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 2o5e_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 VRQFRGIVAP XXXXXXXXXX XXXXXXXXXX XXXXXEVGSG DATA SEQUENCE AIAHHHHHH 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 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 R N 3.130 123.633 120.500 0.006 0.000 2.387 2 R HA 0.764 5.104 4.340 -0.000 0.000 0.314 2 R C -1.857 174.422 176.300 -0.034 0.000 0.958 2 R CA -0.619 55.459 56.100 -0.036 0.000 0.846 2 R CB 1.581 31.859 30.300 -0.038 0.000 1.147 2 R HN 0.671 nan 8.270 nan 0.000 0.447 3 L N 4.971 126.129 121.223 -0.108 0.000 2.322 3 L HA 0.532 4.872 4.340 -0.000 0.000 0.281 3 L C -1.640 175.133 176.870 -0.160 0.000 1.014 3 L CA -0.183 54.609 54.840 -0.080 0.000 0.815 3 L CB 1.183 43.196 42.059 -0.077 0.000 1.247 3 L HN 0.542 nan 8.230 nan 0.000 0.421 4 F N 5.424 125.333 119.950 -0.068 0.000 2.421 4 F HA 0.538 5.065 4.527 -0.000 0.000 0.337 4 F C 0.079 175.855 175.800 -0.039 0.000 1.105 4 F CA -0.379 57.597 58.000 -0.039 0.000 1.049 4 F CB 1.390 40.376 39.000 -0.024 0.000 1.139 4 F HN 0.230 nan 8.300 nan 0.000 0.479 5 I N 3.581 124.218 120.570 0.111 0.000 2.371 5 I HA 0.436 4.606 4.170 -0.000 0.000 0.282 5 I C -0.053 176.106 176.117 0.070 0.000 1.031 5 I CA -0.619 60.711 61.300 0.050 0.000 1.180 5 I CB 0.924 38.888 38.000 -0.059 0.000 1.336 5 I HN 0.657 nan 8.210 nan 0.000 0.467 6 A N 4.250 127.160 122.820 0.150 0.000 2.322 6 A HA 0.237 4.557 4.320 -0.000 0.000 0.269 6 A C 1.258 178.899 177.584 0.095 0.000 1.094 6 A CA -0.298 51.816 52.037 0.128 0.000 0.807 6 A CB 0.710 19.800 19.000 0.151 0.000 1.047 6 A HN 0.802 nan 8.150 nan 0.000 0.487 7 E N 0.891 121.115 120.200 0.040 0.000 2.114 7 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 7 E C 0.603 177.231 176.600 0.045 0.000 1.008 7 E CA 2.325 58.735 56.400 0.017 0.000 0.810 7 E CB -0.102 29.604 29.700 0.010 0.000 0.739 7 E HN 0.684 nan 8.360 nan 0.000 0.456 8 K N -4.226 116.192 120.400 0.029 0.000 2.617 8 K HA 0.227 4.547 4.320 -0.000 0.000 0.293 8 K C -2.608 173.808 176.600 -0.305 0.000 1.034 8 K CA -1.194 55.059 56.287 -0.057 0.000 0.884 8 K CB 1.170 33.632 32.500 -0.063 0.000 1.541 8 K HN -0.356 nan 8.250 nan 0.000 0.409 9 P HA -0.242 nan 4.420 nan 0.000 0.215 9 P C 1.615 178.565 177.300 -0.583 0.000 1.157 9 P CA 2.272 64.730 63.100 -1.070 0.000 0.868 9 P CB 0.020 31.146 31.700 -0.957 0.000 0.788 10 S N -0.948 114.534 115.700 -0.363 0.000 2.383 10 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 10 S C 1.950 176.412 174.600 -0.231 0.000 1.030 10 S CA 1.188 59.229 58.200 -0.264 0.000 1.002 10 S CB -1.535 61.545 63.200 -0.201 0.000 0.829 10 S HN 0.008 nan 8.310 nan 0.000 0.467 11 L N 1.582 122.690 121.223 -0.192 0.000 2.109 11 L HA 0.256 4.596 4.340 -0.000 0.000 0.207 11 L C 2.815 179.605 176.870 -0.134 0.000 1.086 11 L CA 1.415 56.174 54.840 -0.134 0.000 0.760 11 L CB -0.943 41.078 42.059 -0.062 0.000 0.910 11 L HN 0.391 nan 8.230 nan 0.000 0.437 12 A N -0.369 122.360 122.820 -0.151 0.000 1.940 12 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 12 A C 2.394 179.887 177.584 -0.151 0.000 1.176 12 A CA 1.886 53.873 52.037 -0.083 0.000 0.631 12 A CB -0.544 18.482 19.000 0.042 0.000 0.814 12 A HN 0.462 nan 8.150 nan 0.000 0.446 13 R N -0.698 119.670 120.500 -0.219 0.000 2.073 13 R HA -0.069 4.270 4.340 -0.000 0.000 0.234 13 R C 2.491 178.688 176.300 -0.172 0.000 1.134 13 R CA 1.202 57.185 56.100 -0.195 0.000 0.952 13 R CB -0.499 29.680 30.300 -0.201 0.000 0.850 13 R HN 0.505 nan 8.270 nan 0.000 0.433 14 A N 1.007 123.727 122.820 -0.165 0.000 1.978 14 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 14 A C 2.080 179.573 177.584 -0.151 0.000 1.170 14 A CA 1.284 53.235 52.037 -0.144 0.000 0.636 14 A CB -0.457 18.457 19.000 -0.143 0.000 0.810 14 A HN 0.213 nan 8.150 nan 0.000 0.448 15 I N -0.877 119.582 120.570 -0.186 0.000 2.333 15 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 15 I C 2.958 178.880 176.117 -0.324 0.000 1.106 15 I CA 0.812 61.952 61.300 -0.266 0.000 1.411 15 I CB -0.388 37.410 38.000 -0.338 0.000 1.082 15 I HN 0.333 nan 8.210 nan 0.000 0.420 16 A N 0.667 123.300 122.820 -0.311 0.000 1.908 16 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 16 A C 1.862 179.209 177.584 -0.396 0.000 1.181 16 A CA 2.363 54.157 52.037 -0.406 0.000 0.627 16 A CB -0.905 17.854 19.000 -0.402 0.000 0.818 16 A HN 0.371 nan 8.150 nan 0.000 0.445 17 D N -0.856 119.414 120.400 -0.216 0.000 2.220 17 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 17 D C 1.634 177.942 176.300 0.015 0.000 1.001 17 D CA 2.071 56.042 54.000 -0.048 0.000 0.875 17 D CB -0.043 40.727 40.800 -0.050 0.000 0.921 17 D HN 0.510 nan 8.370 nan 0.000 0.454 18 V N -2.072 117.807 119.914 -0.059 0.000 3.483 18 V HA 0.307 4.427 4.120 -0.000 0.000 0.301 18 V C 0.343 176.426 176.094 -0.018 0.000 1.389 18 V CA -0.292 61.992 62.300 -0.026 0.000 1.101 18 V CB -0.437 31.359 31.823 -0.045 0.000 0.971 18 V HN -0.036 nan 8.190 nan 0.000 0.434 19 L N 0.710 121.914 121.223 -0.031 0.000 2.400 19 L HA 0.586 4.926 4.340 -0.000 0.000 0.264 19 L C -2.152 174.810 176.870 0.154 0.000 1.061 19 L CA -2.172 52.671 54.840 0.004 0.000 0.799 19 L CB 0.952 42.950 42.059 -0.102 0.000 1.240 19 L HN 0.006 nan 8.230 nan 0.000 0.461 20 P HA 0.056 nan 4.420 nan 0.000 0.266 20 P C -1.013 176.390 177.300 0.173 0.000 1.195 20 P CA 0.053 63.222 63.100 0.116 0.000 0.768 20 P CB 0.400 32.145 31.700 0.075 0.000 0.838 21 K N 3.331 123.717 120.400 -0.024 0.000 2.107 21 K HA 0.356 4.676 4.320 -0.000 0.000 0.251 21 K C -1.748 174.807 176.600 -0.076 0.000 1.012 21 K CA -1.443 54.689 56.287 -0.258 0.000 0.920 21 K CB -0.100 32.175 32.500 -0.376 0.000 1.033 21 K HN 0.468 nan 8.250 nan 0.000 0.478 22 P HA 0.138 nan 4.420 nan 0.000 0.276 22 P C -1.172 176.154 177.300 0.044 0.000 1.261 22 P CA -0.250 62.781 63.100 -0.114 0.000 0.800 22 P CB 0.584 32.265 31.700 -0.031 0.000 1.066 23 H N -0.388 118.681 119.070 -0.000 0.000 2.675 23 H HA 0.293 4.849 4.556 -0.000 0.000 0.258 23 H C 0.274 175.599 175.328 -0.005 0.000 1.271 23 H CA -0.691 55.355 56.048 -0.003 0.000 1.462 23 H CB 0.964 30.716 29.762 -0.017 0.000 1.467 23 H HN 0.245 nan 8.280 nan 0.000 0.501 24 R N 3.487 124.060 120.500 0.123 0.000 2.288 24 R HA 0.082 4.422 4.340 -0.000 0.000 0.330 24 R C -0.491 175.804 176.300 -0.009 0.000 1.069 24 R CA -0.444 55.689 56.100 0.056 0.000 0.941 24 R CB 0.270 30.612 30.300 0.071 0.000 0.998 24 R HN 0.472 nan 8.270 nan 0.000 0.452 25 K N 2.696 123.070 120.400 -0.042 0.000 2.412 25 K HA 0.108 4.428 4.320 -0.000 0.000 0.281 25 K C 0.256 176.697 176.600 -0.265 0.000 1.027 25 K CA 0.212 56.428 56.287 -0.119 0.000 0.989 25 K CB 1.257 33.720 32.500 -0.063 0.000 0.935 25 K HN 0.755 nan 8.250 nan 0.000 0.475 26 G N 1.485 109.930 108.800 -0.592 0.000 3.042 26 G HA2 0.136 4.096 3.960 -0.000 0.000 0.278 26 G HA3 0.136 4.096 3.960 -0.000 0.000 0.278 26 G C -1.327 173.207 174.900 -0.611 0.000 1.371 26 G CA -0.615 43.924 45.100 -0.936 0.000 1.009 26 G HN 0.557 nan 8.290 nan 0.000 0.523 27 D N -0.459 119.726 120.400 -0.358 0.000 2.435 27 D HA 0.441 5.081 4.640 -0.000 0.000 0.230 27 D C 1.153 177.478 176.300 0.043 0.000 1.215 27 D CA 1.493 55.464 54.000 -0.049 0.000 0.947 27 D CB -0.174 40.659 40.800 0.056 0.000 1.048 27 D HN 0.941 nan 8.370 nan 0.000 0.512 28 G N 2.762 111.554 108.800 -0.015 0.000 2.157 28 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 28 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 28 G C 0.026 174.469 174.900 -0.762 0.000 0.982 28 G CA 0.272 45.214 45.100 -0.264 0.000 0.650 28 G HN 0.594 nan 8.290 nan 0.000 0.527 29 F N -1.783 117.880 119.950 -0.478 0.000 2.779 29 F HA 0.828 5.355 4.527 -0.000 0.000 0.316 29 F C -1.053 174.769 175.800 0.036 0.000 1.164 29 F CA -2.350 55.423 58.000 -0.378 0.000 0.924 29 F CB 0.981 39.814 39.000 -0.278 0.000 1.348 29 F HN 0.051 nan 8.300 nan 0.000 0.467 30 I N 1.361 122.041 120.570 0.183 0.000 2.499 30 I HA 0.345 4.514 4.170 -0.000 0.000 0.288 30 I C -1.080 175.131 176.117 0.157 0.000 1.048 30 I CA -0.562 60.785 61.300 0.079 0.000 1.062 30 I CB 2.066 40.100 38.000 0.056 0.000 1.238 30 I HN 0.715 nan 8.210 nan 0.000 0.426 31 E N 4.958 125.268 120.200 0.185 0.000 2.200 31 E HA 0.476 4.826 4.350 -0.000 0.000 0.283 31 E C -1.202 175.467 176.600 0.115 0.000 1.015 31 E CA -0.418 56.089 56.400 0.178 0.000 0.819 31 E CB 1.083 30.945 29.700 0.269 0.000 1.081 31 E HN 0.630 nan 8.360 nan 0.000 0.397 32 C N 2.819 122.171 119.300 0.086 0.000 2.531 32 C HA 0.708 5.168 4.460 -0.000 0.000 0.369 32 C C 0.929 175.992 174.990 0.122 0.000 1.258 32 C CA -0.725 58.372 59.018 0.132 0.000 1.876 32 C CB 1.056 28.824 27.740 0.047 0.000 2.256 32 C HN 0.920 nan 8.230 nan 0.000 0.510 33 G N 0.525 109.406 108.800 0.136 0.000 2.614 33 G HA2 0.339 4.299 3.960 -0.000 0.000 0.239 33 G HA3 0.339 4.299 3.960 -0.000 0.000 0.239 33 G C 0.235 175.180 174.900 0.074 0.000 1.240 33 G CA 0.441 45.593 45.100 0.087 0.000 0.842 33 G HN 1.114 nan 8.290 nan 0.000 0.584 34 N N -1.028 117.708 118.700 0.059 0.000 2.738 34 N HA -0.103 4.637 4.740 -0.000 0.000 0.249 34 N C 1.139 176.684 175.510 0.058 0.000 1.047 34 N CA 2.115 55.198 53.050 0.054 0.000 0.707 34 N CB -1.224 37.295 38.487 0.053 0.000 0.937 34 N HN 2.009 nan 8.380 nan 0.000 0.545 35 G N -0.001 108.832 108.800 0.056 0.000 2.421 35 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.300 35 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.300 35 G C -0.387 174.547 174.900 0.057 0.000 0.974 35 G CA 0.747 45.878 45.100 0.051 0.000 1.062 35 G HN 0.606 nan 8.290 nan 0.000 0.514 36 Q N -0.760 119.083 119.800 0.071 0.000 2.290 36 Q HA 0.587 4.927 4.340 -0.000 0.000 0.259 36 Q C -0.089 175.943 176.000 0.054 0.000 0.941 36 Q CA -0.543 55.323 55.803 0.104 0.000 0.912 36 Q CB 2.508 31.325 28.738 0.131 0.000 1.244 36 Q HN 0.220 nan 8.270 nan 0.000 0.441 37 V N 2.223 122.156 119.914 0.032 0.000 2.604 37 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 37 V C -0.234 175.855 176.094 -0.008 0.000 1.043 37 V CA -0.858 61.385 62.300 -0.096 0.000 0.888 37 V CB 2.234 33.801 31.823 -0.425 0.000 0.995 37 V HN 0.485 nan 8.190 nan 0.000 0.429 38 V N 3.295 123.201 119.914 -0.013 0.000 2.409 38 V HA 0.642 4.762 4.120 -0.000 0.000 0.291 38 V C 0.115 176.261 176.094 0.085 0.000 1.020 38 V CA -0.087 62.254 62.300 0.069 0.000 0.848 38 V CB 1.587 33.422 31.823 0.019 0.000 0.990 38 V HN 0.997 nan 8.190 nan 0.000 0.430 39 T N 3.882 118.466 114.554 0.050 0.000 2.724 39 T HA 0.848 5.198 4.350 -0.000 0.000 0.274 39 T C -1.650 173.144 174.700 0.157 0.000 0.984 39 T CA -0.419 61.618 62.100 -0.104 0.000 1.024 39 T CB 1.677 70.403 68.868 -0.238 0.000 1.320 39 T HN 0.846 nan 8.240 nan 0.000 0.555 40 W N -0.882 120.435 121.300 0.028 0.000 2.959 40 W HA 0.701 5.360 4.660 -0.000 0.000 0.358 40 W C -1.638 174.876 176.519 -0.008 0.000 1.228 40 W CA -1.063 56.280 57.345 -0.003 0.000 1.183 40 W CB 0.007 29.461 29.460 -0.010 0.000 1.467 40 W HN 0.643 nan 8.180 nan 0.000 0.578 41 C N 1.503 120.956 119.300 0.255 0.000 2.351 41 C HA 0.718 5.178 4.460 -0.000 0.000 0.359 41 C C 0.219 175.357 174.990 0.248 0.000 1.193 41 C CA -0.520 58.584 59.018 0.142 0.000 2.270 41 C CB 0.353 28.107 27.740 0.025 0.000 2.369 41 C HN 0.459 nan 8.230 nan 0.000 0.553 42 I N 2.742 123.409 120.570 0.162 0.000 2.405 42 I HA 0.482 4.652 4.170 -0.000 0.000 0.280 42 I C 0.946 177.112 176.117 0.082 0.000 1.027 42 I CA 0.394 61.783 61.300 0.147 0.000 1.161 42 I CB 0.252 38.349 38.000 0.163 0.000 1.300 42 I HN 1.033 nan 8.210 nan 0.000 0.463 43 G N 5.453 114.288 108.800 0.057 0.000 2.574 43 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.295 43 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.295 43 G C -0.058 174.846 174.900 0.006 0.000 1.300 43 G CA -0.323 44.807 45.100 0.051 0.000 0.944 43 G HN 0.686 nan 8.290 nan 0.000 0.551 44 H N 0.503 119.586 119.070 0.021 0.000 2.722 44 H HA 0.306 4.862 4.556 -0.000 0.000 0.328 44 H C 1.514 176.838 175.328 -0.008 0.000 1.067 44 H CA 0.286 56.337 56.048 0.004 0.000 1.447 44 H CB 0.914 30.677 29.762 0.002 0.000 1.469 44 H HN 0.341 nan 8.280 nan 0.000 0.544 45 L N 2.578 123.837 121.223 0.059 0.000 2.209 45 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 45 L C 0.298 177.148 176.870 -0.034 0.000 1.094 45 L CA 0.663 55.507 54.840 0.007 0.000 0.790 45 L CB 0.144 42.188 42.059 -0.025 0.000 0.932 45 L HN 0.320 nan 8.230 nan 0.000 0.447 46 L N 0.484 121.690 121.223 -0.029 0.000 2.334 46 L HA 0.412 4.752 4.340 -0.000 0.000 0.273 46 L C -0.039 176.817 176.870 -0.023 0.000 1.013 46 L CA -0.189 54.585 54.840 -0.109 0.000 0.816 46 L CB 1.598 43.544 42.059 -0.189 0.000 1.278 46 L HN 0.202 nan 8.230 nan 0.000 0.431 47 E N 1.221 121.389 120.200 -0.054 0.000 2.392 47 E HA 0.413 4.763 4.350 -0.000 0.000 0.269 47 E C -1.170 175.423 176.600 -0.013 0.000 0.924 47 E CA -0.960 55.420 56.400 -0.033 0.000 0.784 47 E CB 1.618 31.314 29.700 -0.007 0.000 1.292 47 E HN 0.352 nan 8.360 nan 0.000 0.447 48 Q N 0.508 120.313 119.800 0.008 0.000 2.315 48 Q HA 0.197 4.537 4.340 -0.000 0.000 0.289 48 Q C -0.002 176.049 176.000 0.084 0.000 1.044 48 Q CA 0.207 56.014 55.803 0.006 0.000 0.920 48 Q CB 0.906 29.598 28.738 -0.078 0.000 1.214 48 Q HN 0.606 nan 8.270 nan 0.000 0.392 49 A N 3.894 126.747 122.820 0.056 0.000 2.483 49 A HA 0.070 4.390 4.320 -0.000 0.000 0.238 49 A C 0.455 178.226 177.584 0.312 0.000 1.070 49 A CA -0.373 51.713 52.037 0.081 0.000 0.770 49 A CB 0.339 19.271 19.000 -0.114 0.000 1.008 49 A HN 0.605 nan 8.150 nan 0.000 0.497 50 Q N 1.412 121.396 119.800 0.307 0.000 2.492 50 Q HA 0.110 4.449 4.340 -0.000 0.000 0.238 50 Q C -1.644 174.681 176.000 0.543 0.000 1.045 50 Q CA -1.540 54.527 55.803 0.439 0.000 0.934 50 Q CB -0.372 28.524 28.738 0.262 0.000 1.276 50 Q HN 0.462 nan 8.270 nan 0.000 0.521 51 P HA -0.214 nan 4.420 nan 0.000 0.216 51 P C 0.770 178.402 177.300 0.554 0.000 1.153 51 P CA 1.683 65.137 63.100 0.589 0.000 0.858 51 P CB 0.040 31.876 31.700 0.227 0.000 0.789 52 D N -0.169 120.440 120.400 0.349 0.000 2.265 52 D HA -0.170 4.470 4.640 -0.000 0.000 0.208 52 D C 1.670 178.035 176.300 0.109 0.000 0.977 52 D CA 1.380 55.515 54.000 0.225 0.000 0.871 52 D CB -0.758 40.134 40.800 0.153 0.000 0.925 52 D HN 0.138 nan 8.370 nan 0.000 0.485 53 A N 0.131 122.976 122.820 0.042 0.000 2.019 53 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 53 A C 1.697 179.107 177.584 -0.288 0.000 1.164 53 A CA 0.873 52.803 52.037 -0.180 0.000 0.644 53 A CB -0.850 17.948 19.000 -0.335 0.000 0.805 53 A HN 0.295 nan 8.150 nan 0.000 0.449 54 Y N -1.001 119.358 120.300 0.098 0.000 2.448 54 Y HA 0.182 4.732 4.550 -0.000 0.000 0.289 54 Y C 0.543 176.416 175.900 -0.045 0.000 1.114 54 Y CA 0.677 58.817 58.100 0.067 0.000 1.235 54 Y CB 0.561 39.122 38.460 0.168 0.000 1.045 54 Y HN 0.282 nan 8.280 nan 0.000 0.554 55 D N -1.317 119.048 120.400 -0.059 0.000 2.726 55 D HA 0.041 4.681 4.640 -0.000 0.000 0.203 55 D C 0.453 176.569 176.300 -0.307 0.000 1.297 55 D CA 0.403 54.193 54.000 -0.350 0.000 0.863 55 D CB 1.337 41.653 40.800 -0.806 0.000 1.669 55 D HN 0.052 nan 8.370 nan 0.000 0.561 56 S N 3.471 119.075 115.700 -0.160 0.000 2.440 56 S HA -0.243 4.227 4.470 -0.000 0.000 0.238 56 S C 1.674 176.247 174.600 -0.045 0.000 1.010 56 S CA 0.968 59.128 58.200 -0.067 0.000 0.972 56 S CB -0.303 62.871 63.200 -0.044 0.000 0.774 56 S HN 0.687 nan 8.310 nan 0.000 0.501 57 R N -0.431 120.001 120.500 -0.113 0.000 2.307 57 R HA 0.021 4.361 4.340 -0.000 0.000 0.199 57 R C 0.830 177.196 176.300 0.110 0.000 1.000 57 R CA 0.660 56.747 56.100 -0.022 0.000 1.023 57 R CB -0.623 29.653 30.300 -0.039 0.000 0.908 57 R HN 0.422 nan 8.270 nan 0.000 0.473 58 Y N 1.131 121.473 120.300 0.070 0.000 2.616 58 Y HA 0.189 4.739 4.550 -0.000 0.000 0.296 58 Y C 2.436 178.398 175.900 0.104 0.000 1.154 58 Y CA -0.263 57.879 58.100 0.070 0.000 1.325 58 Y CB -0.401 38.108 38.460 0.082 0.000 1.007 58 Y HN 0.227 nan 8.280 nan 0.000 0.542 59 A N 0.187 123.159 122.820 0.253 0.000 1.969 59 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 59 A C 1.521 179.275 177.584 0.284 0.000 1.169 59 A CA 0.427 52.604 52.037 0.234 0.000 0.635 59 A CB -0.431 18.659 19.000 0.150 0.000 0.810 59 A HN 0.195 nan 8.150 nan 0.000 0.445 60 R N -0.142 120.502 120.500 0.239 0.000 2.267 60 R HA 0.217 4.557 4.340 -0.000 0.000 0.319 60 R C -1.525 174.975 176.300 0.333 0.000 1.067 60 R CA -0.687 55.555 56.100 0.237 0.000 0.936 60 R CB -0.175 30.212 30.300 0.146 0.000 1.006 60 R HN 0.361 nan 8.270 nan 0.000 0.452 61 W N 5.489 126.795 121.300 0.010 0.000 2.419 61 W HA 0.207 4.867 4.660 -0.000 0.000 0.312 61 W C -0.022 176.487 176.519 -0.017 0.000 1.323 61 W CA -0.160 57.177 57.345 -0.014 0.000 1.293 61 W CB -0.150 29.291 29.460 -0.031 0.000 1.324 61 W HN 0.748 nan 8.180 nan 0.000 0.512 62 N N 0.714 119.492 118.700 0.130 0.000 2.708 62 N HA 0.328 5.068 4.740 -0.000 0.000 0.257 62 N C -0.382 175.121 175.510 -0.011 0.000 1.373 62 N CA -0.841 52.248 53.050 0.066 0.000 0.843 62 N CB 0.908 39.437 38.487 0.069 0.000 1.503 62 N HN 0.202 nan 8.380 nan 0.000 0.504 63 L N -0.189 121.023 121.223 -0.019 0.000 2.217 63 L HA 0.109 4.448 4.340 -0.000 0.000 0.211 63 L C 2.300 179.142 176.870 -0.047 0.000 1.107 63 L CA 1.379 56.185 54.840 -0.057 0.000 0.783 63 L CB -0.569 41.459 42.059 -0.052 0.000 0.919 63 L HN 0.850 nan 8.230 nan 0.000 0.442 64 A N 0.031 122.843 122.820 -0.012 0.000 1.933 64 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 64 A C 1.745 179.334 177.584 0.009 0.000 1.175 64 A CA 1.848 53.889 52.037 0.006 0.000 0.628 64 A CB -0.368 18.648 19.000 0.026 0.000 0.814 64 A HN 0.348 nan 8.150 nan 0.000 0.444 65 D N -0.291 120.112 120.400 0.006 0.000 2.355 65 D HA 0.117 4.757 4.640 -0.000 0.000 0.218 65 D C 0.470 176.696 176.300 -0.124 0.000 1.004 65 D CA 0.231 54.236 54.000 0.008 0.000 0.880 65 D CB -0.137 40.716 40.800 0.089 0.000 0.911 65 D HN 0.402 nan 8.370 nan 0.000 0.528 66 L N 2.417 123.550 121.223 -0.151 0.000 2.371 66 L HA 0.281 4.621 4.340 -0.000 0.000 0.272 66 L C -1.994 174.752 176.870 -0.207 0.000 1.124 66 L CA -1.789 52.912 54.840 -0.232 0.000 0.816 66 L CB 0.459 42.375 42.059 -0.238 0.000 1.129 66 L HN -0.221 nan 8.230 nan 0.000 0.448 67 P HA 0.213 nan 4.420 nan 0.000 0.278 67 P C -0.647 176.420 177.300 -0.388 0.000 1.238 67 P CA -0.224 62.617 63.100 -0.432 0.000 0.794 67 P CB 1.093 32.416 31.700 -0.628 0.000 0.955 68 I N 2.322 122.636 120.570 -0.427 0.000 2.352 68 I HA 0.186 4.356 4.170 -0.000 0.000 0.290 68 I C -0.083 175.857 176.117 -0.294 0.000 1.036 68 I CA -0.358 60.658 61.300 -0.473 0.000 1.336 68 I CB 0.944 38.539 38.000 -0.673 0.000 1.407 68 I HN 0.013 nan 8.210 nan 0.000 0.497 69 V N 8.049 127.811 119.914 -0.253 0.000 2.509 69 V HA 0.305 4.425 4.120 -0.000 0.000 0.289 69 V C -2.248 173.636 176.094 -0.350 0.000 1.026 69 V CA -1.394 60.771 62.300 -0.225 0.000 0.872 69 V CB 1.494 33.261 31.823 -0.094 0.000 1.017 69 V HN 0.593 nan 8.190 nan 0.000 0.436 70 P HA 0.344 nan 4.420 nan 0.000 0.275 70 P C 0.521 177.513 177.300 -0.512 0.000 1.228 70 P CA -0.240 62.305 63.100 -0.925 0.000 0.786 70 P CB 1.247 31.788 31.700 -1.932 0.000 0.927 71 E N 0.812 120.865 120.200 -0.246 0.000 2.201 71 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 71 E C 0.015 176.610 176.600 -0.007 0.000 0.957 71 E CA 0.959 57.319 56.400 -0.066 0.000 0.858 71 E CB 0.286 29.991 29.700 0.007 0.000 0.816 71 E HN 0.417 nan 8.360 nan 0.000 0.475 72 K N 0.777 121.168 120.400 -0.015 0.000 2.339 72 K HA 0.186 4.506 4.320 -0.000 0.000 0.264 72 K C -0.718 175.953 176.600 0.118 0.000 0.986 72 K CA -0.434 55.910 56.287 0.095 0.000 0.866 72 K CB 0.945 33.512 32.500 0.111 0.000 1.103 72 K HN -0.083 nan 8.250 nan 0.000 0.441 73 W N 2.002 123.372 121.300 0.116 0.000 2.190 73 W HA 0.125 4.785 4.660 -0.000 0.000 0.330 73 W C 0.672 177.276 176.519 0.141 0.000 1.299 73 W CA 0.084 57.503 57.345 0.125 0.000 1.215 73 W CB 0.681 30.142 29.460 0.003 0.000 1.147 73 W HN 0.311 nan 8.180 nan 0.000 0.563 74 Q N 2.454 122.487 119.800 0.388 0.000 2.365 74 Q HA 0.610 4.950 4.340 -0.000 0.000 0.269 74 Q C -0.892 175.184 176.000 0.127 0.000 1.061 74 Q CA -0.969 54.920 55.803 0.144 0.000 0.816 74 Q CB 2.145 30.796 28.738 -0.144 0.000 1.325 74 Q HN 0.345 nan 8.270 nan 0.000 0.446 75 L N 1.399 122.691 121.223 0.116 0.000 2.330 75 L HA 0.537 4.877 4.340 -0.000 0.000 0.271 75 L C -0.495 176.362 176.870 -0.022 0.000 1.013 75 L CA -0.771 54.087 54.840 0.030 0.000 0.816 75 L CB 1.930 43.982 42.059 -0.011 0.000 1.287 75 L HN 0.484 nan 8.230 nan 0.000 0.435 76 Q N 1.585 121.331 119.800 -0.090 0.000 2.377 76 Q HA 0.429 4.769 4.340 -0.000 0.000 0.271 76 Q C -2.511 173.372 176.000 -0.194 0.000 1.077 76 Q CA -1.897 53.844 55.803 -0.104 0.000 0.820 76 Q CB 2.797 31.520 28.738 -0.026 0.000 1.347 76 Q HN 0.273 nan 8.270 nan 0.000 0.444 77 P HA 0.028 nan 4.420 nan 0.000 0.271 77 P C -1.019 176.238 177.300 -0.072 0.000 1.226 77 P CA -0.095 62.900 63.100 -0.175 0.000 0.765 77 P CB 0.463 32.101 31.700 -0.103 0.000 0.835 78 R N 6.550 127.021 120.500 -0.049 0.000 2.458 78 R HA 0.029 4.368 4.340 -0.000 0.000 0.303 78 R C -1.186 175.115 176.300 0.001 0.000 1.013 78 R CA -0.897 55.200 56.100 -0.005 0.000 1.026 78 R CB 0.181 30.492 30.300 0.019 0.000 0.948 78 R HN 0.398 nan 8.270 nan 0.000 0.417 79 P HA -0.090 nan 4.420 nan 0.000 0.227 79 P C 0.635 177.944 177.300 0.015 0.000 1.161 79 P CA 0.893 63.999 63.100 0.011 0.000 0.788 79 P CB 0.233 31.941 31.700 0.015 0.000 0.822 80 S N -0.081 115.632 115.700 0.020 0.000 2.507 80 S HA -0.032 4.437 4.470 -0.000 0.000 0.235 80 S C 1.508 176.124 174.600 0.026 0.000 0.988 80 S CA 0.985 59.200 58.200 0.024 0.000 0.944 80 S CB -1.344 61.873 63.200 0.028 0.000 0.762 80 S HN 0.156 nan 8.310 nan 0.000 0.526 81 V N -0.965 118.963 119.914 0.023 0.000 3.159 81 V HA 0.321 4.441 4.120 -0.000 0.000 0.333 81 V C 1.704 177.802 176.094 0.008 0.000 1.424 81 V CA 0.222 62.536 62.300 0.023 0.000 1.125 81 V CB -0.927 30.916 31.823 0.034 0.000 1.075 81 V HN 0.490 nan 8.190 nan 0.000 0.482 82 T N -2.115 112.442 114.554 0.004 0.000 2.803 82 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 82 T C 1.685 176.381 174.700 -0.006 0.000 1.052 82 T CA 1.931 64.030 62.100 -0.002 0.000 1.136 82 T CB -0.334 68.536 68.868 0.003 0.000 0.864 82 T HN 0.541 nan 8.240 nan 0.000 0.467 83 K N 0.683 121.082 120.400 -0.001 0.000 2.000 83 K HA -0.282 4.038 4.320 -0.000 0.000 0.218 83 K C 2.670 179.258 176.600 -0.020 0.000 1.053 83 K CA 2.172 58.456 56.287 -0.006 0.000 0.946 83 K CB -0.295 32.211 32.500 0.009 0.000 0.723 83 K HN 0.301 nan 8.250 nan 0.000 0.446 84 Q N 0.603 120.393 119.800 -0.017 0.000 2.135 84 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 84 Q C 1.865 177.832 176.000 -0.056 0.000 0.981 84 Q CA 1.227 57.001 55.803 -0.047 0.000 0.856 84 Q CB -0.270 28.448 28.738 -0.034 0.000 0.902 84 Q HN 0.296 nan 8.270 nan 0.000 0.425 85 L N 0.526 121.728 121.223 -0.036 0.000 2.042 85 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 85 L C 1.419 178.261 176.870 -0.046 0.000 1.076 85 L CA 1.912 56.732 54.840 -0.033 0.000 0.749 85 L CB -0.862 41.185 42.059 -0.019 0.000 0.893 85 L HN 0.266 nan 8.230 nan 0.000 0.432 86 N N -0.809 117.861 118.700 -0.051 0.000 2.244 86 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 86 N C 1.906 177.335 175.510 -0.135 0.000 1.016 86 N CA 1.455 54.456 53.050 -0.082 0.000 0.866 86 N CB -0.410 38.038 38.487 -0.065 0.000 0.980 86 N HN 0.271 nan 8.380 nan 0.000 0.430 87 V N 1.833 121.679 119.914 -0.114 0.000 2.295 87 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 87 V C 2.263 178.294 176.094 -0.104 0.000 1.049 87 V CA 1.250 63.468 62.300 -0.137 0.000 1.024 87 V CB -0.385 31.413 31.823 -0.041 0.000 0.648 87 V HN 0.231 nan 8.190 nan 0.000 0.447 88 I N -0.433 120.102 120.570 -0.058 0.000 2.252 88 I HA -0.242 3.927 4.170 -0.000 0.000 0.245 88 I C 2.607 178.667 176.117 -0.095 0.000 1.102 88 I CA 1.600 62.886 61.300 -0.024 0.000 1.385 88 I CB -0.502 37.471 38.000 -0.045 0.000 1.064 88 I HN 0.293 nan 8.210 nan 0.000 0.414 89 K N 1.779 122.089 120.400 -0.151 0.000 2.034 89 K HA -0.267 4.053 4.320 -0.000 0.000 0.214 89 K C 2.353 178.715 176.600 -0.397 0.000 1.051 89 K CA 2.368 58.498 56.287 -0.262 0.000 0.931 89 K CB -0.129 32.249 32.500 -0.204 0.000 0.715 89 K HN 0.367 nan 8.250 nan 0.000 0.446 90 R N -0.723 119.564 120.500 -0.355 0.000 2.081 90 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 90 R C 2.162 178.239 176.300 -0.372 0.000 1.131 90 R CA 1.810 57.668 56.100 -0.404 0.000 0.960 90 R CB -0.859 29.142 30.300 -0.497 0.000 0.856 90 R HN 0.083 nan 8.270 nan 0.000 0.436 91 F N 1.432 121.257 119.950 -0.209 0.000 2.186 91 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 91 F C 2.206 177.930 175.800 -0.126 0.000 1.090 91 F CA 0.636 58.529 58.000 -0.179 0.000 1.307 91 F CB -0.456 38.419 39.000 -0.208 0.000 1.019 91 F HN -0.075 nan 8.300 nan 0.000 0.489 92 L N -0.863 120.364 121.223 0.007 0.000 2.042 92 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 92 L C 2.595 179.517 176.870 0.087 0.000 1.076 92 L CA 1.323 56.161 54.840 -0.003 0.000 0.749 92 L CB -0.659 41.357 42.059 -0.072 0.000 0.893 92 L HN 0.201 nan 8.230 nan 0.000 0.432 93 H N -0.546 118.514 119.070 -0.018 0.000 2.462 93 H HA -0.072 4.484 4.556 -0.000 0.000 0.292 93 H C 2.118 177.436 175.328 -0.017 0.000 1.049 93 H CA 0.795 56.827 56.048 -0.026 0.000 1.334 93 H CB 0.007 29.741 29.762 -0.046 0.000 1.404 93 H HN 0.425 nan 8.280 nan 0.000 0.544 94 E N 0.533 120.796 120.200 0.106 0.000 2.112 94 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 94 E C 1.059 177.700 176.600 0.069 0.000 0.979 94 E CA 0.382 56.827 56.400 0.074 0.000 0.814 94 E CB 0.200 29.947 29.700 0.078 0.000 0.762 94 E HN 0.280 nan 8.360 nan 0.000 0.460 95 A N 1.177 124.041 122.820 0.073 0.000 2.425 95 A HA 0.104 4.424 4.320 -0.000 0.000 0.242 95 A C 1.161 178.760 177.584 0.024 0.000 1.077 95 A CA 0.421 52.482 52.037 0.041 0.000 0.781 95 A CB 0.509 19.523 19.000 0.023 0.000 1.020 95 A HN 0.205 nan 8.150 nan 0.000 0.494 96 S N 0.011 115.716 115.700 0.008 0.000 2.505 96 S HA 0.243 4.713 4.470 -0.000 0.000 0.216 96 S C 0.198 174.789 174.600 -0.015 0.000 1.018 96 S CA 0.181 58.381 58.200 0.001 0.000 0.911 96 S CB 0.013 63.215 63.200 0.003 0.000 0.818 96 S HN 0.720 nan 8.310 nan 0.000 0.497 97 E N 0.290 120.470 120.200 -0.034 0.000 2.293 97 E HA 0.677 5.027 4.350 -0.000 0.000 0.270 97 E C -1.638 174.899 176.600 -0.105 0.000 0.879 97 E CA -0.553 55.807 56.400 -0.066 0.000 0.756 97 E CB 2.347 31.999 29.700 -0.080 0.000 1.208 97 E HN 0.289 nan 8.360 nan 0.000 0.428 98 I N 1.991 122.489 120.570 -0.118 0.000 2.498 98 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 98 I C -1.047 174.951 176.117 -0.198 0.000 1.032 98 I CA -0.970 60.246 61.300 -0.140 0.000 1.073 98 I CB 1.907 39.865 38.000 -0.069 0.000 1.251 98 I HN 0.183 nan 8.210 nan 0.000 0.426 99 V N 4.861 124.590 119.914 -0.308 0.000 2.409 99 V HA 0.288 4.407 4.120 -0.000 0.000 0.291 99 V C -0.328 175.701 176.094 -0.109 0.000 1.020 99 V CA -0.675 61.435 62.300 -0.317 0.000 0.848 99 V CB 1.435 32.793 31.823 -0.775 0.000 0.990 99 V HN 0.626 nan 8.190 nan 0.000 0.430 100 H N 4.982 123.960 119.070 -0.152 0.000 2.705 100 H HA 0.592 5.148 4.556 -0.000 0.000 0.291 100 H C 0.021 175.292 175.328 -0.096 0.000 1.085 100 H CA -0.359 55.621 56.048 -0.113 0.000 1.357 100 H CB 1.492 31.167 29.762 -0.144 0.000 1.419 100 H HN 0.683 nan 8.280 nan 0.000 0.462 101 A N 4.892 127.811 122.820 0.165 0.000 2.855 101 A HA 0.401 4.721 4.320 -0.000 0.000 0.301 101 A C 0.992 178.631 177.584 0.091 0.000 1.076 101 A CA -0.062 52.069 52.037 0.157 0.000 1.004 101 A CB -0.266 18.844 19.000 0.183 0.000 1.152 101 A HN 0.767 nan 8.150 nan 0.000 0.531 102 G N -0.444 108.428 108.800 0.120 0.000 2.599 102 G HA2 0.410 4.370 3.960 -0.000 0.000 0.264 102 G HA3 0.410 4.370 3.960 -0.000 0.000 0.264 102 G C -0.547 174.362 174.900 0.015 0.000 1.200 102 G CA -0.398 44.727 45.100 0.042 0.000 0.896 102 G HN 0.331 nan 8.290 nan 0.000 0.536 103 D N 0.485 120.855 120.400 -0.050 0.000 2.563 103 D HA 0.037 4.677 4.640 -0.000 0.000 0.229 103 D C -1.632 174.554 176.300 -0.191 0.000 1.159 103 D CA -0.148 53.734 54.000 -0.197 0.000 0.869 103 D CB 0.894 41.610 40.800 -0.140 0.000 1.203 103 D HN 0.104 nan 8.370 nan 0.000 0.478 104 P HA 0.091 nan 4.420 nan 0.000 0.218 104 P C -0.989 176.347 177.300 0.061 0.000 1.793 104 P CA -0.167 62.857 63.100 -0.127 0.000 0.941 104 P CB 0.007 31.630 31.700 -0.128 0.000 1.919 105 D N -1.602 118.831 120.400 0.055 0.000 2.752 105 D HA 0.222 4.862 4.640 -0.000 0.000 0.313 105 D C 1.259 177.623 176.300 0.108 0.000 1.225 105 D CA -0.988 53.109 54.000 0.163 0.000 0.976 105 D CB 0.713 41.530 40.800 0.028 0.000 1.443 105 D HN -0.262 nan 8.370 nan 0.000 0.515 106 R N -0.474 120.091 120.500 0.109 0.000 2.097 106 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 106 R C 1.618 177.953 176.300 0.058 0.000 1.135 106 R CA 1.638 57.779 56.100 0.068 0.000 0.934 106 R CB -0.292 30.036 30.300 0.048 0.000 0.846 106 R HN 0.508 nan 8.270 nan 0.000 0.431 107 E N -0.233 120.003 120.200 0.060 0.000 2.085 107 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 107 E C 2.113 178.743 176.600 0.050 0.000 0.994 107 E CA 1.518 57.959 56.400 0.068 0.000 0.801 107 E CB -0.477 29.270 29.700 0.079 0.000 0.743 107 E HN 0.540 nan 8.360 nan 0.000 0.453 108 G N 0.901 109.727 108.800 0.043 0.000 2.422 108 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.218 108 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.218 108 G C 1.634 176.596 174.900 0.104 0.000 1.146 108 G CA 0.988 46.109 45.100 0.036 0.000 0.769 108 G HN 0.232 nan 8.290 nan 0.000 0.547 109 Q N -0.296 119.562 119.800 0.097 0.000 2.050 109 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 109 Q C 2.366 178.474 176.000 0.180 0.000 0.980 109 Q CA 1.144 57.028 55.803 0.134 0.000 0.840 109 Q CB -0.505 28.257 28.738 0.040 0.000 0.898 109 Q HN 0.375 nan 8.270 nan 0.000 0.424 110 L N -0.288 120.989 121.223 0.089 0.000 2.056 110 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 110 L C 2.100 178.996 176.870 0.043 0.000 1.078 110 L CA 1.502 56.382 54.840 0.067 0.000 0.749 110 L CB -0.915 41.182 42.059 0.064 0.000 0.901 110 L HN 0.443 nan 8.230 nan 0.000 0.433 111 L N -1.399 119.818 121.223 -0.010 0.000 2.089 111 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 111 L C 2.161 178.953 176.870 -0.129 0.000 1.079 111 L CA 2.027 56.786 54.840 -0.135 0.000 0.758 111 L CB -0.365 41.551 42.059 -0.237 0.000 0.891 111 L HN 0.160 nan 8.230 nan 0.000 0.433 112 V N -1.579 118.230 119.914 -0.175 0.000 2.575 112 V HA -0.091 4.029 4.120 -0.000 0.000 0.242 112 V C 2.065 178.080 176.094 -0.130 0.000 1.045 112 V CA 1.135 63.255 62.300 -0.300 0.000 1.065 112 V CB -0.451 30.866 31.823 -0.843 0.000 0.717 112 V HN 0.327 nan 8.190 nan 0.000 0.467 113 D N 0.428 120.839 120.400 0.018 0.000 2.133 113 D HA -0.215 4.425 4.640 -0.000 0.000 0.195 113 D C 2.092 178.417 176.300 0.042 0.000 0.997 113 D CA 1.555 55.601 54.000 0.076 0.000 0.840 113 D CB -0.063 40.798 40.800 0.102 0.000 0.947 113 D HN 0.517 nan 8.370 nan 0.000 0.452 114 E N 0.029 120.248 120.200 0.033 0.000 2.065 114 E HA -0.181 4.169 4.350 -0.000 0.000 0.201 114 E C 2.160 178.797 176.600 0.060 0.000 1.016 114 E CA 1.074 57.499 56.400 0.042 0.000 0.818 114 E CB 0.081 29.803 29.700 0.037 0.000 0.749 114 E HN 0.030 nan 8.360 nan 0.000 0.453 115 V N 1.037 120.965 119.914 0.024 0.000 2.343 115 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 115 V C 2.316 178.451 176.094 0.068 0.000 1.051 115 V CA 1.568 63.890 62.300 0.037 0.000 1.036 115 V CB -0.396 31.414 31.823 -0.022 0.000 0.654 115 V HN 0.333 nan 8.190 nan 0.000 0.451 116 L N -0.388 120.856 121.223 0.035 0.000 2.141 116 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 116 L C 2.387 179.293 176.870 0.061 0.000 1.094 116 L CA 1.610 56.473 54.840 0.039 0.000 0.763 116 L CB -0.685 41.391 42.059 0.028 0.000 0.908 116 L HN 0.381 nan 8.230 nan 0.000 0.437 117 D N -0.292 120.154 120.400 0.076 0.000 2.103 117 D HA -0.226 4.414 4.640 -0.000 0.000 0.199 117 D C 2.068 178.424 176.300 0.093 0.000 0.978 117 D CA 1.103 55.148 54.000 0.075 0.000 0.829 117 D CB 0.048 40.890 40.800 0.071 0.000 0.981 117 D HN 0.286 nan 8.370 nan 0.000 0.464 118 Y N 1.185 121.489 120.300 0.008 0.000 2.224 118 Y HA -0.101 4.449 4.550 -0.000 0.000 0.289 118 Y C 2.095 178.001 175.900 0.009 0.000 1.146 118 Y CA 1.354 59.459 58.100 0.009 0.000 1.182 118 Y CB -0.123 38.341 38.460 0.007 0.000 0.983 118 Y HN -0.049 nan 8.280 nan 0.000 0.524 119 L N 1.206 122.477 121.223 0.079 0.000 2.599 119 L HA -0.069 4.271 4.340 -0.000 0.000 0.230 119 L C 0.174 177.043 176.870 -0.002 0.000 1.141 119 L CA 0.501 55.344 54.840 0.006 0.000 0.877 119 L CB -0.758 41.328 42.059 0.045 0.000 1.009 119 L HN 0.346 nan 8.230 nan 0.000 0.447 120 Q N 0.151 119.945 119.800 -0.010 0.000 2.409 120 Q HA -0.207 4.133 4.340 -0.000 0.000 0.363 120 Q C -0.469 175.556 176.000 0.040 0.000 1.356 120 Q CA 0.175 55.978 55.803 0.001 0.000 1.044 120 Q CB -1.915 26.801 28.738 -0.037 0.000 1.173 120 Q HN 0.409 nan 8.270 nan 0.000 0.309 121 L N 1.265 122.517 121.223 0.049 0.000 2.485 121 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 121 L C 1.074 177.964 176.870 0.035 0.000 1.207 121 L CA 0.518 55.393 54.840 0.060 0.000 0.855 121 L CB 0.451 42.539 42.059 0.048 0.000 1.114 121 L HN 0.743 nan 8.230 nan 0.000 0.485 122 A N 6.696 129.530 122.820 0.024 0.000 2.580 122 A HA 0.063 4.383 4.320 -0.000 0.000 0.244 122 A C -1.254 176.338 177.584 0.015 0.000 1.045 122 A CA -0.742 51.297 52.037 0.002 0.000 0.761 122 A CB -0.296 18.696 19.000 -0.012 0.000 0.962 122 A HN 0.675 nan 8.150 nan 0.000 0.512 123 P HA -0.161 nan 4.420 nan 0.000 0.220 123 P C 1.049 178.367 177.300 0.029 0.000 1.148 123 P CA 1.257 64.375 63.100 0.029 0.000 0.803 123 P CB 0.318 32.035 31.700 0.028 0.000 0.782 124 E N 1.092 121.302 120.200 0.018 0.000 2.058 124 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 124 E C 2.014 178.621 176.600 0.013 0.000 0.997 124 E CA 1.697 58.105 56.400 0.015 0.000 0.801 124 E CB -0.440 29.264 29.700 0.007 0.000 0.746 124 E HN 0.184 nan 8.360 nan 0.000 0.450 125 K N -0.555 119.853 120.400 0.013 0.000 2.031 125 K HA -0.084 4.235 4.320 -0.000 0.000 0.205 125 K C 2.314 178.920 176.600 0.011 0.000 1.049 125 K CA 1.091 57.385 56.287 0.011 0.000 0.939 125 K CB -0.159 32.352 32.500 0.017 0.000 0.717 125 K HN -0.074 nan 8.250 nan 0.000 0.438 126 R N 1.850 122.363 120.500 0.022 0.000 2.139 126 R HA -0.162 4.177 4.340 -0.000 0.000 0.243 126 R C 1.881 178.189 176.300 0.012 0.000 1.145 126 R CA 1.673 57.788 56.100 0.026 0.000 0.976 126 R CB -0.141 30.186 30.300 0.046 0.000 0.866 126 R HN 0.274 nan 8.270 nan 0.000 0.449 127 Q N -0.972 118.836 119.800 0.013 0.000 2.331 127 Q HA -0.036 4.304 4.340 -0.000 0.000 0.203 127 Q C 1.466 177.460 176.000 -0.010 0.000 0.944 127 Q CA 0.776 56.578 55.803 -0.002 0.000 0.892 127 Q CB 0.354 29.102 28.738 0.017 0.000 0.983 127 Q HN 0.447 nan 8.270 nan 0.000 0.482 128 Q N 0.039 119.835 119.800 -0.007 0.000 2.424 128 Q HA 0.058 4.398 4.340 -0.000 0.000 0.204 128 Q C 0.513 176.498 176.000 -0.024 0.000 0.933 128 Q CA 0.178 55.973 55.803 -0.013 0.000 0.929 128 Q CB 0.194 28.924 28.738 -0.013 0.000 1.037 128 Q HN 0.144 nan 8.270 nan 0.000 0.511 129 V N 3.377 123.277 119.914 -0.023 0.000 2.644 129 V HA -0.130 3.990 4.120 -0.000 0.000 0.305 129 V C 0.699 176.769 176.094 -0.041 0.000 1.053 129 V CA 0.811 63.092 62.300 -0.032 0.000 1.186 129 V CB 0.180 31.996 31.823 -0.012 0.000 0.895 129 V HN 0.219 nan 8.190 nan 0.000 0.490 130 Q N 3.354 123.114 119.800 -0.066 0.000 2.241 130 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 130 Q C -0.416 175.520 176.000 -0.106 0.000 1.014 130 Q CA -1.066 54.694 55.803 -0.072 0.000 0.885 130 Q CB 2.261 30.953 28.738 -0.077 0.000 1.311 130 Q HN 0.609 nan 8.270 nan 0.000 0.461 131 R N 0.109 120.523 120.500 -0.144 0.000 2.437 131 R HA 0.403 4.743 4.340 -0.000 0.000 0.310 131 R C -1.584 174.614 176.300 -0.170 0.000 0.955 131 R CA -0.291 55.635 56.100 -0.290 0.000 0.851 131 R CB 0.984 30.855 30.300 -0.715 0.000 1.161 131 R HN 0.719 nan 8.270 nan 0.000 0.446 132 C N 6.764 126.006 119.300 -0.098 0.000 2.322 132 C HA 0.596 5.056 4.460 -0.000 0.000 0.324 132 C C -0.918 174.052 174.990 -0.033 0.000 1.284 132 C CA -0.812 58.205 59.018 -0.001 0.000 1.606 132 C CB -0.346 27.468 27.740 0.123 0.000 2.251 132 C HN 0.815 nan 8.230 nan 0.000 0.502 133 L N 7.626 128.840 121.223 -0.015 0.000 2.276 133 L HA 0.548 4.888 4.340 -0.000 0.000 0.286 133 L C -0.375 176.511 176.870 0.027 0.000 1.024 133 L CA -0.166 54.664 54.840 -0.017 0.000 0.826 133 L CB 0.919 42.985 42.059 0.012 0.000 1.211 133 L HN 0.572 nan 8.230 nan 0.000 0.422 134 I N 3.598 124.169 120.570 0.001 0.000 2.362 134 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 134 I C 0.571 176.714 176.117 0.044 0.000 0.994 134 I CA -0.083 61.243 61.300 0.043 0.000 1.158 134 I CB 1.396 39.420 38.000 0.040 0.000 1.315 134 I HN 0.596 nan 8.210 nan 0.000 0.451 135 N N 3.282 122.066 118.700 0.139 0.000 2.181 135 N HA 0.083 4.823 4.740 -0.000 0.000 0.207 135 N C -0.610 175.121 175.510 0.369 0.000 1.182 135 N CA 0.234 53.389 53.050 0.176 0.000 0.893 135 N CB 0.965 39.533 38.487 0.134 0.000 1.032 135 N HN 0.573 nan 8.380 nan 0.000 0.513 136 D N 0.363 120.965 120.400 0.338 0.000 2.936 136 D HA 0.207 4.846 4.640 -0.000 0.000 0.238 136 D C 0.265 176.642 176.300 0.128 0.000 1.248 136 D CA -0.424 53.760 54.000 0.306 0.000 0.903 136 D CB 1.613 42.567 40.800 0.258 0.000 1.544 136 D HN -0.164 nan 8.370 nan 0.000 0.543 137 L N 2.219 123.436 121.223 -0.010 0.000 2.591 137 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 137 L C 0.832 177.660 176.870 -0.070 0.000 1.133 137 L CA -0.055 54.710 54.840 -0.125 0.000 0.880 137 L CB -0.232 41.626 42.059 -0.334 0.000 1.033 137 L HN 0.236 nan 8.230 nan 0.000 0.450 138 N N 0.963 119.654 118.700 -0.015 0.000 2.508 138 N HA 0.064 4.804 4.740 -0.000 0.000 0.264 138 N C -1.584 173.923 175.510 -0.005 0.000 1.216 138 N CA -1.012 52.035 53.050 -0.006 0.000 0.943 138 N CB 1.207 39.707 38.487 0.021 0.000 1.113 138 N HN -0.183 nan 8.380 nan 0.000 0.447 139 P HA -0.198 nan 4.420 nan 0.000 0.216 139 P C 1.107 178.409 177.300 0.003 0.000 1.157 139 P CA 1.743 64.838 63.100 -0.009 0.000 0.880 139 P CB 0.305 32.002 31.700 -0.006 0.000 0.791 140 Q N -1.138 118.669 119.800 0.010 0.000 2.084 140 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 140 Q C 2.259 178.273 176.000 0.024 0.000 0.978 140 Q CA 1.679 57.492 55.803 0.015 0.000 0.844 140 Q CB -0.653 28.093 28.738 0.014 0.000 0.898 140 Q HN 0.184 nan 8.270 nan 0.000 0.426 141 A N 0.159 122.998 122.820 0.032 0.000 1.930 141 A HA -0.108 4.211 4.320 -0.000 0.000 0.217 141 A C 2.297 179.914 177.584 0.055 0.000 1.175 141 A CA 1.092 53.161 52.037 0.054 0.000 0.627 141 A CB -0.553 18.496 19.000 0.081 0.000 0.815 141 A HN 0.206 nan 8.150 nan 0.000 0.443 142 V N 0.235 120.168 119.914 0.032 0.000 2.343 142 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 142 V C 2.367 178.471 176.094 0.017 0.000 1.051 142 V CA 2.248 64.558 62.300 0.016 0.000 1.036 142 V CB -0.855 30.955 31.823 -0.022 0.000 0.654 142 V HN 0.632 nan 8.190 nan 0.000 0.451 143 E N -0.240 119.969 120.200 0.015 0.000 2.118 143 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 143 E C 2.434 179.058 176.600 0.039 0.000 0.992 143 E CA 1.258 57.671 56.400 0.021 0.000 0.804 143 E CB -0.189 29.521 29.700 0.018 0.000 0.741 143 E HN 0.452 nan 8.360 nan 0.000 0.458 144 R N 0.534 121.061 120.500 0.045 0.000 2.073 144 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 144 R C 2.291 178.632 176.300 0.070 0.000 1.134 144 R CA 1.262 57.396 56.100 0.057 0.000 0.952 144 R CB -0.181 30.155 30.300 0.061 0.000 0.850 144 R HN 0.136 nan 8.270 nan 0.000 0.433 145 A N 1.105 123.970 122.820 0.074 0.000 1.883 145 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 145 A C 2.091 179.730 177.584 0.092 0.000 1.186 145 A CA 1.408 53.495 52.037 0.083 0.000 0.624 145 A CB -0.508 18.539 19.000 0.079 0.000 0.822 145 A HN 0.367 nan 8.150 nan 0.000 0.444 146 I N -0.441 120.187 120.570 0.097 0.000 3.001 146 I HA -0.151 4.019 4.170 -0.000 0.000 0.268 146 I C 1.019 177.202 176.117 0.109 0.000 1.267 146 I CA 1.088 62.472 61.300 0.139 0.000 1.472 146 I CB -0.343 37.738 38.000 0.134 0.000 1.089 146 I HN 0.217 nan 8.210 nan 0.000 0.468 147 D N 0.497 120.945 120.400 0.081 0.000 2.366 147 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 147 D C 1.436 177.774 176.300 0.063 0.000 1.022 147 D CA 0.546 54.586 54.000 0.067 0.000 0.868 147 D CB 0.227 41.061 40.800 0.056 0.000 0.953 147 D HN 0.137 nan 8.370 nan 0.000 0.514 148 R N 0.281 120.822 120.500 0.069 0.000 2.633 148 R HA 0.280 4.620 4.340 -0.000 0.000 0.348 148 R C -0.075 176.266 176.300 0.069 0.000 1.100 148 R CA -0.313 55.828 56.100 0.068 0.000 1.068 148 R CB 0.450 30.797 30.300 0.077 0.000 1.351 148 R HN 0.061 nan 8.270 nan 0.000 0.575 149 L N 2.000 123.260 121.223 0.061 0.000 2.628 149 L HA -0.104 4.236 4.340 -0.000 0.000 0.292 149 L C 0.749 177.649 176.870 0.050 0.000 1.250 149 L CA 1.061 55.927 54.840 0.043 0.000 0.892 149 L CB -0.035 42.039 42.059 0.025 0.000 1.138 149 L HN 0.123 nan 8.230 nan 0.000 0.502 150 R N 1.564 122.102 120.500 0.063 0.000 2.873 150 R HA 0.354 4.694 4.340 -0.000 0.000 0.264 150 R C -0.459 175.896 176.300 0.091 0.000 1.026 150 R CA -0.881 55.284 56.100 0.108 0.000 1.002 150 R CB 1.910 32.346 30.300 0.226 0.000 1.174 150 R HN 0.546 nan 8.270 nan 0.000 0.488 151 S N 0.750 116.506 115.700 0.094 0.000 2.533 151 S HA -0.048 4.422 4.470 -0.000 0.000 0.282 151 S C 1.057 175.736 174.600 0.133 0.000 1.304 151 S CA -0.178 58.062 58.200 0.066 0.000 1.063 151 S CB 0.264 63.484 63.200 0.034 0.000 0.881 151 S HN 0.538 nan 8.310 nan 0.000 0.493 152 N N 3.115 121.849 118.700 0.057 0.000 2.381 152 N HA -0.104 4.635 4.740 -0.000 0.000 0.182 152 N C 1.808 177.380 175.510 0.104 0.000 1.025 152 N CA 1.443 54.530 53.050 0.061 0.000 0.888 152 N CB -0.209 38.247 38.487 -0.052 0.000 0.965 152 N HN 0.641 nan 8.380 nan 0.000 0.438 153 S N -0.370 115.335 115.700 0.009 0.000 2.419 153 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 153 S C 1.585 176.132 174.600 -0.089 0.000 1.019 153 S CA 0.944 59.091 58.200 -0.088 0.000 0.982 153 S CB -0.425 62.697 63.200 -0.130 0.000 0.789 153 S HN 0.410 nan 8.310 nan 0.000 0.490 154 E N -0.015 120.163 120.200 -0.037 0.000 2.418 154 E HA 0.051 4.401 4.350 -0.000 0.000 0.197 154 E C 0.424 176.776 176.600 -0.414 0.000 1.026 154 E CA 0.665 56.921 56.400 -0.240 0.000 0.862 154 E CB -0.125 29.381 29.700 -0.324 0.000 0.799 154 E HN 0.695 nan 8.360 nan 0.000 0.518 155 F N -1.314 118.549 119.950 -0.145 0.000 2.678 155 F HA 0.070 4.597 4.527 -0.000 0.000 0.305 155 F C 1.676 177.385 175.800 -0.151 0.000 1.090 155 F CA -0.189 57.722 58.000 -0.148 0.000 1.272 155 F CB 0.280 39.172 39.000 -0.178 0.000 1.060 155 F HN -0.145 nan 8.300 nan 0.000 0.576 156 V N 1.901 121.794 119.914 -0.035 0.000 2.278 156 V HA -0.275 3.845 4.120 -0.000 0.000 0.251 156 V C -0.221 175.776 176.094 -0.162 0.000 1.062 156 V CA 2.330 64.579 62.300 -0.084 0.000 1.038 156 V CB -1.351 30.412 31.823 -0.100 0.000 0.646 156 V HN 0.176 nan 8.190 nan 0.000 0.447 157 P HA -0.167 nan 4.420 nan 0.000 0.215 157 P C 1.893 179.063 177.300 -0.217 0.000 1.157 157 P CA 1.310 64.203 63.100 -0.344 0.000 0.874 157 P CB -0.086 31.463 31.700 -0.250 0.000 0.790 158 L N -0.849 120.304 121.223 -0.116 0.000 2.083 158 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 158 L C 2.601 179.445 176.870 -0.044 0.000 1.083 158 L CA 1.715 56.528 54.840 -0.046 0.000 0.752 158 L CB -1.363 40.726 42.059 0.049 0.000 0.899 158 L HN 0.088 nan 8.230 nan 0.000 0.433 159 C N -1.892 117.382 119.300 -0.043 0.000 2.453 159 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 159 C C 2.707 177.648 174.990 -0.081 0.000 1.262 159 C CA 1.002 59.998 59.018 -0.037 0.000 1.718 159 C CB -0.740 26.986 27.740 -0.023 0.000 2.031 159 C HN 0.410 nan 8.230 nan 0.000 0.480 160 V N 0.746 120.579 119.914 -0.134 0.000 2.343 160 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 160 V C 2.818 178.839 176.094 -0.122 0.000 1.051 160 V CA 2.416 64.621 62.300 -0.158 0.000 1.036 160 V CB -1.138 30.556 31.823 -0.216 0.000 0.654 160 V HN 0.736 nan 8.190 nan 0.000 0.451 161 S N 0.124 115.738 115.700 -0.142 0.000 2.365 161 S HA -0.251 4.219 4.470 -0.000 0.000 0.225 161 S C 2.102 176.634 174.600 -0.114 0.000 1.039 161 S CA 1.901 60.015 58.200 -0.143 0.000 1.033 161 S CB -0.366 62.756 63.200 -0.129 0.000 0.887 161 S HN 0.636 nan 8.310 nan 0.000 0.447 162 A N 0.764 123.541 122.820 -0.072 0.000 1.969 162 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 162 A C 2.128 179.680 177.584 -0.054 0.000 1.169 162 A CA 1.439 53.451 52.037 -0.042 0.000 0.635 162 A CB -0.708 18.290 19.000 -0.005 0.000 0.810 162 A HN 0.554 nan 8.150 nan 0.000 0.445 163 L N -0.268 120.909 121.223 -0.077 0.000 2.027 163 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 163 L C 2.741 179.555 176.870 -0.093 0.000 1.074 163 L CA 2.023 56.795 54.840 -0.113 0.000 0.745 163 L CB -0.894 41.067 42.059 -0.164 0.000 0.898 163 L HN 0.338 nan 8.230 nan 0.000 0.433 164 A N -0.171 122.646 122.820 -0.006 0.000 1.903 164 A HA -0.325 3.994 4.320 -0.000 0.000 0.219 164 A C 2.556 180.166 177.584 0.043 0.000 1.191 164 A CA 2.247 54.350 52.037 0.110 0.000 0.638 164 A CB -0.807 18.186 19.000 -0.011 0.000 0.823 164 A HN 0.535 nan 8.150 nan 0.000 0.451 165 R N -0.444 120.022 120.500 -0.057 0.000 2.091 165 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 165 R C 2.264 178.567 176.300 0.006 0.000 1.136 165 R CA 1.641 57.727 56.100 -0.024 0.000 0.959 165 R CB -0.431 29.846 30.300 -0.037 0.000 0.856 165 R HN 0.452 nan 8.270 nan 0.000 0.437 166 A N 0.998 123.801 122.820 -0.029 0.000 1.897 166 A HA -0.093 4.226 4.320 -0.000 0.000 0.215 166 A C 2.197 179.759 177.584 -0.037 0.000 1.181 166 A CA 1.147 53.168 52.037 -0.026 0.000 0.620 166 A CB -0.340 18.621 19.000 -0.065 0.000 0.821 166 A HN 0.358 nan 8.150 nan 0.000 0.443 167 R N -0.398 119.979 120.500 -0.206 0.000 2.075 167 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 167 R C 2.442 178.761 176.300 0.033 0.000 1.126 167 R CA 1.173 57.040 56.100 -0.388 0.000 0.963 167 R CB -0.442 29.328 30.300 -0.884 0.000 0.858 167 R HN 0.494 nan 8.270 nan 0.000 0.435 168 A N 1.365 124.208 122.820 0.039 0.000 1.933 168 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 168 A C 1.470 179.095 177.584 0.069 0.000 1.175 168 A CA 1.668 53.713 52.037 0.014 0.000 0.628 168 A CB -0.275 18.704 19.000 -0.034 0.000 0.814 168 A HN 0.149 nan 8.150 nan 0.000 0.444 169 D N -1.834 118.632 120.400 0.110 0.000 2.183 169 D HA -0.123 4.517 4.640 -0.000 0.000 0.203 169 D C 1.544 177.980 176.300 0.227 0.000 0.969 169 D CA 0.864 54.950 54.000 0.144 0.000 0.842 169 D CB -0.289 40.581 40.800 0.117 0.000 0.957 169 D HN 0.760 nan 8.370 nan 0.000 0.484 170 W N 1.231 122.582 121.300 0.085 0.000 2.413 170 W HA -0.016 4.644 4.660 -0.000 0.000 0.315 170 W C 2.113 178.706 176.519 0.122 0.000 1.186 170 W CA 0.749 58.168 57.345 0.124 0.000 1.326 170 W CB -0.436 29.144 29.460 0.199 0.000 1.153 170 W HN -0.151 nan 8.180 nan 0.000 0.489 171 L N -0.343 121.245 121.223 0.608 0.000 2.013 171 L HA -0.301 4.039 4.340 -0.000 0.000 0.212 171 L C 2.457 179.363 176.870 0.060 0.000 1.073 171 L CA 2.014 57.058 54.840 0.340 0.000 0.753 171 L CB -1.092 41.169 42.059 0.338 0.000 0.890 171 L HN 0.156 nan 8.230 nan 0.000 0.432 172 Y N -0.037 120.249 120.300 -0.024 0.000 2.184 172 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 172 Y C 2.290 178.146 175.900 -0.074 0.000 1.129 172 Y CA 1.588 59.656 58.100 -0.053 0.000 1.144 172 Y CB -0.389 38.050 38.460 -0.034 0.000 0.995 172 Y HN 0.057 nan 8.280 nan 0.000 0.513 173 G N 0.482 109.339 108.800 0.096 0.000 2.394 173 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 173 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 173 G C 1.529 176.307 174.900 -0.203 0.000 1.165 173 G CA 0.977 46.075 45.100 -0.002 0.000 0.784 173 G HN 0.334 nan 8.290 nan 0.000 0.535 174 I N 1.806 122.147 120.570 -0.381 0.000 2.179 174 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 174 I C 2.363 178.161 176.117 -0.531 0.000 1.088 174 I CA 1.042 61.998 61.300 -0.574 0.000 1.357 174 I CB -1.041 36.346 38.000 -1.023 0.000 1.051 174 I HN 0.153 nan 8.210 nan 0.000 0.409 175 N N 0.331 118.748 118.700 -0.471 0.000 2.142 175 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 175 N C 1.859 177.162 175.510 -0.346 0.000 1.023 175 N CA 1.185 53.981 53.050 -0.424 0.000 0.852 175 N CB -0.065 38.194 38.487 -0.380 0.000 0.998 175 N HN 0.301 nan 8.380 nan 0.000 0.424 176 M N 0.483 119.887 119.600 -0.326 0.000 2.200 176 M HA -0.029 4.450 4.480 -0.000 0.000 0.265 176 M C 1.875 178.142 176.300 -0.056 0.000 1.066 176 M CA 0.999 56.183 55.300 -0.193 0.000 1.127 176 M CB -1.048 31.336 32.600 -0.361 0.000 1.379 176 M HN 0.044 nan 8.290 nan 0.000 0.420 177 T N 0.466 114.940 114.554 -0.133 0.000 2.708 177 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 177 T C 1.974 176.597 174.700 -0.128 0.000 1.037 177 T CA 1.228 63.290 62.100 -0.063 0.000 1.146 177 T CB -0.214 68.613 68.868 -0.068 0.000 0.865 177 T HN 0.359 nan 8.240 nan 0.000 0.435 178 R N 0.834 121.080 120.500 -0.423 0.000 2.080 178 R HA -0.065 4.275 4.340 -0.000 0.000 0.236 178 R C 2.841 179.013 176.300 -0.215 0.000 1.137 178 R CA 1.432 57.184 56.100 -0.580 0.000 0.943 178 R CB -0.620 29.168 30.300 -0.853 0.000 0.846 178 R HN 0.382 nan 8.270 nan 0.000 0.431 179 A N 0.548 123.243 122.820 -0.208 0.000 1.859 179 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 179 A C 1.959 179.394 177.584 -0.248 0.000 1.198 179 A CA 1.496 53.401 52.037 -0.221 0.000 0.629 179 A CB -0.988 17.856 19.000 -0.261 0.000 0.830 179 A HN 0.377 nan 8.150 nan 0.000 0.446 180 Y N 0.496 120.738 120.300 -0.097 0.000 2.421 180 Y HA -0.103 4.447 4.550 -0.000 0.000 0.292 180 Y C 2.887 178.708 175.900 -0.132 0.000 1.136 180 Y CA 1.561 59.591 58.100 -0.117 0.000 1.255 180 Y CB -0.578 37.835 38.460 -0.079 0.000 0.991 180 Y HN 0.298 nan 8.280 nan 0.000 0.552 181 T N 0.179 114.793 114.554 0.100 0.000 2.770 181 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 181 T C 2.003 176.750 174.700 0.079 0.000 1.039 181 T CA 1.434 63.624 62.100 0.150 0.000 1.142 181 T CB -0.405 68.679 68.868 0.361 0.000 0.868 181 T HN 0.197 nan 8.240 nan 0.000 0.435 182 I N 0.954 121.574 120.570 0.084 0.000 2.118 182 I HA -0.195 3.975 4.170 -0.000 0.000 0.241 182 I C 2.279 178.374 176.117 -0.036 0.000 1.070 182 I CA 1.357 62.683 61.300 0.044 0.000 1.327 182 I CB -0.411 37.613 38.000 0.040 0.000 1.034 182 I HN 0.195 nan 8.210 nan 0.000 0.405 183 L N 0.134 121.285 121.223 -0.121 0.000 2.012 183 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 183 L C 2.665 179.422 176.870 -0.189 0.000 1.073 183 L CA 1.704 56.465 54.840 -0.131 0.000 0.748 183 L CB -1.314 40.640 42.059 -0.176 0.000 0.891 183 L HN 0.367 nan 8.230 nan 0.000 0.431 184 G N -0.467 108.091 108.800 -0.403 0.000 2.422 184 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 184 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 184 G C 1.727 176.638 174.900 0.019 0.000 1.146 184 G CA 0.213 45.119 45.100 -0.324 0.000 0.769 184 G HN 0.204 nan 8.290 nan 0.000 0.547 185 R N 0.362 120.867 120.500 0.009 0.000 2.115 185 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 185 R C 2.064 178.387 176.300 0.038 0.000 1.111 185 R CA 0.865 56.977 56.100 0.020 0.000 0.976 185 R CB -0.426 29.869 30.300 -0.009 0.000 0.870 185 R HN 0.266 nan 8.270 nan 0.000 0.445 186 N N 0.911 119.635 118.700 0.039 0.000 2.309 186 N HA -0.070 4.670 4.740 -0.000 0.000 0.182 186 N C 1.181 176.742 175.510 0.086 0.000 1.018 186 N CA 1.086 54.168 53.050 0.053 0.000 0.876 186 N CB 0.024 38.541 38.487 0.050 0.000 0.972 186 N HN 0.180 nan 8.380 nan 0.000 0.434 187 A N -0.513 122.385 122.820 0.129 0.000 2.307 187 A HA 0.481 4.800 4.320 -0.000 0.000 0.218 187 A C 1.258 178.934 177.584 0.153 0.000 1.228 187 A CA 0.480 52.617 52.037 0.166 0.000 0.857 187 A CB -0.294 18.872 19.000 0.278 0.000 0.897 187 A HN 0.250 nan 8.150 nan 0.000 0.495 188 G N -1.813 107.061 108.800 0.124 0.000 2.132 188 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.228 188 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.228 188 G C -0.128 174.866 174.900 0.156 0.000 1.000 188 G CA 0.275 45.441 45.100 0.109 0.000 0.693 188 G HN 0.864 nan 8.290 nan 0.000 0.515 189 Y N 0.744 121.067 120.300 0.038 0.000 2.320 189 Y HA 0.597 5.147 4.550 -0.000 0.000 0.334 189 Y C 1.188 177.095 175.900 0.012 0.000 1.055 189 Y CA -0.281 57.841 58.100 0.037 0.000 1.143 189 Y CB 1.444 39.937 38.460 0.054 0.000 1.193 189 Y HN 0.159 nan 8.280 nan 0.000 0.477 190 Q N 3.546 122.971 119.800 -0.624 0.000 2.250 190 Q HA 0.165 4.505 4.340 -0.000 0.000 0.200 190 Q C 1.002 176.604 176.000 -0.664 0.000 0.941 190 Q CA 0.534 56.043 55.803 -0.490 0.000 0.872 190 Q CB 0.113 28.682 28.738 -0.282 0.000 0.965 190 Q HN 1.027 nan 8.270 nan 0.000 0.480 191 G N 0.013 108.039 108.800 -1.290 0.000 2.583 191 G HA2 0.247 4.207 3.960 -0.000 0.000 0.275 191 G HA3 0.247 4.207 3.960 -0.000 0.000 0.275 191 G C -0.679 174.042 174.900 -0.297 0.000 1.342 191 G CA -0.500 44.176 45.100 -0.706 0.000 1.030 191 G HN 0.112 nan 8.290 nan 0.000 0.520 192 V N 0.188 120.099 119.914 -0.004 0.000 2.435 192 V HA 0.315 4.434 4.120 -0.000 0.000 0.290 192 V C 0.115 176.395 176.094 0.310 0.000 1.030 192 V CA -0.424 61.952 62.300 0.127 0.000 0.881 192 V CB 1.497 33.373 31.823 0.089 0.000 0.983 192 V HN 0.463 nan 8.190 nan 0.000 0.445 193 L N 5.173 126.603 121.223 0.346 0.000 2.353 193 L HA 0.353 4.693 4.340 -0.000 0.000 0.269 193 L C 0.694 177.752 176.870 0.312 0.000 1.085 193 L CA -0.135 54.954 54.840 0.415 0.000 0.938 193 L CB 0.813 43.031 42.059 0.264 0.000 1.312 193 L HN 0.795 nan 8.230 nan 0.000 0.429 194 S N 1.813 117.708 115.700 0.325 0.000 2.585 194 S HA 0.650 5.120 4.470 -0.000 0.000 0.273 194 S C -0.135 174.587 174.600 0.203 0.000 1.339 194 S CA -0.673 57.657 58.200 0.216 0.000 1.028 194 S CB 2.073 65.375 63.200 0.170 0.000 0.906 194 S HN 0.207 nan 8.310 nan 0.000 0.528 195 V N 1.205 121.183 119.914 0.106 0.000 2.888 195 V HA 0.881 5.001 4.120 -0.000 0.000 0.309 195 V C 0.369 176.537 176.094 0.124 0.000 1.114 195 V CA -0.166 62.175 62.300 0.068 0.000 0.940 195 V CB 1.976 33.758 31.823 -0.069 0.000 1.021 195 V HN 1.335 nan 8.190 nan 0.000 0.426 196 G N 2.497 111.430 108.800 0.221 0.000 2.698 196 G HA2 0.503 4.463 3.960 -0.000 0.000 0.293 196 G HA3 0.503 4.463 3.960 -0.000 0.000 0.293 196 G C 0.030 175.106 174.900 0.294 0.000 1.437 196 G CA -0.358 44.929 45.100 0.312 0.000 0.852 196 G HN 0.820 nan 8.290 nan 0.000 0.499 197 R N -0.251 120.353 120.500 0.173 0.000 2.235 197 R HA 0.079 4.419 4.340 -0.000 0.000 0.213 197 R C 1.058 177.382 176.300 0.039 0.000 1.059 197 R CA 1.370 57.433 56.100 -0.063 0.000 0.997 197 R CB -0.183 29.969 30.300 -0.247 0.000 0.884 197 R HN 0.272 nan 8.270 nan 0.000 0.462 198 V N 1.496 121.450 119.914 0.068 0.000 2.581 198 V HA -0.129 3.990 4.120 -0.000 0.000 0.240 198 V C 2.558 178.680 176.094 0.047 0.000 1.054 198 V CA 1.420 63.751 62.300 0.052 0.000 1.076 198 V CB -0.182 31.672 31.823 0.051 0.000 0.748 198 V HN 0.461 nan 8.190 nan 0.000 0.474 199 Q N 0.303 120.147 119.800 0.074 0.000 2.172 199 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 199 Q C 1.873 177.916 176.000 0.072 0.000 0.964 199 Q CA 2.114 57.963 55.803 0.075 0.000 0.855 199 Q CB -0.596 28.205 28.738 0.105 0.000 0.918 199 Q HN 0.520 nan 8.270 nan 0.000 0.444 200 T N 1.676 116.278 114.554 0.081 0.000 2.894 200 T HA 0.028 4.378 4.350 -0.000 0.000 0.258 200 T C -0.968 173.752 174.700 0.034 0.000 1.043 200 T CA 0.867 63.004 62.100 0.061 0.000 1.141 200 T CB -0.843 68.067 68.868 0.070 0.000 0.873 200 T HN 0.290 nan 8.240 nan 0.000 0.449 201 P HA 0.016 nan 4.420 nan 0.000 0.220 201 P C 1.519 178.788 177.300 -0.051 0.000 1.148 201 P CA 0.452 63.547 63.100 -0.008 0.000 0.803 201 P CB -0.160 31.527 31.700 -0.020 0.000 0.782 202 V N -0.434 119.445 119.914 -0.059 0.000 2.358 202 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 202 V C 2.323 178.341 176.094 -0.127 0.000 1.047 202 V CA 1.419 63.645 62.300 -0.123 0.000 1.035 202 V CB -1.170 30.599 31.823 -0.091 0.000 0.658 202 V HN 0.062 nan 8.190 nan 0.000 0.452 203 L N 1.403 122.595 121.223 -0.051 0.000 2.079 203 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 203 L C 2.303 179.132 176.870 -0.068 0.000 1.081 203 L CA 2.412 57.223 54.840 -0.049 0.000 0.752 203 L CB -1.261 40.796 42.059 -0.004 0.000 0.896 203 L HN 0.292 nan 8.230 nan 0.000 0.433 204 G N -0.803 108.003 108.800 0.011 0.000 2.422 204 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 204 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 204 G C 1.615 176.482 174.900 -0.054 0.000 1.146 204 G CA 0.975 46.138 45.100 0.105 0.000 0.769 204 G HN 0.438 nan 8.290 nan 0.000 0.547 205 L N 0.109 121.259 121.223 -0.121 0.000 2.056 205 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 205 L C 2.973 179.831 176.870 -0.020 0.000 1.078 205 L CA 0.492 55.237 54.840 -0.158 0.000 0.749 205 L CB -0.355 41.441 42.059 -0.438 0.000 0.901 205 L HN 0.101 nan 8.230 nan 0.000 0.433 206 V N -1.064 118.783 119.914 -0.112 0.000 2.379 206 V HA -0.201 3.918 4.120 -0.000 0.000 0.245 206 V C 2.355 178.408 176.094 -0.070 0.000 1.044 206 V CA 1.238 63.548 62.300 0.016 0.000 1.036 206 V CB -0.060 31.727 31.823 -0.059 0.000 0.664 206 V HN 0.158 nan 8.190 nan 0.000 0.453 207 V N 0.029 119.778 119.914 -0.275 0.000 2.237 207 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 207 V C 2.604 178.448 176.094 -0.417 0.000 1.046 207 V CA 2.160 64.170 62.300 -0.483 0.000 1.007 207 V CB -0.802 30.373 31.823 -1.081 0.000 0.638 207 V HN 0.446 nan 8.190 nan 0.000 0.445 208 R N -0.257 119.990 120.500 -0.421 0.000 2.113 208 R HA -0.268 4.072 4.340 -0.000 0.000 0.244 208 R C 2.485 178.744 176.300 -0.068 0.000 1.142 208 R CA 2.150 58.143 56.100 -0.179 0.000 0.953 208 R CB -0.469 29.813 30.300 -0.030 0.000 0.860 208 R HN 0.348 nan 8.270 nan 0.000 0.438 209 R N 1.268 121.759 120.500 -0.014 0.000 2.073 209 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 209 R C 1.494 177.756 176.300 -0.063 0.000 1.134 209 R CA 1.998 58.082 56.100 -0.027 0.000 0.952 209 R CB -0.507 29.790 30.300 -0.005 0.000 0.850 209 R HN 0.124 nan 8.270 nan 0.000 0.433 210 D N 0.229 120.614 120.400 -0.024 0.000 2.182 210 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 210 D C 1.454 177.756 176.300 0.003 0.000 0.986 210 D CA 1.380 55.390 54.000 0.017 0.000 0.847 210 D CB -0.017 40.791 40.800 0.014 0.000 0.942 210 D HN 0.511 nan 8.370 nan 0.000 0.467 211 E N 0.121 120.304 120.200 -0.029 0.000 2.250 211 E HA -0.028 4.321 4.350 -0.000 0.000 0.192 211 E C 1.826 178.435 176.600 0.015 0.000 0.986 211 E CA 0.089 56.490 56.400 0.002 0.000 0.849 211 E CB 0.167 29.869 29.700 0.004 0.000 0.797 211 E HN 0.308 nan 8.360 nan 0.000 0.482 212 E N 0.736 120.933 120.200 -0.006 0.000 2.110 212 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 212 E C 2.030 178.631 176.600 0.001 0.000 0.988 212 E CA 0.776 57.180 56.400 0.006 0.000 0.804 212 E CB 0.025 29.710 29.700 -0.024 0.000 0.745 212 E HN 0.283 nan 8.360 nan 0.000 0.458 213 I N 0.911 121.439 120.570 -0.070 0.000 2.252 213 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 213 I C 2.234 178.364 176.117 0.023 0.000 1.102 213 I CA 1.105 62.340 61.300 -0.108 0.000 1.385 213 I CB -0.140 37.689 38.000 -0.286 0.000 1.064 213 I HN 0.045 nan 8.210 nan 0.000 0.414 214 E N 0.668 120.893 120.200 0.042 0.000 2.106 214 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 214 E C 1.509 178.152 176.600 0.073 0.000 0.984 214 E CA 1.200 57.638 56.400 0.064 0.000 0.806 214 E CB -0.129 29.607 29.700 0.060 0.000 0.750 214 E HN 0.464 nan 8.360 nan 0.000 0.458 215 N N -0.267 118.480 118.700 0.078 0.000 2.467 215 N HA 0.007 4.747 4.740 -0.000 0.000 0.184 215 N C -0.094 175.468 175.510 0.087 0.000 1.106 215 N CA 0.033 53.123 53.050 0.068 0.000 0.892 215 N CB 0.062 38.583 38.487 0.057 0.000 0.969 215 N HN 0.017 nan 8.380 nan 0.000 0.454 216 F N 1.549 121.482 119.950 -0.028 0.000 2.518 216 F HA 0.227 4.754 4.527 -0.000 0.000 0.359 216 F C 0.226 176.011 175.800 -0.025 0.000 1.118 216 F CA -0.749 57.232 58.000 -0.032 0.000 1.287 216 F CB 0.594 39.563 39.000 -0.051 0.000 1.132 216 F HN -0.211 nan 8.300 nan 0.000 0.587 217 V N 3.309 122.762 119.914 -0.767 0.000 2.482 217 V HA 0.774 4.894 4.120 -0.000 0.000 0.295 217 V C -0.229 175.408 176.094 -0.761 0.000 1.026 217 V CA -1.023 60.969 62.300 -0.513 0.000 0.856 217 V CB 0.487 32.139 31.823 -0.285 0.000 1.001 217 V HN 1.116 nan 8.190 nan 0.000 0.424 218 A N 4.804 127.408 122.820 -0.360 0.000 2.524 218 A HA 0.572 4.892 4.320 -0.000 0.000 0.250 218 A C 0.363 177.855 177.584 -0.153 0.000 1.078 218 A CA 0.260 52.205 52.037 -0.155 0.000 0.761 218 A CB 0.005 19.035 19.000 0.050 0.000 1.012 218 A HN 1.301 nan 8.150 nan 0.000 0.500 219 K N 2.505 122.836 120.400 -0.115 0.000 2.482 219 K HA 0.503 4.822 4.320 -0.000 0.000 0.251 219 K C -1.401 175.179 176.600 -0.033 0.000 0.936 219 K CA -0.755 55.485 56.287 -0.077 0.000 0.791 219 K CB 1.898 34.342 32.500 -0.092 0.000 1.213 219 K HN 0.433 nan 8.250 nan 0.000 0.428 220 D N 2.995 123.332 120.400 -0.105 0.000 2.345 220 D HA 0.288 4.928 4.640 -0.000 0.000 0.247 220 D C -0.473 175.619 176.300 -0.345 0.000 1.108 220 D CA 0.194 54.031 54.000 -0.270 0.000 0.894 220 D CB 0.653 41.267 40.800 -0.310 0.000 1.203 220 D HN 0.528 nan 8.370 nan 0.000 0.430 221 F N 0.016 119.566 119.950 -0.667 0.000 2.692 221 F HA 0.732 5.259 4.527 -0.000 0.000 0.320 221 F C -1.706 173.534 175.800 -0.933 0.000 1.123 221 F CA -1.161 56.406 58.000 -0.721 0.000 0.961 221 F CB 1.044 39.888 39.000 -0.259 0.000 1.383 221 F HN 0.058 nan 8.300 nan 0.000 0.483 222 F N -0.002 120.097 119.950 0.249 0.000 2.599 222 F HA 0.643 5.170 4.527 -0.000 0.000 0.311 222 F C -0.503 175.437 175.800 0.232 0.000 1.076 222 F CA -0.797 57.279 58.000 0.125 0.000 0.937 222 F CB 2.303 41.365 39.000 0.103 0.000 1.282 222 F HN 0.538 nan 8.300 nan 0.000 0.460 223 E N 0.319 120.737 120.200 0.363 0.000 2.359 223 E HA 0.725 5.075 4.350 -0.000 0.000 0.266 223 E C -1.664 175.128 176.600 0.320 0.000 0.920 223 E CA -1.093 55.501 56.400 0.323 0.000 0.788 223 E CB 3.195 33.043 29.700 0.247 0.000 1.279 223 E HN 0.306 nan 8.360 nan 0.000 0.438 224 V N 2.170 122.305 119.914 0.368 0.000 2.378 224 V HA 0.301 4.421 4.120 -0.000 0.000 0.288 224 V C -0.490 175.848 176.094 0.407 0.000 1.016 224 V CA -0.637 61.883 62.300 0.367 0.000 0.840 224 V CB 1.370 33.435 31.823 0.402 0.000 0.994 224 V HN 0.482 nan 8.190 nan 0.000 0.431 225 K N 3.632 124.234 120.400 0.338 0.000 2.293 225 K HA 0.719 5.039 4.320 -0.000 0.000 0.267 225 K C -0.076 176.714 176.600 0.317 0.000 1.010 225 K CA -0.377 56.109 56.287 0.331 0.000 0.875 225 K CB 1.341 34.000 32.500 0.265 0.000 1.106 225 K HN 0.813 nan 8.250 nan 0.000 0.450 226 A N 5.053 128.027 122.820 0.257 0.000 2.343 226 A HA 0.177 4.497 4.320 -0.000 0.000 0.305 226 A C -0.698 176.889 177.584 0.005 0.000 1.308 226 A CA -0.429 51.606 52.037 -0.002 0.000 0.949 226 A CB -0.120 18.608 19.000 -0.454 0.000 1.148 226 A HN 0.812 nan 8.150 nan 0.000 0.545 227 H N 3.240 122.251 119.070 -0.098 0.000 3.017 227 H HA 0.199 4.755 4.556 -0.000 0.000 0.276 227 H C -0.155 175.041 175.328 -0.220 0.000 1.062 227 H CA 0.551 56.528 56.048 -0.119 0.000 1.486 227 H CB 0.509 30.226 29.762 -0.075 0.000 1.507 227 H HN 0.514 nan 8.280 nan 0.000 0.508 228 I N 3.212 123.599 120.570 -0.305 0.000 2.750 228 I HA 0.342 4.512 4.170 -0.000 0.000 0.308 228 I C -0.069 175.767 176.117 -0.469 0.000 1.016 228 I CA -0.853 60.153 61.300 -0.490 0.000 1.098 228 I CB 2.341 39.814 38.000 -0.878 0.000 1.279 228 I HN 0.246 nan 8.210 nan 0.000 0.454 229 V N 2.492 122.198 119.914 -0.347 0.000 2.971 229 V HA 0.486 4.606 4.120 -0.000 0.000 0.309 229 V C -0.410 175.605 176.094 -0.132 0.000 1.130 229 V CA -0.274 61.903 62.300 -0.204 0.000 0.964 229 V CB 2.736 34.491 31.823 -0.114 0.000 1.029 229 V HN 0.945 nan 8.190 nan 0.000 0.427 230 T N 2.934 117.456 114.554 -0.054 0.000 2.925 230 T HA 0.536 4.886 4.350 -0.000 0.000 0.285 230 T C -1.863 172.830 174.700 -0.012 0.000 1.021 230 T CA -1.865 60.231 62.100 -0.007 0.000 1.042 230 T CB 1.603 70.499 68.868 0.047 0.000 1.037 230 T HN 0.508 nan 8.240 nan 0.000 0.481 231 P HA -0.102 nan 4.420 nan 0.000 0.218 231 P C 0.832 178.127 177.300 -0.008 0.000 1.147 231 P CA 1.149 64.242 63.100 -0.011 0.000 0.827 231 P CB -0.247 31.447 31.700 -0.010 0.000 0.778 232 A N -0.562 122.257 122.820 -0.002 0.000 2.577 232 A HA 0.144 4.464 4.320 -0.000 0.000 0.280 232 A C 0.254 177.840 177.584 0.004 0.000 1.331 232 A CA -0.142 51.895 52.037 -0.000 0.000 0.935 232 A CB -0.747 18.252 19.000 -0.000 0.000 1.082 232 A HN 0.077 nan 8.150 nan 0.000 0.525 233 D N 0.063 120.463 120.400 -0.000 0.000 2.882 233 D HA -0.178 4.462 4.640 -0.000 0.000 0.229 233 D C -0.316 175.991 176.300 0.012 0.000 1.167 233 D CA 1.430 55.429 54.000 -0.000 0.000 0.759 233 D CB -1.521 39.278 40.800 -0.001 0.000 1.088 233 D HN 0.792 nan 8.370 nan 0.000 0.425 234 E N 0.396 120.612 120.200 0.027 0.000 2.227 234 E HA 0.447 4.797 4.350 -0.000 0.000 0.282 234 E C 0.434 177.078 176.600 0.075 0.000 1.015 234 E CA -0.371 56.065 56.400 0.059 0.000 0.823 234 E CB 1.344 31.094 29.700 0.084 0.000 1.081 234 E HN 0.112 nan 8.360 nan 0.000 0.396 235 R N 2.995 123.541 120.500 0.077 0.000 2.589 235 R HA 0.589 4.929 4.340 -0.000 0.000 0.293 235 R C -0.578 175.806 176.300 0.141 0.000 0.963 235 R CA -0.620 55.494 56.100 0.024 0.000 0.905 235 R CB 0.920 31.221 30.300 0.001 0.000 1.144 235 R HN 0.515 nan 8.270 nan 0.000 0.459 236 F N -2.111 117.826 119.950 -0.022 0.000 3.016 236 F HA 0.639 5.166 4.527 -0.000 0.000 0.324 236 F C -1.139 174.619 175.800 -0.070 0.000 1.196 236 F CA -1.001 56.979 58.000 -0.034 0.000 0.929 236 F CB 1.633 40.629 39.000 -0.007 0.000 1.440 236 F HN 0.161 nan 8.300 nan 0.000 0.505 237 T N 0.964 115.697 114.554 0.298 0.000 2.886 237 T HA 0.805 5.155 4.350 -0.000 0.000 0.292 237 T C -1.171 173.705 174.700 0.293 0.000 1.012 237 T CA -0.428 61.730 62.100 0.098 0.000 0.982 237 T CB 1.522 70.376 68.868 -0.024 0.000 1.018 237 T HN 0.972 nan 8.240 nan 0.000 0.451 238 A N 2.948 125.913 122.820 0.241 0.000 2.435 238 A HA 0.883 5.203 4.320 -0.000 0.000 0.304 238 A C -0.884 176.963 177.584 0.438 0.000 1.064 238 A CA -0.717 51.529 52.037 0.350 0.000 0.727 238 A CB 0.813 20.053 19.000 0.400 0.000 1.284 238 A HN 0.813 nan 8.150 nan 0.000 0.415 239 I N 0.947 121.748 120.570 0.385 0.000 2.428 239 I HA 0.280 4.450 4.170 -0.000 0.000 0.296 239 I C -0.419 175.850 176.117 0.252 0.000 0.985 239 I CA -0.348 61.150 61.300 0.329 0.000 1.260 239 I CB 1.374 39.484 38.000 0.184 0.000 1.389 239 I HN 0.801 nan 8.210 nan 0.000 0.484 240 W N 6.191 127.386 121.300 -0.176 0.000 2.311 240 W HA 0.280 4.940 4.660 -0.000 0.000 0.310 240 W C -0.630 175.686 176.519 -0.338 0.000 1.274 240 W CA -0.680 56.202 57.345 -0.772 0.000 1.215 240 W CB 0.553 29.492 29.460 -0.869 0.000 1.227 240 W HN 0.418 nan 8.180 nan 0.000 0.523 241 Q N 8.072 127.450 119.800 -0.703 0.000 2.465 241 Q HA 0.235 4.575 4.340 -0.000 0.000 0.237 241 Q C -2.037 173.279 176.000 -1.140 0.000 1.051 241 Q CA -1.922 53.456 55.803 -0.709 0.000 0.874 241 Q CB 0.792 29.336 28.738 -0.323 0.000 1.207 241 Q HN 0.186 nan 8.270 nan 0.000 0.508 242 P HA -0.137 nan 4.420 nan 0.000 0.263 242 P C -0.212 176.819 177.300 -0.447 0.000 1.175 242 P CA 0.419 62.742 63.100 -1.296 0.000 0.761 242 P CB 0.514 31.621 31.700 -0.989 0.000 0.794 243 S N 1.323 116.949 115.700 -0.124 0.000 2.568 243 S HA -0.006 4.464 4.470 -0.000 0.000 0.282 243 S C 1.118 175.691 174.600 -0.044 0.000 1.338 243 S CA -0.340 57.845 58.200 -0.025 0.000 1.045 243 S CB 0.572 63.823 63.200 0.085 0.000 0.873 243 S HN 0.547 nan 8.310 nan 0.000 0.516 244 E N 1.401 121.578 120.200 -0.038 0.000 2.482 244 E HA 0.066 4.416 4.350 -0.000 0.000 0.196 244 E C 1.904 178.496 176.600 -0.014 0.000 1.047 244 E CA 0.564 56.942 56.400 -0.037 0.000 0.869 244 E CB -0.503 29.174 29.700 -0.039 0.000 0.836 244 E HN 0.842 nan 8.360 nan 0.000 0.520 245 A N 0.364 123.189 122.820 0.008 0.000 1.902 245 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 245 A C 1.488 179.084 177.584 0.020 0.000 1.181 245 A CA 1.149 53.198 52.037 0.020 0.000 0.623 245 A CB -0.687 18.337 19.000 0.041 0.000 0.818 245 A HN 0.516 nan 8.150 nan 0.000 0.443 246 C N -2.135 117.184 119.300 0.032 0.000 2.365 246 C HA 0.825 5.285 4.460 -0.000 0.000 0.349 246 C C 0.638 175.627 174.990 -0.002 0.000 1.191 246 C CA 0.068 59.108 59.018 0.036 0.000 2.114 246 C CB 1.507 29.312 27.740 0.110 0.000 2.367 246 C HN 0.651 nan 8.230 nan 0.000 0.530 247 E N 0.510 120.696 120.200 -0.024 0.000 2.314 247 E HA 0.128 4.478 4.350 -0.000 0.000 0.216 247 E C -1.811 174.740 176.600 -0.082 0.000 1.048 247 E CA 0.066 56.437 56.400 -0.048 0.000 1.575 247 E CB 0.086 29.751 29.700 -0.057 0.000 3.354 247 E HN 0.538 nan 8.360 nan 0.000 1.075 248 P HA -0.118 nan 4.420 nan 0.000 0.234 248 P C -0.271 176.792 177.300 -0.394 0.000 1.162 248 P CA 1.172 64.074 63.100 -0.329 0.000 0.759 248 P CB -0.208 31.198 31.700 -0.490 0.000 0.813 249 Y N -0.391 119.940 120.300 0.051 0.000 2.720 249 Y HA 0.234 4.784 4.550 -0.000 0.000 0.268 249 Y C 0.975 176.932 175.900 0.094 0.000 1.142 249 Y CA -0.760 57.396 58.100 0.093 0.000 1.193 249 Y CB 0.408 38.943 38.460 0.126 0.000 1.176 249 Y HN 0.047 nan 8.280 nan 0.000 0.542 250 Q N -0.694 119.188 119.800 0.136 0.000 2.462 250 Q HA 0.337 4.677 4.340 -0.000 0.000 0.285 250 Q C -1.500 174.501 176.000 0.001 0.000 1.035 250 Q CA -1.164 54.676 55.803 0.061 0.000 0.799 250 Q CB 1.907 30.649 28.738 0.008 0.000 1.452 250 Q HN 0.135 nan 8.270 nan 0.000 0.404 251 D N 0.621 120.996 120.400 -0.042 0.000 2.380 251 D HA -0.031 4.609 4.640 -0.000 0.000 0.254 251 D C 0.437 176.693 176.300 -0.074 0.000 1.288 251 D CA -0.276 53.688 54.000 -0.060 0.000 1.008 251 D CB 0.480 41.227 40.800 -0.089 0.000 1.099 251 D HN 0.530 nan 8.370 nan 0.000 0.537 252 E N -0.579 119.580 120.200 -0.068 0.000 2.516 252 E HA -0.064 4.286 4.350 -0.000 0.000 0.199 252 E C 0.489 177.042 176.600 -0.078 0.000 1.069 252 E CA 0.440 56.802 56.400 -0.064 0.000 0.876 252 E CB -0.195 29.476 29.700 -0.049 0.000 0.843 252 E HN 0.534 nan 8.360 nan 0.000 0.530 253 E N -0.471 119.665 120.200 -0.107 0.000 2.511 253 E HA 0.173 4.522 4.350 -0.000 0.000 0.209 253 E C 0.989 177.502 176.600 -0.146 0.000 0.986 253 E CA 0.368 56.694 56.400 -0.124 0.000 0.974 253 E CB 0.974 30.585 29.700 -0.148 0.000 1.030 253 E HN 0.248 nan 8.360 nan 0.000 0.490 254 G N 2.534 111.245 108.800 -0.148 0.000 2.132 254 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.228 254 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.228 254 G C -0.029 174.751 174.900 -0.199 0.000 1.000 254 G CA -0.222 44.785 45.100 -0.154 0.000 0.693 254 G HN 0.108 nan 8.290 nan 0.000 0.515 255 R N -0.291 120.049 120.500 -0.266 0.000 2.229 255 R HA 0.504 4.843 4.340 -0.000 0.000 0.332 255 R C 0.005 176.182 176.300 -0.205 0.000 0.989 255 R CA -0.977 54.870 56.100 -0.421 0.000 0.842 255 R CB 1.605 31.340 30.300 -0.942 0.000 1.119 255 R HN 0.183 nan 8.270 nan 0.000 0.456 256 L N 3.988 125.199 121.223 -0.020 0.000 2.477 256 L HA -0.012 4.328 4.340 -0.000 0.000 0.272 256 L C 0.524 177.544 176.870 0.250 0.000 1.157 256 L CA 0.435 55.362 54.840 0.146 0.000 0.889 256 L CB 0.493 42.684 42.059 0.218 0.000 1.158 256 L HN 0.650 nan 8.230 nan 0.000 0.473 257 L N 4.830 126.204 121.223 0.252 0.000 2.202 257 L HA 0.168 4.508 4.340 -0.000 0.000 0.205 257 L C 0.637 177.681 176.870 0.291 0.000 1.083 257 L CA 0.827 55.814 54.840 0.245 0.000 0.790 257 L CB -0.405 41.792 42.059 0.231 0.000 0.942 257 L HN 0.577 nan 8.230 nan 0.000 0.452 258 H N -0.985 118.261 119.070 0.293 0.000 2.539 258 H HA 0.252 4.808 4.556 -0.000 0.000 0.332 258 H C 0.474 175.859 175.328 0.095 0.000 1.031 258 H CA -0.300 55.863 56.048 0.191 0.000 1.206 258 H CB 1.728 31.482 29.762 -0.014 0.000 1.446 258 H HN -0.014 nan 8.280 nan 0.000 0.496 259 R N 3.616 124.084 120.500 -0.053 0.000 2.120 259 R HA -0.045 4.295 4.340 -0.000 0.000 0.234 259 R C -1.197 175.017 176.300 -0.143 0.000 1.123 259 R CA 0.516 56.391 56.100 -0.376 0.000 0.975 259 R CB -0.719 28.991 30.300 -0.984 0.000 0.866 259 R HN 0.370 nan 8.270 nan 0.000 0.446 260 P HA -0.088 nan 4.420 nan 0.000 0.261 260 P C 0.107 177.355 177.300 -0.086 0.000 1.288 260 P CA 0.937 64.001 63.100 -0.059 0.000 0.751 260 P CB 0.009 31.683 31.700 -0.044 0.000 1.103 261 L N -3.054 118.147 121.223 -0.036 0.000 3.154 261 L HA 0.384 4.724 4.340 -0.000 0.000 0.280 261 L C 1.985 178.900 176.870 0.074 0.000 1.134 261 L CA 0.569 55.420 54.840 0.018 0.000 1.037 261 L CB -0.529 41.541 42.059 0.019 0.000 1.571 261 L HN -0.170 nan 8.230 nan 0.000 0.576 262 A N -0.275 122.580 122.820 0.057 0.000 1.929 262 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 262 A C 1.949 179.526 177.584 -0.011 0.000 1.176 262 A CA 1.429 53.501 52.037 0.058 0.000 0.628 262 A CB -0.291 18.741 19.000 0.052 0.000 0.816 262 A HN 0.433 nan 8.150 nan 0.000 0.444 263 E N -0.464 119.719 120.200 -0.028 0.000 2.038 263 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 263 E C 1.871 178.481 176.600 0.016 0.000 1.000 263 E CA 1.463 57.849 56.400 -0.023 0.000 0.803 263 E CB -0.726 28.953 29.700 -0.035 0.000 0.750 263 E HN 0.883 nan 8.360 nan 0.000 0.448 264 H N 0.455 119.478 119.070 -0.079 0.000 2.457 264 H HA -0.080 4.476 4.556 -0.000 0.000 0.297 264 H C 1.939 177.201 175.328 -0.110 0.000 1.092 264 H CA 0.931 56.932 56.048 -0.079 0.000 1.309 264 H CB 0.478 30.203 29.762 -0.062 0.000 1.382 264 H HN -0.048 nan 8.280 nan 0.000 0.535 265 V N -0.164 119.631 119.914 -0.197 0.000 2.446 265 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 265 V C 2.626 178.592 176.094 -0.214 0.000 1.039 265 V CA 0.907 62.997 62.300 -0.350 0.000 1.045 265 V CB -0.107 31.335 31.823 -0.635 0.000 0.681 265 V HN 0.230 nan 8.190 nan 0.000 0.459 266 V N 1.316 121.160 119.914 -0.118 0.000 2.252 266 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 266 V C 2.089 178.139 176.094 -0.073 0.000 1.056 266 V CA 2.843 65.106 62.300 -0.062 0.000 1.022 266 V CB -1.044 30.760 31.823 -0.032 0.000 0.641 266 V HN 0.650 nan 8.190 nan 0.000 0.445 267 N N -0.598 118.063 118.700 -0.065 0.000 2.331 267 N HA -0.112 4.628 4.740 -0.000 0.000 0.180 267 N C 1.968 177.431 175.510 -0.078 0.000 1.019 267 N CA 0.608 53.626 53.050 -0.053 0.000 0.881 267 N CB -0.226 38.254 38.487 -0.013 0.000 0.972 267 N HN 0.343 nan 8.380 nan 0.000 0.435 268 R N 1.102 121.521 120.500 -0.135 0.000 2.152 268 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 268 R C 1.584 177.808 176.300 -0.127 0.000 1.117 268 R CA 1.105 57.104 56.100 -0.168 0.000 0.981 268 R CB -0.099 30.026 30.300 -0.292 0.000 0.870 268 R HN 0.441 nan 8.270 nan 0.000 0.451 269 I N -3.367 117.129 120.570 -0.123 0.000 4.070 269 I HA 0.221 4.391 4.170 -0.000 0.000 0.328 269 I C 0.566 176.610 176.117 -0.121 0.000 1.298 269 I CA -0.378 60.845 61.300 -0.129 0.000 1.173 269 I CB 0.556 38.457 38.000 -0.164 0.000 1.051 269 I HN -0.172 nan 8.210 nan 0.000 0.409 270 S N 2.064 117.706 115.700 -0.097 0.000 2.552 270 S HA 0.342 4.812 4.470 -0.000 0.000 0.289 270 S C 1.365 175.918 174.600 -0.078 0.000 1.304 270 S CA 0.728 58.877 58.200 -0.086 0.000 1.063 270 S CB -0.149 63.009 63.200 -0.071 0.000 0.848 270 S HN 0.966 nan 8.310 nan 0.000 0.499 271 G N 3.611 112.364 108.800 -0.078 0.000 2.341 271 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.292 271 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.292 271 G C -0.095 174.764 174.900 -0.068 0.000 1.021 271 G CA 0.217 45.276 45.100 -0.068 0.000 0.905 271 G HN 0.672 nan 8.290 nan 0.000 0.508 272 Q N -0.361 119.389 119.800 -0.084 0.000 2.301 272 Q HA 0.466 4.806 4.340 -0.000 0.000 0.267 272 Q C -2.307 173.645 176.000 -0.081 0.000 1.035 272 Q CA -1.955 53.801 55.803 -0.078 0.000 0.856 272 Q CB 2.417 31.104 28.738 -0.086 0.000 1.337 272 Q HN 0.250 nan 8.270 nan 0.000 0.450 273 P HA 0.147 nan 4.420 nan 0.000 0.271 273 P C -1.340 175.927 177.300 -0.056 0.000 1.216 273 P CA -0.114 62.955 63.100 -0.052 0.000 0.771 273 P CB 0.615 32.296 31.700 -0.030 0.000 0.864 274 A N 5.326 128.110 122.820 -0.059 0.000 2.267 274 A HA 0.523 4.843 4.320 -0.000 0.000 0.315 274 A C -0.024 177.563 177.584 0.005 0.000 1.297 274 A CA -0.699 51.310 52.037 -0.048 0.000 0.865 274 A CB 0.143 19.084 19.000 -0.097 0.000 1.165 274 A HN 0.354 nan 8.150 nan 0.000 0.513 275 I N 3.163 123.752 120.570 0.032 0.000 2.365 275 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 275 I C 0.263 176.426 176.117 0.078 0.000 1.004 275 I CA -0.587 60.742 61.300 0.048 0.000 1.311 275 I CB 1.288 39.314 38.000 0.044 0.000 1.401 275 I HN 0.277 nan 8.210 nan 0.000 0.491 276 V N 7.297 127.259 119.914 0.080 0.000 2.421 276 V HA 0.023 4.143 4.120 -0.000 0.000 0.271 276 V C 1.458 177.607 176.094 0.093 0.000 1.031 276 V CA 0.265 62.627 62.300 0.102 0.000 1.032 276 V CB 0.259 32.140 31.823 0.097 0.000 1.009 276 V HN 0.909 nan 8.190 nan 0.000 0.477 277 T N 3.158 117.775 114.554 0.105 0.000 2.698 277 T HA -0.021 4.329 4.350 -0.000 0.000 0.260 277 T C 0.783 175.536 174.700 0.088 0.000 1.044 277 T CA 1.431 63.585 62.100 0.090 0.000 1.149 277 T CB 0.069 68.994 68.868 0.095 0.000 0.864 277 T HN 0.790 nan 8.240 nan 0.000 0.419 278 S N -0.407 115.355 115.700 0.103 0.000 2.541 278 S HA 0.617 5.087 4.470 -0.000 0.000 0.271 278 S C -1.683 173.009 174.600 0.153 0.000 1.133 278 S CA -1.060 57.203 58.200 0.105 0.000 0.876 278 S CB 1.822 65.061 63.200 0.066 0.000 1.105 278 S HN 0.365 nan 8.310 nan 0.000 0.470 279 Y N 2.053 122.360 120.300 0.011 0.000 2.361 279 Y HA 0.714 5.264 4.550 -0.000 0.000 0.337 279 Y C -1.208 174.689 175.900 -0.006 0.000 0.965 279 Y CA -0.491 57.607 58.100 -0.005 0.000 1.091 279 Y CB 1.679 40.133 38.460 -0.009 0.000 1.182 279 Y HN 0.882 nan 8.280 nan 0.000 0.450 280 N N 4.079 122.443 118.700 -0.560 0.000 2.371 280 N HA 0.197 4.937 4.740 -0.000 0.000 0.291 280 N C -2.113 173.010 175.510 -0.644 0.000 1.053 280 N CA -0.647 52.112 53.050 -0.485 0.000 0.870 280 N CB 1.726 40.091 38.487 -0.204 0.000 1.503 280 N HN 0.763 nan 8.380 nan 0.000 0.485 281 D N 1.369 121.464 120.400 -0.507 0.000 2.456 281 D HA 0.228 4.867 4.640 -0.000 0.000 0.287 281 D C -0.729 175.500 176.300 -0.118 0.000 1.186 281 D CA -0.331 53.492 54.000 -0.295 0.000 0.916 281 D CB 0.311 40.999 40.800 -0.185 0.000 1.029 281 D HN 0.211 nan 8.370 nan 0.000 0.498 282 K N 1.017 121.361 120.400 -0.093 0.000 2.087 282 K HA 0.476 4.796 4.320 -0.000 0.000 0.255 282 K C -0.192 176.410 176.600 0.003 0.000 0.988 282 K CA -0.839 55.426 56.287 -0.036 0.000 0.915 282 K CB 1.029 33.507 32.500 -0.036 0.000 1.043 282 K HN 0.125 nan 8.250 nan 0.000 0.457 283 R N 2.502 123.015 120.500 0.022 0.000 2.247 283 R HA 0.091 4.431 4.340 -0.000 0.000 0.329 283 R C -0.928 175.411 176.300 0.066 0.000 1.014 283 R CA -0.387 55.743 56.100 0.050 0.000 0.907 283 R CB 0.634 30.959 30.300 0.041 0.000 1.146 283 R HN 0.631 nan 8.270 nan 0.000 0.499 284 E N 1.908 122.169 120.200 0.101 0.000 2.191 284 E HA 0.395 4.745 4.350 -0.000 0.000 0.274 284 E C -1.083 175.628 176.600 0.186 0.000 0.948 284 E CA -0.989 55.476 56.400 0.109 0.000 0.802 284 E CB 1.829 31.568 29.700 0.066 0.000 1.137 284 E HN 0.397 nan 8.360 nan 0.000 0.397 285 S N 1.769 117.562 115.700 0.155 0.000 2.500 285 S HA 0.358 4.828 4.470 -0.000 0.000 0.301 285 S C -0.534 174.188 174.600 0.203 0.000 1.092 285 S CA -0.977 57.341 58.200 0.197 0.000 1.030 285 S CB 1.684 64.964 63.200 0.134 0.000 1.031 285 S HN 0.656 nan 8.310 nan 0.000 0.483 286 E N 1.977 122.363 120.200 0.309 0.000 2.145 286 E HA 0.377 4.727 4.350 -0.000 0.000 0.262 286 E C -0.602 176.208 176.600 0.350 0.000 0.883 286 E CA -0.364 56.226 56.400 0.316 0.000 0.748 286 E CB 1.307 31.280 29.700 0.455 0.000 1.140 286 E HN 0.688 nan 8.360 nan 0.000 0.417 287 S N 1.757 117.533 115.700 0.125 0.000 2.566 287 S HA 0.160 4.630 4.470 -0.000 0.000 0.280 287 S C 0.066 174.430 174.600 -0.394 0.000 1.343 287 S CA -0.220 57.956 58.200 -0.042 0.000 1.036 287 S CB 0.826 63.963 63.200 -0.105 0.000 0.866 287 S HN 0.633 nan 8.310 nan 0.000 0.526 288 A N 4.361 126.735 122.820 -0.744 0.000 2.498 288 A HA 0.370 4.690 4.320 -0.000 0.000 0.239 288 A C -1.965 175.057 177.584 -0.937 0.000 1.068 288 A CA -0.991 50.184 52.037 -1.435 0.000 0.766 288 A CB -0.491 18.006 19.000 -0.837 0.000 1.003 288 A HN 0.561 nan 8.150 nan 0.000 0.497 289 P HA 0.228 nan 4.420 nan 0.000 0.272 289 P C -0.360 176.608 177.300 -0.554 0.000 1.223 289 P CA -0.127 62.602 63.100 -0.619 0.000 0.784 289 P CB 0.470 31.854 31.700 -0.528 0.000 0.923 290 L N 3.268 124.205 121.223 -0.477 0.000 2.473 290 L HA 0.204 4.544 4.340 -0.000 0.000 0.268 290 L C -1.547 175.002 176.870 -0.536 0.000 1.215 290 L CA -1.768 52.754 54.840 -0.529 0.000 0.823 290 L CB -0.484 41.224 42.059 -0.584 0.000 1.099 290 L HN 0.305 nan 8.230 nan 0.000 0.483 291 P HA -0.054 nan 4.420 nan 0.000 0.269 291 P C -0.733 176.380 177.300 -0.312 0.000 1.217 291 P CA -0.031 62.798 63.100 -0.451 0.000 0.783 291 P CB 0.280 31.790 31.700 -0.316 0.000 0.898 292 F N 0.399 120.281 119.950 -0.113 0.000 2.484 292 F HA 0.095 4.622 4.527 -0.000 0.000 0.360 292 F C 1.765 177.513 175.800 -0.086 0.000 1.101 292 F CA 0.244 58.188 58.000 -0.094 0.000 1.251 292 F CB -0.096 38.867 39.000 -0.062 0.000 1.132 292 F HN 0.245 nan 8.300 nan 0.000 0.570 293 S N 3.355 119.146 115.700 0.152 0.000 2.655 293 S HA 0.265 4.735 4.470 -0.000 0.000 0.265 293 S C 0.985 175.593 174.600 0.014 0.000 1.240 293 S CA -0.797 57.438 58.200 0.057 0.000 0.986 293 S CB 0.875 64.095 63.200 0.034 0.000 0.985 293 S HN 0.641 nan 8.310 nan 0.000 0.562 294 L N 1.534 122.722 121.223 -0.057 0.000 2.042 294 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 294 L C 2.563 179.370 176.870 -0.105 0.000 1.076 294 L CA 2.695 57.469 54.840 -0.109 0.000 0.749 294 L CB -1.490 40.480 42.059 -0.147 0.000 0.893 294 L HN 0.970 nan 8.230 nan 0.000 0.432 295 S N -0.683 114.978 115.700 -0.065 0.000 2.406 295 S HA -0.014 4.455 4.470 -0.000 0.000 0.228 295 S C 2.119 176.685 174.600 -0.056 0.000 1.020 295 S CA 0.638 58.805 58.200 -0.055 0.000 0.965 295 S CB -0.967 62.219 63.200 -0.024 0.000 0.798 295 S HN 0.530 nan 8.310 nan 0.000 0.488 296 A N 2.246 125.055 122.820 -0.019 0.000 1.877 296 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 296 A C 2.236 179.690 177.584 -0.216 0.000 1.186 296 A CA 1.602 53.657 52.037 0.029 0.000 0.620 296 A CB -0.991 18.147 19.000 0.229 0.000 0.822 296 A HN 0.546 nan 8.150 nan 0.000 0.443 297 L N -0.067 120.883 121.223 -0.454 0.000 2.042 297 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 297 L C 2.412 179.021 176.870 -0.436 0.000 1.076 297 L CA 2.502 56.829 54.840 -0.855 0.000 0.749 297 L CB -0.766 40.923 42.059 -0.618 0.000 0.893 297 L HN 0.528 nan 8.230 nan 0.000 0.432 298 Q N -0.516 119.141 119.800 -0.238 0.000 2.046 298 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 298 Q C 2.309 178.242 176.000 -0.113 0.000 0.975 298 Q CA 2.102 57.819 55.803 -0.143 0.000 0.836 298 Q CB -0.269 28.411 28.738 -0.097 0.000 0.896 298 Q HN 0.574 nan 8.270 nan 0.000 0.428 299 I N 0.673 121.184 120.570 -0.098 0.000 2.151 299 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 299 I C 2.427 178.501 176.117 -0.072 0.000 1.080 299 I CA 1.387 62.652 61.300 -0.057 0.000 1.339 299 I CB -0.164 37.824 38.000 -0.020 0.000 1.039 299 I HN 0.221 nan 8.210 nan 0.000 0.409 300 E N 1.031 121.158 120.200 -0.122 0.000 2.047 300 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 300 E C 2.135 178.665 176.600 -0.118 0.000 0.987 300 E CA 1.628 57.963 56.400 -0.108 0.000 0.799 300 E CB -0.232 29.390 29.700 -0.130 0.000 0.752 300 E HN 0.420 nan 8.360 nan 0.000 0.449 301 A N 0.853 123.608 122.820 -0.108 0.000 1.908 301 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 301 A C 2.443 180.037 177.584 0.017 0.000 1.181 301 A CA 2.227 54.280 52.037 0.027 0.000 0.627 301 A CB -1.116 17.905 19.000 0.035 0.000 0.818 301 A HN 0.393 nan 8.150 nan 0.000 0.445 302 A N -0.234 122.569 122.820 -0.028 0.000 1.883 302 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 302 A C 2.164 179.714 177.584 -0.056 0.000 1.186 302 A CA 2.140 54.160 52.037 -0.028 0.000 0.624 302 A CB -0.521 18.459 19.000 -0.033 0.000 0.822 302 A HN 0.568 nan 8.150 nan 0.000 0.444 303 K N -1.155 119.195 120.400 -0.082 0.000 1.985 303 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 303 K C 2.321 178.808 176.600 -0.189 0.000 1.047 303 K CA 1.316 57.541 56.287 -0.103 0.000 0.932 303 K CB -0.172 32.280 32.500 -0.080 0.000 0.716 303 K HN 0.229 nan 8.250 nan 0.000 0.439 304 R N -0.660 119.634 120.500 -0.343 0.000 2.090 304 R HA -0.049 4.291 4.340 -0.000 0.000 0.228 304 R C 1.591 177.386 176.300 -0.843 0.000 1.110 304 R CA 1.213 56.867 56.100 -0.743 0.000 0.973 304 R CB -0.036 29.529 30.300 -1.225 0.000 0.869 304 R HN 0.279 nan 8.270 nan 0.000 0.440 305 F N -2.085 117.861 119.950 -0.006 0.000 2.817 305 F HA 0.321 4.847 4.527 -0.000 0.000 0.333 305 F C 1.304 177.096 175.800 -0.014 0.000 1.085 305 F CA 0.171 58.167 58.000 -0.006 0.000 1.170 305 F CB 0.321 39.318 39.000 -0.005 0.000 1.066 305 F HN 0.151 nan 8.300 nan 0.000 0.564 306 G N 1.464 110.318 108.800 0.090 0.000 2.155 306 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 306 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 306 G C 0.157 175.085 174.900 0.047 0.000 0.983 306 G CA -0.020 45.108 45.100 0.047 0.000 0.676 306 G HN 0.280 nan 8.290 nan 0.000 0.528 307 L N 1.983 123.252 121.223 0.077 0.000 2.360 307 L HA 0.428 4.768 4.340 -0.000 0.000 0.276 307 L C 1.509 178.383 176.870 0.006 0.000 1.121 307 L CA 0.156 55.022 54.840 0.043 0.000 0.845 307 L CB 1.096 43.193 42.059 0.063 0.000 1.143 307 L HN 0.442 nan 8.230 nan 0.000 0.452 308 S N 2.675 118.367 115.700 -0.012 0.000 2.579 308 S HA 0.205 4.675 4.470 -0.000 0.000 0.275 308 S C 1.286 175.865 174.600 -0.034 0.000 1.345 308 S CA -0.126 58.056 58.200 -0.030 0.000 1.031 308 S CB 1.528 64.703 63.200 -0.041 0.000 0.892 308 S HN 0.711 nan 8.310 nan 0.000 0.529 309 A N 1.939 124.735 122.820 -0.040 0.000 1.917 309 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 309 A C 2.248 179.803 177.584 -0.049 0.000 1.182 309 A CA 2.161 54.170 52.037 -0.047 0.000 0.633 309 A CB -1.311 17.663 19.000 -0.045 0.000 0.819 309 A HN 0.925 nan 8.150 nan 0.000 0.448 310 Q N 0.125 119.897 119.800 -0.045 0.000 2.119 310 Q HA -0.143 4.197 4.340 -0.000 0.000 0.201 310 Q C 1.857 177.833 176.000 -0.041 0.000 0.972 310 Q CA 1.970 57.748 55.803 -0.043 0.000 0.847 310 Q CB -0.463 28.250 28.738 -0.041 0.000 0.903 310 Q HN 0.673 nan 8.270 nan 0.000 0.433 311 N N -0.836 117.842 118.700 -0.037 0.000 2.188 311 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 311 N C 1.371 176.862 175.510 -0.031 0.000 1.018 311 N CA 1.351 54.382 53.050 -0.031 0.000 0.858 311 N CB -0.128 38.343 38.487 -0.026 0.000 0.989 311 N HN 0.180 nan 8.380 nan 0.000 0.426 312 V N 0.591 120.483 119.914 -0.036 0.000 2.548 312 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 312 V C 2.219 178.282 176.094 -0.052 0.000 1.055 312 V CA 1.009 63.284 62.300 -0.042 0.000 1.065 312 V CB -0.474 31.317 31.823 -0.054 0.000 0.681 312 V HN 0.304 nan 8.190 nan 0.000 0.462 313 L N 0.157 121.345 121.223 -0.059 0.000 2.131 313 L HA -0.045 4.294 4.340 -0.000 0.000 0.206 313 L C 2.005 178.844 176.870 -0.050 0.000 1.087 313 L CA 1.825 56.624 54.840 -0.069 0.000 0.767 313 L CB -0.779 41.234 42.059 -0.077 0.000 0.917 313 L HN 0.257 nan 8.230 nan 0.000 0.441 314 D N 0.012 120.388 120.400 -0.039 0.000 2.084 314 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 314 D C 2.302 178.589 176.300 -0.023 0.000 0.990 314 D CA 2.042 56.023 54.000 -0.030 0.000 0.826 314 D CB -0.245 40.537 40.800 -0.029 0.000 0.971 314 D HN 0.399 nan 8.370 nan 0.000 0.453 315 I N 0.690 121.250 120.570 -0.017 0.000 2.151 315 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 315 I C 2.617 178.744 176.117 0.017 0.000 1.080 315 I CA 0.939 62.240 61.300 0.001 0.000 1.339 315 I CB -0.295 37.706 38.000 0.003 0.000 1.039 315 I HN 0.077 nan 8.210 nan 0.000 0.409 316 C N -0.192 119.109 119.300 0.003 0.000 2.413 316 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 316 C C 2.884 177.902 174.990 0.046 0.000 1.248 316 C CA 0.953 59.979 59.018 0.014 0.000 1.742 316 C CB -0.968 26.743 27.740 -0.047 0.000 2.017 316 C HN 0.506 nan 8.230 nan 0.000 0.481 317 Q N 0.749 120.561 119.800 0.020 0.000 2.124 317 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 317 Q C 2.262 178.296 176.000 0.056 0.000 0.977 317 Q CA 1.557 57.401 55.803 0.068 0.000 0.850 317 Q CB -0.179 28.574 28.738 0.025 0.000 0.901 317 Q HN 0.581 nan 8.270 nan 0.000 0.429 318 K N -0.440 119.951 120.400 -0.015 0.000 2.025 318 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 318 K C 1.921 178.443 176.600 -0.130 0.000 1.049 318 K CA 1.059 57.275 56.287 -0.119 0.000 0.933 318 K CB -0.148 32.266 32.500 -0.144 0.000 0.714 318 K HN 0.212 nan 8.250 nan 0.000 0.438 319 L N 0.084 121.330 121.223 0.038 0.000 2.129 319 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 319 L C 2.440 179.400 176.870 0.150 0.000 1.087 319 L CA 1.238 56.167 54.840 0.148 0.000 0.757 319 L CB -0.475 41.701 42.059 0.195 0.000 0.896 319 L HN 0.276 nan 8.230 nan 0.000 0.434 320 Y N 0.545 120.846 120.300 0.003 0.000 2.176 320 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 320 Y C 2.444 178.337 175.900 -0.011 0.000 1.122 320 Y CA 1.541 59.649 58.100 0.014 0.000 1.128 320 Y CB 0.015 38.484 38.460 0.016 0.000 1.005 320 Y HN 0.128 nan 8.280 nan 0.000 0.509 321 E N -1.634 118.460 120.200 -0.178 0.000 2.216 321 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 321 E C 1.678 178.133 176.600 -0.242 0.000 0.973 321 E CA 1.212 57.435 56.400 -0.295 0.000 0.851 321 E CB 0.295 29.899 29.700 -0.159 0.000 0.804 321 E HN 0.374 nan 8.360 nan 0.000 0.477 322 T N -0.486 113.924 114.554 -0.241 0.000 3.044 322 T HA 0.019 4.369 4.350 -0.000 0.000 0.237 322 T C 1.452 176.037 174.700 -0.190 0.000 1.001 322 T CA 0.386 62.320 62.100 -0.277 0.000 1.160 322 T CB -0.061 68.545 68.868 -0.437 0.000 0.889 322 T HN 0.112 nan 8.240 nan 0.000 0.442 323 H N 1.639 120.658 119.070 -0.086 0.000 2.482 323 H HA 0.259 4.815 4.556 -0.000 0.000 0.286 323 H C 0.783 176.048 175.328 -0.105 0.000 1.017 323 H CA 0.512 56.499 56.048 -0.101 0.000 1.322 323 H CB -0.016 29.677 29.762 -0.116 0.000 1.426 323 H HN 0.375 nan 8.280 nan 0.000 0.546 324 K N 0.021 120.428 120.400 0.013 0.000 3.160 324 K HA -0.172 4.148 4.320 -0.000 0.000 0.280 324 K C 0.808 177.430 176.600 0.037 0.000 1.154 324 K CA 0.377 56.656 56.287 -0.014 0.000 0.822 324 K CB -1.693 30.777 32.500 -0.050 0.000 1.239 324 K HN 0.242 nan 8.250 nan 0.000 0.489 325 L N 0.055 121.310 121.223 0.053 0.000 2.307 325 L HA 0.168 4.508 4.340 -0.000 0.000 0.211 325 L C 1.507 178.514 176.870 0.228 0.000 1.099 325 L CA 0.541 55.413 54.840 0.053 0.000 0.816 325 L CB -0.156 41.822 42.059 -0.135 0.000 0.952 325 L HN 0.348 nan 8.230 nan 0.000 0.455 326 I N -3.800 116.918 120.570 0.247 0.000 3.264 326 I HA 0.562 4.732 4.170 -0.000 0.000 0.309 326 I C 0.166 176.485 176.117 0.335 0.000 1.099 326 I CA -0.699 60.750 61.300 0.248 0.000 0.989 326 I CB 1.955 40.072 38.000 0.195 0.000 1.250 326 I HN -0.171 nan 8.210 nan 0.000 0.478 327 T N -1.120 113.585 114.554 0.251 0.000 2.937 327 T HA 0.342 4.692 4.350 -0.000 0.000 0.283 327 T C -0.351 174.249 174.700 -0.165 0.000 1.012 327 T CA -0.398 61.852 62.100 0.250 0.000 0.997 327 T CB 0.689 69.730 68.868 0.288 0.000 1.136 327 T HN 0.592 nan 8.240 nan 0.000 0.551 328 Y N 3.707 123.653 120.300 -0.589 0.000 2.863 328 Y HA 0.140 4.690 4.550 -0.000 0.000 0.359 328 Y C -1.568 173.978 175.900 -0.589 0.000 1.312 328 Y CA -1.649 55.847 58.100 -1.006 0.000 1.650 328 Y CB 0.342 38.483 38.460 -0.531 0.000 1.201 328 Y HN 0.427 nan 8.280 nan 0.000 0.531 329 P HA 0.034 nan 4.420 nan 0.000 0.255 329 P C 0.275 177.183 177.300 -0.652 0.000 1.248 329 P CA 0.751 63.506 63.100 -0.575 0.000 0.807 329 P CB 0.330 31.810 31.700 -0.367 0.000 1.150 330 R N -0.218 119.597 120.500 -1.143 0.000 2.320 330 R HA 0.184 4.524 4.340 -0.000 0.000 0.211 330 R C 1.026 176.941 176.300 -0.642 0.000 0.931 330 R CA -0.040 55.569 56.100 -0.817 0.000 1.071 330 R CB -0.127 29.720 30.300 -0.754 0.000 1.025 330 R HN 0.066 nan 8.270 nan 0.000 0.495 331 S N 1.696 117.035 115.700 -0.602 0.000 2.562 331 S HA -0.024 4.446 4.470 -0.000 0.000 0.281 331 S C 0.617 175.158 174.600 -0.098 0.000 1.333 331 S CA -0.508 57.529 58.200 -0.272 0.000 1.052 331 S CB 0.716 63.892 63.200 -0.039 0.000 0.884 331 S HN 0.375 nan 8.310 nan 0.000 0.506 332 D N 2.243 122.673 120.400 0.050 0.000 2.440 332 D HA 0.097 4.737 4.640 -0.000 0.000 0.216 332 D C 0.353 176.734 176.300 0.134 0.000 1.150 332 D CA -0.319 53.728 54.000 0.079 0.000 0.832 332 D CB -0.780 40.068 40.800 0.081 0.000 0.992 332 D HN 0.302 nan 8.370 nan 0.000 0.502 333 C N 0.910 120.326 119.300 0.193 0.000 2.401 333 C HA 0.507 4.967 4.460 -0.000 0.000 0.365 333 C C 1.188 176.217 174.990 0.066 0.000 1.250 333 C CA -0.586 58.518 59.018 0.143 0.000 2.131 333 C CB 0.275 28.093 27.740 0.129 0.000 2.445 333 C HN 0.273 nan 8.230 nan 0.000 0.550 334 R N 2.571 123.068 120.500 -0.005 0.000 2.509 334 R HA 0.200 4.540 4.340 -0.000 0.000 0.300 334 R C -0.921 175.071 176.300 -0.512 0.000 0.985 334 R CA 0.074 56.029 56.100 -0.243 0.000 1.092 334 R CB 0.302 30.396 30.300 -0.343 0.000 1.237 334 R HN 0.699 nan 8.270 nan 0.000 0.546 335 Y N 0.032 120.274 120.300 -0.097 0.000 2.650 335 Y HA 0.564 5.114 4.550 -0.000 0.000 0.331 335 Y C 0.182 175.993 175.900 -0.150 0.000 1.082 335 Y CA -0.970 57.033 58.100 -0.161 0.000 1.171 335 Y CB 1.418 39.800 38.460 -0.131 0.000 1.326 335 Y HN -0.235 nan 8.280 nan 0.000 0.513 336 L N 1.862 123.054 121.223 -0.052 0.000 2.393 336 L HA 0.553 4.893 4.340 -0.000 0.000 0.260 336 L C -2.760 174.086 176.870 -0.040 0.000 1.002 336 L CA -2.306 52.433 54.840 -0.168 0.000 0.818 336 L CB 2.684 44.545 42.059 -0.329 0.000 1.369 336 L HN 0.312 nan 8.230 nan 0.000 0.412 337 P HA 0.171 nan 4.420 nan 0.000 0.278 337 P C -0.144 177.299 177.300 0.238 0.000 1.238 337 P CA -0.317 62.798 63.100 0.024 0.000 0.794 337 P CB 0.768 32.450 31.700 -0.030 0.000 0.955 338 E N 0.971 121.305 120.200 0.224 0.000 2.110 338 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 338 E C 1.604 178.349 176.600 0.242 0.000 0.988 338 E CA 1.125 57.672 56.400 0.245 0.000 0.804 338 E CB -0.077 29.700 29.700 0.128 0.000 0.745 338 E HN 0.632 nan 8.360 nan 0.000 0.458 339 E N 0.255 120.594 120.200 0.231 0.000 2.160 339 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 339 E C 1.589 178.345 176.600 0.260 0.000 0.991 339 E CA 1.046 57.575 56.400 0.216 0.000 0.810 339 E CB 0.024 29.843 29.700 0.198 0.000 0.742 339 E HN 0.326 nan 8.360 nan 0.000 0.466 340 H N -1.126 118.054 119.070 0.183 0.000 2.489 340 H HA -0.100 4.456 4.556 -0.000 0.000 0.293 340 H C 1.355 176.763 175.328 0.133 0.000 1.066 340 H CA 1.279 57.461 56.048 0.224 0.000 1.305 340 H CB -0.289 29.691 29.762 0.363 0.000 1.386 340 H HN 0.248 nan 8.280 nan 0.000 0.551 341 F N 1.081 120.959 119.950 -0.120 0.000 2.095 341 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 341 F C 2.435 178.034 175.800 -0.335 0.000 1.104 341 F CA 1.278 58.899 58.000 -0.631 0.000 1.232 341 F CB -0.583 37.953 39.000 -0.775 0.000 0.987 341 F HN 0.153 nan 8.300 nan 0.000 0.475 342 A N -0.292 122.423 122.820 -0.174 0.000 2.070 342 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 342 A C 2.232 179.689 177.584 -0.211 0.000 1.159 342 A CA 1.414 53.333 52.037 -0.197 0.000 0.656 342 A CB -1.587 17.393 19.000 -0.034 0.000 0.800 342 A HN 0.477 nan 8.150 nan 0.000 0.453 343 G N -0.352 108.350 108.800 -0.164 0.000 3.233 343 G HA2 0.112 4.071 3.960 -0.000 0.000 0.227 343 G HA3 0.112 4.071 3.960 -0.000 0.000 0.227 343 G C 1.324 176.155 174.900 -0.115 0.000 1.175 343 G CA 0.394 45.428 45.100 -0.110 0.000 0.781 343 G HN 0.719 nan 8.290 nan 0.000 0.542 344 R N -0.294 120.036 120.500 -0.284 0.000 2.115 344 R HA -0.069 4.271 4.340 -0.000 0.000 0.230 344 R C 1.652 177.798 176.300 -0.257 0.000 1.111 344 R CA 1.147 57.118 56.100 -0.214 0.000 0.976 344 R CB -0.757 29.266 30.300 -0.463 0.000 0.870 344 R HN 0.338 nan 8.270 nan 0.000 0.445 345 H N 1.309 120.291 119.070 -0.147 0.000 2.353 345 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 345 H C 2.260 177.558 175.328 -0.051 0.000 1.090 345 H CA 1.703 57.682 56.048 -0.116 0.000 1.327 345 H CB -0.290 29.396 29.762 -0.126 0.000 1.383 345 H HN 0.460 nan 8.280 nan 0.000 0.508 346 A N 0.922 123.779 122.820 0.063 0.000 1.969 346 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 346 A C 2.800 180.408 177.584 0.040 0.000 1.169 346 A CA 1.306 53.368 52.037 0.042 0.000 0.635 346 A CB -0.667 18.348 19.000 0.025 0.000 0.810 346 A HN 0.217 nan 8.150 nan 0.000 0.445 347 V N -0.311 119.623 119.914 0.033 0.000 2.453 347 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 347 V C 2.561 178.686 176.094 0.052 0.000 1.048 347 V CA 2.031 64.335 62.300 0.008 0.000 1.049 347 V CB -0.657 31.094 31.823 -0.121 0.000 0.672 347 V HN 0.563 nan 8.190 nan 0.000 0.457 348 M N 0.169 119.823 119.600 0.091 0.000 2.200 348 M HA -0.133 4.347 4.480 -0.000 0.000 0.265 348 M C 2.192 178.536 176.300 0.073 0.000 1.066 348 M CA 1.944 57.307 55.300 0.105 0.000 1.127 348 M CB -0.616 32.027 32.600 0.072 0.000 1.379 348 M HN 0.453 nan 8.290 nan 0.000 0.420 349 N N 0.875 119.605 118.700 0.051 0.000 2.061 349 N HA -0.173 4.567 4.740 -0.000 0.000 0.193 349 N C 1.534 177.051 175.510 0.013 0.000 1.030 349 N CA 2.185 55.250 53.050 0.025 0.000 0.856 349 N CB -0.060 38.437 38.487 0.016 0.000 1.023 349 N HN 0.311 nan 8.380 nan 0.000 0.424 350 A N 0.279 123.126 122.820 0.045 0.000 1.898 350 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 350 A C 2.312 179.963 177.584 0.111 0.000 1.181 350 A CA 1.098 53.170 52.037 0.059 0.000 0.620 350 A CB -0.767 18.340 19.000 0.177 0.000 0.819 350 A HN 0.409 nan 8.150 nan 0.000 0.442 351 I N 0.923 121.605 120.570 0.186 0.000 2.151 351 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 351 I C 2.832 179.041 176.117 0.155 0.000 1.080 351 I CA 1.865 63.318 61.300 0.255 0.000 1.339 351 I CB -0.228 37.893 38.000 0.201 0.000 1.039 351 I HN 0.519 nan 8.210 nan 0.000 0.409 352 S N -0.217 115.523 115.700 0.068 0.000 2.474 352 S HA -0.058 4.412 4.470 -0.000 0.000 0.235 352 S C 1.826 176.401 174.600 -0.043 0.000 0.997 352 S CA 0.803 59.020 58.200 0.028 0.000 0.949 352 S CB -0.540 62.671 63.200 0.019 0.000 0.766 352 S HN 0.251 nan 8.310 nan 0.000 0.517 353 V N 2.041 121.864 119.914 -0.150 0.000 2.273 353 V HA -0.071 4.049 4.120 -0.000 0.000 0.242 353 V C 2.584 178.495 176.094 -0.305 0.000 1.035 353 V CA 1.657 63.772 62.300 -0.308 0.000 1.013 353 V CB -0.818 30.650 31.823 -0.592 0.000 0.652 353 V HN 0.606 nan 8.190 nan 0.000 0.452 354 H N 0.113 119.160 119.070 -0.038 0.000 2.512 354 H HA 0.364 4.920 4.556 -0.000 0.000 0.279 354 H C 1.099 176.392 175.328 -0.058 0.000 0.999 354 H CA 1.042 56.988 56.048 -0.171 0.000 1.283 354 H CB 0.186 29.645 29.762 -0.505 0.000 1.421 354 H HN 0.448 nan 8.280 nan 0.000 0.554 355 A N 2.282 125.231 122.820 0.215 0.000 3.159 355 A HA 0.300 4.620 4.320 -0.000 0.000 0.330 355 A C -1.679 175.985 177.584 0.132 0.000 1.032 355 A CA -1.169 51.000 52.037 0.220 0.000 0.841 355 A CB 0.634 19.853 19.000 0.366 0.000 1.093 355 A HN -0.031 nan 8.150 nan 0.000 0.478 356 P HA -0.180 nan 4.420 nan 0.000 0.217 356 P C 0.403 177.737 177.300 0.057 0.000 1.148 356 P CA 1.249 64.376 63.100 0.045 0.000 0.828 356 P CB 0.301 32.012 31.700 0.019 0.000 0.783 357 D N -0.596 119.845 120.400 0.068 0.000 2.312 357 D HA -0.018 4.622 4.640 -0.000 0.000 0.211 357 D C 2.090 178.438 176.300 0.080 0.000 0.964 357 D CA 0.571 54.612 54.000 0.068 0.000 0.877 357 D CB -0.401 40.440 40.800 0.068 0.000 0.924 357 D HN 0.246 nan 8.370 nan 0.000 0.515 358 L N -0.332 120.951 121.223 0.101 0.000 2.141 358 L HA -0.002 4.338 4.340 -0.000 0.000 0.209 358 L C 0.917 177.845 176.870 0.097 0.000 1.094 358 L CA 0.767 55.673 54.840 0.110 0.000 0.763 358 L CB -0.023 42.119 42.059 0.138 0.000 0.908 358 L HN -0.067 nan 8.230 nan 0.000 0.437 359 L N -0.775 120.498 121.223 0.084 0.000 2.354 359 L HA 0.454 4.794 4.340 -0.000 0.000 0.264 359 L C -2.212 174.687 176.870 0.049 0.000 1.008 359 L CA -1.966 52.916 54.840 0.069 0.000 0.819 359 L CB 1.756 43.858 42.059 0.072 0.000 1.339 359 L HN -0.178 nan 8.230 nan 0.000 0.420 360 P HA 0.239 nan 4.420 nan 0.000 0.276 360 P C -1.564 175.766 177.300 0.049 0.000 1.252 360 P CA -0.495 62.630 63.100 0.041 0.000 0.802 360 P CB 1.297 33.014 31.700 0.028 0.000 1.035 361 Q N 1.028 120.861 119.800 0.054 0.000 2.309 361 Q HA 0.330 4.670 4.340 -0.000 0.000 0.254 361 Q C -2.335 173.698 176.000 0.056 0.000 0.938 361 Q CA -1.713 54.126 55.803 0.059 0.000 0.789 361 Q CB 1.444 30.229 28.738 0.079 0.000 1.313 361 Q HN 0.057 nan 8.270 nan 0.000 0.438 362 P HA -0.186 nan 4.420 nan 0.000 0.216 362 P C 1.151 178.482 177.300 0.052 0.000 1.153 362 P CA 1.706 64.830 63.100 0.040 0.000 0.858 362 P CB 0.025 31.743 31.700 0.030 0.000 0.789 363 V N -3.303 116.646 119.914 0.058 0.000 2.759 363 V HA -0.044 4.076 4.120 -0.000 0.000 0.256 363 V C 0.987 177.144 176.094 0.104 0.000 1.080 363 V CA 0.711 63.054 62.300 0.072 0.000 1.101 363 V CB -1.322 30.541 31.823 0.066 0.000 0.698 363 V HN -0.177 nan 8.190 nan 0.000 0.477 364 V N 3.146 123.127 119.914 0.112 0.000 2.421 364 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 364 V C -0.079 176.089 176.094 0.123 0.000 1.031 364 V CA 0.506 62.897 62.300 0.151 0.000 1.032 364 V CB 0.269 32.180 31.823 0.147 0.000 1.009 364 V HN 0.598 nan 8.190 nan 0.000 0.477 365 D N 7.622 128.122 120.400 0.167 0.000 2.461 365 D HA 0.393 5.033 4.640 -0.000 0.000 0.240 365 D C -1.899 174.490 176.300 0.148 0.000 1.094 365 D CA -2.263 51.815 54.000 0.129 0.000 0.868 365 D CB 2.284 43.163 40.800 0.131 0.000 1.062 365 D HN 0.204 nan 8.370 nan 0.000 0.530 366 P HA 0.035 nan 4.420 nan 0.000 0.239 366 P C 0.581 177.904 177.300 0.038 0.000 1.184 366 P CA 0.350 63.351 63.100 -0.164 0.000 0.760 366 P CB 0.467 32.047 31.700 -0.200 0.000 0.884 367 D N -0.722 119.757 120.400 0.132 0.000 2.348 367 D HA 0.071 4.711 4.640 -0.000 0.000 0.211 367 D C 0.700 177.153 176.300 0.255 0.000 0.998 367 D CA 0.187 54.297 54.000 0.184 0.000 0.873 367 D CB 0.135 41.006 40.800 0.119 0.000 0.925 367 D HN 0.215 nan 8.370 nan 0.000 0.524 368 I N 1.814 122.562 120.570 0.296 0.000 2.494 368 I HA 0.020 4.190 4.170 -0.000 0.000 0.289 368 I C 0.784 177.105 176.117 0.339 0.000 1.106 368 I CA 0.080 61.541 61.300 0.269 0.000 1.369 368 I CB 0.508 38.652 38.000 0.240 0.000 1.410 368 I HN -0.343 nan 8.210 nan 0.000 0.523 369 R N 7.058 127.625 120.500 0.112 0.000 2.215 369 R HA 0.202 4.542 4.340 -0.000 0.000 0.337 369 R C -0.071 176.242 176.300 0.022 0.000 1.010 369 R CA -0.549 55.467 56.100 -0.140 0.000 0.871 369 R CB 0.407 30.310 30.300 -0.662 0.000 1.134 369 R HN 0.733 nan 8.270 nan 0.000 0.477 370 N N 3.362 122.185 118.700 0.205 0.000 2.593 370 N HA 0.060 4.800 4.740 -0.000 0.000 0.304 370 N C 0.656 176.230 175.510 0.107 0.000 1.296 370 N CA -0.451 52.660 53.050 0.100 0.000 0.950 370 N CB 0.285 38.767 38.487 -0.008 0.000 1.127 370 N HN 0.586 nan 8.380 nan 0.000 0.587 371 R N -0.883 119.616 120.500 -0.001 0.000 2.235 371 R HA -0.010 4.330 4.340 -0.000 0.000 0.213 371 R C 1.746 178.069 176.300 0.038 0.000 1.059 371 R CA 1.304 57.417 56.100 0.023 0.000 0.997 371 R CB -1.185 29.128 30.300 0.021 0.000 0.884 371 R HN 0.646 nan 8.270 nan 0.000 0.462 372 C N -0.364 118.818 119.300 -0.196 0.000 2.437 372 C HA 0.122 4.582 4.460 -0.000 0.000 0.283 372 C C 0.266 175.044 174.990 -0.353 0.000 1.424 372 C CA -1.190 57.604 59.018 -0.373 0.000 1.782 372 C CB -1.377 25.881 27.740 -0.804 0.000 1.833 372 C HN 0.541 nan 8.230 nan 0.000 0.532 373 W N 2.022 123.333 121.300 0.017 0.000 2.288 373 W HA 0.584 5.244 4.660 -0.000 0.000 0.325 373 W C -0.117 176.389 176.519 -0.022 0.000 1.019 373 W CA -0.521 56.824 57.345 0.000 0.000 1.403 373 W CB 0.115 29.544 29.460 -0.052 0.000 1.226 373 W HN 0.153 nan 8.180 nan 0.000 0.391 374 D N 2.396 122.877 120.400 0.135 0.000 2.354 374 D HA 0.015 4.655 4.640 -0.000 0.000 0.230 374 D C 0.259 176.540 176.300 -0.032 0.000 1.361 374 D CA -0.167 53.834 54.000 0.001 0.000 0.992 374 D CB 1.149 41.861 40.800 -0.146 0.000 1.409 374 D HN 0.253 nan 8.370 nan 0.000 0.573 375 D N 1.847 122.241 120.400 -0.009 0.000 2.350 375 D HA -0.070 4.570 4.640 -0.000 0.000 0.216 375 D C 1.338 177.604 176.300 -0.057 0.000 0.968 375 D CA 0.645 54.636 54.000 -0.015 0.000 0.894 375 D CB 0.592 41.395 40.800 0.004 0.000 0.909 375 D HN 0.425 nan 8.370 nan 0.000 0.520 376 K N 0.251 120.594 120.400 -0.094 0.000 2.365 376 K HA 0.040 4.360 4.320 -0.000 0.000 0.197 376 K C 1.526 178.031 176.600 -0.159 0.000 1.042 376 K CA 0.567 56.785 56.287 -0.115 0.000 0.987 376 K CB 0.404 32.833 32.500 -0.118 0.000 0.779 376 K HN 0.002 nan 8.250 nan 0.000 0.484 377 K N 0.593 120.862 120.400 -0.220 0.000 2.374 377 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 377 K C -0.031 176.496 176.600 -0.122 0.000 1.040 377 K CA -0.063 56.055 56.287 -0.281 0.000 1.085 377 K CB 1.227 33.284 32.500 -0.740 0.000 0.873 377 K HN -0.052 nan 8.250 nan 0.000 0.539 378 V N -0.419 119.454 119.914 -0.068 0.000 2.509 378 V HA 0.284 4.404 4.120 -0.000 0.000 0.284 378 V C 0.044 176.088 176.094 -0.083 0.000 1.047 378 V CA -0.901 61.380 62.300 -0.032 0.000 0.952 378 V CB 1.390 33.221 31.823 0.014 0.000 0.988 378 V HN -0.020 nan 8.190 nan 0.000 0.469 379 D N 3.454 123.750 120.400 -0.173 0.000 2.430 379 D HA 0.380 5.020 4.640 -0.000 0.000 0.285 379 D C 1.589 177.811 176.300 -0.130 0.000 1.210 379 D CA 0.188 54.062 54.000 -0.210 0.000 1.080 379 D CB 0.957 41.520 40.800 -0.394 0.000 1.134 379 D HN 0.700 nan 8.370 nan 0.000 0.562 380 A N -0.291 122.492 122.820 -0.061 0.000 2.084 380 A HA -0.140 4.180 4.320 -0.000 0.000 0.221 380 A C 0.958 178.592 177.584 0.083 0.000 1.161 380 A CA 1.455 53.538 52.037 0.077 0.000 0.653 380 A CB -0.842 18.264 19.000 0.175 0.000 0.802 380 A HN 0.613 nan 8.150 nan 0.000 0.457 381 H N -2.580 116.530 119.070 0.067 0.000 2.834 381 H HA 0.696 5.251 4.556 -0.000 0.000 0.369 381 H C -0.629 174.741 175.328 0.071 0.000 1.174 381 H CA -0.208 55.857 56.048 0.028 0.000 1.165 381 H CB 1.029 30.837 29.762 0.077 0.000 1.820 381 H HN 0.530 nan 8.280 nan 0.000 0.558 382 H N -0.140 119.044 119.070 0.189 0.000 2.960 382 H HA 0.690 5.246 4.556 -0.000 0.000 0.303 382 H C -0.787 174.601 175.328 0.100 0.000 1.412 382 H CA -0.710 55.383 56.048 0.074 0.000 1.227 382 H CB 0.527 30.276 29.762 -0.022 0.000 1.912 382 H HN 0.899 nan 8.280 nan 0.000 0.583 383 A N 0.584 123.579 122.820 0.292 0.000 2.466 383 A HA 0.299 4.619 4.320 -0.000 0.000 0.238 383 A C 0.141 177.850 177.584 0.209 0.000 1.074 383 A CA -0.382 51.750 52.037 0.160 0.000 0.774 383 A CB -0.601 18.410 19.000 0.019 0.000 1.015 383 A HN 0.579 nan 8.150 nan 0.000 0.498 384 I N 2.582 123.214 120.570 0.104 0.000 2.494 384 I HA 0.228 4.397 4.170 -0.000 0.000 0.289 384 I C 0.236 176.432 176.117 0.131 0.000 1.106 384 I CA 0.548 61.899 61.300 0.085 0.000 1.369 384 I CB -0.546 37.476 38.000 0.038 0.000 1.410 384 I HN 0.572 nan 8.210 nan 0.000 0.523 385 I N 4.985 125.647 120.570 0.153 0.000 3.174 385 I HA 0.714 4.884 4.170 -0.000 0.000 0.313 385 I C -2.912 173.228 176.117 0.038 0.000 1.155 385 I CA -2.902 58.453 61.300 0.092 0.000 0.977 385 I CB 2.027 40.109 38.000 0.138 0.000 1.248 385 I HN 0.119 nan 8.210 nan 0.000 0.453 386 P HA 0.218 nan 4.420 nan 0.000 0.274 386 P C -0.482 176.835 177.300 0.028 0.000 1.231 386 P CA -0.133 62.951 63.100 -0.025 0.000 0.790 386 P CB 0.763 32.397 31.700 -0.111 0.000 0.951 387 T N -1.900 112.727 114.554 0.123 0.000 2.810 387 T HA 0.505 4.855 4.350 -0.000 0.000 0.277 387 T C 0.913 175.675 174.700 0.103 0.000 0.973 387 T CA -0.434 61.735 62.100 0.115 0.000 0.949 387 T CB 0.503 69.449 68.868 0.131 0.000 1.075 387 T HN 0.271 nan 8.240 nan 0.000 0.537 388 A N -0.231 122.639 122.820 0.083 0.000 2.337 388 A HA 0.284 4.603 4.320 -0.000 0.000 0.227 388 A C 1.096 178.738 177.584 0.097 0.000 1.259 388 A CA -0.425 51.658 52.037 0.077 0.000 0.870 388 A CB -0.549 18.476 19.000 0.043 0.000 0.927 388 A HN 0.735 nan 8.150 nan 0.000 0.497 389 R N 0.853 121.428 120.500 0.125 0.000 2.449 389 R HA 0.181 4.521 4.340 -0.000 0.000 0.296 389 R C 0.639 177.097 176.300 0.263 0.000 1.047 389 R CA 0.768 56.951 56.100 0.138 0.000 1.018 389 R CB 0.412 30.767 30.300 0.092 0.000 0.962 389 R HN 0.402 nan 8.270 nan 0.000 0.428 390 S N 0.426 116.216 115.700 0.150 0.000 2.603 390 S HA 0.096 4.566 4.470 -0.000 0.000 0.232 390 S C -0.069 174.548 174.600 0.027 0.000 1.016 390 S CA -0.599 57.634 58.200 0.055 0.000 0.976 390 S CB 0.684 63.877 63.200 -0.010 0.000 0.921 390 S HN 0.412 nan 8.310 nan 0.000 0.516 391 S N 2.810 118.568 115.700 0.097 0.000 2.533 391 S HA 0.585 5.055 4.470 -0.000 0.000 0.282 391 S C 0.517 175.181 174.600 0.105 0.000 1.304 391 S CA -0.351 57.886 58.200 0.061 0.000 1.063 391 S CB 0.719 63.945 63.200 0.043 0.000 0.881 391 S HN 0.709 nan 8.310 nan 0.000 0.493 392 A N 3.604 126.441 122.820 0.028 0.000 2.488 392 A HA 0.499 4.819 4.320 -0.000 0.000 0.249 392 A C -0.062 177.527 177.584 0.008 0.000 1.083 392 A CA -0.057 51.990 52.037 0.017 0.000 0.768 392 A CB -0.338 18.647 19.000 -0.025 0.000 1.017 392 A HN 0.796 nan 8.150 nan 0.000 0.496 393 I N 1.853 122.416 120.570 -0.011 0.000 2.686 393 I HA 0.208 4.378 4.170 -0.000 0.000 0.295 393 I C -0.369 175.658 176.117 -0.149 0.000 1.114 393 I CA -0.721 60.511 61.300 -0.113 0.000 1.038 393 I CB 2.264 40.125 38.000 -0.233 0.000 1.238 393 I HN 0.613 nan 8.210 nan 0.000 0.420 394 N N 6.083 124.692 118.700 -0.151 0.000 2.406 394 N HA 0.384 5.124 4.740 -0.000 0.000 0.251 394 N C -1.119 174.273 175.510 -0.197 0.000 1.069 394 N CA -0.018 52.952 53.050 -0.133 0.000 0.947 394 N CB 0.383 38.824 38.487 -0.078 0.000 1.111 394 N HN 0.404 nan 8.380 nan 0.000 0.497 395 L N 1.717 122.828 121.223 -0.187 0.000 2.334 395 L HA 0.379 4.719 4.340 -0.000 0.000 0.277 395 L C 1.332 178.149 176.870 -0.087 0.000 1.075 395 L CA -0.872 53.861 54.840 -0.178 0.000 0.804 395 L CB 1.128 43.076 42.059 -0.185 0.000 1.174 395 L HN 0.471 nan 8.230 nan 0.000 0.438 396 T N -2.520 112.004 114.554 -0.049 0.000 2.766 396 T HA 0.021 4.371 4.350 -0.000 0.000 0.295 396 T C 0.960 175.632 174.700 -0.047 0.000 1.024 396 T CA -0.454 61.626 62.100 -0.034 0.000 1.018 396 T CB 1.158 70.017 68.868 -0.014 0.000 1.002 396 T HN 0.735 nan 8.240 nan 0.000 0.532 397 E N 0.682 120.853 120.200 -0.049 0.000 2.049 397 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 397 E C 1.801 178.341 176.600 -0.101 0.000 1.007 397 E CA 1.569 57.928 56.400 -0.068 0.000 0.809 397 E CB -0.134 29.530 29.700 -0.060 0.000 0.749 397 E HN 0.614 nan 8.360 nan 0.000 0.450 398 N N 0.575 119.221 118.700 -0.090 0.000 2.331 398 N HA -0.114 4.626 4.740 -0.000 0.000 0.180 398 N C 1.463 176.926 175.510 -0.079 0.000 1.019 398 N CA 0.785 53.768 53.050 -0.112 0.000 0.881 398 N CB -0.144 38.298 38.487 -0.075 0.000 0.972 398 N HN 0.298 nan 8.380 nan 0.000 0.435 399 E N 0.501 120.680 120.200 -0.035 0.000 2.150 399 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 399 E C 1.767 178.379 176.600 0.019 0.000 0.985 399 E CA 0.914 57.319 56.400 0.008 0.000 0.814 399 E CB 0.021 29.736 29.700 0.025 0.000 0.752 399 E HN 0.355 nan 8.360 nan 0.000 0.466 400 A N 1.539 124.345 122.820 -0.023 0.000 1.872 400 A HA -0.155 4.164 4.320 -0.000 0.000 0.214 400 A C 1.919 179.514 177.584 0.018 0.000 1.187 400 A CA 1.096 53.139 52.037 0.010 0.000 0.614 400 A CB -0.156 18.828 19.000 -0.027 0.000 0.826 400 A HN 0.010 nan 8.150 nan 0.000 0.442 401 K N -0.275 120.040 120.400 -0.140 0.000 2.032 401 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 401 K C 1.887 178.426 176.600 -0.101 0.000 1.048 401 K CA 1.622 57.715 56.287 -0.323 0.000 0.927 401 K CB -0.451 31.518 32.500 -0.886 0.000 0.712 401 K HN 0.293 nan 8.250 nan 0.000 0.441 402 V N 0.491 120.379 119.914 -0.043 0.000 2.358 402 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 402 V C 2.055 178.214 176.094 0.107 0.000 1.047 402 V CA 1.657 63.983 62.300 0.044 0.000 1.035 402 V CB -0.539 31.299 31.823 0.026 0.000 0.658 402 V HN 0.281 nan 8.190 nan 0.000 0.452 403 Y N 1.201 121.517 120.300 0.026 0.000 2.181 403 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 403 Y C 2.603 178.561 175.900 0.098 0.000 1.146 403 Y CA 1.997 60.130 58.100 0.056 0.000 1.164 403 Y CB -0.385 38.093 38.460 0.029 0.000 0.982 403 Y HN 0.238 nan 8.280 nan 0.000 0.515 404 N N 0.450 119.273 118.700 0.205 0.000 2.036 404 N HA -0.249 4.491 4.740 -0.000 0.000 0.195 404 N C 1.933 177.521 175.510 0.130 0.000 1.037 404 N CA 2.074 55.220 53.050 0.159 0.000 0.855 404 N CB -0.481 38.114 38.487 0.181 0.000 1.033 404 N HN 0.399 nan 8.380 nan 0.000 0.423 405 L N 1.042 122.383 121.223 0.197 0.000 1.990 405 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 405 L C 2.407 179.489 176.870 0.354 0.000 1.072 405 L CA 1.199 56.221 54.840 0.304 0.000 0.755 405 L CB -0.488 41.748 42.059 0.295 0.000 0.889 405 L HN 0.177 nan 8.230 nan 0.000 0.432 406 I N -0.362 120.341 120.570 0.222 0.000 2.091 406 I HA -0.352 3.818 4.170 -0.000 0.000 0.239 406 I C 2.816 178.945 176.117 0.019 0.000 1.061 406 I CA 1.449 62.857 61.300 0.180 0.000 1.317 406 I CB -0.582 37.432 38.000 0.023 0.000 1.031 406 I HN 0.246 nan 8.210 nan 0.000 0.401 407 A N 0.612 123.322 122.820 -0.182 0.000 1.873 407 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 407 A C 2.458 180.092 177.584 0.083 0.000 1.193 407 A CA 2.282 54.241 52.037 -0.130 0.000 0.629 407 A CB -0.843 18.009 19.000 -0.245 0.000 0.826 407 A HN 0.387 nan 8.150 nan 0.000 0.447 408 R N -1.058 119.498 120.500 0.094 0.000 2.091 408 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 408 R C 2.415 178.761 176.300 0.077 0.000 1.136 408 R CA 2.050 58.225 56.100 0.125 0.000 0.959 408 R CB -0.265 30.124 30.300 0.147 0.000 0.856 408 R HN 0.600 nan 8.270 nan 0.000 0.437 409 Q N -0.653 119.144 119.800 -0.005 0.000 2.084 409 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 409 Q C 1.704 177.606 176.000 -0.163 0.000 0.978 409 Q CA 1.829 57.486 55.803 -0.244 0.000 0.844 409 Q CB -0.416 27.881 28.738 -0.735 0.000 0.898 409 Q HN 0.494 nan 8.270 nan 0.000 0.426 410 Y N 0.017 120.231 120.300 -0.143 0.000 2.128 410 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 410 Y C 1.573 177.491 175.900 0.031 0.000 1.154 410 Y CA 1.718 59.776 58.100 -0.071 0.000 1.149 410 Y CB -0.141 38.346 38.460 0.043 0.000 0.976 410 Y HN 0.126 nan 8.280 nan 0.000 0.505 411 L N -0.444 120.913 121.223 0.224 0.000 2.191 411 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 411 L C 2.395 179.348 176.870 0.138 0.000 1.103 411 L CA 1.301 56.305 54.840 0.273 0.000 0.769 411 L CB -0.482 41.738 42.059 0.268 0.000 0.908 411 L HN 0.364 nan 8.230 nan 0.000 0.438 412 M N -0.899 118.707 119.600 0.009 0.000 2.346 412 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 412 M C 1.940 178.131 176.300 -0.181 0.000 1.064 412 M CA 1.268 56.549 55.300 -0.032 0.000 1.083 412 M CB -0.190 32.353 32.600 -0.096 0.000 1.399 412 M HN 0.243 nan 8.290 nan 0.000 0.435 413 Q N -0.572 118.977 119.800 -0.418 0.000 2.436 413 Q HA -0.021 4.319 4.340 -0.000 0.000 0.209 413 Q C 0.731 176.396 176.000 -0.557 0.000 0.965 413 Q CA 1.079 56.513 55.803 -0.615 0.000 0.910 413 Q CB -0.157 28.030 28.738 -0.919 0.000 0.980 413 Q HN 0.533 nan 8.270 nan 0.000 0.491 414 F N -1.147 118.817 119.950 0.024 0.000 2.647 414 F HA 0.197 4.724 4.527 -0.000 0.000 0.300 414 F C 0.328 176.177 175.800 0.082 0.000 1.106 414 F CA -0.722 57.325 58.000 0.078 0.000 1.313 414 F CB 0.331 39.368 39.000 0.061 0.000 1.007 414 F HN -0.173 nan 8.300 nan 0.000 0.536 415 C N 1.597 121.001 119.300 0.172 0.000 2.382 415 C HA 0.543 5.003 4.460 -0.000 0.000 0.327 415 C C -1.856 173.233 174.990 0.166 0.000 1.250 415 C CA -1.684 57.442 59.018 0.181 0.000 1.707 415 C CB 1.301 29.174 27.740 0.222 0.000 2.272 415 C HN 0.092 nan 8.230 nan 0.000 0.506 416 P HA 0.074 nan 4.420 nan 0.000 0.269 416 P C -0.292 177.134 177.300 0.210 0.000 1.211 416 P CA 0.127 63.310 63.100 0.139 0.000 0.781 416 P CB 0.410 32.171 31.700 0.100 0.000 0.877 417 D N -0.516 119.996 120.400 0.187 0.000 2.406 417 D HA 0.153 4.793 4.640 -0.000 0.000 0.234 417 D C 0.366 176.816 176.300 0.249 0.000 1.196 417 D CA 0.516 54.675 54.000 0.264 0.000 0.881 417 D CB 0.130 41.034 40.800 0.173 0.000 1.205 417 D HN 0.328 nan 8.370 nan 0.000 0.453 418 A N 0.758 123.762 122.820 0.306 0.000 2.340 418 A HA 0.490 4.810 4.320 -0.000 0.000 0.268 418 A C -0.462 177.148 177.584 0.043 0.000 1.100 418 A CA -0.505 51.529 52.037 -0.006 0.000 0.803 418 A CB 0.718 19.636 19.000 -0.137 0.000 1.043 418 A HN 0.270 nan 8.150 nan 0.000 0.488 419 V N 2.424 122.252 119.914 -0.143 0.000 2.483 419 V HA 0.445 4.565 4.120 -0.000 0.000 0.297 419 V C -1.077 174.917 176.094 -0.167 0.000 1.027 419 V CA -0.208 62.071 62.300 -0.035 0.000 0.855 419 V CB 0.880 32.702 31.823 -0.002 0.000 0.995 419 V HN 0.724 nan 8.190 nan 0.000 0.424 420 F N 3.603 123.567 119.950 0.023 0.000 2.458 420 F HA 0.687 5.214 4.527 -0.000 0.000 0.330 420 F C 0.623 176.444 175.800 0.035 0.000 1.082 420 F CA -0.792 57.225 58.000 0.028 0.000 0.995 420 F CB 1.566 40.579 39.000 0.022 0.000 1.170 420 F HN 0.214 nan 8.300 nan 0.000 0.478 421 R N 2.351 122.989 120.500 0.231 0.000 2.229 421 R HA 0.270 4.610 4.340 -0.000 0.000 0.332 421 R C -0.617 175.779 176.300 0.159 0.000 0.989 421 R CA -0.606 55.582 56.100 0.147 0.000 0.842 421 R CB 1.255 31.612 30.300 0.095 0.000 1.119 421 R HN 0.578 nan 8.270 nan 0.000 0.456 422 K N 2.666 123.118 120.400 0.087 0.000 2.293 422 K HA 0.243 4.563 4.320 -0.000 0.000 0.267 422 K C -0.824 175.753 176.600 -0.039 0.000 1.010 422 K CA -0.376 55.936 56.287 0.041 0.000 0.875 422 K CB 1.125 33.635 32.500 0.017 0.000 1.106 422 K HN 0.592 nan 8.250 nan 0.000 0.450 423 C N 4.298 123.563 119.300 -0.058 0.000 2.358 423 C HA 0.702 5.162 4.460 -0.000 0.000 0.342 423 C C -0.755 174.143 174.990 -0.153 0.000 1.234 423 C CA -0.359 58.559 59.018 -0.167 0.000 1.969 423 C CB 0.461 28.106 27.740 -0.157 0.000 2.346 423 C HN 0.573 nan 8.230 nan 0.000 0.525 424 V N 7.391 127.171 119.914 -0.224 0.000 2.524 424 V HA 0.431 4.551 4.120 -0.000 0.000 0.297 424 V C -0.422 175.598 176.094 -0.123 0.000 1.035 424 V CA -0.150 62.070 62.300 -0.134 0.000 0.867 424 V CB 1.384 33.151 31.823 -0.093 0.000 1.004 424 V HN 0.783 nan 8.190 nan 0.000 0.426 425 I N 3.961 124.504 120.570 -0.046 0.000 2.354 425 I HA 0.475 4.645 4.170 -0.000 0.000 0.292 425 I C 0.173 176.351 176.117 0.101 0.000 0.989 425 I CA -0.287 61.043 61.300 0.051 0.000 1.188 425 I CB 1.651 39.660 38.000 0.015 0.000 1.342 425 I HN 0.554 nan 8.210 nan 0.000 0.457 426 E N 6.743 127.017 120.200 0.122 0.000 2.179 426 E HA 0.705 5.055 4.350 -0.000 0.000 0.275 426 E C -1.277 175.425 176.600 0.170 0.000 0.945 426 E CA -0.737 55.748 56.400 0.141 0.000 0.792 426 E CB 2.456 32.218 29.700 0.103 0.000 1.125 426 E HN 0.380 nan 8.360 nan 0.000 0.397 427 L N 2.164 123.515 121.223 0.212 0.000 2.445 427 L HA 0.368 4.708 4.340 -0.000 0.000 0.262 427 L C -1.080 175.933 176.870 0.239 0.000 0.974 427 L CA -0.848 54.117 54.840 0.207 0.000 0.822 427 L CB 2.223 44.407 42.059 0.208 0.000 1.339 427 L HN 0.361 nan 8.230 nan 0.000 0.409 428 D N 2.752 123.256 120.400 0.174 0.000 2.349 428 D HA 0.577 5.217 4.640 -0.000 0.000 0.232 428 D C -0.764 175.611 176.300 0.124 0.000 1.071 428 D CA 0.131 54.239 54.000 0.180 0.000 0.832 428 D CB 1.431 42.306 40.800 0.124 0.000 1.086 428 D HN 0.231 nan 8.370 nan 0.000 0.504 429 I N 1.691 122.355 120.570 0.158 0.000 2.390 429 I HA 0.415 4.585 4.170 -0.000 0.000 0.283 429 I C 0.509 176.659 176.117 0.056 0.000 1.016 429 I CA -0.967 60.340 61.300 0.013 0.000 1.151 429 I CB 1.627 39.482 38.000 -0.242 0.000 1.293 429 I HN 0.479 nan 8.210 nan 0.000 0.458 430 A N 5.523 128.353 122.820 0.017 0.000 2.791 430 A HA -0.246 4.074 4.320 -0.000 0.000 0.292 430 A C 1.307 178.914 177.584 0.038 0.000 1.487 430 A CA 1.130 53.172 52.037 0.007 0.000 0.760 430 A CB -1.222 17.757 19.000 -0.035 0.000 1.031 430 A HN 0.835 nan 8.150 nan 0.000 0.503 431 K N -4.468 115.975 120.400 0.071 0.000 3.615 431 K HA -0.190 4.129 4.320 -0.000 0.000 0.269 431 K C 0.689 177.376 176.600 0.145 0.000 1.107 431 K CA 2.067 58.409 56.287 0.091 0.000 1.059 431 K CB -2.459 30.079 32.500 0.064 0.000 1.317 431 K HN 2.114 nan 8.250 nan 0.000 0.494 432 G N 1.709 110.623 108.800 0.190 0.000 2.372 432 G HA2 0.436 4.396 3.960 -0.000 0.000 0.283 432 G HA3 0.436 4.396 3.960 -0.000 0.000 0.283 432 G C -0.422 174.721 174.900 0.405 0.000 1.177 432 G CA -0.460 44.815 45.100 0.292 0.000 0.842 432 G HN 0.030 nan 8.290 nan 0.000 0.503 433 K N 1.081 121.680 120.400 0.332 0.000 2.234 433 K HA 0.411 4.731 4.320 -0.000 0.000 0.282 433 K C -1.090 175.637 176.600 0.212 0.000 1.039 433 K CA 0.026 56.480 56.287 0.278 0.000 0.928 433 K CB 1.133 33.718 32.500 0.141 0.000 1.039 433 K HN 0.348 nan 8.250 nan 0.000 0.470 434 F N 0.748 120.831 119.950 0.222 0.000 2.593 434 F HA 0.478 5.005 4.527 -0.000 0.000 0.320 434 F C -0.351 175.543 175.800 0.157 0.000 1.060 434 F CA -0.976 57.156 58.000 0.220 0.000 0.940 434 F CB 1.869 40.995 39.000 0.211 0.000 1.268 434 F HN 0.042 nan 8.300 nan 0.000 0.475 435 V N 1.635 121.740 119.914 0.319 0.000 2.686 435 V HA 0.806 4.926 4.120 -0.000 0.000 0.306 435 V C -0.823 175.395 176.094 0.207 0.000 1.065 435 V CA -0.939 61.483 62.300 0.205 0.000 0.894 435 V CB 1.605 33.491 31.823 0.105 0.000 1.004 435 V HN 0.913 nan 8.190 nan 0.000 0.424 436 A N 5.000 127.921 122.820 0.168 0.000 2.330 436 A HA 0.976 5.296 4.320 -0.000 0.000 0.327 436 A C -0.510 177.089 177.584 0.025 0.000 1.155 436 A CA -0.694 51.416 52.037 0.121 0.000 0.803 436 A CB 1.247 20.311 19.000 0.108 0.000 1.208 436 A HN 0.916 nan 8.150 nan 0.000 0.477 437 K N 0.744 121.161 120.400 0.028 0.000 2.525 437 K HA 0.790 5.110 4.320 -0.000 0.000 0.254 437 K C -1.095 175.528 176.600 0.039 0.000 0.934 437 K CA -0.594 55.697 56.287 0.008 0.000 0.802 437 K CB 2.250 34.758 32.500 0.013 0.000 1.295 437 K HN 1.067 nan 8.250 nan 0.000 0.433 438 A N 2.370 125.218 122.820 0.047 0.000 2.455 438 A HA 0.704 5.024 4.320 -0.000 0.000 0.300 438 A C -1.445 176.261 177.584 0.204 0.000 1.040 438 A CA -0.878 51.251 52.037 0.153 0.000 0.697 438 A CB 1.851 20.943 19.000 0.154 0.000 1.265 438 A HN 0.791 nan 8.150 nan 0.000 0.407 439 R N 1.580 122.248 120.500 0.280 0.000 2.439 439 R HA 0.724 5.064 4.340 -0.000 0.000 0.310 439 R C -2.025 174.508 176.300 0.388 0.000 0.955 439 R CA -0.237 56.025 56.100 0.270 0.000 0.853 439 R CB 0.833 31.189 30.300 0.093 0.000 1.171 439 R HN 0.620 nan 8.270 nan 0.000 0.449 440 F N 3.647 123.693 119.950 0.159 0.000 2.565 440 F HA 0.348 4.875 4.527 -0.000 0.000 0.313 440 F C -0.554 175.279 175.800 0.055 0.000 1.091 440 F CA -1.288 56.779 58.000 0.113 0.000 0.915 440 F CB 1.834 40.856 39.000 0.037 0.000 1.208 440 F HN 0.284 nan 8.300 nan 0.000 0.453 441 L N 3.408 124.612 121.223 -0.031 0.000 2.433 441 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 441 L C 0.572 177.325 176.870 -0.194 0.000 1.128 441 L CA 0.512 55.099 54.840 -0.422 0.000 0.875 441 L CB 0.490 42.256 42.059 -0.488 0.000 1.171 441 L HN 0.802 nan 8.230 nan 0.000 0.463 442 A N 4.321 127.017 122.820 -0.207 0.000 1.887 442 A HA 0.193 4.513 4.320 -0.000 0.000 0.210 442 A C 0.518 178.029 177.584 -0.121 0.000 1.221 442 A CA 0.321 52.301 52.037 -0.096 0.000 0.635 442 A CB -0.079 18.895 19.000 -0.044 0.000 0.881 442 A HN 0.702 nan 8.150 nan 0.000 0.456 443 E N -0.839 119.259 120.200 -0.169 0.000 2.191 443 E HA 0.569 4.919 4.350 -0.000 0.000 0.263 443 E C 0.436 176.907 176.600 -0.215 0.000 0.881 443 E CA 0.025 56.342 56.400 -0.139 0.000 0.757 443 E CB 1.818 31.472 29.700 -0.077 0.000 1.147 443 E HN 0.316 nan 8.360 nan 0.000 0.414 444 A N 3.722 126.422 122.820 -0.199 0.000 1.933 444 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 444 A C 1.536 178.952 177.584 -0.280 0.000 1.175 444 A CA 1.539 53.417 52.037 -0.265 0.000 0.628 444 A CB -1.126 17.757 19.000 -0.196 0.000 0.814 444 A HN 0.927 nan 8.150 nan 0.000 0.444 445 G N -0.486 108.232 108.800 -0.137 0.000 2.652 445 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.318 445 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.318 445 G C 1.027 175.912 174.900 -0.025 0.000 1.295 445 G CA 1.297 46.377 45.100 -0.033 0.000 0.999 445 G HN 1.264 nan 8.290 nan 0.000 0.548 446 W N 1.090 122.389 121.300 -0.003 0.000 2.341 446 W HA -0.069 4.591 4.660 -0.000 0.000 0.283 446 W C 2.146 178.665 176.519 -0.000 0.000 1.215 446 W CA 1.349 58.693 57.345 -0.001 0.000 1.211 446 W CB -0.857 28.593 29.460 -0.017 0.000 1.131 446 W HN 0.508 nan 8.180 nan 0.000 0.552 447 R N 0.591 120.666 120.500 -0.708 0.000 2.237 447 R HA -0.071 4.268 4.340 -0.000 0.000 0.219 447 R C 2.252 178.398 176.300 -0.256 0.000 1.080 447 R CA 1.821 57.517 56.100 -0.673 0.000 0.995 447 R CB -0.578 29.222 30.300 -0.834 0.000 0.875 447 R HN 0.134 nan 8.270 nan 0.000 0.462 448 T N 1.625 116.085 114.554 -0.158 0.000 2.737 448 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 448 T C 1.682 176.378 174.700 -0.007 0.000 1.040 448 T CA 1.050 63.111 62.100 -0.066 0.000 1.142 448 T CB -0.089 68.762 68.868 -0.027 0.000 0.861 448 T HN 0.207 nan 8.240 nan 0.000 0.456 449 L N 0.148 121.396 121.223 0.041 0.000 2.465 449 L HA 0.159 4.499 4.340 -0.000 0.000 0.224 449 L C 0.826 177.744 176.870 0.079 0.000 1.145 449 L CA 0.190 55.081 54.840 0.085 0.000 0.834 449 L CB -0.515 41.628 42.059 0.139 0.000 0.944 449 L HN 0.221 nan 8.230 nan 0.000 0.451 450 L N -0.262 120.985 121.223 0.039 0.000 2.436 450 L HA 0.268 4.608 4.340 -0.000 0.000 0.265 450 L C 1.202 178.088 176.870 0.026 0.000 1.168 450 L CA -0.431 54.433 54.840 0.040 0.000 0.815 450 L CB 0.459 42.513 42.059 -0.007 0.000 1.109 450 L HN 0.030 nan 8.230 nan 0.000 0.462 451 G N 0.643 109.464 108.800 0.036 0.000 2.583 451 G HA2 -0.073 3.886 3.960 -0.000 0.000 0.230 451 G HA3 -0.073 3.886 3.960 -0.000 0.000 0.230 451 G C 0.882 175.788 174.900 0.009 0.000 1.249 451 G CA -0.290 44.828 45.100 0.029 0.000 0.857 451 G HN 0.761 nan 8.290 nan 0.000 0.569 452 S N 0.215 115.923 115.700 0.014 0.000 2.488 452 S HA -0.157 4.313 4.470 -0.000 0.000 0.246 452 S C 2.073 176.668 174.600 -0.008 0.000 0.992 452 S CA 1.850 60.053 58.200 0.004 0.000 0.963 452 S CB -0.165 63.042 63.200 0.012 0.000 0.754 452 S HN 0.832 nan 8.310 nan 0.000 0.519 453 K N 1.262 121.656 120.400 -0.010 0.000 2.266 453 K HA 0.153 4.473 4.320 -0.000 0.000 0.209 453 K C 1.567 178.151 176.600 -0.027 0.000 1.065 453 K CA 0.487 56.763 56.287 -0.017 0.000 0.946 453 K CB -0.511 31.982 32.500 -0.012 0.000 1.069 453 K HN 0.272 nan 8.250 nan 0.000 0.472 454 E N 1.766 121.952 120.200 -0.024 0.000 2.396 454 E HA -0.202 4.148 4.350 -0.000 0.000 0.200 454 E C 2.105 178.675 176.600 -0.049 0.000 1.023 454 E CA 0.731 57.115 56.400 -0.025 0.000 0.857 454 E CB -0.250 29.445 29.700 -0.009 0.000 0.775 454 E HN 0.303 nan 8.360 nan 0.000 0.525 455 R N 1.322 121.781 120.500 -0.069 0.000 2.070 455 R HA -0.156 4.184 4.340 -0.000 0.000 0.233 455 R C 1.124 177.349 176.300 -0.124 0.000 1.137 455 R CA 1.973 58.001 56.100 -0.120 0.000 0.945 455 R CB 0.017 30.250 30.300 -0.111 0.000 0.845 455 R HN 0.162 nan 8.270 nan 0.000 0.430 456 D N 0.124 120.468 120.400 -0.093 0.000 2.349 456 D HA -0.017 4.623 4.640 -0.000 0.000 0.214 456 D C 0.566 176.817 176.300 -0.082 0.000 1.063 456 D CA 0.113 54.055 54.000 -0.098 0.000 0.847 456 D CB 0.402 41.147 40.800 -0.091 0.000 0.933 456 D HN 0.310 nan 8.370 nan 0.000 0.513 457 E N 0.761 120.928 120.200 -0.056 0.000 2.516 457 E HA -0.094 4.256 4.350 -0.000 0.000 0.199 457 E C 0.821 177.397 176.600 -0.040 0.000 1.069 457 E CA 0.388 56.760 56.400 -0.047 0.000 0.876 457 E CB 0.106 29.788 29.700 -0.030 0.000 0.843 457 E HN 0.429 nan 8.360 nan 0.000 0.530 458 E N 0.842 121.032 120.200 -0.017 0.000 2.558 458 E HA 0.046 4.396 4.350 -0.000 0.000 0.205 458 E C -0.536 176.068 176.600 0.007 0.000 1.006 458 E CA -0.249 56.158 56.400 0.011 0.000 0.961 458 E CB 0.279 30.020 29.700 0.069 0.000 1.044 458 E HN 0.004 nan 8.360 nan 0.000 0.465 459 N N 2.026 120.645 118.700 -0.135 0.000 2.431 459 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 459 N C -1.188 174.115 175.510 -0.346 0.000 1.184 459 N CA 0.371 53.176 53.050 -0.410 0.000 0.943 459 N CB 0.705 38.763 38.487 -0.716 0.000 1.080 459 N HN 0.032 nan 8.380 nan 0.000 0.477 460 D N 1.547 121.801 120.400 -0.243 0.000 2.349 460 D HA 0.517 5.157 4.640 -0.000 0.000 0.232 460 D C 1.314 177.645 176.300 0.051 0.000 1.071 460 D CA -0.021 53.935 54.000 -0.073 0.000 0.832 460 D CB 1.158 41.945 40.800 -0.022 0.000 1.086 460 D HN 0.611 nan 8.370 nan 0.000 0.504 461 G N 2.853 111.695 108.800 0.070 0.000 2.520 461 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.248 461 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.248 461 G C -0.460 174.628 174.900 0.312 0.000 1.161 461 G CA 0.084 45.287 45.100 0.170 0.000 0.946 461 G HN 0.806 nan 8.290 nan 0.000 0.565 462 T N -0.534 114.238 114.554 0.363 0.000 2.956 462 T HA 0.660 5.010 4.350 -0.000 0.000 0.312 462 T C -3.146 171.567 174.700 0.021 0.000 1.151 462 T CA -0.796 61.493 62.100 0.315 0.000 1.024 462 T CB 2.411 71.382 68.868 0.173 0.000 1.140 462 T HN 0.582 nan 8.240 nan 0.000 0.473 463 P HA 0.286 nan 4.420 nan 0.000 0.267 463 P C -0.832 176.331 177.300 -0.229 0.000 1.201 463 P CA -0.369 62.407 63.100 -0.540 0.000 0.775 463 P CB 0.400 31.768 31.700 -0.554 0.000 0.854 464 L N 3.431 124.522 121.223 -0.220 0.000 2.329 464 L HA 0.487 4.827 4.340 -0.000 0.000 0.279 464 L C -1.894 174.905 176.870 -0.118 0.000 1.014 464 L CA -2.253 52.462 54.840 -0.209 0.000 0.814 464 L CB 1.471 43.358 42.059 -0.287 0.000 1.257 464 L HN 0.289 nan 8.230 nan 0.000 0.424 465 P HA 0.063 nan 4.420 nan 0.000 0.272 465 P C -0.588 176.674 177.300 -0.063 0.000 1.223 465 P CA -0.314 62.769 63.100 -0.029 0.000 0.784 465 P CB 1.074 32.809 31.700 0.058 0.000 0.923 466 V N 3.460 123.313 119.914 -0.102 0.000 2.387 466 V HA 0.140 4.259 4.120 -0.000 0.000 0.260 466 V C 0.888 176.763 176.094 -0.365 0.000 1.054 466 V CA -0.042 62.092 62.300 -0.276 0.000 0.967 466 V CB 0.442 32.162 31.823 -0.171 0.000 1.036 466 V HN 0.452 nan 8.190 nan 0.000 0.481 467 V N 2.861 122.414 119.914 -0.601 0.000 3.113 467 V HA 1.078 5.198 4.120 -0.000 0.000 0.316 467 V C -0.042 175.755 176.094 -0.495 0.000 1.125 467 V CA -0.777 61.299 62.300 -0.374 0.000 1.026 467 V CB 1.988 33.730 31.823 -0.134 0.000 1.080 467 V HN 0.842 nan 8.190 nan 0.000 0.444 468 A N 0.929 123.621 122.820 -0.214 0.000 2.386 468 A HA 0.715 5.035 4.320 -0.000 0.000 0.308 468 A C -0.211 177.366 177.584 -0.012 0.000 1.128 468 A CA -1.000 50.965 52.037 -0.119 0.000 0.789 468 A CB 1.376 20.326 19.000 -0.085 0.000 1.325 468 A HN 1.074 nan 8.150 nan 0.000 0.437 469 K N 0.264 120.685 120.400 0.036 0.000 2.430 469 K HA 0.339 4.659 4.320 -0.000 0.000 0.280 469 K C 1.006 177.625 176.600 0.031 0.000 1.063 469 K CA 1.406 57.724 56.287 0.052 0.000 1.071 469 K CB -0.314 32.222 32.500 0.061 0.000 0.899 469 K HN 1.759 nan 8.250 nan 0.000 0.473 470 G N 3.256 112.076 108.800 0.034 0.000 2.184 470 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.206 470 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.206 470 G C -0.509 174.402 174.900 0.017 0.000 0.995 470 G CA -0.126 44.988 45.100 0.024 0.000 0.651 470 G HN 0.690 nan 8.290 nan 0.000 0.511 471 D N 1.000 121.409 120.400 0.016 0.000 2.389 471 D HA 0.458 5.098 4.640 -0.000 0.000 0.247 471 D C 0.448 176.760 176.300 0.020 0.000 1.128 471 D CA 0.217 54.223 54.000 0.011 0.000 0.884 471 D CB 1.245 42.046 40.800 0.003 0.000 1.194 471 D HN 0.544 nan 8.370 nan 0.000 0.441 472 E N 2.741 122.947 120.200 0.010 0.000 2.134 472 E HA 0.419 4.769 4.350 -0.000 0.000 0.278 472 E C -0.801 175.799 176.600 -0.001 0.000 0.959 472 E CA -0.533 55.870 56.400 0.006 0.000 0.783 472 E CB 0.505 30.205 29.700 -0.001 0.000 1.095 472 E HN 0.347 nan 8.360 nan 0.000 0.399 473 L N 3.122 124.342 121.223 -0.006 0.000 2.343 473 L HA 0.676 5.016 4.340 -0.000 0.000 0.264 473 L C -0.832 176.003 176.870 -0.059 0.000 1.050 473 L CA -1.478 53.345 54.840 -0.028 0.000 0.956 473 L CB 0.729 42.776 42.059 -0.021 0.000 1.576 473 L HN 0.514 nan 8.230 nan 0.000 0.521 474 L N -0.154 121.011 121.223 -0.096 0.000 2.431 474 L HA 0.459 4.799 4.340 -0.000 0.000 0.266 474 L C -1.192 175.590 176.870 -0.147 0.000 0.978 474 L CA -0.168 54.609 54.840 -0.105 0.000 0.822 474 L CB 1.850 43.860 42.059 -0.081 0.000 1.310 474 L HN 0.636 nan 8.230 nan 0.000 0.409 475 C N 4.437 123.649 119.300 -0.147 0.000 2.168 475 C HA 0.361 4.821 4.460 -0.000 0.000 0.333 475 C C 1.396 176.315 174.990 -0.118 0.000 1.106 475 C CA -0.317 58.602 59.018 -0.165 0.000 1.574 475 C CB -0.903 26.706 27.740 -0.217 0.000 2.055 475 C HN 1.055 nan 8.230 nan 0.000 0.473 476 E N 2.776 122.918 120.200 -0.096 0.000 2.021 476 E HA -0.154 4.196 4.350 -0.000 0.000 0.200 476 E C 0.315 176.866 176.600 -0.081 0.000 1.015 476 E CA 1.360 57.716 56.400 -0.074 0.000 0.824 476 E CB 0.165 29.832 29.700 -0.054 0.000 0.762 476 E HN 0.835 nan 8.360 nan 0.000 0.454 477 K N -0.959 119.390 120.400 -0.085 0.000 2.532 477 K HA 0.601 4.921 4.320 -0.000 0.000 0.265 477 K C -0.594 175.951 176.600 -0.092 0.000 0.948 477 K CA -0.849 55.371 56.287 -0.111 0.000 0.842 477 K CB 1.909 34.312 32.500 -0.162 0.000 1.392 477 K HN 0.056 nan 8.250 nan 0.000 0.436 478 G N 0.509 109.264 108.800 -0.077 0.000 2.434 478 G HA2 0.577 4.537 3.960 -0.000 0.000 0.330 478 G HA3 0.577 4.537 3.960 -0.000 0.000 0.330 478 G C -1.281 173.608 174.900 -0.019 0.000 1.155 478 G CA -0.633 44.459 45.100 -0.013 0.000 0.917 478 G HN 0.803 nan 8.290 nan 0.000 0.493 479 E N -0.739 119.500 120.200 0.064 0.000 2.356 479 E HA 0.503 4.852 4.350 -0.000 0.000 0.275 479 E C -1.516 175.147 176.600 0.105 0.000 0.904 479 E CA -0.911 55.521 56.400 0.053 0.000 0.757 479 E CB 2.130 31.849 29.700 0.032 0.000 1.232 479 E HN 0.278 nan 8.360 nan 0.000 0.442 480 V N 2.815 122.771 119.914 0.071 0.000 2.488 480 V HA 0.230 4.350 4.120 -0.000 0.000 0.277 480 V C -0.281 175.889 176.094 0.127 0.000 1.046 480 V CA -0.389 61.968 62.300 0.095 0.000 0.986 480 V CB 1.201 33.031 31.823 0.012 0.000 0.989 480 V HN 0.565 nan 8.190 nan 0.000 0.475 481 V N 4.984 125.003 119.914 0.176 0.000 2.459 481 V HA 0.430 4.550 4.120 -0.000 0.000 0.295 481 V C -0.008 176.189 176.094 0.172 0.000 1.029 481 V CA -0.778 61.608 62.300 0.145 0.000 0.874 481 V CB 1.724 33.621 31.823 0.123 0.000 0.985 481 V HN 0.878 nan 8.190 nan 0.000 0.438 482 E N 4.558 124.820 120.200 0.102 0.000 2.103 482 E HA 0.369 4.719 4.350 -0.000 0.000 0.254 482 E C -0.485 175.979 176.600 -0.226 0.000 0.940 482 E CA -0.428 55.999 56.400 0.044 0.000 0.771 482 E CB 1.062 30.854 29.700 0.153 0.000 1.153 482 E HN 0.543 nan 8.360 nan 0.000 0.428 483 R N 2.016 122.202 120.500 -0.524 0.000 2.532 483 R HA 0.306 4.646 4.340 -0.000 0.000 0.272 483 R C 0.050 175.832 176.300 -0.863 0.000 1.032 483 R CA -0.476 55.182 56.100 -0.736 0.000 1.089 483 R CB 1.045 30.689 30.300 -1.092 0.000 1.098 483 R HN 0.482 nan 8.270 nan 0.000 0.526 484 Q N -0.867 118.634 119.800 -0.498 0.000 2.289 484 Q HA 0.266 4.606 4.340 -0.000 0.000 0.270 484 Q C -0.937 175.082 176.000 0.032 0.000 1.038 484 Q CA -1.019 54.645 55.803 -0.232 0.000 0.812 484 Q CB 1.703 30.356 28.738 -0.142 0.000 1.300 484 Q HN 0.661 nan 8.270 nan 0.000 0.427 485 T N 0.282 114.981 114.554 0.242 0.000 2.946 485 T HA 0.126 4.476 4.350 -0.000 0.000 0.311 485 T C -0.030 174.874 174.700 0.341 0.000 1.063 485 T CA -0.167 62.143 62.100 0.350 0.000 1.139 485 T CB 0.841 69.953 68.868 0.407 0.000 0.994 485 T HN 0.647 nan 8.240 nan 0.000 0.547 486 Q N 2.452 122.355 119.800 0.172 0.000 2.337 486 Q HA 0.521 4.861 4.340 -0.000 0.000 0.266 486 Q C -2.452 173.240 176.000 -0.513 0.000 1.023 486 Q CA -2.238 53.535 55.803 -0.050 0.000 0.829 486 Q CB 1.649 30.349 28.738 -0.063 0.000 1.306 486 Q HN 0.571 nan 8.270 nan 0.000 0.449 487 P HA 0.240 nan 4.420 nan 0.000 0.272 487 P C -2.458 174.469 177.300 -0.621 0.000 1.230 487 P CA -1.096 61.306 63.100 -1.162 0.000 0.788 487 P CB -0.279 30.993 31.700 -0.714 0.000 0.949 488 P HA 0.210 nan 4.420 nan 0.000 0.269 488 P C 0.092 177.148 177.300 -0.407 0.000 1.215 488 P CA -0.001 62.868 63.100 -0.385 0.000 0.780 488 P CB 0.463 31.960 31.700 -0.338 0.000 0.898 489 R N 1.102 121.406 120.500 -0.326 0.000 2.615 489 R HA 0.224 4.564 4.340 -0.000 0.000 0.270 489 R C 0.832 176.902 176.300 -0.383 0.000 1.081 489 R CA -0.509 55.400 56.100 -0.318 0.000 1.154 489 R CB 0.168 30.422 30.300 -0.076 0.000 1.063 489 R HN 0.592 nan 8.270 nan 0.000 0.519 490 H N 0.881 119.773 119.070 -0.296 0.000 2.730 490 H HA 0.013 4.569 4.556 -0.000 0.000 0.376 490 H C 0.203 175.547 175.328 0.027 0.000 1.299 490 H CA 0.440 56.370 56.048 -0.197 0.000 1.447 490 H CB 0.330 29.934 29.762 -0.262 0.000 1.493 490 H HN 0.265 nan 8.280 nan 0.000 0.619 491 F N 0.258 120.342 119.950 0.224 0.000 2.444 491 F HA 0.097 4.624 4.527 -0.000 0.000 0.331 491 F C 1.290 177.196 175.800 0.177 0.000 1.167 491 F CA 0.086 58.181 58.000 0.157 0.000 1.262 491 F CB 0.691 39.729 39.000 0.064 0.000 1.196 491 F HN 0.404 nan 8.300 nan 0.000 0.583 492 T N -2.323 112.415 114.554 0.307 0.000 2.930 492 T HA 0.275 4.625 4.350 -0.000 0.000 0.290 492 T C 0.617 175.389 174.700 0.121 0.000 1.052 492 T CA -0.881 61.283 62.100 0.108 0.000 1.017 492 T CB 1.512 70.339 68.868 -0.069 0.000 1.137 492 T HN 0.501 nan 8.240 nan 0.000 0.511 493 D N 1.005 121.442 120.400 0.062 0.000 2.154 493 D HA -0.251 4.389 4.640 -0.000 0.000 0.190 493 D C 2.329 178.645 176.300 0.027 0.000 1.003 493 D CA 1.968 55.989 54.000 0.035 0.000 0.849 493 D CB -0.589 40.209 40.800 -0.004 0.000 0.942 493 D HN 0.753 nan 8.370 nan 0.000 0.446 494 A N 1.041 123.872 122.820 0.019 0.000 1.873 494 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 494 A C 2.491 180.114 177.584 0.065 0.000 1.193 494 A CA 3.353 55.403 52.037 0.021 0.000 0.629 494 A CB -1.157 17.844 19.000 0.002 0.000 0.826 494 A HN 0.445 nan 8.150 nan 0.000 0.447 495 T N -2.401 112.231 114.554 0.130 0.000 2.904 495 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 495 T C 1.746 176.611 174.700 0.274 0.000 1.059 495 T CA 1.255 63.495 62.100 0.233 0.000 1.137 495 T CB -0.393 68.649 68.868 0.290 0.000 0.879 495 T HN 0.149 nan 8.240 nan 0.000 0.467 496 L N 1.089 122.408 121.223 0.159 0.000 2.017 496 L HA 0.196 4.536 4.340 -0.000 0.000 0.208 496 L C 2.323 179.108 176.870 -0.141 0.000 1.073 496 L CA 1.413 56.119 54.840 -0.223 0.000 0.745 496 L CB -1.026 40.879 42.059 -0.257 0.000 0.894 496 L HN 0.282 nan 8.230 nan 0.000 0.432 497 L N -1.320 119.877 121.223 -0.043 0.000 2.131 497 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 497 L C 2.686 179.558 176.870 0.003 0.000 1.092 497 L CA 1.397 56.221 54.840 -0.028 0.000 0.759 497 L CB -0.662 41.386 42.059 -0.017 0.000 0.903 497 L HN 0.359 nan 8.230 nan 0.000 0.435 498 S N -0.283 115.444 115.700 0.045 0.000 2.383 498 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 498 S C 2.149 176.826 174.600 0.128 0.000 1.026 498 S CA 1.149 59.401 58.200 0.086 0.000 0.981 498 S CB -0.072 63.197 63.200 0.116 0.000 0.818 498 S HN 0.425 nan 8.310 nan 0.000 0.472 499 A N 1.407 124.300 122.820 0.122 0.000 1.930 499 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 499 A C 2.239 179.846 177.584 0.038 0.000 1.175 499 A CA 1.485 53.607 52.037 0.143 0.000 0.627 499 A CB -0.620 18.257 19.000 -0.205 0.000 0.815 499 A HN 0.640 nan 8.150 nan 0.000 0.443 500 M N -0.684 118.891 119.600 -0.042 0.000 2.213 500 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 500 M C 2.068 178.385 176.300 0.028 0.000 1.062 500 M CA 1.867 57.148 55.300 -0.031 0.000 1.105 500 M CB -0.573 31.996 32.600 -0.051 0.000 1.385 500 M HN 0.431 nan 8.290 nan 0.000 0.417 501 T N -0.446 114.136 114.554 0.046 0.000 2.851 501 T HA -0.009 4.341 4.350 -0.000 0.000 0.262 501 T C 1.410 176.157 174.700 0.078 0.000 1.043 501 T CA 1.364 63.495 62.100 0.052 0.000 1.140 501 T CB -0.359 68.534 68.868 0.042 0.000 0.872 501 T HN 0.553 nan 8.240 nan 0.000 0.446 502 G N 0.623 109.494 108.800 0.120 0.000 4.420 502 G HA2 0.366 4.326 3.960 -0.000 0.000 0.299 502 G HA3 0.366 4.326 3.960 -0.000 0.000 0.299 502 G C 0.812 175.842 174.900 0.216 0.000 1.343 502 G CA -0.405 44.773 45.100 0.132 0.000 1.272 502 G HN 0.273 nan 8.290 nan 0.000 0.610 503 I N 1.342 122.027 120.570 0.192 0.000 2.423 503 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 503 I C 2.629 178.896 176.117 0.249 0.000 1.151 503 I CA 1.477 62.925 61.300 0.246 0.000 1.421 503 I CB 0.224 38.292 38.000 0.114 0.000 1.079 503 I HN 0.296 nan 8.210 nan 0.000 0.431 504 A N -0.130 122.771 122.820 0.135 0.000 2.121 504 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 504 A C 2.335 179.933 177.584 0.023 0.000 1.154 504 A CA 0.953 53.035 52.037 0.076 0.000 0.679 504 A CB -0.661 18.365 19.000 0.044 0.000 0.795 504 A HN 0.417 nan 8.150 nan 0.000 0.458 505 R N -1.825 118.658 120.500 -0.028 0.000 2.293 505 R HA -0.069 4.271 4.340 -0.000 0.000 0.219 505 R C 0.285 176.332 176.300 -0.422 0.000 1.091 505 R CA 1.127 57.062 56.100 -0.276 0.000 1.004 505 R CB -0.226 29.783 30.300 -0.485 0.000 0.865 505 R HN 0.647 nan 8.270 nan 0.000 0.469 506 F N -0.961 119.003 119.950 0.024 0.000 2.706 506 F HA 0.163 4.690 4.527 -0.000 0.000 0.313 506 F C 0.411 176.221 175.800 0.017 0.000 1.096 506 F CA -0.450 57.567 58.000 0.029 0.000 1.219 506 F CB 0.709 39.736 39.000 0.045 0.000 1.051 506 F HN -0.326 nan 8.300 nan 0.000 0.568 507 V N 1.738 121.733 119.914 0.136 0.000 2.572 507 V HA 0.012 4.132 4.120 -0.000 0.000 0.291 507 V C 0.813 176.933 176.094 0.044 0.000 1.039 507 V CA 0.367 62.712 62.300 0.075 0.000 1.055 507 V CB 1.300 33.149 31.823 0.043 0.000 0.969 507 V HN 0.345 nan 8.190 nan 0.000 0.482 508 Q N 1.350 121.172 119.800 0.036 0.000 2.378 508 Q HA 0.062 4.402 4.340 -0.000 0.000 0.229 508 Q C 0.387 176.389 176.000 0.004 0.000 0.882 508 Q CA -0.103 55.713 55.803 0.022 0.000 0.936 508 Q CB 0.438 29.196 28.738 0.035 0.000 1.092 508 Q HN 0.914 nan 8.270 nan 0.000 0.535 509 D N 1.317 121.714 120.400 -0.005 0.000 2.349 509 D HA -0.049 4.591 4.640 -0.000 0.000 0.266 509 D C 0.841 177.133 176.300 -0.013 0.000 1.293 509 D CA 0.248 54.238 54.000 -0.015 0.000 0.926 509 D CB 0.867 41.649 40.800 -0.030 0.000 1.090 509 D HN -0.221 nan 8.370 nan 0.000 0.502 510 K N 2.693 123.086 120.400 -0.013 0.000 2.211 510 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 510 K C 0.867 177.459 176.600 -0.012 0.000 1.050 510 K CA 1.039 57.318 56.287 -0.013 0.000 0.945 510 K CB 0.117 32.608 32.500 -0.015 0.000 0.732 510 K HN 0.435 nan 8.250 nan 0.000 0.451 511 D N -0.313 120.079 120.400 -0.014 0.000 2.312 511 D HA -0.101 4.539 4.640 -0.000 0.000 0.211 511 D C 1.466 177.761 176.300 -0.008 0.000 0.964 511 D CA 0.476 54.469 54.000 -0.012 0.000 0.877 511 D CB 0.229 41.019 40.800 -0.015 0.000 0.924 511 D HN 0.122 nan 8.370 nan 0.000 0.515 512 L N 1.094 122.310 121.223 -0.011 0.000 2.127 512 L HA 0.015 4.355 4.340 -0.000 0.000 0.203 512 L C 2.122 178.998 176.870 0.010 0.000 1.080 512 L CA 1.477 56.316 54.840 -0.001 0.000 0.768 512 L CB -0.402 41.648 42.059 -0.015 0.000 0.924 512 L HN -0.230 nan 8.230 nan 0.000 0.444 513 K N -0.370 120.032 120.400 0.003 0.000 2.103 513 K HA -0.281 4.039 4.320 -0.000 0.000 0.207 513 K C 2.228 178.829 176.600 0.001 0.000 1.048 513 K CA 1.687 57.976 56.287 0.003 0.000 0.930 513 K CB -0.037 32.459 32.500 -0.007 0.000 0.716 513 K HN 0.073 nan 8.250 nan 0.000 0.444 514 K N 1.485 121.884 120.400 -0.001 0.000 2.044 514 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 514 K C 1.685 178.288 176.600 0.006 0.000 1.049 514 K CA 2.049 58.336 56.287 -0.002 0.000 0.927 514 K CB -0.276 32.222 32.500 -0.003 0.000 0.713 514 K HN 0.488 nan 8.250 nan 0.000 0.443 515 I N -1.393 119.185 120.570 0.014 0.000 3.861 515 I HA 0.261 4.431 4.170 -0.000 0.000 0.329 515 I C -0.415 175.721 176.117 0.032 0.000 1.321 515 I CA -0.439 60.874 61.300 0.023 0.000 1.126 515 I CB 0.058 38.076 38.000 0.029 0.000 1.018 515 I HN -0.131 nan 8.210 nan 0.000 0.407 516 L N 2.234 123.475 121.223 0.029 0.000 2.289 516 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 516 L C 0.508 177.393 176.870 0.024 0.000 1.049 516 L CA -0.412 54.448 54.840 0.034 0.000 0.804 516 L CB 1.105 43.187 42.059 0.038 0.000 1.195 516 L HN 0.233 nan 8.230 nan 0.000 0.428 517 R N 1.566 122.082 120.500 0.025 0.000 2.637 517 R HA 0.290 4.630 4.340 -0.000 0.000 0.269 517 R C 0.783 177.098 176.300 0.026 0.000 1.089 517 R CA 0.024 56.136 56.100 0.021 0.000 1.177 517 R CB 0.618 30.930 30.300 0.020 0.000 1.091 517 R HN 0.784 nan 8.270 nan 0.000 0.540 518 A N 0.391 123.226 122.820 0.025 0.000 2.178 518 A HA -0.054 4.266 4.320 -0.000 0.000 0.211 518 A C 1.559 179.166 177.584 0.038 0.000 1.157 518 A CA 0.931 52.986 52.037 0.030 0.000 0.780 518 A CB -0.249 18.764 19.000 0.023 0.000 0.828 518 A HN 0.830 nan 8.150 nan 0.000 0.476 519 T N -2.566 112.011 114.554 0.038 0.000 3.129 519 T HA 0.077 4.427 4.350 -0.000 0.000 0.251 519 T C -0.149 174.577 174.700 0.042 0.000 1.117 519 T CA 0.248 62.374 62.100 0.044 0.000 1.034 519 T CB -0.084 68.813 68.868 0.048 0.000 0.968 519 T HN 0.245 nan 8.240 nan 0.000 0.526 520 D N 2.403 122.827 120.400 0.039 0.000 2.622 520 D HA 0.346 4.986 4.640 -0.000 0.000 0.262 520 D C 0.809 177.135 176.300 0.043 0.000 1.189 520 D CA -0.235 53.788 54.000 0.037 0.000 0.985 520 D CB 0.678 41.497 40.800 0.031 0.000 0.994 520 D HN 0.449 nan 8.370 nan 0.000 0.513 521 G N 0.478 109.304 108.800 0.043 0.000 2.667 521 G HA2 0.192 4.152 3.960 -0.000 0.000 0.250 521 G HA3 0.192 4.152 3.960 -0.000 0.000 0.250 521 G C 0.044 174.967 174.900 0.039 0.000 1.212 521 G CA -0.513 44.613 45.100 0.044 0.000 0.874 521 G HN 0.350 nan 8.290 nan 0.000 0.561 522 L N 1.552 122.795 121.223 0.033 0.000 2.325 522 L HA 0.539 4.879 4.340 -0.000 0.000 0.284 522 L C 0.849 177.732 176.870 0.022 0.000 1.089 522 L CA 1.412 56.268 54.840 0.028 0.000 0.836 522 L CB -0.243 41.823 42.059 0.011 0.000 1.184 522 L HN 1.515 nan 8.230 nan 0.000 0.444 523 G N 2.800 111.619 108.800 0.032 0.000 2.781 523 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.683 523 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.683 523 G C -0.230 174.682 174.900 0.021 0.000 1.390 523 G CA -0.505 44.612 45.100 0.028 0.000 0.850 523 G HN 0.741 nan 8.290 nan 0.000 0.557 524 T N 0.866 115.432 114.554 0.019 0.000 2.817 524 T HA 0.271 4.621 4.350 -0.000 0.000 0.295 524 T C 1.607 176.304 174.700 -0.005 0.000 0.958 524 T CA 0.955 63.062 62.100 0.011 0.000 1.157 524 T CB 1.330 70.208 68.868 0.016 0.000 0.898 524 T HN 0.702 nan 8.240 nan 0.000 0.536 525 E N 3.445 123.637 120.200 -0.014 0.000 2.086 525 E HA -0.243 4.107 4.350 -0.000 0.000 0.200 525 E C 2.208 178.778 176.600 -0.050 0.000 1.012 525 E CA 1.443 57.825 56.400 -0.030 0.000 0.812 525 E CB -0.149 29.530 29.700 -0.036 0.000 0.743 525 E HN 0.800 nan 8.360 nan 0.000 0.453 526 A N -0.205 122.573 122.820 -0.070 0.000 2.178 526 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 526 A C 1.803 179.357 177.584 -0.050 0.000 1.157 526 A CA 1.721 53.707 52.037 -0.084 0.000 0.689 526 A CB -0.381 18.551 19.000 -0.113 0.000 0.787 526 A HN 0.413 nan 8.150 nan 0.000 0.465 527 T N -5.160 109.377 114.554 -0.028 0.000 3.337 527 T HA 0.328 4.678 4.350 -0.000 0.000 0.299 527 T C 1.076 175.773 174.700 -0.006 0.000 0.998 527 T CA -0.307 61.786 62.100 -0.011 0.000 0.948 527 T CB 0.010 68.882 68.868 0.006 0.000 1.170 527 T HN 0.364 nan 8.240 nan 0.000 0.508 528 R N 0.936 121.427 120.500 -0.014 0.000 2.075 528 R HA 0.204 4.544 4.340 -0.000 0.000 0.232 528 R C 2.762 179.057 176.300 -0.008 0.000 1.126 528 R CA 1.375 57.468 56.100 -0.011 0.000 0.963 528 R CB -0.458 29.831 30.300 -0.019 0.000 0.858 528 R HN 0.494 nan 8.270 nan 0.000 0.435 529 A N 0.625 123.436 122.820 -0.015 0.000 1.940 529 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 529 A C 2.316 179.900 177.584 0.001 0.000 1.176 529 A CA 1.844 53.873 52.037 -0.013 0.000 0.631 529 A CB -1.139 17.845 19.000 -0.027 0.000 0.814 529 A HN 0.494 nan 8.150 nan 0.000 0.446 530 G N -0.025 108.777 108.800 0.004 0.000 2.422 530 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.218 530 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.218 530 G C 1.357 176.277 174.900 0.032 0.000 1.146 530 G CA 1.077 46.186 45.100 0.015 0.000 0.769 530 G HN 0.405 nan 8.290 nan 0.000 0.547 531 I N 0.719 121.308 120.570 0.031 0.000 2.315 531 I HA -0.064 4.106 4.170 -0.000 0.000 0.248 531 I C 2.696 178.852 176.117 0.064 0.000 1.117 531 I CA 0.860 62.185 61.300 0.042 0.000 1.404 531 I CB -0.771 37.245 38.000 0.028 0.000 1.071 531 I HN 0.186 nan 8.210 nan 0.000 0.419 532 I N 1.121 121.734 120.570 0.071 0.000 2.286 532 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 532 I C 2.620 178.896 176.117 0.265 0.000 1.104 532 I CA 1.250 62.636 61.300 0.143 0.000 1.397 532 I CB -0.247 37.829 38.000 0.128 0.000 1.072 532 I HN 0.309 nan 8.210 nan 0.000 0.417 533 E N 0.875 121.171 120.200 0.161 0.000 2.152 533 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 533 E C 2.220 178.912 176.600 0.154 0.000 0.983 533 E CA 0.836 57.330 56.400 0.157 0.000 0.818 533 E CB -0.443 29.268 29.700 0.018 0.000 0.758 533 E HN 0.305 nan 8.360 nan 0.000 0.467 534 L N 1.498 122.778 121.223 0.095 0.000 2.079 534 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 534 L C 2.139 179.027 176.870 0.030 0.000 1.081 534 L CA 1.557 56.429 54.840 0.053 0.000 0.752 534 L CB -0.493 41.593 42.059 0.044 0.000 0.896 534 L HN 0.225 nan 8.230 nan 0.000 0.433 535 L N -2.011 119.255 121.223 0.072 0.000 2.275 535 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 535 L C 2.239 179.067 176.870 -0.070 0.000 1.119 535 L CA 0.837 55.688 54.840 0.018 0.000 0.790 535 L CB -0.428 41.665 42.059 0.057 0.000 0.919 535 L HN 0.209 nan 8.230 nan 0.000 0.443 536 F N 0.122 120.055 119.950 -0.028 0.000 2.187 536 F HA -0.143 4.384 4.527 -0.000 0.000 0.295 536 F C 2.605 178.367 175.800 -0.064 0.000 1.091 536 F CA 1.185 59.170 58.000 -0.025 0.000 1.308 536 F CB -0.112 38.882 39.000 -0.010 0.000 1.030 536 F HN -0.119 nan 8.300 nan 0.000 0.487 537 K N 0.161 120.624 120.400 0.104 0.000 2.152 537 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 537 K C 1.881 178.419 176.600 -0.103 0.000 1.048 537 K CA 1.091 57.383 56.287 0.009 0.000 0.933 537 K CB 0.079 32.578 32.500 -0.001 0.000 0.721 537 K HN -0.033 nan 8.250 nan 0.000 0.447 538 R N -0.657 119.683 120.500 -0.266 0.000 2.299 538 R HA 0.041 4.381 4.340 -0.000 0.000 0.197 538 R C 1.018 177.010 176.300 -0.513 0.000 0.971 538 R CA 0.871 56.621 56.100 -0.583 0.000 1.030 538 R CB -0.100 29.400 30.300 -1.332 0.000 0.932 538 R HN 0.504 nan 8.270 nan 0.000 0.477 539 G N 1.047 109.713 108.800 -0.222 0.000 2.179 539 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 539 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 539 G C 0.450 175.411 174.900 0.101 0.000 1.010 539 G CA 0.239 45.313 45.100 -0.043 0.000 0.736 539 G HN 0.264 nan 8.290 nan 0.000 0.513 540 F N -0.500 119.402 119.950 -0.080 0.000 2.416 540 F HA 0.425 4.952 4.527 -0.000 0.000 0.296 540 F C 1.729 177.410 175.800 -0.198 0.000 1.099 540 F CA 0.061 57.998 58.000 -0.105 0.000 1.427 540 F CB -0.132 38.822 39.000 -0.077 0.000 1.079 540 F HN 0.171 nan 8.300 nan 0.000 0.536 541 L N -1.311 119.790 121.223 -0.204 0.000 2.309 541 L HA 0.668 5.008 4.340 -0.000 0.000 0.261 541 L C -0.116 176.359 176.870 -0.659 0.000 1.021 541 L CA -0.493 54.032 54.840 -0.525 0.000 0.823 541 L CB 2.282 43.775 42.059 -0.945 0.000 1.366 541 L HN -0.268 nan 8.230 nan 0.000 0.423 542 T N 0.201 114.497 114.554 -0.431 0.000 2.830 542 T HA 0.354 4.704 4.350 -0.000 0.000 0.322 542 T C -1.700 173.142 174.700 0.237 0.000 1.501 542 T CA -0.676 61.433 62.100 0.015 0.000 1.036 542 T CB 1.908 70.792 68.868 0.028 0.000 1.379 542 T HN 0.512 nan 8.240 nan 0.000 0.493 543 K N 2.343 122.946 120.400 0.338 0.000 2.292 543 K HA 0.526 4.846 4.320 -0.000 0.000 0.257 543 K C 0.336 177.009 176.600 0.122 0.000 0.940 543 K CA -1.040 55.406 56.287 0.264 0.000 0.811 543 K CB 1.587 34.230 32.500 0.239 0.000 1.120 543 K HN 0.294 nan 8.250 nan 0.000 0.428 544 K N 0.895 121.353 120.400 0.098 0.000 2.102 544 K HA 0.124 4.444 4.320 -0.000 0.000 0.208 544 K C 1.328 177.980 176.600 0.087 0.000 1.027 544 K CA 0.798 57.097 56.287 0.020 0.000 0.958 544 K CB -0.104 32.331 32.500 -0.109 0.000 0.819 544 K HN 0.766 nan 8.250 nan 0.000 0.453 545 G N 1.105 110.006 108.800 0.169 0.000 3.345 545 G HA2 0.041 4.001 3.960 -0.000 0.000 0.202 545 G HA3 0.041 4.001 3.960 -0.000 0.000 0.202 545 G C 0.854 175.811 174.900 0.095 0.000 1.740 545 G CA -0.002 45.183 45.100 0.142 0.000 0.806 545 G HN 0.240 nan 8.290 nan 0.000 0.718 546 R N -0.702 119.809 120.500 0.019 0.000 2.307 546 R HA 0.161 4.501 4.340 -0.000 0.000 0.199 546 R C -0.370 175.849 176.300 -0.136 0.000 1.000 546 R CA 0.261 56.285 56.100 -0.127 0.000 1.023 546 R CB -0.389 29.744 30.300 -0.279 0.000 0.908 546 R HN 0.315 nan 8.270 nan 0.000 0.473 547 Y N 1.049 121.432 120.300 0.138 0.000 2.334 547 Y HA 0.397 4.947 4.550 -0.000 0.000 0.328 547 Y C 0.303 176.339 175.900 0.225 0.000 1.130 547 Y CA -1.148 57.059 58.100 0.178 0.000 1.163 547 Y CB 1.230 39.815 38.460 0.209 0.000 1.207 547 Y HN -0.124 nan 8.280 nan 0.000 0.471 548 I N 3.986 124.775 120.570 0.365 0.000 2.336 548 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 548 I C -0.715 175.477 176.117 0.124 0.000 0.991 548 I CA -0.420 61.056 61.300 0.294 0.000 1.227 548 I CB 0.606 38.768 38.000 0.270 0.000 1.366 548 I HN 0.598 nan 8.210 nan 0.000 0.466 549 H N 2.815 121.868 119.070 -0.029 0.000 2.569 549 H HA 0.411 4.967 4.556 -0.000 0.000 0.357 549 H C -0.184 175.089 175.328 -0.091 0.000 1.153 549 H CA -0.768 55.217 56.048 -0.105 0.000 1.193 549 H CB 1.633 31.289 29.762 -0.176 0.000 1.602 549 H HN 0.544 nan 8.280 nan 0.000 0.523 550 S N 0.757 116.469 115.700 0.019 0.000 2.580 550 S HA 0.312 4.782 4.470 -0.000 0.000 0.274 550 S C 0.389 174.993 174.600 0.006 0.000 1.329 550 S CA -0.791 57.392 58.200 -0.028 0.000 1.036 550 S CB 0.657 63.810 63.200 -0.078 0.000 0.919 550 S HN 0.729 nan 8.310 nan 0.000 0.515 551 T N -0.464 114.091 114.554 0.002 0.000 2.874 551 T HA 0.310 4.660 4.350 -0.000 0.000 0.281 551 T C 0.470 175.183 174.700 0.022 0.000 0.994 551 T CA -0.661 61.452 62.100 0.022 0.000 1.015 551 T CB 0.440 69.334 68.868 0.043 0.000 1.028 551 T HN 0.472 nan 8.240 nan 0.000 0.523 552 D N 1.107 121.523 120.400 0.027 0.000 2.170 552 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 552 D C 2.247 178.557 176.300 0.016 0.000 1.004 552 D CA 1.955 55.970 54.000 0.026 0.000 0.860 552 D CB -0.695 40.120 40.800 0.025 0.000 0.931 552 D HN 0.766 nan 8.370 nan 0.000 0.448 553 A N 0.474 123.306 122.820 0.019 0.000 1.929 553 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 553 A C 2.395 179.909 177.584 -0.117 0.000 1.176 553 A CA 1.927 53.957 52.037 -0.010 0.000 0.628 553 A CB -0.987 18.046 19.000 0.054 0.000 0.816 553 A HN 0.298 nan 8.150 nan 0.000 0.444 554 G N 0.238 108.990 108.800 -0.080 0.000 2.491 554 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 554 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 554 G C 1.666 176.466 174.900 -0.167 0.000 1.180 554 G CA 1.240 46.207 45.100 -0.222 0.000 0.774 554 G HN 0.590 nan 8.290 nan 0.000 0.562 555 K N 0.693 121.054 120.400 -0.065 0.000 2.032 555 K HA -0.001 4.319 4.320 -0.000 0.000 0.209 555 K C 2.968 179.643 176.600 0.124 0.000 1.048 555 K CA 1.137 57.433 56.287 0.015 0.000 0.927 555 K CB -0.294 32.257 32.500 0.084 0.000 0.712 555 K HN 0.284 nan 8.250 nan 0.000 0.441 556 A N 1.666 124.529 122.820 0.071 0.000 1.877 556 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 556 A C 2.154 179.783 177.584 0.074 0.000 1.186 556 A CA 1.141 53.227 52.037 0.082 0.000 0.620 556 A CB -0.640 18.386 19.000 0.044 0.000 0.822 556 A HN 0.230 nan 8.150 nan 0.000 0.443 557 L N -1.107 120.121 121.223 0.009 0.000 2.013 557 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 557 L C 2.213 179.046 176.870 -0.061 0.000 1.073 557 L CA 2.542 57.367 54.840 -0.025 0.000 0.753 557 L CB -0.968 40.880 42.059 -0.351 0.000 0.890 557 L HN 0.467 nan 8.230 nan 0.000 0.432 558 F N -0.262 119.545 119.950 -0.238 0.000 2.091 558 F HA -0.311 4.216 4.527 -0.000 0.000 0.299 558 F C 2.568 178.209 175.800 -0.264 0.000 1.103 558 F CA 2.258 60.086 58.000 -0.288 0.000 1.228 558 F CB -0.390 38.383 39.000 -0.380 0.000 0.984 558 F HN 0.300 nan 8.300 nan 0.000 0.477 559 H N -0.786 118.291 119.070 0.013 0.000 2.502 559 H HA 0.001 4.557 4.556 -0.000 0.000 0.283 559 H C 2.465 177.707 175.328 -0.144 0.000 1.015 559 H CA 1.225 57.221 56.048 -0.087 0.000 1.298 559 H CB -0.469 29.308 29.762 0.026 0.000 1.411 559 H HN 0.380 nan 8.280 nan 0.000 0.556 560 S N 0.251 115.938 115.700 -0.021 0.000 2.522 560 S HA 0.035 4.505 4.470 -0.000 0.000 0.227 560 S C 0.969 175.598 174.600 0.049 0.000 0.986 560 S CA -0.023 58.177 58.200 0.000 0.000 0.929 560 S CB -0.239 63.002 63.200 0.068 0.000 0.769 560 S HN 0.092 nan 8.310 nan 0.000 0.529 561 L N 2.202 123.355 121.223 -0.117 0.000 2.325 561 L HA 0.491 4.831 4.340 -0.000 0.000 0.279 561 L C -2.461 174.309 176.870 -0.167 0.000 1.054 561 L CA -2.658 52.076 54.840 -0.176 0.000 0.804 561 L CB 0.981 42.840 42.059 -0.334 0.000 1.200 561 L HN -0.012 nan 8.230 nan 0.000 0.436 562 P HA 0.015 nan 4.420 nan 0.000 0.268 562 P C 0.321 177.543 177.300 -0.130 0.000 1.205 562 P CA -0.157 62.900 63.100 -0.071 0.000 0.771 562 P CB 0.578 32.273 31.700 -0.009 0.000 0.858 563 E N 1.871 121.994 120.200 -0.129 0.000 2.219 563 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 563 E C 1.473 178.011 176.600 -0.104 0.000 0.998 563 E CA 1.164 57.478 56.400 -0.142 0.000 0.818 563 E CB -0.109 29.536 29.700 -0.091 0.000 0.741 563 E HN 0.572 nan 8.360 nan 0.000 0.477 564 M N -1.529 118.027 119.600 -0.073 0.000 2.557 564 M HA 0.055 4.535 4.480 -0.000 0.000 0.259 564 M C 1.819 178.087 176.300 -0.053 0.000 1.086 564 M CA 1.340 56.601 55.300 -0.066 0.000 1.096 564 M CB 0.192 32.763 32.600 -0.049 0.000 1.424 564 M HN -0.044 nan 8.290 nan 0.000 0.488 565 A N 0.730 123.526 122.820 -0.039 0.000 2.095 565 A HA 0.058 4.378 4.320 -0.000 0.000 0.212 565 A C 2.048 179.612 177.584 -0.033 0.000 1.162 565 A CA 1.162 53.206 52.037 0.013 0.000 0.753 565 A CB -0.537 18.470 19.000 0.011 0.000 0.840 565 A HN 0.680 nan 8.150 nan 0.000 0.468 566 T N -3.493 111.003 114.554 -0.097 0.000 2.990 566 T HA 0.237 4.587 4.350 -0.000 0.000 0.249 566 T C 0.988 175.694 174.700 0.010 0.000 1.039 566 T CA -0.426 61.639 62.100 -0.058 0.000 1.036 566 T CB 0.056 68.793 68.868 -0.217 0.000 0.994 566 T HN 0.116 nan 8.240 nan 0.000 0.489 567 R N 2.407 122.892 120.500 -0.024 0.000 2.679 567 R HA 0.237 4.576 4.340 -0.000 0.000 0.269 567 R C -1.741 174.545 176.300 -0.024 0.000 1.076 567 R CA -1.901 54.197 56.100 -0.002 0.000 1.160 567 R CB 0.055 30.342 30.300 -0.021 0.000 1.054 567 R HN 0.169 nan 8.270 nan 0.000 0.507 568 P HA 0.023 nan 4.420 nan 0.000 0.245 568 P C -0.075 177.194 177.300 -0.053 0.000 1.206 568 P CA 0.505 63.594 63.100 -0.018 0.000 0.781 568 P CB 0.361 32.080 31.700 0.032 0.000 0.994 569 D N 0.009 120.369 120.400 -0.066 0.000 2.120 569 D HA -0.189 4.451 4.640 -0.000 0.000 0.191 569 D C 2.063 178.255 176.300 -0.180 0.000 0.994 569 D CA 1.256 55.201 54.000 -0.091 0.000 0.838 569 D CB -0.943 39.802 40.800 -0.092 0.000 0.976 569 D HN 0.009 nan 8.370 nan 0.000 0.447 570 M N 0.030 119.445 119.600 -0.309 0.000 2.471 570 M HA -0.307 4.173 4.480 -0.000 0.000 0.260 570 M C 2.288 178.096 176.300 -0.819 0.000 1.065 570 M CA 2.388 57.300 55.300 -0.647 0.000 1.075 570 M CB -0.500 31.662 32.600 -0.731 0.000 1.258 570 M HN 0.076 nan 8.290 nan 0.000 0.457 571 T N -0.448 113.779 114.554 -0.546 0.000 2.881 571 T HA -0.043 4.307 4.350 -0.000 0.000 0.270 571 T C 1.433 176.131 174.700 -0.002 0.000 1.068 571 T CA 1.465 63.463 62.100 -0.169 0.000 1.131 571 T CB -0.239 68.627 68.868 -0.003 0.000 0.871 571 T HN 0.563 nan 8.240 nan 0.000 0.479 572 A N 0.519 123.316 122.820 -0.038 0.000 1.930 572 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 572 A C 2.190 179.806 177.584 0.053 0.000 1.175 572 A CA 1.766 53.818 52.037 0.026 0.000 0.627 572 A CB -1.003 18.014 19.000 0.028 0.000 0.815 572 A HN 0.795 nan 8.150 nan 0.000 0.443 573 H N -2.000 117.020 119.070 -0.082 0.000 2.389 573 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 573 H C 1.820 177.233 175.328 0.142 0.000 1.081 573 H CA 1.788 57.816 56.048 -0.034 0.000 1.345 573 H CB -0.199 29.477 29.762 -0.145 0.000 1.393 573 H HN 0.645 nan 8.280 nan 0.000 0.520 574 W N 1.624 122.926 121.300 0.003 0.000 2.381 574 W HA -0.084 4.576 4.660 -0.000 0.000 0.301 574 W C 2.382 178.892 176.519 -0.015 0.000 1.205 574 W CA 0.364 57.754 57.345 0.075 0.000 1.285 574 W CB -0.651 28.928 29.460 0.198 0.000 1.133 574 W HN 0.307 nan 8.180 nan 0.000 0.521 575 E N -0.117 120.199 120.200 0.194 0.000 2.110 575 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 575 E C 2.184 178.790 176.600 0.011 0.000 0.988 575 E CA 1.348 57.793 56.400 0.075 0.000 0.804 575 E CB -0.775 28.966 29.700 0.068 0.000 0.745 575 E HN 0.100 nan 8.360 nan 0.000 0.458 576 S N 0.433 116.135 115.700 0.004 0.000 2.351 576 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 576 S C 2.161 176.725 174.600 -0.061 0.000 1.035 576 S CA 1.526 59.712 58.200 -0.025 0.000 1.031 576 S CB -0.159 63.030 63.200 -0.019 0.000 0.928 576 S HN 0.077 nan 8.310 nan 0.000 0.433 577 V N 2.156 122.007 119.914 -0.105 0.000 2.515 577 V HA -0.091 4.028 4.120 -0.000 0.000 0.250 577 V C 2.349 178.332 176.094 -0.185 0.000 1.058 577 V CA 1.433 63.680 62.300 -0.087 0.000 1.064 577 V CB -0.710 31.132 31.823 0.032 0.000 0.675 577 V HN 0.448 nan 8.190 nan 0.000 0.461 578 L N -0.229 120.830 121.223 -0.274 0.000 2.012 578 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 578 L C 2.679 179.444 176.870 -0.174 0.000 1.073 578 L CA 2.127 56.762 54.840 -0.341 0.000 0.748 578 L CB -1.004 40.886 42.059 -0.282 0.000 0.891 578 L HN 0.334 nan 8.230 nan 0.000 0.431 579 T N -0.955 113.540 114.554 -0.098 0.000 2.720 579 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 579 T C 1.865 176.538 174.700 -0.046 0.000 1.037 579 T CA 1.295 63.362 62.100 -0.055 0.000 1.144 579 T CB -0.205 68.647 68.868 -0.026 0.000 0.864 579 T HN 0.389 nan 8.240 nan 0.000 0.444 580 Q N 0.213 119.990 119.800 -0.038 0.000 2.135 580 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 580 Q C 2.377 178.382 176.000 0.009 0.000 0.981 580 Q CA 1.237 57.039 55.803 -0.002 0.000 0.856 580 Q CB -0.429 28.319 28.738 0.017 0.000 0.902 580 Q HN 0.549 nan 8.270 nan 0.000 0.425 581 I N 0.902 121.451 120.570 -0.036 0.000 2.179 581 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 581 I C 2.572 178.635 176.117 -0.090 0.000 1.088 581 I CA 1.402 62.681 61.300 -0.034 0.000 1.357 581 I CB -0.560 37.375 38.000 -0.109 0.000 1.051 581 I HN 0.232 nan 8.210 nan 0.000 0.409 582 S N 0.354 115.996 115.700 -0.097 0.000 2.419 582 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 582 S C 1.410 175.966 174.600 -0.074 0.000 1.016 582 S CA 0.982 59.123 58.200 -0.097 0.000 0.974 582 S CB -0.480 62.679 63.200 -0.068 0.000 0.786 582 S HN 0.532 nan 8.310 nan 0.000 0.492 583 E N 0.929 121.108 120.200 -0.034 0.000 2.394 583 E HA 0.245 4.595 4.350 -0.000 0.000 0.191 583 E C -0.414 176.207 176.600 0.034 0.000 1.044 583 E CA -0.350 56.040 56.400 -0.016 0.000 0.939 583 E CB -0.074 29.620 29.700 -0.009 0.000 1.089 583 E HN 0.430 nan 8.360 nan 0.000 0.456 584 K N 0.893 121.337 120.400 0.073 0.000 3.016 584 K HA -0.217 4.103 4.320 -0.000 0.000 0.262 584 K C 0.398 177.184 176.600 0.310 0.000 1.043 584 K CA 0.409 56.843 56.287 0.244 0.000 0.761 584 K CB -0.555 32.038 32.500 0.154 0.000 1.230 584 K HN 0.161 nan 8.250 nan 0.000 0.485 585 Q N -1.176 118.760 119.800 0.228 0.000 2.159 585 Q HA 0.161 4.501 4.340 -0.000 0.000 0.217 585 Q C -0.068 176.021 176.000 0.150 0.000 0.818 585 Q CA 0.211 56.129 55.803 0.192 0.000 1.008 585 Q CB 1.287 30.091 28.738 0.109 0.000 1.148 585 Q HN 0.375 nan 8.270 nan 0.000 0.491 586 C N 1.117 120.519 119.300 0.171 0.000 2.989 586 C HA 0.406 4.866 4.460 -0.000 0.000 0.397 586 C C -0.734 174.369 174.990 0.188 0.000 1.022 586 C CA -0.718 58.368 59.018 0.114 0.000 1.232 586 C CB 0.843 28.649 27.740 0.110 0.000 1.638 586 C HN 0.321 nan 8.230 nan 0.000 0.534 587 R N 3.553 124.098 120.500 0.074 0.000 2.590 587 R HA 0.107 4.447 4.340 -0.000 0.000 0.274 587 R C 0.931 177.445 176.300 0.356 0.000 1.061 587 R CA 0.086 56.316 56.100 0.217 0.000 1.081 587 R CB 0.518 30.930 30.300 0.186 0.000 0.984 587 R HN 0.872 nan 8.270 nan 0.000 0.448 588 Y N 2.662 123.128 120.300 0.276 0.000 2.002 588 Y HA -0.445 4.105 4.550 -0.000 0.000 0.268 588 Y C 2.477 178.566 175.900 0.316 0.000 1.177 588 Y CA 2.524 60.760 58.100 0.227 0.000 1.111 588 Y CB -0.350 38.135 38.460 0.042 0.000 0.952 588 Y HN 0.680 nan 8.280 nan 0.000 0.491 589 Q N -0.212 119.809 119.800 0.370 0.000 2.207 589 Q HA -0.314 4.026 4.340 -0.000 0.000 0.215 589 Q C 1.588 177.613 176.000 0.042 0.000 1.006 589 Q CA 2.447 58.342 55.803 0.154 0.000 0.903 589 Q CB -0.345 28.523 28.738 0.215 0.000 0.947 589 Q HN 0.612 nan 8.270 nan 0.000 0.414 590 D N -1.204 119.263 120.400 0.111 0.000 2.347 590 D HA -0.067 4.573 4.640 -0.000 0.000 0.215 590 D C 1.154 177.532 176.300 0.130 0.000 0.976 590 D CA 0.486 54.542 54.000 0.094 0.000 0.884 590 D CB 0.008 40.865 40.800 0.095 0.000 0.915 590 D HN 0.327 nan 8.370 nan 0.000 0.526 591 F N 0.287 120.208 119.950 -0.047 0.000 2.419 591 F HA 0.098 4.624 4.527 -0.000 0.000 0.283 591 F C 1.997 177.707 175.800 -0.149 0.000 1.044 591 F CA 0.258 58.219 58.000 -0.066 0.000 1.376 591 F CB -0.091 38.856 39.000 -0.088 0.000 1.131 591 F HN -0.262 nan 8.300 nan 0.000 0.585 592 M N 0.756 120.109 119.600 -0.411 0.000 2.099 592 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 592 M C 2.108 178.214 176.300 -0.323 0.000 1.067 592 M CA 1.665 56.633 55.300 -0.553 0.000 1.124 592 M CB -0.704 31.492 32.600 -0.674 0.000 1.353 592 M HN 0.123 nan 8.290 nan 0.000 0.410 593 Q N 0.043 119.736 119.800 -0.179 0.000 2.020 593 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 593 Q C -0.264 175.711 176.000 -0.042 0.000 0.982 593 Q CA 2.057 57.821 55.803 -0.065 0.000 0.838 593 Q CB -2.230 26.499 28.738 -0.016 0.000 0.899 593 Q HN 0.354 nan 8.270 nan 0.000 0.423 594 P HA -0.162 nan 4.420 nan 0.000 0.216 594 P C 1.691 179.011 177.300 0.033 0.000 1.150 594 P CA 0.999 64.113 63.100 0.024 0.000 0.843 594 P CB -0.227 31.516 31.700 0.071 0.000 0.787 595 L N -0.951 120.202 121.223 -0.117 0.000 2.083 595 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 595 L C 2.096 178.945 176.870 -0.034 0.000 1.083 595 L CA 1.460 56.209 54.840 -0.152 0.000 0.752 595 L CB -0.592 41.059 42.059 -0.679 0.000 0.899 595 L HN -0.180 nan 8.230 nan 0.000 0.433 596 V N 0.099 119.994 119.914 -0.031 0.000 2.343 596 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 596 V C 2.626 178.842 176.094 0.203 0.000 1.051 596 V CA 1.793 64.137 62.300 0.074 0.000 1.036 596 V CB -1.375 30.515 31.823 0.112 0.000 0.654 596 V HN 0.659 nan 8.190 nan 0.000 0.451 597 G N -0.362 108.537 108.800 0.164 0.000 2.480 597 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 597 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 597 G C 1.686 176.701 174.900 0.192 0.000 1.200 597 G CA 1.636 46.842 45.100 0.177 0.000 0.782 597 G HN 0.433 nan 8.290 nan 0.000 0.554 598 T N 1.138 115.796 114.554 0.172 0.000 2.620 598 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 598 T C 2.238 177.049 174.700 0.186 0.000 1.044 598 T CA 1.549 63.770 62.100 0.201 0.000 1.161 598 T CB -0.387 68.668 68.868 0.312 0.000 0.862 598 T HN 0.118 nan 8.240 nan 0.000 0.438 599 L N -0.063 121.250 121.223 0.150 0.000 2.012 599 L HA -0.089 4.250 4.340 -0.000 0.000 0.210 599 L C 2.103 178.948 176.870 -0.042 0.000 1.073 599 L CA 1.742 56.597 54.840 0.024 0.000 0.748 599 L CB -0.985 41.028 42.059 -0.077 0.000 0.891 599 L HN 0.308 nan 8.230 nan 0.000 0.431 600 Y N -0.133 120.174 120.300 0.012 0.000 2.128 600 Y HA -0.340 4.210 4.550 -0.000 0.000 0.284 600 Y C 2.890 178.793 175.900 0.004 0.000 1.154 600 Y CA 2.217 60.315 58.100 -0.004 0.000 1.149 600 Y CB -0.580 37.878 38.460 -0.003 0.000 0.976 600 Y HN 0.384 nan 8.280 nan 0.000 0.505 601 Q N 0.206 120.114 119.800 0.181 0.000 2.045 601 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 601 Q C 2.163 178.209 176.000 0.077 0.000 0.991 601 Q CA 2.108 57.977 55.803 0.111 0.000 0.851 601 Q CB -0.396 28.401 28.738 0.098 0.000 0.911 601 Q HN 0.522 nan 8.270 nan 0.000 0.418 602 L N 0.280 121.546 121.223 0.072 0.000 2.131 602 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 602 L C 2.341 179.226 176.870 0.024 0.000 1.092 602 L CA 0.485 55.359 54.840 0.057 0.000 0.759 602 L CB -0.334 41.759 42.059 0.058 0.000 0.903 602 L HN 0.372 nan 8.230 nan 0.000 0.435 603 I N -0.181 120.375 120.570 -0.022 0.000 2.353 603 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 603 I C 2.163 178.259 176.117 -0.035 0.000 1.119 603 I CA 1.451 62.712 61.300 -0.066 0.000 1.417 603 I CB -0.918 37.000 38.000 -0.137 0.000 1.078 603 I HN 0.310 nan 8.210 nan 0.000 0.421 604 D N 0.780 121.187 120.400 0.011 0.000 2.104 604 D HA -0.221 4.418 4.640 -0.000 0.000 0.194 604 D C 2.247 178.551 176.300 0.007 0.000 0.994 604 D CA 1.438 55.449 54.000 0.018 0.000 0.830 604 D CB 0.127 40.952 40.800 0.042 0.000 0.959 604 D HN 0.322 nan 8.370 nan 0.000 0.452 605 Q N -0.158 119.655 119.800 0.022 0.000 2.061 605 Q HA -0.175 4.164 4.340 -0.000 0.000 0.204 605 Q C 2.354 178.362 176.000 0.013 0.000 0.984 605 Q CA 1.463 57.283 55.803 0.029 0.000 0.846 605 Q CB -0.289 28.481 28.738 0.053 0.000 0.902 605 Q HN 0.381 nan 8.270 nan 0.000 0.421 606 A N 1.669 124.481 122.820 -0.013 0.000 1.908 606 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 606 A C 1.911 179.401 177.584 -0.157 0.000 1.181 606 A CA 1.632 53.575 52.037 -0.156 0.000 0.627 606 A CB -0.397 18.413 19.000 -0.315 0.000 0.818 606 A HN 0.203 nan 8.150 nan 0.000 0.445 607 K N -0.917 119.423 120.400 -0.100 0.000 2.360 607 K HA -0.063 4.257 4.320 -0.000 0.000 0.201 607 K C 1.537 178.115 176.600 -0.037 0.000 1.046 607 K CA 1.075 57.319 56.287 -0.071 0.000 0.945 607 K CB -0.068 32.404 32.500 -0.047 0.000 0.750 607 K HN 0.422 nan 8.250 nan 0.000 0.464 608 R N -0.090 120.396 120.500 -0.024 0.000 2.397 608 R HA 0.086 4.426 4.340 -0.000 0.000 0.241 608 R C -0.151 176.151 176.300 0.003 0.000 0.914 608 R CA -0.026 56.071 56.100 -0.006 0.000 1.071 608 R CB 0.807 31.107 30.300 0.000 0.000 1.116 608 R HN -0.070 nan 8.270 nan 0.000 0.524 609 T N 4.698 119.254 114.554 0.004 0.000 2.784 609 T HA 0.097 4.447 4.350 -0.000 0.000 0.291 609 T C -2.144 172.582 174.700 0.043 0.000 0.942 609 T CA -0.911 61.210 62.100 0.035 0.000 1.161 609 T CB 0.781 69.698 68.868 0.083 0.000 0.885 609 T HN 0.060 nan 8.240 nan 0.000 0.534 610 P HA 0.094 nan 4.420 nan 0.000 0.265 610 P C 0.676 177.988 177.300 0.019 0.000 1.193 610 P CA -0.159 62.945 63.100 0.008 0.000 0.765 610 P CB 0.888 32.575 31.700 -0.023 0.000 0.823 611 V N 4.062 124.021 119.914 0.075 0.000 3.052 611 V HA -0.086 4.034 4.120 -0.000 0.000 0.254 611 V C 2.537 178.718 176.094 0.144 0.000 1.100 611 V CA 1.106 63.528 62.300 0.203 0.000 1.112 611 V CB -0.715 31.220 31.823 0.186 0.000 0.738 611 V HN 0.534 nan 8.190 nan 0.000 0.469 612 R N 0.764 121.284 120.500 0.032 0.000 2.139 612 R HA -0.246 4.094 4.340 -0.000 0.000 0.243 612 R C 2.288 178.558 176.300 -0.050 0.000 1.145 612 R CA 1.849 57.955 56.100 0.011 0.000 0.976 612 R CB -0.403 29.893 30.300 -0.007 0.000 0.866 612 R HN 0.759 nan 8.270 nan 0.000 0.449 613 Q N -0.134 119.547 119.800 -0.198 0.000 2.297 613 Q HA -0.151 4.189 4.340 -0.000 0.000 0.208 613 Q C 0.863 176.693 176.000 -0.282 0.000 0.981 613 Q CA 1.351 56.974 55.803 -0.301 0.000 0.876 613 Q CB -0.260 28.200 28.738 -0.464 0.000 0.921 613 Q HN 0.347 nan 8.270 nan 0.000 0.446 614 F N 1.240 121.206 119.950 0.026 0.000 2.773 614 F HA 0.236 4.763 4.527 -0.000 0.000 0.304 614 F C 0.657 176.468 175.800 0.019 0.000 1.129 614 F CA -0.244 57.765 58.000 0.016 0.000 1.378 614 F CB 0.083 39.112 39.000 0.048 0.000 1.095 614 F HN -0.113 nan 8.300 nan 0.000 0.565 615 R N -0.242 120.346 120.500 0.147 0.000 2.531 615 R HA 0.470 4.809 4.340 -0.000 0.000 0.273 615 R C 1.146 177.494 176.300 0.080 0.000 1.070 615 R CA 0.237 56.407 56.100 0.116 0.000 1.112 615 R CB 0.363 30.713 30.300 0.082 0.000 1.049 615 R HN 0.246 nan 8.270 nan 0.000 0.508 616 G N 1.940 110.790 108.800 0.084 0.000 2.272 616 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 616 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 616 G C -0.104 174.831 174.900 0.059 0.000 1.067 616 G CA -0.183 44.956 45.100 0.066 0.000 0.902 616 G HN 0.478 nan 8.290 nan 0.000 0.500 617 I N 0.757 121.368 120.570 0.069 0.000 2.355 617 I HA 0.382 4.551 4.170 -0.000 0.000 0.288 617 I C 1.088 177.258 176.117 0.089 0.000 0.999 617 I CA -1.222 60.085 61.300 0.010 0.000 1.163 617 I CB 1.552 39.464 38.000 -0.148 0.000 1.316 617 I HN 0.173 nan 8.210 nan 0.000 0.454 618 V N 3.750 123.719 119.914 0.092 0.000 3.264 618 V HA 0.740 4.860 4.120 -0.000 0.000 0.304 618 V C 0.504 176.739 176.094 0.235 0.000 1.086 618 V CA -0.564 61.826 62.300 0.150 0.000 1.090 618 V CB 1.247 33.128 31.823 0.096 0.000 1.112 618 V HN 0.755 nan 8.190 nan 0.000 0.472 619 A N 2.457 125.412 122.820 0.225 0.000 2.282 619 A HA 0.879 5.199 4.320 -0.000 0.000 0.319 619 A C -1.627 176.037 177.584 0.132 0.000 1.121 619 A CA -1.290 50.885 52.037 0.229 0.000 0.836 619 A CB -0.459 18.620 19.000 0.132 0.000 1.146 619 A HN 0.983 nan 8.150 nan 0.000 0.494 647 V N 1.916 121.888 119.914 0.096 0.000 2.532 647 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 647 V C 1.185 177.290 176.094 0.018 0.000 1.041 647 V CA 0.783 63.127 62.300 0.074 0.000 0.926 647 V CB 1.151 33.053 31.823 0.131 0.000 0.992 647 V HN 1.056 nan 8.190 nan 0.000 0.457 648 G N 3.675 112.468 108.800 -0.012 0.000 2.168 648 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 648 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 648 G C 1.115 175.942 174.900 -0.121 0.000 0.977 648 G CA 1.116 46.171 45.100 -0.076 0.000 0.659 648 G HN 1.138 nan 8.290 nan 0.000 0.533 649 S N -0.492 115.165 115.700 -0.072 0.000 2.425 649 S HA 0.238 4.708 4.470 -0.000 0.000 0.225 649 S C 2.468 177.011 174.600 -0.095 0.000 1.024 649 S CA 1.313 59.465 58.200 -0.079 0.000 0.951 649 S CB -0.446 62.747 63.200 -0.011 0.000 0.796 649 S HN 1.445 nan 8.310 nan 0.000 0.498 650 G N 1.573 110.326 108.800 -0.078 0.000 2.418 650 G HA2 0.041 4.001 3.960 -0.000 0.000 0.217 650 G HA3 0.041 4.001 3.960 -0.000 0.000 0.217 650 G C 1.677 176.533 174.900 -0.073 0.000 1.158 650 G CA 0.846 45.874 45.100 -0.120 0.000 0.771 650 G HN 0.777 nan 8.290 nan 0.000 0.545 651 A N 0.735 123.562 122.820 0.010 0.000 1.873 651 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 651 A C 2.402 179.971 177.584 -0.026 0.000 1.186 651 A CA 1.216 53.281 52.037 0.046 0.000 0.616 651 A CB -0.358 18.633 19.000 -0.015 0.000 0.823 651 A HN 0.361 nan 8.150 nan 0.000 0.442 652 I N -0.247 120.233 120.570 -0.150 0.000 2.208 652 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 652 I C 2.969 178.961 176.117 -0.208 0.000 1.097 652 I CA 1.094 62.233 61.300 -0.269 0.000 1.363 652 I CB -0.316 37.417 38.000 -0.444 0.000 1.051 652 I HN 0.382 nan 8.210 nan 0.000 0.413 653 A N 0.018 122.752 122.820 -0.145 0.000 1.855 653 A HA -0.258 4.062 4.320 -0.000 0.000 0.215 653 A C 2.071 179.470 177.584 -0.309 0.000 1.191 653 A CA 1.708 53.609 52.037 -0.227 0.000 0.613 653 A CB -1.192 17.548 19.000 -0.433 0.000 0.829 653 A HN 0.425 nan 8.150 nan 0.000 0.442 654 H N -2.230 116.724 119.070 -0.193 0.000 2.357 654 H HA -0.247 4.309 4.556 -0.000 0.000 0.296 654 H C 2.185 177.587 175.328 0.124 0.000 1.108 654 H CA 2.125 58.143 56.048 -0.050 0.000 1.273 654 H CB -0.063 29.675 29.762 -0.041 0.000 1.367 654 H HN 0.792 nan 8.280 nan 0.000 0.498 655 H N -0.728 118.417 119.070 0.124 0.000 2.317 655 H HA -0.058 4.498 4.556 -0.000 0.000 0.304 655 H C 2.086 177.623 175.328 0.349 0.000 1.067 655 H CA 1.814 57.947 56.048 0.143 0.000 1.352 655 H CB -0.335 29.446 29.762 0.031 0.000 1.398 655 H HN 0.457 nan 8.280 nan 0.000 0.510 656 H N -1.228 117.912 119.070 0.117 0.000 2.357 656 H HA -0.180 4.376 4.556 -0.000 0.000 0.296 656 H C 1.689 177.191 175.328 0.290 0.000 1.108 656 H CA 1.300 57.432 56.048 0.139 0.000 1.273 656 H CB 0.096 30.002 29.762 0.239 0.000 1.367 656 H HN 0.507 nan 8.280 nan 0.000 0.498 657 H N -1.115 118.116 119.070 0.268 0.000 2.545 657 H HA -0.049 4.507 4.556 -0.000 0.000 0.282 657 H C 0.873 176.306 175.328 0.174 0.000 1.020 657 H CA 0.848 57.016 56.048 0.201 0.000 1.243 657 H CB -0.122 29.752 29.762 0.188 0.000 1.377 657 H HN 0.405 nan 8.280 nan 0.000 0.581 658 H N -0.091 119.099 119.070 0.199 0.000 2.704 658 H HA 0.216 4.772 4.556 -0.000 0.000 0.315 658 H C -0.195 175.003 175.328 -0.216 0.000 1.117 658 H CA 0.066 56.125 56.048 0.019 0.000 1.129 658 H CB -0.351 29.412 29.762 0.001 0.000 1.439 658 H HN 0.380 nan 8.280 nan 0.000 0.528 659 H N 0.000 119.107 119.070 0.061 0.000 2.539 659 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 659 H CA 0.000 56.062 56.048 0.024 0.000 1.023 659 H CB 0.000 29.772 29.762 0.016 0.000 1.292 659 H HN 0.000 nan 8.280 nan 0.000 0.496