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 2o54_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLFIAEKPS LARAIADVLP KPHRKGDGFI ECGNGQVVTW CIGHLLEQAQ DATA SEQUENCE PDAYDSRYAR WNLADLPIVP EKWQLQPRPS VTKQLNVIKR FLHEASEIVH DATA SEQUENCE AGDPDREGQL LVDEVLDYLQ LAPEKRQQVQ RCLINDLNPQ AVERAIDRLR DATA SEQUENCE SNSEFVPLCV SALARARADW LYGINMTRAY TILGRNAGYQ GVLSVGRVQT DATA SEQUENCE PVLGLVVRRD EEIENFVAKD FFEVKAHIVT PADERFTAIW QPSEACEPYQ DATA SEQUENCE DEEGRLLHRP LAEHVVNRIS GQPAIVTSYN DKRESESAPL PFSLSALQIE DATA SEQUENCE AAKRFGLSAQ NVLDICQKLY ETHKLITYPR SDCRYLPEEH FAGRHAVMNA DATA SEQUENCE ISVHAPDLLP QPVVDPDIRN RCWDDKKVDA HHAIIPTARS SAINLTENEA DATA SEQUENCE KVYNLIARQY LMQFCPDAVF RKCVIELDIA KGKFVAKARF LAEAGWRTLL DATA SEQUENCE GSKERDEEND GTPLPVVAKG DELLCEKGEV VERQTQPPRH FTDATLLSAM DATA SEQUENCE TGIARFVQDK DLKKILRATD GLGTEATRAG IIELLFKRGF LTKKGRYIHS DATA SEQUENCE TDAGKALFHS LPEMATRPDM TAHWESVLTQ ISEKQCRYQD FMQPLVGTLY DATA SEQUENCE QLIDQAKRTP VRQFRGIXXX XXXXXXXXXX XXXXXXXXXX XXXXXEVGSG DATA SEQUENCE AIAHHHHH 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 0.000 176.318 176.300 0.029 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.641 32.600 0.068 0.000 1.302 2 R N 3.059 123.578 120.500 0.032 0.000 2.346 2 R HA 0.714 5.053 4.340 -0.000 0.000 0.311 2 R C -1.754 174.539 176.300 -0.012 0.000 0.983 2 R CA -0.550 55.537 56.100 -0.021 0.000 0.880 2 R CB 1.327 31.607 30.300 -0.032 0.000 1.100 2 R HN 0.610 nan 8.270 nan 0.000 0.453 3 L N 5.071 126.236 121.223 -0.098 0.000 2.322 3 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 3 L C -1.634 175.136 176.870 -0.167 0.000 1.014 3 L CA -0.211 54.597 54.840 -0.054 0.000 0.815 3 L CB 1.281 43.321 42.059 -0.031 0.000 1.247 3 L HN 0.531 nan 8.230 nan 0.000 0.421 4 F N 5.562 125.493 119.950 -0.030 0.000 2.436 4 F HA 0.547 5.074 4.527 -0.000 0.000 0.340 4 F C 0.043 175.830 175.800 -0.021 0.000 1.113 4 F CA -0.399 57.593 58.000 -0.012 0.000 1.022 4 F CB 1.283 40.285 39.000 0.002 0.000 1.128 4 F HN 0.226 nan 8.300 nan 0.000 0.466 5 I N 3.708 124.351 120.570 0.121 0.000 2.354 5 I HA 0.564 4.734 4.170 -0.000 0.000 0.286 5 I C -0.163 175.999 176.117 0.075 0.000 1.007 5 I CA -0.665 60.669 61.300 0.057 0.000 1.167 5 I CB 1.119 39.091 38.000 -0.048 0.000 1.320 5 I HN 0.631 nan 8.210 nan 0.000 0.458 6 A N 4.146 127.050 122.820 0.139 0.000 2.294 6 A HA 0.405 4.725 4.320 -0.000 0.000 0.330 6 A C 1.030 178.672 177.584 0.097 0.000 1.133 6 A CA -0.448 51.661 52.037 0.120 0.000 0.836 6 A CB 1.193 20.272 19.000 0.130 0.000 1.190 6 A HN 0.785 nan 8.150 nan 0.000 0.492 7 E N 0.719 120.947 120.200 0.045 0.000 2.147 7 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 7 E C 0.459 177.089 176.600 0.049 0.000 1.005 7 E CA 2.276 58.689 56.400 0.022 0.000 0.810 7 E CB -0.149 29.559 29.700 0.014 0.000 0.736 7 E HN 0.638 nan 8.360 nan 0.000 0.460 8 K N -4.201 116.225 120.400 0.043 0.000 2.642 8 K HA 0.224 4.544 4.320 -0.000 0.000 0.290 8 K C -2.654 173.781 176.600 -0.276 0.000 1.006 8 K CA -1.344 54.921 56.287 -0.037 0.000 0.869 8 K CB 1.224 33.694 32.500 -0.050 0.000 1.499 8 K HN -0.374 nan 8.250 nan 0.000 0.403 9 P HA -0.273 nan 4.420 nan 0.000 0.216 9 P C 1.391 178.320 177.300 -0.618 0.000 1.154 9 P CA 2.249 64.659 63.100 -1.150 0.000 0.865 9 P CB 0.057 31.155 31.700 -1.004 0.000 0.789 10 S N -1.432 114.044 115.700 -0.375 0.000 2.428 10 S HA -0.096 4.374 4.470 -0.000 0.000 0.230 10 S C 1.841 176.304 174.600 -0.229 0.000 1.014 10 S CA 0.714 58.751 58.200 -0.273 0.000 0.957 10 S CB -1.389 61.690 63.200 -0.203 0.000 0.784 10 S HN -0.006 nan 8.310 nan 0.000 0.499 11 L N 1.544 122.658 121.223 -0.182 0.000 2.217 11 L HA 0.354 4.694 4.340 -0.000 0.000 0.211 11 L C 2.566 179.353 176.870 -0.137 0.000 1.107 11 L CA 1.210 55.974 54.840 -0.128 0.000 0.783 11 L CB -1.016 41.014 42.059 -0.049 0.000 0.919 11 L HN 0.371 nan 8.230 nan 0.000 0.442 12 A N -0.450 122.267 122.820 -0.172 0.000 1.872 12 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 12 A C 2.366 179.840 177.584 -0.183 0.000 1.187 12 A CA 1.306 53.275 52.037 -0.114 0.000 0.614 12 A CB -0.432 18.555 19.000 -0.023 0.000 0.826 12 A HN 0.417 nan 8.150 nan 0.000 0.442 13 R N -0.301 120.042 120.500 -0.262 0.000 2.105 13 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 13 R C 2.285 178.451 176.300 -0.224 0.000 1.135 13 R CA 1.301 57.254 56.100 -0.246 0.000 0.967 13 R CB -0.432 29.717 30.300 -0.251 0.000 0.861 13 R HN 0.511 nan 8.270 nan 0.000 0.442 14 A N 0.651 123.348 122.820 -0.203 0.000 2.016 14 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 14 A C 2.051 179.526 177.584 -0.181 0.000 1.162 14 A CA 0.799 52.728 52.037 -0.179 0.000 0.662 14 A CB -0.196 18.701 19.000 -0.171 0.000 0.812 14 A HN 0.158 nan 8.150 nan 0.000 0.450 15 I N -0.456 119.990 120.570 -0.207 0.000 2.333 15 I HA -0.175 3.995 4.170 -0.000 0.000 0.246 15 I C 2.924 178.846 176.117 -0.325 0.000 1.106 15 I CA 0.863 61.995 61.300 -0.279 0.000 1.411 15 I CB -0.259 37.531 38.000 -0.350 0.000 1.082 15 I HN 0.322 nan 8.210 nan 0.000 0.420 16 A N 0.577 123.210 122.820 -0.313 0.000 1.902 16 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 16 A C 1.910 179.216 177.584 -0.464 0.000 1.181 16 A CA 2.144 53.943 52.037 -0.396 0.000 0.623 16 A CB -0.710 18.042 19.000 -0.414 0.000 0.818 16 A HN 0.320 nan 8.150 nan 0.000 0.443 17 D N -0.431 119.770 120.400 -0.331 0.000 2.192 17 D HA -0.202 4.438 4.640 -0.000 0.000 0.189 17 D C 2.008 178.272 176.300 -0.061 0.000 1.007 17 D CA 2.478 56.369 54.000 -0.182 0.000 0.859 17 D CB -0.367 40.356 40.800 -0.129 0.000 0.936 17 D HN 0.534 nan 8.370 nan 0.000 0.447 18 V N -1.749 118.115 119.914 -0.084 0.000 3.406 18 V HA 0.147 4.267 4.120 -0.000 0.000 0.263 18 V C 1.085 177.181 176.094 0.003 0.000 1.172 18 V CA 0.084 62.366 62.300 -0.030 0.000 1.140 18 V CB -0.527 31.268 31.823 -0.046 0.000 0.784 18 V HN 0.016 nan 8.190 nan 0.000 0.467 19 L N 0.972 122.192 121.223 -0.005 0.000 2.453 19 L HA 0.400 4.740 4.340 -0.000 0.000 0.261 19 L C -1.977 175.000 176.870 0.178 0.000 1.179 19 L CA -1.823 53.049 54.840 0.053 0.000 0.813 19 L CB 0.317 42.365 42.059 -0.018 0.000 1.110 19 L HN 0.083 nan 8.230 nan 0.000 0.466 20 P HA 0.004 nan 4.420 nan 0.000 0.264 20 P C -0.838 176.448 177.300 -0.024 0.000 1.183 20 P CA -0.052 63.077 63.100 0.047 0.000 0.763 20 P CB 0.439 32.165 31.700 0.043 0.000 0.807 21 K N 4.435 124.727 120.400 -0.179 0.000 2.276 21 K HA 0.217 4.537 4.320 -0.000 0.000 0.259 21 K C -1.821 174.686 176.600 -0.155 0.000 1.001 21 K CA -1.202 54.871 56.287 -0.356 0.000 0.927 21 K CB -0.577 31.752 32.500 -0.284 0.000 0.969 21 K HN 0.386 nan 8.250 nan 0.000 0.490 22 P HA 0.132 nan 4.420 nan 0.000 0.276 22 P C -0.943 176.264 177.300 -0.154 0.000 1.261 22 P CA -0.144 62.850 63.100 -0.177 0.000 0.800 22 P CB 0.577 32.246 31.700 -0.052 0.000 1.066 23 H N 0.106 119.176 119.070 -0.000 0.000 2.317 23 H HA 0.228 4.784 4.556 -0.000 0.000 0.231 23 H C 0.518 175.839 175.328 -0.012 0.000 1.442 23 H CA -0.448 55.596 56.048 -0.006 0.000 1.336 23 H CB -0.133 29.617 29.762 -0.021 0.000 1.533 23 H HN 0.403 nan 8.280 nan 0.000 0.522 24 R N 1.338 121.898 120.500 0.100 0.000 2.347 24 R HA 0.221 4.561 4.340 -0.000 0.000 0.304 24 R C -0.439 175.851 176.300 -0.017 0.000 1.072 24 R CA -0.571 55.553 56.100 0.039 0.000 0.980 24 R CB 0.674 30.997 30.300 0.039 0.000 0.986 24 R HN 0.234 nan 8.270 nan 0.000 0.448 25 K N 2.966 123.327 120.400 -0.065 0.000 2.263 25 K HA 0.433 4.753 4.320 -0.000 0.000 0.272 25 K C -0.345 176.088 176.600 -0.278 0.000 1.033 25 K CA -0.841 55.355 56.287 -0.151 0.000 0.884 25 K CB 1.869 34.327 32.500 -0.070 0.000 1.107 25 K HN 0.713 nan 8.250 nan 0.000 0.460 26 G N 1.221 109.617 108.800 -0.673 0.000 2.531 26 G HA2 0.061 4.021 3.960 -0.000 0.000 0.313 26 G HA3 0.061 4.021 3.960 -0.000 0.000 0.313 26 G C -0.950 173.631 174.900 -0.532 0.000 1.238 26 G CA -0.596 44.039 45.100 -0.774 0.000 0.994 26 G HN 0.711 nan 8.290 nan 0.000 0.493 27 D N -0.277 119.994 120.400 -0.214 0.000 2.363 27 D HA 0.342 4.982 4.640 -0.000 0.000 0.263 27 D C 1.433 177.776 176.300 0.072 0.000 1.258 27 D CA 1.443 55.438 54.000 -0.007 0.000 0.907 27 D CB 0.362 41.201 40.800 0.065 0.000 1.107 27 D HN 0.887 nan 8.370 nan 0.000 0.495 28 G N 3.441 112.265 108.800 0.040 0.000 2.179 28 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 28 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 28 G C 0.200 174.714 174.900 -0.643 0.000 0.977 28 G CA 0.725 45.717 45.100 -0.179 0.000 0.641 28 G HN 0.656 nan 8.290 nan 0.000 0.533 29 F N -1.767 117.939 119.950 -0.407 0.000 2.711 29 F HA 0.829 5.356 4.527 -0.000 0.000 0.313 29 F C -0.912 174.896 175.800 0.015 0.000 1.141 29 F CA -2.134 55.620 58.000 -0.409 0.000 0.941 29 F CB 1.136 39.850 39.000 -0.477 0.000 1.349 29 F HN 0.021 nan 8.300 nan 0.000 0.464 30 I N 1.571 122.229 120.570 0.147 0.000 2.466 30 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 30 I C -1.031 175.173 176.117 0.145 0.000 1.026 30 I CA -0.551 60.791 61.300 0.071 0.000 1.078 30 I CB 2.043 40.100 38.000 0.095 0.000 1.249 30 I HN 0.743 nan 8.210 nan 0.000 0.429 31 E N 5.649 125.938 120.200 0.147 0.000 2.146 31 E HA 0.438 4.788 4.350 -0.000 0.000 0.282 31 E C -1.243 175.463 176.600 0.175 0.000 0.989 31 E CA -0.468 56.052 56.400 0.200 0.000 0.799 31 E CB 1.043 30.904 29.700 0.267 0.000 1.088 31 E HN 0.623 nan 8.360 nan 0.000 0.397 32 C N 3.005 122.406 119.300 0.167 0.000 2.531 32 C HA 0.719 5.179 4.460 -0.000 0.000 0.369 32 C C 0.981 176.047 174.990 0.126 0.000 1.258 32 C CA -0.723 58.411 59.018 0.193 0.000 1.876 32 C CB 1.022 28.874 27.740 0.188 0.000 2.256 32 C HN 0.919 nan 8.230 nan 0.000 0.510 33 G N 0.557 109.412 108.800 0.092 0.000 2.634 33 G HA2 0.375 4.335 3.960 -0.000 0.000 0.255 33 G HA3 0.375 4.335 3.960 -0.000 0.000 0.255 33 G C 0.242 175.186 174.900 0.074 0.000 1.205 33 G CA 0.242 45.379 45.100 0.061 0.000 0.884 33 G HN 0.924 nan 8.290 nan 0.000 0.549 34 N N -1.406 117.330 118.700 0.060 0.000 2.800 34 N HA -0.160 4.580 4.740 -0.000 0.000 0.250 34 N C 1.206 176.759 175.510 0.071 0.000 1.078 34 N CA 2.447 55.534 53.050 0.062 0.000 0.804 34 N CB -1.330 37.196 38.487 0.065 0.000 1.135 34 N HN 2.016 nan 8.380 nan 0.000 0.565 35 G N -0.438 108.408 108.800 0.077 0.000 2.295 35 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.287 35 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.287 35 G C -0.449 174.511 174.900 0.101 0.000 1.055 35 G CA 0.409 45.559 45.100 0.084 0.000 0.922 35 G HN 0.430 nan 8.290 nan 0.000 0.503 36 Q N -0.752 119.122 119.800 0.123 0.000 2.293 36 Q HA 0.658 4.998 4.340 -0.000 0.000 0.261 36 Q C -0.270 175.820 176.000 0.150 0.000 0.960 36 Q CA -0.619 55.289 55.803 0.174 0.000 0.882 36 Q CB 2.799 31.662 28.738 0.208 0.000 1.275 36 Q HN 0.276 nan 8.270 nan 0.000 0.445 37 V N 2.188 122.191 119.914 0.150 0.000 2.709 37 V HA 0.459 4.579 4.120 -0.000 0.000 0.308 37 V C -0.465 175.684 176.094 0.091 0.000 1.062 37 V CA -0.819 61.508 62.300 0.047 0.000 0.901 37 V CB 2.426 34.151 31.823 -0.164 0.000 1.003 37 V HN 0.513 nan 8.190 nan 0.000 0.425 38 V N 3.216 123.167 119.914 0.060 0.000 2.384 38 V HA 0.705 4.825 4.120 -0.000 0.000 0.287 38 V C 0.084 176.246 176.094 0.113 0.000 1.020 38 V CA -0.171 62.197 62.300 0.115 0.000 0.850 38 V CB 1.498 33.359 31.823 0.062 0.000 0.987 38 V HN 0.962 nan 8.190 nan 0.000 0.436 39 T N 4.042 118.632 114.554 0.060 0.000 2.831 39 T HA 0.846 5.196 4.350 -0.000 0.000 0.287 39 T C -1.862 172.903 174.700 0.109 0.000 1.070 39 T CA -0.493 61.523 62.100 -0.140 0.000 1.010 39 T CB 1.749 70.398 68.868 -0.365 0.000 1.264 39 T HN 0.861 nan 8.240 nan 0.000 0.532 40 W N -0.219 121.077 121.300 -0.006 0.000 3.137 40 W HA 0.700 5.360 4.660 -0.000 0.000 0.324 40 W C -1.346 175.158 176.519 -0.025 0.000 1.253 40 W CA -1.124 56.207 57.345 -0.022 0.000 1.183 40 W CB -0.059 29.386 29.460 -0.026 0.000 1.424 40 W HN 0.659 nan 8.180 nan 0.000 0.566 41 C N 1.804 121.218 119.300 0.191 0.000 2.520 41 C HA 0.610 5.070 4.460 -0.000 0.000 0.376 41 C C 0.489 175.614 174.990 0.225 0.000 1.268 41 C CA -0.389 58.692 59.018 0.106 0.000 2.414 41 C CB -0.037 27.704 27.740 0.002 0.000 2.521 41 C HN 0.505 nan 8.230 nan 0.000 0.618 42 I N 2.755 123.413 120.570 0.148 0.000 2.460 42 I HA 0.475 4.645 4.170 -0.000 0.000 0.277 42 I C 0.897 177.060 176.117 0.077 0.000 1.057 42 I CA 0.421 61.808 61.300 0.146 0.000 1.179 42 I CB -0.149 37.947 38.000 0.158 0.000 1.329 42 I HN 1.046 nan 8.210 nan 0.000 0.478 43 G N 3.937 112.766 108.800 0.049 0.000 2.740 43 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.250 43 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.250 43 G C -0.237 174.660 174.900 -0.005 0.000 1.358 43 G CA -0.362 44.756 45.100 0.030 0.000 0.897 43 G HN 0.726 nan 8.290 nan 0.000 0.567 44 H N -0.449 118.638 119.070 0.028 0.000 3.094 44 H HA 0.244 4.800 4.556 -0.000 0.000 0.320 44 H C 1.661 176.986 175.328 -0.004 0.000 1.000 44 H CA 0.816 56.871 56.048 0.011 0.000 1.413 44 H CB 0.435 30.206 29.762 0.015 0.000 1.405 44 H HN 0.428 nan 8.280 nan 0.000 0.586 45 L N 3.311 124.574 121.223 0.067 0.000 2.477 45 L HA 0.150 4.490 4.340 -0.000 0.000 0.220 45 L C -0.118 176.726 176.870 -0.043 0.000 1.106 45 L CA 0.446 55.287 54.840 0.001 0.000 0.851 45 L CB 0.119 42.154 42.059 -0.040 0.000 0.994 45 L HN 0.365 nan 8.230 nan 0.000 0.462 46 L N -0.504 120.714 121.223 -0.010 0.000 2.354 46 L HA 0.477 4.817 4.340 -0.000 0.000 0.264 46 L C -0.645 176.218 176.870 -0.012 0.000 1.008 46 L CA -0.558 54.233 54.840 -0.082 0.000 0.819 46 L CB 2.194 44.150 42.059 -0.172 0.000 1.339 46 L HN -0.016 nan 8.230 nan 0.000 0.420 47 E N 0.573 120.757 120.200 -0.027 0.000 2.367 47 E HA 0.353 4.703 4.350 -0.000 0.000 0.273 47 E C -1.609 175.007 176.600 0.027 0.000 0.903 47 E CA -1.114 55.281 56.400 -0.007 0.000 0.764 47 E CB 1.538 31.252 29.700 0.024 0.000 1.252 47 E HN 0.375 nan 8.360 nan 0.000 0.446 48 Q N 0.950 120.778 119.800 0.047 0.000 2.269 48 Q HA 0.136 4.476 4.340 -0.000 0.000 0.300 48 Q C 0.221 176.292 176.000 0.118 0.000 1.070 48 Q CA 0.382 56.221 55.803 0.060 0.000 0.957 48 Q CB 0.544 29.292 28.738 0.016 0.000 1.131 48 Q HN 0.620 nan 8.270 nan 0.000 0.377 49 A N 4.070 126.935 122.820 0.074 0.000 2.492 49 A HA 0.019 4.339 4.320 -0.000 0.000 0.236 49 A C 0.482 178.218 177.584 0.254 0.000 1.078 49 A CA -0.264 51.814 52.037 0.067 0.000 0.773 49 A CB 0.350 19.274 19.000 -0.127 0.000 1.023 49 A HN 0.636 nan 8.150 nan 0.000 0.504 50 Q N 0.720 120.668 119.800 0.247 0.000 2.417 50 Q HA 0.138 4.478 4.340 -0.000 0.000 0.241 50 Q C -1.655 174.623 176.000 0.462 0.000 1.008 50 Q CA -1.665 54.364 55.803 0.377 0.000 0.901 50 Q CB -0.254 28.627 28.738 0.239 0.000 1.259 50 Q HN 0.441 nan 8.270 nan 0.000 0.489 51 P HA -0.237 nan 4.420 nan 0.000 0.217 51 P C 0.378 178.001 177.300 0.540 0.000 1.151 51 P CA 1.990 65.473 63.100 0.638 0.000 0.849 51 P CB 0.085 31.970 31.700 0.308 0.000 0.787 52 D N -1.392 119.202 120.400 0.324 0.000 2.371 52 D HA -0.026 4.614 4.640 -0.000 0.000 0.221 52 D C 1.679 178.014 176.300 0.059 0.000 0.986 52 D CA 0.625 54.746 54.000 0.201 0.000 0.899 52 D CB -0.663 40.231 40.800 0.157 0.000 0.902 52 D HN 0.083 nan 8.370 nan 0.000 0.530 53 A N -0.053 122.759 122.820 -0.012 0.000 1.969 53 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 53 A C 1.543 178.927 177.584 -0.333 0.000 1.169 53 A CA 0.852 52.752 52.037 -0.228 0.000 0.635 53 A CB -0.895 17.868 19.000 -0.395 0.000 0.810 53 A HN 0.413 nan 8.150 nan 0.000 0.445 54 Y N -1.092 119.225 120.300 0.028 0.000 2.314 54 Y HA 0.144 4.694 4.550 -0.000 0.000 0.294 54 Y C 0.625 176.410 175.900 -0.191 0.000 1.119 54 Y CA 0.821 58.899 58.100 -0.035 0.000 1.179 54 Y CB 0.527 39.023 38.460 0.060 0.000 1.025 54 Y HN 0.234 nan 8.280 nan 0.000 0.541 55 D N -1.142 119.111 120.400 -0.244 0.000 2.861 55 D HA 0.079 4.719 4.640 -0.000 0.000 0.216 55 D C 0.371 176.470 176.300 -0.336 0.000 1.323 55 D CA 0.224 53.936 54.000 -0.480 0.000 0.917 55 D CB 1.627 41.791 40.800 -1.060 0.000 1.582 55 D HN 0.064 nan 8.370 nan 0.000 0.576 56 S N 3.406 119.009 115.700 -0.163 0.000 2.442 56 S HA -0.233 4.237 4.470 -0.000 0.000 0.236 56 S C 1.736 176.330 174.600 -0.009 0.000 1.007 56 S CA 0.971 59.139 58.200 -0.052 0.000 0.965 56 S CB -0.258 62.922 63.200 -0.032 0.000 0.773 56 S HN 0.673 nan 8.310 nan 0.000 0.504 57 R N 0.448 120.915 120.500 -0.055 0.000 2.237 57 R HA 0.007 4.347 4.340 -0.000 0.000 0.219 57 R C 1.540 177.969 176.300 0.215 0.000 1.080 57 R CA 1.084 57.216 56.100 0.054 0.000 0.995 57 R CB -0.801 29.524 30.300 0.042 0.000 0.875 57 R HN 0.585 nan 8.270 nan 0.000 0.462 58 Y N 0.283 120.629 120.300 0.076 0.000 2.571 58 Y HA 0.009 4.559 4.550 -0.000 0.000 0.294 58 Y C 2.538 178.508 175.900 0.117 0.000 1.141 58 Y CA -0.211 57.938 58.100 0.081 0.000 1.308 58 Y CB 0.074 38.591 38.460 0.094 0.000 1.002 58 Y HN 0.319 nan 8.280 nan 0.000 0.551 59 A N 0.850 123.835 122.820 0.274 0.000 2.019 59 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 59 A C 1.339 179.105 177.584 0.303 0.000 1.164 59 A CA 0.557 52.747 52.037 0.255 0.000 0.644 59 A CB -0.451 18.650 19.000 0.168 0.000 0.805 59 A HN 0.256 nan 8.150 nan 0.000 0.449 60 R N -0.126 120.529 120.500 0.257 0.000 2.267 60 R HA 0.223 4.563 4.340 -0.000 0.000 0.319 60 R C -1.445 175.062 176.300 0.344 0.000 1.067 60 R CA -0.574 55.675 56.100 0.248 0.000 0.936 60 R CB -0.089 30.304 30.300 0.155 0.000 1.006 60 R HN 0.351 nan 8.270 nan 0.000 0.452 61 W N 5.274 126.576 121.300 0.003 0.000 2.368 61 W HA 0.205 4.865 4.660 -0.000 0.000 0.316 61 W C -0.066 176.434 176.519 -0.032 0.000 1.375 61 W CA -0.221 57.108 57.345 -0.026 0.000 1.261 61 W CB -0.161 29.277 29.460 -0.037 0.000 1.298 61 W HN 0.759 nan 8.180 nan 0.000 0.539 62 N N 0.788 119.556 118.700 0.113 0.000 2.591 62 N HA 0.369 5.109 4.740 -0.000 0.000 0.263 62 N C -0.437 175.052 175.510 -0.035 0.000 1.308 62 N CA -0.835 52.243 53.050 0.047 0.000 0.837 62 N CB 1.022 39.541 38.487 0.053 0.000 1.548 62 N HN 0.198 nan 8.380 nan 0.000 0.493 63 L N -0.068 121.129 121.223 -0.043 0.000 2.179 63 L HA 0.173 4.513 4.340 -0.000 0.000 0.208 63 L C 2.361 179.188 176.870 -0.071 0.000 1.096 63 L CA 1.281 56.072 54.840 -0.082 0.000 0.779 63 L CB -0.552 41.459 42.059 -0.080 0.000 0.922 63 L HN 0.853 nan 8.230 nan 0.000 0.443 64 A N -0.069 122.731 122.820 -0.034 0.000 1.978 64 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 64 A C 1.829 179.403 177.584 -0.018 0.000 1.170 64 A CA 1.963 53.992 52.037 -0.013 0.000 0.636 64 A CB -0.409 18.598 19.000 0.012 0.000 0.810 64 A HN 0.340 nan 8.150 nan 0.000 0.448 65 D N -0.463 119.911 120.400 -0.044 0.000 2.317 65 D HA 0.094 4.734 4.640 -0.000 0.000 0.211 65 D C 0.666 176.844 176.300 -0.203 0.000 0.966 65 D CA 0.259 54.208 54.000 -0.084 0.000 0.876 65 D CB -0.113 40.630 40.800 -0.096 0.000 0.927 65 D HN 0.398 nan 8.370 nan 0.000 0.519 66 L N 2.351 123.448 121.223 -0.209 0.000 2.436 66 L HA 0.224 4.564 4.340 -0.000 0.000 0.265 66 L C -1.965 174.753 176.870 -0.255 0.000 1.168 66 L CA -1.634 53.042 54.840 -0.274 0.000 0.815 66 L CB 0.339 42.240 42.059 -0.262 0.000 1.109 66 L HN -0.177 nan 8.230 nan 0.000 0.462 67 P HA 0.173 nan 4.420 nan 0.000 0.276 67 P C -0.602 176.472 177.300 -0.377 0.000 1.230 67 P CA -0.213 62.625 63.100 -0.436 0.000 0.776 67 P CB 0.812 32.162 31.700 -0.584 0.000 0.888 68 I N 3.017 123.358 120.570 -0.383 0.000 2.421 68 I HA 0.075 4.245 4.170 -0.000 0.000 0.291 68 I C 0.134 176.147 176.117 -0.172 0.000 1.089 68 I CA -0.012 61.078 61.300 -0.349 0.000 1.354 68 I CB 0.404 38.122 38.000 -0.470 0.000 1.413 68 I HN 0.038 nan 8.210 nan 0.000 0.513 69 V N 8.129 127.944 119.914 -0.166 0.000 2.398 69 V HA 0.309 4.429 4.120 -0.000 0.000 0.282 69 V C -2.126 173.767 176.094 -0.334 0.000 1.014 69 V CA -1.561 60.641 62.300 -0.164 0.000 0.838 69 V CB 0.979 32.782 31.823 -0.033 0.000 1.018 69 V HN 0.576 nan 8.190 nan 0.000 0.432 70 P HA 0.274 nan 4.420 nan 0.000 0.269 70 P C 0.542 177.491 177.300 -0.585 0.000 1.215 70 P CA -0.116 62.351 63.100 -1.056 0.000 0.780 70 P CB 1.241 31.636 31.700 -2.175 0.000 0.898 71 E N 0.446 120.457 120.200 -0.316 0.000 2.372 71 E HA 0.087 4.437 4.350 -0.000 0.000 0.201 71 E C -0.024 176.581 176.600 0.008 0.000 0.938 71 E CA 0.681 57.035 56.400 -0.077 0.000 0.944 71 E CB 0.461 30.159 29.700 -0.004 0.000 0.937 71 E HN 0.411 nan 8.360 nan 0.000 0.495 72 K N 0.781 121.171 120.400 -0.016 0.000 2.521 72 K HA 0.174 4.494 4.320 -0.000 0.000 0.248 72 K C -1.061 175.633 176.600 0.156 0.000 0.978 72 K CA -0.496 55.855 56.287 0.106 0.000 0.947 72 K CB 0.894 33.451 32.500 0.096 0.000 1.165 72 K HN -0.143 nan 8.250 nan 0.000 0.445 73 W N 2.064 123.413 121.300 0.082 0.000 2.158 73 W HA 0.089 4.749 4.660 -0.000 0.000 0.339 73 W C 0.632 177.236 176.519 0.141 0.000 1.294 73 W CA 0.105 57.521 57.345 0.118 0.000 1.231 73 W CB 0.485 29.939 29.460 -0.009 0.000 1.143 73 W HN 0.310 nan 8.180 nan 0.000 0.571 74 Q N 2.023 122.038 119.800 0.359 0.000 2.365 74 Q HA 0.616 4.956 4.340 -0.000 0.000 0.269 74 Q C -0.982 175.095 176.000 0.127 0.000 1.061 74 Q CA -1.059 54.824 55.803 0.133 0.000 0.816 74 Q CB 2.145 30.809 28.738 -0.123 0.000 1.325 74 Q HN 0.320 nan 8.270 nan 0.000 0.446 75 L N 1.759 123.068 121.223 0.142 0.000 2.329 75 L HA 0.444 4.784 4.340 -0.000 0.000 0.279 75 L C -0.456 176.460 176.870 0.076 0.000 1.014 75 L CA -0.654 54.246 54.840 0.100 0.000 0.814 75 L CB 1.807 43.928 42.059 0.102 0.000 1.257 75 L HN 0.459 nan 8.230 nan 0.000 0.424 76 Q N 3.493 123.298 119.800 0.009 0.000 2.307 76 Q HA 0.360 4.700 4.340 -0.000 0.000 0.262 76 Q C -2.354 173.593 176.000 -0.088 0.000 0.961 76 Q CA -1.944 53.857 55.803 -0.004 0.000 0.882 76 Q CB 1.964 30.713 28.738 0.018 0.000 1.264 76 Q HN 0.273 nan 8.270 nan 0.000 0.446 77 P HA -0.081 nan 4.420 nan 0.000 0.262 77 P C -0.796 176.468 177.300 -0.060 0.000 1.182 77 P CA 0.284 63.289 63.100 -0.159 0.000 0.761 77 P CB 0.430 32.074 31.700 -0.093 0.000 0.795 78 R N 5.979 126.449 120.500 -0.049 0.000 2.401 78 R HA 0.100 4.440 4.340 -0.000 0.000 0.299 78 R C -1.472 174.830 176.300 0.003 0.000 1.064 78 R CA -1.254 54.844 56.100 -0.003 0.000 1.000 78 R CB 0.239 30.550 30.300 0.018 0.000 0.973 78 R HN 0.373 nan 8.270 nan 0.000 0.438 79 P HA -0.107 nan 4.420 nan 0.000 0.217 79 P C 0.871 178.182 177.300 0.018 0.000 1.154 79 P CA 1.007 64.117 63.100 0.016 0.000 0.841 79 P CB 0.170 31.882 31.700 0.021 0.000 0.788 80 S N -0.427 115.287 115.700 0.024 0.000 2.469 80 S HA -0.082 4.388 4.470 -0.000 0.000 0.238 80 S C 1.402 176.019 174.600 0.028 0.000 0.998 80 S CA 1.312 59.528 58.200 0.027 0.000 0.957 80 S CB -1.510 61.709 63.200 0.032 0.000 0.764 80 S HN 0.161 nan 8.310 nan 0.000 0.514 81 V N -0.653 119.276 119.914 0.024 0.000 2.988 81 V HA 0.382 4.502 4.120 -0.000 0.000 0.356 81 V C 1.541 177.639 176.094 0.006 0.000 1.380 81 V CA 0.112 62.425 62.300 0.022 0.000 1.184 81 V CB -0.885 30.957 31.823 0.031 0.000 1.204 81 V HN 0.499 nan 8.190 nan 0.000 0.530 82 T N -2.754 111.802 114.554 0.004 0.000 2.915 82 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 82 T C 1.654 176.351 174.700 -0.004 0.000 1.071 82 T CA 1.638 63.736 62.100 -0.004 0.000 1.132 82 T CB -0.284 68.586 68.868 0.003 0.000 0.878 82 T HN 0.502 nan 8.240 nan 0.000 0.479 83 K N 0.426 120.827 120.400 0.002 0.000 2.097 83 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 83 K C 2.570 179.162 176.600 -0.013 0.000 1.049 83 K CA 1.352 57.639 56.287 0.000 0.000 0.933 83 K CB -0.118 32.389 32.500 0.013 0.000 0.717 83 K HN 0.315 nan 8.250 nan 0.000 0.442 84 Q N 0.599 120.388 119.800 -0.018 0.000 2.230 84 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 84 Q C 1.756 177.719 176.000 -0.062 0.000 0.963 84 Q CA 0.799 56.569 55.803 -0.056 0.000 0.866 84 Q CB -0.040 28.664 28.738 -0.056 0.000 0.931 84 Q HN 0.198 nan 8.270 nan 0.000 0.452 85 L N 0.392 121.591 121.223 -0.040 0.000 2.083 85 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 85 L C 1.364 178.216 176.870 -0.030 0.000 1.083 85 L CA 1.722 56.541 54.840 -0.035 0.000 0.752 85 L CB -0.521 41.518 42.059 -0.034 0.000 0.899 85 L HN 0.234 nan 8.230 nan 0.000 0.433 86 N N -1.030 117.650 118.700 -0.033 0.000 2.300 86 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 86 N C 1.897 177.357 175.510 -0.085 0.000 1.016 86 N CA 1.346 54.363 53.050 -0.055 0.000 0.876 86 N CB -0.309 38.150 38.487 -0.047 0.000 0.979 86 N HN 0.218 nan 8.380 nan 0.000 0.432 87 V N 1.774 121.655 119.914 -0.056 0.000 2.287 87 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 87 V C 2.227 178.336 176.094 0.026 0.000 1.053 87 V CA 1.359 63.645 62.300 -0.023 0.000 1.027 87 V CB -0.417 31.411 31.823 0.008 0.000 0.646 87 V HN 0.220 nan 8.190 nan 0.000 0.447 88 I N -0.333 120.225 120.570 -0.020 0.000 2.252 88 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 88 I C 2.559 178.650 176.117 -0.044 0.000 1.102 88 I CA 1.773 63.067 61.300 -0.010 0.000 1.385 88 I CB -0.370 37.604 38.000 -0.043 0.000 1.064 88 I HN 0.275 nan 8.210 nan 0.000 0.414 89 K N 1.253 121.594 120.400 -0.098 0.000 2.032 89 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 89 K C 2.388 178.755 176.600 -0.388 0.000 1.048 89 K CA 1.475 57.627 56.287 -0.224 0.000 0.927 89 K CB -0.159 32.230 32.500 -0.185 0.000 0.712 89 K HN 0.103 nan 8.250 nan 0.000 0.441 90 R N -0.111 120.196 120.500 -0.320 0.000 2.103 90 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 90 R C 2.063 178.110 176.300 -0.422 0.000 1.132 90 R CA 2.304 58.147 56.100 -0.428 0.000 0.925 90 R CB -0.586 29.390 30.300 -0.541 0.000 0.842 90 R HN 0.270 nan 8.270 nan 0.000 0.430 91 F N 0.364 120.169 119.950 -0.241 0.000 2.451 91 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 91 F C 2.043 177.766 175.800 -0.128 0.000 1.101 91 F CA 0.074 57.954 58.000 -0.200 0.000 1.436 91 F CB -0.032 38.830 39.000 -0.229 0.000 1.074 91 F HN 0.130 nan 8.300 nan 0.000 0.553 92 L N -0.221 121.010 121.223 0.013 0.000 2.007 92 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 92 L C 2.283 179.240 176.870 0.145 0.000 1.073 92 L CA 1.980 56.860 54.840 0.066 0.000 0.744 92 L CB -1.123 40.981 42.059 0.075 0.000 0.898 92 L HN 0.189 nan 8.230 nan 0.000 0.435 93 H N -1.620 117.434 119.070 -0.027 0.000 2.543 93 H HA -0.114 4.442 4.556 -0.000 0.000 0.286 93 H C 1.460 176.768 175.328 -0.035 0.000 1.037 93 H CA 0.765 56.792 56.048 -0.034 0.000 1.250 93 H CB 0.306 30.041 29.762 -0.045 0.000 1.373 93 H HN 0.497 nan 8.280 nan 0.000 0.580 94 E N 1.376 121.613 120.200 0.062 0.000 2.474 94 E HA 0.147 4.497 4.350 -0.000 0.000 0.194 94 E C 0.203 176.830 176.600 0.045 0.000 1.041 94 E CA -0.183 56.230 56.400 0.020 0.000 0.874 94 E CB 0.405 30.076 29.700 -0.049 0.000 0.914 94 E HN 0.350 nan 8.360 nan 0.000 0.498 95 A N 0.090 122.944 122.820 0.057 0.000 2.306 95 A HA 0.403 4.723 4.320 -0.000 0.000 0.314 95 A C 0.703 178.301 177.584 0.022 0.000 1.164 95 A CA -0.461 51.602 52.037 0.044 0.000 0.822 95 A CB 1.535 20.559 19.000 0.039 0.000 1.130 95 A HN 0.179 nan 8.150 nan 0.000 0.496 96 S N 0.724 116.431 115.700 0.012 0.000 2.421 96 S HA 0.074 4.544 4.470 -0.000 0.000 0.224 96 S C 0.205 174.796 174.600 -0.015 0.000 1.035 96 S CA 0.885 59.086 58.200 0.001 0.000 0.953 96 S CB -0.039 63.164 63.200 0.005 0.000 0.810 96 S HN 0.805 nan 8.310 nan 0.000 0.497 97 E N 0.399 120.580 120.200 -0.031 0.000 2.266 97 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 97 E C -1.164 175.377 176.600 -0.099 0.000 0.879 97 E CA -0.521 55.842 56.400 -0.061 0.000 0.762 97 E CB 1.465 31.120 29.700 -0.074 0.000 1.199 97 E HN 0.001 nan 8.360 nan 0.000 0.422 98 I N 1.886 122.395 120.570 -0.103 0.000 2.460 98 I HA 0.426 4.596 4.170 -0.000 0.000 0.298 98 I C -0.520 175.485 176.117 -0.187 0.000 0.989 98 I CA -1.060 60.164 61.300 -0.126 0.000 1.173 98 I CB 1.404 39.368 38.000 -0.060 0.000 1.338 98 I HN 0.293 nan 8.210 nan 0.000 0.456 99 V N 4.972 124.719 119.914 -0.278 0.000 2.376 99 V HA 0.197 4.317 4.120 -0.000 0.000 0.287 99 V C -0.008 176.040 176.094 -0.075 0.000 1.015 99 V CA -0.722 61.415 62.300 -0.273 0.000 0.834 99 V CB 1.419 32.841 31.823 -0.668 0.000 1.001 99 V HN 0.656 nan 8.190 nan 0.000 0.428 100 H N 4.889 123.885 119.070 -0.123 0.000 2.955 100 H HA 0.440 4.996 4.556 -0.000 0.000 0.290 100 H C 0.266 175.547 175.328 -0.080 0.000 1.047 100 H CA 0.088 56.081 56.048 -0.093 0.000 1.484 100 H CB 1.397 31.087 29.762 -0.120 0.000 1.501 100 H HN 0.712 nan 8.280 nan 0.000 0.521 101 A N 5.067 128.031 122.820 0.240 0.000 2.749 101 A HA 0.383 4.703 4.320 -0.000 0.000 0.299 101 A C 1.126 178.785 177.584 0.126 0.000 1.105 101 A CA -0.017 52.132 52.037 0.187 0.000 0.987 101 A CB -0.219 18.901 19.000 0.200 0.000 1.180 101 A HN 0.787 nan 8.150 nan 0.000 0.528 102 G N -0.470 108.448 108.800 0.196 0.000 2.651 102 G HA2 0.369 4.329 3.960 -0.000 0.000 0.260 102 G HA3 0.369 4.329 3.960 -0.000 0.000 0.260 102 G C -0.484 174.428 174.900 0.019 0.000 1.216 102 G CA -0.348 44.807 45.100 0.091 0.000 0.913 102 G HN 0.331 nan 8.290 nan 0.000 0.535 103 D N 0.489 120.858 120.400 -0.052 0.000 2.449 103 D HA 0.098 4.738 4.640 -0.000 0.000 0.236 103 D C -1.555 174.604 176.300 -0.236 0.000 1.149 103 D CA -0.527 53.342 54.000 -0.218 0.000 0.878 103 D CB 1.183 41.869 40.800 -0.190 0.000 1.198 103 D HN 0.093 nan 8.370 nan 0.000 0.446 104 P HA 0.022 nan 4.420 nan 0.000 0.249 104 P C -0.910 176.335 177.300 -0.091 0.000 1.686 104 P CA 0.094 63.071 63.100 -0.205 0.000 0.873 104 P CB -0.063 31.517 31.700 -0.199 0.000 1.828 105 D N -1.694 118.652 120.400 -0.090 0.000 2.812 105 D HA 0.139 4.779 4.640 -0.000 0.000 0.318 105 D C 1.448 177.765 176.300 0.028 0.000 1.234 105 D CA -0.980 53.005 54.000 -0.025 0.000 0.989 105 D CB 0.521 41.206 40.800 -0.192 0.000 1.442 105 D HN -0.107 nan 8.370 nan 0.000 0.537 106 R N -0.230 120.302 120.500 0.052 0.000 2.075 106 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 106 R C 0.974 177.309 176.300 0.059 0.000 1.126 106 R CA 0.958 57.094 56.100 0.059 0.000 0.963 106 R CB -0.518 29.812 30.300 0.049 0.000 0.858 106 R HN 0.319 nan 8.270 nan 0.000 0.435 107 E N 0.976 121.210 120.200 0.056 0.000 2.077 107 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 107 E C 2.192 178.827 176.600 0.059 0.000 0.989 107 E CA 1.555 58.003 56.400 0.079 0.000 0.800 107 E CB -0.518 29.234 29.700 0.087 0.000 0.746 107 E HN 0.619 nan 8.360 nan 0.000 0.452 108 G N 1.117 109.938 108.800 0.034 0.000 2.446 108 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.217 108 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.217 108 G C 1.639 176.605 174.900 0.110 0.000 1.168 108 G CA 1.120 46.238 45.100 0.029 0.000 0.771 108 G HN 0.228 nan 8.290 nan 0.000 0.551 109 Q N -0.198 119.658 119.800 0.092 0.000 2.045 109 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 109 Q C 2.418 178.554 176.000 0.226 0.000 0.991 109 Q CA 1.537 57.426 55.803 0.143 0.000 0.851 109 Q CB -0.650 28.120 28.738 0.055 0.000 0.911 109 Q HN 0.392 nan 8.270 nan 0.000 0.418 110 L N -0.262 121.037 121.223 0.127 0.000 2.046 110 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 110 L C 2.126 179.049 176.870 0.089 0.000 1.077 110 L CA 1.652 56.559 54.840 0.111 0.000 0.747 110 L CB -1.001 41.122 42.059 0.107 0.000 0.896 110 L HN 0.472 nan 8.230 nan 0.000 0.432 111 L N -1.269 119.975 121.223 0.036 0.000 2.051 111 L HA -0.238 4.102 4.340 -0.000 0.000 0.214 111 L C 2.185 178.983 176.870 -0.120 0.000 1.076 111 L CA 2.258 57.030 54.840 -0.112 0.000 0.758 111 L CB -0.561 41.356 42.059 -0.237 0.000 0.890 111 L HN 0.158 nan 8.230 nan 0.000 0.433 112 V N -1.314 118.486 119.914 -0.189 0.000 2.575 112 V HA -0.087 4.033 4.120 -0.000 0.000 0.242 112 V C 2.128 178.112 176.094 -0.185 0.000 1.045 112 V CA 1.140 63.235 62.300 -0.342 0.000 1.065 112 V CB -0.485 30.792 31.823 -0.910 0.000 0.717 112 V HN 0.331 nan 8.190 nan 0.000 0.467 113 D N 0.617 120.993 120.400 -0.039 0.000 2.106 113 D HA -0.211 4.429 4.640 -0.000 0.000 0.191 113 D C 2.108 178.432 176.300 0.041 0.000 0.997 113 D CA 1.637 55.673 54.000 0.061 0.000 0.834 113 D CB -0.205 40.667 40.800 0.119 0.000 0.956 113 D HN 0.479 nan 8.370 nan 0.000 0.448 114 E N -0.178 120.049 120.200 0.046 0.000 2.113 114 E HA -0.224 4.126 4.350 -0.000 0.000 0.210 114 E C 2.133 178.778 176.600 0.074 0.000 1.040 114 E CA 1.365 57.801 56.400 0.061 0.000 0.847 114 E CB -0.105 29.637 29.700 0.071 0.000 0.755 114 E HN 0.097 nan 8.360 nan 0.000 0.459 115 V N 0.894 120.830 119.914 0.035 0.000 2.548 115 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 115 V C 2.135 178.277 176.094 0.079 0.000 1.055 115 V CA 1.195 63.523 62.300 0.046 0.000 1.065 115 V CB -0.270 31.544 31.823 -0.014 0.000 0.681 115 V HN 0.270 nan 8.190 nan 0.000 0.462 116 L N -0.808 120.442 121.223 0.045 0.000 2.179 116 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 116 L C 2.243 179.150 176.870 0.062 0.000 1.096 116 L CA 1.048 55.917 54.840 0.048 0.000 0.779 116 L CB -0.622 41.452 42.059 0.024 0.000 0.922 116 L HN 0.322 nan 8.230 nan 0.000 0.443 117 D N -0.184 120.260 120.400 0.073 0.000 2.075 117 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 117 D C 1.940 178.295 176.300 0.093 0.000 0.985 117 D CA 1.366 55.407 54.000 0.069 0.000 0.834 117 D CB -0.317 40.523 40.800 0.067 0.000 0.987 117 D HN 0.222 nan 8.370 nan 0.000 0.452 118 Y N 1.449 121.757 120.300 0.014 0.000 2.139 118 Y HA -0.172 4.378 4.550 -0.000 0.000 0.282 118 Y C 1.981 177.895 175.900 0.023 0.000 1.179 118 Y CA 1.387 59.498 58.100 0.018 0.000 1.161 118 Y CB -0.251 38.221 38.460 0.021 0.000 0.970 118 Y HN -0.070 nan 8.280 nan 0.000 0.511 119 L N 1.234 122.552 121.223 0.159 0.000 2.660 119 L HA -0.033 4.307 4.340 -0.000 0.000 0.238 119 L C 0.134 177.038 176.870 0.057 0.000 1.161 119 L CA 0.316 55.224 54.840 0.115 0.000 0.937 119 L CB -0.410 41.761 42.059 0.186 0.000 1.122 119 L HN 0.322 nan 8.230 nan 0.000 0.435 120 Q N 0.121 119.909 119.800 -0.019 0.000 2.464 120 Q HA -0.197 4.143 4.340 -0.000 0.000 0.304 120 Q C -0.329 175.639 176.000 -0.054 0.000 1.401 120 Q CA 0.411 56.182 55.803 -0.052 0.000 0.806 120 Q CB -1.718 26.971 28.738 -0.081 0.000 1.134 120 Q HN 0.244 nan 8.270 nan 0.000 0.411 121 L N 0.766 121.976 121.223 -0.022 0.000 2.513 121 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 121 L C 0.625 177.458 176.870 -0.062 0.000 1.187 121 L CA 0.993 55.814 54.840 -0.031 0.000 0.895 121 L CB 0.684 42.743 42.059 -0.000 0.000 1.147 121 L HN 0.371 nan 8.230 nan 0.000 0.483 122 A N 8.377 131.141 122.820 -0.094 0.000 2.546 122 A HA 0.268 4.588 4.320 -0.000 0.000 0.243 122 A C -1.272 176.281 177.584 -0.051 0.000 1.063 122 A CA -0.660 51.327 52.037 -0.084 0.000 0.757 122 A CB -0.549 18.390 19.000 -0.101 0.000 0.991 122 A HN 0.794 nan 8.150 nan 0.000 0.503 123 P HA -0.229 nan 4.420 nan 0.000 0.217 123 P C 0.706 177.990 177.300 -0.027 0.000 1.162 123 P CA 1.686 64.769 63.100 -0.027 0.000 0.901 123 P CB 0.110 31.800 31.700 -0.017 0.000 0.793 124 E N -0.995 119.189 120.200 -0.027 0.000 2.512 124 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 124 E C 1.785 178.370 176.600 -0.024 0.000 1.083 124 E CA 0.309 56.696 56.400 -0.023 0.000 0.873 124 E CB -0.098 29.590 29.700 -0.020 0.000 0.897 124 E HN 0.359 nan 8.360 nan 0.000 0.514 125 K N -0.358 120.026 120.400 -0.027 0.000 2.306 125 K HA 0.124 4.444 4.320 -0.000 0.000 0.200 125 K C 1.963 178.548 176.600 -0.025 0.000 1.083 125 K CA -0.386 55.886 56.287 -0.024 0.000 0.959 125 K CB 0.284 32.771 32.500 -0.021 0.000 0.994 125 K HN -0.115 nan 8.250 nan 0.000 0.492 126 R N 1.958 122.440 120.500 -0.029 0.000 2.103 126 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 126 R C 1.930 178.205 176.300 -0.042 0.000 1.132 126 R CA 1.750 57.830 56.100 -0.033 0.000 0.925 126 R CB -0.470 29.805 30.300 -0.042 0.000 0.842 126 R HN 0.271 nan 8.270 nan 0.000 0.430 127 Q N -0.044 119.725 119.800 -0.053 0.000 2.515 127 Q HA -0.125 4.215 4.340 -0.000 0.000 0.215 127 Q C 0.723 176.705 176.000 -0.030 0.000 0.983 127 Q CA 1.054 56.823 55.803 -0.056 0.000 0.905 127 Q CB 0.211 28.921 28.738 -0.047 0.000 0.961 127 Q HN 0.398 nan 8.270 nan 0.000 0.503 128 Q N -0.472 119.313 119.800 -0.025 0.000 2.157 128 Q HA 0.173 4.513 4.340 -0.000 0.000 0.229 128 Q C -0.858 175.128 176.000 -0.023 0.000 0.827 128 Q CA -0.263 55.529 55.803 -0.019 0.000 1.055 128 Q CB 1.464 30.191 28.738 -0.019 0.000 1.157 128 Q HN 0.066 nan 8.270 nan 0.000 0.482 129 V N 2.068 121.970 119.914 -0.020 0.000 2.686 129 V HA 0.049 4.169 4.120 -0.000 0.000 0.295 129 V C 0.505 176.587 176.094 -0.021 0.000 1.055 129 V CA 0.025 62.312 62.300 -0.023 0.000 1.050 129 V CB 1.244 33.065 31.823 -0.003 0.000 0.984 129 V HN 0.236 nan 8.190 nan 0.000 0.482 130 Q N 2.472 122.243 119.800 -0.047 0.000 2.205 130 Q HA 0.560 4.900 4.340 -0.000 0.000 0.249 130 Q C -0.499 175.463 176.000 -0.063 0.000 0.948 130 Q CA -0.952 54.825 55.803 -0.045 0.000 0.895 130 Q CB 1.857 30.552 28.738 -0.073 0.000 1.249 130 Q HN 0.525 nan 8.270 nan 0.000 0.458 131 R N 0.191 120.641 120.500 -0.082 0.000 2.437 131 R HA 0.384 4.724 4.340 -0.000 0.000 0.310 131 R C -1.575 174.649 176.300 -0.128 0.000 0.955 131 R CA -0.321 55.640 56.100 -0.232 0.000 0.851 131 R CB 0.900 30.857 30.300 -0.572 0.000 1.161 131 R HN 0.704 nan 8.270 nan 0.000 0.446 132 C N 6.747 125.993 119.300 -0.089 0.000 2.298 132 C HA 0.567 5.027 4.460 -0.000 0.000 0.323 132 C C -0.862 174.104 174.990 -0.040 0.000 1.284 132 C CA -0.808 58.216 59.018 0.010 0.000 1.577 132 C CB -0.401 27.421 27.740 0.136 0.000 2.249 132 C HN 0.787 nan 8.230 nan 0.000 0.497 133 L N 7.754 128.968 121.223 -0.016 0.000 2.283 133 L HA 0.532 4.872 4.340 -0.000 0.000 0.281 133 L C -0.411 176.469 176.870 0.017 0.000 1.033 133 L CA -0.125 54.699 54.840 -0.026 0.000 0.848 133 L CB 0.717 42.785 42.059 0.016 0.000 1.226 133 L HN 0.558 nan 8.230 nan 0.000 0.429 134 I N 3.383 123.945 120.570 -0.012 0.000 2.354 134 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 134 I C 0.679 176.812 176.117 0.027 0.000 0.989 134 I CA -0.009 61.311 61.300 0.033 0.000 1.188 134 I CB 1.367 39.387 38.000 0.033 0.000 1.342 134 I HN 0.553 nan 8.210 nan 0.000 0.457 135 N N 3.132 121.907 118.700 0.125 0.000 2.166 135 N HA 0.094 4.834 4.740 -0.000 0.000 0.213 135 N C -0.738 174.998 175.510 0.375 0.000 1.222 135 N CA 0.224 53.369 53.050 0.159 0.000 0.900 135 N CB 0.984 39.524 38.487 0.088 0.000 1.055 135 N HN 0.588 nan 8.380 nan 0.000 0.515 136 D N 0.290 120.896 120.400 0.343 0.000 2.990 136 D HA 0.200 4.840 4.640 -0.000 0.000 0.227 136 D C 0.173 176.545 176.300 0.120 0.000 1.249 136 D CA -0.400 53.788 54.000 0.315 0.000 0.891 136 D CB 1.555 42.509 40.800 0.256 0.000 1.647 136 D HN -0.178 nan 8.370 nan 0.000 0.530 137 L N 2.065 123.264 121.223 -0.040 0.000 2.592 137 L HA 0.165 4.505 4.340 -0.000 0.000 0.227 137 L C 0.782 177.600 176.870 -0.087 0.000 1.127 137 L CA -0.096 54.656 54.840 -0.146 0.000 0.884 137 L CB -0.192 41.656 42.059 -0.352 0.000 1.065 137 L HN 0.237 nan 8.230 nan 0.000 0.457 138 N N 1.379 120.060 118.700 -0.031 0.000 2.492 138 N HA 0.030 4.770 4.740 -0.000 0.000 0.262 138 N C -1.595 173.906 175.510 -0.014 0.000 1.202 138 N CA -0.897 52.143 53.050 -0.017 0.000 0.926 138 N CB 1.234 39.729 38.487 0.013 0.000 1.078 138 N HN -0.154 nan 8.380 nan 0.000 0.454 139 P HA -0.241 nan 4.420 nan 0.000 0.219 139 P C 1.298 178.596 177.300 -0.003 0.000 1.161 139 P CA 1.569 64.658 63.100 -0.019 0.000 0.909 139 P CB 0.274 31.966 31.700 -0.015 0.000 0.793 140 Q N -1.560 118.244 119.800 0.007 0.000 2.170 140 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 140 Q C 2.077 178.093 176.000 0.026 0.000 0.976 140 Q CA 1.579 57.391 55.803 0.016 0.000 0.858 140 Q CB -0.434 28.314 28.738 0.016 0.000 0.907 140 Q HN 0.163 nan 8.270 nan 0.000 0.433 141 A N -0.303 122.537 122.820 0.033 0.000 1.897 141 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 141 A C 2.195 179.811 177.584 0.054 0.000 1.181 141 A CA 1.003 53.074 52.037 0.057 0.000 0.620 141 A CB -0.465 18.585 19.000 0.083 0.000 0.821 141 A HN 0.223 nan 8.150 nan 0.000 0.443 142 V N 0.356 120.286 119.914 0.027 0.000 2.295 142 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 142 V C 2.397 178.501 176.094 0.018 0.000 1.049 142 V CA 2.256 64.563 62.300 0.011 0.000 1.024 142 V CB -0.936 30.867 31.823 -0.034 0.000 0.648 142 V HN 0.612 nan 8.190 nan 0.000 0.447 143 E N -0.034 120.175 120.200 0.014 0.000 2.070 143 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 143 E C 2.446 179.074 176.600 0.047 0.000 1.004 143 E CA 1.646 58.061 56.400 0.025 0.000 0.805 143 E CB -0.264 29.449 29.700 0.021 0.000 0.744 143 E HN 0.459 nan 8.360 nan 0.000 0.451 144 R N 0.531 121.062 120.500 0.051 0.000 2.120 144 R HA -0.128 4.211 4.340 -0.000 0.000 0.234 144 R C 2.171 178.518 176.300 0.079 0.000 1.123 144 R CA 1.218 57.356 56.100 0.064 0.000 0.975 144 R CB -0.122 30.218 30.300 0.066 0.000 0.866 144 R HN 0.133 nan 8.270 nan 0.000 0.446 145 A N 0.512 123.381 122.820 0.080 0.000 1.968 145 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 145 A C 2.021 179.665 177.584 0.101 0.000 1.169 145 A CA 0.965 53.056 52.037 0.091 0.000 0.638 145 A CB -0.203 18.846 19.000 0.083 0.000 0.812 145 A HN 0.346 nan 8.150 nan 0.000 0.446 146 I N -0.536 120.094 120.570 0.101 0.000 2.716 146 I HA -0.097 4.073 4.170 -0.000 0.000 0.259 146 I C 1.114 177.303 176.117 0.121 0.000 1.172 146 I CA 0.742 62.128 61.300 0.143 0.000 1.478 146 I CB -0.062 38.020 38.000 0.137 0.000 1.104 146 I HN 0.142 nan 8.210 nan 0.000 0.439 147 D N 0.764 121.219 120.400 0.091 0.000 2.347 147 D HA -0.006 4.634 4.640 -0.000 0.000 0.213 147 D C 1.576 177.922 176.300 0.076 0.000 0.985 147 D CA 0.718 54.764 54.000 0.078 0.000 0.879 147 D CB 0.065 40.904 40.800 0.064 0.000 0.919 147 D HN 0.220 nan 8.370 nan 0.000 0.526 148 R N 0.156 120.706 120.500 0.084 0.000 2.552 148 R HA 0.244 4.584 4.340 -0.000 0.000 0.314 148 R C 0.134 176.487 176.300 0.089 0.000 1.041 148 R CA -0.300 55.851 56.100 0.085 0.000 1.076 148 R CB 0.439 30.795 30.300 0.093 0.000 1.290 148 R HN 0.078 nan 8.270 nan 0.000 0.563 149 L N 2.178 123.450 121.223 0.082 0.000 2.593 149 L HA -0.072 4.268 4.340 -0.000 0.000 0.287 149 L C 0.691 177.608 176.870 0.078 0.000 1.243 149 L CA 1.013 55.896 54.840 0.071 0.000 0.890 149 L CB -0.007 42.082 42.059 0.051 0.000 1.134 149 L HN 0.041 nan 8.230 nan 0.000 0.502 150 R N 1.683 122.243 120.500 0.100 0.000 2.873 150 R HA 0.355 4.695 4.340 -0.000 0.000 0.264 150 R C -0.403 175.972 176.300 0.125 0.000 1.026 150 R CA -0.857 55.327 56.100 0.140 0.000 1.002 150 R CB 1.853 32.310 30.300 0.261 0.000 1.174 150 R HN 0.577 nan 8.270 nan 0.000 0.488 151 S N 0.649 116.420 115.700 0.118 0.000 2.533 151 S HA -0.054 4.416 4.470 -0.000 0.000 0.282 151 S C 1.057 175.759 174.600 0.169 0.000 1.304 151 S CA -0.242 58.016 58.200 0.096 0.000 1.063 151 S CB 0.331 63.569 63.200 0.065 0.000 0.881 151 S HN 0.607 nan 8.310 nan 0.000 0.493 152 N N 3.497 122.261 118.700 0.107 0.000 2.381 152 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 152 N C 1.595 177.207 175.510 0.171 0.000 1.025 152 N CA 1.597 54.719 53.050 0.121 0.000 0.888 152 N CB -0.149 38.349 38.487 0.017 0.000 0.965 152 N HN 0.590 nan 8.380 nan 0.000 0.438 153 S N 0.377 116.136 115.700 0.100 0.000 2.400 153 S HA -0.199 4.271 4.470 -0.000 0.000 0.232 153 S C 1.352 176.003 174.600 0.085 0.000 1.025 153 S CA 1.365 59.602 58.200 0.062 0.000 0.993 153 S CB -0.504 62.711 63.200 0.025 0.000 0.808 153 S HN 0.723 nan 8.310 nan 0.000 0.478 154 E N 0.175 120.424 120.200 0.082 0.000 2.502 154 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 154 E C 0.327 176.803 176.600 -0.207 0.000 1.062 154 E CA 0.295 56.666 56.400 -0.049 0.000 0.867 154 E CB -0.333 29.299 29.700 -0.115 0.000 0.888 154 E HN 0.569 nan 8.360 nan 0.000 0.510 155 F N 0.343 120.285 119.950 -0.014 0.000 2.695 155 F HA 0.147 4.674 4.527 -0.000 0.000 0.303 155 F C 1.797 177.585 175.800 -0.021 0.000 1.091 155 F CA -0.301 57.679 58.000 -0.034 0.000 1.300 155 F CB 0.540 39.484 39.000 -0.094 0.000 1.071 155 F HN -0.126 nan 8.300 nan 0.000 0.578 156 V N 1.638 121.629 119.914 0.128 0.000 2.252 156 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 156 V C -0.165 175.952 176.094 0.038 0.000 1.056 156 V CA 2.232 64.588 62.300 0.093 0.000 1.022 156 V CB -1.438 30.455 31.823 0.117 0.000 0.641 156 V HN 0.175 nan 8.190 nan 0.000 0.445 157 P HA -0.202 nan 4.420 nan 0.000 0.216 157 P C 1.969 179.219 177.300 -0.084 0.000 1.157 157 P CA 1.596 64.654 63.100 -0.069 0.000 0.880 157 P CB -0.085 31.641 31.700 0.042 0.000 0.791 158 L N -1.433 119.789 121.223 -0.002 0.000 2.042 158 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 158 L C 2.745 179.626 176.870 0.019 0.000 1.076 158 L CA 1.631 56.490 54.840 0.031 0.000 0.749 158 L CB -0.971 41.165 42.059 0.129 0.000 0.893 158 L HN 0.139 nan 8.230 nan 0.000 0.432 159 C N -1.271 118.047 119.300 0.031 0.000 2.453 159 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 159 C C 2.728 177.706 174.990 -0.021 0.000 1.262 159 C CA 0.879 59.912 59.018 0.025 0.000 1.718 159 C CB -0.461 27.306 27.740 0.045 0.000 2.031 159 C HN 0.388 nan 8.230 nan 0.000 0.480 160 V N 0.780 120.653 119.914 -0.069 0.000 2.490 160 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 160 V C 2.744 178.796 176.094 -0.070 0.000 1.061 160 V CA 2.298 64.546 62.300 -0.086 0.000 1.064 160 V CB -0.952 30.762 31.823 -0.182 0.000 0.670 160 V HN 0.751 nan 8.190 nan 0.000 0.461 161 S N 0.342 115.975 115.700 -0.110 0.000 2.368 161 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 161 S C 2.036 176.570 174.600 -0.110 0.000 1.029 161 S CA 1.630 59.749 58.200 -0.134 0.000 0.988 161 S CB -0.194 62.938 63.200 -0.113 0.000 0.838 161 S HN 0.599 nan 8.310 nan 0.000 0.462 162 A N 0.916 123.705 122.820 -0.051 0.000 1.975 162 A HA 0.240 4.560 4.320 -0.000 0.000 0.215 162 A C 2.071 179.640 177.584 -0.025 0.000 1.170 162 A CA 1.023 53.047 52.037 -0.022 0.000 0.656 162 A CB -0.714 18.298 19.000 0.020 0.000 0.821 162 A HN 0.537 nan 8.150 nan 0.000 0.449 163 L N 0.137 121.341 121.223 -0.032 0.000 2.017 163 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 163 L C 2.636 179.471 176.870 -0.058 0.000 1.073 163 L CA 2.252 57.058 54.840 -0.057 0.000 0.745 163 L CB -0.892 41.125 42.059 -0.070 0.000 0.894 163 L HN 0.334 nan 8.230 nan 0.000 0.432 164 A N -0.645 122.182 122.820 0.011 0.000 1.933 164 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 164 A C 2.487 180.061 177.584 -0.017 0.000 1.175 164 A CA 1.540 53.611 52.037 0.057 0.000 0.628 164 A CB -0.633 18.369 19.000 0.004 0.000 0.814 164 A HN 0.435 nan 8.150 nan 0.000 0.444 165 R N 0.060 120.507 120.500 -0.090 0.000 2.081 165 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 165 R C 2.269 178.605 176.300 0.062 0.000 1.131 165 R CA 1.738 57.823 56.100 -0.026 0.000 0.960 165 R CB -0.795 29.494 30.300 -0.020 0.000 0.856 165 R HN 0.441 nan 8.270 nan 0.000 0.436 166 A N 0.997 123.826 122.820 0.015 0.000 1.898 166 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 166 A C 2.330 179.923 177.584 0.016 0.000 1.181 166 A CA 1.277 53.332 52.037 0.030 0.000 0.620 166 A CB -0.384 18.599 19.000 -0.027 0.000 0.819 166 A HN 0.337 nan 8.150 nan 0.000 0.442 167 R N -0.462 119.932 120.500 -0.177 0.000 2.073 167 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 167 R C 2.512 178.861 176.300 0.082 0.000 1.134 167 R CA 1.241 57.098 56.100 -0.405 0.000 0.952 167 R CB -0.520 29.212 30.300 -0.947 0.000 0.850 167 R HN 0.497 nan 8.270 nan 0.000 0.433 168 A N 1.440 124.302 122.820 0.070 0.000 1.908 168 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 168 A C 1.628 179.456 177.584 0.406 0.000 1.181 168 A CA 1.912 54.000 52.037 0.086 0.000 0.627 168 A CB -0.441 18.359 19.000 -0.333 0.000 0.818 168 A HN 0.207 nan 8.150 nan 0.000 0.445 169 D N -2.069 118.589 120.400 0.431 0.000 2.178 169 D HA -0.127 4.513 4.640 -0.000 0.000 0.202 169 D C 1.586 178.149 176.300 0.438 0.000 0.974 169 D CA 0.883 55.164 54.000 0.469 0.000 0.841 169 D CB -0.236 40.775 40.800 0.352 0.000 0.953 169 D HN 0.746 nan 8.370 nan 0.000 0.478 170 W N 1.550 123.002 121.300 0.254 0.000 2.381 170 W HA -0.080 4.579 4.660 -0.000 0.000 0.321 170 W C 2.261 178.932 176.519 0.254 0.000 1.196 170 W CA 0.910 58.410 57.345 0.259 0.000 1.304 170 W CB -0.526 29.144 29.460 0.351 0.000 1.166 170 W HN -0.154 nan 8.180 nan 0.000 0.473 171 L N -0.404 121.293 121.223 0.791 0.000 1.991 171 L HA -0.355 3.985 4.340 -0.000 0.000 0.221 171 L C 2.471 179.483 176.870 0.237 0.000 1.079 171 L CA 2.255 57.399 54.840 0.507 0.000 0.778 171 L CB -1.448 40.893 42.059 0.471 0.000 0.893 171 L HN 0.181 nan 8.230 nan 0.000 0.437 172 Y N 0.252 120.676 120.300 0.208 0.000 2.163 172 Y HA -0.141 4.409 4.550 -0.000 0.000 0.288 172 Y C 2.275 178.198 175.900 0.039 0.000 1.136 172 Y CA 1.724 59.915 58.100 0.152 0.000 1.147 172 Y CB -0.500 38.138 38.460 0.296 0.000 0.987 172 Y HN 0.065 nan 8.280 nan 0.000 0.509 173 G N 0.280 109.155 108.800 0.126 0.000 2.396 173 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.214 173 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.214 173 G C 1.559 176.335 174.900 -0.208 0.000 1.166 173 G CA 0.844 45.933 45.100 -0.018 0.000 0.793 173 G HN 0.341 nan 8.290 nan 0.000 0.533 174 I N 1.821 122.177 120.570 -0.356 0.000 2.179 174 I HA -0.138 4.032 4.170 -0.000 0.000 0.242 174 I C 2.338 178.149 176.117 -0.510 0.000 1.088 174 I CA 1.060 62.023 61.300 -0.562 0.000 1.357 174 I CB -0.925 36.447 38.000 -1.046 0.000 1.051 174 I HN 0.147 nan 8.210 nan 0.000 0.409 175 N N 0.340 118.779 118.700 -0.435 0.000 2.135 175 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 175 N C 1.868 177.188 175.510 -0.316 0.000 1.027 175 N CA 1.133 53.951 53.050 -0.387 0.000 0.849 175 N CB -0.124 38.172 38.487 -0.319 0.000 1.002 175 N HN 0.256 nan 8.380 nan 0.000 0.425 176 M N 0.738 120.146 119.600 -0.319 0.000 2.117 176 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 176 M C 1.898 178.157 176.300 -0.068 0.000 1.065 176 M CA 1.198 56.369 55.300 -0.214 0.000 1.114 176 M CB -1.292 31.013 32.600 -0.491 0.000 1.361 176 M HN 0.073 nan 8.290 nan 0.000 0.408 177 T N 0.062 114.523 114.554 -0.155 0.000 2.746 177 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 177 T C 1.986 176.616 174.700 -0.117 0.000 1.039 177 T CA 1.265 63.322 62.100 -0.071 0.000 1.142 177 T CB -0.174 68.648 68.868 -0.076 0.000 0.866 177 T HN 0.326 nan 8.240 nan 0.000 0.444 178 R N 0.888 121.148 120.500 -0.400 0.000 2.083 178 R HA -0.012 4.328 4.340 -0.000 0.000 0.237 178 R C 2.781 178.966 176.300 -0.193 0.000 1.137 178 R CA 1.451 57.240 56.100 -0.519 0.000 0.951 178 R CB -0.557 29.243 30.300 -0.833 0.000 0.851 178 R HN 0.372 nan 8.270 nan 0.000 0.434 179 A N -0.041 122.661 122.820 -0.196 0.000 1.865 179 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 179 A C 1.908 179.318 177.584 -0.291 0.000 1.191 179 A CA 1.401 53.294 52.037 -0.241 0.000 0.623 179 A CB -0.790 18.031 19.000 -0.298 0.000 0.826 179 A HN 0.372 nan 8.150 nan 0.000 0.444 180 Y N 0.351 120.599 120.300 -0.087 0.000 2.337 180 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 180 Y C 2.915 178.769 175.900 -0.078 0.000 1.123 180 Y CA 1.566 59.621 58.100 -0.074 0.000 1.201 180 Y CB -0.641 37.819 38.460 -0.000 0.000 1.011 180 Y HN 0.274 nan 8.280 nan 0.000 0.545 181 T N 0.393 115.032 114.554 0.141 0.000 2.708 181 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 181 T C 1.963 176.711 174.700 0.080 0.000 1.037 181 T CA 1.652 63.868 62.100 0.192 0.000 1.146 181 T CB -0.439 68.664 68.868 0.392 0.000 0.865 181 T HN 0.218 nan 8.240 nan 0.000 0.435 182 I N 0.655 121.252 120.570 0.045 0.000 2.179 182 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 182 I C 2.249 178.282 176.117 -0.140 0.000 1.088 182 I CA 1.115 62.410 61.300 -0.009 0.000 1.357 182 I CB -0.396 37.603 38.000 -0.002 0.000 1.051 182 I HN 0.178 nan 8.210 nan 0.000 0.409 183 L N 0.293 121.345 121.223 -0.286 0.000 2.012 183 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 183 L C 2.707 179.192 176.870 -0.642 0.000 1.073 183 L CA 1.766 56.320 54.840 -0.476 0.000 0.748 183 L CB -1.297 40.361 42.059 -0.668 0.000 0.891 183 L HN 0.346 nan 8.230 nan 0.000 0.431 184 G N -0.415 107.972 108.800 -0.688 0.000 2.446 184 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 184 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 184 G C 1.713 176.578 174.900 -0.058 0.000 1.168 184 G CA 0.420 45.275 45.100 -0.407 0.000 0.771 184 G HN 0.183 nan 8.290 nan 0.000 0.551 185 R N 0.530 121.015 120.500 -0.025 0.000 2.081 185 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 185 R C 2.175 178.470 176.300 -0.008 0.000 1.131 185 R CA 1.038 57.142 56.100 0.007 0.000 0.960 185 R CB -0.837 29.459 30.300 -0.007 0.000 0.856 185 R HN 0.292 nan 8.270 nan 0.000 0.436 186 N N 0.823 119.496 118.700 -0.044 0.000 2.513 186 N HA -0.119 4.621 4.740 -0.000 0.000 0.187 186 N C 0.764 176.280 175.510 0.010 0.000 1.056 186 N CA 1.125 54.160 53.050 -0.025 0.000 0.907 186 N CB 0.078 38.538 38.487 -0.045 0.000 0.954 186 N HN 0.220 nan 8.380 nan 0.000 0.445 187 A N -1.064 121.772 122.820 0.027 0.000 2.637 187 A HA 0.566 4.886 4.320 -0.000 0.000 0.293 187 A C 1.286 178.944 177.584 0.122 0.000 1.216 187 A CA 0.262 52.356 52.037 0.094 0.000 0.956 187 A CB -0.037 19.066 19.000 0.172 0.000 1.174 187 A HN 0.194 nan 8.150 nan 0.000 0.525 188 G N -1.292 107.565 108.800 0.095 0.000 2.176 188 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.253 188 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.253 188 G C 0.032 175.015 174.900 0.138 0.000 0.979 188 G CA 0.410 45.569 45.100 0.097 0.000 0.641 188 G HN 0.937 nan 8.290 nan 0.000 0.530 189 Y N 1.849 122.171 120.300 0.037 0.000 2.365 189 Y HA 0.547 5.097 4.550 -0.000 0.000 0.340 189 Y C 1.437 177.349 175.900 0.020 0.000 1.016 189 Y CA 0.076 58.205 58.100 0.048 0.000 1.196 189 Y CB 0.912 39.425 38.460 0.088 0.000 1.167 189 Y HN 0.208 nan 8.280 nan 0.000 0.509 190 Q N 3.580 123.106 119.800 -0.456 0.000 2.432 190 Q HA 0.118 4.458 4.340 -0.000 0.000 0.205 190 Q C 0.877 176.578 176.000 -0.498 0.000 0.945 190 Q CA 0.391 55.971 55.803 -0.372 0.000 0.924 190 Q CB 0.356 28.938 28.738 -0.259 0.000 1.016 190 Q HN 0.965 nan 8.270 nan 0.000 0.503 191 G N -0.053 108.113 108.800 -1.056 0.000 2.563 191 G HA2 0.321 4.281 3.960 -0.000 0.000 0.283 191 G HA3 0.321 4.281 3.960 -0.000 0.000 0.283 191 G C -0.604 174.238 174.900 -0.097 0.000 1.309 191 G CA -0.507 44.214 45.100 -0.631 0.000 1.022 191 G HN 0.016 nan 8.290 nan 0.000 0.501 192 V N 0.573 120.538 119.914 0.086 0.000 2.383 192 V HA 0.217 4.337 4.120 -0.000 0.000 0.275 192 V C 0.274 176.599 176.094 0.385 0.000 1.036 192 V CA -0.302 62.122 62.300 0.206 0.000 0.889 192 V CB 1.173 33.073 31.823 0.130 0.000 0.985 192 V HN 0.452 nan 8.190 nan 0.000 0.459 193 L N 5.858 127.341 121.223 0.434 0.000 2.389 193 L HA 0.260 4.600 4.340 -0.000 0.000 0.265 193 L C 0.934 178.020 176.870 0.361 0.000 1.167 193 L CA -0.042 55.080 54.840 0.470 0.000 1.045 193 L CB 0.303 42.571 42.059 0.349 0.000 1.351 193 L HN 0.823 nan 8.230 nan 0.000 0.419 194 S N 1.507 117.435 115.700 0.380 0.000 2.593 194 S HA 0.590 5.060 4.470 -0.000 0.000 0.269 194 S C -0.134 174.570 174.600 0.174 0.000 1.334 194 S CA -0.685 57.663 58.200 0.246 0.000 1.015 194 S CB 2.052 65.381 63.200 0.214 0.000 0.912 194 S HN 0.183 nan 8.310 nan 0.000 0.541 195 V N 1.145 121.096 119.914 0.062 0.000 2.777 195 V HA 0.811 4.931 4.120 -0.000 0.000 0.306 195 V C 0.312 176.420 176.094 0.023 0.000 1.112 195 V CA -0.040 62.248 62.300 -0.021 0.000 0.917 195 V CB 1.914 33.633 31.823 -0.173 0.000 1.018 195 V HN 1.357 nan 8.190 nan 0.000 0.426 196 G N 2.920 111.787 108.800 0.112 0.000 2.677 196 G HA2 0.521 4.481 3.960 -0.000 0.000 0.291 196 G HA3 0.521 4.481 3.960 -0.000 0.000 0.291 196 G C 0.102 175.118 174.900 0.194 0.000 1.435 196 G CA -0.356 44.873 45.100 0.214 0.000 0.826 196 G HN 0.823 nan 8.290 nan 0.000 0.491 197 R N -0.549 120.007 120.500 0.094 0.000 2.285 197 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 197 R C 0.896 177.094 176.300 -0.170 0.000 1.068 197 R CA 1.425 57.376 56.100 -0.247 0.000 1.004 197 R CB -0.178 29.734 30.300 -0.647 0.000 0.873 197 R HN 0.263 nan 8.270 nan 0.000 0.467 198 V N 1.157 121.038 119.914 -0.055 0.000 2.743 198 V HA -0.109 4.011 4.120 -0.000 0.000 0.237 198 V C 2.460 178.538 176.094 -0.026 0.000 1.113 198 V CA 1.049 63.321 62.300 -0.047 0.000 1.141 198 V CB -0.137 31.678 31.823 -0.013 0.000 0.873 198 V HN 0.386 nan 8.190 nan 0.000 0.486 199 Q N 0.711 120.522 119.800 0.017 0.000 2.135 199 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 199 Q C 1.892 177.901 176.000 0.016 0.000 0.981 199 Q CA 2.427 58.252 55.803 0.038 0.000 0.856 199 Q CB -0.891 27.901 28.738 0.090 0.000 0.902 199 Q HN 0.553 nan 8.270 nan 0.000 0.425 200 T N 1.675 116.229 114.554 -0.000 0.000 2.770 200 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 200 T C -0.874 173.794 174.700 -0.053 0.000 1.039 200 T CA 1.109 63.187 62.100 -0.037 0.000 1.142 200 T CB -1.023 67.816 68.868 -0.049 0.000 0.868 200 T HN 0.278 nan 8.240 nan 0.000 0.435 201 P HA -0.020 nan 4.420 nan 0.000 0.218 201 P C 1.569 178.809 177.300 -0.101 0.000 1.148 201 P CA 0.523 63.573 63.100 -0.082 0.000 0.822 201 P CB -0.214 31.420 31.700 -0.109 0.000 0.784 202 V N -0.169 119.681 119.914 -0.107 0.000 2.237 202 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 202 V C 2.393 178.399 176.094 -0.146 0.000 1.046 202 V CA 1.672 63.881 62.300 -0.152 0.000 1.007 202 V CB -1.399 30.353 31.823 -0.119 0.000 0.638 202 V HN 0.052 nan 8.190 nan 0.000 0.445 203 L N 1.609 122.782 121.223 -0.082 0.000 2.064 203 L HA -0.197 4.143 4.340 -0.000 0.000 0.216 203 L C 2.266 179.075 176.870 -0.100 0.000 1.077 203 L CA 2.645 57.436 54.840 -0.081 0.000 0.766 203 L CB -1.457 40.557 42.059 -0.075 0.000 0.890 203 L HN 0.309 nan 8.230 nan 0.000 0.435 204 G N -0.620 108.170 108.800 -0.017 0.000 2.446 204 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 204 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 204 G C 1.623 176.473 174.900 -0.083 0.000 1.168 204 G CA 1.073 46.224 45.100 0.086 0.000 0.771 204 G HN 0.478 nan 8.290 nan 0.000 0.551 205 L N 0.093 121.226 121.223 -0.150 0.000 1.997 205 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 205 L C 3.026 179.848 176.870 -0.080 0.000 1.074 205 L CA 1.060 55.772 54.840 -0.214 0.000 0.763 205 L CB -0.727 41.041 42.059 -0.485 0.000 0.890 205 L HN 0.127 nan 8.230 nan 0.000 0.434 206 V N -0.794 119.024 119.914 -0.160 0.000 2.270 206 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 206 V C 2.437 178.489 176.094 -0.070 0.000 1.043 206 V CA 1.562 63.854 62.300 -0.013 0.000 1.014 206 V CB -0.274 31.512 31.823 -0.063 0.000 0.645 206 V HN 0.200 nan 8.190 nan 0.000 0.447 207 V N -0.018 119.735 119.914 -0.269 0.000 2.282 207 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 207 V C 2.582 178.423 176.094 -0.422 0.000 1.057 207 V CA 2.326 64.336 62.300 -0.483 0.000 1.032 207 V CB -0.860 30.305 31.823 -1.098 0.000 0.645 207 V HN 0.463 nan 8.190 nan 0.000 0.447 208 R N -0.518 119.767 120.500 -0.357 0.000 2.066 208 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 208 R C 2.571 178.827 176.300 -0.074 0.000 1.131 208 R CA 1.775 57.773 56.100 -0.169 0.000 0.955 208 R CB -0.363 29.920 30.300 -0.028 0.000 0.851 208 R HN 0.405 nan 8.270 nan 0.000 0.432 209 R N 0.832 121.317 120.500 -0.024 0.000 2.081 209 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 209 R C 1.454 177.652 176.300 -0.170 0.000 1.131 209 R CA 1.986 58.037 56.100 -0.081 0.000 0.960 209 R CB -0.088 30.157 30.300 -0.092 0.000 0.856 209 R HN 0.141 nan 8.270 nan 0.000 0.436 210 D N 0.335 120.656 120.400 -0.132 0.000 2.117 210 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 210 D C 1.496 177.742 176.300 -0.090 0.000 0.987 210 D CA 1.367 55.290 54.000 -0.128 0.000 0.829 210 D CB -0.078 40.719 40.800 -0.005 0.000 0.961 210 D HN 0.459 nan 8.370 nan 0.000 0.460 211 E N 0.292 120.443 120.200 -0.081 0.000 2.299 211 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 211 E C 1.817 178.406 176.600 -0.019 0.000 0.998 211 E CA 0.101 56.480 56.400 -0.035 0.000 0.851 211 E CB 0.142 29.829 29.700 -0.023 0.000 0.795 211 E HN 0.390 nan 8.360 nan 0.000 0.492 212 E N 1.170 121.345 120.200 -0.042 0.000 2.072 212 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 212 E C 2.039 178.638 176.600 -0.002 0.000 0.985 212 E CA 0.741 57.133 56.400 -0.013 0.000 0.801 212 E CB 0.048 29.721 29.700 -0.044 0.000 0.750 212 E HN 0.207 nan 8.360 nan 0.000 0.452 213 I N 1.114 121.628 120.570 -0.093 0.000 2.286 213 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 213 I C 2.178 178.306 176.117 0.018 0.000 1.115 213 I CA 1.195 62.439 61.300 -0.094 0.000 1.392 213 I CB -0.234 37.604 38.000 -0.270 0.000 1.065 213 I HN 0.121 nan 8.210 nan 0.000 0.418 214 E N 0.696 120.905 120.200 0.016 0.000 2.106 214 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 214 E C 1.510 178.139 176.600 0.049 0.000 0.984 214 E CA 0.880 57.304 56.400 0.040 0.000 0.806 214 E CB -0.148 29.571 29.700 0.032 0.000 0.750 214 E HN 0.479 nan 8.360 nan 0.000 0.458 215 N N 0.038 118.770 118.700 0.054 0.000 2.412 215 N HA -0.011 4.729 4.740 -0.000 0.000 0.184 215 N C -0.312 175.235 175.510 0.063 0.000 1.101 215 N CA 0.181 53.258 53.050 0.045 0.000 0.881 215 N CB 0.160 38.668 38.487 0.035 0.000 0.969 215 N HN 0.018 nan 8.380 nan 0.000 0.459 216 F N 2.031 121.956 119.950 -0.042 0.000 2.410 216 F HA 0.243 4.770 4.527 -0.000 0.000 0.348 216 F C 0.209 175.987 175.800 -0.036 0.000 1.106 216 F CA -0.854 57.118 58.000 -0.047 0.000 1.163 216 F CB 0.777 39.740 39.000 -0.063 0.000 1.129 216 F HN -0.283 nan 8.300 nan 0.000 0.516 217 V N 3.398 123.063 119.914 -0.415 0.000 2.628 217 V HA 0.836 4.956 4.120 -0.000 0.000 0.306 217 V C 0.039 175.959 176.094 -0.290 0.000 1.045 217 V CA -1.217 60.950 62.300 -0.222 0.000 0.905 217 V CB 0.776 32.496 31.823 -0.172 0.000 0.997 217 V HN 1.029 nan 8.190 nan 0.000 0.436 218 A N 3.096 125.894 122.820 -0.036 0.000 2.540 218 A HA 0.497 4.817 4.320 -0.000 0.000 0.239 218 A C 0.209 177.771 177.584 -0.038 0.000 1.061 218 A CA 0.194 52.250 52.037 0.031 0.000 0.758 218 A CB 0.084 19.125 19.000 0.068 0.000 0.991 218 A HN 0.969 nan 8.150 nan 0.000 0.502 219 K N 2.033 122.432 120.400 -0.003 0.000 2.581 219 K HA 0.194 4.514 4.320 -0.000 0.000 0.249 219 K C -1.684 174.964 176.600 0.081 0.000 0.966 219 K CA -0.581 55.697 56.287 -0.016 0.000 0.811 219 K CB 1.229 33.657 32.500 -0.121 0.000 1.223 219 K HN 0.820 nan 8.250 nan 0.000 0.438 220 D N 4.792 125.220 120.400 0.047 0.000 2.308 220 D HA 0.263 4.903 4.640 -0.000 0.000 0.251 220 D C -0.377 175.836 176.300 -0.145 0.000 1.127 220 D CA 0.341 54.312 54.000 -0.050 0.000 0.876 220 D CB 0.624 41.367 40.800 -0.095 0.000 1.176 220 D HN 0.345 nan 8.370 nan 0.000 0.446 221 F N -0.124 119.435 119.950 -0.652 0.000 2.643 221 F HA 0.723 5.250 4.527 -0.000 0.000 0.314 221 F C -1.673 173.630 175.800 -0.828 0.000 1.096 221 F CA -1.263 56.373 58.000 -0.607 0.000 0.953 221 F CB 1.258 40.135 39.000 -0.205 0.000 1.345 221 F HN -0.007 nan 8.300 nan 0.000 0.468 222 F N 0.503 120.467 119.950 0.022 0.000 2.556 222 F HA 0.540 5.067 4.527 -0.000 0.000 0.314 222 F C -0.534 175.283 175.800 0.028 0.000 1.106 222 F CA -0.758 57.218 58.000 -0.039 0.000 0.911 222 F CB 2.282 41.306 39.000 0.040 0.000 1.190 222 F HN 0.515 nan 8.300 nan 0.000 0.448 223 E N 1.451 121.761 120.200 0.183 0.000 2.227 223 E HA 0.658 5.008 4.350 -0.000 0.000 0.268 223 E C -1.435 175.309 176.600 0.239 0.000 0.907 223 E CA -1.052 55.457 56.400 0.181 0.000 0.786 223 E CB 3.014 32.766 29.700 0.085 0.000 1.191 223 E HN 0.291 nan 8.360 nan 0.000 0.411 224 V N 2.956 123.060 119.914 0.315 0.000 2.347 224 V HA 0.241 4.361 4.120 -0.000 0.000 0.280 224 V C -0.122 176.183 176.094 0.352 0.000 1.021 224 V CA -0.637 61.863 62.300 0.333 0.000 0.847 224 V CB 1.031 33.095 31.823 0.402 0.000 0.990 224 V HN 0.509 nan 8.190 nan 0.000 0.444 225 K N 4.277 124.839 120.400 0.269 0.000 2.354 225 K HA 0.645 4.965 4.320 -0.000 0.000 0.257 225 K C 0.027 176.762 176.600 0.225 0.000 1.062 225 K CA -0.418 56.005 56.287 0.227 0.000 0.971 225 K CB 1.019 33.598 32.500 0.131 0.000 1.305 225 K HN 0.812 nan 8.250 nan 0.000 0.449 226 A N 4.836 127.780 122.820 0.207 0.000 2.409 226 A HA 0.160 4.480 4.320 -0.000 0.000 0.267 226 A C -0.597 176.972 177.584 -0.025 0.000 1.127 226 A CA -0.224 51.823 52.037 0.017 0.000 0.795 226 A CB 0.040 18.832 19.000 -0.346 0.000 1.061 226 A HN 0.776 nan 8.150 nan 0.000 0.502 227 H N 3.266 122.266 119.070 -0.118 0.000 2.604 227 H HA 0.280 4.836 4.556 -0.000 0.000 0.306 227 H C -0.237 174.942 175.328 -0.248 0.000 1.075 227 H CA -0.309 55.653 56.048 -0.145 0.000 1.357 227 H CB 0.837 30.539 29.762 -0.101 0.000 1.426 227 H HN 0.436 nan 8.280 nan 0.000 0.470 228 I N 3.027 123.391 120.570 -0.343 0.000 2.707 228 I HA 0.297 4.467 4.170 -0.000 0.000 0.309 228 I C 0.231 176.085 176.117 -0.439 0.000 1.001 228 I CA -0.799 60.196 61.300 -0.509 0.000 1.129 228 I CB 2.067 39.505 38.000 -0.937 0.000 1.308 228 I HN 0.269 nan 8.210 nan 0.000 0.466 229 V N 3.187 122.919 119.914 -0.304 0.000 2.851 229 V HA 0.567 4.687 4.120 -0.000 0.000 0.307 229 V C -0.260 175.770 176.094 -0.106 0.000 1.129 229 V CA -0.231 61.964 62.300 -0.175 0.000 0.932 229 V CB 2.293 34.053 31.823 -0.105 0.000 1.024 229 V HN 1.025 nan 8.190 nan 0.000 0.426 230 T N 3.704 118.237 114.554 -0.037 0.000 2.927 230 T HA 0.580 4.930 4.350 -0.000 0.000 0.281 230 T C -1.792 172.907 174.700 -0.001 0.000 0.998 230 T CA -1.574 60.532 62.100 0.009 0.000 1.019 230 T CB 1.508 70.417 68.868 0.068 0.000 1.061 230 T HN 0.498 nan 8.240 nan 0.000 0.518 231 P HA -0.111 nan 4.420 nan 0.000 0.219 231 P C 0.798 178.098 177.300 -0.001 0.000 1.151 231 P CA 1.608 64.706 63.100 -0.002 0.000 0.850 231 P CB -0.188 31.512 31.700 -0.000 0.000 0.784 232 A N -1.440 121.384 122.820 0.007 0.000 2.577 232 A HA 0.160 4.480 4.320 -0.000 0.000 0.280 232 A C 0.068 177.658 177.584 0.009 0.000 1.331 232 A CA -0.116 51.925 52.037 0.007 0.000 0.935 232 A CB -0.779 18.226 19.000 0.009 0.000 1.082 232 A HN 0.029 nan 8.150 nan 0.000 0.525 233 D N 0.442 120.845 120.400 0.004 0.000 2.751 233 D HA -0.151 4.489 4.640 -0.000 0.000 0.233 233 D C -0.202 176.106 176.300 0.014 0.000 1.149 233 D CA 1.385 55.386 54.000 0.001 0.000 0.682 233 D CB -1.253 39.546 40.800 -0.003 0.000 1.068 233 D HN 0.774 nan 8.370 nan 0.000 0.429 234 E N 0.116 120.337 120.200 0.034 0.000 2.259 234 E HA 0.411 4.761 4.350 -0.000 0.000 0.281 234 E C 0.491 177.133 176.600 0.071 0.000 1.027 234 E CA -0.253 56.191 56.400 0.073 0.000 0.838 234 E CB 1.351 31.119 29.700 0.113 0.000 1.066 234 E HN 0.065 nan 8.360 nan 0.000 0.401 235 R N 2.828 123.372 120.500 0.074 0.000 2.562 235 R HA 0.536 4.876 4.340 -0.000 0.000 0.298 235 R C -0.846 175.533 176.300 0.132 0.000 0.961 235 R CA -0.511 55.594 56.100 0.009 0.000 0.881 235 R CB 0.822 31.120 30.300 -0.003 0.000 1.159 235 R HN 0.468 nan 8.270 nan 0.000 0.450 236 F N -2.013 117.940 119.950 0.005 0.000 3.016 236 F HA 0.617 5.144 4.527 -0.000 0.000 0.324 236 F C -1.168 174.607 175.800 -0.042 0.000 1.196 236 F CA -0.958 57.037 58.000 -0.008 0.000 0.929 236 F CB 1.465 40.473 39.000 0.012 0.000 1.440 236 F HN 0.153 nan 8.300 nan 0.000 0.505 237 T N 1.031 115.772 114.554 0.313 0.000 2.861 237 T HA 0.815 5.165 4.350 -0.000 0.000 0.287 237 T C -0.894 174.000 174.700 0.323 0.000 1.003 237 T CA -0.325 61.833 62.100 0.096 0.000 0.977 237 T CB 1.484 70.319 68.868 -0.054 0.000 0.996 237 T HN 0.955 nan 8.240 nan 0.000 0.448 238 A N 2.881 125.850 122.820 0.249 0.000 2.386 238 A HA 0.940 5.260 4.320 -0.000 0.000 0.308 238 A C -1.025 176.780 177.584 0.367 0.000 1.128 238 A CA -0.742 51.498 52.037 0.339 0.000 0.789 238 A CB 0.960 20.211 19.000 0.419 0.000 1.325 238 A HN 0.818 nan 8.150 nan 0.000 0.437 239 I N 0.357 121.144 120.570 0.361 0.000 2.509 239 I HA 0.258 4.428 4.170 -0.000 0.000 0.293 239 I C -0.968 175.256 176.117 0.178 0.000 1.020 239 I CA -0.420 61.056 61.300 0.293 0.000 1.088 239 I CB 1.729 39.821 38.000 0.153 0.000 1.267 239 I HN 0.842 nan 8.210 nan 0.000 0.430 240 W N 6.624 127.802 121.300 -0.204 0.000 2.303 240 W HA 0.149 4.809 4.660 -0.000 0.000 0.318 240 W C -0.342 175.967 176.519 -0.350 0.000 1.362 240 W CA -0.428 56.466 57.345 -0.752 0.000 1.234 240 W CB 0.589 29.665 29.460 -0.641 0.000 1.248 240 W HN 0.362 nan 8.180 nan 0.000 0.546 241 Q N 8.004 127.409 119.800 -0.660 0.000 2.569 241 Q HA 0.238 4.578 4.340 -0.000 0.000 0.226 241 Q C -2.065 173.358 176.000 -0.962 0.000 1.136 241 Q CA -1.938 53.498 55.803 -0.612 0.000 0.947 241 Q CB 0.415 28.989 28.738 -0.273 0.000 1.218 241 Q HN 0.271 nan 8.270 nan 0.000 0.547 242 P HA -0.102 nan 4.420 nan 0.000 0.263 242 P C 0.326 177.353 177.300 -0.456 0.000 1.175 242 P CA 0.530 62.849 63.100 -1.302 0.000 0.761 242 P CB 0.634 31.725 31.700 -1.015 0.000 0.794 243 S N 2.023 117.634 115.700 -0.149 0.000 2.587 243 S HA -0.034 4.436 4.470 -0.000 0.000 0.260 243 S C 1.382 175.964 174.600 -0.031 0.000 1.353 243 S CA -0.356 57.833 58.200 -0.019 0.000 0.995 243 S CB 0.186 63.445 63.200 0.098 0.000 0.912 243 S HN 0.603 nan 8.310 nan 0.000 0.568 244 E N 1.254 121.447 120.200 -0.012 0.000 2.516 244 E HA -0.011 4.339 4.350 -0.000 0.000 0.199 244 E C 0.876 177.481 176.600 0.008 0.000 1.069 244 E CA 0.850 57.242 56.400 -0.013 0.000 0.876 244 E CB -0.379 29.313 29.700 -0.013 0.000 0.843 244 E HN 0.559 nan 8.360 nan 0.000 0.530 245 A N -0.002 122.842 122.820 0.040 0.000 2.423 245 A HA 0.215 4.535 4.320 -0.000 0.000 0.246 245 A C 1.382 179.032 177.584 0.110 0.000 1.278 245 A CA -0.262 51.813 52.037 0.064 0.000 0.903 245 A CB -0.344 18.706 19.000 0.083 0.000 0.997 245 A HN 0.377 nan 8.150 nan 0.000 0.510 246 C N 0.018 119.379 119.300 0.101 0.000 3.104 246 C HA 0.165 4.625 4.460 -0.000 0.000 0.284 246 C C 1.889 176.938 174.990 0.098 0.000 1.326 246 C CA -0.375 58.759 59.018 0.194 0.000 1.725 246 C CB -0.568 27.263 27.740 0.153 0.000 2.156 246 C HN 0.611 nan 8.230 nan 0.000 0.638 247 E N 2.526 122.725 120.200 -0.001 0.000 2.113 247 E HA -0.236 4.114 4.350 -0.000 0.000 0.210 247 E C -0.500 176.028 176.600 -0.120 0.000 1.040 247 E CA 1.890 58.258 56.400 -0.054 0.000 0.847 247 E CB -1.698 27.964 29.700 -0.063 0.000 0.755 247 E HN 0.475 nan 8.360 nan 0.000 0.459 248 P HA -0.125 nan 4.420 nan 0.000 0.220 248 P C 1.042 178.084 177.300 -0.430 0.000 1.148 248 P CA 1.247 64.082 63.100 -0.441 0.000 0.803 248 P CB -0.240 31.013 31.700 -0.745 0.000 0.782 249 Y N -0.530 119.764 120.300 -0.011 0.000 2.510 249 Y HA 0.081 4.631 4.550 -0.000 0.000 0.273 249 Y C 1.396 177.339 175.900 0.072 0.000 1.119 249 Y CA -0.360 57.757 58.100 0.028 0.000 1.286 249 Y CB -0.350 38.155 38.460 0.075 0.000 1.061 249 Y HN 0.039 nan 8.280 nan 0.000 0.542 250 Q N 1.623 121.505 119.800 0.136 0.000 2.271 250 Q HA 0.235 4.575 4.340 -0.000 0.000 0.258 250 Q C -1.174 174.843 176.000 0.029 0.000 0.936 250 Q CA -0.960 54.898 55.803 0.091 0.000 0.909 250 Q CB 1.682 30.450 28.738 0.051 0.000 1.253 250 Q HN 0.233 nan 8.270 nan 0.000 0.440 251 D N 1.639 122.053 120.400 0.023 0.000 2.423 251 D HA -0.129 4.511 4.640 -0.000 0.000 0.238 251 D C 0.996 177.273 176.300 -0.038 0.000 1.142 251 D CA 0.255 54.243 54.000 -0.020 0.000 0.884 251 D CB 0.966 41.738 40.800 -0.045 0.000 1.199 251 D HN 0.723 nan 8.370 nan 0.000 0.438 252 E N 1.949 122.122 120.200 -0.045 0.000 2.253 252 E HA -0.332 4.018 4.350 -0.000 0.000 0.202 252 E C 0.814 177.383 176.600 -0.051 0.000 1.014 252 E CA 1.280 57.652 56.400 -0.046 0.000 0.823 252 E CB -0.315 29.358 29.700 -0.045 0.000 0.736 252 E HN 0.605 nan 8.360 nan 0.000 0.478 253 E N 0.168 120.331 120.200 -0.061 0.000 2.511 253 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 253 E C 1.340 177.902 176.600 -0.062 0.000 1.066 253 E CA 0.725 57.084 56.400 -0.067 0.000 0.871 253 E CB 0.507 30.152 29.700 -0.091 0.000 0.863 253 E HN 0.605 nan 8.360 nan 0.000 0.520 254 G N 1.862 110.630 108.800 -0.052 0.000 2.176 254 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.232 254 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.232 254 G C 0.279 175.164 174.900 -0.025 0.000 0.986 254 G CA -0.158 44.913 45.100 -0.048 0.000 0.643 254 G HN 0.208 nan 8.290 nan 0.000 0.522 255 R N -0.267 120.226 120.500 -0.012 0.000 2.390 255 R HA 0.567 4.907 4.340 -0.000 0.000 0.291 255 R C -0.152 176.224 176.300 0.127 0.000 1.070 255 R CA -0.695 55.447 56.100 0.071 0.000 1.014 255 R CB 1.124 31.388 30.300 -0.060 0.000 1.007 255 R HN 0.148 nan 8.270 nan 0.000 0.466 256 L N 4.166 125.520 121.223 0.218 0.000 2.281 256 L HA 0.159 4.499 4.340 -0.000 0.000 0.285 256 L C 0.284 177.368 176.870 0.356 0.000 1.074 256 L CA 0.455 55.450 54.840 0.258 0.000 0.817 256 L CB 0.987 43.202 42.059 0.261 0.000 1.168 256 L HN 0.702 nan 8.230 nan 0.000 0.434 257 L N 3.416 124.846 121.223 0.345 0.000 2.515 257 L HA 0.186 4.526 4.340 -0.000 0.000 0.223 257 L C 0.023 177.185 176.870 0.487 0.000 1.079 257 L CA -0.145 54.913 54.840 0.363 0.000 0.857 257 L CB -0.143 42.062 42.059 0.244 0.000 1.050 257 L HN 0.581 nan 8.230 nan 0.000 0.476 258 H N 0.229 119.496 119.070 0.329 0.000 2.690 258 H HA 0.171 4.727 4.556 -0.000 0.000 0.289 258 H C 0.963 176.343 175.328 0.087 0.000 1.089 258 H CA -0.394 55.782 56.048 0.213 0.000 1.299 258 H CB 0.924 30.799 29.762 0.188 0.000 1.405 258 H HN -0.098 nan 8.280 nan 0.000 0.463 259 R N 5.457 125.787 120.500 -0.284 0.000 2.070 259 R HA -0.034 4.306 4.340 -0.000 0.000 0.233 259 R C -1.036 175.012 176.300 -0.419 0.000 1.137 259 R CA 1.455 57.148 56.100 -0.677 0.000 0.945 259 R CB -1.173 28.537 30.300 -0.983 0.000 0.845 259 R HN 0.517 nan 8.270 nan 0.000 0.430 260 P HA -0.153 nan 4.420 nan 0.000 0.218 260 P C 1.061 178.290 177.300 -0.117 0.000 1.146 260 P CA 1.004 63.962 63.100 -0.236 0.000 0.820 260 P CB -0.066 31.492 31.700 -0.237 0.000 0.778 261 L N -1.167 120.008 121.223 -0.079 0.000 2.217 261 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 261 L C 2.157 179.050 176.870 0.040 0.000 1.107 261 L CA 1.415 56.236 54.840 -0.031 0.000 0.783 261 L CB -1.166 40.850 42.059 -0.071 0.000 0.919 261 L HN -0.127 nan 8.230 nan 0.000 0.442 262 A N -0.825 122.010 122.820 0.024 0.000 1.873 262 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 262 A C 2.126 179.677 177.584 -0.055 0.000 1.186 262 A CA 1.432 53.486 52.037 0.030 0.000 0.616 262 A CB -0.484 18.526 19.000 0.015 0.000 0.823 262 A HN 0.466 nan 8.150 nan 0.000 0.442 263 E N -0.585 119.563 120.200 -0.088 0.000 2.085 263 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 263 E C 1.844 178.406 176.600 -0.064 0.000 0.994 263 E CA 1.830 58.179 56.400 -0.085 0.000 0.801 263 E CB -0.550 29.092 29.700 -0.097 0.000 0.743 263 E HN 0.901 nan 8.360 nan 0.000 0.453 264 H N 0.587 119.581 119.070 -0.126 0.000 2.387 264 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 264 H C 1.963 177.197 175.328 -0.157 0.000 1.090 264 H CA 1.458 57.433 56.048 -0.122 0.000 1.332 264 H CB 0.118 29.815 29.762 -0.109 0.000 1.386 264 H HN -0.082 nan 8.280 nan 0.000 0.516 265 V N -0.500 119.290 119.914 -0.207 0.000 2.453 265 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 265 V C 2.489 178.429 176.094 -0.256 0.000 1.048 265 V CA 1.197 63.282 62.300 -0.358 0.000 1.049 265 V CB -0.334 31.061 31.823 -0.714 0.000 0.672 265 V HN 0.322 nan 8.190 nan 0.000 0.457 266 V N 1.319 121.130 119.914 -0.171 0.000 2.282 266 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 266 V C 2.305 178.308 176.094 -0.152 0.000 1.057 266 V CA 2.464 64.692 62.300 -0.119 0.000 1.032 266 V CB -0.886 30.887 31.823 -0.084 0.000 0.645 266 V HN 0.614 nan 8.190 nan 0.000 0.447 267 N N 0.106 118.696 118.700 -0.184 0.000 2.270 267 N HA -0.086 4.654 4.740 -0.000 0.000 0.181 267 N C 1.845 177.225 175.510 -0.217 0.000 1.016 267 N CA 0.959 53.898 53.050 -0.185 0.000 0.870 267 N CB -0.397 37.982 38.487 -0.180 0.000 0.979 267 N HN 0.456 nan 8.380 nan 0.000 0.431 268 R N 0.626 120.949 120.500 -0.295 0.000 2.280 268 R HA 0.092 4.432 4.340 -0.000 0.000 0.207 268 R C 1.819 178.010 176.300 -0.182 0.000 1.043 268 R CA 0.585 56.530 56.100 -0.259 0.000 1.006 268 R CB -0.103 30.005 30.300 -0.320 0.000 0.885 268 R HN 0.449 nan 8.270 nan 0.000 0.467 269 I N -3.583 116.877 120.570 -0.183 0.000 3.616 269 I HA 0.164 4.334 4.170 -0.000 0.000 0.296 269 I C 0.391 176.407 176.117 -0.169 0.000 1.226 269 I CA -0.145 61.042 61.300 -0.189 0.000 1.394 269 I CB 0.179 38.025 38.000 -0.257 0.000 1.171 269 I HN -0.283 nan 8.210 nan 0.000 0.442 270 S N 2.446 118.059 115.700 -0.146 0.000 2.555 270 S HA 0.321 4.791 4.470 -0.000 0.000 0.293 270 S C 1.235 175.769 174.600 -0.110 0.000 1.248 270 S CA 0.842 58.967 58.200 -0.125 0.000 1.096 270 S CB 0.128 63.261 63.200 -0.112 0.000 0.881 270 S HN 0.869 nan 8.310 nan 0.000 0.498 271 G N 2.759 111.495 108.800 -0.107 0.000 2.179 271 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 271 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 271 G C -0.052 174.796 174.900 -0.086 0.000 0.977 271 G CA -0.251 44.796 45.100 -0.089 0.000 0.641 271 G HN 0.596 nan 8.290 nan 0.000 0.533 272 Q N 0.407 120.146 119.800 -0.101 0.000 2.260 272 Q HA 0.454 4.794 4.340 -0.000 0.000 0.242 272 Q C -2.352 173.595 176.000 -0.088 0.000 0.932 272 Q CA -1.939 53.810 55.803 -0.090 0.000 0.891 272 Q CB 0.871 29.550 28.738 -0.099 0.000 1.222 272 Q HN 0.200 nan 8.270 nan 0.000 0.453 273 P HA 0.062 nan 4.420 nan 0.000 0.267 273 P C -1.224 176.043 177.300 -0.055 0.000 1.200 273 P CA 0.134 63.204 63.100 -0.050 0.000 0.772 273 P CB 0.512 32.195 31.700 -0.028 0.000 0.855 274 A N 4.348 127.141 122.820 -0.045 0.000 2.431 274 A HA 0.450 4.770 4.320 -0.000 0.000 0.318 274 A C -0.298 177.300 177.584 0.023 0.000 1.330 274 A CA -0.576 51.441 52.037 -0.033 0.000 0.804 274 A CB -0.074 18.883 19.000 -0.071 0.000 1.135 274 A HN 0.335 nan 8.150 nan 0.000 0.483 275 I N 2.529 123.125 120.570 0.042 0.000 2.474 275 I HA 0.138 4.308 4.170 -0.000 0.000 0.287 275 I C 0.311 176.482 176.117 0.090 0.000 1.048 275 I CA -0.337 60.998 61.300 0.058 0.000 1.383 275 I CB 1.381 39.413 38.000 0.053 0.000 1.412 275 I HN 0.241 nan 8.210 nan 0.000 0.531 276 V N 7.257 127.226 119.914 0.092 0.000 2.415 276 V HA 0.024 4.144 4.120 -0.000 0.000 0.267 276 V C 1.457 177.613 176.094 0.104 0.000 1.042 276 V CA 0.222 62.591 62.300 0.115 0.000 1.000 276 V CB 0.454 32.343 31.823 0.110 0.000 1.015 276 V HN 0.911 nan 8.190 nan 0.000 0.478 277 T N 3.333 117.956 114.554 0.114 0.000 2.668 277 T HA -0.035 4.315 4.350 -0.000 0.000 0.262 277 T C 0.808 175.564 174.700 0.093 0.000 1.045 277 T CA 1.563 63.722 62.100 0.099 0.000 1.152 277 T CB 0.074 69.005 68.868 0.105 0.000 0.864 277 T HN 0.807 nan 8.240 nan 0.000 0.419 278 S N -0.776 114.987 115.700 0.106 0.000 2.596 278 S HA 0.634 5.104 4.470 -0.000 0.000 0.270 278 S C -1.805 172.893 174.600 0.162 0.000 1.155 278 S CA -1.069 57.198 58.200 0.112 0.000 0.827 278 S CB 1.897 65.140 63.200 0.072 0.000 1.130 278 S HN 0.354 nan 8.310 nan 0.000 0.467 279 Y N 1.469 121.782 120.300 0.020 0.000 2.457 279 Y HA 0.668 5.218 4.550 -0.000 0.000 0.343 279 Y C -1.173 174.731 175.900 0.006 0.000 0.994 279 Y CA -0.502 57.603 58.100 0.008 0.000 1.031 279 Y CB 1.759 40.224 38.460 0.007 0.000 1.246 279 Y HN 0.956 nan 8.280 nan 0.000 0.449 280 N N 4.077 122.390 118.700 -0.644 0.000 2.287 280 N HA 0.206 4.945 4.740 -0.000 0.000 0.289 280 N C -2.298 172.889 175.510 -0.539 0.000 1.066 280 N CA -0.463 52.342 53.050 -0.407 0.000 0.841 280 N CB 2.107 40.477 38.487 -0.196 0.000 1.599 280 N HN 0.856 nan 8.380 nan 0.000 0.476 281 D N 1.734 121.971 120.400 -0.273 0.000 2.363 281 D HA 0.186 4.826 4.640 -0.000 0.000 0.258 281 D C -0.993 175.262 176.300 -0.075 0.000 1.259 281 D CA -0.390 53.513 54.000 -0.163 0.000 0.921 281 D CB 0.517 41.292 40.800 -0.041 0.000 1.201 281 D HN 0.053 nan 8.370 nan 0.000 0.524 282 K N 2.164 122.515 120.400 -0.081 0.000 2.201 282 K HA 0.328 4.648 4.320 -0.000 0.000 0.278 282 K C 0.372 176.943 176.600 -0.049 0.000 1.027 282 K CA -0.653 55.603 56.287 -0.051 0.000 0.909 282 K CB 1.542 34.013 32.500 -0.048 0.000 1.062 282 K HN 0.497 nan 8.250 nan 0.000 0.465 283 R N 2.152 122.630 120.500 -0.036 0.000 2.298 283 R HA 0.127 4.467 4.340 -0.000 0.000 0.310 283 R C -0.524 175.774 176.300 -0.005 0.000 1.068 283 R CA -0.265 55.814 56.100 -0.035 0.000 0.957 283 R CB 0.373 30.650 30.300 -0.038 0.000 1.003 283 R HN 0.598 nan 8.270 nan 0.000 0.454 284 E N 2.404 122.622 120.200 0.028 0.000 2.216 284 E HA 0.239 4.588 4.350 -0.000 0.000 0.260 284 E C -1.204 175.481 176.600 0.141 0.000 0.880 284 E CA -0.955 55.479 56.400 0.058 0.000 0.765 284 E CB 1.670 31.382 29.700 0.020 0.000 1.174 284 E HN 0.708 nan 8.360 nan 0.000 0.417 285 S N 2.565 118.331 115.700 0.110 0.000 2.554 285 S HA 0.307 4.777 4.470 -0.000 0.000 0.278 285 S C -0.167 174.546 174.600 0.189 0.000 1.242 285 S CA -0.886 57.403 58.200 0.148 0.000 1.051 285 S CB 0.952 64.207 63.200 0.090 0.000 0.986 285 S HN 0.663 nan 8.310 nan 0.000 0.502 286 E N 1.814 122.192 120.200 0.297 0.000 2.176 286 E HA 0.525 4.875 4.350 -0.000 0.000 0.267 286 E C -0.795 176.040 176.600 0.391 0.000 0.893 286 E CA -0.771 55.820 56.400 0.317 0.000 0.761 286 E CB 1.332 31.266 29.700 0.390 0.000 1.133 286 E HN 0.425 nan 8.360 nan 0.000 0.409 287 S N 1.875 117.676 115.700 0.168 0.000 2.566 287 S HA 0.261 4.730 4.470 -0.000 0.000 0.280 287 S C 0.351 174.741 174.600 -0.349 0.000 1.343 287 S CA -0.096 58.102 58.200 -0.004 0.000 1.036 287 S CB 0.662 63.809 63.200 -0.089 0.000 0.866 287 S HN 0.735 nan 8.310 nan 0.000 0.526 288 A N 4.197 126.545 122.820 -0.786 0.000 2.507 288 A HA 0.364 4.684 4.320 -0.000 0.000 0.235 288 A C -2.037 174.952 177.584 -0.993 0.000 1.070 288 A CA -0.847 50.244 52.037 -1.578 0.000 0.768 288 A CB -0.618 17.859 19.000 -0.871 0.000 1.011 288 A HN 0.532 nan 8.150 nan 0.000 0.502 289 P HA 0.313 nan 4.420 nan 0.000 0.274 289 P C -0.399 176.577 177.300 -0.539 0.000 1.237 289 P CA -0.293 62.445 63.100 -0.603 0.000 0.793 289 P CB 0.417 31.830 31.700 -0.479 0.000 0.977 290 L N 2.492 123.444 121.223 -0.451 0.000 2.467 290 L HA 0.201 4.541 4.340 -0.000 0.000 0.270 290 L C -1.765 174.794 176.870 -0.520 0.000 1.205 290 L CA -1.743 52.800 54.840 -0.496 0.000 0.828 290 L CB -0.502 41.242 42.059 -0.526 0.000 1.101 290 L HN 0.262 nan 8.230 nan 0.000 0.479 291 P HA -0.056 nan 4.420 nan 0.000 0.269 291 P C -0.739 176.370 177.300 -0.319 0.000 1.211 291 P CA 0.205 63.031 63.100 -0.458 0.000 0.781 291 P CB 0.250 31.746 31.700 -0.341 0.000 0.877 292 F N 0.161 120.044 119.950 -0.113 0.000 2.443 292 F HA 0.104 4.631 4.527 -0.000 0.000 0.353 292 F C 1.681 177.435 175.800 -0.077 0.000 1.101 292 F CA -0.201 57.746 58.000 -0.088 0.000 1.226 292 F CB 0.484 39.452 39.000 -0.054 0.000 1.140 292 F HN 0.274 nan 8.300 nan 0.000 0.557 293 S N 3.404 119.200 115.700 0.161 0.000 2.681 293 S HA 0.198 4.668 4.470 -0.000 0.000 0.270 293 S C 0.837 175.455 174.600 0.030 0.000 1.209 293 S CA -0.933 57.309 58.200 0.071 0.000 0.988 293 S CB 1.272 64.497 63.200 0.042 0.000 1.006 293 S HN 0.674 nan 8.310 nan 0.000 0.558 294 L N 1.705 122.908 121.223 -0.033 0.000 1.990 294 L HA -0.102 4.238 4.340 -0.000 0.000 0.213 294 L C 2.557 179.376 176.870 -0.086 0.000 1.072 294 L CA 2.279 57.069 54.840 -0.084 0.000 0.755 294 L CB -1.516 40.478 42.059 -0.109 0.000 0.889 294 L HN 0.880 nan 8.230 nan 0.000 0.432 295 S N -0.350 115.320 115.700 -0.049 0.000 2.377 295 S HA -0.313 4.157 4.470 -0.000 0.000 0.224 295 S C 2.056 176.624 174.600 -0.053 0.000 1.042 295 S CA 1.698 59.875 58.200 -0.038 0.000 1.086 295 S CB -0.887 62.309 63.200 -0.007 0.000 0.995 295 S HN 0.722 nan 8.310 nan 0.000 0.428 296 A N 0.845 123.655 122.820 -0.016 0.000 1.940 296 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 296 A C 2.146 179.587 177.584 -0.238 0.000 1.176 296 A CA 1.684 53.731 52.037 0.018 0.000 0.631 296 A CB -0.684 18.457 19.000 0.235 0.000 0.814 296 A HN 0.444 nan 8.150 nan 0.000 0.446 297 L N -0.371 120.574 121.223 -0.464 0.000 2.056 297 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 297 L C 2.387 179.007 176.870 -0.416 0.000 1.078 297 L CA 2.325 56.651 54.840 -0.857 0.000 0.749 297 L CB -0.836 40.830 42.059 -0.655 0.000 0.901 297 L HN 0.495 nan 8.230 nan 0.000 0.433 298 Q N -0.340 119.323 119.800 -0.229 0.000 2.030 298 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 298 Q C 2.291 178.230 176.000 -0.103 0.000 0.986 298 Q CA 2.486 58.211 55.803 -0.130 0.000 0.843 298 Q CB -0.302 28.384 28.738 -0.087 0.000 0.904 298 Q HN 0.588 nan 8.270 nan 0.000 0.420 299 I N 0.352 120.866 120.570 -0.093 0.000 2.127 299 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 299 I C 2.420 178.505 176.117 -0.053 0.000 1.075 299 I CA 1.326 62.598 61.300 -0.047 0.000 1.334 299 I CB -0.216 37.775 38.000 -0.014 0.000 1.040 299 I HN 0.226 nan 8.210 nan 0.000 0.405 300 E N 1.226 121.370 120.200 -0.093 0.000 2.153 300 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 300 E C 2.013 178.567 176.600 -0.075 0.000 0.988 300 E CA 1.539 57.899 56.400 -0.066 0.000 0.811 300 E CB -0.137 29.541 29.700 -0.036 0.000 0.746 300 E HN 0.438 nan 8.360 nan 0.000 0.466 301 A N 0.422 123.195 122.820 -0.079 0.000 2.014 301 A HA 0.089 4.408 4.320 -0.000 0.000 0.218 301 A C 2.344 179.957 177.584 0.049 0.000 1.163 301 A CA 1.530 53.596 52.037 0.048 0.000 0.652 301 A CB -0.730 18.300 19.000 0.050 0.000 0.808 301 A HN 0.363 nan 8.150 nan 0.000 0.449 302 A N 0.453 123.271 122.820 -0.003 0.000 1.845 302 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 302 A C 2.109 179.683 177.584 -0.017 0.000 1.195 302 A CA 1.817 53.855 52.037 0.001 0.000 0.616 302 A CB -0.527 18.470 19.000 -0.005 0.000 0.832 302 A HN 0.513 nan 8.150 nan 0.000 0.443 303 K N -0.920 119.456 120.400 -0.039 0.000 2.001 303 K HA -0.166 4.154 4.320 -0.000 0.000 0.214 303 K C 2.355 178.880 176.600 -0.126 0.000 1.050 303 K CA 1.551 57.803 56.287 -0.058 0.000 0.934 303 K CB -0.267 32.206 32.500 -0.044 0.000 0.718 303 K HN 0.225 nan 8.250 nan 0.000 0.443 304 R N -0.129 120.224 120.500 -0.245 0.000 2.075 304 R HA -0.046 4.294 4.340 -0.000 0.000 0.232 304 R C 2.020 177.948 176.300 -0.620 0.000 1.126 304 R CA 1.534 57.297 56.100 -0.563 0.000 0.963 304 R CB -0.213 29.508 30.300 -0.965 0.000 0.858 304 R HN 0.298 nan 8.270 nan 0.000 0.435 305 F N -2.051 117.902 119.950 0.007 0.000 2.784 305 F HA 0.277 4.804 4.527 -0.000 0.000 0.323 305 F C 1.254 177.052 175.800 -0.003 0.000 1.085 305 F CA 0.216 58.218 58.000 0.004 0.000 1.196 305 F CB 0.774 39.777 39.000 0.004 0.000 1.053 305 F HN 0.177 nan 8.300 nan 0.000 0.578 306 G N 1.952 110.825 108.800 0.122 0.000 2.153 306 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 306 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 306 G C 0.040 174.978 174.900 0.063 0.000 0.994 306 G CA -0.200 44.940 45.100 0.067 0.000 0.698 306 G HN 0.249 nan 8.290 nan 0.000 0.521 307 L N 1.791 123.067 121.223 0.089 0.000 2.367 307 L HA 0.452 4.792 4.340 -0.000 0.000 0.275 307 L C 1.449 178.330 176.870 0.018 0.000 1.129 307 L CA -0.036 54.835 54.840 0.051 0.000 0.839 307 L CB 1.152 43.248 42.059 0.062 0.000 1.133 307 L HN 0.435 nan 8.230 nan 0.000 0.453 308 S N 1.935 117.634 115.700 -0.001 0.000 2.585 308 S HA 0.262 4.731 4.470 -0.000 0.000 0.273 308 S C 1.197 175.784 174.600 -0.022 0.000 1.339 308 S CA -0.232 57.958 58.200 -0.016 0.000 1.028 308 S CB 1.577 64.761 63.200 -0.026 0.000 0.906 308 S HN 0.714 nan 8.310 nan 0.000 0.528 309 A N 1.257 124.061 122.820 -0.028 0.000 1.917 309 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 309 A C 2.256 179.818 177.584 -0.036 0.000 1.182 309 A CA 2.230 54.246 52.037 -0.035 0.000 0.633 309 A CB -1.289 17.689 19.000 -0.035 0.000 0.819 309 A HN 0.894 nan 8.150 nan 0.000 0.448 310 Q N 0.109 119.890 119.800 -0.033 0.000 2.079 310 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 310 Q C 1.975 177.958 176.000 -0.029 0.000 0.974 310 Q CA 1.994 57.779 55.803 -0.031 0.000 0.840 310 Q CB -0.429 28.292 28.738 -0.029 0.000 0.898 310 Q HN 0.657 nan 8.270 nan 0.000 0.430 311 N N -0.733 117.951 118.700 -0.026 0.000 2.166 311 N HA -0.104 4.635 4.740 -0.000 0.000 0.186 311 N C 1.481 176.977 175.510 -0.024 0.000 1.019 311 N CA 1.358 54.394 53.050 -0.022 0.000 0.856 311 N CB 0.031 38.508 38.487 -0.018 0.000 0.993 311 N HN 0.203 nan 8.380 nan 0.000 0.426 312 V N 1.019 120.916 119.914 -0.028 0.000 2.453 312 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 312 V C 2.344 178.412 176.094 -0.042 0.000 1.048 312 V CA 0.792 63.071 62.300 -0.035 0.000 1.049 312 V CB -0.430 31.366 31.823 -0.045 0.000 0.672 312 V HN 0.227 nan 8.190 nan 0.000 0.457 313 L N 0.382 121.577 121.223 -0.046 0.000 2.093 313 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 313 L C 2.045 178.892 176.870 -0.038 0.000 1.085 313 L CA 1.921 56.730 54.840 -0.053 0.000 0.755 313 L CB -0.951 41.076 42.059 -0.054 0.000 0.904 313 L HN 0.277 nan 8.230 nan 0.000 0.435 314 D N -0.215 120.167 120.400 -0.029 0.000 2.084 314 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 314 D C 2.324 178.614 176.300 -0.017 0.000 0.990 314 D CA 1.936 55.922 54.000 -0.023 0.000 0.826 314 D CB -0.129 40.658 40.800 -0.022 0.000 0.971 314 D HN 0.410 nan 8.370 nan 0.000 0.453 315 I N 0.532 121.094 120.570 -0.013 0.000 2.208 315 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 315 I C 2.598 178.725 176.117 0.017 0.000 1.097 315 I CA 0.748 62.048 61.300 0.001 0.000 1.363 315 I CB -0.123 37.876 38.000 -0.001 0.000 1.051 315 I HN 0.070 nan 8.210 nan 0.000 0.413 316 C N 0.149 119.453 119.300 0.006 0.000 2.425 316 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 316 C C 2.851 177.870 174.990 0.048 0.000 1.280 316 C CA 0.664 59.694 59.018 0.020 0.000 1.744 316 C CB -0.974 26.748 27.740 -0.029 0.000 1.989 316 C HN 0.511 nan 8.230 nan 0.000 0.491 317 Q N 0.663 120.477 119.800 0.024 0.000 2.084 317 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 317 Q C 2.176 178.202 176.000 0.043 0.000 0.978 317 Q CA 1.387 57.228 55.803 0.062 0.000 0.844 317 Q CB -0.316 28.437 28.738 0.025 0.000 0.898 317 Q HN 0.680 nan 8.270 nan 0.000 0.426 318 K N 0.951 121.335 120.400 -0.026 0.000 2.025 318 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 318 K C 2.186 178.689 176.600 -0.162 0.000 1.049 318 K CA 0.622 56.826 56.287 -0.139 0.000 0.933 318 K CB -0.113 32.301 32.500 -0.144 0.000 0.714 318 K HN 0.072 nan 8.250 nan 0.000 0.438 319 L N 0.060 121.291 121.223 0.013 0.000 2.081 319 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 319 L C 2.411 179.356 176.870 0.124 0.000 1.080 319 L CA 1.478 56.388 54.840 0.117 0.000 0.754 319 L CB -0.446 41.716 42.059 0.172 0.000 0.893 319 L HN 0.347 nan 8.230 nan 0.000 0.433 320 Y N 0.401 120.697 120.300 -0.006 0.000 2.231 320 Y HA -0.122 4.428 4.550 -0.000 0.000 0.294 320 Y C 2.411 178.302 175.900 -0.015 0.000 1.120 320 Y CA 1.442 59.550 58.100 0.014 0.000 1.141 320 Y CB 0.032 38.509 38.460 0.028 0.000 1.022 320 Y HN 0.132 nan 8.280 nan 0.000 0.523 321 E N -1.269 118.812 120.200 -0.198 0.000 2.102 321 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 321 E C 1.829 178.272 176.600 -0.262 0.000 0.971 321 E CA 1.386 57.601 56.400 -0.307 0.000 0.821 321 E CB 0.103 29.713 29.700 -0.150 0.000 0.777 321 E HN 0.360 nan 8.360 nan 0.000 0.460 322 T N 0.051 114.446 114.554 -0.265 0.000 2.904 322 T HA -0.008 4.342 4.350 -0.000 0.000 0.243 322 T C 1.443 176.016 174.700 -0.212 0.000 1.024 322 T CA 0.651 62.573 62.100 -0.297 0.000 1.158 322 T CB -0.113 68.480 68.868 -0.458 0.000 0.867 322 T HN 0.149 nan 8.240 nan 0.000 0.429 323 H N 1.518 120.531 119.070 -0.094 0.000 2.551 323 H HA 0.284 4.840 4.556 -0.000 0.000 0.266 323 H C 0.665 175.923 175.328 -0.118 0.000 0.964 323 H CA 0.230 56.213 56.048 -0.109 0.000 1.180 323 H CB -0.075 29.613 29.762 -0.123 0.000 1.408 323 H HN 0.419 nan 8.280 nan 0.000 0.563 324 K N 0.417 120.801 120.400 -0.025 0.000 3.016 324 K HA -0.192 4.128 4.320 -0.000 0.000 0.262 324 K C 0.702 177.312 176.600 0.017 0.000 1.043 324 K CA 0.348 56.608 56.287 -0.045 0.000 0.761 324 K CB -1.636 30.822 32.500 -0.071 0.000 1.230 324 K HN 0.290 nan 8.250 nan 0.000 0.485 325 L N -0.079 121.169 121.223 0.042 0.000 2.416 325 L HA 0.211 4.551 4.340 -0.000 0.000 0.216 325 L C 1.414 178.419 176.870 0.224 0.000 1.098 325 L CA 0.272 55.132 54.840 0.035 0.000 0.840 325 L CB -0.002 41.947 42.059 -0.182 0.000 0.981 325 L HN 0.343 nan 8.230 nan 0.000 0.462 326 I N -3.839 116.881 120.570 0.251 0.000 3.023 326 I HA 0.518 4.688 4.170 -0.000 0.000 0.312 326 I C 0.440 176.771 176.117 0.357 0.000 1.056 326 I CA -0.728 60.731 61.300 0.264 0.000 1.033 326 I CB 1.823 39.953 38.000 0.217 0.000 1.233 326 I HN -0.140 nan 8.210 nan 0.000 0.462 327 T N -0.179 114.550 114.554 0.293 0.000 2.814 327 T HA 0.226 4.576 4.350 -0.000 0.000 0.284 327 T C -0.198 174.480 174.700 -0.037 0.000 0.998 327 T CA -0.236 62.050 62.100 0.309 0.000 0.935 327 T CB 0.388 69.487 68.868 0.386 0.000 1.167 327 T HN 0.623 nan 8.240 nan 0.000 0.545 328 Y N 3.196 123.246 120.300 -0.418 0.000 2.713 328 Y HA 0.228 4.778 4.550 -0.000 0.000 0.341 328 Y C -1.576 174.032 175.900 -0.487 0.000 1.167 328 Y CA -2.028 55.533 58.100 -0.898 0.000 1.503 328 Y CB 0.649 38.792 38.460 -0.527 0.000 1.199 328 Y HN 0.413 nan 8.280 nan 0.000 0.525 329 P HA -0.020 nan 4.420 nan 0.000 0.249 329 P C -0.096 176.856 177.300 -0.579 0.000 1.229 329 P CA 0.734 63.532 63.100 -0.505 0.000 0.788 329 P CB 0.269 31.790 31.700 -0.298 0.000 1.072 330 R N -0.215 119.660 120.500 -1.043 0.000 2.555 330 R HA 0.249 4.589 4.340 -0.000 0.000 0.272 330 R C 0.635 176.624 176.300 -0.518 0.000 1.089 330 R CA -0.049 55.633 56.100 -0.698 0.000 1.126 330 R CB -0.186 29.761 30.300 -0.589 0.000 1.250 330 R HN 0.033 nan 8.270 nan 0.000 0.551 331 S N 1.920 117.378 115.700 -0.403 0.000 2.513 331 S HA 0.048 4.518 4.470 -0.000 0.000 0.276 331 S C 0.690 175.321 174.600 0.052 0.000 1.254 331 S CA -0.759 57.424 58.200 -0.027 0.000 1.053 331 S CB 0.953 64.208 63.200 0.091 0.000 0.958 331 S HN 0.378 nan 8.310 nan 0.000 0.491 332 D N 2.446 122.953 120.400 0.179 0.000 2.360 332 D HA 0.054 4.694 4.640 -0.000 0.000 0.210 332 D C 0.739 177.104 176.300 0.108 0.000 1.047 332 D CA -0.175 53.899 54.000 0.123 0.000 0.854 332 D CB -0.645 40.232 40.800 0.129 0.000 0.936 332 D HN 0.331 nan 8.370 nan 0.000 0.514 333 C N 0.905 120.273 119.300 0.114 0.000 2.466 333 C HA 0.469 4.929 4.460 -0.000 0.000 0.379 333 C C 1.164 176.168 174.990 0.024 0.000 1.251 333 C CA -0.600 58.442 59.018 0.039 0.000 2.263 333 C CB 0.076 27.765 27.740 -0.086 0.000 2.511 333 C HN 0.273 nan 8.230 nan 0.000 0.573 334 R N 2.296 122.777 120.500 -0.031 0.000 2.543 334 R HA 0.199 4.539 4.340 -0.000 0.000 0.323 334 R C -1.050 174.952 176.300 -0.497 0.000 1.002 334 R CA 0.041 55.998 56.100 -0.238 0.000 1.106 334 R CB 0.387 30.495 30.300 -0.319 0.000 1.280 334 R HN 0.707 nan 8.270 nan 0.000 0.549 335 Y N 0.133 120.355 120.300 -0.131 0.000 2.587 335 Y HA 0.498 5.048 4.550 -0.000 0.000 0.337 335 Y C 0.128 175.910 175.900 -0.198 0.000 1.065 335 Y CA -0.949 57.033 58.100 -0.195 0.000 1.126 335 Y CB 1.525 39.896 38.460 -0.149 0.000 1.279 335 Y HN -0.228 nan 8.280 nan 0.000 0.489 336 L N 3.726 124.860 121.223 -0.149 0.000 2.342 336 L HA 0.572 4.912 4.340 -0.000 0.000 0.271 336 L C -2.493 174.351 176.870 -0.043 0.000 1.008 336 L CA -2.324 52.370 54.840 -0.244 0.000 0.818 336 L CB 1.942 43.687 42.059 -0.524 0.000 1.296 336 L HN 0.337 nan 8.230 nan 0.000 0.427 337 P HA 0.080 nan 4.420 nan 0.000 0.272 337 P C -0.200 177.273 177.300 0.289 0.000 1.223 337 P CA -0.149 62.996 63.100 0.076 0.000 0.784 337 P CB 0.815 32.538 31.700 0.039 0.000 0.923 338 E N 1.021 121.381 120.200 0.268 0.000 2.204 338 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 338 E C 1.609 178.371 176.600 0.271 0.000 0.989 338 E CA 1.011 57.585 56.400 0.289 0.000 0.824 338 E CB -0.027 29.762 29.700 0.149 0.000 0.756 338 E HN 0.652 nan 8.360 nan 0.000 0.477 339 E N 0.103 120.465 120.200 0.271 0.000 2.333 339 E HA -0.212 4.137 4.350 -0.000 0.000 0.198 339 E C 1.315 178.096 176.600 0.302 0.000 1.007 339 E CA 1.056 57.605 56.400 0.249 0.000 0.845 339 E CB -0.188 29.645 29.700 0.222 0.000 0.766 339 E HN 0.336 nan 8.360 nan 0.000 0.507 340 H N -0.684 118.537 119.070 0.251 0.000 2.524 340 H HA 0.037 4.593 4.556 -0.000 0.000 0.282 340 H C 1.213 176.668 175.328 0.212 0.000 1.016 340 H CA 0.914 57.140 56.048 0.298 0.000 1.270 340 H CB -0.221 29.799 29.762 0.431 0.000 1.394 340 H HN 0.273 nan 8.280 nan 0.000 0.568 341 F N 1.160 121.050 119.950 -0.100 0.000 2.161 341 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 341 F C 2.370 177.990 175.800 -0.300 0.000 1.089 341 F CA 1.206 58.779 58.000 -0.712 0.000 1.282 341 F CB -0.375 38.061 39.000 -0.940 0.000 1.010 341 F HN 0.147 nan 8.300 nan 0.000 0.485 342 A N -0.081 122.677 122.820 -0.102 0.000 2.070 342 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 342 A C 2.212 179.706 177.584 -0.150 0.000 1.159 342 A CA 1.342 53.306 52.037 -0.121 0.000 0.656 342 A CB -1.612 17.395 19.000 0.011 0.000 0.800 342 A HN 0.465 nan 8.150 nan 0.000 0.453 343 G N -0.205 108.532 108.800 -0.105 0.000 3.327 343 G HA2 0.140 4.100 3.960 -0.000 0.000 0.240 343 G HA3 0.140 4.100 3.960 -0.000 0.000 0.240 343 G C 1.262 176.116 174.900 -0.076 0.000 1.222 343 G CA 0.343 45.404 45.100 -0.067 0.000 0.871 343 G HN 0.751 nan 8.290 nan 0.000 0.525 344 R N -0.741 119.602 120.500 -0.262 0.000 2.092 344 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 344 R C 1.663 177.796 176.300 -0.278 0.000 1.119 344 R CA 1.366 57.319 56.100 -0.245 0.000 0.970 344 R CB -0.624 29.297 30.300 -0.632 0.000 0.864 344 R HN 0.453 nan 8.270 nan 0.000 0.440 345 H N 1.111 120.095 119.070 -0.143 0.000 2.363 345 H HA 0.136 4.692 4.556 -0.000 0.000 0.301 345 H C 2.366 177.657 175.328 -0.061 0.000 1.074 345 H CA 1.314 57.293 56.048 -0.115 0.000 1.354 345 H CB -0.008 29.685 29.762 -0.115 0.000 1.397 345 H HN 0.419 nan 8.280 nan 0.000 0.516 346 A N 0.722 123.576 122.820 0.056 0.000 1.877 346 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 346 A C 2.523 180.119 177.584 0.019 0.000 1.186 346 A CA 1.770 53.826 52.037 0.031 0.000 0.620 346 A CB -0.889 18.122 19.000 0.019 0.000 0.822 346 A HN 0.235 nan 8.150 nan 0.000 0.443 347 V N -0.028 119.886 119.914 0.001 0.000 2.343 347 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 347 V C 2.630 178.714 176.094 -0.017 0.000 1.051 347 V CA 2.215 64.488 62.300 -0.044 0.000 1.036 347 V CB -0.762 30.951 31.823 -0.184 0.000 0.654 347 V HN 0.565 nan 8.190 nan 0.000 0.451 348 M N 0.153 119.767 119.600 0.024 0.000 2.213 348 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 348 M C 2.233 178.555 176.300 0.037 0.000 1.062 348 M CA 1.685 57.013 55.300 0.047 0.000 1.105 348 M CB -0.693 31.915 32.600 0.013 0.000 1.385 348 M HN 0.502 nan 8.290 nan 0.000 0.417 349 N N 0.806 119.521 118.700 0.026 0.000 2.188 349 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 349 N C 1.624 177.129 175.510 -0.008 0.000 1.018 349 N CA 1.429 54.484 53.050 0.008 0.000 0.858 349 N CB 0.148 38.638 38.487 0.006 0.000 0.989 349 N HN 0.300 nan 8.380 nan 0.000 0.426 350 A N 1.647 124.482 122.820 0.025 0.000 1.873 350 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 350 A C 2.302 179.927 177.584 0.067 0.000 1.186 350 A CA 0.867 52.933 52.037 0.049 0.000 0.616 350 A CB -0.727 18.383 19.000 0.183 0.000 0.823 350 A HN 0.330 nan 8.150 nan 0.000 0.442 351 I N 1.010 121.682 120.570 0.171 0.000 2.248 351 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 351 I C 2.787 178.981 176.117 0.129 0.000 1.107 351 I CA 1.789 63.234 61.300 0.242 0.000 1.373 351 I CB -0.247 37.855 38.000 0.169 0.000 1.055 351 I HN 0.529 nan 8.210 nan 0.000 0.418 352 S N -0.156 115.566 115.700 0.037 0.000 2.453 352 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 352 S C 1.845 176.404 174.600 -0.068 0.000 1.005 352 S CA 0.738 58.940 58.200 0.004 0.000 0.949 352 S CB -0.480 62.719 63.200 -0.001 0.000 0.774 352 S HN 0.256 nan 8.310 nan 0.000 0.510 353 V N 1.901 121.698 119.914 -0.195 0.000 2.346 353 V HA -0.056 4.064 4.120 -0.000 0.000 0.244 353 V C 2.497 178.376 176.094 -0.358 0.000 1.037 353 V CA 1.602 63.689 62.300 -0.356 0.000 1.029 353 V CB -0.774 30.677 31.823 -0.621 0.000 0.663 353 V HN 0.631 nan 8.190 nan 0.000 0.454 354 H N -0.051 118.988 119.070 -0.051 0.000 2.547 354 H HA 0.429 4.985 4.556 -0.000 0.000 0.272 354 H C 1.190 176.490 175.328 -0.045 0.000 0.971 354 H CA 0.935 56.867 56.048 -0.192 0.000 1.245 354 H CB 0.368 29.757 29.762 -0.621 0.000 1.440 354 H HN 0.442 nan 8.280 nan 0.000 0.540 355 A N 2.725 125.685 122.820 0.234 0.000 3.165 355 A HA 0.303 4.623 4.320 -0.000 0.000 0.331 355 A C -1.675 175.989 177.584 0.133 0.000 1.034 355 A CA -1.223 50.959 52.037 0.241 0.000 0.906 355 A CB 0.449 19.667 19.000 0.364 0.000 1.054 355 A HN -0.018 nan 8.150 nan 0.000 0.484 356 P HA -0.163 nan 4.420 nan 0.000 0.219 356 P C 0.274 177.605 177.300 0.051 0.000 1.146 356 P CA 1.209 64.333 63.100 0.040 0.000 0.808 356 P CB 0.258 31.967 31.700 0.016 0.000 0.779 357 D N -0.979 119.461 120.400 0.067 0.000 2.349 357 D HA 0.057 4.697 4.640 -0.000 0.000 0.224 357 D C 1.848 178.194 176.300 0.076 0.000 1.029 357 D CA 0.347 54.386 54.000 0.065 0.000 0.879 357 D CB -0.087 40.754 40.800 0.067 0.000 0.906 357 D HN 0.271 nan 8.370 nan 0.000 0.528 358 L N -0.444 120.833 121.223 0.090 0.000 2.375 358 L HA 0.161 4.501 4.340 -0.000 0.000 0.215 358 L C 0.672 177.591 176.870 0.082 0.000 1.108 358 L CA 0.578 55.477 54.840 0.097 0.000 0.830 358 L CB 0.295 42.427 42.059 0.122 0.000 0.959 358 L HN -0.104 nan 8.230 nan 0.000 0.457 359 L N -0.431 120.833 121.223 0.068 0.000 2.393 359 L HA 0.449 4.789 4.340 -0.000 0.000 0.260 359 L C -2.278 174.615 176.870 0.038 0.000 1.002 359 L CA -1.810 53.062 54.840 0.053 0.000 0.818 359 L CB 2.170 44.260 42.059 0.052 0.000 1.369 359 L HN -0.181 nan 8.230 nan 0.000 0.412 360 P HA 0.122 nan 4.420 nan 0.000 0.271 360 P C -1.461 175.861 177.300 0.037 0.000 1.218 360 P CA -0.340 62.777 63.100 0.029 0.000 0.780 360 P CB 1.355 33.067 31.700 0.020 0.000 0.901 361 Q N 3.059 122.884 119.800 0.041 0.000 2.337 361 Q HA 0.325 4.665 4.340 -0.000 0.000 0.260 361 Q C -2.272 173.755 176.000 0.045 0.000 0.982 361 Q CA -1.869 53.962 55.803 0.048 0.000 0.734 361 Q CB 1.452 30.229 28.738 0.065 0.000 1.272 361 Q HN 0.090 nan 8.270 nan 0.000 0.461 362 P HA -0.187 nan 4.420 nan 0.000 0.216 362 P C 0.956 178.281 177.300 0.042 0.000 1.150 362 P CA 0.921 64.041 63.100 0.033 0.000 0.843 362 P CB 0.334 32.049 31.700 0.024 0.000 0.787 363 V N -0.852 119.091 119.914 0.047 0.000 2.594 363 V HA -0.114 4.006 4.120 -0.000 0.000 0.253 363 V C 1.286 177.434 176.094 0.090 0.000 1.069 363 V CA 0.896 63.232 62.300 0.059 0.000 1.082 363 V CB -0.666 31.187 31.823 0.051 0.000 0.680 363 V HN -0.063 nan 8.190 nan 0.000 0.469 364 V N 1.999 121.969 119.914 0.093 0.000 2.485 364 V HA 0.078 4.198 4.120 -0.000 0.000 0.287 364 V C -0.012 176.142 176.094 0.099 0.000 1.022 364 V CA 0.282 62.653 62.300 0.118 0.000 1.067 364 V CB 0.853 32.734 31.823 0.097 0.000 0.967 364 V HN 0.454 nan 8.190 nan 0.000 0.479 365 D N 7.435 127.926 120.400 0.151 0.000 2.446 365 D HA 0.392 5.032 4.640 -0.000 0.000 0.251 365 D C -1.851 174.559 176.300 0.183 0.000 1.137 365 D CA -2.164 51.917 54.000 0.135 0.000 0.890 365 D CB 2.124 43.004 40.800 0.133 0.000 1.071 365 D HN 0.194 nan 8.370 nan 0.000 0.528 366 P HA -0.033 nan 4.420 nan 0.000 0.228 366 P C 0.581 177.974 177.300 0.156 0.000 1.151 366 P CA 0.522 63.569 63.100 -0.088 0.000 0.770 366 P CB 0.462 32.045 31.700 -0.195 0.000 0.786 367 D N -0.502 120.016 120.400 0.197 0.000 2.219 367 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 367 D C 0.850 177.334 176.300 0.306 0.000 0.970 367 D CA 0.573 54.712 54.000 0.231 0.000 0.851 367 D CB -0.469 40.419 40.800 0.147 0.000 0.943 367 D HN 0.224 nan 8.370 nan 0.000 0.488 368 I N 1.011 121.779 120.570 0.329 0.000 2.598 368 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 368 I C 0.855 177.129 176.117 0.262 0.000 1.140 368 I CA 0.122 61.569 61.300 0.244 0.000 1.420 368 I CB 0.554 38.673 38.000 0.199 0.000 1.387 368 I HN -0.277 nan 8.210 nan 0.000 0.553 369 R N 6.657 127.155 120.500 -0.003 0.000 2.312 369 R HA 0.212 4.552 4.340 -0.000 0.000 0.310 369 R C -0.124 176.141 176.300 -0.059 0.000 1.064 369 R CA -0.617 55.329 56.100 -0.257 0.000 0.983 369 R CB 0.349 30.084 30.300 -0.940 0.000 1.139 369 R HN 0.777 nan 8.270 nan 0.000 0.536 370 N N 3.160 121.916 118.700 0.093 0.000 2.452 370 N HA 0.013 4.753 4.740 -0.000 0.000 0.296 370 N C 0.714 176.274 175.510 0.083 0.000 1.304 370 N CA -0.240 52.833 53.050 0.039 0.000 0.956 370 N CB 0.225 38.676 38.487 -0.059 0.000 1.106 370 N HN 0.577 nan 8.380 nan 0.000 0.555 371 R N -1.131 119.368 120.500 -0.003 0.000 2.189 371 R HA 0.007 4.347 4.340 -0.000 0.000 0.218 371 R C 2.006 178.345 176.300 0.066 0.000 1.074 371 R CA 1.295 57.414 56.100 0.032 0.000 0.991 371 R CB -1.246 29.070 30.300 0.026 0.000 0.883 371 R HN 0.662 nan 8.270 nan 0.000 0.457 372 C N -0.272 118.938 119.300 -0.150 0.000 2.432 372 C HA 0.077 4.537 4.460 -0.000 0.000 0.282 372 C C 0.428 175.266 174.990 -0.254 0.000 1.388 372 C CA -1.185 57.645 59.018 -0.314 0.000 1.777 372 C CB -1.291 26.017 27.740 -0.720 0.000 1.882 372 C HN 0.527 nan 8.230 nan 0.000 0.520 373 W N 2.257 123.565 121.300 0.014 0.000 2.416 373 W HA 0.561 5.221 4.660 -0.000 0.000 0.318 373 W C 0.030 176.542 176.519 -0.012 0.000 1.150 373 W CA -0.237 57.110 57.345 0.003 0.000 1.392 373 W CB 0.052 29.482 29.460 -0.050 0.000 1.311 373 W HN 0.198 nan 8.180 nan 0.000 0.436 374 D N 2.592 123.075 120.400 0.138 0.000 2.452 374 D HA 0.005 4.645 4.640 -0.000 0.000 0.226 374 D C 0.283 176.567 176.300 -0.026 0.000 1.366 374 D CA -0.218 53.783 54.000 0.001 0.000 0.986 374 D CB 1.198 41.899 40.800 -0.164 0.000 1.420 374 D HN 0.217 nan 8.370 nan 0.000 0.583 375 D N 1.877 122.276 120.400 -0.001 0.000 2.178 375 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 375 D C 1.413 177.684 176.300 -0.047 0.000 0.980 375 D CA 0.830 54.828 54.000 -0.002 0.000 0.842 375 D CB 0.466 41.277 40.800 0.017 0.000 0.948 375 D HN 0.437 nan 8.370 nan 0.000 0.472 376 K N 0.255 120.605 120.400 -0.083 0.000 2.439 376 K HA -0.006 4.314 4.320 -0.000 0.000 0.197 376 K C 1.380 177.889 176.600 -0.151 0.000 1.041 376 K CA 0.607 56.832 56.287 -0.104 0.000 0.970 376 K CB 0.279 32.716 32.500 -0.106 0.000 0.773 376 K HN 0.004 nan 8.250 nan 0.000 0.479 377 K N 0.766 121.039 120.400 -0.212 0.000 2.414 377 K HA 0.079 4.399 4.320 -0.000 0.000 0.204 377 K C -0.467 176.050 176.600 -0.139 0.000 1.026 377 K CA -0.104 56.012 56.287 -0.285 0.000 1.108 377 K CB 1.195 33.252 32.500 -0.738 0.000 0.855 377 K HN -0.052 nan 8.250 nan 0.000 0.517 378 V N -2.284 117.581 119.914 -0.082 0.000 2.680 378 V HA 0.416 4.536 4.120 -0.000 0.000 0.309 378 V C -0.221 175.837 176.094 -0.061 0.000 1.052 378 V CA -0.874 61.392 62.300 -0.056 0.000 0.908 378 V CB 2.103 33.929 31.823 0.005 0.000 1.001 378 V HN -0.066 nan 8.190 nan 0.000 0.431 379 D N 3.615 123.956 120.400 -0.099 0.000 2.825 379 D HA 0.342 4.982 4.640 -0.000 0.000 0.249 379 D C 1.545 177.863 176.300 0.030 0.000 1.286 379 D CA 0.709 54.690 54.000 -0.033 0.000 1.168 379 D CB 0.611 41.403 40.800 -0.013 0.000 0.926 379 D HN 0.709 nan 8.370 nan 0.000 0.216 380 A N 0.431 123.319 122.820 0.112 0.000 2.195 380 A HA 0.020 4.340 4.320 -0.000 0.000 0.210 380 A C 0.666 178.359 177.584 0.181 0.000 1.165 380 A CA 0.558 52.711 52.037 0.193 0.000 0.806 380 A CB -0.382 18.784 19.000 0.276 0.000 0.847 380 A HN 0.507 nan 8.150 nan 0.000 0.482 381 H N -1.544 117.546 119.070 0.033 0.000 2.894 381 H HA 0.706 5.262 4.556 -0.000 0.000 0.368 381 H C -0.941 174.379 175.328 -0.013 0.000 1.181 381 H CA -0.255 55.766 56.048 -0.045 0.000 1.146 381 H CB 0.848 30.639 29.762 0.049 0.000 1.839 381 H HN 0.427 nan 8.280 nan 0.000 0.557 382 H N -0.455 118.672 119.070 0.094 0.000 2.943 382 H HA 0.700 5.256 4.556 -0.000 0.000 0.323 382 H C -0.566 174.782 175.328 0.033 0.000 1.296 382 H CA -0.647 55.395 56.048 -0.011 0.000 1.155 382 H CB 0.341 30.064 29.762 -0.066 0.000 1.882 382 H HN 0.914 nan 8.280 nan 0.000 0.553 383 A N 0.517 123.478 122.820 0.235 0.000 2.547 383 A HA 0.244 4.564 4.320 -0.000 0.000 0.233 383 A C 0.147 177.876 177.584 0.242 0.000 1.067 383 A CA -0.137 51.983 52.037 0.138 0.000 0.763 383 A CB -0.703 18.282 19.000 -0.026 0.000 1.007 383 A HN 0.564 nan 8.150 nan 0.000 0.506 384 I N 2.027 122.684 120.570 0.144 0.000 2.452 384 I HA 0.311 4.481 4.170 -0.000 0.000 0.287 384 I C 0.167 176.371 176.117 0.144 0.000 1.079 384 I CA 0.448 61.828 61.300 0.133 0.000 1.387 384 I CB -0.255 37.791 38.000 0.077 0.000 1.404 384 I HN 0.585 nan 8.210 nan 0.000 0.522 385 I N 4.687 125.348 120.570 0.151 0.000 2.994 385 I HA 0.653 4.823 4.170 -0.000 0.000 0.306 385 I C -2.912 173.226 176.117 0.034 0.000 1.195 385 I CA -2.825 58.525 61.300 0.082 0.000 1.001 385 I CB 2.083 40.148 38.000 0.108 0.000 1.244 385 I HN 0.141 nan 8.210 nan 0.000 0.437 386 P HA 0.139 nan 4.420 nan 0.000 0.268 386 P C -0.172 177.148 177.300 0.033 0.000 1.205 386 P CA 0.006 63.100 63.100 -0.010 0.000 0.771 386 P CB 0.509 32.159 31.700 -0.085 0.000 0.858 387 T N -0.816 113.818 114.554 0.133 0.000 2.729 387 T HA 0.395 4.745 4.350 -0.000 0.000 0.298 387 T C 1.147 175.903 174.700 0.094 0.000 1.013 387 T CA -0.125 62.047 62.100 0.119 0.000 0.957 387 T CB 0.261 69.208 68.868 0.132 0.000 1.130 387 T HN 0.285 nan 8.240 nan 0.000 0.526 388 A N -0.467 122.399 122.820 0.076 0.000 2.251 388 A HA 0.263 4.583 4.320 -0.000 0.000 0.209 388 A C 1.259 178.899 177.584 0.093 0.000 1.187 388 A CA -0.287 51.791 52.037 0.068 0.000 0.823 388 A CB -0.643 18.380 19.000 0.037 0.000 0.846 388 A HN 0.801 nan 8.150 nan 0.000 0.486 389 R N 1.052 121.619 120.500 0.112 0.000 2.480 389 R HA 0.097 4.437 4.340 -0.000 0.000 0.303 389 R C 0.980 177.415 176.300 0.224 0.000 0.985 389 R CA 0.878 57.048 56.100 0.118 0.000 1.051 389 R CB 0.362 30.702 30.300 0.067 0.000 0.935 389 R HN 0.371 nan 8.270 nan 0.000 0.410 390 S N 1.012 116.788 115.700 0.127 0.000 2.512 390 S HA 0.021 4.491 4.470 -0.000 0.000 0.216 390 S C 0.215 174.842 174.600 0.044 0.000 1.006 390 S CA -0.055 58.183 58.200 0.063 0.000 0.915 390 S CB 0.254 63.456 63.200 0.004 0.000 0.824 390 S HN 0.579 nan 8.310 nan 0.000 0.497 391 S N 2.109 117.857 115.700 0.078 0.000 2.549 391 S HA 0.668 5.138 4.470 -0.000 0.000 0.279 391 S C 0.327 174.986 174.600 0.098 0.000 1.321 391 S CA -0.404 57.827 58.200 0.051 0.000 1.054 391 S CB 0.704 63.920 63.200 0.028 0.000 0.899 391 S HN 0.681 nan 8.310 nan 0.000 0.497 392 A N 4.032 126.874 122.820 0.036 0.000 2.477 392 A HA 0.557 4.877 4.320 -0.000 0.000 0.246 392 A C 0.153 177.736 177.584 -0.001 0.000 1.078 392 A CA -0.475 51.581 52.037 0.031 0.000 0.770 392 A CB -0.187 18.802 19.000 -0.020 0.000 1.011 392 A HN 0.789 nan 8.150 nan 0.000 0.494 393 I N 1.645 122.195 120.570 -0.033 0.000 2.646 393 I HA 0.244 4.414 4.170 -0.000 0.000 0.299 393 I C -0.319 175.695 176.117 -0.171 0.000 1.036 393 I CA -0.860 60.348 61.300 -0.154 0.000 1.074 393 I CB 1.919 39.728 38.000 -0.318 0.000 1.258 393 I HN 0.694 nan 8.210 nan 0.000 0.430 394 N N 5.678 124.268 118.700 -0.183 0.000 2.469 394 N HA 0.392 5.132 4.740 -0.000 0.000 0.239 394 N C -1.049 174.342 175.510 -0.198 0.000 1.053 394 N CA -0.083 52.880 53.050 -0.146 0.000 0.937 394 N CB 0.190 38.623 38.487 -0.090 0.000 1.163 394 N HN 0.448 nan 8.380 nan 0.000 0.509 395 L N 1.575 122.689 121.223 -0.181 0.000 2.343 395 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 395 L C 1.148 177.966 176.870 -0.087 0.000 1.056 395 L CA -0.962 53.775 54.840 -0.173 0.000 0.804 395 L CB 1.373 43.328 42.059 -0.173 0.000 1.203 395 L HN 0.469 nan 8.230 nan 0.000 0.440 396 T N -2.546 111.975 114.554 -0.054 0.000 2.868 396 T HA 0.098 4.448 4.350 -0.000 0.000 0.292 396 T C 0.964 175.636 174.700 -0.048 0.000 1.028 396 T CA -0.619 61.459 62.100 -0.037 0.000 1.059 396 T CB 1.141 69.998 68.868 -0.018 0.000 0.991 396 T HN 0.627 nan 8.240 nan 0.000 0.531 397 E N 1.094 121.263 120.200 -0.051 0.000 2.086 397 E HA -0.231 4.119 4.350 -0.000 0.000 0.200 397 E C 1.970 178.501 176.600 -0.115 0.000 1.012 397 E CA 1.532 57.889 56.400 -0.072 0.000 0.812 397 E CB -0.156 29.505 29.700 -0.065 0.000 0.743 397 E HN 0.597 nan 8.360 nan 0.000 0.453 398 N N 0.696 119.331 118.700 -0.109 0.000 2.216 398 N HA -0.117 4.623 4.740 -0.000 0.000 0.183 398 N C 1.642 177.094 175.510 -0.097 0.000 1.017 398 N CA 0.811 53.776 53.050 -0.143 0.000 0.861 398 N CB -0.165 38.264 38.487 -0.098 0.000 0.986 398 N HN 0.313 nan 8.380 nan 0.000 0.428 399 E N 1.080 121.256 120.200 -0.039 0.000 2.058 399 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 399 E C 1.986 178.605 176.600 0.031 0.000 0.997 399 E CA 1.209 57.617 56.400 0.013 0.000 0.801 399 E CB -0.130 29.590 29.700 0.033 0.000 0.746 399 E HN 0.325 nan 8.360 nan 0.000 0.450 400 A N 1.999 124.815 122.820 -0.007 0.000 1.851 400 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 400 A C 2.029 179.638 177.584 0.042 0.000 1.195 400 A CA 1.866 53.921 52.037 0.030 0.000 0.622 400 A CB -0.470 18.525 19.000 -0.009 0.000 0.831 400 A HN 0.066 nan 8.150 nan 0.000 0.444 401 K N -0.699 119.633 120.400 -0.113 0.000 2.074 401 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 401 K C 1.835 178.393 176.600 -0.069 0.000 1.048 401 K CA 1.676 57.803 56.287 -0.266 0.000 0.926 401 K CB -0.402 31.570 32.500 -0.880 0.000 0.713 401 K HN 0.318 nan 8.250 nan 0.000 0.444 402 V N 0.103 119.998 119.914 -0.032 0.000 2.488 402 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 402 V C 1.899 178.061 176.094 0.114 0.000 1.046 402 V CA 1.296 63.626 62.300 0.050 0.000 1.053 402 V CB -0.464 31.373 31.823 0.023 0.000 0.679 402 V HN 0.273 nan 8.190 nan 0.000 0.458 403 Y N 1.538 121.862 120.300 0.039 0.000 2.181 403 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 403 Y C 2.640 178.607 175.900 0.111 0.000 1.146 403 Y CA 2.166 60.307 58.100 0.068 0.000 1.164 403 Y CB -0.324 38.163 38.460 0.044 0.000 0.982 403 Y HN 0.262 nan 8.280 nan 0.000 0.515 404 N N 0.596 119.416 118.700 0.200 0.000 2.069 404 N HA -0.210 4.530 4.740 -0.000 0.000 0.191 404 N C 1.880 177.472 175.510 0.137 0.000 1.031 404 N CA 1.879 55.030 53.050 0.169 0.000 0.852 404 N CB -0.367 38.243 38.487 0.205 0.000 1.018 404 N HN 0.486 nan 8.380 nan 0.000 0.423 405 L N 0.656 121.996 121.223 0.196 0.000 2.056 405 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 405 L C 2.450 179.528 176.870 0.346 0.000 1.078 405 L CA 0.753 55.767 54.840 0.290 0.000 0.749 405 L CB -0.350 41.888 42.059 0.299 0.000 0.901 405 L HN 0.156 nan 8.230 nan 0.000 0.433 406 I N -0.084 120.608 120.570 0.202 0.000 2.208 406 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 406 I C 2.744 178.877 176.117 0.028 0.000 1.097 406 I CA 1.383 62.791 61.300 0.180 0.000 1.363 406 I CB -0.382 37.633 38.000 0.025 0.000 1.051 406 I HN 0.214 nan 8.210 nan 0.000 0.413 407 A N 0.267 123.005 122.820 -0.137 0.000 1.929 407 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 407 A C 2.421 180.055 177.584 0.084 0.000 1.176 407 A CA 1.193 53.168 52.037 -0.103 0.000 0.628 407 A CB -0.525 18.323 19.000 -0.253 0.000 0.816 407 A HN 0.294 nan 8.150 nan 0.000 0.444 408 R N -0.846 119.709 120.500 0.092 0.000 2.081 408 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 408 R C 2.357 178.696 176.300 0.066 0.000 1.131 408 R CA 1.915 58.084 56.100 0.116 0.000 0.960 408 R CB -0.209 30.174 30.300 0.139 0.000 0.856 408 R HN 0.542 nan 8.270 nan 0.000 0.436 409 Q N -0.734 119.053 119.800 -0.021 0.000 2.170 409 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 409 Q C 1.618 177.523 176.000 -0.157 0.000 0.976 409 Q CA 1.693 57.338 55.803 -0.262 0.000 0.858 409 Q CB -0.326 27.945 28.738 -0.779 0.000 0.907 409 Q HN 0.479 nan 8.270 nan 0.000 0.433 410 Y N -0.120 120.108 120.300 -0.118 0.000 2.133 410 Y HA -0.174 4.376 4.550 -0.000 0.000 0.287 410 Y C 1.579 177.555 175.900 0.127 0.000 1.134 410 Y CA 1.704 59.792 58.100 -0.019 0.000 1.133 410 Y CB -0.154 38.334 38.460 0.046 0.000 0.987 410 Y HN 0.102 nan 8.280 nan 0.000 0.502 411 L N -0.423 120.957 121.223 0.263 0.000 2.079 411 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 411 L C 2.571 179.552 176.870 0.184 0.000 1.081 411 L CA 1.615 56.615 54.840 0.267 0.000 0.752 411 L CB -0.592 41.605 42.059 0.231 0.000 0.896 411 L HN 0.352 nan 8.230 nan 0.000 0.433 412 M N -0.753 118.889 119.600 0.070 0.000 2.192 412 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 412 M C 2.223 178.484 176.300 -0.064 0.000 1.071 412 M CA 1.571 56.889 55.300 0.030 0.000 1.082 412 M CB -0.282 32.270 32.600 -0.080 0.000 1.373 412 M HN 0.281 nan 8.290 nan 0.000 0.408 413 Q N -0.786 118.889 119.800 -0.208 0.000 2.364 413 Q HA -0.072 4.268 4.340 -0.000 0.000 0.209 413 Q C 1.013 176.772 176.000 -0.401 0.000 0.977 413 Q CA 1.289 56.854 55.803 -0.396 0.000 0.885 413 Q CB -0.292 28.058 28.738 -0.646 0.000 0.941 413 Q HN 0.551 nan 8.270 nan 0.000 0.464 414 F N -0.842 119.105 119.950 -0.006 0.000 2.639 414 F HA 0.155 4.682 4.527 -0.000 0.000 0.300 414 F C 0.336 176.177 175.800 0.069 0.000 1.109 414 F CA -0.572 57.459 58.000 0.053 0.000 1.335 414 F CB 0.511 39.530 39.000 0.032 0.000 1.014 414 F HN -0.149 nan 8.300 nan 0.000 0.537 415 C N 1.210 120.623 119.300 0.187 0.000 2.411 415 C HA 0.529 4.989 4.460 -0.000 0.000 0.330 415 C C -1.870 173.222 174.990 0.169 0.000 1.224 415 C CA -1.913 57.216 59.018 0.185 0.000 1.770 415 C CB 1.175 29.049 27.740 0.223 0.000 2.297 415 C HN 0.074 nan 8.230 nan 0.000 0.507 416 P HA 0.109 nan 4.420 nan 0.000 0.271 416 P C -0.459 176.949 177.300 0.181 0.000 1.238 416 P CA 0.009 63.180 63.100 0.119 0.000 0.794 416 P CB 0.401 32.144 31.700 0.073 0.000 0.959 417 D N -0.460 120.036 120.400 0.161 0.000 2.449 417 D HA 0.178 4.818 4.640 -0.000 0.000 0.236 417 D C 0.346 176.724 176.300 0.129 0.000 1.149 417 D CA 0.451 54.588 54.000 0.230 0.000 0.878 417 D CB 0.072 40.960 40.800 0.145 0.000 1.198 417 D HN 0.328 nan 8.370 nan 0.000 0.446 418 A N 1.784 124.669 122.820 0.108 0.000 2.477 418 A HA 0.354 4.674 4.320 -0.000 0.000 0.246 418 A C -0.170 177.340 177.584 -0.123 0.000 1.078 418 A CA -0.282 51.615 52.037 -0.232 0.000 0.770 418 A CB 0.423 19.160 19.000 -0.437 0.000 1.011 418 A HN 0.319 nan 8.150 nan 0.000 0.494 419 V N 3.305 123.043 119.914 -0.294 0.000 2.487 419 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 419 V C -0.823 175.029 176.094 -0.404 0.000 1.028 419 V CA -0.204 61.981 62.300 -0.192 0.000 0.860 419 V CB 1.102 32.855 31.823 -0.118 0.000 0.991 419 V HN 0.738 nan 8.190 nan 0.000 0.427 420 F N 3.340 123.200 119.950 -0.150 0.000 2.523 420 F HA 0.672 5.199 4.527 -0.000 0.000 0.329 420 F C 0.657 176.288 175.800 -0.283 0.000 1.061 420 F CA -0.906 56.961 58.000 -0.221 0.000 0.967 420 F CB 1.634 40.547 39.000 -0.145 0.000 1.218 420 F HN 0.214 nan 8.300 nan 0.000 0.480 421 R N 1.689 122.024 120.500 -0.276 0.000 2.310 421 R HA 0.328 4.667 4.340 -0.000 0.000 0.324 421 R C -0.819 175.397 176.300 -0.140 0.000 0.955 421 R CA -0.857 55.076 56.100 -0.278 0.000 0.830 421 R CB 1.908 31.916 30.300 -0.487 0.000 1.154 421 R HN 0.554 nan 8.270 nan 0.000 0.458 422 K N 2.611 122.970 120.400 -0.068 0.000 2.211 422 K HA 0.261 4.581 4.320 -0.000 0.000 0.275 422 K C -1.167 175.389 176.600 -0.075 0.000 1.024 422 K CA -0.402 55.856 56.287 -0.048 0.000 0.887 422 K CB 1.263 33.727 32.500 -0.060 0.000 1.084 422 K HN 0.574 nan 8.250 nan 0.000 0.463 423 C N 5.264 124.526 119.300 -0.064 0.000 2.364 423 C HA 0.616 5.076 4.460 -0.000 0.000 0.324 423 C C -1.136 173.751 174.990 -0.171 0.000 1.234 423 C CA -0.417 58.514 59.018 -0.145 0.000 1.417 423 C CB 0.457 28.162 27.740 -0.058 0.000 2.101 423 C HN 0.621 nan 8.230 nan 0.000 0.466 424 V N 7.525 127.285 119.914 -0.256 0.000 2.588 424 V HA 0.594 4.714 4.120 -0.000 0.000 0.304 424 V C -0.347 175.629 176.094 -0.197 0.000 1.042 424 V CA -0.356 61.839 62.300 -0.175 0.000 0.877 424 V CB 1.769 33.524 31.823 -0.113 0.000 0.996 424 V HN 0.746 nan 8.190 nan 0.000 0.425 425 I N 3.374 123.889 120.570 -0.090 0.000 2.466 425 I HA 0.520 4.690 4.170 -0.000 0.000 0.289 425 I C -0.319 175.847 176.117 0.081 0.000 1.026 425 I CA -0.524 60.783 61.300 0.012 0.000 1.078 425 I CB 2.125 40.126 38.000 0.002 0.000 1.249 425 I HN 0.565 nan 8.210 nan 0.000 0.429 426 E N 6.906 127.175 120.200 0.114 0.000 2.171 426 E HA 0.630 4.980 4.350 -0.000 0.000 0.271 426 E C -1.218 175.488 176.600 0.178 0.000 0.916 426 E CA -0.720 55.763 56.400 0.138 0.000 0.774 426 E CB 2.847 32.607 29.700 0.100 0.000 1.128 426 E HN 0.432 nan 8.360 nan 0.000 0.403 427 L N 2.256 123.619 121.223 0.233 0.000 2.365 427 L HA 0.348 4.688 4.340 -0.000 0.000 0.273 427 L C -0.280 176.749 176.870 0.264 0.000 1.000 427 L CA -0.815 54.167 54.840 0.236 0.000 0.819 427 L CB 1.963 44.169 42.059 0.245 0.000 1.284 427 L HN 0.466 nan 8.230 nan 0.000 0.418 428 D N 4.902 125.414 120.400 0.187 0.000 2.443 428 D HA 0.354 4.994 4.640 -0.000 0.000 0.221 428 D C -0.761 175.619 176.300 0.133 0.000 1.097 428 D CA -0.239 53.869 54.000 0.180 0.000 0.865 428 D CB 0.873 41.747 40.800 0.124 0.000 1.034 428 D HN 0.355 nan 8.370 nan 0.000 0.511 429 I N 2.872 123.544 120.570 0.170 0.000 2.428 429 I HA 0.288 4.458 4.170 -0.000 0.000 0.279 429 I C 0.633 176.777 176.117 0.045 0.000 1.040 429 I CA -0.736 60.572 61.300 0.013 0.000 1.171 429 I CB 1.431 39.265 38.000 -0.277 0.000 1.312 429 I HN 0.484 nan 8.210 nan 0.000 0.470 430 A N 5.958 128.791 122.820 0.022 0.000 2.667 430 A HA -0.238 4.082 4.320 -0.000 0.000 0.298 430 A C 0.799 178.420 177.584 0.061 0.000 1.483 430 A CA 1.133 53.181 52.037 0.019 0.000 0.738 430 A CB -1.714 17.270 19.000 -0.027 0.000 1.067 430 A HN 1.153 nan 8.150 nan 0.000 0.451 431 K N -3.046 117.407 120.400 0.089 0.000 3.653 431 K HA 0.040 4.360 4.320 -0.000 0.000 0.275 431 K C 0.233 176.935 176.600 0.169 0.000 0.962 431 K CA 1.501 57.857 56.287 0.115 0.000 0.773 431 K CB -2.134 30.420 32.500 0.089 0.000 1.463 431 K HN 2.269 nan 8.250 nan 0.000 0.450 432 G N 0.526 109.470 108.800 0.240 0.000 2.718 432 G HA2 0.483 4.443 3.960 -0.000 0.000 0.295 432 G HA3 0.483 4.443 3.960 -0.000 0.000 0.295 432 G C -1.779 173.348 174.900 0.379 0.000 1.421 432 G CA -1.105 44.200 45.100 0.342 0.000 0.902 432 G HN 0.265 nan 8.290 nan 0.000 0.501 433 K N 0.510 121.084 120.400 0.289 0.000 2.211 433 K HA 0.664 4.984 4.320 -0.000 0.000 0.275 433 K C -1.475 175.202 176.600 0.128 0.000 1.024 433 K CA -0.540 55.877 56.287 0.215 0.000 0.887 433 K CB 0.760 33.317 32.500 0.095 0.000 1.084 433 K HN 0.248 nan 8.250 nan 0.000 0.463 434 F N 2.859 122.930 119.950 0.203 0.000 2.556 434 F HA 0.385 4.912 4.527 -0.000 0.000 0.314 434 F C -0.717 175.176 175.800 0.155 0.000 1.106 434 F CA -0.780 57.344 58.000 0.206 0.000 0.911 434 F CB 2.120 41.235 39.000 0.193 0.000 1.190 434 F HN 0.080 nan 8.300 nan 0.000 0.448 435 V N 2.459 122.542 119.914 0.282 0.000 2.656 435 V HA 0.879 4.998 4.120 -0.000 0.000 0.307 435 V C -0.711 175.491 176.094 0.181 0.000 1.051 435 V CA -0.932 61.477 62.300 0.182 0.000 0.893 435 V CB 1.721 33.596 31.823 0.087 0.000 0.999 435 V HN 0.868 nan 8.190 nan 0.000 0.426 436 A N 4.727 127.627 122.820 0.133 0.000 2.343 436 A HA 0.873 5.193 4.320 -0.000 0.000 0.308 436 A C -0.540 177.040 177.584 -0.006 0.000 1.092 436 A CA -0.755 51.334 52.037 0.088 0.000 0.751 436 A CB 1.217 20.271 19.000 0.091 0.000 1.203 436 A HN 0.896 nan 8.150 nan 0.000 0.452 437 K N 1.176 121.577 120.400 0.001 0.000 2.375 437 K HA 0.899 5.219 4.320 -0.000 0.000 0.249 437 K C -0.759 175.838 176.600 -0.005 0.000 0.942 437 K CA -0.644 55.630 56.287 -0.021 0.000 0.806 437 K CB 2.494 34.985 32.500 -0.015 0.000 1.227 437 K HN 0.999 nan 8.250 nan 0.000 0.430 438 A N 2.075 124.896 122.820 0.002 0.000 2.549 438 A HA 0.683 5.003 4.320 -0.000 0.000 0.297 438 A C -1.470 176.173 177.584 0.098 0.000 1.061 438 A CA -0.918 51.153 52.037 0.056 0.000 0.690 438 A CB 1.928 20.968 19.000 0.066 0.000 1.287 438 A HN 0.785 nan 8.150 nan 0.000 0.402 439 R N 1.251 121.838 120.500 0.144 0.000 2.502 439 R HA 0.609 4.949 4.340 -0.000 0.000 0.298 439 R C -1.671 174.819 176.300 0.318 0.000 1.018 439 R CA -0.406 55.789 56.100 0.158 0.000 0.899 439 R CB 1.027 31.345 30.300 0.030 0.000 1.181 439 R HN 0.832 nan 8.270 nan 0.000 0.444 440 F N 2.299 122.333 119.950 0.140 0.000 2.546 440 F HA 0.538 5.065 4.527 -0.000 0.000 0.320 440 F C -1.098 174.786 175.800 0.139 0.000 1.076 440 F CA -1.626 56.458 58.000 0.139 0.000 0.928 440 F CB 0.917 39.949 39.000 0.052 0.000 1.189 440 F HN 0.228 nan 8.300 nan 0.000 0.465 441 L N 3.581 124.844 121.223 0.067 0.000 2.418 441 L HA 0.468 4.807 4.340 -0.000 0.000 0.274 441 L C 0.536 177.245 176.870 -0.268 0.000 1.135 441 L CA 0.561 55.155 54.840 -0.410 0.000 0.870 441 L CB 0.710 42.518 42.059 -0.418 0.000 1.154 441 L HN 0.961 nan 8.230 nan 0.000 0.462 442 A N 4.101 126.683 122.820 -0.397 0.000 2.035 442 A HA 0.270 4.590 4.320 -0.000 0.000 0.208 442 A C 0.525 177.994 177.584 -0.192 0.000 1.206 442 A CA 0.122 52.014 52.037 -0.242 0.000 0.773 442 A CB 0.021 18.845 19.000 -0.293 0.000 0.878 442 A HN 0.703 nan 8.150 nan 0.000 0.469 443 E N -0.759 119.280 120.200 -0.269 0.000 2.220 443 E HA 0.567 4.917 4.350 -0.000 0.000 0.256 443 E C 0.552 176.972 176.600 -0.301 0.000 0.881 443 E CA 0.056 56.327 56.400 -0.215 0.000 0.766 443 E CB 1.798 31.405 29.700 -0.155 0.000 1.187 443 E HN 0.279 nan 8.360 nan 0.000 0.419 444 A N 3.638 126.304 122.820 -0.256 0.000 1.883 444 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 444 A C 1.531 178.897 177.584 -0.364 0.000 1.186 444 A CA 1.783 53.630 52.037 -0.316 0.000 0.624 444 A CB -1.163 17.710 19.000 -0.211 0.000 0.822 444 A HN 0.948 nan 8.150 nan 0.000 0.444 445 G N -0.881 107.793 108.800 -0.210 0.000 2.611 445 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.301 445 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.301 445 G C 0.964 175.815 174.900 -0.082 0.000 1.233 445 G CA 1.128 46.159 45.100 -0.114 0.000 0.993 445 G HN 1.298 nan 8.290 nan 0.000 0.553 446 W N 1.353 122.644 121.300 -0.016 0.000 2.468 446 W HA 0.046 4.706 4.660 -0.000 0.000 0.262 446 W C 2.056 178.573 176.519 -0.003 0.000 1.241 446 W CA 1.001 58.343 57.345 -0.005 0.000 1.232 446 W CB -0.701 28.750 29.460 -0.016 0.000 1.124 446 W HN 0.489 nan 8.180 nan 0.000 0.597 447 R N 0.654 120.735 120.500 -0.699 0.000 2.237 447 R HA -0.056 4.284 4.340 -0.000 0.000 0.219 447 R C 2.206 178.375 176.300 -0.219 0.000 1.080 447 R CA 1.679 57.418 56.100 -0.601 0.000 0.995 447 R CB -0.638 29.194 30.300 -0.780 0.000 0.875 447 R HN 0.090 nan 8.270 nan 0.000 0.462 448 T N 1.760 116.226 114.554 -0.146 0.000 2.778 448 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 448 T C 1.694 176.397 174.700 0.005 0.000 1.050 448 T CA 1.088 63.154 62.100 -0.056 0.000 1.137 448 T CB -0.071 68.782 68.868 -0.025 0.000 0.860 448 T HN 0.214 nan 8.240 nan 0.000 0.468 449 L N 0.085 121.341 121.223 0.055 0.000 2.478 449 L HA 0.193 4.533 4.340 -0.000 0.000 0.223 449 L C 0.757 177.684 176.870 0.096 0.000 1.140 449 L CA 0.072 54.970 54.840 0.097 0.000 0.842 449 L CB -0.382 41.766 42.059 0.147 0.000 0.953 449 L HN 0.225 nan 8.230 nan 0.000 0.452 450 L N -0.521 120.744 121.223 0.071 0.000 2.453 450 L HA 0.242 4.582 4.340 -0.000 0.000 0.261 450 L C 1.169 178.065 176.870 0.044 0.000 1.179 450 L CA -0.364 54.517 54.840 0.069 0.000 0.813 450 L CB 0.266 42.352 42.059 0.045 0.000 1.110 450 L HN -0.024 nan 8.230 nan 0.000 0.466 451 G N 0.121 108.947 108.800 0.044 0.000 2.684 451 G HA2 0.120 4.080 3.960 -0.000 0.000 0.255 451 G HA3 0.120 4.080 3.960 -0.000 0.000 0.255 451 G C 0.836 175.748 174.900 0.020 0.000 1.219 451 G CA -0.313 44.808 45.100 0.034 0.000 0.901 451 G HN 0.694 nan 8.290 nan 0.000 0.548 452 S N -0.158 115.554 115.700 0.020 0.000 2.365 452 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 452 S C 2.516 177.122 174.600 0.010 0.000 1.039 452 S CA 1.337 59.545 58.200 0.014 0.000 1.033 452 S CB -0.209 63.001 63.200 0.017 0.000 0.887 452 S HN 0.479 nan 8.310 nan 0.000 0.447 453 K N 1.530 121.936 120.400 0.011 0.000 1.965 453 K HA -0.126 4.194 4.320 -0.000 0.000 0.220 453 K C 2.075 178.681 176.600 0.011 0.000 1.046 453 K CA 1.804 58.096 56.287 0.010 0.000 0.974 453 K CB -1.030 31.473 32.500 0.006 0.000 0.738 453 K HN 0.707 nan 8.250 nan 0.000 0.444 454 E N 0.991 121.198 120.200 0.013 0.000 2.455 454 E HA -0.187 4.163 4.350 -0.000 0.000 0.202 454 E C 1.932 178.539 176.600 0.012 0.000 1.045 454 E CA 0.497 56.909 56.400 0.021 0.000 0.872 454 E CB -0.082 29.637 29.700 0.031 0.000 0.792 454 E HN 0.188 nan 8.360 nan 0.000 0.542 455 R N 2.062 122.558 120.500 -0.006 0.000 2.234 455 R HA -0.132 4.208 4.340 -0.000 0.000 0.209 455 R C 0.998 177.271 176.300 -0.045 0.000 1.077 455 R CA 2.057 58.130 56.100 -0.046 0.000 0.866 455 R CB -0.241 30.029 30.300 -0.050 0.000 0.764 455 R HN 0.266 nan 8.270 nan 0.000 0.459 456 D N 0.601 120.983 120.400 -0.029 0.000 2.676 456 D HA -0.024 4.616 4.640 -0.000 0.000 0.239 456 D C 0.458 176.789 176.300 0.053 0.000 1.213 456 D CA 0.041 54.045 54.000 0.006 0.000 0.835 456 D CB 0.483 41.279 40.800 -0.006 0.000 1.009 456 D HN 0.262 nan 8.370 nan 0.000 0.479 457 E N 0.824 121.053 120.200 0.049 0.000 2.204 457 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 457 E C 0.947 177.588 176.600 0.069 0.000 0.989 457 E CA 0.592 57.023 56.400 0.051 0.000 0.824 457 E CB 0.080 29.804 29.700 0.039 0.000 0.756 457 E HN 0.535 nan 8.360 nan 0.000 0.477 458 E N 0.936 121.197 120.200 0.103 0.000 2.403 458 E HA 0.009 4.359 4.350 -0.000 0.000 0.187 458 E C -0.364 176.321 176.600 0.142 0.000 1.073 458 E CA -0.297 56.159 56.400 0.094 0.000 0.888 458 E CB 0.055 29.790 29.700 0.058 0.000 1.035 458 E HN 0.065 nan 8.360 nan 0.000 0.471 459 N N 1.865 120.664 118.700 0.166 0.000 2.454 459 N HA -0.011 4.729 4.740 -0.000 0.000 0.260 459 N C -0.700 174.871 175.510 0.101 0.000 1.218 459 N CA 0.716 53.866 53.050 0.167 0.000 0.904 459 N CB 0.579 39.149 38.487 0.139 0.000 1.065 459 N HN 0.072 nan 8.380 nan 0.000 0.462 460 D N 0.213 120.671 120.400 0.097 0.000 2.819 460 D HA 0.567 5.207 4.640 -0.000 0.000 0.232 460 D C 0.578 176.916 176.300 0.063 0.000 1.160 460 D CA 0.167 54.201 54.000 0.057 0.000 0.858 460 D CB 1.814 42.629 40.800 0.024 0.000 1.610 460 D HN 0.589 nan 8.370 nan 0.000 0.481 461 G N 1.754 110.582 108.800 0.047 0.000 2.593 461 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.237 461 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.237 461 G C -0.687 174.238 174.900 0.041 0.000 1.312 461 G CA 0.100 45.226 45.100 0.044 0.000 0.896 461 G HN 0.910 nan 8.290 nan 0.000 0.574 462 T N -1.085 113.489 114.554 0.033 0.000 2.956 462 T HA 0.642 4.992 4.350 -0.000 0.000 0.312 462 T C -3.025 171.668 174.700 -0.012 0.000 1.151 462 T CA -0.809 61.297 62.100 0.010 0.000 1.024 462 T CB 2.060 70.941 68.868 0.021 0.000 1.140 462 T HN 0.673 nan 8.240 nan 0.000 0.473 463 P HA 0.040 nan 4.420 nan 0.000 0.263 463 P C -0.850 176.421 177.300 -0.049 0.000 1.145 463 P CA 0.322 63.346 63.100 -0.127 0.000 0.755 463 P CB 0.221 31.811 31.700 -0.184 0.000 0.746 464 L N 5.535 126.731 121.223 -0.044 0.000 2.334 464 L HA 0.512 4.852 4.340 -0.000 0.000 0.273 464 L C -1.764 175.105 176.870 -0.001 0.000 1.013 464 L CA -2.252 52.535 54.840 -0.089 0.000 0.816 464 L CB 1.439 43.390 42.059 -0.180 0.000 1.278 464 L HN 0.282 nan 8.230 nan 0.000 0.431 465 P HA 0.116 nan 4.420 nan 0.000 0.275 465 P C -0.575 176.741 177.300 0.028 0.000 1.228 465 P CA -0.367 62.757 63.100 0.040 0.000 0.786 465 P CB 0.933 32.682 31.700 0.081 0.000 0.927 466 V N 2.978 122.868 119.914 -0.040 0.000 2.540 466 V HA 0.095 4.215 4.120 -0.000 0.000 0.297 466 V C 0.764 176.607 176.094 -0.418 0.000 1.024 466 V CA 0.408 62.537 62.300 -0.286 0.000 1.105 466 V CB 0.629 32.359 31.823 -0.155 0.000 0.938 466 V HN 0.360 nan 8.190 nan 0.000 0.482 467 V N 3.759 123.152 119.914 -0.869 0.000 2.932 467 V HA 0.804 4.924 4.120 -0.000 0.000 0.307 467 V C -0.071 175.749 176.094 -0.458 0.000 1.147 467 V CA -0.298 61.730 62.300 -0.453 0.000 0.951 467 V CB 2.352 34.080 31.823 -0.158 0.000 1.031 467 V HN 1.073 nan 8.190 nan 0.000 0.426 468 A N 3.704 126.414 122.820 -0.184 0.000 2.320 468 A HA 0.705 5.025 4.320 -0.000 0.000 0.334 468 A C -0.189 177.398 177.584 0.005 0.000 1.147 468 A CA -0.677 51.309 52.037 -0.083 0.000 0.820 468 A CB 0.852 19.816 19.000 -0.060 0.000 1.218 468 A HN 0.841 nan 8.150 nan 0.000 0.482 469 K N 0.472 120.899 120.400 0.045 0.000 2.491 469 K HA 0.260 4.580 4.320 -0.000 0.000 0.279 469 K C 1.215 177.838 176.600 0.039 0.000 1.026 469 K CA 1.641 57.964 56.287 0.059 0.000 1.070 469 K CB -0.188 32.349 32.500 0.061 0.000 0.887 469 K HN 1.684 nan 8.250 nan 0.000 0.481 470 G N 3.009 111.835 108.800 0.044 0.000 2.176 470 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 470 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 470 G C -0.333 174.583 174.900 0.026 0.000 0.979 470 G CA 0.142 45.262 45.100 0.034 0.000 0.641 470 G HN 0.723 nan 8.290 nan 0.000 0.530 471 D N 0.771 121.186 120.400 0.026 0.000 2.423 471 D HA 0.421 5.061 4.640 -0.000 0.000 0.238 471 D C 0.473 176.792 176.300 0.031 0.000 1.142 471 D CA 0.456 54.468 54.000 0.021 0.000 0.884 471 D CB 0.861 41.670 40.800 0.015 0.000 1.199 471 D HN 0.492 nan 8.370 nan 0.000 0.438 472 E N 1.840 122.053 120.200 0.021 0.000 2.145 472 E HA 0.358 4.708 4.350 -0.000 0.000 0.262 472 E C -0.804 175.802 176.600 0.010 0.000 0.883 472 E CA -0.524 55.886 56.400 0.016 0.000 0.748 472 E CB 0.559 30.263 29.700 0.007 0.000 1.140 472 E HN 0.313 nan 8.360 nan 0.000 0.417 473 L N 3.053 124.282 121.223 0.010 0.000 2.299 473 L HA 0.594 4.934 4.340 -0.000 0.000 0.268 473 L C -0.695 176.148 176.870 -0.045 0.000 1.012 473 L CA -1.404 53.431 54.840 -0.008 0.000 0.816 473 L CB 0.924 42.992 42.059 0.015 0.000 1.355 473 L HN 0.464 nan 8.230 nan 0.000 0.457 474 L N 0.809 121.986 121.223 -0.076 0.000 2.349 474 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 474 L C -0.550 176.240 176.870 -0.134 0.000 0.996 474 L CA -0.247 54.538 54.840 -0.092 0.000 0.825 474 L CB 1.388 43.402 42.059 -0.075 0.000 1.243 474 L HN 0.668 nan 8.230 nan 0.000 0.412 475 C N 4.760 123.972 119.300 -0.147 0.000 2.492 475 C HA 0.171 4.631 4.460 -0.000 0.000 0.362 475 C C 1.682 176.590 174.990 -0.137 0.000 1.207 475 C CA -0.213 58.699 59.018 -0.177 0.000 1.626 475 C CB -0.996 26.606 27.740 -0.230 0.000 2.239 475 C HN 1.057 nan 8.230 nan 0.000 0.547 476 E N 3.448 123.576 120.200 -0.119 0.000 2.106 476 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 476 E C 0.624 177.161 176.600 -0.105 0.000 0.984 476 E CA 1.053 57.394 56.400 -0.098 0.000 0.806 476 E CB 0.213 29.863 29.700 -0.083 0.000 0.750 476 E HN 0.891 nan 8.360 nan 0.000 0.458 477 K N -2.181 118.158 120.400 -0.102 0.000 2.685 477 K HA 0.453 4.773 4.320 -0.000 0.000 0.290 477 K C -0.800 175.759 176.600 -0.069 0.000 1.018 477 K CA -0.670 55.544 56.287 -0.122 0.000 0.860 477 K CB 1.005 33.394 32.500 -0.185 0.000 1.498 477 K HN 0.001 nan 8.250 nan 0.000 0.390 478 G N 0.279 109.040 108.800 -0.064 0.000 2.568 478 G HA2 0.699 4.659 3.960 -0.000 0.000 0.313 478 G HA3 0.699 4.659 3.960 -0.000 0.000 0.313 478 G C -1.442 173.474 174.900 0.028 0.000 1.227 478 G CA -0.708 44.405 45.100 0.020 0.000 0.979 478 G HN 0.858 nan 8.290 nan 0.000 0.486 479 E N -1.875 118.391 120.200 0.109 0.000 2.390 479 E HA 0.474 4.824 4.350 -0.000 0.000 0.280 479 E C -0.988 175.678 176.600 0.110 0.000 0.992 479 E CA -1.125 55.326 56.400 0.086 0.000 0.790 479 E CB 1.850 31.616 29.700 0.110 0.000 1.248 479 E HN 0.803 nan 8.360 nan 0.000 0.447 480 V N 0.394 120.352 119.914 0.074 0.000 2.465 480 V HA 0.602 4.722 4.120 -0.000 0.000 0.279 480 V C -0.291 175.876 176.094 0.123 0.000 1.045 480 V CA -0.562 61.797 62.300 0.098 0.000 0.938 480 V CB 1.204 33.042 31.823 0.024 0.000 0.986 480 V HN 0.551 nan 8.190 nan 0.000 0.467 481 V N 5.427 125.428 119.914 0.145 0.000 2.383 481 V HA 0.374 4.494 4.120 -0.000 0.000 0.275 481 V C 0.403 176.546 176.094 0.080 0.000 1.036 481 V CA -0.479 61.872 62.300 0.085 0.000 0.889 481 V CB 1.006 32.849 31.823 0.032 0.000 0.985 481 V HN 0.948 nan 8.190 nan 0.000 0.459 482 E N 5.820 126.051 120.200 0.051 0.000 2.166 482 E HA 0.359 4.709 4.350 -0.000 0.000 0.279 482 E C -0.287 176.213 176.600 -0.166 0.000 1.095 482 E CA -0.033 56.368 56.400 0.003 0.000 0.888 482 E CB 0.910 30.639 29.700 0.048 0.000 1.041 482 E HN 0.518 nan 8.360 nan 0.000 0.414 483 R N 2.001 122.255 120.500 -0.411 0.000 2.725 483 R HA 0.322 4.662 4.340 -0.000 0.000 0.277 483 R C -0.461 175.596 176.300 -0.404 0.000 0.987 483 R CA -0.716 55.074 56.100 -0.517 0.000 0.901 483 R CB 2.222 31.935 30.300 -0.979 0.000 1.207 483 R HN 0.518 nan 8.270 nan 0.000 0.463 484 Q N -0.522 119.282 119.800 0.006 0.000 2.379 484 Q HA 0.381 4.721 4.340 -0.000 0.000 0.278 484 Q C -1.046 175.176 176.000 0.370 0.000 1.068 484 Q CA -1.082 54.869 55.803 0.247 0.000 0.816 484 Q CB 1.996 30.794 28.738 0.099 0.000 1.387 484 Q HN 0.589 nan 8.270 nan 0.000 0.413 485 T N 0.287 115.035 114.554 0.323 0.000 2.851 485 T HA 0.252 4.602 4.350 -0.000 0.000 0.298 485 T C 0.061 174.924 174.700 0.272 0.000 0.977 485 T CA -0.674 61.576 62.100 0.250 0.000 1.126 485 T CB 0.902 69.915 68.868 0.242 0.000 0.916 485 T HN 0.627 nan 8.240 nan 0.000 0.529 486 Q N 2.663 122.534 119.800 0.119 0.000 2.226 486 Q HA 0.507 4.847 4.340 -0.000 0.000 0.256 486 Q C -2.752 173.052 176.000 -0.326 0.000 0.962 486 Q CA -2.448 53.361 55.803 0.009 0.000 0.887 486 Q CB 0.841 29.567 28.738 -0.020 0.000 1.282 486 Q HN 0.458 nan 8.270 nan 0.000 0.449 487 P HA 0.274 nan 4.420 nan 0.000 0.272 487 P C -2.357 174.631 177.300 -0.521 0.000 1.230 487 P CA -0.972 61.665 63.100 -0.772 0.000 0.788 487 P CB -0.626 30.877 31.700 -0.329 0.000 0.949 488 P HA 0.158 nan 4.420 nan 0.000 0.271 488 P C -0.079 177.024 177.300 -0.329 0.000 1.238 488 P CA 0.046 62.924 63.100 -0.370 0.000 0.794 488 P CB 0.377 31.867 31.700 -0.350 0.000 0.959 489 R N 0.527 120.849 120.500 -0.297 0.000 2.410 489 R HA 0.253 4.593 4.340 -0.000 0.000 0.288 489 R C 0.554 176.629 176.300 -0.374 0.000 1.051 489 R CA -0.489 55.455 56.100 -0.260 0.000 1.021 489 R CB 0.235 30.449 30.300 -0.142 0.000 1.032 489 R HN 0.564 nan 8.270 nan 0.000 0.481 490 H N 2.054 120.915 119.070 -0.348 0.000 2.790 490 H HA -0.006 4.550 4.556 -0.000 0.000 0.358 490 H C 0.097 175.349 175.328 -0.127 0.000 1.103 490 H CA 0.718 56.573 56.048 -0.322 0.000 1.426 490 H CB 0.498 29.973 29.762 -0.479 0.000 1.424 490 H HN 0.342 nan 8.280 nan 0.000 0.599 491 F N 0.725 120.758 119.950 0.139 0.000 2.450 491 F HA 0.068 4.595 4.527 -0.000 0.000 0.339 491 F C 1.298 177.216 175.800 0.197 0.000 1.146 491 F CA 0.101 58.182 58.000 0.135 0.000 1.267 491 F CB 0.905 39.941 39.000 0.060 0.000 1.178 491 F HN 0.443 nan 8.300 nan 0.000 0.585 492 T N -2.197 112.576 114.554 0.366 0.000 2.910 492 T HA 0.238 4.588 4.350 -0.000 0.000 0.287 492 T C 0.572 175.358 174.700 0.143 0.000 1.050 492 T CA -0.913 61.294 62.100 0.178 0.000 1.011 492 T CB 1.524 70.412 68.868 0.033 0.000 1.195 492 T HN 0.449 nan 8.240 nan 0.000 0.540 493 D N 0.480 120.919 120.400 0.065 0.000 2.133 493 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 493 D C 2.210 178.524 176.300 0.023 0.000 0.997 493 D CA 1.832 55.847 54.000 0.024 0.000 0.840 493 D CB -0.413 40.370 40.800 -0.029 0.000 0.947 493 D HN 0.719 nan 8.370 nan 0.000 0.452 494 A N 0.462 123.301 122.820 0.031 0.000 1.872 494 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 494 A C 2.376 180.001 177.584 0.069 0.000 1.187 494 A CA 2.512 54.569 52.037 0.033 0.000 0.614 494 A CB -0.931 18.084 19.000 0.024 0.000 0.826 494 A HN 0.377 nan 8.150 nan 0.000 0.442 495 T N -2.017 112.615 114.554 0.129 0.000 2.915 495 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 495 T C 1.706 176.545 174.700 0.233 0.000 1.071 495 T CA 1.369 63.602 62.100 0.220 0.000 1.132 495 T CB -0.333 68.719 68.868 0.307 0.000 0.878 495 T HN 0.132 nan 8.240 nan 0.000 0.479 496 L N 0.816 122.096 121.223 0.095 0.000 2.056 496 L HA 0.286 4.626 4.340 -0.000 0.000 0.207 496 L C 2.268 179.065 176.870 -0.122 0.000 1.078 496 L CA 1.243 55.967 54.840 -0.193 0.000 0.749 496 L CB -1.273 40.623 42.059 -0.271 0.000 0.901 496 L HN 0.339 nan 8.230 nan 0.000 0.433 497 L N -0.657 120.540 121.223 -0.044 0.000 2.046 497 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 497 L C 2.659 179.525 176.870 -0.006 0.000 1.077 497 L CA 2.177 56.998 54.840 -0.032 0.000 0.747 497 L CB -0.762 41.285 42.059 -0.019 0.000 0.896 497 L HN 0.512 nan 8.230 nan 0.000 0.432 498 S N -0.489 115.230 115.700 0.033 0.000 2.383 498 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 498 S C 2.156 176.819 174.600 0.106 0.000 1.026 498 S CA 0.722 58.963 58.200 0.069 0.000 0.981 498 S CB -1.052 62.203 63.200 0.092 0.000 0.818 498 S HN 0.533 nan 8.310 nan 0.000 0.472 499 A N 2.354 125.239 122.820 0.108 0.000 1.908 499 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 499 A C 2.405 179.964 177.584 -0.042 0.000 1.181 499 A CA 1.804 53.892 52.037 0.085 0.000 0.627 499 A CB -0.816 18.105 19.000 -0.131 0.000 0.818 499 A HN 0.572 nan 8.150 nan 0.000 0.445 500 M N -0.963 118.582 119.600 -0.092 0.000 2.086 500 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 500 M C 2.314 178.602 176.300 -0.019 0.000 1.067 500 M CA 2.126 57.376 55.300 -0.084 0.000 1.116 500 M CB -0.874 31.675 32.600 -0.084 0.000 1.348 500 M HN 0.480 nan 8.290 nan 0.000 0.407 501 T N -0.060 114.497 114.554 0.006 0.000 2.737 501 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 501 T C 1.513 176.247 174.700 0.057 0.000 1.038 501 T CA 1.527 63.642 62.100 0.025 0.000 1.144 501 T CB -0.657 68.225 68.868 0.022 0.000 0.866 501 T HN 0.595 nan 8.240 nan 0.000 0.434 502 G N 0.687 109.543 108.800 0.094 0.000 3.374 502 G HA2 0.172 4.132 3.960 -0.000 0.000 0.252 502 G HA3 0.172 4.132 3.960 -0.000 0.000 0.252 502 G C 1.078 176.121 174.900 0.239 0.000 1.326 502 G CA -0.325 44.859 45.100 0.141 0.000 1.133 502 G HN 0.369 nan 8.290 nan 0.000 0.528 503 I N 1.020 121.696 120.570 0.176 0.000 2.657 503 I HA -0.099 4.071 4.170 -0.000 0.000 0.261 503 I C 2.643 178.907 176.117 0.246 0.000 1.212 503 I CA 0.992 62.416 61.300 0.206 0.000 1.453 503 I CB 0.147 38.175 38.000 0.047 0.000 1.092 503 I HN 0.232 nan 8.210 nan 0.000 0.452 504 A N 0.120 123.034 122.820 0.156 0.000 1.969 504 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 504 A C 2.366 179.994 177.584 0.074 0.000 1.169 504 A CA 1.176 53.271 52.037 0.097 0.000 0.635 504 A CB -0.536 18.498 19.000 0.057 0.000 0.810 504 A HN 0.422 nan 8.150 nan 0.000 0.445 505 R N -1.888 118.643 120.500 0.051 0.000 2.328 505 R HA -0.009 4.331 4.340 -0.000 0.000 0.207 505 R C 0.597 176.744 176.300 -0.255 0.000 1.056 505 R CA 0.897 56.921 56.100 -0.126 0.000 1.016 505 R CB -0.258 29.908 30.300 -0.223 0.000 0.872 505 R HN 0.622 nan 8.270 nan 0.000 0.471 506 F N -0.279 119.679 119.950 0.014 0.000 2.721 506 F HA 0.073 4.600 4.527 -0.000 0.000 0.301 506 F C 0.849 176.655 175.800 0.009 0.000 1.096 506 F CA -0.447 57.563 58.000 0.017 0.000 1.308 506 F CB 0.675 39.691 39.000 0.027 0.000 1.086 506 F HN -0.255 nan 8.300 nan 0.000 0.587 507 V N -1.051 118.951 119.914 0.147 0.000 2.732 507 V HA 0.320 4.440 4.120 -0.000 0.000 0.310 507 V C 0.800 176.915 176.094 0.036 0.000 1.053 507 V CA -0.710 61.639 62.300 0.081 0.000 0.957 507 V CB 1.582 33.443 31.823 0.063 0.000 1.018 507 V HN 0.324 nan 8.190 nan 0.000 0.452 508 Q N 0.822 120.636 119.800 0.024 0.000 2.061 508 Q HA -0.014 4.326 4.340 -0.000 0.000 0.195 508 Q C 0.617 176.620 176.000 0.005 0.000 0.967 508 Q CA 0.730 56.537 55.803 0.006 0.000 0.829 508 Q CB -0.265 28.475 28.738 0.003 0.000 0.900 508 Q HN 0.758 nan 8.270 nan 0.000 0.450 509 D N 1.508 121.914 120.400 0.010 0.000 2.586 509 D HA -0.044 4.596 4.640 -0.000 0.000 0.234 509 D C 0.370 176.676 176.300 0.010 0.000 1.132 509 D CA 0.449 54.455 54.000 0.009 0.000 0.860 509 D CB 1.070 41.878 40.800 0.014 0.000 1.159 509 D HN 0.229 nan 8.370 nan 0.000 0.490 510 K N 2.037 122.440 120.400 0.005 0.000 2.007 510 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 510 K C 1.555 178.161 176.600 0.010 0.000 1.047 510 K CA 1.278 57.567 56.287 0.004 0.000 0.937 510 K CB 0.104 32.603 32.500 -0.001 0.000 0.718 510 K HN 0.553 nan 8.250 nan 0.000 0.438 511 D N 0.871 121.279 120.400 0.012 0.000 2.264 511 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 511 D C 1.847 178.163 176.300 0.027 0.000 0.966 511 D CA 0.865 54.876 54.000 0.017 0.000 0.864 511 D CB -0.098 40.713 40.800 0.017 0.000 0.933 511 D HN 0.216 nan 8.370 nan 0.000 0.499 512 L N 0.685 121.927 121.223 0.031 0.000 2.162 512 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 512 L C 2.695 179.586 176.870 0.036 0.000 1.086 512 L CA 0.870 55.735 54.840 0.042 0.000 0.778 512 L CB -0.272 41.814 42.059 0.045 0.000 0.928 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 K N 0.301 120.719 120.400 0.030 0.000 2.439 513 K HA -0.166 4.154 4.320 -0.000 0.000 0.197 513 K C 1.878 178.494 176.600 0.027 0.000 1.041 513 K CA 1.039 57.344 56.287 0.031 0.000 0.970 513 K CB 0.063 32.579 32.500 0.026 0.000 0.773 513 K HN 0.138 nan 8.250 nan 0.000 0.479 514 K N 0.995 121.409 120.400 0.023 0.000 2.076 514 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 514 K C 1.944 178.558 176.600 0.024 0.000 1.051 514 K CA 1.014 57.313 56.287 0.020 0.000 0.949 514 K CB -0.022 32.486 32.500 0.014 0.000 0.726 514 K HN 0.151 nan 8.250 nan 0.000 0.443 515 I N 0.980 121.566 120.570 0.028 0.000 2.226 515 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 515 I C 2.001 178.138 176.117 0.032 0.000 1.100 515 I CA 1.100 62.417 61.300 0.030 0.000 1.374 515 I CB -0.291 37.731 38.000 0.036 0.000 1.057 515 I HN 0.109 nan 8.210 nan 0.000 0.413 516 L N 0.276 121.519 121.223 0.034 0.000 2.131 516 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 516 L C 2.796 179.688 176.870 0.036 0.000 1.092 516 L CA 1.288 56.149 54.840 0.035 0.000 0.759 516 L CB -0.434 41.649 42.059 0.040 0.000 0.903 516 L HN 0.206 nan 8.230 nan 0.000 0.435 517 R N -0.538 119.983 120.500 0.035 0.000 2.075 517 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 517 R C 2.410 178.733 176.300 0.038 0.000 1.114 517 R CA 1.069 57.190 56.100 0.035 0.000 0.972 517 R CB -0.265 30.053 30.300 0.030 0.000 0.869 517 R HN 0.291 nan 8.270 nan 0.000 0.437 518 A N 0.649 123.490 122.820 0.037 0.000 1.972 518 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 518 A C 1.831 179.441 177.584 0.043 0.000 1.169 518 A CA 1.850 53.911 52.037 0.040 0.000 0.635 518 A CB -0.437 18.579 19.000 0.027 0.000 0.810 518 A HN 0.448 nan 8.150 nan 0.000 0.446 519 T N -4.149 110.429 114.554 0.040 0.000 3.223 519 T HA 0.348 4.698 4.350 -0.000 0.000 0.259 519 T C 0.018 174.743 174.700 0.042 0.000 1.015 519 T CA 0.511 62.637 62.100 0.044 0.000 0.908 519 T CB -0.319 68.572 68.868 0.038 0.000 1.054 519 T HN 0.402 nan 8.240 nan 0.000 0.567 520 D N 0.735 121.159 120.400 0.040 0.000 2.882 520 D HA -0.071 4.569 4.640 -0.000 0.000 0.229 520 D C 0.994 177.311 176.300 0.028 0.000 1.167 520 D CA 1.917 55.937 54.000 0.034 0.000 0.759 520 D CB -1.280 39.540 40.800 0.034 0.000 1.088 520 D HN 1.048 nan 8.370 nan 0.000 0.425 521 G N -1.449 107.368 108.800 0.028 0.000 2.501 521 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.213 521 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.213 521 G C -1.174 173.730 174.900 0.007 0.000 1.158 521 G CA -0.418 44.696 45.100 0.022 0.000 1.079 521 G HN 0.596 nan 8.290 nan 0.000 0.586 522 L N 2.849 124.067 121.223 -0.008 0.000 2.268 522 L HA 0.628 4.967 4.340 -0.000 0.000 0.289 522 L C 1.283 178.142 176.870 -0.018 0.000 1.064 522 L CA 1.791 56.615 54.840 -0.027 0.000 0.824 522 L CB 0.072 42.099 42.059 -0.053 0.000 1.202 522 L HN 2.650 nan 8.230 nan 0.000 0.433 523 G N 3.271 112.066 108.800 -0.009 0.000 2.752 523 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.234 523 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.234 523 G C -0.099 174.811 174.900 0.016 0.000 1.367 523 G CA -0.263 44.842 45.100 0.009 0.000 0.879 523 G HN 1.105 nan 8.290 nan 0.000 0.563 524 T N -1.131 113.437 114.554 0.023 0.000 2.884 524 T HA 0.502 4.852 4.350 -0.000 0.000 0.298 524 T C 1.421 176.124 174.700 0.004 0.000 0.998 524 T CA 0.659 62.771 62.100 0.019 0.000 1.124 524 T CB 1.481 70.364 68.868 0.026 0.000 0.931 524 T HN 0.666 nan 8.240 nan 0.000 0.531 525 E N 2.919 123.117 120.200 -0.004 0.000 2.103 525 E HA -0.325 4.025 4.350 -0.000 0.000 0.229 525 E C 2.377 178.958 176.600 -0.031 0.000 1.061 525 E CA 1.971 58.358 56.400 -0.021 0.000 0.916 525 E CB -1.105 28.573 29.700 -0.036 0.000 0.806 525 E HN 0.961 nan 8.360 nan 0.000 0.489 526 A N 0.729 123.524 122.820 -0.043 0.000 2.186 526 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 526 A C 1.228 178.799 177.584 -0.022 0.000 1.159 526 A CA 1.672 53.681 52.037 -0.047 0.000 0.680 526 A CB -0.449 18.515 19.000 -0.060 0.000 0.787 526 A HN 0.341 nan 8.150 nan 0.000 0.467 527 T N -3.605 110.944 114.554 -0.008 0.000 3.410 527 T HA 0.615 4.965 4.350 -0.000 0.000 0.328 527 T C 0.182 174.885 174.700 0.005 0.000 1.567 527 T CA -0.644 61.459 62.100 0.005 0.000 1.626 527 T CB 0.593 69.475 68.868 0.022 0.000 0.939 527 T HN 0.363 nan 8.240 nan 0.000 0.656 528 R N 0.054 120.551 120.500 -0.005 0.000 2.568 528 R HA 0.451 4.791 4.340 -0.000 0.000 0.254 528 R C 2.249 178.542 176.300 -0.011 0.000 0.925 528 R CA 0.413 56.507 56.100 -0.009 0.000 1.025 528 R CB 0.167 30.456 30.300 -0.019 0.000 1.428 528 R HN 0.493 nan 8.270 nan 0.000 0.573 529 A N 0.907 123.719 122.820 -0.013 0.000 1.841 529 A HA -0.015 4.305 4.320 -0.000 0.000 0.214 529 A C 2.180 179.760 177.584 -0.007 0.000 1.195 529 A CA 1.779 53.806 52.037 -0.017 0.000 0.611 529 A CB -1.164 17.821 19.000 -0.024 0.000 0.835 529 A HN 0.358 nan 8.150 nan 0.000 0.443 530 G N -0.069 108.732 108.800 0.002 0.000 2.470 530 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 530 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 530 G C 1.367 176.288 174.900 0.035 0.000 1.121 530 G CA 0.972 46.080 45.100 0.014 0.000 0.766 530 G HN 0.401 nan 8.290 nan 0.000 0.553 531 I N 1.001 121.591 120.570 0.034 0.000 2.151 531 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 531 I C 2.752 178.914 176.117 0.075 0.000 1.080 531 I CA 1.212 62.541 61.300 0.049 0.000 1.339 531 I CB -0.846 37.172 38.000 0.029 0.000 1.039 531 I HN 0.211 nan 8.210 nan 0.000 0.409 532 I N 0.401 121.013 120.570 0.070 0.000 2.179 532 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 532 I C 2.684 178.944 176.117 0.238 0.000 1.088 532 I CA 1.301 62.686 61.300 0.142 0.000 1.357 532 I CB -0.497 37.557 38.000 0.090 0.000 1.051 532 I HN 0.233 nan 8.210 nan 0.000 0.409 533 E N 0.906 121.168 120.200 0.103 0.000 2.097 533 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 533 E C 2.257 178.945 176.600 0.145 0.000 1.000 533 E CA 1.262 57.713 56.400 0.085 0.000 0.804 533 E CB -0.394 29.308 29.700 0.003 0.000 0.740 533 E HN 0.477 nan 8.360 nan 0.000 0.454 534 L N 0.542 121.830 121.223 0.107 0.000 1.990 534 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 534 L C 2.498 179.420 176.870 0.087 0.000 1.072 534 L CA 1.194 56.085 54.840 0.085 0.000 0.755 534 L CB -0.244 41.862 42.059 0.079 0.000 0.889 534 L HN 0.148 nan 8.230 nan 0.000 0.432 535 L N -1.447 119.863 121.223 0.145 0.000 2.127 535 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 535 L C 2.375 179.272 176.870 0.044 0.000 1.089 535 L CA 1.243 56.168 54.840 0.143 0.000 0.757 535 L CB -0.558 41.612 42.059 0.184 0.000 0.899 535 L HN 0.189 nan 8.230 nan 0.000 0.434 536 F N 0.369 120.323 119.950 0.006 0.000 2.084 536 F HA -0.197 4.330 4.527 -0.000 0.000 0.296 536 F C 2.697 178.471 175.800 -0.044 0.000 1.111 536 F CA 1.615 59.613 58.000 -0.002 0.000 1.224 536 F CB -0.348 38.658 39.000 0.009 0.000 0.991 536 F HN -0.071 nan 8.300 nan 0.000 0.471 537 K N 0.105 120.586 120.400 0.135 0.000 2.063 537 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 537 K C 2.216 178.764 176.600 -0.085 0.000 1.048 537 K CA 1.196 57.500 56.287 0.029 0.000 0.928 537 K CB -0.019 32.494 32.500 0.023 0.000 0.713 537 K HN -0.030 nan 8.250 nan 0.000 0.442 538 R N -0.484 119.892 120.500 -0.206 0.000 2.200 538 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 538 R C 1.399 177.381 176.300 -0.530 0.000 1.127 538 R CA 1.211 57.002 56.100 -0.516 0.000 0.989 538 R CB -0.804 28.854 30.300 -1.071 0.000 0.869 538 R HN 0.645 nan 8.270 nan 0.000 0.459 539 G N -0.392 108.231 108.800 -0.295 0.000 2.137 539 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 539 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 539 G C 0.728 175.612 174.900 -0.025 0.000 1.002 539 G CA 0.291 45.316 45.100 -0.126 0.000 0.702 539 G HN 0.435 nan 8.290 nan 0.000 0.515 540 F N -0.371 119.547 119.950 -0.054 0.000 2.335 540 F HA 0.379 4.905 4.527 -0.000 0.000 0.296 540 F C 1.617 177.312 175.800 -0.175 0.000 1.091 540 F CA 0.171 58.122 58.000 -0.081 0.000 1.399 540 F CB 0.154 39.120 39.000 -0.057 0.000 1.067 540 F HN 0.091 nan 8.300 nan 0.000 0.520 541 L N -0.700 120.410 121.223 -0.187 0.000 2.303 541 L HA 0.604 4.944 4.340 -0.000 0.000 0.266 541 L C -0.176 176.288 176.870 -0.677 0.000 1.011 541 L CA -0.549 53.985 54.840 -0.510 0.000 0.818 541 L CB 2.147 43.666 42.059 -0.901 0.000 1.326 541 L HN -0.295 nan 8.230 nan 0.000 0.435 542 T N 0.080 114.362 114.554 -0.453 0.000 2.821 542 T HA 0.378 4.728 4.350 -0.000 0.000 0.306 542 T C -1.502 173.311 174.700 0.189 0.000 1.313 542 T CA -0.699 61.333 62.100 -0.114 0.000 1.012 542 T CB 1.796 70.666 68.868 0.004 0.000 1.298 542 T HN 0.497 nan 8.240 nan 0.000 0.502 543 K N 2.373 122.984 120.400 0.351 0.000 2.265 543 K HA 0.432 4.752 4.320 -0.000 0.000 0.267 543 K C 0.242 176.984 176.600 0.237 0.000 0.994 543 K CA -0.638 55.857 56.287 0.347 0.000 0.860 543 K CB 1.563 34.251 32.500 0.314 0.000 1.099 543 K HN 0.362 nan 8.250 nan 0.000 0.448 544 K N 1.351 121.922 120.400 0.284 0.000 2.244 544 K HA 0.146 4.466 4.320 -0.000 0.000 0.200 544 K C 0.844 177.542 176.600 0.164 0.000 1.052 544 K CA 0.734 57.096 56.287 0.125 0.000 0.980 544 K CB 0.444 32.874 32.500 -0.117 0.000 0.838 544 K HN 0.695 nan 8.250 nan 0.000 0.481 545 G N -0.087 108.871 108.800 0.263 0.000 3.341 545 G HA2 0.116 4.076 3.960 -0.000 0.000 0.177 545 G HA3 0.116 4.076 3.960 -0.000 0.000 0.177 545 G C -0.007 174.944 174.900 0.084 0.000 1.236 545 G CA -0.241 44.977 45.100 0.196 0.000 0.888 545 G HN 0.212 nan 8.290 nan 0.000 0.644 546 R N -0.664 119.789 120.500 -0.078 0.000 2.310 546 R HA 0.239 4.579 4.340 -0.000 0.000 0.202 546 R C -0.457 175.739 176.300 -0.174 0.000 0.933 546 R CA -0.158 55.846 56.100 -0.159 0.000 1.054 546 R CB -0.364 29.787 30.300 -0.249 0.000 0.985 546 R HN 0.378 nan 8.270 nan 0.000 0.489 547 Y N 1.093 121.431 120.300 0.063 0.000 2.307 547 Y HA 0.352 4.902 4.550 -0.000 0.000 0.324 547 Y C 0.520 176.447 175.900 0.045 0.000 1.238 547 Y CA -1.023 57.087 58.100 0.016 0.000 1.280 547 Y CB 1.050 39.442 38.460 -0.113 0.000 1.248 547 Y HN -0.135 nan 8.280 nan 0.000 0.508 548 I N 3.508 124.205 120.570 0.211 0.000 2.339 548 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 548 I C -0.350 175.776 176.117 0.016 0.000 0.994 548 I CA -0.380 61.044 61.300 0.205 0.000 1.191 548 I CB 0.429 38.599 38.000 0.282 0.000 1.343 548 I HN 0.536 nan 8.210 nan 0.000 0.458 549 H N 3.855 123.004 119.070 0.130 0.000 2.499 549 H HA 0.388 4.944 4.556 -0.000 0.000 0.340 549 H C -0.198 175.134 175.328 0.007 0.000 1.148 549 H CA -0.764 55.341 56.048 0.095 0.000 1.215 549 H CB 2.072 31.856 29.762 0.036 0.000 1.529 549 H HN 0.542 nan 8.280 nan 0.000 0.510 550 S N 1.257 117.028 115.700 0.118 0.000 2.562 550 S HA 0.210 4.680 4.470 -0.000 0.000 0.275 550 S C 0.667 175.291 174.600 0.040 0.000 1.281 550 S CA -0.875 57.337 58.200 0.021 0.000 1.045 550 S CB 1.123 64.299 63.200 -0.041 0.000 0.962 550 S HN 0.704 nan 8.310 nan 0.000 0.503 551 T N 0.018 114.590 114.554 0.030 0.000 2.788 551 T HA 0.271 4.621 4.350 -0.000 0.000 0.280 551 T C 0.400 175.126 174.700 0.044 0.000 0.984 551 T CA -0.468 61.659 62.100 0.045 0.000 0.972 551 T CB 0.157 69.066 68.868 0.067 0.000 1.039 551 T HN 0.520 nan 8.240 nan 0.000 0.530 552 D N 0.663 121.091 120.400 0.048 0.000 2.144 552 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 552 D C 2.380 178.704 176.300 0.040 0.000 0.984 552 D CA 1.632 55.657 54.000 0.043 0.000 0.834 552 D CB -0.909 39.918 40.800 0.045 0.000 0.955 552 D HN 0.727 nan 8.370 nan 0.000 0.465 553 A N 0.941 123.804 122.820 0.071 0.000 1.892 553 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 553 A C 2.415 180.014 177.584 0.024 0.000 1.188 553 A CA 2.384 54.461 52.037 0.067 0.000 0.631 553 A CB -1.214 17.898 19.000 0.187 0.000 0.822 553 A HN 0.324 nan 8.150 nan 0.000 0.447 554 G N -0.559 108.272 108.800 0.053 0.000 2.404 554 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.215 554 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.215 554 G C 1.660 176.457 174.900 -0.172 0.000 1.174 554 G CA 1.110 46.105 45.100 -0.174 0.000 0.780 554 G HN 0.584 nan 8.290 nan 0.000 0.537 555 K N 0.668 121.016 120.400 -0.085 0.000 2.044 555 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 555 K C 2.915 179.547 176.600 0.052 0.000 1.049 555 K CA 1.258 57.517 56.287 -0.046 0.000 0.927 555 K CB -0.275 32.245 32.500 0.032 0.000 0.713 555 K HN 0.275 nan 8.250 nan 0.000 0.443 556 A N 1.233 124.061 122.820 0.014 0.000 1.902 556 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 556 A C 2.123 179.653 177.584 -0.090 0.000 1.181 556 A CA 1.249 53.273 52.037 -0.021 0.000 0.623 556 A CB -0.560 18.413 19.000 -0.044 0.000 0.818 556 A HN 0.252 nan 8.150 nan 0.000 0.443 557 L N -1.297 119.854 121.223 -0.121 0.000 2.017 557 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 557 L C 2.226 178.993 176.870 -0.172 0.000 1.073 557 L CA 2.436 57.187 54.840 -0.148 0.000 0.745 557 L CB -0.867 40.977 42.059 -0.357 0.000 0.894 557 L HN 0.451 nan 8.230 nan 0.000 0.432 558 F N -0.138 119.609 119.950 -0.340 0.000 2.065 558 F HA -0.317 4.210 4.527 -0.000 0.000 0.298 558 F C 2.513 178.108 175.800 -0.341 0.000 1.112 558 F CA 2.219 59.993 58.000 -0.375 0.000 1.212 558 F CB -0.429 38.300 39.000 -0.453 0.000 0.975 558 F HN 0.285 nan 8.300 nan 0.000 0.476 559 H N -0.528 118.547 119.070 0.008 0.000 2.524 559 H HA 0.002 4.558 4.556 -0.000 0.000 0.282 559 H C 2.455 177.665 175.328 -0.196 0.000 1.016 559 H CA 1.206 57.198 56.048 -0.094 0.000 1.270 559 H CB -0.524 29.244 29.762 0.010 0.000 1.394 559 H HN 0.400 nan 8.280 nan 0.000 0.568 560 S N -0.106 115.511 115.700 -0.138 0.000 2.527 560 S HA 0.077 4.547 4.470 -0.000 0.000 0.222 560 S C 0.913 175.486 174.600 -0.044 0.000 0.985 560 S CA -0.103 57.996 58.200 -0.169 0.000 0.921 560 S CB -0.067 62.908 63.200 -0.374 0.000 0.772 560 S HN 0.059 nan 8.310 nan 0.000 0.529 561 L N 2.487 123.600 121.223 -0.184 0.000 2.344 561 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 561 L C -2.130 174.613 176.870 -0.212 0.000 1.035 561 L CA -2.709 51.985 54.840 -0.244 0.000 0.807 561 L CB 1.006 42.812 42.059 -0.421 0.000 1.237 561 L HN 0.022 nan 8.230 nan 0.000 0.442 562 P HA 0.042 nan 4.420 nan 0.000 0.270 562 P C -0.004 177.192 177.300 -0.173 0.000 1.223 562 P CA -0.259 62.776 63.100 -0.110 0.000 0.785 562 P CB 0.777 32.452 31.700 -0.042 0.000 0.923 563 E N 1.119 121.231 120.200 -0.147 0.000 2.070 563 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 563 E C 1.735 178.253 176.600 -0.136 0.000 1.004 563 E CA 1.362 57.666 56.400 -0.159 0.000 0.805 563 E CB -0.396 29.248 29.700 -0.094 0.000 0.744 563 E HN 0.549 nan 8.360 nan 0.000 0.451 564 M N 0.642 120.188 119.600 -0.090 0.000 2.143 564 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 564 M C 2.111 178.357 176.300 -0.090 0.000 1.071 564 M CA 2.063 57.319 55.300 -0.074 0.000 1.088 564 M CB -0.124 32.457 32.600 -0.032 0.000 1.360 564 M HN 0.058 nan 8.290 nan 0.000 0.404 565 A N -0.373 122.393 122.820 -0.089 0.000 2.067 565 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 565 A C 1.940 179.444 177.584 -0.133 0.000 1.156 565 A CA 1.650 53.645 52.037 -0.071 0.000 0.683 565 A CB -0.800 18.140 19.000 -0.100 0.000 0.808 565 A HN 0.728 nan 8.150 nan 0.000 0.455 566 T N -3.545 110.895 114.554 -0.190 0.000 3.022 566 T HA 0.256 4.606 4.350 -0.000 0.000 0.250 566 T C 0.813 175.463 174.700 -0.083 0.000 1.060 566 T CA -0.433 61.562 62.100 -0.174 0.000 1.013 566 T CB 0.165 68.792 68.868 -0.400 0.000 0.982 566 T HN 0.130 nan 8.240 nan 0.000 0.508 567 R N 2.016 122.460 120.500 -0.094 0.000 2.500 567 R HA 0.373 4.713 4.340 -0.000 0.000 0.277 567 R C -2.198 174.050 176.300 -0.087 0.000 1.026 567 R CA -2.592 53.472 56.100 -0.059 0.000 1.058 567 R CB 0.487 30.757 30.300 -0.050 0.000 1.078 567 R HN 0.038 nan 8.270 nan 0.000 0.509 568 P HA 0.045 nan 4.420 nan 0.000 0.245 568 P C -0.092 177.153 177.300 -0.091 0.000 1.212 568 P CA 0.473 63.521 63.100 -0.087 0.000 0.774 568 P CB 0.325 31.997 31.700 -0.047 0.000 0.999 569 D N -0.790 119.568 120.400 -0.069 0.000 2.228 569 D HA -0.184 4.456 4.640 -0.000 0.000 0.203 569 D C 1.771 178.036 176.300 -0.059 0.000 0.988 569 D CA 1.065 55.039 54.000 -0.042 0.000 0.864 569 D CB -0.576 40.206 40.800 -0.029 0.000 0.928 569 D HN 0.197 nan 8.370 nan 0.000 0.469 570 M N -0.025 119.470 119.600 -0.175 0.000 2.123 570 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 570 M C 1.853 177.896 176.300 -0.428 0.000 1.069 570 M CA 1.341 56.448 55.300 -0.322 0.000 1.133 570 M CB -0.148 32.098 32.600 -0.590 0.000 1.356 570 M HN -0.112 nan 8.290 nan 0.000 0.415 571 T N 1.352 115.662 114.554 -0.406 0.000 2.624 571 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 571 T C 1.781 176.467 174.700 -0.022 0.000 1.041 571 T CA 1.915 63.882 62.100 -0.222 0.000 1.159 571 T CB -0.698 68.079 68.868 -0.152 0.000 0.863 571 T HN 0.631 nan 8.240 nan 0.000 0.434 572 A N 1.285 124.100 122.820 -0.009 0.000 1.869 572 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 572 A C 2.044 179.704 177.584 0.126 0.000 1.203 572 A CA 2.654 54.724 52.037 0.054 0.000 0.638 572 A CB -1.225 17.804 19.000 0.048 0.000 0.831 572 A HN 0.739 nan 8.150 nan 0.000 0.450 573 H N -2.276 116.842 119.070 0.079 0.000 2.387 573 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 573 H C 1.733 177.252 175.328 0.319 0.000 1.090 573 H CA 2.029 58.178 56.048 0.168 0.000 1.332 573 H CB -0.303 29.560 29.762 0.168 0.000 1.386 573 H HN 0.599 nan 8.280 nan 0.000 0.516 574 W N 1.403 122.617 121.300 -0.145 0.000 2.380 574 W HA -0.044 4.616 4.660 -0.000 0.000 0.317 574 W C 2.471 178.866 176.519 -0.207 0.000 1.196 574 W CA 1.049 58.305 57.345 -0.148 0.000 1.307 574 W CB -0.736 28.722 29.460 -0.004 0.000 1.157 574 W HN 0.246 nan 8.180 nan 0.000 0.483 575 E N -0.117 120.167 120.200 0.139 0.000 2.070 575 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 575 E C 2.185 178.768 176.600 -0.027 0.000 1.004 575 E CA 1.791 58.206 56.400 0.025 0.000 0.805 575 E CB -1.189 28.537 29.700 0.042 0.000 0.744 575 E HN 0.154 nan 8.360 nan 0.000 0.451 576 S N 0.218 115.919 115.700 0.002 0.000 2.372 576 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 576 S C 2.110 176.680 174.600 -0.051 0.000 1.044 576 S CA 1.688 59.886 58.200 -0.003 0.000 1.050 576 S CB -0.127 63.103 63.200 0.051 0.000 0.901 576 S HN 0.104 nan 8.310 nan 0.000 0.447 577 V N 1.576 121.419 119.914 -0.117 0.000 2.591 577 V HA -0.006 4.114 4.120 -0.000 0.000 0.249 577 V C 2.274 178.215 176.094 -0.255 0.000 1.053 577 V CA 1.298 63.509 62.300 -0.149 0.000 1.068 577 V CB -0.625 31.129 31.823 -0.116 0.000 0.689 577 V HN 0.434 nan 8.190 nan 0.000 0.462 578 L N -0.141 120.875 121.223 -0.345 0.000 2.056 578 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 578 L C 2.662 179.424 176.870 -0.179 0.000 1.078 578 L CA 1.812 56.434 54.840 -0.364 0.000 0.749 578 L CB -1.043 40.801 42.059 -0.359 0.000 0.901 578 L HN 0.330 nan 8.230 nan 0.000 0.433 579 T N -0.951 113.537 114.554 -0.111 0.000 2.684 579 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 579 T C 1.874 176.546 174.700 -0.047 0.000 1.036 579 T CA 1.373 63.438 62.100 -0.058 0.000 1.148 579 T CB -0.277 68.572 68.868 -0.032 0.000 0.863 579 T HN 0.342 nan 8.240 nan 0.000 0.436 580 Q N 0.308 120.080 119.800 -0.047 0.000 2.112 580 Q HA -0.100 4.240 4.340 -0.000 0.000 0.206 580 Q C 2.363 178.363 176.000 0.001 0.000 0.987 580 Q CA 1.504 57.295 55.803 -0.020 0.000 0.858 580 Q CB -0.505 28.226 28.738 -0.013 0.000 0.905 580 Q HN 0.553 nan 8.270 nan 0.000 0.420 581 I N 0.305 120.858 120.570 -0.027 0.000 2.226 581 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 581 I C 2.531 178.648 176.117 -0.002 0.000 1.100 581 I CA 1.339 62.643 61.300 0.008 0.000 1.374 581 I CB -0.448 37.490 38.000 -0.104 0.000 1.057 581 I HN 0.223 nan 8.210 nan 0.000 0.413 582 S N 0.086 115.760 115.700 -0.044 0.000 2.481 582 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 582 S C 1.423 176.024 174.600 0.002 0.000 0.996 582 S CA 0.781 58.961 58.200 -0.033 0.000 0.942 582 S CB -0.302 62.878 63.200 -0.034 0.000 0.768 582 S HN 0.495 nan 8.310 nan 0.000 0.520 583 E N 0.503 120.712 120.200 0.015 0.000 2.451 583 E HA 0.299 4.649 4.350 -0.000 0.000 0.194 583 E C -0.056 176.565 176.600 0.035 0.000 1.027 583 E CA -0.308 56.097 56.400 0.010 0.000 0.914 583 E CB 0.069 29.764 29.700 -0.009 0.000 1.054 583 E HN 0.428 nan 8.360 nan 0.000 0.461 584 K N 0.064 120.531 120.400 0.113 0.000 3.407 584 K HA -0.237 4.083 4.320 -0.000 0.000 0.312 584 K C 0.833 177.439 176.600 0.010 0.000 1.302 584 K CA 0.656 57.013 56.287 0.117 0.000 0.931 584 K CB -0.595 31.927 32.500 0.037 0.000 1.257 584 K HN 0.128 nan 8.250 nan 0.000 0.454 585 Q N -0.923 118.891 119.800 0.024 0.000 2.392 585 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 585 Q C 0.821 176.815 176.000 -0.011 0.000 0.917 585 Q CA 1.094 56.890 55.803 -0.012 0.000 0.939 585 Q CB 0.706 29.438 28.738 -0.011 0.000 1.063 585 Q HN 0.540 nan 8.270 nan 0.000 0.516 586 C N -0.762 118.555 119.300 0.029 0.000 3.181 586 C HA 0.609 5.069 4.460 -0.000 0.000 0.362 586 C C -0.602 174.450 174.990 0.103 0.000 1.125 586 C CA -1.256 57.774 59.018 0.020 0.000 1.265 586 C CB 1.372 29.126 27.740 0.022 0.000 1.632 586 C HN 0.235 nan 8.230 nan 0.000 0.525 587 R N 1.667 122.156 120.500 -0.018 0.000 2.707 587 R HA 0.240 4.580 4.340 -0.000 0.000 0.270 587 R C 0.965 177.368 176.300 0.172 0.000 1.083 587 R CA -0.066 56.010 56.100 -0.041 0.000 1.182 587 R CB 0.417 30.328 30.300 -0.649 0.000 1.084 587 R HN 0.875 nan 8.270 nan 0.000 0.528 588 Y N 1.372 121.859 120.300 0.311 0.000 2.069 588 Y HA -0.363 4.187 4.550 -0.000 0.000 0.278 588 Y C 1.976 178.029 175.900 0.255 0.000 1.175 588 Y CA 1.925 60.226 58.100 0.336 0.000 1.134 588 Y CB 0.083 38.807 38.460 0.441 0.000 0.965 588 Y HN 0.470 nan 8.280 nan 0.000 0.498 589 Q N 0.176 120.201 119.800 0.374 0.000 2.291 589 Q HA -0.171 4.169 4.340 -0.000 0.000 0.205 589 Q C 1.640 177.643 176.000 0.005 0.000 0.970 589 Q CA 1.526 57.430 55.803 0.168 0.000 0.876 589 Q CB -0.332 28.596 28.738 0.316 0.000 0.935 589 Q HN 0.695 nan 8.270 nan 0.000 0.455 590 D N -0.471 119.939 120.400 0.017 0.000 2.312 590 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 590 D C 1.469 177.777 176.300 0.014 0.000 0.964 590 D CA 0.450 54.455 54.000 0.007 0.000 0.877 590 D CB -0.016 40.792 40.800 0.013 0.000 0.924 590 D HN 0.192 nan 8.370 nan 0.000 0.515 591 F N 0.848 120.697 119.950 -0.167 0.000 2.220 591 F HA 0.048 4.575 4.527 -0.000 0.000 0.290 591 F C 2.064 177.682 175.800 -0.304 0.000 1.080 591 F CA 0.529 58.380 58.000 -0.248 0.000 1.318 591 F CB -0.100 38.712 39.000 -0.312 0.000 1.063 591 F HN -0.247 nan 8.300 nan 0.000 0.498 592 M N 0.427 119.639 119.600 -0.647 0.000 2.248 592 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 592 M C 2.058 178.113 176.300 -0.409 0.000 1.079 592 M CA 1.465 56.306 55.300 -0.764 0.000 1.150 592 M CB -0.689 31.440 32.600 -0.784 0.000 1.366 592 M HN 0.060 nan 8.290 nan 0.000 0.433 593 Q N 0.322 119.987 119.800 -0.224 0.000 2.061 593 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 593 Q C -0.399 175.553 176.000 -0.079 0.000 0.984 593 Q CA 2.103 57.852 55.803 -0.089 0.000 0.846 593 Q CB -2.247 26.476 28.738 -0.025 0.000 0.902 593 Q HN 0.391 nan 8.270 nan 0.000 0.421 594 P HA -0.131 nan 4.420 nan 0.000 0.217 594 P C 1.638 178.910 177.300 -0.046 0.000 1.150 594 P CA 0.746 63.818 63.100 -0.045 0.000 0.832 594 P CB -0.174 31.517 31.700 -0.015 0.000 0.787 595 L N -0.350 120.763 121.223 -0.183 0.000 2.012 595 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 595 L C 2.197 179.067 176.870 0.001 0.000 1.073 595 L CA 1.879 56.640 54.840 -0.130 0.000 0.748 595 L CB -1.215 40.586 42.059 -0.429 0.000 0.891 595 L HN -0.207 nan 8.230 nan 0.000 0.431 596 V N 0.321 120.227 119.914 -0.013 0.000 2.392 596 V HA -0.255 3.865 4.120 -0.000 0.000 0.249 596 V C 2.608 178.827 176.094 0.209 0.000 1.059 596 V CA 1.821 64.186 62.300 0.109 0.000 1.051 596 V CB -1.637 30.265 31.823 0.132 0.000 0.658 596 V HN 0.681 nan 8.190 nan 0.000 0.455 597 G N -0.484 108.396 108.800 0.133 0.000 2.459 597 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 597 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 597 G C 1.695 176.687 174.900 0.153 0.000 1.183 597 G CA 1.571 46.752 45.100 0.135 0.000 0.776 597 G HN 0.458 nan 8.290 nan 0.000 0.552 598 T N 1.040 115.668 114.554 0.123 0.000 2.759 598 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 598 T C 2.255 177.044 174.700 0.147 0.000 1.042 598 T CA 1.218 63.397 62.100 0.132 0.000 1.140 598 T CB -0.219 68.737 68.868 0.147 0.000 0.864 598 T HN 0.114 nan 8.240 nan 0.000 0.455 599 L N -0.136 121.174 121.223 0.145 0.000 2.083 599 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 599 L C 2.034 178.902 176.870 -0.004 0.000 1.083 599 L CA 1.621 56.506 54.840 0.075 0.000 0.752 599 L CB -0.638 41.441 42.059 0.033 0.000 0.899 599 L HN 0.271 nan 8.230 nan 0.000 0.433 600 Y N -0.510 119.808 120.300 0.030 0.000 2.200 600 Y HA -0.280 4.270 4.550 -0.000 0.000 0.290 600 Y C 2.829 178.736 175.900 0.011 0.000 1.137 600 Y CA 1.958 60.064 58.100 0.009 0.000 1.163 600 Y CB -0.150 38.313 38.460 0.006 0.000 0.988 600 Y HN 0.322 nan 8.280 nan 0.000 0.518 601 Q N 0.177 120.085 119.800 0.180 0.000 2.020 601 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 601 Q C 2.210 178.257 176.000 0.078 0.000 0.982 601 Q CA 1.870 57.739 55.803 0.110 0.000 0.838 601 Q CB -0.336 28.458 28.738 0.093 0.000 0.899 601 Q HN 0.489 nan 8.270 nan 0.000 0.423 602 L N 0.303 121.572 121.223 0.077 0.000 2.043 602 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 602 L C 2.336 179.229 176.870 0.039 0.000 1.075 602 L CA 0.821 55.702 54.840 0.069 0.000 0.752 602 L CB -0.430 41.677 42.059 0.080 0.000 0.891 602 L HN 0.382 nan 8.230 nan 0.000 0.432 603 I N -0.350 120.214 120.570 -0.010 0.000 2.315 603 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 603 I C 2.166 178.261 176.117 -0.038 0.000 1.117 603 I CA 1.432 62.694 61.300 -0.063 0.000 1.404 603 I CB -0.969 36.946 38.000 -0.141 0.000 1.071 603 I HN 0.324 nan 8.210 nan 0.000 0.419 604 D N 0.784 121.190 120.400 0.011 0.000 2.097 604 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 604 D C 2.229 178.535 176.300 0.010 0.000 0.989 604 D CA 1.444 55.457 54.000 0.021 0.000 0.827 604 D CB 0.094 40.925 40.800 0.052 0.000 0.966 604 D HN 0.296 nan 8.370 nan 0.000 0.456 605 Q N -0.335 119.480 119.800 0.025 0.000 2.135 605 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 605 Q C 2.218 178.229 176.000 0.018 0.000 0.981 605 Q CA 1.452 57.274 55.803 0.032 0.000 0.856 605 Q CB -0.193 28.578 28.738 0.054 0.000 0.902 605 Q HN 0.363 nan 8.270 nan 0.000 0.425 606 A N 1.306 124.118 122.820 -0.013 0.000 1.902 606 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 606 A C 1.846 179.338 177.584 -0.153 0.000 1.181 606 A CA 1.455 53.406 52.037 -0.145 0.000 0.623 606 A CB -0.270 18.524 19.000 -0.344 0.000 0.818 606 A HN 0.171 nan 8.150 nan 0.000 0.443 607 K N -0.708 119.629 120.400 -0.105 0.000 2.283 607 K HA -0.030 4.290 4.320 -0.000 0.000 0.202 607 K C 1.007 177.581 176.600 -0.042 0.000 1.048 607 K CA 0.893 57.131 56.287 -0.081 0.000 0.948 607 K CB -0.027 32.439 32.500 -0.057 0.000 0.742 607 K HN 0.373 nan 8.250 nan 0.000 0.458 608 R N 0.596 121.083 120.500 -0.022 0.000 2.694 608 R HA 0.120 4.460 4.340 -0.000 0.000 0.334 608 R C -0.529 175.780 176.300 0.014 0.000 1.143 608 R CA -0.036 56.063 56.100 -0.001 0.000 1.073 608 R CB 0.877 31.180 30.300 0.005 0.000 1.366 608 R HN -0.083 nan 8.270 nan 0.000 0.577 609 T N 2.584 117.150 114.554 0.020 0.000 2.795 609 T HA 0.269 4.618 4.350 -0.000 0.000 0.282 609 T C -2.375 172.385 174.700 0.101 0.000 0.980 609 T CA -1.613 60.527 62.100 0.067 0.000 1.012 609 T CB 1.720 70.653 68.868 0.109 0.000 0.936 609 T HN -0.069 nan 8.240 nan 0.000 0.457 610 P HA 0.127 nan 4.420 nan 0.000 0.264 610 P C 0.931 178.339 177.300 0.180 0.000 1.229 610 P CA -0.102 63.050 63.100 0.088 0.000 0.780 610 P CB 0.427 32.148 31.700 0.035 0.000 0.808 611 V N 4.433 124.474 119.914 0.212 0.000 2.490 611 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 611 V C 2.307 178.578 176.094 0.295 0.000 1.061 611 V CA 2.113 64.611 62.300 0.330 0.000 1.064 611 V CB -0.806 31.108 31.823 0.152 0.000 0.670 611 V HN 0.609 nan 8.190 nan 0.000 0.461 612 R N 2.127 122.711 120.500 0.140 0.000 2.174 612 R HA -0.287 4.053 4.340 -0.000 0.000 0.253 612 R C 1.969 178.304 176.300 0.058 0.000 1.165 612 R CA 2.261 58.411 56.100 0.084 0.000 0.984 612 R CB -1.251 29.074 30.300 0.041 0.000 0.873 612 R HN 0.774 nan 8.270 nan 0.000 0.456 613 Q N -0.302 119.492 119.800 -0.011 0.000 2.187 613 Q HA -0.012 4.328 4.340 -0.000 0.000 0.199 613 Q C 1.288 177.216 176.000 -0.120 0.000 0.957 613 Q CA 0.886 56.612 55.803 -0.129 0.000 0.857 613 Q CB -0.400 28.177 28.738 -0.268 0.000 0.929 613 Q HN 0.441 nan 8.270 nan 0.000 0.453 614 F N 1.425 121.390 119.950 0.024 0.000 2.722 614 F HA 0.066 4.593 4.527 -0.000 0.000 0.298 614 F C 0.674 176.488 175.800 0.023 0.000 1.175 614 F CA -0.215 57.793 58.000 0.012 0.000 1.462 614 F CB -0.252 38.763 39.000 0.026 0.000 1.111 614 F HN -0.042 nan 8.300 nan 0.000 0.592 615 R N 2.388 122.990 120.500 0.171 0.000 4.465 615 R HA -0.104 4.236 4.340 -0.000 0.000 0.211 615 R C 0.717 177.102 176.300 0.141 0.000 0.394 615 R CA -0.213 55.967 56.100 0.134 0.000 0.944 615 R CB -1.394 28.954 30.300 0.080 0.000 0.933 615 R HN 0.339 nan 8.270 nan 0.000 0.283 616 G N 5.017 113.925 108.800 0.180 0.000 2.919 616 G HA2 0.003 3.963 3.960 -0.000 0.000 0.332 616 G HA3 0.003 3.963 3.960 -0.000 0.000 0.332 616 G C -0.181 174.837 174.900 0.197 0.000 0.213 616 G CA 0.804 46.037 45.100 0.221 0.000 1.223 616 G HN 0.708 nan 8.290 nan 0.000 0.304 647 V N 2.646 122.630 119.914 0.117 0.000 2.356 647 V HA 0.370 4.490 4.120 -0.000 0.000 0.244 647 V C 1.057 177.208 176.094 0.095 0.000 1.120 647 V CA 1.310 63.660 62.300 0.083 0.000 1.181 647 V CB -0.349 31.529 31.823 0.091 0.000 1.244 647 V HN 0.943 nan 8.190 nan 0.000 0.487 648 G N 3.739 112.571 108.800 0.053 0.000 2.797 648 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.192 648 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.192 648 G C 0.189 175.093 174.900 0.008 0.000 1.101 648 G CA -0.011 45.117 45.100 0.047 0.000 0.930 648 G HN 1.173 nan 8.290 nan 0.000 0.512 649 S N -1.279 114.416 115.700 -0.009 0.000 2.846 649 S HA 0.440 4.910 4.470 -0.000 0.000 0.249 649 S C 1.669 176.252 174.600 -0.029 0.000 1.028 649 S CA 0.925 59.095 58.200 -0.049 0.000 1.043 649 S CB 0.916 64.076 63.200 -0.067 0.000 0.990 649 S HN 1.609 nan 8.310 nan 0.000 0.564 650 G N 0.511 109.311 108.800 0.000 0.000 3.186 650 G HA2 0.468 4.428 3.960 -0.000 0.000 0.214 650 G HA3 0.468 4.428 3.960 -0.000 0.000 0.214 650 G C 0.806 175.731 174.900 0.041 0.000 1.222 650 G CA 0.406 45.526 45.100 0.033 0.000 0.921 650 G HN 0.739 nan 8.290 nan 0.000 0.504 651 A N 0.043 122.877 122.820 0.022 0.000 1.977 651 A HA 0.328 4.648 4.320 -0.000 0.000 0.197 651 A C 1.863 179.480 177.584 0.054 0.000 1.554 651 A CA 0.401 52.453 52.037 0.025 0.000 1.037 651 A CB -0.126 18.873 19.000 -0.000 0.000 1.083 651 A HN 0.376 nan 8.150 nan 0.000 0.471 652 I N -0.301 120.248 120.570 -0.035 0.000 2.546 652 I HA -0.051 4.119 4.170 -0.000 0.000 0.255 652 I C 2.104 178.171 176.117 -0.083 0.000 1.163 652 I CA 1.443 62.685 61.300 -0.097 0.000 1.457 652 I CB -0.019 37.765 38.000 -0.361 0.000 1.092 652 I HN 0.240 nan 8.210 nan 0.000 0.434 653 A N 0.223 123.016 122.820 -0.045 0.000 1.969 653 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 653 A C 1.880 179.510 177.584 0.077 0.000 1.169 653 A CA 1.637 53.653 52.037 -0.035 0.000 0.635 653 A CB -0.984 18.005 19.000 -0.018 0.000 0.810 653 A HN 0.614 nan 8.150 nan 0.000 0.445 654 H N -2.420 116.700 119.070 0.084 0.000 2.462 654 H HA -0.037 4.519 4.556 -0.000 0.000 0.292 654 H C 1.909 177.368 175.328 0.219 0.000 1.049 654 H CA 1.593 57.721 56.048 0.133 0.000 1.334 654 H CB -0.142 29.678 29.762 0.097 0.000 1.404 654 H HN 0.755 nan 8.280 nan 0.000 0.544 655 H N -0.795 118.430 119.070 0.258 0.000 2.428 655 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 655 H C 1.502 177.004 175.328 0.290 0.000 1.062 655 H CA 1.516 57.717 56.048 0.254 0.000 1.350 655 H CB 0.128 30.042 29.762 0.253 0.000 1.403 655 H HN 0.344 nan 8.280 nan 0.000 0.533 656 H N -1.961 117.169 119.070 0.099 0.000 2.502 656 H HA 0.056 4.612 4.556 -0.000 0.000 0.283 656 H C 1.688 177.022 175.328 0.011 0.000 1.015 656 H CA 1.301 57.370 56.048 0.034 0.000 1.298 656 H CB -0.048 29.769 29.762 0.092 0.000 1.411 656 H HN 0.523 nan 8.280 nan 0.000 0.556 657 H N -1.237 117.883 119.070 0.083 0.000 2.591 657 H HA 0.110 4.666 4.556 -0.000 0.000 0.333 657 H C 0.850 176.192 175.328 0.024 0.000 1.222 657 H CA 0.507 56.575 56.048 0.034 0.000 1.819 657 H CB 0.020 29.785 29.762 0.005 0.000 1.581 657 H HN 0.282 nan 8.280 nan 0.000 0.682 658 H N 0.000 119.202 119.070 0.219 0.000 2.539 658 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 658 H CA 0.000 56.116 56.048 0.114 0.000 1.023 658 H CB 0.000 29.869 29.762 0.179 0.000 1.292 658 H HN 0.000 nan 8.280 nan 0.000 0.496