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_B 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 AELDDIFSVQ 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 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 S N -0.863 114.838 115.700 0.002 0.000 1.799 2 S HA -0.229 4.242 4.470 0.001 0.000 0.230 2 S C 0.298 174.892 174.600 -0.010 0.000 0.932 2 S CA 1.788 59.986 58.200 -0.004 0.000 1.516 2 S CB -1.578 61.620 63.200 -0.005 0.000 1.962 2 S HN 0.957 nan 8.310 nan 0.000 0.542 3 N N 3.568 122.263 118.700 -0.009 0.000 2.293 3 N HA 0.159 4.899 4.740 0.001 0.000 0.253 3 N C -0.142 175.356 175.510 -0.020 0.000 1.248 3 N CA 0.498 53.540 53.050 -0.013 0.000 0.845 3 N CB -0.074 38.408 38.487 -0.010 0.000 1.073 3 N HN 0.411 nan 8.380 nan 0.000 0.464 4 N N 1.103 119.788 118.700 -0.025 0.000 2.580 4 N HA -0.173 4.568 4.740 0.001 0.000 0.301 4 N C -0.745 174.737 175.510 -0.047 0.000 1.276 4 N CA 0.811 53.840 53.050 -0.035 0.000 0.711 4 N CB -0.587 37.880 38.487 -0.035 0.000 0.978 4 N HN 0.455 nan 8.380 nan 0.000 0.538 5 I N -1.298 119.241 120.570 -0.051 0.000 3.580 5 I HA 0.697 4.868 4.170 0.001 0.000 0.296 5 I C 0.030 176.102 176.117 -0.075 0.000 1.146 5 I CA -0.874 60.388 61.300 -0.063 0.000 1.051 5 I CB 1.968 39.939 38.000 -0.048 0.000 1.364 5 I HN 0.393 nan 8.210 nan 0.000 0.482 6 R N 1.636 122.087 120.500 -0.082 0.000 2.522 6 R HA 0.534 4.874 4.340 0.001 0.000 0.283 6 R C -1.974 174.283 176.300 -0.071 0.000 1.074 6 R CA -0.602 55.445 56.100 -0.088 0.000 0.925 6 R CB 2.241 32.474 30.300 -0.111 0.000 1.205 6 R HN 0.855 nan 8.270 nan 0.000 0.436 7 I N 3.259 123.790 120.570 -0.065 0.000 2.312 7 I HA 0.287 4.458 4.170 0.001 0.000 0.291 7 I C -0.712 175.379 176.117 -0.043 0.000 1.031 7 I CA -0.119 61.152 61.300 -0.047 0.000 1.293 7 I CB 0.803 38.778 38.000 -0.042 0.000 1.403 7 I HN 0.697 nan 8.210 nan 0.000 0.484 8 E N 6.758 126.942 120.200 -0.026 0.000 2.222 8 E HA 0.295 4.646 4.350 0.001 0.000 0.267 8 E C -1.215 175.388 176.600 0.004 0.000 0.884 8 E CA -0.675 55.719 56.400 -0.010 0.000 0.764 8 E CB 1.709 31.405 29.700 -0.008 0.000 1.169 8 E HN 0.713 nan 8.360 nan 0.000 0.413 9 E N 2.955 123.163 120.200 0.013 0.000 2.232 9 E HA 0.251 4.602 4.350 0.001 0.000 0.265 9 E C -1.062 175.553 176.600 0.025 0.000 1.001 9 E CA -0.496 55.914 56.400 0.016 0.000 0.870 9 E CB 0.994 30.704 29.700 0.016 0.000 1.175 9 E HN 0.579 nan 8.360 nan 0.000 0.407 10 D N 2.060 122.473 120.400 0.022 0.000 2.792 10 D HA -0.021 4.620 4.640 0.001 0.000 0.335 10 D C 0.906 177.217 176.300 0.019 0.000 1.353 10 D CA -0.607 53.410 54.000 0.028 0.000 0.839 10 D CB -0.124 40.700 40.800 0.039 0.000 1.396 10 D HN 0.412 nan 8.370 nan 0.000 0.479 11 L N -0.898 120.340 121.223 0.023 0.000 2.051 11 L HA -0.127 4.214 4.340 0.001 0.000 0.214 11 L C 1.100 177.973 176.870 0.005 0.000 1.076 11 L CA 1.464 56.314 54.840 0.016 0.000 0.758 11 L CB -0.994 41.078 42.059 0.021 0.000 0.890 11 L HN 0.390 nan 8.230 nan 0.000 0.433 12 L N -0.155 121.067 121.223 -0.002 0.000 2.598 12 L HA 0.389 4.729 4.340 0.001 0.000 0.241 12 L C 0.970 177.834 176.870 -0.009 0.000 1.244 12 L CA 0.358 55.191 54.840 -0.012 0.000 1.198 12 L CB -0.152 41.891 42.059 -0.028 0.000 1.448 12 L HN 0.320 nan 8.230 nan 0.000 0.406 13 G N 0.913 109.711 108.800 -0.003 0.000 2.601 13 G HA2 -0.258 3.703 3.960 0.001 0.000 0.261 13 G HA3 -0.258 3.703 3.960 0.001 0.000 0.261 13 G C 0.005 174.906 174.900 0.000 0.000 1.289 13 G CA -0.110 44.988 45.100 -0.002 0.000 0.920 13 G HN 0.575 nan 8.290 nan 0.000 0.571 14 T N -1.205 113.348 114.554 -0.002 0.000 2.792 14 T HA 0.786 5.137 4.350 0.001 0.000 0.280 14 T C -0.221 174.476 174.700 -0.004 0.000 0.990 14 T CA -0.833 61.266 62.100 -0.002 0.000 0.960 14 T CB 2.091 70.957 68.868 -0.004 0.000 0.939 14 T HN 0.818 nan 8.240 nan 0.000 0.439 15 R N 2.081 122.580 120.500 -0.002 0.000 2.807 15 R HA 0.386 4.727 4.340 0.001 0.000 0.276 15 R C -0.248 176.049 176.300 -0.005 0.000 0.979 15 R CA -0.907 55.192 56.100 -0.001 0.000 0.928 15 R CB 1.524 31.827 30.300 0.005 0.000 1.191 15 R HN 0.984 nan 8.270 nan 0.000 0.471 16 E N 0.667 120.863 120.200 -0.008 0.000 2.127 16 E HA 0.152 4.503 4.350 0.001 0.000 0.262 16 E C 0.289 176.876 176.600 -0.021 0.000 1.144 16 E CA -0.553 55.835 56.400 -0.020 0.000 1.144 16 E CB 0.669 30.355 29.700 -0.024 0.000 1.297 16 E HN 0.249 nan 8.360 nan 0.000 0.469 17 V N 2.859 122.759 119.914 -0.024 0.000 2.872 17 V HA -0.068 4.053 4.120 0.001 0.000 0.302 17 V C -2.039 173.994 176.094 -0.101 0.000 1.166 17 V CA -0.865 61.408 62.300 -0.045 0.000 1.298 17 V CB 0.484 32.253 31.823 -0.090 0.000 0.894 17 V HN 0.483 nan 8.190 nan 0.000 0.509 18 P HA 0.137 nan 4.420 nan 0.000 0.232 18 P C 0.757 177.949 177.300 -0.180 0.000 1.606 18 P CA 1.110 64.144 63.100 -0.110 0.000 1.105 18 P CB -0.429 31.242 31.700 -0.047 0.000 1.919 19 A N 3.944 126.670 122.820 -0.157 0.000 4.886 19 A HA -0.386 3.935 4.320 0.001 0.000 0.374 19 A C 2.289 179.725 177.584 -0.248 0.000 1.480 19 A CA 2.604 54.539 52.037 -0.170 0.000 0.838 19 A CB -1.912 17.015 19.000 -0.122 0.000 1.453 19 A HN 0.501 nan 8.150 nan 0.000 0.433 20 D N 0.753 121.018 120.400 -0.225 0.000 2.244 20 D HA -0.002 4.639 4.640 0.001 0.000 0.197 20 D C 0.989 177.033 176.300 -0.426 0.000 1.006 20 D CA 1.520 55.342 54.000 -0.297 0.000 0.888 20 D CB -1.368 39.335 40.800 -0.162 0.000 0.912 20 D HN 1.504 nan 8.370 nan 0.000 0.452 21 A N -0.157 122.451 122.820 -0.354 0.000 2.561 21 A HA 0.007 4.328 4.320 0.001 0.000 0.251 21 A C 0.396 177.679 177.584 -0.501 0.000 1.062 21 A CA -0.151 51.631 52.037 -0.426 0.000 0.761 21 A CB -0.454 18.077 19.000 -0.783 0.000 0.986 21 A HN 0.226 nan 8.150 nan 0.000 0.510 22 Y N 1.755 121.932 120.300 -0.205 0.000 2.373 22 Y HA -0.070 4.481 4.550 0.001 0.000 0.293 22 Y C 1.101 176.913 175.900 -0.148 0.000 1.129 22 Y CA 1.623 59.642 58.100 -0.134 0.000 1.226 22 Y CB -0.574 37.855 38.460 -0.051 0.000 1.000 22 Y HN 0.795 nan 8.280 nan 0.000 0.549 23 Y N 0.023 120.336 120.300 0.022 0.000 2.425 23 Y HA 0.530 5.081 4.550 0.001 0.000 0.331 23 Y C 0.755 176.642 175.900 -0.023 0.000 1.157 23 Y CA -1.267 56.800 58.100 -0.054 0.000 1.372 23 Y CB 0.133 38.541 38.460 -0.086 0.000 1.253 23 Y HN -0.009 nan 8.280 nan 0.000 0.536 24 G N 2.386 111.259 108.800 0.122 0.000 2.666 24 G HA2 0.271 4.231 3.960 0.001 0.000 0.207 24 G HA3 0.271 4.231 3.960 0.001 0.000 0.207 24 G C 0.538 175.545 174.900 0.178 0.000 1.481 24 G CA -0.207 44.936 45.100 0.072 0.000 1.071 24 G HN 0.663 nan 8.290 nan 0.000 0.572 25 V N -0.077 119.914 119.914 0.127 0.000 2.229 25 V HA -0.174 3.947 4.120 0.001 0.000 0.243 25 V C 2.505 178.686 176.094 0.145 0.000 1.042 25 V CA 2.133 64.507 62.300 0.122 0.000 1.000 25 V CB -1.140 30.727 31.823 0.074 0.000 0.637 25 V HN 0.687 nan 8.190 nan 0.000 0.446 26 H N 0.857 119.966 119.070 0.064 0.000 2.368 26 H HA -0.234 4.323 4.556 0.001 0.000 0.292 26 H C 2.266 177.626 175.328 0.054 0.000 1.117 26 H CA 2.615 58.694 56.048 0.053 0.000 1.231 26 H CB -0.335 29.458 29.762 0.052 0.000 1.359 26 H HN 0.499 nan 8.280 nan 0.000 0.490 27 T N 2.550 117.256 114.554 0.253 0.000 2.698 27 T HA -0.101 4.250 4.350 0.001 0.000 0.260 27 T C 2.297 176.997 174.700 -0.001 0.000 1.044 27 T CA 0.826 63.003 62.100 0.129 0.000 1.149 27 T CB -0.581 68.350 68.868 0.105 0.000 0.864 27 T HN 0.252 nan 8.240 nan 0.000 0.419 28 L N 1.880 123.180 121.223 0.128 0.000 2.064 28 L HA -0.244 4.097 4.340 0.001 0.000 0.216 28 L C 2.321 179.194 176.870 0.005 0.000 1.077 28 L CA 2.024 56.936 54.840 0.121 0.000 0.766 28 L CB -0.672 41.559 42.059 0.287 0.000 0.890 28 L HN 0.310 nan 8.230 nan 0.000 0.435 29 R N -0.160 120.328 120.500 -0.020 0.000 2.092 29 R HA -0.083 4.258 4.340 0.001 0.000 0.231 29 R C 2.341 178.555 176.300 -0.143 0.000 1.119 29 R CA 1.270 57.313 56.100 -0.095 0.000 0.970 29 R CB -0.503 29.704 30.300 -0.154 0.000 0.864 29 R HN 0.528 nan 8.270 nan 0.000 0.440 30 A N 1.857 124.620 122.820 -0.095 0.000 1.902 30 A HA -0.109 4.212 4.320 0.001 0.000 0.217 30 A C 2.072 179.645 177.584 -0.018 0.000 1.181 30 A CA 1.108 53.128 52.037 -0.028 0.000 0.623 30 A CB -0.542 18.561 19.000 0.172 0.000 0.818 30 A HN 0.201 nan 8.150 nan 0.000 0.443 31 I N -0.155 120.393 120.570 -0.037 0.000 3.102 31 I HA -0.213 3.958 4.170 0.001 0.000 0.278 31 I C 1.396 177.524 176.117 0.018 0.000 1.316 31 I CA 1.246 62.531 61.300 -0.025 0.000 1.425 31 I CB -0.414 37.516 38.000 -0.118 0.000 1.073 31 I HN 0.513 nan 8.210 nan 0.000 0.503 32 E N -0.624 119.558 120.200 -0.031 0.000 2.535 32 E HA 0.088 4.439 4.350 0.001 0.000 0.216 32 E C 1.018 177.594 176.600 -0.040 0.000 0.845 32 E CA -0.103 56.318 56.400 0.035 0.000 1.306 32 E CB 0.178 29.881 29.700 0.004 0.000 1.291 32 E HN 0.387 nan 8.360 nan 0.000 0.635 33 N N 0.483 118.949 118.700 -0.390 0.000 2.373 33 N HA 0.068 4.809 4.740 0.001 0.000 0.181 33 N C -0.553 174.337 175.510 -1.033 0.000 1.082 33 N CA 0.560 53.169 53.050 -0.735 0.000 0.885 33 N CB 0.431 38.349 38.487 -0.949 0.000 0.977 33 N HN 0.010 nan 8.380 nan 0.000 0.462 34 F N 1.136 120.916 119.950 -0.283 0.000 2.513 34 F HA 0.270 4.798 4.527 0.001 0.000 0.358 34 F C -0.849 174.869 175.800 -0.137 0.000 1.118 34 F CA -1.492 56.344 58.000 -0.272 0.000 1.037 34 F CB 0.344 39.288 39.000 -0.092 0.000 1.276 34 F HN -0.063 nan 8.300 nan 0.000 0.446 35 Y N 1.682 122.073 120.300 0.151 0.000 2.535 35 Y HA 0.637 5.187 4.550 0.001 0.000 0.351 35 Y C -0.465 175.454 175.900 0.031 0.000 1.050 35 Y CA -1.079 57.065 58.100 0.074 0.000 1.168 35 Y CB -0.528 37.949 38.460 0.028 0.000 1.116 35 Y HN 0.346 nan 8.280 nan 0.000 0.654 36 I N 0.621 121.261 120.570 0.116 0.000 3.132 36 I HA 0.139 4.310 4.170 0.001 0.000 0.255 36 I C 1.115 177.192 176.117 -0.066 0.000 1.118 36 I CA 0.736 62.005 61.300 -0.051 0.000 1.463 36 I CB 0.001 37.816 38.000 -0.309 0.000 1.356 36 I HN 0.495 nan 8.210 nan 0.000 0.463 37 S N -1.030 114.670 115.700 0.000 0.000 2.739 37 S HA 0.391 4.862 4.470 0.001 0.000 0.306 37 S C 0.224 174.893 174.600 0.115 0.000 1.115 37 S CA -0.581 57.662 58.200 0.071 0.000 0.985 37 S CB 1.128 64.451 63.200 0.205 0.000 1.133 37 S HN 0.228 nan 8.310 nan 0.000 0.541 38 N N -0.090 118.671 118.700 0.102 0.000 2.392 38 N HA 0.110 4.851 4.740 0.001 0.000 0.177 38 N C -0.490 175.075 175.510 0.092 0.000 1.066 38 N CA -0.025 53.077 53.050 0.086 0.000 0.895 38 N CB -0.143 38.383 38.487 0.065 0.000 0.988 38 N HN 0.555 nan 8.380 nan 0.000 0.457 39 N N 1.485 120.254 118.700 0.115 0.000 2.431 39 N HA 0.091 4.832 4.740 0.001 0.000 0.265 39 N C -0.708 174.859 175.510 0.095 0.000 1.184 39 N CA 0.440 53.547 53.050 0.096 0.000 0.943 39 N CB 0.694 39.246 38.487 0.108 0.000 1.080 39 N HN 0.082 nan 8.380 nan 0.000 0.477 40 K N 1.581 122.018 120.400 0.060 0.000 2.306 40 K HA 0.436 4.757 4.320 0.001 0.000 0.236 40 K C -0.105 176.506 176.600 0.018 0.000 1.013 40 K CA -0.945 55.375 56.287 0.054 0.000 0.857 40 K CB 1.762 34.297 32.500 0.058 0.000 1.214 40 K HN 0.344 nan 8.250 nan 0.000 0.449 41 I N 2.861 123.437 120.570 0.010 0.000 3.262 41 I HA -0.130 4.040 4.170 0.001 0.000 0.319 41 I C -0.233 175.835 176.117 -0.081 0.000 1.159 41 I CA 0.580 61.844 61.300 -0.060 0.000 2.207 41 I CB -1.394 36.563 38.000 -0.071 0.000 1.674 41 I HN 0.401 nan 8.210 nan 0.000 1.058 42 S N 3.610 119.259 115.700 -0.085 0.000 2.561 42 S HA 0.524 4.995 4.470 0.001 0.000 0.303 42 S C -0.725 173.792 174.600 -0.137 0.000 1.110 42 S CA -1.070 57.079 58.200 -0.085 0.000 1.034 42 S CB 2.311 65.488 63.200 -0.038 0.000 1.010 42 S HN 0.503 nan 8.310 nan 0.000 0.482 43 D N 2.044 122.352 120.400 -0.153 0.000 2.350 43 D HA 0.449 5.090 4.640 0.001 0.000 0.238 43 D C 0.108 176.329 176.300 -0.131 0.000 0.989 43 D CA -0.799 53.090 54.000 -0.185 0.000 0.921 43 D CB 1.211 41.881 40.800 -0.217 0.000 1.297 43 D HN 0.384 nan 8.370 nan 0.000 0.490 44 I N 0.152 120.637 120.570 -0.142 0.000 4.398 44 I HA 0.012 4.183 4.170 0.001 0.000 0.310 44 I C -0.940 175.173 176.117 -0.008 0.000 1.232 44 I CA -0.188 61.081 61.300 -0.051 0.000 1.312 44 I CB -1.090 36.888 38.000 -0.037 0.000 1.347 44 I HN 0.435 nan 8.210 nan 0.000 0.454 45 P HA 0.061 nan 4.420 nan 0.000 0.215 45 P C 0.639 177.938 177.300 -0.002 0.000 1.157 45 P CA 1.380 64.491 63.100 0.019 0.000 0.869 45 P CB 1.683 33.431 31.700 0.080 0.000 0.781 46 E N -4.949 115.190 120.200 -0.102 0.000 0.490 46 E HA 0.147 4.497 4.350 0.001 0.000 0.132 46 E C -0.216 176.353 176.600 -0.051 0.000 2.496 46 E CA -0.227 56.153 56.400 -0.034 0.000 1.476 46 E CB -0.774 28.971 29.700 0.076 0.000 0.581 46 E HN -0.188 nan 8.360 nan 0.000 0.891 47 F N -0.907 118.942 119.950 -0.168 0.000 2.544 47 F HA -0.364 4.164 4.527 0.001 0.000 0.702 47 F C 1.371 177.024 175.800 -0.245 0.000 0.487 47 F CA 2.182 60.072 58.000 -0.185 0.000 0.774 47 F CB -2.054 36.730 39.000 -0.359 0.000 1.639 47 F HN 0.257 nan 8.300 nan 0.000 0.268 48 V N 1.502 121.266 119.914 -0.250 0.000 2.295 48 V HA -0.278 3.843 4.120 0.001 0.000 0.246 48 V C 2.373 178.333 176.094 -0.224 0.000 1.049 48 V CA 2.732 64.719 62.300 -0.523 0.000 1.024 48 V CB -0.559 30.925 31.823 -0.565 0.000 0.648 48 V HN 0.419 nan 8.190 nan 0.000 0.447 49 R N 0.167 120.609 120.500 -0.096 0.000 2.066 49 R HA -0.059 4.282 4.340 0.001 0.000 0.232 49 R C 2.517 178.835 176.300 0.031 0.000 1.131 49 R CA 1.357 57.445 56.100 -0.019 0.000 0.955 49 R CB -0.983 29.319 30.300 0.004 0.000 0.851 49 R HN 0.562 nan 8.270 nan 0.000 0.432 50 G N 1.087 109.937 108.800 0.084 0.000 2.475 50 G HA2 -0.267 3.694 3.960 0.001 0.000 0.220 50 G HA3 -0.267 3.694 3.960 0.001 0.000 0.220 50 G C 1.357 176.334 174.900 0.129 0.000 1.125 50 G CA 0.855 46.041 45.100 0.143 0.000 0.755 50 G HN 0.068 nan 8.290 nan 0.000 0.565 51 M N 0.579 120.236 119.600 0.095 0.000 2.155 51 M HA 0.018 4.499 4.480 0.001 0.000 0.258 51 M C 3.060 179.404 176.300 0.074 0.000 1.092 51 M CA 1.236 56.584 55.300 0.079 0.000 1.153 51 M CB -1.380 31.228 32.600 0.013 0.000 1.316 51 M HN 0.242 nan 8.290 nan 0.000 0.431 52 V N -1.237 118.710 119.914 0.055 0.000 2.527 52 V HA -0.282 3.839 4.120 0.001 0.000 0.255 52 V C 2.188 178.312 176.094 0.049 0.000 1.081 52 V CA 1.715 64.054 62.300 0.064 0.000 1.092 52 V CB -1.034 30.820 31.823 0.053 0.000 0.673 52 V HN 0.415 nan 8.190 nan 0.000 0.470 53 M N -0.327 119.297 119.600 0.040 0.000 2.156 53 M HA -0.033 4.448 4.480 0.001 0.000 0.264 53 M C 2.386 178.707 176.300 0.035 0.000 1.067 53 M CA 1.835 57.150 55.300 0.024 0.000 1.131 53 M CB -0.365 32.242 32.600 0.010 0.000 1.368 53 M HN 0.365 nan 8.290 nan 0.000 0.416 54 V N 0.796 120.744 119.914 0.057 0.000 2.594 54 V HA -0.245 3.876 4.120 0.001 0.000 0.253 54 V C 2.289 178.428 176.094 0.074 0.000 1.069 54 V CA 1.646 63.985 62.300 0.065 0.000 1.082 54 V CB -0.425 31.449 31.823 0.084 0.000 0.680 54 V HN 0.348 nan 8.190 nan 0.000 0.469 55 K N 0.128 120.574 120.400 0.077 0.000 2.005 55 K HA -0.113 4.208 4.320 0.001 0.000 0.206 55 K C 2.077 178.719 176.600 0.070 0.000 1.044 55 K CA 1.536 57.872 56.287 0.083 0.000 0.942 55 K CB -0.649 31.902 32.500 0.086 0.000 0.727 55 K HN 0.417 nan 8.250 nan 0.000 0.439 56 K N 0.985 121.417 120.400 0.053 0.000 2.052 56 K HA -0.219 4.102 4.320 0.001 0.000 0.215 56 K C 2.088 178.714 176.600 0.043 0.000 1.053 56 K CA 1.844 58.154 56.287 0.039 0.000 0.934 56 K CB -0.202 32.311 32.500 0.022 0.000 0.717 56 K HN 0.120 nan 8.250 nan 0.000 0.450 57 A N 0.855 123.699 122.820 0.039 0.000 1.873 57 A HA -0.198 4.123 4.320 0.001 0.000 0.218 57 A C 2.369 180.000 177.584 0.077 0.000 1.193 57 A CA 2.403 54.463 52.037 0.039 0.000 0.629 57 A CB -1.084 17.929 19.000 0.022 0.000 0.826 57 A HN 0.560 nan 8.150 nan 0.000 0.447 58 A N -0.401 122.480 122.820 0.101 0.000 1.902 58 A HA 0.147 4.467 4.320 0.001 0.000 0.217 58 A C 2.522 180.196 177.584 0.150 0.000 1.181 58 A CA 2.331 54.471 52.037 0.171 0.000 0.623 58 A CB -1.119 17.983 19.000 0.169 0.000 0.818 58 A HN 1.108 nan 8.150 nan 0.000 0.443 59 A N 0.862 123.741 122.820 0.099 0.000 1.834 59 A HA -0.191 4.130 4.320 0.001 0.000 0.216 59 A C 2.281 179.905 177.584 0.066 0.000 1.203 59 A CA 2.346 54.427 52.037 0.074 0.000 0.621 59 A CB -0.832 18.204 19.000 0.059 0.000 0.841 59 A HN 0.825 nan 8.150 nan 0.000 0.446 60 M N -1.167 118.468 119.600 0.058 0.000 2.530 60 M HA 0.023 4.504 4.480 0.001 0.000 0.261 60 M C 1.804 178.143 176.300 0.066 0.000 1.067 60 M CA 1.722 57.051 55.300 0.049 0.000 1.071 60 M CB -0.666 31.955 32.600 0.035 0.000 1.405 60 M HN 0.325 nan 8.290 nan 0.000 0.478 61 A N 1.488 124.371 122.820 0.105 0.000 1.911 61 A HA -0.004 4.317 4.320 0.001 0.000 0.212 61 A C 1.722 179.383 177.584 0.128 0.000 1.189 61 A CA 1.274 53.407 52.037 0.160 0.000 0.639 61 A CB -0.691 18.481 19.000 0.287 0.000 0.839 61 A HN 0.581 nan 8.150 nan 0.000 0.449 62 N N 0.710 119.454 118.700 0.074 0.000 2.043 62 N HA -0.246 4.495 4.740 0.001 0.000 0.193 62 N C 1.798 177.301 175.510 -0.012 0.000 1.037 62 N CA 2.184 55.209 53.050 -0.042 0.000 0.851 62 N CB -0.347 38.113 38.487 -0.045 0.000 1.027 62 N HN 0.712 nan 8.380 nan 0.000 0.422 63 K N 0.983 121.394 120.400 0.018 0.000 2.074 63 K HA -0.261 4.059 4.320 0.001 0.000 0.209 63 K C 1.902 178.513 176.600 0.018 0.000 1.048 63 K CA 1.725 58.023 56.287 0.018 0.000 0.926 63 K CB -0.184 32.329 32.500 0.022 0.000 0.713 63 K HN 0.165 nan 8.250 nan 0.000 0.444 64 E N 1.750 121.968 120.200 0.030 0.000 2.013 64 E HA -0.170 4.180 4.350 0.001 0.000 0.202 64 E C 1.969 178.584 176.600 0.025 0.000 1.018 64 E CA 1.753 58.173 56.400 0.033 0.000 0.834 64 E CB -0.478 29.253 29.700 0.052 0.000 0.770 64 E HN 0.395 nan 8.360 nan 0.000 0.459 65 L N -0.014 121.225 121.223 0.026 0.000 2.642 65 L HA -0.097 4.243 4.340 0.001 0.000 0.236 65 L C 0.798 177.661 176.870 -0.012 0.000 1.169 65 L CA 1.134 55.979 54.840 0.009 0.000 0.851 65 L CB -0.482 41.575 42.059 -0.004 0.000 0.968 65 L HN 0.463 nan 8.230 nan 0.000 0.453 66 Q N -0.965 118.829 119.800 -0.010 0.000 2.480 66 Q HA -0.272 4.069 4.340 0.001 0.000 0.265 66 Q C 1.408 177.392 176.000 -0.026 0.000 1.072 66 Q CA 0.715 56.513 55.803 -0.009 0.000 1.018 66 Q CB -1.466 27.271 28.738 -0.002 0.000 1.433 66 Q HN 0.697 nan 8.270 nan 0.000 0.513 67 T N -2.230 112.289 114.554 -0.058 0.000 2.788 67 T HA 0.006 4.357 4.350 0.001 0.000 0.268 67 T C 1.055 175.721 174.700 -0.056 0.000 1.044 67 T CA 1.329 63.374 62.100 -0.092 0.000 1.139 67 T CB -0.294 68.457 68.868 -0.195 0.000 0.867 67 T HN 0.575 nan 8.240 nan 0.000 0.454 68 I N -1.825 118.732 120.570 -0.021 0.000 3.002 68 I HA 0.695 4.866 4.170 0.001 0.000 0.310 68 I C -3.220 172.932 176.117 0.059 0.000 1.087 68 I CA -3.597 57.731 61.300 0.046 0.000 1.017 68 I CB 1.691 39.753 38.000 0.104 0.000 1.226 68 I HN -0.301 nan 8.210 nan 0.000 0.443 69 P HA 0.065 nan 4.420 nan 0.000 0.265 69 P C -0.118 177.196 177.300 0.023 0.000 1.193 69 P CA -0.125 63.004 63.100 0.048 0.000 0.765 69 P CB 0.645 32.373 31.700 0.047 0.000 0.823 70 K N 2.293 122.701 120.400 0.013 0.000 2.217 70 K HA -0.115 4.205 4.320 0.001 0.000 0.202 70 K C 1.698 178.296 176.600 -0.003 0.000 1.051 70 K CA 1.523 57.815 56.287 0.007 0.000 0.952 70 K CB -0.110 32.395 32.500 0.008 0.000 0.736 70 K HN 0.521 nan 8.250 nan 0.000 0.453 71 S N 0.465 116.159 115.700 -0.009 0.000 2.348 71 S HA -0.156 4.315 4.470 0.001 0.000 0.221 71 S C 2.141 176.715 174.600 -0.044 0.000 1.033 71 S CA 1.363 59.551 58.200 -0.020 0.000 1.010 71 S CB -0.969 62.220 63.200 -0.018 0.000 0.891 71 S HN 0.268 nan 8.310 nan 0.000 0.442 72 V N 0.694 120.562 119.914 -0.077 0.000 2.488 72 V HA 0.242 4.363 4.120 0.001 0.000 0.246 72 V C 2.666 178.719 176.094 -0.068 0.000 1.046 72 V CA 1.152 63.369 62.300 -0.138 0.000 1.053 72 V CB -1.515 30.095 31.823 -0.356 0.000 0.679 72 V HN 0.543 nan 8.190 nan 0.000 0.458 73 A N 1.611 124.417 122.820 -0.023 0.000 1.873 73 A HA -0.293 4.028 4.320 0.001 0.000 0.218 73 A C 1.938 179.526 177.584 0.006 0.000 1.193 73 A CA 2.656 54.698 52.037 0.008 0.000 0.629 73 A CB -1.370 17.643 19.000 0.021 0.000 0.826 73 A HN 0.691 nan 8.150 nan 0.000 0.447 74 N N -0.072 118.629 118.700 0.001 0.000 2.520 74 N HA 0.089 4.829 4.740 0.001 0.000 0.185 74 N C 1.487 176.998 175.510 0.001 0.000 1.068 74 N CA 0.925 53.977 53.050 0.004 0.000 0.911 74 N CB -0.154 38.334 38.487 0.003 0.000 0.961 74 N HN 0.544 nan 8.380 nan 0.000 0.446 75 A N 0.330 123.146 122.820 -0.006 0.000 1.935 75 A HA 0.069 4.390 4.320 0.001 0.000 0.214 75 A C 1.998 179.585 177.584 0.004 0.000 1.178 75 A CA 0.548 52.582 52.037 -0.005 0.000 0.640 75 A CB -0.260 18.727 19.000 -0.022 0.000 0.825 75 A HN 0.172 nan 8.150 nan 0.000 0.447 76 I N 0.743 121.317 120.570 0.006 0.000 2.252 76 I HA -0.217 3.954 4.170 0.001 0.000 0.245 76 I C 2.504 178.636 176.117 0.025 0.000 1.102 76 I CA 1.623 62.936 61.300 0.022 0.000 1.385 76 I CB -0.428 37.593 38.000 0.035 0.000 1.064 76 I HN 0.539 nan 8.210 nan 0.000 0.414 77 I N -0.318 120.265 120.570 0.022 0.000 2.315 77 I HA -0.127 4.044 4.170 0.001 0.000 0.248 77 I C 2.689 178.814 176.117 0.013 0.000 1.117 77 I CA 1.506 62.818 61.300 0.020 0.000 1.404 77 I CB -0.626 37.385 38.000 0.018 0.000 1.071 77 I HN 0.045 nan 8.210 nan 0.000 0.419 78 A N 1.731 124.557 122.820 0.010 0.000 1.873 78 A HA 0.012 4.333 4.320 0.001 0.000 0.215 78 A C 2.640 180.227 177.584 0.005 0.000 1.186 78 A CA 1.938 53.979 52.037 0.006 0.000 0.616 78 A CB -1.141 17.862 19.000 0.005 0.000 0.823 78 A HN 0.588 nan 8.150 nan 0.000 0.442 79 A N -0.467 122.358 122.820 0.009 0.000 1.903 79 A HA -0.275 4.046 4.320 0.001 0.000 0.219 79 A C 2.344 179.930 177.584 0.003 0.000 1.191 79 A CA 1.989 54.030 52.037 0.006 0.000 0.638 79 A CB -1.577 17.433 19.000 0.017 0.000 0.823 79 A HN 0.663 nan 8.150 nan 0.000 0.451 80 C N -0.251 119.058 119.300 0.015 0.000 2.367 80 C HA -0.175 4.286 4.460 0.001 0.000 0.276 80 C C 2.360 177.353 174.990 0.006 0.000 1.195 80 C CA 1.125 60.154 59.018 0.018 0.000 1.756 80 C CB -1.454 26.299 27.740 0.022 0.000 2.046 80 C HN 0.634 nan 8.230 nan 0.000 0.453 81 D N 0.513 120.914 120.400 0.001 0.000 2.190 81 D HA -0.118 4.523 4.640 0.001 0.000 0.200 81 D C 1.847 178.141 176.300 -0.010 0.000 0.992 81 D CA 1.126 55.124 54.000 -0.004 0.000 0.854 81 D CB -0.565 40.233 40.800 -0.003 0.000 0.936 81 D HN 0.601 nan 8.370 nan 0.000 0.462 82 E N 0.148 120.339 120.200 -0.016 0.000 2.511 82 E HA -0.020 4.331 4.350 0.001 0.000 0.196 82 E C 1.734 178.311 176.600 -0.039 0.000 1.066 82 E CA 0.131 56.514 56.400 -0.029 0.000 0.871 82 E CB 0.553 30.227 29.700 -0.042 0.000 0.863 82 E HN 0.267 nan 8.360 nan 0.000 0.520 83 V N -0.704 119.197 119.914 -0.023 0.000 3.572 83 V HA 0.080 4.201 4.120 0.001 0.000 0.260 83 V C 1.980 178.070 176.094 -0.007 0.000 1.324 83 V CA 0.122 62.414 62.300 -0.015 0.000 1.068 83 V CB 0.106 31.935 31.823 0.009 0.000 0.837 83 V HN 0.100 nan 8.190 nan 0.000 0.450 84 L N 1.148 122.368 121.223 -0.006 0.000 2.145 84 L HA 0.024 4.364 4.340 0.001 0.000 0.201 84 L C 2.530 179.396 176.870 -0.006 0.000 1.075 84 L CA 1.130 55.967 54.840 -0.005 0.000 0.773 84 L CB -0.542 41.514 42.059 -0.005 0.000 0.936 84 L HN 0.540 nan 8.230 nan 0.000 0.451 85 N N 2.053 120.748 118.700 -0.007 0.000 2.025 85 N HA -0.295 4.446 4.740 0.001 0.000 0.188 85 N C 0.859 176.366 175.510 -0.004 0.000 1.058 85 N CA 2.428 55.474 53.050 -0.006 0.000 0.905 85 N CB -1.140 37.342 38.487 -0.008 0.000 1.060 85 N HN 0.375 nan 8.380 nan 0.000 0.577 86 N N -0.800 117.897 118.700 -0.006 0.000 2.275 86 N HA 0.194 4.935 4.740 0.001 0.000 0.236 86 N C 0.584 176.090 175.510 -0.006 0.000 1.154 86 N CA 0.233 53.281 53.050 -0.004 0.000 0.866 86 N CB -0.253 38.233 38.487 -0.002 0.000 1.093 86 N HN 0.777 nan 8.380 nan 0.000 0.515 87 G N 1.637 110.431 108.800 -0.010 0.000 2.371 87 G HA2 -0.363 3.598 3.960 0.001 0.000 0.299 87 G HA3 -0.363 3.598 3.960 0.001 0.000 0.299 87 G C 0.447 175.334 174.900 -0.021 0.000 1.014 87 G CA 0.446 45.538 45.100 -0.013 0.000 1.097 87 G HN 0.531 nan 8.290 nan 0.000 0.512 88 K N -1.104 119.278 120.400 -0.031 0.000 2.687 88 K HA 0.151 4.472 4.320 0.001 0.000 0.197 88 K C 0.908 177.457 176.600 -0.084 0.000 1.018 88 K CA 0.930 57.194 56.287 -0.038 0.000 1.035 88 K CB -0.466 32.015 32.500 -0.032 0.000 0.834 88 K HN 0.586 nan 8.250 nan 0.000 0.496 89 C N -1.188 118.052 119.300 -0.100 0.000 3.823 89 C HA 0.229 4.690 4.460 0.001 0.000 0.312 89 C C 0.101 175.053 174.990 -0.064 0.000 2.628 89 C CA -1.103 57.796 59.018 -0.198 0.000 1.581 89 C CB -1.007 26.500 27.740 -0.389 0.000 3.295 89 C HN 0.380 nan 8.230 nan 0.000 0.382 90 M N 2.663 122.266 119.600 0.004 0.000 1.876 90 M HA 0.202 4.683 4.480 0.001 0.000 0.216 90 M C 0.603 176.977 176.300 0.123 0.000 1.334 90 M CA 1.630 56.969 55.300 0.064 0.000 0.951 90 M CB -0.090 32.526 32.600 0.026 0.000 1.271 90 M HN 0.602 nan 8.290 nan 0.000 0.414 91 D N -0.147 120.335 120.400 0.136 0.000 2.859 91 D HA -0.218 4.423 4.640 0.001 0.000 0.215 91 D C -0.390 176.046 176.300 0.228 0.000 1.253 91 D CA 0.481 54.582 54.000 0.169 0.000 0.673 91 D CB -0.830 40.025 40.800 0.092 0.000 0.941 91 D HN 0.490 nan 8.370 nan 0.000 0.394 92 Q N -0.256 119.752 119.800 0.346 0.000 2.155 92 Q HA 0.219 4.560 4.340 0.001 0.000 0.220 92 Q C -0.575 175.483 176.000 0.096 0.000 0.819 92 Q CA -0.179 55.767 55.803 0.238 0.000 1.032 92 Q CB 0.411 29.246 28.738 0.161 0.000 1.151 92 Q HN 0.529 nan 8.270 nan 0.000 0.487 93 F N 1.114 121.089 119.950 0.041 0.000 2.366 93 F HA 0.369 4.897 4.527 0.001 0.000 0.357 93 F C -1.681 174.091 175.800 -0.048 0.000 1.107 93 F CA -2.356 55.632 58.000 -0.020 0.000 1.208 93 F CB 1.380 40.337 39.000 -0.072 0.000 1.464 93 F HN -0.096 nan 8.300 nan 0.000 0.501 94 P HA 0.038 nan 4.420 nan 0.000 0.257 94 P C 0.134 177.426 177.300 -0.014 0.000 1.281 94 P CA 0.419 63.504 63.100 -0.025 0.000 0.826 94 P CB 0.240 31.853 31.700 -0.145 0.000 1.237 95 V N 1.117 121.042 119.914 0.019 0.000 2.715 95 V HA 0.045 4.166 4.120 0.001 0.000 0.299 95 V C 0.863 177.007 176.094 0.085 0.000 1.054 95 V CA -0.390 61.950 62.300 0.068 0.000 1.077 95 V CB 0.119 32.003 31.823 0.101 0.000 0.972 95 V HN 0.075 nan 8.190 nan 0.000 0.484 96 D N 2.762 123.236 120.400 0.123 0.000 2.455 96 D HA 0.014 4.655 4.640 0.001 0.000 0.241 96 D C 1.226 177.576 176.300 0.082 0.000 1.138 96 D CA 0.282 54.362 54.000 0.134 0.000 0.877 96 D CB 1.639 42.559 40.800 0.199 0.000 1.187 96 D HN 0.358 nan 8.370 nan 0.000 0.451 97 V N 2.754 122.710 119.914 0.070 0.000 2.317 97 V HA -0.218 3.903 4.120 0.001 0.000 0.251 97 V C 0.876 176.892 176.094 -0.130 0.000 1.065 97 V CA 1.061 63.340 62.300 -0.034 0.000 1.049 97 V CB -1.499 30.272 31.823 -0.087 0.000 0.651 97 V HN 0.462 nan 8.190 nan 0.000 0.450 98 Y N 3.541 123.809 120.300 -0.052 0.000 2.436 98 Y HA 0.532 5.083 4.550 0.001 0.000 0.336 98 Y C 0.578 176.302 175.900 -0.293 0.000 1.049 98 Y CA 0.105 58.130 58.100 -0.124 0.000 1.294 98 Y CB 0.231 38.651 38.460 -0.068 0.000 1.179 98 Y HN 0.614 nan 8.280 nan 0.000 0.520 99 Q N 1.466 121.032 119.800 -0.391 0.000 2.545 99 Q HA 0.641 4.982 4.340 0.001 0.000 0.273 99 Q C -1.014 174.467 176.000 -0.866 0.000 0.975 99 Q CA -1.145 54.008 55.803 -1.085 0.000 0.876 99 Q CB 1.355 29.662 28.738 -0.718 0.000 1.472 99 Q HN 0.690 nan 8.270 nan 0.000 0.389 100 G N -0.425 107.688 108.800 -1.145 0.000 2.511 100 G HA2 0.580 4.541 3.960 0.001 0.000 0.316 100 G HA3 0.580 4.541 3.960 0.001 0.000 0.316 100 G C 0.624 175.427 174.900 -0.161 0.000 1.210 100 G CA -0.452 44.438 45.100 -0.350 0.000 0.969 100 G HN 1.605 nan 8.290 nan 0.000 0.492 101 G N -1.692 107.063 108.800 -0.076 0.000 2.165 101 G HA2 0.193 4.154 3.960 0.001 0.000 0.226 101 G HA3 0.193 4.154 3.960 0.001 0.000 0.226 101 G C 1.121 175.940 174.900 -0.135 0.000 1.035 101 G CA 1.047 46.120 45.100 -0.045 0.000 0.744 101 G HN 2.418 nan 8.290 nan 0.000 0.501 102 A N -1.607 121.089 122.820 -0.206 0.000 3.367 102 A HA 0.301 4.621 4.320 0.001 0.000 0.270 102 A C 2.424 179.594 177.584 -0.690 0.000 1.135 102 A CA 2.294 54.136 52.037 -0.325 0.000 0.990 102 A CB -1.293 17.588 19.000 -0.197 0.000 1.026 102 A HN 2.871 nan 8.150 nan 0.000 0.763 103 G N -3.500 104.960 108.800 -0.567 0.000 2.155 103 G HA2 0.095 4.056 3.960 0.001 0.000 0.135 103 G HA3 0.095 4.056 3.960 0.001 0.000 0.135 103 G C 1.328 176.131 174.900 -0.161 0.000 1.023 103 G CA 1.327 45.997 45.100 -0.718 0.000 0.688 103 G HN 2.159 nan 8.290 nan 0.000 0.499 104 T N -2.065 112.454 114.554 -0.059 0.000 2.777 104 T HA -0.023 4.328 4.350 0.001 0.000 0.266 104 T C 2.399 177.128 174.700 0.049 0.000 1.040 104 T CA 2.313 64.431 62.100 0.030 0.000 1.141 104 T CB -0.370 68.541 68.868 0.072 0.000 0.868 104 T HN 0.427 nan 8.240 nan 0.000 0.444 105 S N 0.818 116.616 115.700 0.162 0.000 2.469 105 S HA 0.007 4.478 4.470 0.001 0.000 0.238 105 S C 2.003 176.709 174.600 0.176 0.000 0.998 105 S CA 0.828 59.189 58.200 0.268 0.000 0.957 105 S CB -0.403 62.992 63.200 0.325 0.000 0.764 105 S HN 0.410 nan 8.310 nan 0.000 0.514 106 V N 2.043 122.070 119.914 0.188 0.000 2.575 106 V HA 0.018 4.139 4.120 0.001 0.000 0.242 106 V C 2.349 178.587 176.094 0.240 0.000 1.045 106 V CA 1.083 63.532 62.300 0.249 0.000 1.065 106 V CB -0.494 31.554 31.823 0.375 0.000 0.717 106 V HN 0.416 nan 8.190 nan 0.000 0.467 107 N N 0.259 119.103 118.700 0.240 0.000 2.244 107 N HA -0.146 4.594 4.740 0.001 0.000 0.183 107 N C 1.743 177.298 175.510 0.075 0.000 1.016 107 N CA 1.444 54.601 53.050 0.179 0.000 0.866 107 N CB -0.139 38.455 38.487 0.179 0.000 0.980 107 N HN 0.186 nan 8.380 nan 0.000 0.430 108 M N 0.603 120.187 119.600 -0.025 0.000 2.175 108 M HA -0.078 4.402 4.480 0.001 0.000 0.264 108 M C 1.786 178.049 176.300 -0.061 0.000 1.063 108 M CA 0.890 56.092 55.300 -0.163 0.000 1.119 108 M CB -1.281 30.945 32.600 -0.623 0.000 1.377 108 M HN 0.255 nan 8.290 nan 0.000 0.415 109 N N 0.033 118.722 118.700 -0.018 0.000 2.135 109 N HA -0.098 4.643 4.740 0.001 0.000 0.186 109 N C 1.421 176.775 175.510 -0.260 0.000 1.027 109 N CA 1.879 54.831 53.050 -0.164 0.000 0.849 109 N CB -0.157 38.189 38.487 -0.234 0.000 1.002 109 N HN 0.241 nan 8.380 nan 0.000 0.425 110 T N 1.844 116.434 114.554 0.061 0.000 2.665 110 T HA -0.107 4.244 4.350 0.001 0.000 0.268 110 T C 1.565 176.325 174.700 0.099 0.000 1.035 110 T CA 1.295 63.547 62.100 0.253 0.000 1.151 110 T CB -0.336 68.739 68.868 0.346 0.000 0.862 110 T HN 0.312 nan 8.240 nan 0.000 0.438 111 N N 1.243 119.984 118.700 0.067 0.000 2.013 111 N HA -0.108 4.633 4.740 0.001 0.000 0.195 111 N C 1.929 177.462 175.510 0.039 0.000 1.051 111 N CA 1.375 54.457 53.050 0.054 0.000 0.851 111 N CB -0.524 37.983 38.487 0.033 0.000 1.044 111 N HN 0.577 nan 8.380 nan 0.000 0.422 112 E N 0.578 120.786 120.200 0.013 0.000 2.021 112 E HA -0.160 4.191 4.350 0.001 0.000 0.200 112 E C 2.097 178.719 176.600 0.036 0.000 1.015 112 E CA 1.488 57.903 56.400 0.026 0.000 0.824 112 E CB -0.382 29.337 29.700 0.030 0.000 0.762 112 E HN 0.037 nan 8.360 nan 0.000 0.454 113 V N 1.926 121.830 119.914 -0.017 0.000 2.278 113 V HA -0.293 3.828 4.120 0.001 0.000 0.251 113 V C 2.416 178.546 176.094 0.059 0.000 1.062 113 V CA 1.523 63.838 62.300 0.024 0.000 1.038 113 V CB -0.535 31.211 31.823 -0.128 0.000 0.646 113 V HN 0.312 nan 8.190 nan 0.000 0.447 114 L N -0.290 120.964 121.223 0.051 0.000 2.046 114 L HA -0.151 4.190 4.340 0.001 0.000 0.208 114 L C 2.792 179.701 176.870 0.065 0.000 1.077 114 L CA 2.293 57.168 54.840 0.057 0.000 0.747 114 L CB -1.636 40.467 42.059 0.073 0.000 0.896 114 L HN 0.426 nan 8.230 nan 0.000 0.432 115 A N 0.367 123.229 122.820 0.071 0.000 1.917 115 A HA -0.259 4.061 4.320 0.001 0.000 0.219 115 A C 2.064 179.699 177.584 0.085 0.000 1.182 115 A CA 2.103 54.183 52.037 0.072 0.000 0.633 115 A CB -0.531 18.513 19.000 0.073 0.000 0.819 115 A HN 0.477 nan 8.150 nan 0.000 0.448 116 N N 0.002 118.778 118.700 0.126 0.000 2.109 116 N HA -0.056 4.685 4.740 0.001 0.000 0.188 116 N C 1.723 177.353 175.510 0.199 0.000 1.034 116 N CA 1.516 54.672 53.050 0.176 0.000 0.846 116 N CB -0.541 38.101 38.487 0.259 0.000 1.010 116 N HN 0.556 nan 8.380 nan 0.000 0.425 117 I N 0.977 121.654 120.570 0.179 0.000 2.145 117 I HA -0.267 3.903 4.170 0.001 0.000 0.244 117 I C 2.425 178.584 176.117 0.071 0.000 1.075 117 I CA 1.607 62.957 61.300 0.084 0.000 1.332 117 I CB -0.811 37.170 38.000 -0.031 0.000 1.033 117 I HN 0.177 nan 8.210 nan 0.000 0.410 118 G N 0.965 109.798 108.800 0.055 0.000 2.480 118 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 118 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 118 G C 1.689 176.616 174.900 0.045 0.000 1.200 118 G CA 0.671 45.791 45.100 0.034 0.000 0.782 118 G HN 0.256 nan 8.290 nan 0.000 0.554 119 L N 0.183 121.437 121.223 0.051 0.000 1.997 119 L HA -0.172 4.169 4.340 0.001 0.000 0.216 119 L C 3.005 179.959 176.870 0.140 0.000 1.074 119 L CA 1.815 56.692 54.840 0.062 0.000 0.763 119 L CB -0.404 41.705 42.059 0.083 0.000 0.890 119 L HN 0.303 nan 8.230 nan 0.000 0.434 120 E N -0.337 119.945 120.200 0.136 0.000 2.153 120 E HA -0.235 4.115 4.350 0.001 0.000 0.194 120 E C 2.336 178.991 176.600 0.091 0.000 0.988 120 E CA 1.016 57.491 56.400 0.126 0.000 0.811 120 E CB -0.141 29.655 29.700 0.159 0.000 0.746 120 E HN 0.501 nan 8.360 nan 0.000 0.466 121 L N 0.172 121.442 121.223 0.078 0.000 2.141 121 L HA -0.123 4.218 4.340 0.001 0.000 0.209 121 L C 2.242 179.141 176.870 0.049 0.000 1.094 121 L CA 0.858 55.728 54.840 0.049 0.000 0.763 121 L CB -0.098 41.981 42.059 0.034 0.000 0.908 121 L HN 0.193 nan 8.230 nan 0.000 0.437 122 M N -1.075 118.578 119.600 0.089 0.000 2.628 122 M HA 0.119 4.600 4.480 0.001 0.000 0.232 122 M C 1.421 177.776 176.300 0.092 0.000 1.128 122 M CA 0.746 56.122 55.300 0.127 0.000 1.040 122 M CB 0.048 32.762 32.600 0.190 0.000 1.608 122 M HN 0.388 nan 8.290 nan 0.000 0.507 123 G N 0.020 108.844 108.800 0.039 0.000 2.184 123 G HA2 -0.265 3.695 3.960 0.001 0.000 0.264 123 G HA3 -0.265 3.695 3.960 0.001 0.000 0.264 123 G C -0.061 174.768 174.900 -0.119 0.000 0.975 123 G CA 0.377 45.437 45.100 -0.067 0.000 0.642 123 G HN 0.532 nan 8.290 nan 0.000 0.536 124 H N 0.637 119.659 119.070 -0.081 0.000 2.581 124 H HA 0.519 5.076 4.556 0.001 0.000 0.369 124 H C 1.063 176.408 175.328 0.027 0.000 1.351 124 H CA 0.568 56.576 56.048 -0.067 0.000 1.434 124 H CB 0.283 29.963 29.762 -0.135 0.000 1.558 124 H HN 0.644 nan 8.280 nan 0.000 0.608 125 Q N 1.093 121.032 119.800 0.233 0.000 2.279 125 Q HA 0.242 4.583 4.340 0.001 0.000 0.256 125 Q C -0.566 175.535 176.000 0.168 0.000 0.937 125 Q CA -0.937 54.953 55.803 0.145 0.000 0.933 125 Q CB 1.042 29.854 28.738 0.122 0.000 1.189 125 Q HN 0.555 nan 8.270 nan 0.000 0.417 126 K N 1.215 121.662 120.400 0.078 0.000 2.102 126 K HA 0.674 4.995 4.320 0.001 0.000 0.244 126 K C 0.571 177.180 176.600 0.015 0.000 1.021 126 K CA -0.095 56.228 56.287 0.059 0.000 0.913 126 K CB 0.646 33.147 32.500 0.001 0.000 1.062 126 K HN 0.812 nan 8.250 nan 0.000 0.485 127 G N 0.676 109.485 108.800 0.014 0.000 2.972 127 G HA2 -0.388 3.573 3.960 0.001 0.000 0.265 127 G HA3 -0.388 3.573 3.960 0.001 0.000 0.265 127 G C 0.943 175.852 174.900 0.015 0.000 1.506 127 G CA 0.348 45.440 45.100 -0.015 0.000 1.016 127 G HN 0.823 nan 8.290 nan 0.000 0.563 128 E N -0.253 119.930 120.200 -0.028 0.000 2.048 128 E HA -0.167 4.184 4.350 0.001 0.000 0.202 128 E C 0.182 176.872 176.600 0.150 0.000 1.021 128 E CA 1.412 57.790 56.400 -0.037 0.000 0.825 128 E CB -0.135 29.423 29.700 -0.237 0.000 0.756 128 E HN 0.403 nan 8.360 nan 0.000 0.454 129 Y N 0.860 121.147 120.300 -0.023 0.000 2.353 129 Y HA 0.311 4.862 4.550 0.001 0.000 0.340 129 Y C -0.277 175.599 175.900 -0.039 0.000 0.972 129 Y CA -0.637 57.410 58.100 -0.089 0.000 1.157 129 Y CB 1.351 39.754 38.460 -0.094 0.000 1.157 129 Y HN 0.031 nan 8.280 nan 0.000 0.495 130 Q N 3.808 123.633 119.800 0.041 0.000 2.571 130 Q HA 0.210 4.551 4.340 0.001 0.000 0.243 130 Q C -0.408 175.572 176.000 -0.033 0.000 1.055 130 Q CA -0.392 55.441 55.803 0.050 0.000 0.815 130 Q CB 0.585 29.358 28.738 0.058 0.000 1.151 130 Q HN 0.687 nan 8.270 nan 0.000 0.519 131 Y N 0.596 120.818 120.300 -0.129 0.000 2.616 131 Y HA -0.038 4.513 4.550 0.001 0.000 0.296 131 Y C 0.849 176.610 175.900 -0.232 0.000 1.154 131 Y CA 0.204 58.182 58.100 -0.204 0.000 1.325 131 Y CB 0.439 38.658 38.460 -0.402 0.000 1.007 131 Y HN 0.413 nan 8.280 nan 0.000 0.542 132 L N 0.999 122.206 121.223 -0.027 0.000 2.960 132 L HA 0.300 4.641 4.340 0.001 0.000 0.274 132 L C -0.151 176.748 176.870 0.048 0.000 1.327 132 L CA -0.547 54.222 54.840 -0.118 0.000 0.860 132 L CB -0.476 41.518 42.059 -0.108 0.000 1.239 132 L HN 0.080 nan 8.230 nan 0.000 0.551 133 N N 2.515 121.314 118.700 0.165 0.000 2.365 133 N HA -0.020 4.720 4.740 0.001 0.000 0.265 133 N C -1.573 174.068 175.510 0.217 0.000 1.288 133 N CA -0.410 52.748 53.050 0.181 0.000 0.869 133 N CB 1.123 39.703 38.487 0.155 0.000 1.071 133 N HN 0.326 nan 8.380 nan 0.000 0.480 134 P HA -0.273 nan 4.420 nan 0.000 0.214 134 P C 1.209 178.556 177.300 0.078 0.000 1.169 134 P CA 1.312 64.471 63.100 0.099 0.000 0.908 134 P CB -0.106 31.633 31.700 0.065 0.000 0.791 135 N N 0.871 119.595 118.700 0.041 0.000 2.048 135 N HA -0.187 4.554 4.740 0.001 0.000 0.197 135 N C 0.982 176.464 175.510 -0.046 0.000 1.048 135 N CA 2.410 55.461 53.050 0.001 0.000 0.887 135 N CB -0.685 37.798 38.487 -0.007 0.000 1.081 135 N HN 0.154 nan 8.380 nan 0.000 0.512 136 D N -1.385 118.934 120.400 -0.135 0.000 2.379 136 D HA -0.075 4.566 4.640 0.001 0.000 0.243 136 D C 0.492 176.490 176.300 -0.503 0.000 1.088 136 D CA 0.714 54.536 54.000 -0.297 0.000 0.925 136 D CB -0.126 40.462 40.800 -0.353 0.000 0.888 136 D HN 0.574 nan 8.370 nan 0.000 0.529 137 H N -0.915 118.154 119.070 -0.002 0.000 2.984 137 H HA 0.078 4.635 4.556 0.001 0.000 0.137 137 H C 2.088 177.421 175.328 0.010 0.000 1.110 137 H CA -0.251 55.796 56.048 -0.001 0.000 1.070 137 H CB 0.169 29.933 29.762 0.003 0.000 1.019 137 H HN -0.164 nan 8.280 nan 0.000 0.291 138 V N 1.133 121.149 119.914 0.171 0.000 2.453 138 V HA -0.226 3.895 4.120 0.001 0.000 0.252 138 V C 0.784 176.929 176.094 0.085 0.000 1.068 138 V CA 2.175 64.539 62.300 0.108 0.000 1.070 138 V CB -0.487 31.392 31.823 0.093 0.000 0.664 138 V HN 0.416 nan 8.190 nan 0.000 0.461 139 N N 0.102 118.842 118.700 0.067 0.000 2.598 139 N HA 0.126 4.867 4.740 0.001 0.000 0.309 139 N C -0.158 175.371 175.510 0.032 0.000 1.645 139 N CA -0.161 52.923 53.050 0.057 0.000 0.936 139 N CB 0.150 38.667 38.487 0.049 0.000 1.323 139 N HN 0.036 nan 8.380 nan 0.000 0.497 140 K N 0.566 120.974 120.400 0.014 0.000 2.201 140 K HA 0.306 4.627 4.320 0.001 0.000 0.278 140 K C -0.222 176.352 176.600 -0.043 0.000 1.027 140 K CA -0.094 56.171 56.287 -0.038 0.000 0.909 140 K CB 0.706 33.159 32.500 -0.079 0.000 1.062 140 K HN 0.393 nan 8.250 nan 0.000 0.465 141 C N 2.975 122.248 119.300 -0.045 0.000 4.619 141 C HA -0.157 4.304 4.460 0.001 0.000 0.304 141 C C -0.208 174.891 174.990 0.182 0.000 1.281 141 C CA 0.874 59.882 59.018 -0.016 0.000 2.101 141 C CB -2.172 25.339 27.740 -0.382 0.000 1.221 141 C HN 0.882 nan 8.230 nan 0.000 0.760 142 Q N -1.190 118.684 119.800 0.124 0.000 2.829 142 Q HA 0.721 5.062 4.340 0.001 0.000 0.296 142 Q C -1.102 174.955 176.000 0.094 0.000 0.893 142 Q CA -0.435 55.450 55.803 0.136 0.000 0.772 142 Q CB 1.740 30.571 28.738 0.155 0.000 1.489 142 Q HN 0.525 nan 8.270 nan 0.000 0.420 143 S N -0.784 114.974 115.700 0.098 0.000 2.550 143 S HA 0.392 4.863 4.470 0.001 0.000 0.270 143 S C 0.635 175.298 174.600 0.106 0.000 1.145 143 S CA 0.279 58.529 58.200 0.084 0.000 0.852 143 S CB 1.720 64.961 63.200 0.069 0.000 1.119 143 S HN 0.903 nan 8.310 nan 0.000 0.465 144 T N 2.069 116.686 114.554 0.104 0.000 2.620 144 T HA -0.295 4.056 4.350 0.001 0.000 0.267 144 T C 1.717 176.520 174.700 0.171 0.000 1.044 144 T CA 2.318 64.505 62.100 0.146 0.000 1.161 144 T CB -1.496 67.428 68.868 0.093 0.000 0.862 144 T HN 0.845 nan 8.240 nan 0.000 0.438 145 N N 2.558 121.326 118.700 0.113 0.000 2.242 145 N HA -0.250 4.490 4.740 0.001 0.000 0.191 145 N C 1.436 177.032 175.510 0.143 0.000 1.005 145 N CA 2.107 55.224 53.050 0.112 0.000 0.877 145 N CB -0.562 37.968 38.487 0.073 0.000 0.983 145 N HN 0.859 nan 8.380 nan 0.000 0.439 146 D N -0.081 120.401 120.400 0.136 0.000 2.525 146 D HA 0.205 4.846 4.640 0.001 0.000 0.248 146 D C 1.973 178.363 176.300 0.150 0.000 1.000 146 D CA 0.421 54.498 54.000 0.127 0.000 0.923 146 D CB -0.332 40.522 40.800 0.089 0.000 1.101 146 D HN 0.251 nan 8.370 nan 0.000 0.493 147 A N -0.535 122.383 122.820 0.162 0.000 1.968 147 A HA -0.046 4.275 4.320 0.001 0.000 0.217 147 A C 2.038 179.745 177.584 0.205 0.000 1.169 147 A CA 0.966 53.102 52.037 0.165 0.000 0.638 147 A CB -1.142 17.950 19.000 0.154 0.000 0.812 147 A HN 0.386 nan 8.150 nan 0.000 0.446 148 Y N 1.533 121.922 120.300 0.150 0.000 2.109 148 Y HA -0.089 4.462 4.550 0.001 0.000 0.285 148 Y C -0.374 175.672 175.900 0.244 0.000 1.131 148 Y CA 2.324 60.542 58.100 0.196 0.000 1.121 148 Y CB -0.751 37.798 38.460 0.148 0.000 0.987 148 Y HN 0.272 nan 8.280 nan 0.000 0.495 149 P HA -0.146 nan 4.420 nan 0.000 0.216 149 P C 1.426 178.863 177.300 0.228 0.000 1.153 149 P CA 2.259 65.561 63.100 0.336 0.000 0.848 149 P CB -0.236 31.701 31.700 0.396 0.000 0.787 150 T N -0.440 114.213 114.554 0.164 0.000 2.849 150 T HA -0.074 4.277 4.350 0.001 0.000 0.270 150 T C 2.040 176.793 174.700 0.087 0.000 1.066 150 T CA 1.748 63.911 62.100 0.106 0.000 1.130 150 T CB -0.955 67.962 68.868 0.082 0.000 0.864 150 T HN 0.259 nan 8.240 nan 0.000 0.481 151 G N 0.400 109.260 108.800 0.099 0.000 2.396 151 G HA2 -0.112 3.848 3.960 0.001 0.000 0.214 151 G HA3 -0.112 3.848 3.960 0.001 0.000 0.214 151 G C 1.281 176.221 174.900 0.066 0.000 1.166 151 G CA 0.117 45.293 45.100 0.126 0.000 0.793 151 G HN 0.490 nan 8.290 nan 0.000 0.533 152 F N 1.858 121.657 119.950 -0.251 0.000 2.293 152 F HA 0.092 4.620 4.527 0.001 0.000 0.300 152 F C 2.643 178.289 175.800 -0.258 0.000 1.086 152 F CA 0.914 58.596 58.000 -0.531 0.000 1.375 152 F CB -0.025 38.599 39.000 -0.626 0.000 1.045 152 F HN 0.004 nan 8.300 nan 0.000 0.516 153 R N -0.211 120.154 120.500 -0.225 0.000 2.075 153 R HA -0.083 4.257 4.340 0.001 0.000 0.226 153 R C 2.164 178.388 176.300 -0.126 0.000 1.114 153 R CA 1.411 57.391 56.100 -0.200 0.000 0.972 153 R CB -0.383 29.912 30.300 -0.008 0.000 0.869 153 R HN 0.245 nan 8.270 nan 0.000 0.437 154 I N 1.340 121.905 120.570 -0.009 0.000 2.142 154 I HA -0.231 3.940 4.170 0.001 0.000 0.240 154 I C 2.572 178.768 176.117 0.131 0.000 1.078 154 I CA 1.403 62.787 61.300 0.139 0.000 1.343 154 I CB -1.609 36.513 38.000 0.203 0.000 1.046 154 I HN 0.131 nan 8.210 nan 0.000 0.405 155 A N 1.298 124.159 122.820 0.067 0.000 1.849 155 A HA -0.224 4.097 4.320 0.001 0.000 0.216 155 A C 2.546 180.178 177.584 0.080 0.000 1.225 155 A CA 2.900 55.011 52.037 0.124 0.000 0.653 155 A CB -1.346 17.780 19.000 0.210 0.000 0.844 155 A HN 0.214 nan 8.150 nan 0.000 0.453 156 V N -1.411 118.385 119.914 -0.197 0.000 2.278 156 V HA -0.340 3.781 4.120 0.001 0.000 0.251 156 V C 2.414 178.398 176.094 -0.182 0.000 1.062 156 V CA 2.549 64.641 62.300 -0.347 0.000 1.038 156 V CB -1.095 30.235 31.823 -0.820 0.000 0.646 156 V HN 0.678 nan 8.190 nan 0.000 0.447 157 Y N 0.308 120.427 120.300 -0.302 0.000 2.274 157 Y HA -0.218 4.333 4.550 0.001 0.000 0.290 157 Y C 2.763 178.441 175.900 -0.371 0.000 1.145 157 Y CA 1.829 59.726 58.100 -0.338 0.000 1.203 157 Y CB -0.096 38.115 38.460 -0.416 0.000 0.984 157 Y HN 0.250 nan 8.280 nan 0.000 0.533 158 S N -1.653 113.991 115.700 -0.093 0.000 2.478 158 S HA -0.060 4.410 4.470 0.001 0.000 0.222 158 S C 2.006 176.601 174.600 -0.007 0.000 1.008 158 S CA 1.000 59.180 58.200 -0.033 0.000 0.928 158 S CB -0.278 63.050 63.200 0.213 0.000 0.781 158 S HN 0.499 nan 8.310 nan 0.000 0.518 159 S N 1.708 117.413 115.700 0.009 0.000 2.395 159 S HA 0.161 4.632 4.470 0.001 0.000 0.225 159 S C 1.703 176.289 174.600 -0.023 0.000 1.027 159 S CA 0.640 58.873 58.200 0.054 0.000 0.965 159 S CB -0.328 62.966 63.200 0.156 0.000 0.812 159 S HN 0.431 nan 8.310 nan 0.000 0.482 160 L N 1.226 122.373 121.223 -0.126 0.000 2.056 160 L HA -0.068 4.273 4.340 0.001 0.000 0.207 160 L C 2.229 178.985 176.870 -0.191 0.000 1.078 160 L CA 1.073 55.804 54.840 -0.182 0.000 0.749 160 L CB -0.659 41.221 42.059 -0.297 0.000 0.901 160 L HN 0.282 nan 8.230 nan 0.000 0.433 161 I N 0.063 120.487 120.570 -0.243 0.000 2.091 161 I HA -0.362 3.809 4.170 0.001 0.000 0.239 161 I C 2.574 178.648 176.117 -0.072 0.000 1.061 161 I CA 1.515 62.709 61.300 -0.177 0.000 1.317 161 I CB -0.321 37.598 38.000 -0.135 0.000 1.031 161 I HN 0.163 nan 8.210 nan 0.000 0.401 162 K N 0.432 120.818 120.400 -0.023 0.000 2.160 162 K HA -0.211 4.110 4.320 0.001 0.000 0.206 162 K C 1.886 178.492 176.600 0.010 0.000 1.047 162 K CA 1.208 57.513 56.287 0.030 0.000 0.930 162 K CB -0.349 32.193 32.500 0.070 0.000 0.720 162 K HN 0.151 nan 8.250 nan 0.000 0.450 163 L N 0.113 121.320 121.223 -0.026 0.000 2.056 163 L HA -0.103 4.237 4.340 0.001 0.000 0.207 163 L C 1.931 178.751 176.870 -0.082 0.000 1.078 163 L CA 1.496 56.305 54.840 -0.052 0.000 0.749 163 L CB -0.529 41.498 42.059 -0.053 0.000 0.901 163 L HN 0.135 nan 8.230 nan 0.000 0.433 164 V N -3.239 116.626 119.914 -0.081 0.000 2.427 164 V HA -0.197 3.924 4.120 0.001 0.000 0.248 164 V C 2.202 178.260 176.094 -0.061 0.000 1.051 164 V CA 1.898 64.151 62.300 -0.077 0.000 1.048 164 V CB -0.981 30.791 31.823 -0.084 0.000 0.666 164 V HN 0.426 nan 8.190 nan 0.000 0.456 165 D N 1.227 121.605 120.400 -0.037 0.000 2.103 165 D HA -0.201 4.440 4.640 0.001 0.000 0.190 165 D C 2.338 178.609 176.300 -0.048 0.000 0.997 165 D CA 2.323 56.323 54.000 0.000 0.000 0.833 165 D CB -0.233 40.602 40.800 0.059 0.000 0.961 165 D HN 0.593 nan 8.370 nan 0.000 0.447 166 A N 1.161 123.890 122.820 -0.151 0.000 1.892 166 A HA -0.200 4.120 4.320 0.001 0.000 0.218 166 A C 2.438 179.805 177.584 -0.361 0.000 1.188 166 A CA 1.288 52.995 52.037 -0.550 0.000 0.631 166 A CB -0.874 17.709 19.000 -0.696 0.000 0.822 166 A HN 0.273 nan 8.150 nan 0.000 0.447 167 I N -0.283 120.171 120.570 -0.194 0.000 2.208 167 I HA -0.306 3.864 4.170 0.001 0.000 0.245 167 I C 2.411 178.503 176.117 -0.042 0.000 1.097 167 I CA 1.631 62.870 61.300 -0.101 0.000 1.363 167 I CB -0.620 37.339 38.000 -0.068 0.000 1.051 167 I HN 0.476 nan 8.210 nan 0.000 0.413 168 N N 0.191 118.869 118.700 -0.036 0.000 2.106 168 N HA -0.221 4.520 4.740 0.001 0.000 0.188 168 N C 1.924 177.447 175.510 0.022 0.000 1.029 168 N CA 0.991 54.045 53.050 0.007 0.000 0.848 168 N CB -0.002 38.490 38.487 0.009 0.000 1.007 168 N HN 0.253 nan 8.380 nan 0.000 0.423 169 Q N 1.131 120.929 119.800 -0.002 0.000 2.112 169 Q HA -0.139 4.202 4.340 0.001 0.000 0.206 169 Q C 1.912 177.925 176.000 0.021 0.000 0.987 169 Q CA 1.152 56.976 55.803 0.035 0.000 0.858 169 Q CB -0.345 28.448 28.738 0.093 0.000 0.905 169 Q HN 0.301 nan 8.270 nan 0.000 0.420 170 L N -0.119 121.093 121.223 -0.020 0.000 2.291 170 L HA -0.050 4.291 4.340 0.001 0.000 0.214 170 L C 1.774 178.744 176.870 0.166 0.000 1.120 170 L CA 1.532 56.378 54.840 0.010 0.000 0.799 170 L CB -0.137 41.932 42.059 0.017 0.000 0.925 170 L HN 0.055 nan 8.230 nan 0.000 0.446 171 R N -0.496 120.126 120.500 0.203 0.000 2.115 171 R HA -0.090 4.251 4.340 0.001 0.000 0.226 171 R C 1.980 178.427 176.300 0.245 0.000 1.100 171 R CA 1.366 57.649 56.100 0.306 0.000 0.980 171 R CB -0.090 30.310 30.300 0.167 0.000 0.875 171 R HN 0.448 nan 8.270 nan 0.000 0.445 172 E N -0.471 119.807 120.200 0.131 0.000 2.204 172 E HA -0.081 4.270 4.350 0.001 0.000 0.194 172 E C 1.805 178.449 176.600 0.073 0.000 0.989 172 E CA 1.050 57.505 56.400 0.092 0.000 0.824 172 E CB -0.072 29.660 29.700 0.054 0.000 0.756 172 E HN 0.411 nan 8.360 nan 0.000 0.477 173 G N -0.721 108.096 108.800 0.027 0.000 2.598 173 G HA2 -0.176 3.785 3.960 0.001 0.000 0.215 173 G HA3 -0.176 3.785 3.960 0.001 0.000 0.215 173 G C 0.954 175.802 174.900 -0.086 0.000 1.131 173 G CA 0.245 45.298 45.100 -0.078 0.000 0.785 173 G HN 0.132 nan 8.290 nan 0.000 0.539 174 F N 0.308 120.346 119.950 0.146 0.000 2.437 174 F HA 0.248 4.776 4.527 0.001 0.000 0.288 174 F C 2.524 178.453 175.800 0.214 0.000 1.085 174 F CA 0.340 58.501 58.000 0.269 0.000 1.430 174 F CB 0.139 39.300 39.000 0.268 0.000 1.120 174 F HN 0.021 nan 8.300 nan 0.000 0.556 175 E N 0.504 120.890 120.200 0.311 0.000 2.047 175 E HA -0.151 4.200 4.350 0.001 0.000 0.191 175 E C 2.274 178.925 176.600 0.085 0.000 0.987 175 E CA 0.935 57.442 56.400 0.177 0.000 0.799 175 E CB -0.340 29.434 29.700 0.125 0.000 0.752 175 E HN 0.390 nan 8.360 nan 0.000 0.449 176 R N 0.721 121.244 120.500 0.038 0.000 2.105 176 R HA -0.096 4.245 4.340 0.001 0.000 0.239 176 R C 2.309 178.527 176.300 -0.136 0.000 1.135 176 R CA 0.919 56.992 56.100 -0.045 0.000 0.967 176 R CB -0.054 30.212 30.300 -0.057 0.000 0.861 176 R HN -0.022 nan 8.270 nan 0.000 0.442 177 K N 0.417 120.746 120.400 -0.118 0.000 2.057 177 K HA -0.019 4.301 4.320 0.001 0.000 0.206 177 K C 2.070 178.496 176.600 -0.289 0.000 1.050 177 K CA 1.300 57.386 56.287 -0.336 0.000 0.935 177 K CB -0.339 32.062 32.500 -0.164 0.000 0.715 177 K HN 0.143 nan 8.250 nan 0.000 0.439 178 A N 1.074 123.918 122.820 0.041 0.000 1.858 178 A HA -0.142 4.179 4.320 0.001 0.000 0.216 178 A C 2.398 179.984 177.584 0.003 0.000 1.190 178 A CA 1.790 53.898 52.037 0.119 0.000 0.617 178 A CB -0.956 18.152 19.000 0.179 0.000 0.827 178 A HN 0.097 nan 8.150 nan 0.000 0.443 179 V N 0.012 119.906 119.914 -0.033 0.000 2.568 179 V HA -0.260 3.861 4.120 0.001 0.000 0.253 179 V C 2.311 178.337 176.094 -0.114 0.000 1.072 179 V CA 2.701 64.971 62.300 -0.050 0.000 1.084 179 V CB -0.426 31.371 31.823 -0.044 0.000 0.676 179 V HN 0.760 nan 8.190 nan 0.000 0.469 180 E N -0.679 119.365 120.200 -0.261 0.000 2.021 180 E HA -0.123 4.228 4.350 0.001 0.000 0.189 180 E C 1.636 178.071 176.600 -0.275 0.000 0.980 180 E CA 1.286 57.449 56.400 -0.395 0.000 0.803 180 E CB -0.090 29.143 29.700 -0.778 0.000 0.766 180 E HN 0.670 nan 8.360 nan 0.000 0.449 181 F N 2.007 121.917 119.950 -0.067 0.000 2.773 181 F HA 0.056 4.583 4.527 0.001 0.000 0.304 181 F C 1.982 177.778 175.800 -0.006 0.000 1.129 181 F CA 0.293 58.262 58.000 -0.051 0.000 1.378 181 F CB -0.663 38.276 39.000 -0.100 0.000 1.095 181 F HN 0.143 nan 8.300 nan 0.000 0.565 182 Q N 1.605 121.479 119.800 0.124 0.000 2.294 182 Q HA -0.284 4.056 4.340 0.001 0.000 0.215 182 Q C -0.414 175.640 176.000 0.090 0.000 1.000 182 Q CA 2.278 58.137 55.803 0.093 0.000 0.916 182 Q CB -1.084 27.682 28.738 0.047 0.000 0.932 182 Q HN 0.555 nan 8.270 nan 0.000 0.420 183 D N -0.173 120.284 120.400 0.094 0.000 2.749 183 D HA 0.429 5.070 4.640 0.001 0.000 0.338 183 D C -0.867 175.486 176.300 0.089 0.000 1.236 183 D CA -0.297 53.750 54.000 0.079 0.000 0.845 183 D CB 0.142 40.977 40.800 0.058 0.000 1.080 183 D HN 0.237 nan 8.370 nan 0.000 0.497 184 I N 1.214 121.842 120.570 0.098 0.000 2.448 184 I HA 0.195 4.366 4.170 0.001 0.000 0.281 184 I C -0.158 175.998 176.117 0.065 0.000 1.027 184 I CA -0.946 60.401 61.300 0.079 0.000 1.111 184 I CB 1.747 39.784 38.000 0.061 0.000 1.236 184 I HN 0.114 nan 8.210 nan 0.000 0.452 185 L N 6.819 128.079 121.223 0.061 0.000 2.562 185 L HA 0.154 4.495 4.340 0.001 0.000 0.271 185 L C 0.365 177.269 176.870 0.057 0.000 1.167 185 L CA 0.580 55.444 54.840 0.040 0.000 0.917 185 L CB -0.063 41.993 42.059 -0.006 0.000 1.187 185 L HN 0.580 nan 8.230 nan 0.000 0.482 186 K N 4.695 125.134 120.400 0.064 0.000 2.267 186 K HA 0.615 4.936 4.320 0.001 0.000 0.246 186 K C -1.138 175.500 176.600 0.062 0.000 0.954 186 K CA -0.873 55.474 56.287 0.100 0.000 0.824 186 K CB 2.214 34.770 32.500 0.093 0.000 1.167 186 K HN 0.476 nan 8.250 nan 0.000 0.431 187 M N 2.565 122.199 119.600 0.055 0.000 2.227 187 M HA 0.355 4.836 4.480 0.001 0.000 0.335 187 M C 0.026 176.308 176.300 -0.030 0.000 1.053 187 M CA -0.397 54.904 55.300 0.002 0.000 0.973 187 M CB 1.626 34.217 32.600 -0.016 0.000 1.623 187 M HN 0.840 nan 8.290 nan 0.000 0.434 188 G N 3.458 112.242 108.800 -0.026 0.000 2.716 188 G HA2 0.346 4.307 3.960 0.001 0.000 0.251 188 G HA3 0.346 4.307 3.960 0.001 0.000 0.251 188 G C -0.780 174.087 174.900 -0.054 0.000 1.224 188 G CA -0.518 44.560 45.100 -0.037 0.000 0.891 188 G HN 0.785 nan 8.290 nan 0.000 0.561 189 R N 0.141 120.610 120.500 -0.050 0.000 2.680 189 R HA 0.234 4.575 4.340 0.001 0.000 0.278 189 R C -0.325 175.951 176.300 -0.040 0.000 1.582 189 R CA -0.446 55.621 56.100 -0.054 0.000 1.177 189 R CB 1.195 31.455 30.300 -0.067 0.000 1.232 189 R HN 0.727 nan 8.270 nan 0.000 0.528 190 T N -0.471 114.061 114.554 -0.036 0.000 2.814 190 T HA 0.093 4.444 4.350 0.001 0.000 0.297 190 T C 0.558 175.241 174.700 -0.028 0.000 0.956 190 T CA -0.386 61.697 62.100 -0.029 0.000 1.123 190 T CB 1.105 69.957 68.868 -0.027 0.000 0.902 190 T HN 0.707 nan 8.240 nan 0.000 0.528 191 Q N 1.728 121.514 119.800 -0.023 0.000 2.461 191 Q HA -0.250 4.091 4.340 0.001 0.000 0.264 191 Q C 0.930 176.916 176.000 -0.024 0.000 1.085 191 Q CA 0.761 56.551 55.803 -0.021 0.000 1.006 191 Q CB -2.103 26.624 28.738 -0.020 0.000 1.437 191 Q HN 0.912 nan 8.270 nan 0.000 0.514 192 L N -4.671 116.535 121.223 -0.028 0.000 3.395 192 L HA -0.320 4.021 4.340 0.001 0.000 0.399 192 L C 0.586 177.427 176.870 -0.048 0.000 0.701 192 L CA 1.528 56.346 54.840 -0.036 0.000 2.975 192 L CB -1.202 40.840 42.059 -0.028 0.000 0.774 192 L HN 0.344 nan 8.230 nan 0.000 0.717 193 Q N 1.785 121.559 119.800 -0.042 0.000 2.474 193 Q HA 0.145 4.486 4.340 0.001 0.000 0.256 193 Q C -0.045 175.921 176.000 -0.057 0.000 1.048 193 Q CA 0.440 56.215 55.803 -0.047 0.000 0.922 193 Q CB 0.323 29.040 28.738 -0.036 0.000 1.288 193 Q HN 0.160 nan 8.270 nan 0.000 0.484 194 D N -0.468 119.892 120.400 -0.066 0.000 2.369 194 D HA 0.375 5.016 4.640 0.001 0.000 0.241 194 D C 0.184 176.455 176.300 -0.050 0.000 1.271 194 D CA 0.055 54.012 54.000 -0.072 0.000 0.942 194 D CB 0.636 41.390 40.800 -0.077 0.000 1.129 194 D HN 0.554 nan 8.370 nan 0.000 0.476 195 A N -0.682 122.112 122.820 -0.043 0.000 1.893 195 A HA 0.526 4.847 4.320 0.001 0.000 0.175 195 A C -0.853 176.722 177.584 -0.015 0.000 1.480 195 A CA -0.172 51.848 52.037 -0.028 0.000 2.061 195 A CB 0.509 19.494 19.000 -0.026 0.000 2.260 195 A HN 0.304 nan 8.150 nan 0.000 1.021 196 V N 1.751 121.665 119.914 0.000 0.000 2.686 196 V HA 0.463 4.584 4.120 0.001 0.000 0.306 196 V C -2.678 173.439 176.094 0.039 0.000 1.065 196 V CA -1.486 60.834 62.300 0.033 0.000 0.894 196 V CB 1.524 33.376 31.823 0.047 0.000 1.004 196 V HN 0.529 nan 8.190 nan 0.000 0.424 197 P HA -0.030 nan 4.420 nan 0.000 0.270 197 P C -0.523 176.791 177.300 0.023 0.000 1.167 197 P CA 0.808 63.932 63.100 0.040 0.000 0.759 197 P CB 0.236 31.974 31.700 0.064 0.000 0.777 198 M N 0.614 120.223 119.600 0.015 0.000 2.732 198 M HA 0.343 4.824 4.480 0.001 0.000 0.272 198 M C -1.262 175.055 176.300 0.029 0.000 1.203 198 M CA -0.587 54.721 55.300 0.015 0.000 0.841 198 M CB 2.272 34.876 32.600 0.006 0.000 1.685 198 M HN 0.242 nan 8.290 nan 0.000 0.492 199 T N 0.969 115.547 114.554 0.040 0.000 2.902 199 T HA 0.400 4.751 4.350 0.001 0.000 0.283 199 T C 0.553 175.313 174.700 0.100 0.000 1.009 199 T CA -0.615 61.526 62.100 0.068 0.000 1.051 199 T CB 1.065 69.977 68.868 0.074 0.000 0.999 199 T HN 0.609 nan 8.240 nan 0.000 0.474 200 L N 4.688 125.987 121.223 0.126 0.000 2.191 200 L HA 0.203 4.543 4.340 0.001 0.000 0.212 200 L C 2.318 179.395 176.870 0.345 0.000 1.103 200 L CA 2.395 57.355 54.840 0.200 0.000 0.769 200 L CB -1.008 41.084 42.059 0.056 0.000 0.908 200 L HN 0.882 nan 8.230 nan 0.000 0.438 201 G N -1.314 107.650 108.800 0.274 0.000 2.440 201 G HA2 -0.306 3.655 3.960 0.001 0.000 0.218 201 G HA3 -0.306 3.655 3.960 0.001 0.000 0.218 201 G C 1.485 176.511 174.900 0.210 0.000 1.154 201 G CA 0.773 46.034 45.100 0.268 0.000 0.767 201 G HN 0.519 nan 8.290 nan 0.000 0.552 202 Q N -0.408 119.465 119.800 0.121 0.000 2.224 202 Q HA -0.056 4.285 4.340 0.001 0.000 0.203 202 Q C 2.369 178.346 176.000 -0.038 0.000 0.970 202 Q CA 1.302 57.128 55.803 0.037 0.000 0.865 202 Q CB -0.017 28.728 28.738 0.012 0.000 0.922 202 Q HN 0.636 nan 8.270 nan 0.000 0.445 203 E N -0.002 120.192 120.200 -0.010 0.000 2.107 203 E HA -0.150 4.201 4.350 0.001 0.000 0.191 203 E C 1.081 177.316 176.600 -0.607 0.000 0.982 203 E CA 1.088 57.337 56.400 -0.252 0.000 0.809 203 E CB -0.048 29.616 29.700 -0.061 0.000 0.756 203 E HN 0.279 nan 8.360 nan 0.000 0.459 204 F N 0.021 119.878 119.950 -0.154 0.000 2.512 204 F HA 0.207 4.735 4.527 0.001 0.000 0.296 204 F C 2.383 178.236 175.800 0.089 0.000 1.110 204 F CA 0.753 58.825 58.000 0.120 0.000 1.446 204 F CB 0.009 39.276 39.000 0.445 0.000 1.092 204 F HN -0.014 nan 8.300 nan 0.000 0.554 205 R N 0.327 120.895 120.500 0.114 0.000 2.161 205 R HA 0.059 4.400 4.340 0.001 0.000 0.213 205 R C 2.276 178.526 176.300 -0.083 0.000 1.055 205 R CA 0.934 57.072 56.100 0.063 0.000 0.996 205 R CB -0.249 30.082 30.300 0.053 0.000 0.901 205 R HN 0.148 nan 8.270 nan 0.000 0.456 206 A N 0.603 123.282 122.820 -0.236 0.000 1.908 206 A HA -0.161 4.160 4.320 0.001 0.000 0.218 206 A C 1.656 179.061 177.584 -0.299 0.000 1.181 206 A CA 1.271 53.124 52.037 -0.307 0.000 0.627 206 A CB -0.631 18.094 19.000 -0.459 0.000 0.818 206 A HN 0.333 nan 8.150 nan 0.000 0.445 207 F N 0.921 120.675 119.950 -0.326 0.000 2.051 207 F HA -0.152 4.376 4.527 0.002 0.000 0.296 207 F C 3.069 178.502 175.800 -0.611 0.000 1.122 207 F CA 1.415 59.043 58.000 -0.620 0.000 1.201 207 F CB -1.223 37.085 39.000 -1.152 0.000 0.978 207 F HN 0.345 nan 8.300 nan 0.000 0.472 208 S N 0.361 115.880 115.700 -0.302 0.000 2.419 208 S HA -0.152 4.319 4.470 0.001 0.000 0.235 208 S C 1.987 176.551 174.600 -0.061 0.000 1.019 208 S CA 1.196 59.331 58.200 -0.108 0.000 0.982 208 S CB -0.714 62.553 63.200 0.112 0.000 0.789 208 S HN 0.217 nan 8.310 nan 0.000 0.490 209 I N 1.176 121.702 120.570 -0.073 0.000 2.406 209 I HA 0.074 4.244 4.170 0.001 0.000 0.249 209 I C 2.400 178.478 176.117 -0.065 0.000 1.122 209 I CA 0.606 61.873 61.300 -0.055 0.000 1.431 209 I CB -1.320 36.644 38.000 -0.059 0.000 1.087 209 I HN 0.368 nan 8.210 nan 0.000 0.424 210 L N 0.267 121.437 121.223 -0.089 0.000 2.046 210 L HA -0.191 4.150 4.340 0.001 0.000 0.208 210 L C 2.407 179.235 176.870 -0.070 0.000 1.077 210 L CA 1.376 56.171 54.840 -0.076 0.000 0.747 210 L CB -0.029 41.987 42.059 -0.071 0.000 0.896 210 L HN 0.168 nan 8.230 nan 0.000 0.432 211 L N -0.899 120.273 121.223 -0.084 0.000 2.341 211 L HA -0.134 4.207 4.340 0.001 0.000 0.214 211 L C 2.415 179.262 176.870 -0.038 0.000 1.115 211 L CA 0.352 55.157 54.840 -0.058 0.000 0.820 211 L CB -0.363 41.668 42.059 -0.046 0.000 0.944 211 L HN 0.187 nan 8.230 nan 0.000 0.452 212 K N 0.734 121.113 120.400 -0.034 0.000 2.103 212 K HA -0.184 4.137 4.320 0.001 0.000 0.207 212 K C 1.982 178.564 176.600 -0.029 0.000 1.048 212 K CA 1.354 57.627 56.287 -0.023 0.000 0.930 212 K CB 0.059 32.548 32.500 -0.018 0.000 0.716 212 K HN 0.149 nan 8.250 nan 0.000 0.444 213 E N 0.353 120.532 120.200 -0.035 0.000 2.107 213 E HA -0.120 4.231 4.350 0.001 0.000 0.191 213 E C 1.821 178.397 176.600 -0.039 0.000 0.982 213 E CA 0.678 57.057 56.400 -0.035 0.000 0.809 213 E CB 0.013 29.692 29.700 -0.036 0.000 0.756 213 E HN 0.354 nan 8.360 nan 0.000 0.459 214 E N 0.660 120.834 120.200 -0.043 0.000 2.085 214 E HA -0.123 4.228 4.350 0.001 0.000 0.194 214 E C 2.343 178.912 176.600 -0.052 0.000 0.994 214 E CA 0.638 57.009 56.400 -0.048 0.000 0.801 214 E CB -0.295 29.376 29.700 -0.049 0.000 0.743 214 E HN 0.108 nan 8.360 nan 0.000 0.453 215 V N 1.923 121.808 119.914 -0.048 0.000 2.307 215 V HA -0.214 3.907 4.120 0.001 0.000 0.245 215 V C 2.351 178.413 176.094 -0.053 0.000 1.045 215 V CA 1.462 63.730 62.300 -0.053 0.000 1.024 215 V CB -0.438 31.360 31.823 -0.042 0.000 0.651 215 V HN 0.122 nan 8.190 nan 0.000 0.449 216 K N 0.645 121.021 120.400 -0.041 0.000 2.044 216 K HA -0.229 4.091 4.320 0.001 0.000 0.210 216 K C 2.074 178.649 176.600 -0.041 0.000 1.049 216 K CA 1.921 58.187 56.287 -0.036 0.000 0.927 216 K CB -0.933 31.550 32.500 -0.029 0.000 0.713 216 K HN 0.627 nan 8.250 nan 0.000 0.443 217 N N 0.859 119.533 118.700 -0.044 0.000 2.171 217 N HA -0.105 4.636 4.740 0.001 0.000 0.184 217 N C 2.004 177.481 175.510 -0.056 0.000 1.021 217 N CA 0.730 53.753 53.050 -0.045 0.000 0.854 217 N CB 0.040 38.501 38.487 -0.043 0.000 0.994 217 N HN 0.110 nan 8.380 nan 0.000 0.426 218 I N 1.152 121.681 120.570 -0.068 0.000 2.076 218 I HA -0.268 3.903 4.170 0.001 0.000 0.237 218 I C 2.610 178.660 176.117 -0.111 0.000 1.059 218 I CA 1.310 62.556 61.300 -0.090 0.000 1.317 218 I CB -0.389 37.552 38.000 -0.099 0.000 1.037 218 I HN 0.216 nan 8.210 nan 0.000 0.398 219 Q N 0.567 120.297 119.800 -0.117 0.000 2.368 219 Q HA -0.223 4.118 4.340 0.001 0.000 0.210 219 Q C 2.104 178.054 176.000 -0.083 0.000 0.982 219 Q CA 1.351 57.070 55.803 -0.140 0.000 0.884 219 Q CB -0.120 28.550 28.738 -0.114 0.000 0.933 219 Q HN 0.307 nan 8.270 nan 0.000 0.460 220 R N -1.051 119.415 120.500 -0.056 0.000 2.075 220 R HA -0.055 4.286 4.340 0.001 0.000 0.220 220 R C 1.919 178.205 176.300 -0.023 0.000 1.118 220 R CA 1.682 57.764 56.100 -0.029 0.000 0.986 220 R CB -0.338 29.945 30.300 -0.028 0.000 0.884 220 R HN 0.392 nan 8.270 nan 0.000 0.439 221 T N -1.789 112.743 114.554 -0.035 0.000 3.035 221 T HA 0.113 4.463 4.350 0.001 0.000 0.268 221 T C 1.870 176.557 174.700 -0.022 0.000 1.109 221 T CA 0.752 62.835 62.100 -0.028 0.000 1.119 221 T CB 0.031 68.879 68.868 -0.033 0.000 0.900 221 T HN 0.307 nan 8.240 nan 0.000 0.503 222 A N 2.490 125.286 122.820 -0.040 0.000 2.066 222 A HA 0.006 4.327 4.320 0.001 0.000 0.218 222 A C 2.220 179.892 177.584 0.147 0.000 1.157 222 A CA 1.070 53.089 52.037 -0.030 0.000 0.670 222 A CB -0.571 18.286 19.000 -0.238 0.000 0.804 222 A HN 0.822 nan 8.150 nan 0.000 0.453 223 E N 0.529 120.806 120.200 0.127 0.000 2.478 223 E HA -0.051 4.299 4.350 0.001 0.000 0.198 223 E C 1.321 177.945 176.600 0.040 0.000 1.046 223 E CA 0.495 56.981 56.400 0.142 0.000 0.870 223 E CB -0.406 29.346 29.700 0.086 0.000 0.818 223 E HN 0.630 nan 8.360 nan 0.000 0.527 224 L N 0.363 121.597 121.223 0.019 0.000 2.217 224 L HA -0.054 4.287 4.340 0.001 0.000 0.211 224 L C 2.287 179.130 176.870 -0.045 0.000 1.107 224 L CA 0.584 55.407 54.840 -0.028 0.000 0.783 224 L CB -0.496 41.536 42.059 -0.046 0.000 0.919 224 L HN 0.205 nan 8.230 nan 0.000 0.442 225 L N -0.697 120.522 121.223 -0.006 0.000 2.109 225 L HA -0.178 4.163 4.340 0.001 0.000 0.207 225 L C 2.456 179.272 176.870 -0.090 0.000 1.086 225 L CA 0.441 55.269 54.840 -0.020 0.000 0.760 225 L CB -0.491 41.597 42.059 0.049 0.000 0.910 225 L HN 0.164 nan 8.230 nan 0.000 0.437 226 L N 0.266 121.392 121.223 -0.163 0.000 2.137 226 L HA -0.209 4.132 4.340 0.001 0.000 0.213 226 L C 1.312 178.109 176.870 -0.121 0.000 1.085 226 L CA 1.453 56.150 54.840 -0.239 0.000 0.760 226 L CB -0.843 41.073 42.059 -0.238 0.000 0.893 226 L HN 0.284 nan 8.230 nan 0.000 0.434 227 E N 0.112 120.263 120.200 -0.081 0.000 2.222 227 E HA 0.106 4.457 4.350 0.001 0.000 0.312 227 E C 0.118 176.691 176.600 -0.044 0.000 1.263 227 E CA -0.366 55.999 56.400 -0.058 0.000 1.356 227 E CB -0.101 29.568 29.700 -0.052 0.000 1.180 227 E HN 0.261 nan 8.360 nan 0.000 0.494 228 V N 0.258 120.148 119.914 -0.040 0.000 3.237 228 V HA 0.162 4.283 4.120 0.001 0.000 0.305 228 V C 0.183 176.272 176.094 -0.008 0.000 1.096 228 V CA -0.773 61.519 62.300 -0.013 0.000 1.130 228 V CB 1.122 32.940 31.823 -0.009 0.000 1.048 228 V HN 0.322 nan 8.190 nan 0.000 0.484 229 N N 2.331 121.041 118.700 0.017 0.000 2.491 229 N HA 0.567 5.308 4.740 0.001 0.000 0.274 229 N C -1.385 174.137 175.510 0.020 0.000 1.023 229 N CA -0.526 52.533 53.050 0.015 0.000 0.902 229 N CB 1.245 39.754 38.487 0.037 0.000 1.267 229 N HN 0.987 nan 8.380 nan 0.000 0.503 230 L N 3.267 124.478 121.223 -0.020 0.000 2.541 230 L HA 0.621 4.961 4.340 0.001 0.000 0.266 230 L C 0.411 177.221 176.870 -0.100 0.000 0.966 230 L CA -0.047 54.777 54.840 -0.027 0.000 0.871 230 L CB 1.103 43.139 42.059 -0.039 0.000 1.232 230 L HN 0.823 nan 8.230 nan 0.000 0.408 231 G N 2.473 111.262 108.800 -0.017 0.000 2.143 231 G HA2 -0.110 3.851 3.960 0.001 0.000 0.175 231 G HA3 -0.110 3.851 3.960 0.001 0.000 0.175 231 G C 0.207 175.126 174.900 0.032 0.000 1.004 231 G CA 0.184 45.282 45.100 -0.004 0.000 0.671 231 G HN 0.973 nan 8.290 nan 0.000 0.512 232 A N -0.685 122.156 122.820 0.035 0.000 3.155 232 A HA 0.924 5.245 4.320 0.001 0.000 0.170 232 A C 0.764 178.378 177.584 0.051 0.000 2.084 232 A CA 1.115 53.173 52.037 0.035 0.000 1.019 232 A CB 0.487 19.506 19.000 0.032 0.000 1.912 232 A HN 1.221 nan 8.150 nan 0.000 0.816 233 T N -2.349 112.232 114.554 0.045 0.000 3.486 233 T HA 0.464 4.814 4.350 0.001 0.000 0.375 233 T C 0.642 175.365 174.700 0.038 0.000 1.459 233 T CA -0.009 62.117 62.100 0.044 0.000 1.151 233 T CB 0.995 69.887 68.868 0.040 0.000 1.336 233 T HN 1.519 nan 8.240 nan 0.000 0.477 234 A N 3.331 126.175 122.820 0.039 0.000 1.861 234 A HA -0.242 4.079 4.320 0.001 0.000 0.248 234 A C 1.422 179.023 177.584 0.028 0.000 2.075 234 A CA 3.040 55.097 52.037 0.034 0.000 0.818 234 A CB -1.177 17.841 19.000 0.031 0.000 0.844 234 A HN 0.923 nan 8.150 nan 0.000 0.498 235 I N -3.209 117.375 120.570 0.024 0.000 6.654 235 I HA 0.651 4.822 4.170 0.001 0.000 0.186 235 I C 1.723 177.851 176.117 0.018 0.000 0.989 235 I CA -0.265 61.047 61.300 0.020 0.000 1.796 235 I CB -1.245 36.766 38.000 0.017 0.000 1.389 235 I HN 0.296 nan 8.210 nan 0.000 0.543 236 G N -0.260 108.549 108.800 0.016 0.000 2.529 236 G HA2 0.344 4.304 3.960 0.001 0.000 0.234 236 G HA3 0.344 4.304 3.960 0.001 0.000 0.234 236 G C 0.696 175.605 174.900 0.016 0.000 1.527 236 G CA 1.086 46.194 45.100 0.014 0.000 1.062 236 G HN 0.849 nan 8.290 nan 0.000 0.558 237 T N -0.301 114.262 114.554 0.014 0.000 1.752 237 T HA -0.055 4.295 4.350 0.001 0.000 0.121 237 T C 1.035 175.747 174.700 0.020 0.000 1.903 237 T CA 2.092 64.201 62.100 0.015 0.000 0.871 237 T CB -1.397 67.480 68.868 0.015 0.000 0.802 237 T HN 2.212 nan 8.240 nan 0.000 0.396 238 G N -0.722 108.091 108.800 0.023 0.000 2.386 238 G HA2 0.460 4.421 3.960 0.001 0.000 0.302 238 G HA3 0.460 4.421 3.960 0.001 0.000 0.302 238 G C -0.692 174.227 174.900 0.031 0.000 1.629 238 G CA -0.660 44.458 45.100 0.030 0.000 0.917 238 G HN 0.546 nan 8.290 nan 0.000 0.676 239 L N 0.125 121.370 121.223 0.037 0.000 2.776 239 L HA 0.370 4.711 4.340 0.001 0.000 0.165 239 L C 1.939 178.832 176.870 0.039 0.000 1.145 239 L CA -0.461 54.398 54.840 0.033 0.000 1.230 239 L CB 0.198 42.277 42.059 0.034 0.000 2.044 239 L HN 0.630 nan 8.230 nan 0.000 0.484 240 N N -1.407 117.314 118.700 0.036 0.000 2.461 240 N HA -0.074 4.667 4.740 0.001 0.000 0.188 240 N C 1.241 176.795 175.510 0.073 0.000 1.134 240 N CA 0.385 53.459 53.050 0.040 0.000 0.878 240 N CB 0.167 38.665 38.487 0.018 0.000 0.972 240 N HN 0.537 nan 8.380 nan 0.000 0.456 241 T N -0.349 114.263 114.554 0.096 0.000 2.635 241 T HA -0.090 4.260 4.350 0.001 0.000 0.267 241 T C -1.652 173.164 174.700 0.194 0.000 1.040 241 T CA 0.655 62.866 62.100 0.185 0.000 1.156 241 T CB -1.365 67.597 68.868 0.157 0.000 0.863 241 T HN 0.197 nan 8.240 nan 0.000 0.430 242 P HA 0.290 nan 4.420 nan 0.000 0.264 242 P C 0.311 177.665 177.300 0.089 0.000 1.193 242 P CA 0.649 63.796 63.100 0.079 0.000 0.763 242 P CB 0.435 32.164 31.700 0.049 0.000 0.810 243 K N 2.036 122.490 120.400 0.090 0.000 4.520 243 K HA 0.005 4.326 4.320 0.001 0.000 0.580 243 K C 0.562 177.213 176.600 0.085 0.000 0.983 243 K CA -0.400 55.940 56.287 0.089 0.000 0.898 243 K CB -0.032 32.538 32.500 0.117 0.000 1.717 243 K HN 0.488 nan 8.250 nan 0.000 0.761 244 E N 0.525 120.777 120.200 0.085 0.000 2.516 244 E HA -0.148 4.203 4.350 0.001 0.000 0.199 244 E C 1.092 177.753 176.600 0.103 0.000 1.069 244 E CA 0.742 57.183 56.400 0.068 0.000 0.876 244 E CB -0.161 29.574 29.700 0.057 0.000 0.843 244 E HN 0.465 nan 8.360 nan 0.000 0.530 245 Y N 3.045 123.350 120.300 0.010 0.000 2.062 245 Y HA -0.285 4.266 4.550 0.001 0.000 0.272 245 Y C 2.397 178.304 175.900 0.012 0.000 1.117 245 Y CA 1.937 60.044 58.100 0.012 0.000 1.095 245 Y CB -0.929 37.539 38.460 0.013 0.000 0.985 245 Y HN 0.150 nan 8.280 nan 0.000 0.479 246 S N 1.053 116.480 115.700 -0.454 0.000 2.457 246 S HA -0.295 4.176 4.470 0.001 0.000 0.269 246 S C -0.347 174.046 174.600 -0.344 0.000 1.139 246 S CA 2.276 60.185 58.200 -0.484 0.000 1.176 246 S CB -2.260 60.831 63.200 -0.181 0.000 1.088 246 S HN 0.451 nan 8.310 nan 0.000 0.443 247 P HA 0.092 nan 4.420 nan 0.000 0.218 247 P C 1.823 179.064 177.300 -0.098 0.000 1.152 247 P CA 0.410 63.444 63.100 -0.111 0.000 0.826 247 P CB -0.129 31.536 31.700 -0.058 0.000 0.790 248 L N -0.241 120.935 121.223 -0.080 0.000 2.046 248 L HA -0.105 4.236 4.340 0.001 0.000 0.208 248 L C 2.101 178.948 176.870 -0.038 0.000 1.077 248 L CA 2.106 56.935 54.840 -0.018 0.000 0.747 248 L CB -1.607 40.492 42.059 0.068 0.000 0.896 248 L HN -0.122 nan 8.230 nan 0.000 0.432 249 A N 0.183 122.909 122.820 -0.157 0.000 1.842 249 A HA -0.231 4.089 4.320 0.001 0.000 0.217 249 A C 2.347 179.882 177.584 -0.083 0.000 1.206 249 A CA 3.331 55.278 52.037 -0.150 0.000 0.630 249 A CB -1.688 17.020 19.000 -0.487 0.000 0.839 249 A HN 0.719 nan 8.150 nan 0.000 0.447 250 V N -2.813 117.032 119.914 -0.114 0.000 2.688 250 V HA -0.192 3.929 4.120 0.001 0.000 0.256 250 V C 1.957 178.022 176.094 -0.048 0.000 1.084 250 V CA 2.346 64.605 62.300 -0.068 0.000 1.103 250 V CB -0.871 30.910 31.823 -0.070 0.000 0.688 250 V HN 0.326 nan 8.190 nan 0.000 0.480 251 K N 0.599 120.972 120.400 -0.045 0.000 2.209 251 K HA -0.036 4.285 4.320 0.001 0.000 0.204 251 K C 2.079 178.666 176.600 -0.021 0.000 1.048 251 K CA 1.113 57.383 56.287 -0.029 0.000 0.940 251 K CB -0.234 32.254 32.500 -0.020 0.000 0.729 251 K HN 0.479 nan 8.250 nan 0.000 0.451 252 K N 0.253 120.644 120.400 -0.015 0.000 2.166 252 K HA 0.020 4.341 4.320 0.001 0.000 0.201 252 K C 1.974 178.560 176.600 -0.023 0.000 1.052 252 K CA 0.095 56.377 56.287 -0.008 0.000 0.969 252 K CB -0.446 32.063 32.500 0.016 0.000 0.761 252 K HN 0.007 nan 8.250 nan 0.000 0.459 253 L N 1.790 122.998 121.223 -0.025 0.000 2.013 253 L HA -0.123 4.218 4.340 0.001 0.000 0.212 253 L C 2.068 178.900 176.870 -0.063 0.000 1.073 253 L CA 2.108 56.928 54.840 -0.033 0.000 0.753 253 L CB -1.017 41.028 42.059 -0.023 0.000 0.890 253 L HN 0.149 nan 8.230 nan 0.000 0.432 254 A N -1.420 121.365 122.820 -0.058 0.000 2.066 254 A HA -0.194 4.127 4.320 0.001 0.000 0.218 254 A C 2.269 179.798 177.584 -0.093 0.000 1.157 254 A CA 1.331 53.325 52.037 -0.073 0.000 0.670 254 A CB -0.606 18.369 19.000 -0.043 0.000 0.804 254 A HN 0.619 nan 8.150 nan 0.000 0.453 255 E N -0.369 119.789 120.200 -0.069 0.000 2.347 255 E HA -0.045 4.305 4.350 0.001 0.000 0.196 255 E C 1.401 177.950 176.600 -0.085 0.000 1.008 255 E CA 0.969 57.331 56.400 -0.063 0.000 0.852 255 E CB 0.068 29.746 29.700 -0.036 0.000 0.783 255 E HN 0.423 nan 8.360 nan 0.000 0.505 256 V N -0.000 119.849 119.914 -0.108 0.000 2.502 256 V HA -0.165 3.956 4.120 0.001 0.000 0.234 256 V C 2.602 178.556 176.094 -0.232 0.000 1.072 256 V CA 1.593 63.818 62.300 -0.125 0.000 1.094 256 V CB -0.828 30.941 31.823 -0.089 0.000 0.761 256 V HN 0.451 nan 8.190 nan 0.000 0.489 257 T N -0.451 113.902 114.554 -0.335 0.000 2.653 257 T HA -0.140 4.211 4.350 0.001 0.000 0.268 257 T C 1.678 175.776 174.700 -1.004 0.000 1.035 257 T CA 2.354 64.004 62.100 -0.751 0.000 1.154 257 T CB -0.863 67.522 68.868 -0.805 0.000 0.862 257 T HN 1.554 nan 8.240 nan 0.000 0.441 258 G N 0.647 109.096 108.800 -0.586 0.000 2.141 258 G HA2 -0.110 3.850 3.960 0.001 0.000 0.231 258 G HA3 -0.110 3.850 3.960 0.001 0.000 0.231 258 G C -0.190 174.618 174.900 -0.153 0.000 0.984 258 G CA -0.083 44.823 45.100 -0.324 0.000 0.660 258 G HN 0.577 nan 8.290 nan 0.000 0.525 259 F N 0.622 120.550 119.950 -0.038 0.000 2.422 259 F HA 0.532 5.060 4.527 0.001 0.000 0.333 259 F C -1.131 174.600 175.800 -0.115 0.000 1.095 259 F CA -3.098 54.844 58.000 -0.096 0.000 1.038 259 F CB 1.374 40.227 39.000 -0.244 0.000 1.156 259 F HN -0.147 nan 8.300 nan 0.000 0.483 260 P HA 0.015 nan 4.420 nan 0.000 0.271 260 P C 0.042 177.324 177.300 -0.030 0.000 1.535 260 P CA -0.111 63.000 63.100 0.018 0.000 0.820 260 P CB -0.974 30.744 31.700 0.029 0.000 1.606 261 C N -0.121 119.152 119.300 -0.045 0.000 2.641 261 C HA 0.407 4.868 4.460 0.001 0.000 0.412 261 C C 0.931 175.891 174.990 -0.050 0.000 1.312 261 C CA -0.848 58.126 59.018 -0.074 0.000 1.838 261 C CB -0.668 27.039 27.740 -0.055 0.000 2.682 261 C HN 0.369 nan 8.230 nan 0.000 0.627 262 V N -1.938 117.945 119.914 -0.053 0.000 3.181 262 V HA 0.789 4.910 4.120 0.001 0.000 0.308 262 V C -3.104 172.965 176.094 -0.043 0.000 1.214 262 V CA -2.505 59.769 62.300 -0.042 0.000 1.053 262 V CB 1.281 33.083 31.823 -0.035 0.000 1.069 262 V HN 0.679 nan 8.190 nan 0.000 0.441 263 P HA 0.306 nan 4.420 nan 0.000 0.263 263 P C 0.279 177.558 177.300 -0.035 0.000 1.195 263 P CA 0.876 63.951 63.100 -0.042 0.000 0.762 263 P CB 0.352 32.027 31.700 -0.042 0.000 0.799 264 A N 4.217 127.018 122.820 -0.033 0.000 2.599 264 A HA -0.133 4.188 4.320 0.001 0.000 0.240 264 A C 1.626 179.193 177.584 -0.028 0.000 1.109 264 A CA 0.620 52.639 52.037 -0.030 0.000 0.798 264 A CB -0.176 18.810 19.000 -0.023 0.000 1.050 264 A HN 0.697 nan 8.150 nan 0.000 0.518 265 E N 0.496 120.678 120.200 -0.030 0.000 2.233 265 E HA -0.240 4.111 4.350 0.001 0.000 0.210 265 E C 0.566 177.154 176.600 -0.020 0.000 1.046 265 E CA 2.204 58.588 56.400 -0.026 0.000 0.844 265 E CB -0.479 29.203 29.700 -0.029 0.000 0.741 265 E HN 0.856 nan 8.360 nan 0.000 0.465 266 D N -1.872 118.517 120.400 -0.018 0.000 4.708 266 D HA -0.060 4.580 4.640 0.001 0.000 0.375 266 D C 0.056 176.350 176.300 -0.010 0.000 1.731 266 D CA 0.063 54.054 54.000 -0.014 0.000 0.996 266 D CB -0.602 40.191 40.800 -0.010 0.000 1.501 266 D HN 0.257 nan 8.370 nan 0.000 0.633 267 L N -1.109 120.111 121.223 -0.005 0.000 3.229 267 L HA 0.608 4.948 4.340 0.001 0.000 0.286 267 L C -0.475 176.398 176.870 0.005 0.000 1.239 267 L CA -0.505 54.335 54.840 0.001 0.000 1.035 267 L CB 0.101 42.162 42.059 0.003 0.000 1.408 267 L HN 0.200 nan 8.230 nan 0.000 0.593 268 I N -0.061 120.510 120.570 0.001 0.000 2.740 268 I HA 0.473 4.644 4.170 0.001 0.000 0.303 268 I C 0.843 176.961 176.117 0.001 0.000 1.044 268 I CA -0.580 60.722 61.300 0.003 0.000 1.064 268 I CB 1.818 39.819 38.000 0.002 0.000 1.249 268 I HN 0.074 nan 8.210 nan 0.000 0.433 269 E N 3.171 123.373 120.200 0.003 0.000 4.234 269 E HA -0.379 3.972 4.350 0.001 0.000 0.187 269 E C 1.149 177.751 176.600 0.004 0.000 1.237 269 E CA 1.811 58.212 56.400 0.002 0.000 2.362 269 E CB -1.219 28.478 29.700 -0.005 0.000 1.813 269 E HN 1.066 nan 8.360 nan 0.000 0.402 270 A N -0.721 122.099 122.820 -0.001 0.000 5.222 270 A HA -0.469 3.852 4.320 0.001 0.000 0.373 270 A C 1.835 179.425 177.584 0.011 0.000 1.531 270 A CA 5.089 57.127 52.037 0.002 0.000 0.751 270 A CB -2.310 16.698 19.000 0.014 0.000 1.543 270 A HN 1.082 nan 8.150 nan 0.000 0.434 271 T N 0.155 114.730 114.554 0.034 0.000 2.836 271 T HA -0.101 4.249 4.350 0.001 0.000 0.268 271 T C 0.920 175.645 174.700 0.041 0.000 1.080 271 T CA 1.770 63.903 62.100 0.056 0.000 1.128 271 T CB -0.797 68.111 68.868 0.066 0.000 0.839 271 T HN 0.826 nan 8.240 nan 0.000 0.507 272 S N 2.495 118.209 115.700 0.024 0.000 2.519 272 S HA 0.124 4.594 4.470 0.001 0.000 0.320 272 S C 0.342 174.950 174.600 0.012 0.000 1.179 272 S CA -0.030 58.180 58.200 0.017 0.000 1.173 272 S CB -0.033 63.173 63.200 0.010 0.000 1.224 272 S HN 0.598 nan 8.310 nan 0.000 0.542 273 D N 1.499 121.912 120.400 0.021 0.000 2.751 273 D HA -0.205 4.436 4.640 0.001 0.000 0.233 273 D C -0.362 175.941 176.300 0.004 0.000 1.149 273 D CA 0.221 54.233 54.000 0.020 0.000 0.682 273 D CB -1.536 39.271 40.800 0.011 0.000 1.068 273 D HN 0.578 nan 8.370 nan 0.000 0.429 274 C N 0.622 119.918 119.300 -0.006 0.000 2.663 274 C HA 0.454 4.914 4.460 0.001 0.000 0.379 274 C C 1.861 176.756 174.990 -0.160 0.000 1.255 274 C CA 0.401 59.363 59.018 -0.092 0.000 1.503 274 C CB -1.085 26.579 27.740 -0.128 0.000 2.187 274 C HN 0.488 nan 8.230 nan 0.000 0.580 275 G N 3.370 112.104 108.800 -0.111 0.000 3.562 275 G HA2 0.336 4.297 3.960 0.001 0.000 0.279 275 G HA3 0.336 4.297 3.960 0.001 0.000 0.279 275 G C 1.141 175.966 174.900 -0.126 0.000 1.314 275 G CA 0.539 45.597 45.100 -0.069 0.000 1.189 275 G HN 0.914 nan 8.290 nan 0.000 0.562 276 A N -0.144 122.485 122.820 -0.319 0.000 2.168 276 A HA 0.107 4.428 4.320 0.001 0.000 0.215 276 A C 1.715 179.216 177.584 -0.139 0.000 1.152 276 A CA 0.680 52.565 52.037 -0.253 0.000 0.716 276 A CB -0.252 18.546 19.000 -0.336 0.000 0.794 276 A HN 0.440 nan 8.150 nan 0.000 0.465 277 Y N -0.946 119.377 120.300 0.039 0.000 2.420 277 Y HA -0.004 4.546 4.550 0.001 0.000 0.292 277 Y C 2.340 178.279 175.900 0.064 0.000 1.119 277 Y CA 0.361 58.495 58.100 0.057 0.000 1.229 277 Y CB -0.839 37.685 38.460 0.108 0.000 1.026 277 Y HN 0.086 nan 8.280 nan 0.000 0.554 278 V N -0.598 119.419 119.914 0.173 0.000 2.515 278 V HA -0.275 3.846 4.120 0.001 0.000 0.250 278 V C 2.194 178.346 176.094 0.097 0.000 1.058 278 V CA 1.425 63.800 62.300 0.124 0.000 1.064 278 V CB -0.446 31.418 31.823 0.068 0.000 0.675 278 V HN 0.316 nan 8.190 nan 0.000 0.461 279 M N 0.117 119.753 119.600 0.061 0.000 2.216 279 M HA -0.015 4.466 4.480 0.001 0.000 0.264 279 M C 2.446 178.767 176.300 0.034 0.000 1.080 279 M CA 1.664 56.981 55.300 0.029 0.000 1.153 279 M CB -1.119 31.479 32.600 -0.003 0.000 1.356 279 M HN 0.433 nan 8.290 nan 0.000 0.432 280 V N -2.263 117.686 119.914 0.058 0.000 2.515 280 V HA -0.234 3.887 4.120 0.001 0.000 0.250 280 V C 2.383 178.514 176.094 0.061 0.000 1.058 280 V CA 1.942 64.266 62.300 0.040 0.000 1.064 280 V CB -1.271 30.576 31.823 0.041 0.000 0.675 280 V HN 0.492 nan 8.190 nan 0.000 0.461 281 H N 1.300 120.379 119.070 0.014 0.000 2.355 281 H HA 0.051 4.608 4.556 0.001 0.000 0.303 281 H C 2.380 177.708 175.328 0.001 0.000 1.061 281 H CA 1.288 57.339 56.048 0.004 0.000 1.368 281 H CB -0.187 29.589 29.762 0.024 0.000 1.412 281 H HN 0.515 nan 8.280 nan 0.000 0.523 282 G N 0.357 109.174 108.800 0.029 0.000 2.532 282 G HA2 -0.320 3.640 3.960 0.001 0.000 0.222 282 G HA3 -0.320 3.640 3.960 0.001 0.000 0.222 282 G C 1.731 176.582 174.900 -0.081 0.000 1.102 282 G CA 0.992 46.073 45.100 -0.031 0.000 0.742 282 G HN 0.545 nan 8.290 nan 0.000 0.577 283 A N 0.408 123.180 122.820 -0.079 0.000 1.874 283 A HA 0.233 4.553 4.320 0.001 0.000 0.214 283 A C 2.271 179.782 177.584 -0.122 0.000 1.189 283 A CA 1.046 53.033 52.037 -0.084 0.000 0.615 283 A CB -0.306 18.654 19.000 -0.067 0.000 0.830 283 A HN 0.230 nan 8.150 nan 0.000 0.443 284 L N 0.421 121.539 121.223 -0.175 0.000 2.127 284 L HA -0.159 4.182 4.340 0.001 0.000 0.211 284 L C 2.294 179.033 176.870 -0.218 0.000 1.089 284 L CA 2.173 56.892 54.840 -0.202 0.000 0.757 284 L CB -1.199 40.710 42.059 -0.250 0.000 0.899 284 L HN 0.525 nan 8.230 nan 0.000 0.434 285 K N -0.212 120.021 120.400 -0.277 0.000 2.155 285 K HA -0.171 4.149 4.320 0.001 0.000 0.203 285 K C 2.310 178.852 176.600 -0.096 0.000 1.052 285 K CA 0.780 56.959 56.287 -0.179 0.000 0.948 285 K CB 0.133 32.536 32.500 -0.161 0.000 0.728 285 K HN 0.135 nan 8.250 nan 0.000 0.448 286 R N 0.604 121.050 120.500 -0.090 0.000 2.073 286 R HA -0.138 4.203 4.340 0.001 0.000 0.234 286 R C 2.320 178.588 176.300 -0.052 0.000 1.134 286 R CA 1.271 57.335 56.100 -0.060 0.000 0.952 286 R CB -0.341 29.925 30.300 -0.057 0.000 0.850 286 R HN 0.188 nan 8.270 nan 0.000 0.433 287 L N 0.983 122.169 121.223 -0.062 0.000 2.129 287 L HA -0.141 4.199 4.340 0.001 0.000 0.212 287 L C 2.149 178.999 176.870 -0.033 0.000 1.087 287 L CA 2.044 56.854 54.840 -0.050 0.000 0.757 287 L CB -0.673 41.352 42.059 -0.057 0.000 0.896 287 L HN 0.288 nan 8.230 nan 0.000 0.434 288 A N -0.594 122.207 122.820 -0.032 0.000 1.828 288 A HA -0.197 4.124 4.320 0.001 0.000 0.215 288 A C 2.318 179.915 177.584 0.022 0.000 1.203 288 A CA 2.873 54.912 52.037 0.003 0.000 0.614 288 A CB -1.503 17.501 19.000 0.006 0.000 0.844 288 A HN 0.513 nan 8.150 nan 0.000 0.445 289 V N -2.074 117.843 119.914 0.005 0.000 2.453 289 V HA -0.273 3.848 4.120 0.001 0.000 0.252 289 V C 2.029 178.126 176.094 0.006 0.000 1.068 289 V CA 2.398 64.702 62.300 0.007 0.000 1.070 289 V CB -0.889 30.925 31.823 -0.014 0.000 0.664 289 V HN 0.380 nan 8.190 nan 0.000 0.461 290 K N 0.306 120.701 120.400 -0.009 0.000 1.992 290 K HA 0.145 4.466 4.320 0.001 0.000 0.210 290 K C 2.319 178.909 176.600 -0.017 0.000 1.036 290 K CA 1.817 58.095 56.287 -0.016 0.000 0.946 290 K CB -0.857 31.625 32.500 -0.029 0.000 0.742 290 K HN 0.469 nan 8.250 nan 0.000 0.442 291 M N 1.252 120.839 119.600 -0.021 0.000 2.146 291 M HA -0.245 4.236 4.480 0.001 0.000 0.256 291 M C 2.470 178.759 176.300 -0.019 0.000 1.075 291 M CA 1.651 56.937 55.300 -0.024 0.000 1.082 291 M CB -0.473 32.118 32.600 -0.015 0.000 1.355 291 M HN 0.173 nan 8.290 nan 0.000 0.402 292 S N 0.486 116.195 115.700 0.014 0.000 2.354 292 S HA -0.207 4.264 4.470 0.001 0.000 0.219 292 S C 2.007 176.624 174.600 0.027 0.000 1.035 292 S CA 1.714 59.942 58.200 0.046 0.000 1.037 292 S CB -0.300 62.984 63.200 0.140 0.000 0.956 292 S HN 0.364 nan 8.310 nan 0.000 0.428 293 K N 1.018 121.434 120.400 0.027 0.000 2.160 293 K HA -0.109 4.212 4.320 0.001 0.000 0.206 293 K C 2.079 178.671 176.600 -0.014 0.000 1.047 293 K CA 1.630 57.929 56.287 0.019 0.000 0.930 293 K CB -0.633 31.880 32.500 0.022 0.000 0.720 293 K HN 0.574 nan 8.250 nan 0.000 0.450 294 I N 0.467 120.997 120.570 -0.066 0.000 2.361 294 I HA -0.308 3.863 4.170 0.001 0.000 0.251 294 I C 2.313 178.271 176.117 -0.265 0.000 1.133 294 I CA 0.891 62.051 61.300 -0.234 0.000 1.413 294 I CB -0.230 37.607 38.000 -0.272 0.000 1.073 294 I HN 0.208 nan 8.210 nan 0.000 0.424 295 C N 0.472 119.698 119.300 -0.124 0.000 2.495 295 C HA 0.005 4.466 4.460 0.001 0.000 0.275 295 C C 2.389 177.347 174.990 -0.054 0.000 1.392 295 C CA 0.368 59.331 59.018 -0.091 0.000 1.766 295 C CB -1.365 26.338 27.740 -0.061 0.000 1.933 295 C HN 0.517 nan 8.230 nan 0.000 0.519 296 N N 1.565 120.250 118.700 -0.025 0.000 2.216 296 N HA -0.083 4.658 4.740 0.001 0.000 0.183 296 N C 1.097 176.613 175.510 0.009 0.000 1.017 296 N CA 1.280 54.336 53.050 0.009 0.000 0.861 296 N CB -0.231 38.278 38.487 0.036 0.000 0.986 296 N HN 0.465 nan 8.380 nan 0.000 0.428 297 D N 0.342 120.743 120.400 0.002 0.000 2.077 297 D HA -0.043 4.598 4.640 0.001 0.000 0.196 297 D C 1.976 178.293 176.300 0.028 0.000 0.986 297 D CA 0.691 54.716 54.000 0.042 0.000 0.829 297 D CB -0.456 40.425 40.800 0.136 0.000 0.983 297 D HN 0.130 nan 8.370 nan 0.000 0.453 298 L N 0.512 121.714 121.223 -0.036 0.000 2.021 298 L HA -0.220 4.121 4.340 0.001 0.000 0.215 298 L C 2.555 179.443 176.870 0.030 0.000 1.074 298 L CA 1.433 56.274 54.840 0.001 0.000 0.760 298 L CB -0.437 41.594 42.059 -0.047 0.000 0.889 298 L HN 0.011 nan 8.230 nan 0.000 0.433 299 R N -0.464 120.042 120.500 0.010 0.000 2.105 299 R HA -0.199 4.142 4.340 0.001 0.000 0.239 299 R C 2.148 178.466 176.300 0.029 0.000 1.135 299 R CA 1.464 57.574 56.100 0.017 0.000 0.967 299 R CB -0.466 29.838 30.300 0.007 0.000 0.861 299 R HN 0.248 nan 8.270 nan 0.000 0.442 300 L N 0.462 121.705 121.223 0.033 0.000 2.307 300 L HA 0.057 4.397 4.340 0.001 0.000 0.211 300 L C 1.791 178.692 176.870 0.052 0.000 1.099 300 L CA 1.214 56.077 54.840 0.037 0.000 0.816 300 L CB -0.083 41.995 42.059 0.030 0.000 0.952 300 L HN 0.077 nan 8.230 nan 0.000 0.455 301 L N -0.404 120.859 121.223 0.067 0.000 2.141 301 L HA -0.077 4.264 4.340 0.001 0.000 0.209 301 L C 1.788 178.715 176.870 0.094 0.000 1.094 301 L CA 1.322 56.217 54.840 0.093 0.000 0.763 301 L CB -0.525 41.611 42.059 0.128 0.000 0.908 301 L HN 0.521 nan 8.230 nan 0.000 0.437 302 S N -1.331 114.416 115.700 0.079 0.000 2.573 302 S HA 0.125 4.596 4.470 0.001 0.000 0.244 302 S C 0.844 175.475 174.600 0.052 0.000 0.984 302 S CA -0.442 57.797 58.200 0.066 0.000 1.001 302 S CB -0.350 62.889 63.200 0.064 0.000 0.788 302 S HN 0.348 nan 8.310 nan 0.000 0.456 303 S N 1.217 116.949 115.700 0.053 0.000 2.680 303 S HA 0.416 4.887 4.470 0.001 0.000 0.249 303 S C 1.035 175.660 174.600 0.042 0.000 1.358 303 S CA -0.099 58.127 58.200 0.044 0.000 0.963 303 S CB -1.155 62.071 63.200 0.043 0.000 0.984 303 S HN 0.926 nan 8.310 nan 0.000 0.584 304 G N 2.424 111.246 108.800 0.036 0.000 2.337 304 G HA2 0.184 4.145 3.960 0.001 0.000 0.265 304 G HA3 0.184 4.145 3.960 0.001 0.000 0.265 304 G C -2.154 172.766 174.900 0.033 0.000 0.745 304 G CA -0.527 44.592 45.100 0.032 0.000 1.005 304 G HN 0.629 nan 8.290 nan 0.000 0.323 305 P HA 0.212 nan 4.420 nan 0.000 0.276 305 P C 0.422 177.733 177.300 0.017 0.000 1.235 305 P CA -0.445 62.668 63.100 0.020 0.000 0.772 305 P CB 1.152 32.861 31.700 0.015 0.000 0.871 306 R N 2.427 122.936 120.500 0.014 0.000 3.994 306 R HA -0.186 4.155 4.340 0.001 0.000 0.403 306 R C -0.536 175.776 176.300 0.020 0.000 1.126 306 R CA 1.604 57.711 56.100 0.012 0.000 1.143 306 R CB -2.261 28.044 30.300 0.008 0.000 1.695 306 R HN 0.670 nan 8.270 nan 0.000 0.555 307 A N -1.348 121.490 122.820 0.030 0.000 2.778 307 A HA 0.576 4.897 4.320 0.001 0.000 0.249 307 A C 0.189 177.799 177.584 0.044 0.000 1.317 307 A CA 0.216 52.275 52.037 0.036 0.000 1.170 307 A CB -0.027 18.989 19.000 0.026 0.000 1.341 307 A HN 1.201 nan 8.150 nan 0.000 0.785 308 G N -0.382 108.456 108.800 0.064 0.000 2.347 308 G HA2 0.537 4.498 3.960 0.001 0.000 0.303 308 G HA3 0.537 4.498 3.960 0.001 0.000 0.303 308 G C -1.146 173.822 174.900 0.113 0.000 1.481 308 G CA -0.984 44.158 45.100 0.071 0.000 0.914 308 G HN 0.917 nan 8.290 nan 0.000 0.638 309 L N 1.759 123.051 121.223 0.115 0.000 2.865 309 L HA 0.104 4.445 4.340 0.001 0.000 0.283 309 L C 1.168 178.127 176.870 0.149 0.000 1.101 309 L CA -0.004 54.939 54.840 0.173 0.000 1.061 309 L CB -0.336 41.779 42.059 0.093 0.000 1.437 309 L HN 0.551 nan 8.230 nan 0.000 0.460 310 N N 2.071 120.863 118.700 0.153 0.000 2.714 310 N HA 0.046 4.786 4.740 0.001 0.000 0.298 310 N C 1.040 176.580 175.510 0.049 0.000 1.298 310 N CA 0.020 53.113 53.050 0.071 0.000 1.007 310 N CB 0.221 38.727 38.487 0.031 0.000 1.318 310 N HN 0.598 nan 8.380 nan 0.000 0.516 311 E N -0.471 119.789 120.200 0.100 0.000 2.046 311 E HA -0.014 4.337 4.350 0.001 0.000 0.190 311 E C 0.975 177.571 176.600 -0.007 0.000 0.982 311 E CA 0.950 57.391 56.400 0.068 0.000 0.800 311 E CB 0.299 30.084 29.700 0.142 0.000 0.756 311 E HN 0.606 nan 8.360 nan 0.000 0.449 312 I N -2.620 117.966 120.570 0.027 0.000 3.540 312 I HA 0.433 4.604 4.170 0.001 0.000 0.288 312 I C -0.660 175.471 176.117 0.022 0.000 1.169 312 I CA -1.143 60.155 61.300 -0.004 0.000 1.038 312 I CB 1.551 39.604 38.000 0.088 0.000 1.338 312 I HN -0.271 nan 8.210 nan 0.000 0.507 313 N N 2.291 121.013 118.700 0.036 0.000 2.571 313 N HA 0.359 5.099 4.740 0.001 0.000 0.286 313 N C -1.523 174.020 175.510 0.056 0.000 1.138 313 N CA -0.414 52.660 53.050 0.040 0.000 0.859 313 N CB 2.213 40.716 38.487 0.027 0.000 1.414 313 N HN 0.380 nan 8.380 nan 0.000 0.529 314 L N 2.459 123.713 121.223 0.051 0.000 2.371 314 L HA 0.478 4.818 4.340 0.001 0.000 0.272 314 L C -1.744 175.144 176.870 0.030 0.000 1.124 314 L CA -1.686 53.181 54.840 0.045 0.000 0.816 314 L CB -0.205 41.876 42.059 0.036 0.000 1.129 314 L HN 0.207 nan 8.230 nan 0.000 0.448 315 P HA 0.007 nan 4.420 nan 0.000 0.263 315 P C -0.317 176.989 177.300 0.010 0.000 1.195 315 P CA -0.098 63.011 63.100 0.015 0.000 0.762 315 P CB 0.391 32.097 31.700 0.010 0.000 0.799 316 E N 3.275 123.480 120.200 0.009 0.000 2.159 316 E HA 0.034 4.384 4.350 0.001 0.000 0.272 316 E C 0.150 176.752 176.600 0.004 0.000 1.138 316 E CA 0.356 56.760 56.400 0.007 0.000 0.915 316 E CB -0.320 29.384 29.700 0.007 0.000 1.028 316 E HN 0.394 nan 8.360 nan 0.000 0.423 317 L N 2.948 124.173 121.223 0.002 0.000 2.388 317 L HA 0.132 4.473 4.340 0.001 0.000 0.209 317 L C 1.410 178.280 176.870 0.000 0.000 1.061 317 L CA 0.063 54.903 54.840 0.000 0.000 0.834 317 L CB -0.110 41.948 42.059 -0.002 0.000 1.029 317 L HN 0.549 nan 8.230 nan 0.000 0.473 318 Q N 0.131 119.931 119.800 0.000 0.000 2.286 318 Q HA 0.444 4.785 4.340 0.001 0.000 0.169 318 Q C -0.054 175.947 176.000 0.002 0.000 1.082 318 Q CA -0.381 55.422 55.803 0.001 0.000 1.101 318 Q CB 0.496 29.234 28.738 0.000 0.000 1.877 318 Q HN 0.258 nan 8.270 nan 0.000 0.561 319 A N 0.112 122.933 122.820 0.002 0.000 2.301 319 A HA 0.540 4.861 4.320 0.001 0.000 0.298 319 A C 0.186 177.772 177.584 0.003 0.000 1.185 319 A CA -0.036 52.002 52.037 0.002 0.000 0.830 319 A CB 0.214 19.215 19.000 0.002 0.000 1.112 319 A HN 0.623 nan 8.150 nan 0.000 0.508 320 G N 0.922 109.724 108.800 0.003 0.000 2.559 320 G HA2 0.343 4.303 3.960 0.001 0.000 0.235 320 G HA3 0.343 4.303 3.960 0.001 0.000 0.235 320 G C 0.355 175.258 174.900 0.004 0.000 1.266 320 G CA -0.093 45.009 45.100 0.004 0.000 0.847 320 G HN 0.754 nan 8.290 nan 0.000 0.583 321 S N 1.048 116.751 115.700 0.004 0.000 2.945 321 S HA 0.159 4.630 4.470 0.001 0.000 0.227 321 S C 1.984 176.586 174.600 0.004 0.000 1.353 321 S CA 0.061 58.264 58.200 0.004 0.000 1.236 321 S CB -0.068 63.135 63.200 0.005 0.000 1.069 321 S HN 0.975 nan 8.310 nan 0.000 0.509 322 S N 2.996 118.698 115.700 0.003 0.000 2.343 322 S HA -0.324 4.147 4.470 0.001 0.000 0.324 322 S C 1.480 176.082 174.600 0.003 0.000 1.144 322 S CA 1.921 60.122 58.200 0.003 0.000 1.548 322 S CB -1.085 62.117 63.200 0.003 0.000 1.368 322 S HN 0.668 nan 8.310 nan 0.000 0.477 323 I N 0.506 121.078 120.570 0.003 0.000 3.176 323 I HA 0.037 4.208 4.170 0.001 0.000 0.275 323 I C 0.449 176.568 176.117 0.003 0.000 1.298 323 I CA 0.730 62.032 61.300 0.003 0.000 1.445 323 I CB -0.548 37.454 38.000 0.003 0.000 1.075 323 I HN 0.309 nan 8.210 nan 0.000 0.482 324 M N -0.659 118.944 119.600 0.004 0.000 3.287 324 M HA 0.306 4.787 4.480 0.001 0.000 0.336 324 M C -2.009 174.294 176.300 0.005 0.000 1.573 324 M CA -1.906 53.397 55.300 0.005 0.000 0.609 324 M CB -0.068 32.535 32.600 0.005 0.000 1.421 324 M HN -0.272 nan 8.290 nan 0.000 0.476 325 P HA -0.143 nan 4.420 nan 0.000 0.228 325 P C 0.265 177.568 177.300 0.006 0.000 1.143 325 P CA 1.034 64.136 63.100 0.005 0.000 0.771 325 P CB -0.020 31.683 31.700 0.004 0.000 0.764 326 A N -0.117 122.707 122.820 0.007 0.000 2.990 326 A HA 0.358 4.679 4.320 0.001 0.000 0.282 326 A C 0.305 177.894 177.584 0.009 0.000 1.688 326 A CA 0.392 52.434 52.037 0.008 0.000 1.391 326 A CB -0.923 18.082 19.000 0.009 0.000 1.112 326 A HN 0.064 nan 8.150 nan 0.000 0.588 327 K N -0.696 119.710 120.400 0.009 0.000 2.842 327 K HA 0.402 4.723 4.320 0.001 0.000 0.291 327 K C -1.714 174.892 176.600 0.010 0.000 1.089 327 K CA -0.525 55.768 56.287 0.010 0.000 0.883 327 K CB 1.902 34.407 32.500 0.009 0.000 1.423 327 K HN 0.202 nan 8.250 nan 0.000 0.368 328 V N 2.645 122.565 119.914 0.011 0.000 4.275 328 V HA 0.064 4.185 4.120 0.001 0.000 0.316 328 V C -0.986 175.114 176.094 0.011 0.000 1.010 328 V CA -1.038 61.268 62.300 0.011 0.000 1.561 328 V CB 0.882 32.713 31.823 0.013 0.000 0.642 328 V HN 0.748 nan 8.190 nan 0.000 0.477 329 N N 4.666 123.371 118.700 0.008 0.000 2.294 329 N HA 0.037 4.777 4.740 0.001 0.000 0.263 329 N C -1.815 173.698 175.510 0.005 0.000 1.281 329 N CA -0.297 52.756 53.050 0.006 0.000 0.846 329 N CB 0.935 39.424 38.487 0.003 0.000 1.061 329 N HN 0.368 nan 8.380 nan 0.000 0.478 330 P HA 0.001 nan 4.420 nan 0.000 0.235 330 P C 0.969 178.263 177.300 -0.009 0.000 1.720 330 P CA 0.004 63.105 63.100 0.002 0.000 1.003 330 P CB 0.144 31.847 31.700 0.005 0.000 1.968 331 V N 2.282 122.191 119.914 -0.009 0.000 2.270 331 V HA -0.215 3.906 4.120 0.001 0.000 0.245 331 V C 2.477 178.556 176.094 -0.026 0.000 1.043 331 V CA 1.872 64.161 62.300 -0.017 0.000 1.014 331 V CB -0.385 31.431 31.823 -0.011 0.000 0.645 331 V HN 0.108 nan 8.190 nan 0.000 0.447 332 V N 0.388 120.289 119.914 -0.022 0.000 2.392 332 V HA -0.153 3.968 4.120 0.001 0.000 0.249 332 V C 0.014 176.084 176.094 -0.041 0.000 1.059 332 V CA 2.413 64.697 62.300 -0.028 0.000 1.051 332 V CB -2.145 29.665 31.823 -0.022 0.000 0.658 332 V HN 0.516 nan 8.190 nan 0.000 0.455 333 P HA -0.069 nan 4.420 nan 0.000 0.217 333 P C 1.641 178.896 177.300 -0.076 0.000 1.151 333 P CA 1.128 64.196 63.100 -0.053 0.000 0.828 333 P CB 0.042 31.716 31.700 -0.044 0.000 0.788 334 E N -0.396 119.761 120.200 -0.072 0.000 2.033 334 E HA -0.181 4.170 4.350 0.001 0.000 0.199 334 E C 2.013 178.527 176.600 -0.143 0.000 1.011 334 E CA 1.271 57.609 56.400 -0.104 0.000 0.815 334 E CB -1.080 28.576 29.700 -0.073 0.000 0.755 334 E HN -0.001 nan 8.360 nan 0.000 0.451 335 V N 0.882 120.735 119.914 -0.102 0.000 2.469 335 V HA -0.213 3.908 4.120 0.001 0.000 0.251 335 V C 2.060 178.082 176.094 -0.119 0.000 1.064 335 V CA 1.508 63.747 62.300 -0.101 0.000 1.066 335 V CB -0.073 31.713 31.823 -0.061 0.000 0.667 335 V HN 0.112 nan 8.190 nan 0.000 0.461 336 V N 0.755 120.603 119.914 -0.110 0.000 2.453 336 V HA -0.192 3.929 4.120 0.001 0.000 0.247 336 V C 2.174 178.179 176.094 -0.149 0.000 1.048 336 V CA 2.396 64.636 62.300 -0.099 0.000 1.049 336 V CB -1.075 30.707 31.823 -0.069 0.000 0.672 336 V HN 0.637 nan 8.190 nan 0.000 0.457 337 N N -0.008 118.555 118.700 -0.228 0.000 2.166 337 N HA -0.201 4.540 4.740 0.001 0.000 0.186 337 N C 1.889 176.943 175.510 -0.759 0.000 1.019 337 N CA 1.322 54.125 53.050 -0.412 0.000 0.856 337 N CB -0.198 38.004 38.487 -0.475 0.000 0.993 337 N HN 0.569 nan 8.380 nan 0.000 0.426 338 Q N 0.299 119.761 119.800 -0.563 0.000 2.002 338 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 338 Q C 2.368 178.259 176.000 -0.182 0.000 0.988 338 Q CA 1.778 57.320 55.803 -0.435 0.000 0.843 338 Q CB -0.547 28.056 28.738 -0.226 0.000 0.908 338 Q HN 0.407 nan 8.270 nan 0.000 0.420 339 V N 0.221 120.071 119.914 -0.106 0.000 2.282 339 V HA -0.317 3.804 4.120 0.001 0.000 0.249 339 V C 2.145 178.258 176.094 0.032 0.000 1.057 339 V CA 2.214 64.503 62.300 -0.018 0.000 1.032 339 V CB -0.905 30.905 31.823 -0.023 0.000 0.645 339 V HN 0.541 nan 8.190 nan 0.000 0.447 340 C N 0.160 119.474 119.300 0.023 0.000 2.388 340 C HA -0.144 4.316 4.460 0.001 0.000 0.277 340 C C 2.412 177.560 174.990 0.264 0.000 1.210 340 C CA 1.667 60.759 59.018 0.123 0.000 1.743 340 C CB -1.784 26.050 27.740 0.157 0.000 2.047 340 C HN 0.672 nan 8.230 nan 0.000 0.458 341 F N 1.588 121.542 119.950 0.006 0.000 2.115 341 F HA -0.161 4.367 4.527 0.001 0.000 0.300 341 F C 2.301 178.116 175.800 0.025 0.000 1.092 341 F CA 1.962 59.970 58.000 0.013 0.000 1.245 341 F CB -1.305 37.703 39.000 0.014 0.000 0.995 341 F HN 0.216 nan 8.300 nan 0.000 0.481 342 K N 0.760 121.297 120.400 0.230 0.000 2.001 342 K HA -0.089 4.232 4.320 0.001 0.000 0.208 342 K C 2.058 178.742 176.600 0.139 0.000 1.048 342 K CA 1.331 57.710 56.287 0.153 0.000 0.932 342 K CB -0.813 31.755 32.500 0.113 0.000 0.715 342 K HN 0.050 nan 8.250 nan 0.000 0.437 343 V N 1.379 121.367 119.914 0.125 0.000 2.231 343 V HA -0.317 3.803 4.120 0.001 0.000 0.248 343 V C 2.329 178.479 176.094 0.093 0.000 1.054 343 V CA 2.325 64.687 62.300 0.104 0.000 1.015 343 V CB -0.465 31.388 31.823 0.049 0.000 0.638 343 V HN 0.335 nan 8.190 nan 0.000 0.444 344 I N 0.586 121.203 120.570 0.077 0.000 2.113 344 I HA -0.302 3.869 4.170 0.001 0.000 0.242 344 I C 2.585 178.744 176.117 0.069 0.000 1.057 344 I CA 2.109 63.438 61.300 0.047 0.000 1.314 344 I CB -1.049 36.970 38.000 0.032 0.000 1.022 344 I HN 0.470 nan 8.210 nan 0.000 0.408 345 G N 0.036 108.888 108.800 0.087 0.000 2.432 345 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 345 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 345 G C 1.340 176.304 174.900 0.108 0.000 1.135 345 G CA 0.972 46.122 45.100 0.083 0.000 0.767 345 G HN 0.497 nan 8.290 nan 0.000 0.550 346 N N 0.119 118.912 118.700 0.154 0.000 2.364 346 N HA -0.097 4.644 4.740 0.001 0.000 0.183 346 N C 1.692 177.330 175.510 0.213 0.000 1.022 346 N CA 0.745 53.897 53.050 0.171 0.000 0.883 346 N CB -0.086 38.538 38.487 0.229 0.000 0.965 346 N HN 0.318 nan 8.380 nan 0.000 0.438 347 D N 0.240 120.814 120.400 0.291 0.000 2.088 347 D HA -0.121 4.520 4.640 0.001 0.000 0.191 347 D C 1.564 177.940 176.300 0.128 0.000 0.992 347 D CA 1.347 55.507 54.000 0.267 0.000 0.831 347 D CB -0.081 40.804 40.800 0.141 0.000 0.973 347 D HN 0.004 nan 8.370 nan 0.000 0.447 348 T N -0.596 114.008 114.554 0.085 0.000 2.836 348 T HA -0.192 4.159 4.350 0.001 0.000 0.268 348 T C 1.729 176.453 174.700 0.040 0.000 1.080 348 T CA 1.709 63.840 62.100 0.051 0.000 1.128 348 T CB -0.503 68.389 68.868 0.040 0.000 0.839 348 T HN 0.242 nan 8.240 nan 0.000 0.507 349 T N 1.508 116.084 114.554 0.037 0.000 2.684 349 T HA -0.034 4.317 4.350 0.001 0.000 0.253 349 T C 2.241 176.935 174.700 -0.010 0.000 1.057 349 T CA 1.063 63.171 62.100 0.012 0.000 1.162 349 T CB -0.633 68.233 68.868 -0.002 0.000 0.868 349 T HN 0.179 nan 8.240 nan 0.000 0.409 350 V N 2.061 121.951 119.914 -0.041 0.000 2.313 350 V HA -0.264 3.856 4.120 0.001 0.000 0.253 350 V C 2.737 178.835 176.094 0.006 0.000 1.070 350 V CA 2.267 64.535 62.300 -0.053 0.000 1.057 350 V CB -1.555 30.208 31.823 -0.100 0.000 0.653 350 V HN 0.561 nan 8.190 nan 0.000 0.450 351 T N -0.256 114.316 114.554 0.030 0.000 2.622 351 T HA -0.212 4.139 4.350 0.001 0.000 0.266 351 T C 1.911 176.624 174.700 0.022 0.000 1.047 351 T CA 1.942 64.064 62.100 0.035 0.000 1.159 351 T CB -0.324 68.567 68.868 0.038 0.000 0.863 351 T HN 0.302 nan 8.240 nan 0.000 0.422 352 M N 0.844 120.453 119.600 0.016 0.000 2.144 352 M HA -0.147 4.334 4.480 0.001 0.000 0.260 352 M C 2.774 179.077 176.300 0.006 0.000 1.067 352 M CA 1.637 56.944 55.300 0.011 0.000 1.095 352 M CB -0.738 31.869 32.600 0.012 0.000 1.365 352 M HN 0.341 nan 8.290 nan 0.000 0.406 353 A N 0.216 123.035 122.820 -0.002 0.000 1.898 353 A HA -0.013 4.308 4.320 0.001 0.000 0.216 353 A C 2.384 179.971 177.584 0.004 0.000 1.181 353 A CA 1.932 53.962 52.037 -0.012 0.000 0.620 353 A CB -0.815 18.163 19.000 -0.037 0.000 0.819 353 A HN 0.499 nan 8.150 nan 0.000 0.442 354 A N -0.791 122.041 122.820 0.020 0.000 1.873 354 A HA -0.139 4.182 4.320 0.001 0.000 0.215 354 A C 2.035 179.632 177.584 0.020 0.000 1.186 354 A CA 1.737 53.794 52.037 0.033 0.000 0.616 354 A CB -0.495 18.532 19.000 0.046 0.000 0.823 354 A HN 0.417 nan 8.150 nan 0.000 0.442 355 E N 0.486 120.696 120.200 0.016 0.000 2.160 355 E HA -0.161 4.190 4.350 0.001 0.000 0.195 355 E C 2.021 178.626 176.600 0.009 0.000 0.991 355 E CA 1.144 57.551 56.400 0.012 0.000 0.810 355 E CB -0.384 29.323 29.700 0.011 0.000 0.742 355 E HN 0.487 nan 8.360 nan 0.000 0.466 356 A N 0.733 123.557 122.820 0.007 0.000 2.178 356 A HA 0.011 4.332 4.320 0.001 0.000 0.218 356 A C 1.478 179.064 177.584 0.003 0.000 1.157 356 A CA 0.869 52.908 52.037 0.003 0.000 0.689 356 A CB -0.843 18.155 19.000 -0.002 0.000 0.787 356 A HN 0.230 nan 8.150 nan 0.000 0.465 357 G N -0.366 108.438 108.800 0.007 0.000 2.225 357 G HA2 0.308 4.269 3.960 0.001 0.000 0.245 357 G HA3 0.308 4.269 3.960 0.001 0.000 0.245 357 G C -0.162 174.741 174.900 0.005 0.000 1.249 357 G CA -0.014 45.091 45.100 0.008 0.000 0.919 357 G HN 0.498 nan 8.290 nan 0.000 0.486 358 Q N 2.078 121.881 119.800 0.004 0.000 2.290 358 Q HA 0.495 4.836 4.340 0.001 0.000 0.269 358 Q C 0.642 176.645 176.000 0.005 0.000 1.016 358 Q CA -0.713 55.092 55.803 0.004 0.000 0.754 358 Q CB 1.282 30.022 28.738 0.003 0.000 1.247 358 Q HN 0.659 nan 8.270 nan 0.000 0.451 359 L N 0.774 122.000 121.223 0.006 0.000 6.079 359 L HA -0.430 3.911 4.340 0.001 0.000 0.053 359 L C 0.592 177.467 176.870 0.008 0.000 2.483 359 L CA 1.208 56.052 54.840 0.006 0.000 1.581 359 L CB -0.935 41.128 42.059 0.006 0.000 2.843 359 L HN 0.678 nan 8.230 nan 0.000 1.020 360 Q N 0.391 120.197 119.800 0.009 0.000 2.322 360 Q HA 0.412 4.753 4.340 0.001 0.000 0.203 360 Q C -0.430 175.578 176.000 0.014 0.000 0.923 360 Q CA 0.502 56.312 55.803 0.012 0.000 0.949 360 Q CB 0.490 29.235 28.738 0.013 0.000 1.039 360 Q HN 0.317 nan 8.270 nan 0.000 0.496 361 L N 0.855 122.085 121.223 0.012 0.000 2.592 361 L HA 0.371 4.712 4.340 0.001 0.000 0.258 361 L C -1.715 175.160 176.870 0.008 0.000 0.926 361 L CA -0.261 54.587 54.840 0.013 0.000 0.885 361 L CB 2.333 44.397 42.059 0.009 0.000 1.380 361 L HN 0.055 nan 8.230 nan 0.000 0.415 362 N N 2.561 121.268 118.700 0.012 0.000 2.707 362 N HA 0.366 5.107 4.740 0.001 0.000 0.235 362 N C 0.982 176.485 175.510 -0.012 0.000 1.028 362 N CA -0.348 52.706 53.050 0.007 0.000 0.906 362 N CB 1.044 39.546 38.487 0.024 0.000 1.131 362 N HN 0.406 nan 8.380 nan 0.000 0.509 363 V N 1.251 121.145 119.914 -0.033 0.000 2.490 363 V HA -0.125 3.996 4.120 0.001 0.000 0.250 363 V C 1.657 177.691 176.094 -0.102 0.000 1.061 363 V CA 1.081 63.338 62.300 -0.072 0.000 1.064 363 V CB -0.665 31.120 31.823 -0.064 0.000 0.670 363 V HN 0.593 nan 8.190 nan 0.000 0.461 364 M N 0.724 120.280 119.600 -0.073 0.000 2.818 364 M HA 0.022 4.503 4.480 0.001 0.000 0.226 364 M C 1.589 177.816 176.300 -0.121 0.000 1.050 364 M CA 0.523 55.770 55.300 -0.088 0.000 1.059 364 M CB -1.832 30.736 32.600 -0.053 0.000 1.634 364 M HN 0.592 nan 8.290 nan 0.000 0.545 365 E N 1.333 121.451 120.200 -0.138 0.000 2.077 365 E HA -0.144 4.207 4.350 0.001 0.000 0.193 365 E C -0.598 175.818 176.600 -0.308 0.000 0.989 365 E CA 1.096 57.382 56.400 -0.190 0.000 0.800 365 E CB -0.883 28.759 29.700 -0.096 0.000 0.746 365 E HN 0.446 nan 8.360 nan 0.000 0.452 366 P HA -0.132 nan 4.420 nan 0.000 0.220 366 P C 1.623 178.777 177.300 -0.243 0.000 1.148 366 P CA 0.922 63.911 63.100 -0.184 0.000 0.803 366 P CB 0.107 31.705 31.700 -0.170 0.000 0.782 367 V N -0.064 119.707 119.914 -0.238 0.000 2.548 367 V HA -0.131 3.989 4.120 0.001 0.000 0.249 367 V C 2.415 178.359 176.094 -0.251 0.000 1.055 367 V CA 1.102 63.264 62.300 -0.231 0.000 1.065 367 V CB -0.842 30.896 31.823 -0.143 0.000 0.681 367 V HN -0.066 nan 8.190 nan 0.000 0.462 368 I N 0.174 120.566 120.570 -0.297 0.000 2.546 368 I HA -0.050 4.121 4.170 0.001 0.000 0.255 368 I C 2.417 178.232 176.117 -0.504 0.000 1.163 368 I CA 1.164 62.253 61.300 -0.351 0.000 1.457 368 I CB -0.792 37.005 38.000 -0.337 0.000 1.092 368 I HN 0.421 nan 8.210 nan 0.000 0.434 369 G N 1.357 109.763 108.800 -0.655 0.000 2.464 369 G HA2 -0.314 3.647 3.960 0.001 0.000 0.214 369 G HA3 -0.314 3.647 3.960 0.001 0.000 0.214 369 G C 1.501 176.335 174.900 -0.109 0.000 1.218 369 G CA 1.017 45.691 45.100 -0.711 0.000 0.794 369 G HN 0.494 nan 8.290 nan 0.000 0.542 370 Q N 0.482 120.265 119.800 -0.028 0.000 2.224 370 Q HA 0.332 4.673 4.340 0.001 0.000 0.203 370 Q C 2.364 178.366 176.000 0.003 0.000 0.970 370 Q CA 1.892 57.733 55.803 0.063 0.000 0.865 370 Q CB -0.425 28.252 28.738 -0.101 0.000 0.922 370 Q HN 0.361 nan 8.270 nan 0.000 0.445 371 A N 0.703 123.451 122.820 -0.119 0.000 1.855 371 A HA -0.101 4.220 4.320 0.001 0.000 0.215 371 A C 2.134 179.620 177.584 -0.164 0.000 1.191 371 A CA 1.626 53.581 52.037 -0.137 0.000 0.613 371 A CB -0.685 18.182 19.000 -0.222 0.000 0.829 371 A HN 0.498 nan 8.150 nan 0.000 0.442 372 M N -1.153 118.287 119.600 -0.268 0.000 2.084 372 M HA -0.099 4.382 4.480 0.001 0.000 0.259 372 M C 1.773 178.054 176.300 -0.031 0.000 1.072 372 M CA 1.887 57.050 55.300 -0.227 0.000 1.107 372 M CB -0.756 31.712 32.600 -0.221 0.000 1.299 372 M HN 0.300 nan 8.290 nan 0.000 0.413 373 F N 0.755 120.744 119.950 0.065 0.000 2.115 373 F HA -0.257 4.271 4.527 0.001 0.000 0.300 373 F C 2.471 178.324 175.800 0.089 0.000 1.092 373 F CA 2.145 60.183 58.000 0.063 0.000 1.245 373 F CB -1.271 37.759 39.000 0.050 0.000 0.995 373 F HN 0.387 nan 8.300 nan 0.000 0.481 374 E N -0.073 120.284 120.200 0.261 0.000 2.048 374 E HA -0.244 4.107 4.350 0.001 0.000 0.202 374 E C 2.410 179.153 176.600 0.239 0.000 1.021 374 E CA 2.029 58.562 56.400 0.221 0.000 0.825 374 E CB -0.241 29.550 29.700 0.152 0.000 0.756 374 E HN 0.266 nan 8.360 nan 0.000 0.454 375 S N -0.350 115.482 115.700 0.221 0.000 2.370 375 S HA -0.168 4.302 4.470 0.001 0.000 0.226 375 S C 2.030 176.718 174.600 0.147 0.000 1.033 375 S CA 1.214 59.529 58.200 0.193 0.000 1.011 375 S CB -0.242 63.113 63.200 0.258 0.000 0.852 375 S HN 0.159 nan 8.310 nan 0.000 0.457 376 V N 1.663 121.678 119.914 0.167 0.000 2.287 376 V HA -0.243 3.877 4.120 0.001 0.000 0.248 376 V C 2.249 178.440 176.094 0.162 0.000 1.053 376 V CA 2.094 64.473 62.300 0.131 0.000 1.027 376 V CB -0.828 31.082 31.823 0.146 0.000 0.646 376 V HN 0.642 nan 8.190 nan 0.000 0.447 377 H N 0.765 119.903 119.070 0.113 0.000 2.253 377 H HA -0.186 4.371 4.556 0.001 0.000 0.296 377 H C 2.409 177.782 175.328 0.076 0.000 1.074 377 H CA 2.721 58.826 56.048 0.096 0.000 1.263 377 H CB -0.046 29.777 29.762 0.102 0.000 1.363 377 H HN 0.503 nan 8.280 nan 0.000 0.489 378 I N -0.628 119.933 120.570 -0.014 0.000 2.286 378 I HA -0.232 3.939 4.170 0.001 0.000 0.248 378 I C 2.442 178.523 176.117 -0.061 0.000 1.115 378 I CA 1.142 62.388 61.300 -0.090 0.000 1.392 378 I CB -0.710 37.302 38.000 0.020 0.000 1.065 378 I HN 0.179 nan 8.210 nan 0.000 0.418 379 L N 1.165 122.379 121.223 -0.015 0.000 1.989 379 L HA -0.187 4.154 4.340 0.001 0.000 0.211 379 L C 2.880 179.717 176.870 -0.054 0.000 1.071 379 L CA 2.302 57.126 54.840 -0.027 0.000 0.749 379 L CB -1.168 40.881 42.059 -0.017 0.000 0.890 379 L HN 0.320 nan 8.230 nan 0.000 0.431 380 T N -0.078 114.449 114.554 -0.046 0.000 2.624 380 T HA -0.210 4.141 4.350 0.001 0.000 0.268 380 T C 1.624 176.307 174.700 -0.027 0.000 1.041 380 T CA 1.983 64.050 62.100 -0.056 0.000 1.159 380 T CB -0.397 68.490 68.868 0.031 0.000 0.863 380 T HN 0.320 nan 8.240 nan 0.000 0.434 381 N N 1.402 120.091 118.700 -0.018 0.000 2.331 381 N HA 0.101 4.842 4.740 0.001 0.000 0.180 381 N C 1.959 177.472 175.510 0.004 0.000 1.019 381 N CA 1.003 54.069 53.050 0.027 0.000 0.881 381 N CB -0.612 37.832 38.487 -0.071 0.000 0.972 381 N HN 0.462 nan 8.380 nan 0.000 0.435 382 A N 0.010 122.807 122.820 -0.039 0.000 1.969 382 A HA -0.099 4.222 4.320 0.001 0.000 0.218 382 A C 2.434 179.994 177.584 -0.041 0.000 1.169 382 A CA 0.951 52.965 52.037 -0.039 0.000 0.635 382 A CB -0.853 18.121 19.000 -0.043 0.000 0.810 382 A HN 0.398 nan 8.150 nan 0.000 0.445 383 C N -2.470 116.785 119.300 -0.074 0.000 2.518 383 C HA 0.017 4.478 4.460 0.001 0.000 0.279 383 C C 2.426 177.345 174.990 -0.119 0.000 1.279 383 C CA 0.768 59.710 59.018 -0.127 0.000 1.703 383 C CB -1.431 26.170 27.740 -0.232 0.000 2.072 383 C HN 0.710 nan 8.230 nan 0.000 0.487 384 Y N 1.629 121.912 120.300 -0.028 0.000 2.274 384 Y HA -0.148 4.403 4.550 0.001 0.000 0.290 384 Y C 2.207 178.083 175.900 -0.041 0.000 1.145 384 Y CA 1.755 59.836 58.100 -0.032 0.000 1.203 384 Y CB -0.983 37.460 38.460 -0.029 0.000 0.984 384 Y HN 0.426 nan 8.280 nan 0.000 0.533 385 N N -0.132 118.627 118.700 0.097 0.000 2.006 385 N HA -0.221 4.520 4.740 0.001 0.000 0.196 385 N C 1.810 177.321 175.510 0.003 0.000 1.057 385 N CA 1.408 54.479 53.050 0.035 0.000 0.853 385 N CB -0.528 37.963 38.487 0.006 0.000 1.051 385 N HN 0.174 nan 8.380 nan 0.000 0.423 386 L N 0.558 121.767 121.223 -0.023 0.000 2.021 386 L HA -0.156 4.185 4.340 0.001 0.000 0.215 386 L C 1.952 178.772 176.870 -0.083 0.000 1.074 386 L CA 1.465 56.272 54.840 -0.054 0.000 0.760 386 L CB -1.003 41.021 42.059 -0.059 0.000 0.889 386 L HN 0.393 nan 8.230 nan 0.000 0.433 387 L N -0.054 121.126 121.223 -0.073 0.000 1.921 387 L HA -0.239 4.102 4.340 0.001 0.000 0.219 387 L C 2.347 179.192 176.870 -0.041 0.000 1.081 387 L CA 2.307 57.097 54.840 -0.083 0.000 0.771 387 L CB -1.283 40.768 42.059 -0.014 0.000 0.888 387 L HN 0.456 nan 8.230 nan 0.000 0.433 388 E N -0.595 119.616 120.200 0.019 0.000 2.085 388 E HA -0.214 4.137 4.350 0.001 0.000 0.194 388 E C 2.061 178.657 176.600 -0.007 0.000 0.994 388 E CA 1.424 57.832 56.400 0.013 0.000 0.801 388 E CB -0.150 29.570 29.700 0.033 0.000 0.743 388 E HN 0.406 nan 8.360 nan 0.000 0.453 389 K N -0.153 120.242 120.400 -0.007 0.000 2.211 389 K HA 0.061 4.381 4.320 0.001 0.000 0.201 389 K C 1.860 178.450 176.600 -0.017 0.000 1.052 389 K CA 0.327 56.607 56.287 -0.011 0.000 0.973 389 K CB -0.077 32.418 32.500 -0.008 0.000 0.766 389 K HN 0.166 nan 8.250 nan 0.000 0.466 390 C N 0.618 119.900 119.300 -0.031 0.000 3.814 390 C HA 0.153 4.614 4.460 0.001 0.000 0.247 390 C C 2.583 177.553 174.990 -0.032 0.000 1.881 390 C CA -0.113 58.888 59.018 -0.029 0.000 1.457 390 C CB -0.867 26.851 27.740 -0.035 0.000 1.670 390 C HN 0.484 nan 8.230 nan 0.000 0.727 391 I N 1.653 122.170 120.570 -0.087 0.000 2.290 391 I HA -0.240 3.931 4.170 0.001 0.000 0.253 391 I C 1.487 177.571 176.117 -0.056 0.000 1.112 391 I CA 2.596 63.841 61.300 -0.093 0.000 1.377 391 I CB -0.942 36.837 38.000 -0.369 0.000 1.060 391 I HN 0.411 nan 8.210 nan 0.000 0.428 392 N N 1.415 120.074 118.700 -0.069 0.000 2.381 392 N HA -0.016 4.725 4.740 0.001 0.000 0.182 392 N C 1.694 177.188 175.510 -0.028 0.000 1.025 392 N CA 1.361 54.378 53.050 -0.054 0.000 0.888 392 N CB -0.147 38.312 38.487 -0.047 0.000 0.965 392 N HN 0.630 nan 8.380 nan 0.000 0.438 393 G N -0.725 108.073 108.800 -0.003 0.000 3.159 393 G HA2 0.229 4.189 3.960 0.001 0.000 0.232 393 G HA3 0.229 4.189 3.960 0.001 0.000 0.232 393 G C 0.308 175.239 174.900 0.052 0.000 1.116 393 G CA -0.329 44.781 45.100 0.015 0.000 0.767 393 G HN 0.111 nan 8.290 nan 0.000 0.547 394 I N 2.383 123.004 120.570 0.084 0.000 2.754 394 I HA 0.315 4.486 4.170 0.001 0.000 0.285 394 I C 0.315 176.576 176.117 0.240 0.000 1.166 394 I CA 0.260 61.645 61.300 0.141 0.000 1.417 394 I CB 1.053 39.175 38.000 0.203 0.000 1.382 394 I HN 0.065 nan 8.210 nan 0.000 0.588 395 T N 2.096 116.767 114.554 0.195 0.000 3.105 395 T HA 0.676 5.027 4.350 0.001 0.000 0.321 395 T C -0.451 174.205 174.700 -0.074 0.000 1.135 395 T CA -0.939 61.326 62.100 0.275 0.000 1.053 395 T CB 1.488 70.471 68.868 0.190 0.000 1.133 395 T HN 0.737 nan 8.240 nan 0.000 0.463 396 A N 2.625 125.181 122.820 -0.441 0.000 2.327 396 A HA 0.596 4.917 4.320 0.001 0.000 0.255 396 A C 0.474 177.969 177.584 -0.148 0.000 1.099 396 A CA -0.759 51.023 52.037 -0.424 0.000 0.801 396 A CB 0.064 18.661 19.000 -0.672 0.000 1.062 396 A HN 0.859 nan 8.150 nan 0.000 0.496 397 N N 0.550 119.177 118.700 -0.122 0.000 3.012 397 N HA 0.087 4.828 4.740 0.001 0.000 0.270 397 N C 0.730 176.190 175.510 -0.082 0.000 1.469 397 N CA -0.221 52.784 53.050 -0.076 0.000 0.928 397 N CB 1.286 39.731 38.487 -0.070 0.000 1.219 397 N HN 0.804 nan 8.380 nan 0.000 0.492 398 K N 1.454 121.820 120.400 -0.057 0.000 2.081 398 K HA -0.299 4.021 4.320 0.001 0.000 0.222 398 K C 0.960 177.536 176.600 -0.040 0.000 1.055 398 K CA 1.801 58.070 56.287 -0.030 0.000 0.954 398 K CB 0.279 32.783 32.500 0.006 0.000 0.732 398 K HN 0.253 nan 8.250 nan 0.000 0.458 399 E N 0.275 120.446 120.200 -0.048 0.000 2.037 399 E HA -0.239 4.112 4.350 0.001 0.000 0.214 399 E C 2.184 178.712 176.600 -0.120 0.000 1.041 399 E CA 1.990 58.352 56.400 -0.063 0.000 0.872 399 E CB -1.077 28.585 29.700 -0.063 0.000 0.785 399 E HN 0.505 nan 8.360 nan 0.000 0.476 400 V N -0.461 119.337 119.914 -0.193 0.000 2.568 400 V HA -0.241 3.880 4.120 0.001 0.000 0.253 400 V C 2.498 178.234 176.094 -0.597 0.000 1.072 400 V CA 1.749 63.812 62.300 -0.396 0.000 1.084 400 V CB -1.214 30.364 31.823 -0.408 0.000 0.676 400 V HN 0.167 nan 8.190 nan 0.000 0.469 401 C N 0.391 119.520 119.300 -0.286 0.000 2.541 401 C HA -0.026 4.434 4.460 0.001 0.000 0.282 401 C C 2.903 177.894 174.990 0.001 0.000 1.263 401 C CA 1.075 60.031 59.018 -0.104 0.000 1.709 401 C CB -0.837 26.894 27.740 -0.016 0.000 2.097 401 C HN 0.624 nan 8.230 nan 0.000 0.480 402 E N 0.666 120.881 120.200 0.025 0.000 2.097 402 E HA -0.155 4.196 4.350 0.001 0.000 0.196 402 E C 2.250 178.966 176.600 0.192 0.000 1.000 402 E CA 1.710 58.188 56.400 0.130 0.000 0.804 402 E CB -0.812 28.995 29.700 0.178 0.000 0.740 402 E HN 0.728 nan 8.360 nan 0.000 0.454 403 G N -0.279 108.568 108.800 0.078 0.000 2.625 403 G HA2 -0.210 3.751 3.960 0.001 0.000 0.214 403 G HA3 -0.210 3.751 3.960 0.001 0.000 0.214 403 G C 1.115 176.073 174.900 0.097 0.000 1.132 403 G CA 0.204 45.347 45.100 0.073 0.000 0.782 403 G HN 0.166 nan 8.290 nan 0.000 0.538 404 Y N 0.129 120.452 120.300 0.038 0.000 2.243 404 Y HA 0.063 4.614 4.550 0.001 0.000 0.293 404 Y C 2.829 178.716 175.900 -0.021 0.000 1.124 404 Y CA -0.230 57.874 58.100 0.007 0.000 1.159 404 Y CB -0.527 37.933 38.460 -0.001 0.000 1.008 404 Y HN 0.061 nan 8.280 nan 0.000 0.527 405 V N -1.151 118.833 119.914 0.116 0.000 2.307 405 V HA -0.303 3.818 4.120 0.001 0.000 0.245 405 V C 1.688 177.677 176.094 -0.175 0.000 1.045 405 V CA 1.795 64.047 62.300 -0.079 0.000 1.024 405 V CB -0.779 30.909 31.823 -0.225 0.000 0.651 405 V HN 0.335 nan 8.190 nan 0.000 0.449 406 Y N -0.455 119.825 120.300 -0.035 0.000 2.616 406 Y HA 0.019 4.570 4.550 0.001 0.000 0.296 406 Y C 2.125 177.949 175.900 -0.126 0.000 1.154 406 Y CA 0.869 58.879 58.100 -0.150 0.000 1.325 406 Y CB -0.229 38.130 38.460 -0.167 0.000 1.007 406 Y HN 0.275 nan 8.280 nan 0.000 0.542 407 N N -0.032 118.711 118.700 0.073 0.000 2.184 407 N HA 0.012 4.753 4.740 0.001 0.000 0.206 407 N C 0.229 175.754 175.510 0.025 0.000 1.151 407 N CA 0.150 53.230 53.050 0.049 0.000 0.878 407 N CB 0.393 38.928 38.487 0.080 0.000 1.014 407 N HN 0.259 nan 8.380 nan 0.000 0.512 408 S N -0.120 115.582 115.700 0.004 0.000 2.655 408 S HA 0.293 4.763 4.470 0.001 0.000 0.265 408 S C 1.234 175.817 174.600 -0.027 0.000 1.240 408 S CA -0.556 57.636 58.200 -0.014 0.000 0.986 408 S CB 0.732 63.917 63.200 -0.025 0.000 0.985 408 S HN 0.149 nan 8.310 nan 0.000 0.562 409 I N 0.320 120.872 120.570 -0.031 0.000 3.968 409 I HA 0.243 4.413 4.170 0.001 0.000 0.328 409 I C 2.214 178.296 176.117 -0.057 0.000 1.290 409 I CA 0.118 61.399 61.300 -0.032 0.000 1.163 409 I CB -0.700 37.286 38.000 -0.023 0.000 1.024 409 I HN 0.837 nan 8.210 nan 0.000 0.413 410 G N 2.649 111.404 108.800 -0.074 0.000 2.448 410 G HA2 -0.137 3.824 3.960 0.001 0.000 0.218 410 G HA3 -0.137 3.824 3.960 0.001 0.000 0.218 410 G C 1.585 176.342 174.900 -0.237 0.000 1.135 410 G CA 0.372 45.395 45.100 -0.128 0.000 0.784 410 G HN 0.583 nan 8.290 nan 0.000 0.543 411 I N -0.827 119.658 120.570 -0.141 0.000 3.241 411 I HA 0.091 4.262 4.170 0.001 0.000 0.280 411 I C 2.079 178.197 176.117 0.003 0.000 1.320 411 I CA 0.095 61.349 61.300 -0.077 0.000 1.413 411 I CB -0.166 37.906 38.000 0.120 0.000 1.060 411 I HN -0.022 nan 8.210 nan 0.000 0.500 412 V N 1.576 121.452 119.914 -0.063 0.000 2.809 412 V HA -0.188 3.932 4.120 0.001 0.000 0.256 412 V C 2.385 178.421 176.094 -0.097 0.000 1.080 412 V CA 2.436 64.735 62.300 -0.001 0.000 1.102 412 V CB -0.513 31.304 31.823 -0.009 0.000 0.705 412 V HN 0.583 nan 8.190 nan 0.000 0.475 413 T N 0.320 114.704 114.554 -0.284 0.000 2.737 413 T HA -0.210 4.141 4.350 0.001 0.000 0.269 413 T C 1.533 176.096 174.700 -0.227 0.000 1.040 413 T CA 2.179 64.071 62.100 -0.346 0.000 1.142 413 T CB -0.417 68.145 68.868 -0.511 0.000 0.861 413 T HN 0.645 nan 8.240 nan 0.000 0.456 414 Y N 0.311 120.644 120.300 0.055 0.000 2.616 414 Y HA 0.294 4.845 4.550 0.001 0.000 0.296 414 Y C 1.854 177.791 175.900 0.062 0.000 1.154 414 Y CA -0.607 57.517 58.100 0.040 0.000 1.325 414 Y CB -0.651 37.821 38.460 0.020 0.000 1.007 414 Y HN 0.210 nan 8.280 nan 0.000 0.542 415 L N -1.134 120.183 121.223 0.156 0.000 2.425 415 L HA 0.009 4.350 4.340 0.001 0.000 0.215 415 L C 1.627 178.595 176.870 0.163 0.000 1.065 415 L CA 0.338 55.292 54.840 0.189 0.000 0.842 415 L CB -0.158 41.995 42.059 0.158 0.000 1.033 415 L HN 0.121 nan 8.230 nan 0.000 0.474 416 N N 0.621 119.327 118.700 0.009 0.000 2.122 416 N HA -0.259 4.482 4.740 0.001 0.000 0.199 416 N C -1.268 174.222 175.510 -0.034 0.000 1.007 416 N CA 1.866 54.846 53.050 -0.118 0.000 0.892 416 N CB -0.852 37.338 38.487 -0.496 0.000 1.050 416 N HN 0.248 nan 8.380 nan 0.000 0.468 417 P HA -0.071 nan 4.420 nan 0.000 0.230 417 P C 0.256 177.309 177.300 -0.411 0.000 1.158 417 P CA 1.016 63.988 63.100 -0.213 0.000 0.769 417 P CB 0.099 31.591 31.700 -0.347 0.000 0.807 418 F N -1.496 118.473 119.950 0.031 0.000 2.694 418 F HA 0.257 4.783 4.527 -0.000 0.000 0.292 418 F C 1.752 177.572 175.800 0.033 0.000 1.121 418 F CA 0.192 58.207 58.000 0.024 0.000 1.352 418 F CB -0.049 38.953 39.000 0.004 0.000 1.107 418 F HN -0.168 nan 8.300 nan 0.000 0.597 419 I N -2.874 117.811 120.570 0.191 0.000 4.147 419 I HA 0.611 4.782 4.170 0.001 0.000 0.329 419 I C 0.525 176.710 176.117 0.114 0.000 1.424 419 I CA -0.042 61.343 61.300 0.140 0.000 1.127 419 I CB 0.231 38.309 38.000 0.131 0.000 1.128 419 I HN 0.051 nan 8.210 nan 0.000 0.417 420 G N 2.122 110.992 108.800 0.117 0.000 3.153 420 G HA2 -0.197 3.764 3.960 0.001 0.000 0.686 420 G HA3 -0.197 3.764 3.960 0.001 0.000 0.686 420 G C 0.194 175.199 174.900 0.174 0.000 0.995 420 G CA 0.106 45.286 45.100 0.133 0.000 0.783 420 G HN 0.560 nan 8.290 nan 0.000 0.551 421 H N 1.401 120.449 119.070 -0.036 0.000 2.267 421 H HA -0.238 4.319 4.556 0.001 0.000 0.291 421 H C 2.150 177.497 175.328 0.031 0.000 1.094 421 H CA 2.280 58.304 56.048 -0.040 0.000 1.227 421 H CB 0.065 29.756 29.762 -0.118 0.000 1.351 421 H HN 0.845 nan 8.280 nan 0.000 0.483 422 H N 0.040 119.193 119.070 0.138 0.000 2.460 422 H HA -0.117 4.440 4.556 0.001 0.000 0.297 422 H C 2.073 177.433 175.328 0.054 0.000 1.103 422 H CA 0.617 56.708 56.048 0.072 0.000 1.292 422 H CB 0.254 30.044 29.762 0.047 0.000 1.376 422 H HN 0.360 nan 8.280 nan 0.000 0.531 423 N N -0.231 118.579 118.700 0.182 0.000 2.290 423 N HA -0.067 4.674 4.740 0.001 0.000 0.179 423 N C 2.221 177.784 175.510 0.089 0.000 1.016 423 N CA 0.827 53.944 53.050 0.113 0.000 0.871 423 N CB -0.314 38.232 38.487 0.099 0.000 0.987 423 N HN 0.374 nan 8.380 nan 0.000 0.431 424 G N 1.529 110.380 108.800 0.086 0.000 2.476 424 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 424 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 424 G C 1.095 176.021 174.900 0.044 0.000 1.164 424 G CA 1.234 46.363 45.100 0.049 0.000 0.768 424 G HN 0.254 nan 8.290 nan 0.000 0.560 425 D N 0.162 120.601 120.400 0.065 0.000 2.084 425 D HA -0.099 4.542 4.640 0.001 0.000 0.194 425 D C 2.224 178.550 176.300 0.043 0.000 0.990 425 D CA 0.543 54.576 54.000 0.056 0.000 0.826 425 D CB -0.246 40.609 40.800 0.092 0.000 0.971 425 D HN 0.245 nan 8.370 nan 0.000 0.453 426 I N 0.134 120.733 120.570 0.049 0.000 2.454 426 I HA -0.173 3.997 4.170 0.001 0.000 0.254 426 I C 1.833 177.969 176.117 0.031 0.000 1.156 426 I CA 0.811 62.130 61.300 0.031 0.000 1.433 426 I CB 0.101 38.118 38.000 0.028 0.000 1.082 426 I HN -0.107 nan 8.210 nan 0.000 0.432 427 V N -0.001 119.936 119.914 0.039 0.000 2.591 427 V HA -0.065 4.056 4.120 0.001 0.000 0.249 427 V C 2.381 178.491 176.094 0.027 0.000 1.053 427 V CA 1.629 63.951 62.300 0.037 0.000 1.068 427 V CB -1.037 30.817 31.823 0.050 0.000 0.689 427 V HN 0.545 nan 8.190 nan 0.000 0.462 428 G N -0.138 108.674 108.800 0.020 0.000 2.430 428 G HA2 -0.109 3.851 3.960 0.001 0.000 0.216 428 G HA3 -0.109 3.851 3.960 0.001 0.000 0.216 428 G C 1.617 176.521 174.900 0.007 0.000 1.146 428 G CA 0.216 45.321 45.100 0.009 0.000 0.793 428 G HN 0.382 nan 8.290 nan 0.000 0.537 429 K N 0.687 121.093 120.400 0.010 0.000 2.044 429 K HA 0.151 4.472 4.320 0.001 0.000 0.204 429 K C 2.344 178.948 176.600 0.007 0.000 1.049 429 K CA 0.367 56.658 56.287 0.007 0.000 0.945 429 K CB -0.693 31.811 32.500 0.007 0.000 0.724 429 K HN 0.352 nan 8.250 nan 0.000 0.440 430 I N 1.165 121.741 120.570 0.010 0.000 2.127 430 I HA -0.364 3.807 4.170 0.001 0.000 0.241 430 I C 2.392 178.514 176.117 0.010 0.000 1.075 430 I CA 1.180 62.486 61.300 0.011 0.000 1.334 430 I CB -0.421 37.588 38.000 0.015 0.000 1.040 430 I HN 0.092 nan 8.210 nan 0.000 0.405 431 C N 0.754 120.060 119.300 0.011 0.000 2.403 431 C HA -0.142 4.319 4.460 0.001 0.000 0.277 431 C C 2.521 177.515 174.990 0.005 0.000 1.248 431 C CA 0.997 60.020 59.018 0.009 0.000 1.762 431 C CB -1.306 26.439 27.740 0.008 0.000 2.014 431 C HN 0.589 nan 8.230 nan 0.000 0.486 432 A N -0.912 121.910 122.820 0.004 0.000 2.476 432 A HA 0.184 4.504 4.320 0.001 0.000 0.263 432 A C 1.610 179.195 177.584 0.002 0.000 1.342 432 A CA 0.509 52.546 52.037 0.001 0.000 0.926 432 A CB -0.249 18.750 19.000 -0.001 0.000 1.019 432 A HN 0.608 nan 8.150 nan 0.000 0.515 433 E N -1.649 118.554 120.200 0.004 0.000 3.454 433 E HA -0.045 4.306 4.350 0.001 0.000 0.208 433 E C 1.898 178.501 176.600 0.005 0.000 1.153 433 E CA 1.421 57.823 56.400 0.004 0.000 1.553 433 E CB -0.174 29.528 29.700 0.004 0.000 1.423 433 E HN 0.575 nan 8.360 nan 0.000 0.662 434 T N -1.872 112.686 114.554 0.006 0.000 3.055 434 T HA 0.145 4.496 4.350 0.001 0.000 0.265 434 T C 1.526 176.230 174.700 0.006 0.000 1.111 434 T CA 1.351 63.455 62.100 0.006 0.000 1.118 434 T CB 0.309 69.182 68.868 0.007 0.000 0.909 434 T HN 0.338 nan 8.240 nan 0.000 0.501 435 G N 1.300 110.104 108.800 0.007 0.000 2.195 435 G HA2 -0.245 3.716 3.960 0.001 0.000 0.246 435 G HA3 -0.245 3.716 3.960 0.001 0.000 0.246 435 G C 0.246 175.151 174.900 0.009 0.000 0.984 435 G CA 0.293 45.398 45.100 0.008 0.000 0.633 435 G HN 0.666 nan 8.290 nan 0.000 0.525 436 K N 0.468 120.873 120.400 0.008 0.000 2.462 436 K HA 0.577 4.898 4.320 0.001 0.000 0.257 436 K C 0.961 177.565 176.600 0.008 0.000 1.062 436 K CA 0.371 56.662 56.287 0.008 0.000 0.923 436 K CB 0.337 32.842 32.500 0.008 0.000 1.210 436 K HN 0.537 nan 8.250 nan 0.000 0.502 437 S N -1.404 114.300 115.700 0.006 0.000 2.600 437 S HA 0.173 4.643 4.470 0.001 0.000 0.300 437 S C 1.003 175.607 174.600 0.007 0.000 1.087 437 S CA -0.961 57.239 58.200 0.001 0.000 0.965 437 S CB 1.631 64.827 63.200 -0.007 0.000 1.089 437 S HN 0.245 nan 8.310 nan 0.000 0.496 438 V N 2.128 122.044 119.914 0.004 0.000 2.568 438 V HA -0.124 3.997 4.120 0.001 0.000 0.253 438 V C 2.828 178.954 176.094 0.053 0.000 1.072 438 V CA 2.008 64.328 62.300 0.033 0.000 1.084 438 V CB -1.020 30.829 31.823 0.042 0.000 0.676 438 V HN 0.901 nan 8.190 nan 0.000 0.469 439 R N -0.174 120.333 120.500 0.011 0.000 2.189 439 R HA -0.106 4.235 4.340 0.001 0.000 0.218 439 R C 1.963 178.285 176.300 0.036 0.000 1.074 439 R CA 1.304 57.422 56.100 0.030 0.000 0.991 439 R CB 0.184 30.461 30.300 -0.038 0.000 0.883 439 R HN 0.696 nan 8.270 nan 0.000 0.457 440 E N -0.996 119.218 120.200 0.023 0.000 2.206 440 E HA -0.012 4.339 4.350 0.001 0.000 0.195 440 E C 1.960 178.577 176.600 0.028 0.000 0.935 440 E CA 0.314 56.727 56.400 0.021 0.000 0.875 440 E CB 0.079 29.785 29.700 0.011 0.000 0.841 440 E HN -0.039 nan 8.360 nan 0.000 0.477 441 V N 1.611 121.543 119.914 0.030 0.000 2.252 441 V HA -0.274 3.847 4.120 0.001 0.000 0.249 441 V C 2.371 178.490 176.094 0.041 0.000 1.056 441 V CA 1.582 63.901 62.300 0.032 0.000 1.022 441 V CB -0.521 31.321 31.823 0.032 0.000 0.641 441 V HN 0.123 nan 8.190 nan 0.000 0.445 442 V N -0.657 119.291 119.914 0.057 0.000 2.282 442 V HA -0.279 3.841 4.120 0.001 0.000 0.249 442 V C 2.348 178.475 176.094 0.055 0.000 1.057 442 V CA 2.203 64.544 62.300 0.068 0.000 1.032 442 V CB -0.544 31.339 31.823 0.100 0.000 0.645 442 V HN 0.439 nan 8.190 nan 0.000 0.447 443 L N 0.257 121.510 121.223 0.050 0.000 2.275 443 L HA -0.120 4.220 4.340 0.001 0.000 0.215 443 L C 2.387 179.274 176.870 0.028 0.000 1.119 443 L CA 1.960 56.823 54.840 0.038 0.000 0.790 443 L CB -0.526 41.553 42.059 0.033 0.000 0.919 443 L HN 0.665 nan 8.230 nan 0.000 0.443 444 E N -2.686 117.530 120.200 0.027 0.000 2.415 444 E HA -0.006 4.345 4.350 0.001 0.000 0.197 444 E C 1.750 178.363 176.600 0.023 0.000 1.007 444 E CA -0.178 56.235 56.400 0.021 0.000 0.890 444 E CB 0.001 29.711 29.700 0.018 0.000 0.891 444 E HN 0.185 nan 8.360 nan 0.000 0.496 445 R N 0.624 121.141 120.500 0.028 0.000 2.210 445 R HA 0.096 4.437 4.340 0.001 0.000 0.203 445 R C 1.072 177.390 176.300 0.030 0.000 1.010 445 R CA 0.955 57.072 56.100 0.029 0.000 1.008 445 R CB 0.238 30.559 30.300 0.035 0.000 0.923 445 R HN 0.409 nan 8.270 nan 0.000 0.469 446 G N 1.192 110.011 108.800 0.031 0.000 2.171 446 G HA2 -0.215 3.746 3.960 0.001 0.000 0.238 446 G HA3 -0.215 3.746 3.960 0.001 0.000 0.238 446 G C 0.457 175.379 174.900 0.036 0.000 1.039 446 G CA 0.057 45.175 45.100 0.030 0.000 0.759 446 G HN 0.200 nan 8.290 nan 0.000 0.501 447 L N -1.387 119.862 121.223 0.045 0.000 2.162 447 L HA 0.412 4.753 4.340 0.001 0.000 0.205 447 L C 1.516 178.418 176.870 0.053 0.000 1.086 447 L CA 1.424 56.297 54.840 0.054 0.000 0.778 447 L CB -0.219 41.880 42.059 0.066 0.000 0.928 447 L HN 0.383 nan 8.230 nan 0.000 0.446 448 L N -2.892 118.359 121.223 0.046 0.000 2.223 448 L HA 0.494 4.835 4.340 0.001 0.000 0.243 448 L C -0.256 176.627 176.870 0.022 0.000 1.105 448 L CA -0.392 54.466 54.840 0.031 0.000 0.943 448 L CB 1.126 43.201 42.059 0.026 0.000 1.542 448 L HN -0.240 nan 8.230 nan 0.000 0.437 449 T N -0.685 113.874 114.554 0.008 0.000 2.863 449 T HA 0.241 4.591 4.350 0.001 0.000 0.285 449 T C 0.851 175.555 174.700 0.007 0.000 1.009 449 T CA -0.449 61.655 62.100 0.006 0.000 0.989 449 T CB 2.383 71.250 68.868 -0.003 0.000 1.004 449 T HN 0.601 nan 8.240 nan 0.000 0.455 450 E N 2.021 122.229 120.200 0.013 0.000 2.065 450 E HA -0.257 4.094 4.350 0.001 0.000 0.201 450 E C 2.211 178.816 176.600 0.007 0.000 1.016 450 E CA 1.724 58.135 56.400 0.018 0.000 0.818 450 E CB -0.141 29.566 29.700 0.011 0.000 0.749 450 E HN 0.736 nan 8.360 nan 0.000 0.453 451 A N 1.084 123.900 122.820 -0.006 0.000 1.869 451 A HA -0.318 4.002 4.320 0.001 0.000 0.218 451 A C 1.970 179.533 177.584 -0.036 0.000 1.203 451 A CA 2.221 54.248 52.037 -0.017 0.000 0.638 451 A CB -0.873 18.115 19.000 -0.019 0.000 0.831 451 A HN 0.424 nan 8.150 nan 0.000 0.450 452 E N -0.894 119.276 120.200 -0.051 0.000 2.021 452 E HA -0.228 4.123 4.350 0.001 0.000 0.200 452 E C 1.994 178.524 176.600 -0.117 0.000 1.015 452 E CA 1.334 57.672 56.400 -0.103 0.000 0.824 452 E CB -0.404 29.234 29.700 -0.104 0.000 0.762 452 E HN 0.445 nan 8.360 nan 0.000 0.454 453 L N 2.129 123.320 121.223 -0.054 0.000 1.976 453 L HA -0.237 4.104 4.340 0.001 0.000 0.223 453 L C 1.305 178.207 176.870 0.055 0.000 1.081 453 L CA 2.369 57.215 54.840 0.011 0.000 0.784 453 L CB -0.661 41.459 42.059 0.101 0.000 0.896 453 L HN 0.216 nan 8.230 nan 0.000 0.438 454 D N -1.972 118.479 120.400 0.084 0.000 2.652 454 D HA -0.024 4.617 4.640 0.001 0.000 0.247 454 D C 0.158 176.482 176.300 0.040 0.000 1.232 454 D CA 0.258 54.328 54.000 0.117 0.000 0.863 454 D CB -0.607 40.236 40.800 0.072 0.000 1.023 454 D HN 0.356 nan 8.370 nan 0.000 0.474 455 D N -0.595 119.779 120.400 -0.043 0.000 2.538 455 D HA 0.286 4.927 4.640 0.001 0.000 0.231 455 D C -0.400 175.823 176.300 -0.129 0.000 1.229 455 D CA -0.302 53.650 54.000 -0.079 0.000 0.828 455 D CB 0.477 41.208 40.800 -0.116 0.000 1.035 455 D HN 0.268 nan 8.370 nan 0.000 0.495 456 I N -2.147 118.333 120.570 -0.149 0.000 3.452 456 I HA 0.327 4.498 4.170 0.001 0.000 0.319 456 I C -0.689 175.404 176.117 -0.041 0.000 1.262 456 I CA -0.629 60.528 61.300 -0.238 0.000 0.958 456 I CB 0.831 38.549 38.000 -0.469 0.000 1.311 456 I HN -0.071 nan 8.210 nan 0.000 0.463 457 F N -0.476 119.501 119.950 0.045 0.000 2.308 457 F HA -0.194 4.334 4.527 0.003 0.000 0.527 457 F C 1.172 176.921 175.800 -0.086 0.000 0.519 457 F CA 0.833 58.863 58.000 0.049 0.000 1.556 457 F CB -2.137 37.046 39.000 0.305 0.000 2.280 457 F HN 0.333 nan 8.300 nan 0.000 0.256 458 S N 0.789 116.565 115.700 0.127 0.000 3.811 458 S HA 0.498 4.969 4.470 0.001 0.000 0.205 458 S C 0.450 175.027 174.600 -0.038 0.000 1.445 458 S CA 0.235 58.470 58.200 0.060 0.000 1.097 458 S CB 0.033 63.298 63.200 0.108 0.000 1.350 458 S HN 0.840 nan 8.310 nan 0.000 0.471 459 V N 0.913 120.763 119.914 -0.107 0.000 3.786 459 V HA -0.228 3.893 4.120 0.001 0.000 0.539 459 V C -0.330 175.685 176.094 -0.132 0.000 0.682 459 V CA 1.669 63.895 62.300 -0.123 0.000 2.102 459 V CB -0.230 31.563 31.823 -0.050 0.000 2.498 459 V HN 1.250 nan 8.190 nan 0.000 0.520 460 Q N 0.000 119.729 119.800 -0.119 0.000 2.315 460 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 460 Q CA 0.000 55.753 55.803 -0.084 0.000 1.022 460 Q CB 0.000 28.674 28.738 -0.106 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481