.021 0.000 1.118 237 T CB -0.807 68.071 68.868 0.017 0.000 0.831 237 T HN 2.034 nan 8.240 nan 0.000 0.529 238 G N -0.322 108.492 108.800 0.024 0.000 2.515 238 G HA2 0.097 4.057 3.960 0.001 0.000 0.686 238 G HA3 0.097 4.057 3.960 0.001 0.000 0.686 238 G C -0.836 174.071 174.900 0.012 0.000 1.274 238 G CA -1.038 44.077 45.100 0.025 0.000 0.874 238 G HN 0.121 nan 8.290 nan 0.000 0.631 239 L N 0.025 121.250 121.223 0.004 0.000 2.777 239 L HA 0.355 4.695 4.340 0.001 0.000 0.195 239 L C 1.720 178.575 176.870 -0.025 0.000 1.190 239 L CA -0.224 54.609 54.840 -0.011 0.000 0.933 239 L CB -0.035 42.013 42.059 -0.018 0.000 1.758 239 L HN 0.770 nan 8.230 nan 0.000 0.515 240 N N -0.451 118.224 118.700 -0.041 0.000 2.715 240 N HA -0.063 4.677 4.740 0.001 0.000 0.254 240 N C 1.063 176.515 175.510 -0.097 0.000 1.306 240 N CA 0.199 53.216 53.050 -0.054 0.000 0.956 240 N CB -0.026 38.432 38.487 -0.048 0.000 1.296 240 N HN 0.559 nan 8.380 nan 0.000 0.512 241 T N -3.563 110.930 114.554 -0.101 0.000 3.043 241 T HA 0.114 4.465 4.350 0.001 0.000 0.263 241 T C -1.509 173.172 174.700 -0.031 0.000 1.094 241 T CA -0.517 61.476 62.100 -0.179 0.000 1.127 241 T CB -0.695 68.105 68.868 -0.114 0.000 0.905 241 T HN 0.092 nan 8.240 nan 0.000 0.490 242 P HA -0.117 nan 4.420 nan 0.000 0.279 242 P C 0.201 177.546 177.300 0.075 0.000 1.322 242 P CA 0.757 63.887 63.100 0.050 0.000 0.923 242 P CB 0.148 31.862 31.700 0.023 0.000 0.886 243 K N -0.778 119.660 120.400 0.063 0.000 1.154 243 K HA -0.257 4.063 4.320 0.001 0.000 0.809 243 K C 1.226 177.881 176.600 0.091 0.000 2.382 243 K CA 1.057 57.382 56.287 0.063 0.000 1.525 243 K CB -1.197 31.336 32.500 0.054 0.000 2.768 243 K HN 0.587 nan 8.250 nan 0.000 0.182 244 E N -0.193 120.048 120.200 0.069 0.000 2.446 244 E HA -0.409 3.941 4.350 0.001 0.000 0.248 244 E C 1.454 178.097 176.600 0.070 0.000 1.081 244 E CA 2.631 59.065 56.400 0.057 0.000 1.143 244 E CB -0.624 29.105 29.700 0.049 0.000 1.012 244 E HN 0.497 nan 8.360 nan 0.000 0.487 245 Y N 1.359 121.663 120.300 0.007 0.000 1.473 245 Y HA -0.452 4.098 4.550 0.001 0.000 0.126 245 Y C 2.681 178.587 175.900 0.009 0.000 0.779 245 Y CA 2.604 60.709 58.100 0.009 0.000 0.616 245 Y CB -1.003 37.463 38.460 0.010 0.000 0.626 245 Y HN 0.044 nan 8.280 nan 0.000 0.706 246 S N 1.272 117.111 115.700 0.232 0.000 2.393 246 S HA -0.258 4.212 4.470 0.001 0.000 0.235 246 S C -0.404 174.180 174.600 -0.026 0.000 1.061 246 S CA 2.416 60.685 58.200 0.114 0.000 1.129 246 S CB -1.902 61.416 63.200 0.197 0.000 1.011 246 S HN 0.627 nan 8.310 nan 0.000 0.436 247 P HA 0.040 nan 4.420 nan 0.000 0.220 247 P C 1.561 178.825 177.300 -0.059 0.000 1.152 247 P CA 0.714 63.800 63.100 -0.023 0.000 0.812 247 P CB -0.054 31.645 31.700 -0.003 0.000 0.792 248 L N -0.055 121.120 121.223 -0.080 0.000 2.141 248 L HA -0.006 4.334 4.340 0.001 0.000 0.209 248 L C 2.525 179.299 176.870 -0.161 0.000 1.094 248 L CA 1.598 56.378 54.840 -0.100 0.000 0.763 248 L CB -1.306 40.702 42.059 -0.086 0.000 0.908 248 L HN -0.106 nan 8.230 nan 0.000 0.437 249 A N -0.843 121.813 122.820 -0.273 0.000 1.854 249 A HA -0.133 4.188 4.320 0.001 0.000 0.214 249 A C 2.260 179.746 177.584 -0.164 0.000 1.192 249 A CA 1.882 53.735 52.037 -0.307 0.000 0.611 249 A CB -1.277 17.399 19.000 -0.540 0.000 0.832 249 A HN 0.389 nan 8.150 nan 0.000 0.442 250 V N -0.637 119.203 119.914 -0.122 0.000 2.568 250 V HA -0.279 3.841 4.120 0.001 0.000 0.253 250 V C 2.164 178.221 176.094 -0.061 0.000 1.072 250 V CA 2.643 64.902 62.300 -0.068 0.000 1.084 250 V CB -0.970 30.827 31.823 -0.043 0.000 0.676 250 V HN 0.650 nan 8.190 nan 0.000 0.469 251 K N 0.671 121.029 120.400 -0.070 0.000 2.007 251 K HA -0.204 4.117 4.320 0.001 0.000 0.206 251 K C 2.282 178.846 176.600 -0.060 0.000 1.047 251 K CA 1.787 58.040 56.287 -0.057 0.000 0.937 251 K CB -0.224 32.243 32.500 -0.054 0.000 0.718 251 K HN 0.374 nan 8.250 nan 0.000 0.438 252 K N 1.143 121.498 120.400 -0.075 0.000 2.211 252 K HA -0.006 4.315 4.320 0.001 0.000 0.203 252 K C 1.878 178.437 176.600 -0.068 0.000 1.050 252 K CA 0.617 56.862 56.287 -0.069 0.000 0.945 252 K CB -0.166 32.287 32.500 -0.078 0.000 0.732 252 K HN 0.203 nan 8.250 nan 0.000 0.451 253 L N -0.527 120.655 121.223 -0.069 0.000 2.362 253 L HA -0.085 4.255 4.340 0.001 0.000 0.219 253 L C 1.722 178.554 176.870 -0.062 0.000 1.134 253 L CA 0.967 55.771 54.840 -0.059 0.000 0.807 253 L CB -0.111 41.921 42.059 -0.044 0.000 0.927 253 L HN 0.186 nan 8.230 nan 0.000 0.447 254 A N -1.120 121.666 122.820 -0.057 0.000 2.021 254 A HA -0.077 4.243 4.320 0.001 0.000 0.216 254 A C 2.025 179.562 177.584 -0.078 0.000 1.163 254 A CA 0.668 52.672 52.037 -0.053 0.000 0.676 254 A CB -0.177 18.803 19.000 -0.033 0.000 0.818 254 A HN 0.467 nan 8.150 nan 0.000 0.453 255 E N -0.367 119.789 120.200 -0.073 0.000 2.371 255 E HA -0.007 4.344 4.350 0.001 0.000 0.194 255 E C 1.463 178.008 176.600 -0.092 0.000 1.012 255 E CA 0.615 56.972 56.400 -0.072 0.000 0.860 255 E CB 0.108 29.776 29.700 -0.054 0.000 0.811 255 E HN 0.459 nan 8.360 nan 0.000 0.502 256 V N 0.771 120.620 119.914 -0.108 0.000 2.523 256 V HA -0.191 3.929 4.120 0.001 0.000 0.226 256 V C 2.633 178.600 176.094 -0.210 0.000 1.107 256 V CA 1.854 64.079 62.300 -0.125 0.000 1.121 256 V CB -0.898 30.866 31.823 -0.098 0.000 0.753 256 V HN 0.385 nan 8.190 nan 0.000 0.497 257 T N -0.420 113.966 114.554 -0.280 0.000 2.624 257 T HA -0.181 4.170 4.350 0.001 0.000 0.266 257 T C 1.555 175.737 174.700 -0.864 0.000 1.050 257 T CA 2.380 64.125 62.100 -0.593 0.000 1.163 257 T CB -0.901 67.595 68.868 -0.620 0.000 0.861 257 T HN 1.672 nan 8.240 nan 0.000 0.443 258 G N 0.517 108.973 108.800 -0.574 0.000 2.138 258 G HA2 -0.037 3.923 3.960 0.001 0.000 0.193 258 G HA3 -0.037 3.923 3.960 0.001 0.000 0.193 258 G C -0.250 174.545 174.900 -0.175 0.000 0.998 258 G CA -0.239 44.647 45.100 -0.357 0.000 0.668 258 G HN 0.548 nan 8.290 nan 0.000 0.516 259 F N -0.021 119.907 119.950 -0.036 0.000 2.443 259 F HA 0.557 5.085 4.527 0.001 0.000 0.335 259 F C -2.065 173.665 175.800 -0.115 0.000 1.104 259 F CA -3.552 54.393 58.000 -0.093 0.000 1.013 259 F CB 1.699 40.594 39.000 -0.175 0.000 1.136 259 F HN -0.231 nan 8.300 nan 0.000 0.470 260 P HA 0.083 nan 4.420 nan 0.000 0.238 260 P C -0.696 176.576 177.300 -0.045 0.000 1.729 260 P CA -0.005 63.093 63.100 -0.002 0.000 1.055 260 P CB -0.438 31.252 31.700 -0.017 0.000 1.980 261 C N 1.691 120.977 119.300 -0.024 0.000 2.601 261 C HA 0.398 4.858 4.460 0.001 0.000 0.409 261 C C 0.707 175.671 174.990 -0.043 0.000 1.293 261 C CA -0.208 58.784 59.018 -0.043 0.000 2.101 261 C CB 0.127 27.856 27.740 -0.018 0.000 2.639 261 C HN 0.223 nan 8.230 nan 0.000 0.592 262 V N 4.947 124.831 119.914 -0.050 0.000 2.841 262 V HA 0.481 4.602 4.120 0.001 0.000 0.310 262 V C -2.196 173.878 176.094 -0.033 0.000 1.090 262 V CA -1.398 60.878 62.300 -0.039 0.000 0.930 262 V CB 2.074 33.872 31.823 -0.042 0.000 1.014 262 V HN 0.713 nan 8.190 nan 0.000 0.425 263 P HA 0.252 nan 4.420 nan 0.000 0.272 263 P C -0.336 176.956 177.300 -0.014 0.000 1.223 263 P CA 0.013 63.105 63.100 -0.013 0.000 0.784 263 P CB 0.965 32.662 31.700 -0.006 0.000 0.923 264 A N 2.611 125.426 122.820 -0.008 0.000 2.466 264 A HA 0.013 4.333 4.320 0.001 0.000 0.238 264 A C 1.545 179.123 177.584 -0.009 0.000 1.074 264 A CA 0.162 52.191 52.037 -0.013 0.000 0.774 264 A CB -0.308 18.687 19.000 -0.007 0.000 1.015 264 A HN 0.642 nan 8.150 nan 0.000 0.498 265 E N 1.548 121.739 120.200 -0.014 0.000 2.035 265 E HA -0.188 4.162 4.350 0.001 0.000 0.204 265 E C 0.403 177.001 176.600 -0.004 0.000 1.025 265 E CA 2.079 58.473 56.400 -0.011 0.000 0.835 265 E CB -0.159 29.532 29.700 -0.014 0.000 0.764 265 E HN 0.693 nan 8.360 nan 0.000 0.457 266 D N -0.464 119.934 120.400 -0.003 0.000 2.463 266 D HA 0.316 4.957 4.640 0.001 0.000 0.247 266 D C 0.631 176.936 176.300 0.010 0.000 1.240 266 D CA 0.271 54.273 54.000 0.003 0.000 1.151 266 D CB 0.695 41.496 40.800 0.003 0.000 1.180 266 D HN 0.248 nan 8.370 nan 0.000 0.532 267 L N -1.022 120.209 121.223 0.013 0.000 2.699 267 L HA 0.178 4.519 4.340 0.001 0.000 0.329 267 L C -0.630 176.254 176.870 0.023 0.000 1.244 267 L CA -0.076 54.777 54.840 0.022 0.000 0.762 267 L CB -0.765 41.311 42.059 0.028 0.000 1.042 267 L HN 0.191 nan 8.230 nan 0.000 0.522 268 I N -0.416 120.165 120.570 0.019 0.000 4.227 268 I HA 0.251 4.422 4.170 0.001 0.000 0.334 268 I C 1.151 177.281 176.117 0.022 0.000 1.341 268 I CA 0.465 61.776 61.300 0.020 0.000 1.123 268 I CB 0.692 38.701 38.000 0.014 0.000 1.097 268 I HN 0.498 nan 8.210 nan 0.000 0.399 269 E N 1.590 121.803 120.200 0.021 0.000 3.371 269 E HA 0.652 5.002 4.350 0.001 0.000 0.263 269 E C 1.365 177.988 176.600 0.039 0.000 0.652 269 E CA 0.851 57.265 56.400 0.024 0.000 1.779 269 E CB 0.465 30.171 29.700 0.009 0.000 1.956 269 E HN -0.013 nan 8.360 nan 0.000 0.401 270 A N -1.085 121.758 122.820 0.038 0.000 2.068 270 A HA -0.394 3.927 4.320 0.001 0.000 0.231 270 A C 2.118 179.771 177.584 0.115 0.000 0.430 270 A CA 3.437 55.514 52.037 0.068 0.000 1.105 270 A CB -3.081 15.960 19.000 0.068 0.000 1.437 270 A HN 0.710 nan 8.150 nan 0.000 0.706 271 T N -0.074 114.537 114.554 0.096 0.000 2.653 271 T HA -0.136 4.215 4.350 0.001 0.000 0.268 271 T C 1.223 175.986 174.700 0.105 0.000 1.035 271 T CA 2.468 64.628 62.100 0.101 0.000 1.154 271 T CB -0.423 68.489 68.868 0.073 0.000 0.862 271 T HN 1.012 nan 8.240 nan 0.000 0.441 272 S N 2.768 118.519 115.700 0.085 0.000 3.324 272 S HA 0.187 4.657 4.470 0.001 0.000 0.229 272 S C 0.065 174.728 174.600 0.105 0.000 1.417 272 S CA 0.071 58.319 58.200 0.081 0.000 1.211 272 S CB -1.049 62.184 63.200 0.055 0.000 1.157 272 S HN 0.885 nan 8.310 nan 0.000 0.491 273 D N -0.134 120.365 120.400 0.165 0.000 4.111 273 D HA -0.267 4.373 4.640 0.001 0.000 0.290 273 D C -0.768 175.601 176.300 0.115 0.000 2.255 273 D CA 0.378 54.540 54.000 0.270 0.000 1.109 273 D CB -0.929 40.062 40.800 0.318 0.000 1.034 273 D HN 0.427 nan 8.370 nan 0.000 1.222 274 C N -1.478 117.808 119.300 -0.023 0.000 3.170 274 C HA 0.659 5.120 4.460 0.001 0.000 0.319 274 C C 1.511 176.332 174.990 -0.282 0.000 1.260 274 C CA -0.221 58.639 59.018 -0.264 0.000 1.374 274 C CB 1.268 28.718 27.740 -0.484 0.000 1.739 274 C HN 0.806 nan 8.230 nan 0.000 0.479 275 G N 0.558 109.258 108.800 -0.167 0.000 2.679 275 G HA2 0.162 4.122 3.960 0.001 0.000 0.212 275 G HA3 0.162 4.122 3.960 0.001 0.000 0.212 275 G C 1.443 176.265 174.900 -0.130 0.000 1.137 275 G CA 1.066 46.110 45.100 -0.093 0.000 0.787 275 G HN 1.085 nan 8.290 nan 0.000 0.534 276 A N 0.677 123.330 122.820 -0.279 0.000 1.908 276 A HA -0.052 4.268 4.320 0.001 0.000 0.218 276 A C 2.111 179.629 177.584 -0.110 0.000 1.181 276 A CA 1.480 53.374 52.037 -0.237 0.000 0.627 276 A CB -0.571 18.218 19.000 -0.351 0.000 0.818 276 A HN 0.357 nan 8.150 nan 0.000 0.445 277 Y N 0.114 120.434 120.300 0.033 0.000 2.070 277 Y HA -0.183 4.367 4.550 0.001 0.000 0.280 277 Y C 2.680 178.626 175.900 0.077 0.000 1.148 277 Y CA 0.929 59.070 58.100 0.068 0.000 1.125 277 Y CB -1.410 37.133 38.460 0.139 0.000 0.975 277 Y HN 0.081 nan 8.280 nan 0.000 0.492 278 V N -0.481 119.553 119.914 0.200 0.000 2.392 278 V HA -0.339 3.781 4.120 0.001 0.000 0.249 278 V C 2.391 178.548 176.094 0.104 0.000 1.059 278 V CA 1.616 63.989 62.300 0.123 0.000 1.051 278 V CB -0.693 31.170 31.823 0.067 0.000 0.658 278 V HN 0.318 nan 8.190 nan 0.000 0.455 279 M N 0.465 120.102 119.600 0.063 0.000 2.091 279 M HA -0.125 4.356 4.480 0.001 0.000 0.259 279 M C 2.557 178.886 176.300 0.047 0.000 1.076 279 M CA 2.364 57.685 55.300 0.035 0.000 1.111 279 M CB -1.478 31.118 32.600 -0.006 0.000 1.291 279 M HN 0.451 nan 8.290 nan 0.000 0.417 280 V N -1.487 118.453 119.914 0.044 0.000 2.324 280 V HA -0.290 3.830 4.120 0.001 0.000 0.250 280 V C 2.504 178.619 176.094 0.035 0.000 1.060 280 V CA 2.381 64.692 62.300 0.018 0.000 1.042 280 V CB -1.442 30.377 31.823 -0.006 0.000 0.650 280 V HN 0.517 nan 8.190 nan 0.000 0.450 281 H N 1.410 120.491 119.070 0.018 0.000 2.521 281 H HA 0.032 4.588 4.556 0.000 0.000 0.286 281 H C 2.204 177.537 175.328 0.009 0.000 1.034 281 H CA 1.467 57.525 56.048 0.015 0.000 1.278 281 H CB -0.266 29.523 29.762 0.044 0.000 1.386 281 H HN 0.571 nan 8.280 nan 0.000 0.567 282 G N 0.087 108.984 108.800 0.161 0.000 2.404 282 G HA2 -0.219 3.741 3.960 0.001 0.000 0.215 282 G HA3 -0.219 3.741 3.960 0.001 0.000 0.215 282 G C 1.978 176.903 174.900 0.042 0.000 1.174 282 G CA 1.001 46.164 45.100 0.106 0.000 0.780 282 G HN 0.492 nan 8.290 nan 0.000 0.537 283 A N 0.158 122.980 122.820 0.003 0.000 1.978 283 A HA 0.066 4.387 4.320 0.001 0.000 0.220 283 A C 2.342 179.888 177.584 -0.063 0.000 1.170 283 A CA 1.389 53.407 52.037 -0.032 0.000 0.636 283 A CB -0.324 18.649 19.000 -0.045 0.000 0.810 283 A HN 0.304 nan 8.150 nan 0.000 0.448 284 L N -0.204 120.953 121.223 -0.109 0.000 2.072 284 L HA -0.085 4.255 4.340 0.001 0.000 0.205 284 L C 2.419 179.211 176.870 -0.130 0.000 1.079 284 L CA 2.301 57.030 54.840 -0.186 0.000 0.752 284 L CB -0.596 41.222 42.059 -0.403 0.000 0.906 284 L HN 0.540 nan 8.230 nan 0.000 0.436 285 K N -0.270 120.101 120.400 -0.049 0.000 2.057 285 K HA -0.213 4.108 4.320 0.001 0.000 0.206 285 K C 2.385 178.988 176.600 0.006 0.000 1.050 285 K CA 1.264 57.572 56.287 0.036 0.000 0.935 285 K CB -0.069 32.516 32.500 0.143 0.000 0.715 285 K HN 0.111 nan 8.250 nan 0.000 0.439 286 R N 0.689 121.189 120.500 0.000 0.000 2.083 286 R HA -0.172 4.168 4.340 0.001 0.000 0.237 286 R C 2.432 178.715 176.300 -0.028 0.000 1.137 286 R CA 1.596 57.690 56.100 -0.010 0.000 0.951 286 R CB -0.473 29.819 30.300 -0.012 0.000 0.851 286 R HN 0.296 nan 8.270 nan 0.000 0.434 287 L N 0.909 122.106 121.223 -0.043 0.000 2.013 287 L HA -0.126 4.214 4.340 0.001 0.000 0.212 287 L C 2.281 179.118 176.870 -0.055 0.000 1.073 287 L CA 2.316 57.124 54.840 -0.052 0.000 0.753 287 L CB -0.873 41.145 42.059 -0.067 0.000 0.890 287 L HN 0.288 nan 8.230 nan 0.000 0.432 288 A N -1.120 121.664 122.820 -0.061 0.000 1.933 288 A HA -0.131 4.189 4.320 0.001 0.000 0.218 288 A C 2.247 179.783 177.584 -0.081 0.000 1.175 288 A CA 1.947 53.938 52.037 -0.077 0.000 0.628 288 A CB -1.108 17.852 19.000 -0.067 0.000 0.814 288 A HN 0.346 nan 8.150 nan 0.000 0.444 289 V N 0.335 120.221 119.914 -0.047 0.000 2.407 289 V HA -0.219 3.901 4.120 0.001 0.000 0.248 289 V C 2.460 178.532 176.094 -0.037 0.000 1.055 289 V CA 2.107 64.388 62.300 -0.033 0.000 1.049 289 V CB -0.566 31.253 31.823 -0.007 0.000 0.662 289 V HN 0.418 nan 8.190 nan 0.000 0.455 290 K N -0.506 119.873 120.400 -0.036 0.000 2.076 290 K HA 0.079 4.399 4.320 0.001 0.000 0.204 290 K C 2.059 178.644 176.600 -0.026 0.000 1.051 290 K CA 1.189 57.458 56.287 -0.030 0.000 0.949 290 K CB -0.450 32.031 32.500 -0.032 0.000 0.726 290 K HN 0.392 nan 8.250 nan 0.000 0.443 291 M N 0.884 120.460 119.600 -0.040 0.000 2.213 291 M HA -0.126 4.354 4.480 0.001 0.000 0.263 291 M C 2.119 178.385 176.300 -0.057 0.000 1.062 291 M CA 1.169 56.447 55.300 -0.037 0.000 1.105 291 M CB -0.143 32.425 32.600 -0.052 0.000 1.385 291 M HN -0.008 nan 8.290 nan 0.000 0.417 292 S N 0.206 115.847 115.700 -0.098 0.000 2.351 292 S HA -0.175 4.295 4.470 0.001 0.000 0.220 292 S C 1.883 176.460 174.600 -0.039 0.000 1.035 292 S CA 1.197 59.320 58.200 -0.127 0.000 1.031 292 S CB -0.335 62.766 63.200 -0.165 0.000 0.928 292 S HN 0.345 nan 8.310 nan 0.000 0.433 293 K N 1.322 121.714 120.400 -0.012 0.000 2.034 293 K HA -0.156 4.165 4.320 0.001 0.000 0.214 293 K C 1.991 178.631 176.600 0.066 0.000 1.051 293 K CA 1.659 57.959 56.287 0.021 0.000 0.931 293 K CB -0.767 31.736 32.500 0.006 0.000 0.715 293 K HN 0.393 nan 8.250 nan 0.000 0.446 294 I N 0.611 121.236 120.570 0.091 0.000 2.151 294 I HA -0.398 3.773 4.170 0.001 0.000 0.243 294 I C 2.673 178.817 176.117 0.045 0.000 1.080 294 I CA 1.419 62.818 61.300 0.164 0.000 1.339 294 I CB -0.392 37.631 38.000 0.038 0.000 1.039 294 I HN 0.218 nan 8.210 nan 0.000 0.409 295 C N 0.543 119.851 119.300 0.013 0.000 2.457 295 C HA -0.075 4.385 4.460 0.001 0.000 0.278 295 C C 2.542 177.553 174.990 0.035 0.000 1.309 295 C CA 0.566 59.588 59.018 0.006 0.000 1.735 295 C CB -1.404 26.327 27.740 -0.015 0.000 1.992 295 C HN 0.535 nan 8.230 nan 0.000 0.493 296 N N 1.362 120.089 118.700 0.044 0.000 2.289 296 N HA -0.091 4.650 4.740 0.001 0.000 0.184 296 N C 1.040 176.593 175.510 0.073 0.000 1.016 296 N CA 1.325 54.412 53.050 0.061 0.000 0.872 296 N CB -0.405 38.119 38.487 0.062 0.000 0.973 296 N HN 0.570 nan 8.380 nan 0.000 0.433 297 D N 0.213 120.668 120.400 0.092 0.000 2.107 297 D HA 0.057 4.697 4.640 0.001 0.000 0.204 297 D C 2.073 178.446 176.300 0.123 0.000 0.978 297 D CA 0.390 54.465 54.000 0.126 0.000 0.852 297 D CB -0.339 40.598 40.800 0.228 0.000 1.008 297 D HN 0.054 nan 8.370 nan 0.000 0.458 298 L N 0.582 121.862 121.223 0.094 0.000 2.064 298 L HA -0.264 4.077 4.340 0.001 0.000 0.216 298 L C 2.501 179.421 176.870 0.084 0.000 1.077 298 L CA 1.448 56.334 54.840 0.075 0.000 0.766 298 L CB -0.361 41.707 42.059 0.015 0.000 0.890 298 L HN 0.066 nan 8.230 nan 0.000 0.435 299 R N -0.806 119.735 120.500 0.068 0.000 2.057 299 R HA -0.133 4.207 4.340 0.001 0.000 0.229 299 R C 2.199 178.541 176.300 0.070 0.000 1.136 299 R CA 0.991 57.129 56.100 0.063 0.000 0.952 299 R CB -0.638 29.697 30.300 0.058 0.000 0.848 299 R HN 0.162 nan 8.270 nan 0.000 0.430 300 L N 1.580 122.848 121.223 0.075 0.000 2.043 300 L HA -0.163 4.177 4.340 0.001 0.000 0.212 300 L C 2.054 178.975 176.870 0.085 0.000 1.075 300 L CA 1.664 56.549 54.840 0.075 0.000 0.752 300 L CB -0.535 41.569 42.059 0.074 0.000 0.891 300 L HN 0.168 nan 8.230 nan 0.000 0.432 301 L N -1.610 119.674 121.223 0.102 0.000 2.291 301 L HA -0.101 4.239 4.340 0.001 0.000 0.214 301 L C 1.968 178.885 176.870 0.079 0.000 1.120 301 L CA 0.911 55.815 54.840 0.107 0.000 0.799 301 L CB -0.422 41.729 42.059 0.152 0.000 0.925 301 L HN 0.220 nan 8.230 nan 0.000 0.446 302 S N -1.085 114.659 115.700 0.074 0.000 2.517 302 S HA -0.001 4.470 4.470 0.001 0.000 0.214 302 S C 0.956 175.584 174.600 0.047 0.000 0.991 302 S CA 0.038 58.269 58.200 0.052 0.000 0.906 302 S CB 0.050 63.282 63.200 0.054 0.000 0.789 302 S HN 0.519 nan 8.310 nan 0.000 0.513 303 S N 2.413 118.147 115.700 0.055 0.000 2.953 303 S HA 0.242 4.713 4.470 0.001 0.000 0.348 303 S C 0.891 175.519 174.600 0.047 0.000 1.215 303 S CA 0.106 58.337 58.200 0.051 0.000 1.019 303 S CB -0.929 62.305 63.200 0.057 0.000 0.726 303 S HN 1.000 nan 8.310 nan 0.000 0.503 304 G N 5.071 113.894 108.800 0.038 0.000 2.695 304 G HA2 -0.146 3.814 3.960 0.001 0.000 0.308 304 G HA3 -0.146 3.814 3.960 0.001 0.000 0.308 304 G C -2.116 172.804 174.900 0.032 0.000 0.080 304 G CA -0.232 44.888 45.100 0.033 0.000 1.200 304 G HN 0.840 nan 8.290 nan 0.000 0.575 305 P HA 0.219 nan 4.420 nan 0.000 0.276 305 P C 0.841 178.154 177.300 0.021 0.000 1.264 305 P CA -0.139 62.972 63.100 0.018 0.000 0.769 305 P CB 1.144 32.851 31.700 0.012 0.000 0.840 306 R N 2.368 122.884 120.500 0.026 0.000 3.922 306 R HA -0.206 4.134 4.340 0.001 0.000 0.447 306 R C 0.621 176.944 176.300 0.038 0.000 1.035 306 R CA 1.594 57.713 56.100 0.031 0.000 1.289 306 R CB -2.531 27.781 30.300 0.020 0.000 1.906 306 R HN 0.667 nan 8.270 nan 0.000 0.540 307 A N -1.022 121.822 122.820 0.040 0.000 2.596 307 A HA 0.560 4.880 4.320 0.001 0.000 0.276 307 A C 0.666 178.276 177.584 0.042 0.000 0.962 307 A CA 0.607 52.667 52.037 0.037 0.000 1.010 307 A CB 0.712 19.728 19.000 0.026 0.000 1.220 307 A HN 0.402 nan 8.150 nan 0.000 0.549 308 G N -0.968 107.865 108.800 0.056 0.000 3.252 308 G HA2 0.488 4.449 3.960 0.001 0.000 0.181 308 G HA3 0.488 4.449 3.960 0.001 0.000 0.181 308 G C 0.411 175.370 174.900 0.098 0.000 1.187 308 G CA -0.186 44.952 45.100 0.062 0.000 0.886 308 G HN 0.016 nan 8.290 nan 0.000 0.615 309 L N 0.077 121.367 121.223 0.111 0.000 2.068 309 L HA 0.215 4.556 4.340 0.001 0.000 0.204 309 L C 1.316 178.285 176.870 0.165 0.000 1.076 309 L CA 1.332 56.283 54.840 0.185 0.000 0.753 309 L CB -1.266 40.886 42.059 0.156 0.000 0.910 309 L HN 0.769 nan 8.230 nan 0.000 0.439 310 N N -0.392 118.354 118.700 0.077 0.000 2.708 310 N HA -0.235 4.505 4.740 0.001 0.000 0.255 310 N C 0.652 176.123 175.510 -0.065 0.000 1.046 310 N CA 0.859 53.918 53.050 0.015 0.000 0.715 310 N CB -0.740 37.763 38.487 0.026 0.000 0.895 310 N HN 0.548 nan 8.380 nan 0.000 0.545 311 E N -0.370 119.796 120.200 -0.057 0.000 2.228 311 E HA 0.216 4.566 4.350 0.001 0.000 0.197 311 E C 0.830 177.349 176.600 -0.135 0.000 0.909 311 E CA 0.852 57.176 56.400 -0.128 0.000 0.911 311 E CB 0.347 30.002 29.700 -0.076 0.000 0.887 311 E HN 0.680 nan 8.360 nan 0.000 0.481 312 I N -0.963 119.575 120.570 -0.054 0.000 2.562 312 I HA 0.458 4.628 4.170 0.001 0.000 0.301 312 I C -0.864 175.246 176.117 -0.011 0.000 1.003 312 I CA -1.022 60.243 61.300 -0.058 0.000 1.127 312 I CB 1.682 39.731 38.000 0.081 0.000 1.304 312 I HN -0.244 nan 8.210 nan 0.000 0.446 313 N N 5.589 124.279 118.700 -0.016 0.000 2.501 313 N HA 0.338 5.078 4.740 0.001 0.000 0.245 313 N C -0.933 174.598 175.510 0.036 0.000 0.974 313 N CA -0.476 52.578 53.050 0.007 0.000 0.941 313 N CB 1.792 40.273 38.487 -0.009 0.000 1.122 313 N HN 0.481 nan 8.380 nan 0.000 0.507 314 L N 4.692 125.940 121.223 0.043 0.000 2.477 314 L HA 0.162 4.502 4.340 0.001 0.000 0.272 314 L C -1.570 175.317 176.870 0.029 0.000 1.157 314 L CA -1.346 53.521 54.840 0.045 0.000 0.889 314 L CB -0.317 41.767 42.059 0.041 0.000 1.158 314 L HN 0.317 nan 8.230 nan 0.000 0.473 315 P HA -0.081 nan 4.420 nan 0.000 0.260 315 P C -0.208 177.098 177.300 0.011 0.000 1.172 315 P CA 0.037 63.146 63.100 0.015 0.000 0.760 315 P CB 0.370 32.076 31.700 0.010 0.000 0.773 316 E N 3.295 123.501 120.200 0.010 0.000 2.360 316 E HA 0.130 4.480 4.350 0.001 0.000 0.269 316 E C 0.685 177.288 176.600 0.006 0.000 1.022 316 E CA -0.258 56.147 56.400 0.008 0.000 0.887 316 E CB 0.227 29.931 29.700 0.007 0.000 0.990 316 E HN 0.547 nan 8.360 nan 0.000 0.426 317 L N 1.230 122.456 121.223 0.007 0.000 3.888 317 L HA 0.220 4.560 4.340 0.001 0.000 0.369 317 L C 0.587 177.461 176.870 0.006 0.000 1.200 317 L CA -0.491 54.352 54.840 0.005 0.000 1.268 317 L CB -0.105 41.956 42.059 0.003 0.000 1.573 317 L HN 0.531 nan 8.230 nan 0.000 0.632 318 Q N 2.000 121.804 119.800 0.007 0.000 3.081 318 Q HA 0.724 5.064 4.340 0.001 0.000 0.214 318 Q C 1.081 177.085 176.000 0.007 0.000 1.170 318 Q CA 0.174 55.981 55.803 0.008 0.000 0.310 318 Q CB -0.020 28.724 28.738 0.010 0.000 5.825 318 Q HN 0.144 nan 8.270 nan 0.000 0.316 319 A N 0.165 122.990 122.820 0.008 0.000 2.290 319 A HA 0.426 4.746 4.320 0.001 0.000 0.308 319 A C 0.642 178.230 177.584 0.007 0.000 1.246 319 A CA 0.724 52.766 52.037 0.008 0.000 0.929 319 A CB -1.115 17.891 19.000 0.009 0.000 1.125 319 A HN 1.154 nan 8.150 nan 0.000 0.522 320 G N -2.132 106.672 108.800 0.007 0.000 1.788 320 G HA2 0.484 4.444 3.960 0.001 0.000 0.267 320 G HA3 0.484 4.444 3.960 0.001 0.000 0.267 320 G C -0.972 173.931 174.900 0.005 0.000 1.786 320 G CA 0.101 45.204 45.100 0.006 0.000 0.915 320 G HN 0.927 nan 8.290 nan 0.000 0.625 321 S N 0.832 116.535 115.700 0.006 0.000 2.498 321 S HA 0.564 5.034 4.470 0.001 0.000 0.317 321 S C 1.351 175.954 174.600 0.005 0.000 1.090 321 S CA -0.080 58.123 58.200 0.005 0.000 1.089 321 S CB 1.786 64.990 63.200 0.006 0.000 0.997 321 S HN 1.140 nan 8.310 nan 0.000 0.470 322 S N 3.679 119.382 115.700 0.004 0.000 2.348 322 S HA -0.035 4.436 4.470 0.001 0.000 0.219 322 S C 1.754 176.356 174.600 0.003 0.000 1.033 322 S CA 0.483 58.685 58.200 0.003 0.000 0.974 322 S CB -0.775 62.427 63.200 0.003 0.000 0.868 322 S HN 0.716 nan 8.310 nan 0.000 0.459 323 I N 2.133 122.705 120.570 0.003 0.000 2.248 323 I HA -0.108 4.062 4.170 0.001 0.000 0.248 323 I C 0.854 176.974 176.117 0.004 0.000 1.107 323 I CA 1.030 62.332 61.300 0.003 0.000 1.373 323 I CB -0.740 37.262 38.000 0.004 0.000 1.055 323 I HN 0.428 nan 8.210 nan 0.000 0.418 324 M N 1.179 120.782 119.600 0.005 0.000 2.066 324 M HA 0.393 4.873 4.480 0.001 0.000 0.264 324 M C -2.419 173.885 176.300 0.006 0.000 0.886 324 M CA -2.332 52.972 55.300 0.005 0.000 0.810 324 M CB -0.254 32.350 32.600 0.006 0.000 1.451 324 M HN -0.153 nan 8.290 nan 0.000 0.373 325 P HA 0.119 nan 4.420 nan 0.000 0.263 325 P C 0.372 177.676 177.300 0.007 0.000 1.386 325 P CA 0.341 63.444 63.100 0.006 0.000 0.797 325 P CB -0.244 31.459 31.700 0.004 0.000 1.381 326 A N 0.308 123.133 122.820 0.008 0.000 3.074 326 A HA 0.278 4.598 4.320 0.001 0.000 0.251 326 A C 0.527 178.118 177.584 0.012 0.000 1.695 326 A CA 0.138 52.182 52.037 0.010 0.000 1.343 326 A CB -0.799 18.207 19.000 0.010 0.000 1.078 326 A HN 0.216 nan 8.150 nan 0.000 0.644 327 K N -0.965 119.442 120.400 0.012 0.000 2.735 327 K HA 0.530 4.850 4.320 0.001 0.000 0.295 327 K C -1.994 174.614 176.600 0.013 0.000 1.052 327 K CA -0.564 55.731 56.287 0.013 0.000 0.853 327 K CB 1.608 34.115 32.500 0.012 0.000 1.535 327 K HN 0.319 nan 8.250 nan 0.000 0.383 328 V N 2.342 122.265 119.914 0.015 0.000 5.588 328 V HA -0.053 4.068 4.120 0.001 0.000 0.238 328 V C -1.466 174.640 176.094 0.019 0.000 0.989 328 V CA -0.915 61.394 62.300 0.015 0.000 1.481 328 V CB 0.509 32.340 31.823 0.013 0.000 0.191 328 V HN 0.813 nan 8.190 nan 0.000 0.434 329 N N 5.960 124.672 118.700 0.019 0.000 2.412 329 N HA 0.194 4.935 4.740 0.001 0.000 0.254 329 N C -1.496 174.029 175.510 0.024 0.000 1.232 329 N CA -0.894 52.169 53.050 0.022 0.000 0.880 329 N CB 0.923 39.422 38.487 0.021 0.000 1.076 329 N HN 0.451 nan 8.380 nan 0.000 0.458 330 P HA 0.049 nan 4.420 nan 0.000 0.226 330 P C 0.925 178.242 177.300 0.029 0.000 1.758 330 P CA -0.071 63.048 63.100 0.031 0.000 0.896 330 P CB 0.176 31.899 31.700 0.039 0.000 1.784 331 V N 0.874 120.803 119.914 0.025 0.000 2.380 331 V HA -0.240 3.881 4.120 0.001 0.000 0.251 331 V C 2.361 178.467 176.094 0.020 0.000 1.063 331 V CA 1.951 64.265 62.300 0.024 0.000 1.055 331 V CB -0.315 31.520 31.823 0.020 0.000 0.657 331 V HN 0.074 nan 8.190 nan 0.000 0.455 332 V N -0.169 119.753 119.914 0.013 0.000 2.379 332 V HA -0.078 4.043 4.120 0.001 0.000 0.245 332 V C 0.029 176.124 176.094 0.001 0.000 1.044 332 V CA 2.179 64.482 62.300 0.005 0.000 1.036 332 V CB -1.581 30.240 31.823 -0.004 0.000 0.664 332 V HN 0.510 nan 8.190 nan 0.000 0.453 333 P HA -0.120 nan 4.420 nan 0.000 0.215 333 P C 1.633 178.938 177.300 0.010 0.000 1.157 333 P CA 1.263 64.364 63.100 0.001 0.000 0.863 333 P CB 0.007 31.715 31.700 0.013 0.000 0.787 334 E N -0.534 119.684 120.200 0.030 0.000 2.086 334 E HA -0.207 4.143 4.350 0.001 0.000 0.200 334 E C 2.010 178.640 176.600 0.050 0.000 1.012 334 E CA 1.287 57.719 56.400 0.053 0.000 0.812 334 E CB -1.007 28.727 29.700 0.056 0.000 0.743 334 E HN 0.040 nan 8.360 nan 0.000 0.453 335 V N 0.908 120.840 119.914 0.030 0.000 2.343 335 V HA -0.220 3.900 4.120 0.001 0.000 0.247 335 V C 2.224 178.318 176.094 0.001 0.000 1.051 335 V CA 1.671 63.986 62.300 0.025 0.000 1.036 335 V CB -0.063 31.769 31.823 0.016 0.000 0.654 335 V HN 0.118 nan 8.190 nan 0.000 0.451 336 V N 0.301 120.200 119.914 -0.024 0.000 2.515 336 V HA -0.261 3.859 4.120 0.001 0.000 0.250 336 V C 2.165 178.179 176.094 -0.134 0.000 1.058 336 V CA 2.447 64.709 62.300 -0.063 0.000 1.064 336 V CB -1.388 30.400 31.823 -0.059 0.000 0.675 336 V HN 0.638 nan 8.190 nan 0.000 0.461 337 N N 0.059 118.686 118.700 -0.122 0.000 2.069 337 N HA -0.245 4.495 4.740 0.001 0.000 0.191 337 N C 2.007 177.265 175.510 -0.420 0.000 1.031 337 N CA 1.555 54.432 53.050 -0.289 0.000 0.852 337 N CB -0.156 38.347 38.487 0.027 0.000 1.018 337 N HN 0.601 nan 8.380 nan 0.000 0.423 338 Q N 0.073 119.883 119.800 0.016 0.000 2.167 338 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 338 Q C 2.275 178.318 176.000 0.073 0.000 0.970 338 Q CA 1.130 57.048 55.803 0.192 0.000 0.855 338 Q CB -0.007 28.832 28.738 0.168 0.000 0.911 338 Q HN 0.379 nan 8.270 nan 0.000 0.438 339 V N -1.249 118.647 119.914 -0.030 0.000 2.871 339 V HA -0.153 3.968 4.120 0.001 0.000 0.256 339 V C 1.825 177.880 176.094 -0.066 0.000 1.082 339 V CA 1.177 63.459 62.300 -0.030 0.000 1.105 339 V CB -0.426 31.372 31.823 -0.042 0.000 0.713 339 V HN 0.409 nan 8.190 nan 0.000 0.473 340 C N 0.485 119.670 119.300 -0.192 0.000 2.541 340 C HA 0.033 4.493 4.460 0.001 0.000 0.282 340 C C 2.341 177.255 174.990 -0.127 0.000 1.263 340 C CA 1.282 60.155 59.018 -0.241 0.000 1.709 340 C CB -1.506 25.965 27.740 -0.449 0.000 2.097 340 C HN 0.605 nan 8.230 nan 0.000 0.480 341 F N 1.568 121.532 119.950 0.023 0.000 2.184 341 F HA -0.185 4.342 4.527 0.001 0.000 0.301 341 F C 2.420 178.241 175.800 0.034 0.000 1.076 341 F CA 1.397 59.413 58.000 0.027 0.000 1.295 341 F CB -0.864 38.150 39.000 0.022 0.000 1.026 341 F HN 0.201 nan 8.300 nan 0.000 0.494 342 K N 0.514 121.034 120.400 0.201 0.000 2.031 342 K HA -0.035 4.285 4.320 0.001 0.000 0.205 342 K C 2.288 178.959 176.600 0.118 0.000 1.049 342 K CA 0.981 57.350 56.287 0.137 0.000 0.939 342 K CB -0.708 31.853 32.500 0.102 0.000 0.717 342 K HN 0.155 nan 8.250 nan 0.000 0.438 343 V N 1.863 121.827 119.914 0.084 0.000 2.407 343 V HA -0.224 3.897 4.120 0.001 0.000 0.248 343 V C 2.384 178.574 176.094 0.160 0.000 1.055 343 V CA 1.381 63.734 62.300 0.087 0.000 1.049 343 V CB -0.284 31.537 31.823 -0.003 0.000 0.662 343 V HN 0.249 nan 8.190 nan 0.000 0.455 344 I N 0.548 121.192 120.570 0.123 0.000 2.315 344 I HA -0.155 4.015 4.170 0.001 0.000 0.248 344 I C 2.503 178.705 176.117 0.141 0.000 1.117 344 I CA 1.636 63.019 61.300 0.137 0.000 1.404 344 I CB -0.783 37.292 38.000 0.127 0.000 1.071 344 I HN 0.430 nan 8.210 nan 0.000 0.419 345 G N 0.322 109.204 108.800 0.137 0.000 2.471 345 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 345 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 345 G C 1.336 176.282 174.900 0.077 0.000 1.125 345 G CA 0.339 45.500 45.100 0.101 0.000 0.775 345 G HN 0.388 nan 8.290 nan 0.000 0.548 346 N N 0.272 119.043 118.700 0.119 0.000 2.515 346 N HA -0.053 4.687 4.740 0.001 0.000 0.185 346 N C 1.243 176.645 175.510 -0.180 0.000 1.109 346 N CA 0.551 53.652 53.050 0.085 0.000 0.903 346 N CB 0.094 38.756 38.487 0.292 0.000 0.969 346 N HN 0.314 nan 8.380 nan 0.000 0.450 347 D N -0.312 120.013 120.400 -0.125 0.000 2.269 347 D HA -0.021 4.619 4.640 0.001 0.000 0.208 347 D C 1.457 177.647 176.300 -0.183 0.000 0.963 347 D CA 0.966 54.782 54.000 -0.306 0.000 0.864 347 D CB 0.422 41.214 40.800 -0.014 0.000 0.936 347 D HN 0.052 nan 8.370 nan 0.000 0.505 348 T N -1.637 112.863 114.554 -0.089 0.000 2.901 348 T HA -0.063 4.288 4.350 0.001 0.000 0.252 348 T C 1.881 176.545 174.700 -0.060 0.000 1.035 348 T CA 1.201 63.271 62.100 -0.050 0.000 1.142 348 T CB -0.440 68.421 68.868 -0.013 0.000 0.869 348 T HN 0.070 nan 8.240 nan 0.000 0.442 349 T N 2.216 116.735 114.554 -0.057 0.000 2.778 349 T HA -0.093 4.257 4.350 0.001 0.000 0.269 349 T C 2.068 176.726 174.700 -0.069 0.000 1.050 349 T CA 0.921 62.995 62.100 -0.043 0.000 1.137 349 T CB -0.451 68.406 68.868 -0.018 0.000 0.860 349 T HN 0.142 nan 8.240 nan 0.000 0.468 350 V N 0.901 120.736 119.914 -0.133 0.000 2.331 350 V HA -0.116 4.004 4.120 0.001 0.000 0.242 350 V C 2.742 178.801 176.094 -0.059 0.000 1.034 350 V CA 1.710 63.941 62.300 -0.114 0.000 1.027 350 V CB -1.194 30.492 31.823 -0.228 0.000 0.667 350 V HN 0.423 nan 8.190 nan 0.000 0.457 351 T N 0.361 114.869 114.554 -0.077 0.000 2.565 351 T HA -0.319 4.031 4.350 0.001 0.000 0.265 351 T C 1.955 176.649 174.700 -0.009 0.000 1.082 351 T CA 2.160 64.242 62.100 -0.029 0.000 1.173 351 T CB -0.405 68.443 68.868 -0.033 0.000 0.864 351 T HN 0.172 nan 8.240 nan 0.000 0.425 352 M N 0.543 120.134 119.600 -0.016 0.000 2.255 352 M HA -0.157 4.323 4.480 0.001 0.000 0.259 352 M C 2.574 178.874 176.300 -0.001 0.000 1.071 352 M CA 1.476 56.772 55.300 -0.006 0.000 1.074 352 M CB -0.929 31.666 32.600 -0.007 0.000 1.384 352 M HN 0.376 nan 8.290 nan 0.000 0.415 353 A N -0.213 122.604 122.820 -0.004 0.000 1.855 353 A HA 0.080 4.400 4.320 0.001 0.000 0.213 353 A C 2.361 179.962 177.584 0.027 0.000 1.195 353 A CA 1.607 53.644 52.037 0.001 0.000 0.610 353 A CB -0.905 18.085 19.000 -0.016 0.000 0.837 353 A HN 0.467 nan 8.150 nan 0.000 0.444 354 A N -0.572 122.277 122.820 0.048 0.000 1.948 354 A HA -0.219 4.102 4.320 0.001 0.000 0.220 354 A C 2.050 179.666 177.584 0.053 0.000 1.177 354 A CA 1.935 54.019 52.037 0.079 0.000 0.636 354 A CB -0.470 18.587 19.000 0.094 0.000 0.815 354 A HN 0.507 nan 8.150 nan 0.000 0.449 355 E N 0.104 120.324 120.200 0.033 0.000 2.106 355 E HA -0.070 4.280 4.350 0.001 0.000 0.192 355 E C 1.906 178.520 176.600 0.023 0.000 0.984 355 E CA 0.935 57.349 56.400 0.024 0.000 0.806 355 E CB -0.307 29.402 29.700 0.015 0.000 0.750 355 E HN 0.485 nan 8.360 nan 0.000 0.458 356 A N 1.180 124.013 122.820 0.021 0.000 2.253 356 A HA 0.046 4.367 4.320 0.001 0.000 0.203 356 A C 1.170 178.767 177.584 0.022 0.000 1.272 356 A CA 0.755 52.802 52.037 0.017 0.000 0.847 356 A CB -1.064 17.942 19.000 0.011 0.000 0.772 356 A HN 0.179 nan 8.150 nan 0.000 0.494 357 G N -0.539 108.279 108.800 0.030 0.000 2.380 357 G HA2 0.396 4.356 3.960 0.001 0.000 0.242 357 G HA3 0.396 4.356 3.960 0.001 0.000 0.242 357 G C -0.192 174.724 174.900 0.026 0.000 1.298 357 G CA -0.175 44.945 45.100 0.034 0.000 0.878 357 G HN 0.524 nan 8.290 nan 0.000 0.542 358 Q N 1.366 121.182 119.800 0.027 0.000 2.304 358 Q HA 0.402 4.742 4.340 0.001 0.000 0.270 358 Q C 0.084 176.099 176.000 0.025 0.000 1.035 358 Q CA -0.862 54.955 55.803 0.022 0.000 0.781 358 Q CB 2.374 31.123 28.738 0.019 0.000 1.261 358 Q HN 0.416 nan 8.270 nan 0.000 0.444 359 L N 0.837 122.073 121.223 0.022 0.000 5.459 359 L HA -0.424 3.916 4.340 0.001 0.000 0.053 359 L C 1.290 178.176 176.870 0.026 0.000 2.402 359 L CA 2.067 56.920 54.840 0.022 0.000 1.776 359 L CB -0.975 41.096 42.059 0.019 0.000 2.645 359 L HN 0.771 nan 8.230 nan 0.000 0.895 360 Q N 0.766 120.582 119.800 0.027 0.000 2.294 360 Q HA 0.493 4.834 4.340 0.001 0.000 0.256 360 Q C -0.513 175.511 176.000 0.040 0.000 0.907 360 Q CA 0.197 56.019 55.803 0.032 0.000 0.954 360 Q CB 0.306 29.061 28.738 0.028 0.000 1.102 360 Q HN 0.481 nan 8.270 nan 0.000 0.429 361 L N 0.585 121.834 121.223 0.044 0.000 3.349 361 L HA 0.246 4.587 4.340 0.001 0.000 0.265 361 L C -2.020 174.882 176.870 0.053 0.000 0.964 361 L CA -0.220 54.652 54.840 0.055 0.000 1.103 361 L CB 1.853 43.943 42.059 0.052 0.000 1.838 361 L HN 0.182 nan 8.230 nan 0.000 0.527 362 N N 3.926 122.668 118.700 0.069 0.000 2.437 362 N HA 0.162 4.902 4.740 0.001 0.000 0.243 362 N C 0.910 176.453 175.510 0.056 0.000 1.041 362 N CA 0.268 53.357 53.050 0.064 0.000 0.940 362 N CB 1.727 40.267 38.487 0.089 0.000 1.133 362 N HN 0.704 nan 8.380 nan 0.000 0.506 363 V N 2.652 122.584 119.914 0.029 0.000 3.444 363 V HA 0.071 4.191 4.120 0.001 0.000 0.271 363 V C 1.101 177.183 176.094 -0.020 0.000 1.188 363 V CA 0.902 63.205 62.300 0.006 0.000 1.168 363 V CB -0.505 31.317 31.823 -0.002 0.000 0.810 363 V HN 0.513 nan 8.190 nan 0.000 0.500 364 M N 0.541 120.134 119.600 -0.011 0.000 2.560 364 M HA 0.363 4.844 4.480 0.001 0.000 0.297 364 M C 1.491 177.756 176.300 -0.058 0.000 1.201 364 M CA 0.041 55.316 55.300 -0.042 0.000 0.973 364 M CB -0.033 32.549 32.600 -0.030 0.000 1.401 364 M HN 0.319 nan 8.290 nan 0.000 0.497 365 E N 0.764 120.949 120.200 -0.025 0.000 2.097 365 E HA -0.182 4.168 4.350 0.001 0.000 0.196 365 E C -0.924 175.565 176.600 -0.185 0.000 1.000 365 E CA 1.594 57.957 56.400 -0.062 0.000 0.804 365 E CB -1.678 28.084 29.700 0.103 0.000 0.740 365 E HN 0.437 nan 8.360 nan 0.000 0.454 366 P HA -0.093 nan 4.420 nan 0.000 0.218 366 P C 1.794 178.919 177.300 -0.291 0.000 1.149 366 P CA 0.871 63.850 63.100 -0.202 0.000 0.817 366 P CB -0.035 31.534 31.700 -0.220 0.000 0.785 367 V N -0.545 119.226 119.914 -0.238 0.000 3.217 367 V HA -0.069 4.052 4.120 0.001 0.000 0.264 367 V C 2.208 178.191 176.094 -0.186 0.000 1.135 367 V CA 0.812 62.972 62.300 -0.232 0.000 1.142 367 V CB -0.875 30.858 31.823 -0.150 0.000 0.754 367 V HN -0.064 nan 8.190 nan 0.000 0.484 368 I N -0.168 120.276 120.570 -0.209 0.000 2.494 368 I HA 0.059 4.229 4.170 0.001 0.000 0.250 368 I C 2.517 178.525 176.117 -0.183 0.000 1.112 368 I CA 1.123 62.325 61.300 -0.163 0.000 1.438 368 I CB -0.847 37.032 38.000 -0.201 0.000 1.111 368 I HN 0.390 nan 8.210 nan 0.000 0.431 369 G N 1.534 110.035 108.800 -0.499 0.000 2.480 369 G HA2 -0.323 3.637 3.960 0.001 0.000 0.216 369 G HA3 -0.323 3.637 3.960 0.001 0.000 0.216 369 G C 1.506 176.464 174.900 0.097 0.000 1.200 369 G CA 1.174 45.939 45.100 -0.558 0.000 0.782 369 G HN 0.549 nan 8.290 nan 0.000 0.554 370 Q N 0.241 119.979 119.800 -0.102 0.000 2.020 370 Q HA 0.150 4.491 4.340 0.001 0.000 0.202 370 Q C 2.645 178.689 176.000 0.073 0.000 0.982 370 Q CA 1.908 57.685 55.803 -0.042 0.000 0.838 370 Q CB -0.646 27.925 28.738 -0.278 0.000 0.899 370 Q HN 0.345 nan 8.270 nan 0.000 0.423 371 A N 0.788 123.614 122.820 0.009 0.000 1.917 371 A HA -0.237 4.083 4.320 0.001 0.000 0.219 371 A C 2.120 179.810 177.584 0.176 0.000 1.182 371 A CA 1.901 53.986 52.037 0.080 0.000 0.633 371 A CB -0.695 18.330 19.000 0.042 0.000 0.819 371 A HN 0.511 nan 8.150 nan 0.000 0.448 372 M N -0.880 118.835 119.600 0.193 0.000 2.286 372 M HA -0.111 4.369 4.480 0.001 0.000 0.262 372 M C 1.816 178.149 176.300 0.056 0.000 1.071 372 M CA 1.910 57.304 55.300 0.157 0.000 1.091 372 M CB -1.065 31.652 32.600 0.195 0.000 1.260 372 M HN 0.352 nan 8.290 nan 0.000 0.442 373 F N 0.322 120.344 119.950 0.120 0.000 2.115 373 F HA -0.285 4.242 4.527 0.000 0.000 0.300 373 F C 2.467 178.331 175.800 0.107 0.000 1.092 373 F CA 2.184 60.243 58.000 0.098 0.000 1.245 373 F CB -0.998 38.048 39.000 0.078 0.000 0.995 373 F HN 0.411 nan 8.300 nan 0.000 0.481 374 E N 0.103 120.457 120.200 0.257 0.000 2.023 374 E HA -0.210 4.140 4.350 0.001 0.000 0.196 374 E C 2.360 179.030 176.600 0.116 0.000 1.003 374 E CA 1.786 58.288 56.400 0.170 0.000 0.809 374 E CB -0.187 29.584 29.700 0.119 0.000 0.755 374 E HN 0.274 nan 8.360 nan 0.000 0.449 375 S N -0.086 115.661 115.700 0.079 0.000 2.359 375 S HA -0.186 4.284 4.470 0.001 0.000 0.222 375 S C 2.048 176.630 174.600 -0.031 0.000 1.038 375 S CA 1.529 59.724 58.200 -0.010 0.000 1.051 375 S CB -0.365 62.754 63.200 -0.134 0.000 0.944 375 S HN 0.223 nan 8.310 nan 0.000 0.433 376 V N 1.329 121.219 119.914 -0.040 0.000 2.568 376 V HA -0.172 3.948 4.120 0.001 0.000 0.253 376 V C 2.166 178.310 176.094 0.082 0.000 1.072 376 V CA 2.079 64.355 62.300 -0.041 0.000 1.084 376 V CB -0.887 30.867 31.823 -0.114 0.000 0.676 376 V HN 0.506 nan 8.190 nan 0.000 0.469 377 H N 1.114 120.199 119.070 0.025 0.000 2.320 377 H HA 0.022 4.578 4.556 0.001 0.000 0.309 377 H C 2.125 177.479 175.328 0.044 0.000 1.057 377 H CA 1.903 57.985 56.048 0.057 0.000 1.374 377 H CB -0.377 29.446 29.762 0.101 0.000 1.421 377 H HN 0.419 nan 8.280 nan 0.000 0.532 378 I N -0.873 119.648 120.570 -0.080 0.000 2.194 378 I HA -0.228 3.942 4.170 0.001 0.000 0.246 378 I C 2.252 178.338 176.117 -0.052 0.000 1.093 378 I CA 1.581 62.788 61.300 -0.154 0.000 1.355 378 I CB -0.743 37.200 38.000 -0.094 0.000 1.046 378 I HN 0.162 nan 8.210 nan 0.000 0.413 379 L N 0.910 122.121 121.223 -0.020 0.000 1.989 379 L HA -0.212 4.128 4.340 0.001 0.000 0.211 379 L C 2.888 179.755 176.870 -0.006 0.000 1.071 379 L CA 2.479 57.303 54.840 -0.027 0.000 0.749 379 L CB -0.853 41.178 42.059 -0.046 0.000 0.890 379 L HN 0.374 nan 8.230 nan 0.000 0.431 380 T N -0.479 114.099 114.554 0.040 0.000 2.624 380 T HA -0.254 4.097 4.350 0.001 0.000 0.268 380 T C 1.591 176.368 174.700 0.127 0.000 1.041 380 T CA 2.086 64.230 62.100 0.074 0.000 1.159 380 T CB -0.462 68.504 68.868 0.163 0.000 0.863 380 T HN 0.311 nan 8.240 nan 0.000 0.434 381 N N 1.163 119.959 118.700 0.160 0.000 2.166 381 N HA 0.037 4.778 4.740 0.001 0.000 0.186 381 N C 2.013 177.583 175.510 0.098 0.000 1.019 381 N CA 1.114 54.268 53.050 0.173 0.000 0.856 381 N CB -0.547 37.983 38.487 0.072 0.000 0.993 381 N HN 0.441 nan 8.380 nan 0.000 0.426 382 A N -0.110 122.725 122.820 0.025 0.000 2.032 382 A HA -0.202 4.119 4.320 0.001 0.000 0.221 382 A C 2.339 179.908 177.584 -0.025 0.000 1.165 382 A CA 1.347 53.378 52.037 -0.010 0.000 0.645 382 A CB -1.044 17.934 19.000 -0.036 0.000 0.807 382 A HN 0.466 nan 8.150 nan 0.000 0.453 383 C N -2.588 116.685 119.300 -0.046 0.000 2.541 383 C HA -0.007 4.454 4.460 0.001 0.000 0.282 383 C C 2.393 177.309 174.990 -0.124 0.000 1.263 383 C CA 0.889 59.830 59.018 -0.129 0.000 1.709 383 C CB -1.640 25.956 27.740 -0.240 0.000 2.097 383 C HN 0.714 nan 8.230 nan 0.000 0.480 384 Y N 1.506 121.787 120.300 -0.033 0.000 2.193 384 Y HA -0.220 4.330 4.550 0.000 0.000 0.285 384 Y C 2.318 178.190 175.900 -0.046 0.000 1.166 384 Y CA 2.093 60.171 58.100 -0.038 0.000 1.181 384 Y CB -0.938 37.511 38.460 -0.019 0.000 0.976 384 Y HN 0.479 nan 8.280 nan 0.000 0.520 385 N N -0.329 118.438 118.700 0.111 0.000 2.166 385 N HA -0.186 4.554 4.740 0.001 0.000 0.186 385 N C 1.771 177.281 175.510 -0.001 0.000 1.019 385 N CA 0.707 53.784 53.050 0.046 0.000 0.856 385 N CB -0.170 38.335 38.487 0.029 0.000 0.993 385 N HN 0.216 nan 8.380 nan 0.000 0.426 386 L N 0.486 121.689 121.223 -0.033 0.000 2.007 386 L HA -0.013 4.327 4.340 0.001 0.000 0.205 386 L C 1.995 178.788 176.870 -0.128 0.000 1.073 386 L CA 1.141 55.932 54.840 -0.081 0.000 0.744 386 L CB -0.978 41.020 42.059 -0.101 0.000 0.898 386 L HN 0.264 nan 8.230 nan 0.000 0.435 387 L N 0.147 121.280 121.223 -0.151 0.000 1.941 387 L HA -0.294 4.047 4.340 0.001 0.000 0.224 387 L C 2.342 179.153 176.870 -0.099 0.000 1.081 387 L CA 2.422 57.154 54.840 -0.179 0.000 0.784 387 L CB -1.168 40.811 42.059 -0.134 0.000 0.894 387 L HN 0.466 nan 8.230 nan 0.000 0.436 388 E N -0.678 119.510 120.200 -0.020 0.000 2.085 388 E HA -0.200 4.150 4.350 0.001 0.000 0.194 388 E C 1.582 178.173 176.600 -0.015 0.000 0.994 388 E CA 1.394 57.794 56.400 -0.000 0.000 0.801 388 E CB -0.127 29.599 29.700 0.043 0.000 0.743 388 E HN 0.433 nan 8.360 nan 0.000 0.453 389 K N -0.575 119.816 120.400 -0.015 0.000 2.374 389 K HA 0.144 4.465 4.320 0.001 0.000 0.196 389 K C 1.059 177.646 176.600 -0.021 0.000 1.023 389 K CA 0.090 56.369 56.287 -0.014 0.000 1.103 389 K CB 0.580 33.078 32.500 -0.004 0.000 0.848 389 K HN 0.170 nan 8.250 nan 0.000 0.528 390 C N -0.461 118.814 119.300 -0.042 0.000 3.250 390 C HA 0.156 4.616 4.460 0.001 0.000 0.171 390 C C 2.168 177.127 174.990 -0.053 0.000 2.610 390 C CA 0.038 59.032 59.018 -0.040 0.000 1.049 390 C CB -0.644 27.071 27.740 -0.043 0.000 1.243 390 C HN 0.333 nan 8.230 nan 0.000 0.713 391 I N 2.232 122.728 120.570 -0.122 0.000 2.264 391 I HA -0.057 4.113 4.170 0.001 0.000 0.248 391 I C 1.567 177.609 176.117 -0.125 0.000 1.111 391 I CA 2.674 63.885 61.300 -0.149 0.000 1.382 391 I CB -1.187 36.527 38.000 -0.476 0.000 1.060 391 I HN 0.461 nan 8.210 nan 0.000 0.418 392 N N 0.876 119.496 118.700 -0.134 0.000 2.585 392 N HA 0.001 4.741 4.740 0.001 0.000 0.188 392 N C 1.259 176.727 175.510 -0.071 0.000 1.102 392 N CA 1.252 54.240 53.050 -0.104 0.000 0.920 392 N CB -0.122 38.318 38.487 -0.080 0.000 0.963 392 N HN 0.669 nan 8.380 nan 0.000 0.447 393 G N -1.247 107.528 108.800 -0.043 0.000 4.658 393 G HA2 0.261 4.222 3.960 0.001 0.000 0.279 393 G HA3 0.261 4.222 3.960 0.001 0.000 0.279 393 G C -0.130 174.787 174.900 0.028 0.000 0.997 393 G CA -0.389 44.702 45.100 -0.015 0.000 0.765 393 G HN 0.071 nan 8.290 nan 0.000 0.442 394 I N 2.094 122.701 120.570 0.062 0.000 2.720 394 I HA 0.380 4.551 4.170 0.001 0.000 0.287 394 I C 0.882 177.153 176.117 0.258 0.000 1.090 394 I CA -0.041 61.345 61.300 0.143 0.000 1.384 394 I CB 1.637 39.769 38.000 0.221 0.000 1.420 394 I HN 0.195 nan 8.210 nan 0.000 0.575 395 T N 1.909 116.567 114.554 0.174 0.000 2.916 395 T HA 0.836 5.187 4.350 0.001 0.000 0.292 395 T C -0.442 174.145 174.700 -0.189 0.000 1.064 395 T CA -0.803 61.375 62.100 0.130 0.000 1.011 395 T CB 2.046 70.939 68.868 0.041 0.000 1.152 395 T HN 0.680 nan 8.240 nan 0.000 0.510 396 A N 0.999 123.512 122.820 -0.511 0.000 2.468 396 A HA 0.849 5.169 4.320 0.001 0.000 0.277 396 A C -0.366 177.025 177.584 -0.323 0.000 1.203 396 A CA -0.953 50.714 52.037 -0.618 0.000 0.932 396 A CB 0.710 19.044 19.000 -1.109 0.000 1.438 396 A HN 0.752 nan 8.150 nan 0.000 0.468 397 N N -0.095 118.434 118.700 -0.285 0.000 2.765 397 N HA 0.161 4.901 4.740 0.001 0.000 0.277 397 N C 0.482 175.866 175.510 -0.209 0.000 1.750 397 N CA -0.282 52.646 53.050 -0.203 0.000 0.827 397 N CB 1.161 39.548 38.487 -0.167 0.000 1.200 397 N HN 0.762 nan 8.380 nan 0.000 0.494 398 K N 1.764 122.052 120.400 -0.188 0.000 1.987 398 K HA -0.335 3.986 4.320 0.001 0.000 0.232 398 K C 1.291 177.800 176.600 -0.152 0.000 1.034 398 K CA 2.518 58.715 56.287 -0.151 0.000 1.013 398 K CB 0.036 32.474 32.500 -0.103 0.000 0.736 398 K HN 0.513 nan 8.250 nan 0.000 0.446 399 E N -0.197 119.922 120.200 -0.135 0.000 2.197 399 E HA -0.255 4.095 4.350 0.001 0.000 0.205 399 E C 2.064 178.577 176.600 -0.146 0.000 1.029 399 E CA 1.902 58.221 56.400 -0.136 0.000 0.828 399 E CB -0.484 29.152 29.700 -0.105 0.000 0.737 399 E HN 0.270 nan 8.360 nan 0.000 0.464 400 V N 1.122 120.921 119.914 -0.193 0.000 2.273 400 V HA -0.227 3.893 4.120 0.001 0.000 0.242 400 V C 2.732 178.501 176.094 -0.541 0.000 1.035 400 V CA 1.616 63.735 62.300 -0.301 0.000 1.013 400 V CB -0.304 31.324 31.823 -0.326 0.000 0.652 400 V HN 0.509 nan 8.190 nan 0.000 0.452 401 C N 0.190 119.208 119.300 -0.469 0.000 2.386 401 C HA -0.209 4.251 4.460 0.001 0.000 0.279 401 C C 2.656 177.554 174.990 -0.154 0.000 1.208 401 C CA 1.384 60.167 59.018 -0.391 0.000 1.747 401 C CB -1.228 26.374 27.740 -0.230 0.000 2.046 401 C HN 0.624 nan 8.230 nan 0.000 0.453 402 E N 0.126 120.280 120.200 -0.076 0.000 2.209 402 E HA -0.122 4.228 4.350 0.001 0.000 0.196 402 E C 2.217 178.893 176.600 0.126 0.000 0.993 402 E CA 1.322 57.760 56.400 0.063 0.000 0.819 402 E CB -0.438 29.247 29.700 -0.026 0.000 0.745 402 E HN 0.776 nan 8.360 nan 0.000 0.477 403 G N -0.241 108.575 108.800 0.027 0.000 2.848 403 G HA2 -0.168 3.792 3.960 0.001 0.000 0.208 403 G HA3 -0.168 3.792 3.960 0.001 0.000 0.208 403 G C 0.867 175.982 174.900 0.359 0.000 1.152 403 G CA 0.099 45.279 45.100 0.133 0.000 0.789 403 G HN 0.173 nan 8.290 nan 0.000 0.531 404 Y N 0.174 120.508 120.300 0.057 0.000 2.476 404 Y HA 0.077 4.627 4.550 0.000 0.000 0.283 404 Y C 2.658 178.585 175.900 0.044 0.000 1.109 404 Y CA 0.098 58.222 58.100 0.040 0.000 1.246 404 Y CB -0.281 38.193 38.460 0.023 0.000 1.068 404 Y HN 0.158 nan 8.280 nan 0.000 0.552 405 V N -2.922 117.138 119.914 0.242 0.000 2.403 405 V HA -0.140 3.980 4.120 0.001 0.000 0.239 405 V C 1.755 177.894 176.094 0.074 0.000 1.041 405 V CA 0.966 63.329 62.300 0.105 0.000 1.051 405 V CB -1.370 30.485 31.823 0.053 0.000 0.704 405 V HN 0.120 nan 8.190 nan 0.000 0.472 406 Y N 2.083 122.386 120.300 0.005 0.000 2.425 406 Y HA -0.137 4.414 4.550 0.001 0.000 0.285 406 Y C 2.545 178.474 175.900 0.048 0.000 1.170 406 Y CA 2.108 60.229 58.100 0.035 0.000 1.304 406 Y CB -0.420 38.098 38.460 0.097 0.000 0.972 406 Y HN 0.498 nan 8.280 nan 0.000 0.558 407 N N -0.235 118.578 118.700 0.188 0.000 2.197 407 N HA -0.016 4.724 4.740 0.001 0.000 0.201 407 N C -0.110 175.425 175.510 0.042 0.000 1.148 407 N CA 0.372 53.490 53.050 0.114 0.000 0.883 407 N CB 0.250 38.803 38.487 0.111 0.000 1.012 407 N HN 0.206 nan 8.380 nan 0.000 0.507 408 S N 1.212 116.921 115.700 0.014 0.000 2.549 408 S HA 0.050 4.520 4.470 0.001 0.000 0.286 408 S C 1.951 176.534 174.600 -0.030 0.000 1.314 408 S CA -0.674 57.513 58.200 -0.023 0.000 1.062 408 S CB 0.154 63.333 63.200 -0.035 0.000 0.865 408 S HN 0.292 nan 8.310 nan 0.000 0.498 409 I N 0.334 120.889 120.570 -0.025 0.000 2.657 409 I HA 0.103 4.273 4.170 0.001 0.000 0.261 409 I C 1.217 177.322 176.117 -0.020 0.000 1.212 409 I CA 0.975 62.265 61.300 -0.016 0.000 1.453 409 I CB -0.933 37.060 38.000 -0.013 0.000 1.092 409 I HN 0.706 nan 8.210 nan 0.000 0.452 410 G N 2.288 111.065 108.800 -0.037 0.000 4.975 410 G HA2 0.557 4.517 3.960 0.001 0.000 0.312 410 G HA3 0.557 4.517 3.960 0.001 0.000 0.312 410 G C 0.691 175.547 174.900 -0.074 0.000 1.425 410 G CA -0.326 44.751 45.100 -0.039 0.000 1.076 410 G HN 0.537 nan 8.290 nan 0.000 0.586 411 I N -2.262 118.239 120.570 -0.114 0.000 3.956 411 I HA 0.240 4.410 4.170 0.001 0.000 0.333 411 I C 1.442 177.467 176.117 -0.153 0.000 1.302 411 I CA -0.138 61.021 61.300 -0.235 0.000 1.122 411 I CB 0.890 38.602 38.000 -0.481 0.000 1.013 411 I HN 0.025 nan 8.210 nan 0.000 0.405 412 V N 1.679 121.570 119.914 -0.038 0.000 3.592 412 V HA -0.034 4.087 4.120 0.001 0.000 0.272 412 V C 1.788 177.889 176.094 0.012 0.000 1.228 412 V CA 1.525 63.844 62.300 0.031 0.000 1.173 412 V CB -0.784 31.062 31.823 0.038 0.000 0.873 412 V HN 0.497 nan 8.190 nan 0.000 0.476 413 T N -0.506 114.051 114.554 0.005 0.000 3.113 413 T HA -0.058 4.292 4.350 0.001 0.000 0.263 413 T C 1.122 175.857 174.700 0.057 0.000 1.143 413 T CA 1.091 63.195 62.100 0.008 0.000 1.090 413 T CB -0.180 68.702 68.868 0.023 0.000 0.922 413 T HN 0.695 nan 8.240 nan 0.000 0.521 414 Y N -0.047 120.242 120.300 -0.018 0.000 2.500 414 Y HA 0.450 5.000 4.550 0.000 0.000 0.246 414 Y C 1.390 177.371 175.900 0.134 0.000 1.146 414 Y CA -0.231 57.902 58.100 0.054 0.000 1.230 414 Y CB 0.338 38.821 38.460 0.037 0.000 1.214 414 Y HN 0.094 nan 8.280 nan 0.000 0.526 415 L N -0.940 120.358 121.223 0.124 0.000 2.513 415 L HA 0.049 4.389 4.340 0.001 0.000 0.222 415 L C 1.573 178.505 176.870 0.104 0.000 1.096 415 L CA 0.396 55.310 54.840 0.125 0.000 0.857 415 L CB -0.205 41.923 42.059 0.116 0.000 1.026 415 L HN 0.199 nan 8.230 nan 0.000 0.469 416 N N 0.918 119.567 118.700 -0.085 0.000 2.061 416 N HA -0.196 4.544 4.740 0.001 0.000 0.193 416 N C -1.026 174.284 175.510 -0.334 0.000 1.030 416 N CA 1.374 54.235 53.050 -0.315 0.000 0.856 416 N CB -0.658 37.398 38.487 -0.719 0.000 1.023 416 N HN 0.206 nan 8.380 nan 0.000 0.424 417 P HA -0.121 nan 4.420 nan 0.000 0.218 417 P C 0.486 177.588 177.300 -0.331 0.000 1.148 417 P CA 1.166 64.068 63.100 -0.331 0.000 0.822 417 P CB 0.015 31.420 31.700 -0.493 0.000 0.784 418 F N -1.246 118.616 119.950 -0.146 0.000 2.446 418 F HA 0.147 4.674 4.527 0.001 0.000 0.292 418 F C 2.024 177.804 175.800 -0.032 0.000 1.096 418 F CA 0.521 58.479 58.000 -0.070 0.000 1.438 418 F CB -0.888 38.079 39.000 -0.056 0.000 1.107 418 F HN -0.142 nan 8.300 nan 0.000 0.546 419 I N -2.564 118.096 120.570 0.151 0.000 3.968 419 I HA 0.566 4.737 4.170 0.001 0.000 0.328 419 I C 0.696 176.878 176.117 0.108 0.000 1.290 419 I CA 0.228 61.595 61.300 0.112 0.000 1.163 419 I CB -0.197 37.858 38.000 0.092 0.000 1.024 419 I HN 0.088 nan 8.210 nan 0.000 0.413 420 G N 2.426 111.240 108.800 0.023 0.000 3.399 420 G HA2 -0.191 3.770 3.960 0.001 0.000 0.685 420 G HA3 -0.191 3.770 3.960 0.001 0.000 0.685 420 G C 0.222 174.970 174.900 -0.254 0.000 0.952 420 G CA 0.073 45.115 45.100 -0.097 0.000 0.793 420 G HN 0.529 nan 8.290 nan 0.000 0.492 421 H N 1.894 120.717 119.070 -0.411 0.000 2.304 421 H HA -0.319 4.237 4.556 0.001 0.000 0.287 421 H C 2.416 177.638 175.328 -0.177 0.000 1.112 421 H CA 2.647 58.541 56.048 -0.258 0.000 1.200 421 H CB -0.143 29.477 29.762 -0.236 0.000 1.349 421 H HN 0.966 nan 8.280 nan 0.000 0.477 422 H N 0.372 119.530 119.070 0.146 0.000 2.353 422 H HA -0.107 4.449 4.556 0.000 0.000 0.298 422 H C 1.706 177.067 175.328 0.055 0.000 1.103 422 H CA 1.108 57.202 56.048 0.076 0.000 1.293 422 H CB -0.244 29.549 29.762 0.052 0.000 1.372 422 H HN 0.300 nan 8.280 nan 0.000 0.501 423 N N 1.056 119.972 118.700 0.361 0.000 2.106 423 N HA -0.080 4.660 4.740 0.001 0.000 0.188 423 N C 2.478 178.055 175.510 0.110 0.000 1.029 423 N CA 1.220 54.394 53.050 0.206 0.000 0.848 423 N CB -0.915 37.696 38.487 0.207 0.000 1.007 423 N HN 0.523 nan 8.380 nan 0.000 0.423 424 G N 1.352 110.195 108.800 0.071 0.000 2.476 424 G HA2 -0.257 3.703 3.960 0.001 0.000 0.218 424 G HA3 -0.257 3.703 3.960 0.001 0.000 0.218 424 G C 1.032 175.958 174.900 0.044 0.000 1.164 424 G CA 1.015 46.137 45.100 0.036 0.000 0.768 424 G HN 0.222 nan 8.290 nan 0.000 0.560 425 D N -0.278 120.155 120.400 0.054 0.000 2.357 425 D HA -0.098 4.542 4.640 0.001 0.000 0.216 425 D C 2.060 178.390 176.300 0.050 0.000 0.973 425 D CA 0.502 54.534 54.000 0.053 0.000 0.912 425 D CB 0.050 40.890 40.800 0.066 0.000 0.900 425 D HN 0.512 nan 8.370 nan 0.000 0.501 426 I N -1.463 119.141 120.570 0.056 0.000 3.790 426 I HA -0.075 4.095 4.170 0.001 0.000 0.305 426 I C 1.612 177.753 176.117 0.040 0.000 1.253 426 I CA 0.203 61.531 61.300 0.047 0.000 1.355 426 I CB 0.368 38.397 38.000 0.049 0.000 1.137 426 I HN -0.238 nan 8.210 nan 0.000 0.435 427 V N 1.784 121.724 119.914 0.044 0.000 2.244 427 V HA -0.156 3.964 4.120 0.001 0.000 0.244 427 V C 2.662 178.777 176.094 0.035 0.000 1.042 427 V CA 2.207 64.532 62.300 0.041 0.000 1.006 427 V CB -1.612 30.240 31.823 0.049 0.000 0.641 427 V HN 0.590 nan 8.190 nan 0.000 0.446 428 G N -0.369 108.450 108.800 0.032 0.000 2.527 428 G HA2 -0.200 3.761 3.960 0.001 0.000 0.219 428 G HA3 -0.200 3.761 3.960 0.001 0.000 0.219 428 G C 1.568 176.480 174.900 0.019 0.000 1.117 428 G CA 0.597 45.711 45.100 0.023 0.000 0.759 428 G HN 0.392 nan 8.290 nan 0.000 0.556 429 K N -0.143 120.271 120.400 0.023 0.000 2.244 429 K HA 0.238 4.559 4.320 0.001 0.000 0.200 429 K C 2.199 178.810 176.600 0.019 0.000 1.052 429 K CA -0.178 56.120 56.287 0.019 0.000 0.980 429 K CB -0.101 32.412 32.500 0.021 0.000 0.838 429 K HN 0.199 nan 8.250 nan 0.000 0.481 430 I N 1.266 121.849 120.570 0.022 0.000 2.614 430 I HA -0.220 3.950 4.170 0.001 0.000 0.258 430 I C 2.159 178.288 176.117 0.020 0.000 1.189 430 I CA 0.724 62.037 61.300 0.021 0.000 1.462 430 I CB -0.926 37.088 38.000 0.024 0.000 1.092 430 I HN 0.064 nan 8.210 nan 0.000 0.442 431 C N 0.714 120.027 119.300 0.021 0.000 2.462 431 C HA -0.086 4.375 4.460 0.001 0.000 0.278 431 C C 3.122 178.120 174.990 0.013 0.000 1.253 431 C CA 1.002 60.032 59.018 0.020 0.000 1.713 431 C CB -1.140 26.613 27.740 0.022 0.000 2.049 431 C HN 0.581 nan 8.230 nan 0.000 0.477 432 A N 0.226 123.052 122.820 0.010 0.000 1.986 432 A HA -0.200 4.120 4.320 0.001 0.000 0.220 432 A C 1.731 179.318 177.584 0.005 0.000 1.171 432 A CA 1.883 53.923 52.037 0.005 0.000 0.640 432 A CB -0.430 18.572 19.000 0.003 0.000 0.811 432 A HN 0.624 nan 8.150 nan 0.000 0.451 433 E N -1.120 119.085 120.200 0.008 0.000 2.489 433 E HA 0.044 4.395 4.350 0.001 0.000 0.193 433 E C 1.561 178.166 176.600 0.008 0.000 1.057 433 E CA 1.036 57.441 56.400 0.008 0.000 0.866 433 E CB 0.111 29.816 29.700 0.009 0.000 0.916 433 E HN 0.835 nan 8.360 nan 0.000 0.500 434 T N -6.796 107.763 114.554 0.009 0.000 3.105 434 T HA 0.336 4.686 4.350 0.001 0.000 0.257 434 T C 1.676 176.381 174.700 0.010 0.000 0.949 434 T CA 0.378 62.484 62.100 0.010 0.000 0.959 434 T CB 0.538 69.415 68.868 0.014 0.000 1.205 434 T HN 0.098 nan 8.240 nan 0.000 0.496 435 G N 2.134 110.940 108.800 0.009 0.000 2.213 435 G HA2 -0.224 3.737 3.960 0.001 0.000 0.236 435 G HA3 -0.224 3.737 3.960 0.001 0.000 0.236 435 G C 0.101 175.010 174.900 0.015 0.000 0.991 435 G CA 0.141 45.245 45.100 0.007 0.000 0.629 435 G HN 0.754 nan 8.290 nan 0.000 0.517 436 K N 1.349 121.761 120.400 0.020 0.000 2.344 436 K HA 0.419 4.740 4.320 0.001 0.000 0.260 436 K C 1.241 177.864 176.600 0.038 0.000 0.988 436 K CA 0.589 56.893 56.287 0.029 0.000 0.909 436 K CB 0.321 32.839 32.500 0.029 0.000 0.968 436 K HN 0.535 nan 8.250 nan 0.000 0.505 437 S N -0.402 115.330 115.700 0.053 0.000 2.669 437 S HA 0.117 4.587 4.470 0.001 0.000 0.270 437 S C 1.330 175.979 174.600 0.081 0.000 1.225 437 S CA -1.040 57.204 58.200 0.073 0.000 0.991 437 S CB 1.282 64.545 63.200 0.104 0.000 0.987 437 S HN 0.323 nan 8.310 nan 0.000 0.552 438 V N 1.772 121.747 119.914 0.101 0.000 2.261 438 V HA -0.181 3.940 4.120 0.001 0.000 0.246 438 V C 2.931 179.105 176.094 0.134 0.000 1.047 438 V CA 1.993 64.362 62.300 0.114 0.000 1.015 438 V CB -1.024 30.876 31.823 0.128 0.000 0.642 438 V HN 0.804 nan 8.190 nan 0.000 0.446 439 R N -0.230 120.380 120.500 0.183 0.000 2.136 439 R HA -0.267 4.074 4.340 0.001 0.000 0.242 439 R C 2.258 178.596 176.300 0.064 0.000 1.131 439 R CA 2.341 58.510 56.100 0.114 0.000 0.937 439 R CB -0.595 29.775 30.300 0.117 0.000 0.863 439 R HN 0.652 nan 8.270 nan 0.000 0.435 440 E N 0.064 120.304 120.200 0.067 0.000 2.035 440 E HA -0.221 4.130 4.350 0.001 0.000 0.204 440 E C 2.109 178.732 176.600 0.038 0.000 1.025 440 E CA 1.922 58.349 56.400 0.045 0.000 0.835 440 E CB -0.283 29.444 29.700 0.045 0.000 0.764 440 E HN 0.130 nan 8.360 nan 0.000 0.457 441 V N 1.229 121.170 119.914 0.044 0.000 2.392 441 V HA -0.243 3.877 4.120 0.001 0.000 0.249 441 V C 2.399 178.515 176.094 0.037 0.000 1.059 441 V CA 1.369 63.692 62.300 0.038 0.000 1.051 441 V CB -0.478 31.369 31.823 0.040 0.000 0.658 441 V HN 0.121 nan 8.190 nan 0.000 0.455 442 V N -0.260 119.680 119.914 0.044 0.000 2.237 442 V HA -0.264 3.856 4.120 0.001 0.000 0.245 442 V C 2.311 178.417 176.094 0.020 0.000 1.046 442 V CA 2.265 64.586 62.300 0.036 0.000 1.007 442 V CB -0.503 31.343 31.823 0.038 0.000 0.638 442 V HN 0.440 nan 8.190 nan 0.000 0.445 443 L N -0.224 121.007 121.223 0.013 0.000 2.079 443 L HA -0.235 4.106 4.340 0.001 0.000 0.210 443 L C 2.534 179.409 176.870 0.009 0.000 1.081 443 L CA 1.999 56.841 54.840 0.004 0.000 0.752 443 L CB -0.531 41.528 42.059 -0.001 0.000 0.896 443 L HN 0.465 nan 8.230 nan 0.000 0.433 444 E N 0.420 120.629 120.200 0.015 0.000 2.015 444 E HA -0.204 4.147 4.350 0.001 0.000 0.191 444 E C 2.356 178.965 176.600 0.014 0.000 0.991 444 E CA 1.001 57.410 56.400 0.014 0.000 0.802 444 E CB 0.066 29.776 29.700 0.017 0.000 0.759 444 E HN 0.337 nan 8.360 nan 0.000 0.447 445 R N -0.687 119.824 120.500 0.018 0.000 2.152 445 R HA -0.057 4.283 4.340 0.001 0.000 0.232 445 R C 1.378 177.688 176.300 0.017 0.000 1.117 445 R CA 0.776 56.888 56.100 0.019 0.000 0.981 445 R CB -0.244 30.070 30.300 0.024 0.000 0.870 445 R HN 0.422 nan 8.270 nan 0.000 0.451 446 G N 0.907 109.716 108.800 0.015 0.000 2.160 446 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 446 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 446 G C 0.569 175.479 174.900 0.016 0.000 1.022 446 G CA 0.059 45.166 45.100 0.011 0.000 0.741 446 G HN 0.257 nan 8.290 nan 0.000 0.508 447 L N -1.893 119.343 121.223 0.022 0.000 2.376 447 L HA 0.279 4.620 4.340 0.001 0.000 0.219 447 L C 0.803 177.692 176.870 0.030 0.000 1.133 447 L CA 0.701 55.560 54.840 0.033 0.000 0.816 447 L CB -0.079 42.008 42.059 0.046 0.000 0.933 447 L HN 0.271 nan 8.230 nan 0.000 0.449 448 L N -1.159 120.070 121.223 0.010 0.000 2.526 448 L HA 0.301 4.641 4.340 0.001 0.000 0.263 448 L C -0.163 176.689 176.870 -0.030 0.000 0.943 448 L CA -0.018 54.816 54.840 -0.009 0.000 0.859 448 L CB 1.962 44.001 42.059 -0.034 0.000 1.313 448 L HN -0.252 nan 8.230 nan 0.000 0.406 449 T N 2.170 116.708 114.554 -0.028 0.000 2.940 449 T HA 0.010 4.361 4.350 0.001 0.000 0.309 449 T C 1.323 175.987 174.700 -0.061 0.000 1.056 449 T CA 0.145 62.225 62.100 -0.033 0.000 1.137 449 T CB 0.648 69.502 68.868 -0.022 0.000 0.976 449 T HN 0.702 nan 8.240 nan 0.000 0.547 450 E N 1.938 122.105 120.200 -0.055 0.000 2.147 450 E HA -0.274 4.076 4.350 0.001 0.000 0.199 450 E C 2.148 178.697 176.600 -0.085 0.000 1.005 450 E CA 1.474 57.832 56.400 -0.071 0.000 0.810 450 E CB -0.100 29.573 29.700 -0.045 0.000 0.736 450 E HN 0.753 nan 8.360 nan 0.000 0.460 451 A N 1.880 124.662 122.820 -0.062 0.000 1.841 451 A HA -0.200 4.120 4.320 0.001 0.000 0.214 451 A C 1.721 179.256 177.584 -0.083 0.000 1.195 451 A CA 1.555 53.556 52.037 -0.059 0.000 0.611 451 A CB -0.615 18.364 19.000 -0.036 0.000 0.835 451 A HN 0.503 nan 8.150 nan 0.000 0.443 452 E N -0.616 119.537 120.200 -0.078 0.000 2.441 452 E HA 0.219 4.569 4.350 0.001 0.000 0.210 452 E C 0.545 177.038 176.600 -0.179 0.000 1.306 452 E CA 0.379 56.720 56.400 -0.098 0.000 1.307 452 E CB -0.084 29.586 29.700 -0.049 0.000 1.297 452 E HN 0.461 nan 8.360 nan 0.000 0.440 453 L N 0.136 121.229 121.223 -0.217 0.000 2.627 453 L HA 0.031 4.372 4.340 0.001 0.000 0.253 453 L C 1.204 177.828 176.870 -0.409 0.000 1.042 453 L CA 0.850 55.475 54.840 -0.358 0.000 1.110 453 L CB 0.570 42.449 42.059 -0.300 0.000 2.151 453 L HN 0.175 nan 8.230 nan 0.000 0.539 454 D N -0.981 119.276 120.400 -0.238 0.000 2.347 454 D HA -0.118 4.523 4.640 0.001 0.000 0.215 454 D C -0.079 176.150 176.300 -0.118 0.000 0.976 454 D CA 0.601 54.504 54.000 -0.162 0.000 0.884 454 D CB -0.174 40.579 40.800 -0.079 0.000 0.915 454 D HN 0.384 nan 8.370 nan 0.000 0.526 455 D N 0.455 120.777 120.400 -0.131 0.000 3.071 455 D HA 0.303 4.944 4.640 0.001 0.000 0.259 455 D C -0.257 175.979 176.300 -0.108 0.000 1.331 455 D CA -0.240 53.709 54.000 -0.085 0.000 0.861 455 D CB 0.245 41.009 40.800 -0.060 0.000 1.059 455 D HN 0.199 nan 8.370 nan 0.000 0.486 456 I N -0.592 119.895 120.570 -0.139 0.000 2.667 456 I HA 0.123 4.293 4.170 0.001 0.000 0.291 456 I C -1.503 174.588 176.117 -0.044 0.000 1.722 456 I CA -0.297 60.938 61.300 -0.108 0.000 1.075 456 I CB 0.799 38.707 38.000 -0.153 0.000 1.591 456 I HN -0.139 nan 8.210 nan 0.000 0.471 457 F N 2.848 122.683 119.950 -0.191 0.000 1.649 457 F HA -0.022 4.505 4.527 0.000 0.000 0.396 457 F C 0.970 176.594 175.800 -0.294 0.000 1.082 457 F CA 0.949 58.787 58.000 -0.269 0.000 1.112 457 F CB -1.308 37.476 39.000 -0.361 0.000 1.703 457 F HN 0.541 nan 8.300 nan 0.000 0.240 458 S N 1.745 117.413 115.700 -0.053 0.000 2.606 458 S HA 0.609 5.079 4.470 0.001 0.000 0.257 458 S C -0.026 174.508 174.600 -0.111 0.000 1.327 458 S CA 0.552 58.702 58.200 -0.084 0.000 0.984 458 S CB 1.924 65.124 63.200 0.000 0.000 0.941 458 S HN 0.842 nan 8.310 nan 0.000 0.576 459 V N 0.000 119.862 119.914 -0.086 0.000 2.409 459 V HA 0.000 4.120 4.120 0.001 0.000 0.244 459 V CA 0.000 62.245 62.300 -0.092 0.000 1.235 459 V CB 0.000 31.732 31.823 -0.152 0.000 1.184 459 V HN 0.000 nan 8.190 nan 0.000 0.556