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_B 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 VRQFRGIVXX XXXXXXXXXX XXXXXXXXXX XXXXXEVGSG DATA SEQUENCE AIAHHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 0.000 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 R N 3.020 123.519 120.500 -0.003 0.000 2.255 2 R HA 0.705 5.045 4.340 -0.000 0.000 0.326 2 R C -1.776 174.484 176.300 -0.067 0.000 0.986 2 R CA -0.602 55.457 56.100 -0.069 0.000 0.847 2 R CB 1.412 31.661 30.300 -0.085 0.000 1.111 2 R HN 0.678 nan 8.270 nan 0.000 0.452 3 L N 5.337 126.479 121.223 -0.135 0.000 2.305 3 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 3 L C -1.540 175.226 176.870 -0.175 0.000 1.013 3 L CA -0.142 54.640 54.840 -0.096 0.000 0.819 3 L CB 0.913 42.931 42.059 -0.068 0.000 1.227 3 L HN 0.486 nan 8.230 nan 0.000 0.417 4 F N 5.744 125.660 119.950 -0.058 0.000 2.404 4 F HA 0.507 5.034 4.527 -0.000 0.000 0.345 4 F C 0.162 175.943 175.800 -0.031 0.000 1.110 4 F CA -0.228 57.755 58.000 -0.030 0.000 1.130 4 F CB 1.099 40.089 39.000 -0.017 0.000 1.129 4 F HN 0.261 nan 8.300 nan 0.000 0.500 5 I N 3.660 124.305 120.570 0.124 0.000 2.390 5 I HA 0.501 4.671 4.170 -0.000 0.000 0.283 5 I C -0.166 176.009 176.117 0.097 0.000 1.016 5 I CA -0.608 60.735 61.300 0.071 0.000 1.151 5 I CB 1.071 39.052 38.000 -0.031 0.000 1.293 5 I HN 0.642 nan 8.210 nan 0.000 0.458 6 A N 4.063 126.976 122.820 0.155 0.000 2.279 6 A HA 0.398 4.718 4.320 -0.000 0.000 0.303 6 A C 1.085 178.749 177.584 0.133 0.000 1.108 6 A CA -0.380 51.745 52.037 0.145 0.000 0.830 6 A CB 0.991 20.084 19.000 0.155 0.000 1.106 6 A HN 0.774 nan 8.150 nan 0.000 0.493 7 E N 0.270 120.527 120.200 0.095 0.000 2.130 7 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 7 E C 0.323 176.988 176.600 0.108 0.000 0.998 7 E CA 2.261 58.710 56.400 0.081 0.000 0.806 7 E CB -0.192 29.552 29.700 0.073 0.000 0.738 7 E HN 0.656 nan 8.360 nan 0.000 0.459 8 K N -4.617 115.841 120.400 0.095 0.000 2.642 8 K HA 0.271 4.591 4.320 -0.000 0.000 0.290 8 K C -2.643 173.823 176.600 -0.223 0.000 1.006 8 K CA -1.286 54.999 56.287 -0.003 0.000 0.869 8 K CB 1.106 33.595 32.500 -0.019 0.000 1.499 8 K HN -0.388 nan 8.250 nan 0.000 0.403 9 P HA -0.275 nan 4.420 nan 0.000 0.215 9 P C 1.109 178.088 177.300 -0.535 0.000 1.157 9 P CA 2.184 64.654 63.100 -1.051 0.000 0.874 9 P CB 0.016 31.103 31.700 -1.021 0.000 0.790 10 S N -1.051 114.450 115.700 -0.331 0.000 2.399 10 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 10 S C 1.922 176.409 174.600 -0.188 0.000 1.022 10 S CA 0.931 58.990 58.200 -0.235 0.000 0.983 10 S CB -1.582 61.510 63.200 -0.181 0.000 0.803 10 S HN 0.000 nan 8.310 nan 0.000 0.480 11 L N 1.910 123.050 121.223 -0.138 0.000 2.056 11 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 11 L C 2.743 179.563 176.870 -0.083 0.000 1.078 11 L CA 1.565 56.354 54.840 -0.085 0.000 0.749 11 L CB -1.001 41.051 42.059 -0.011 0.000 0.901 11 L HN 0.355 nan 8.230 nan 0.000 0.433 12 A N -0.644 122.133 122.820 -0.071 0.000 1.902 12 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 12 A C 2.416 179.948 177.584 -0.088 0.000 1.181 12 A CA 1.781 53.816 52.037 -0.003 0.000 0.623 12 A CB -0.556 18.566 19.000 0.203 0.000 0.818 12 A HN 0.432 nan 8.150 nan 0.000 0.443 13 R N -0.685 119.723 120.500 -0.153 0.000 2.096 13 R HA -0.167 4.173 4.340 -0.000 0.000 0.240 13 R C 2.423 178.627 176.300 -0.159 0.000 1.139 13 R CA 1.451 57.457 56.100 -0.157 0.000 0.952 13 R CB -0.482 29.713 30.300 -0.176 0.000 0.854 13 R HN 0.520 nan 8.270 nan 0.000 0.436 14 A N 0.630 123.358 122.820 -0.153 0.000 2.067 14 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 14 A C 2.027 179.515 177.584 -0.159 0.000 1.158 14 A CA 1.115 53.065 52.037 -0.144 0.000 0.661 14 A CB -0.397 18.519 19.000 -0.141 0.000 0.801 14 A HN 0.231 nan 8.150 nan 0.000 0.452 15 I N -0.711 119.744 120.570 -0.192 0.000 2.339 15 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 15 I C 2.899 178.812 176.117 -0.340 0.000 1.096 15 I CA 0.836 61.968 61.300 -0.280 0.000 1.408 15 I CB -0.517 37.259 38.000 -0.374 0.000 1.092 15 I HN 0.277 nan 8.210 nan 0.000 0.423 16 A N 1.061 123.684 122.820 -0.328 0.000 1.948 16 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 16 A C 1.815 179.037 177.584 -0.602 0.000 1.177 16 A CA 2.269 54.040 52.037 -0.443 0.000 0.636 16 A CB -0.672 18.106 19.000 -0.370 0.000 0.815 16 A HN 0.373 nan 8.150 nan 0.000 0.449 17 D N -0.838 119.353 120.400 -0.348 0.000 2.219 17 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 17 D C 1.727 177.990 176.300 -0.062 0.000 0.970 17 D CA 1.005 54.908 54.000 -0.163 0.000 0.851 17 D CB -0.200 40.556 40.800 -0.074 0.000 0.943 17 D HN 0.236 nan 8.370 nan 0.000 0.488 18 V N 0.305 120.147 119.914 -0.119 0.000 3.052 18 V HA 0.037 4.157 4.120 -0.000 0.000 0.254 18 V C 1.043 177.107 176.094 -0.050 0.000 1.100 18 V CA 0.260 62.521 62.300 -0.065 0.000 1.112 18 V CB 0.068 31.844 31.823 -0.079 0.000 0.738 18 V HN 0.101 nan 8.190 nan 0.000 0.469 19 L N 1.229 122.383 121.223 -0.114 0.000 2.417 19 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 19 L C -2.042 174.898 176.870 0.118 0.000 1.158 19 L CA -1.742 53.067 54.840 -0.052 0.000 0.819 19 L CB 0.191 42.162 42.059 -0.148 0.000 1.112 19 L HN 0.048 nan 8.230 nan 0.000 0.458 20 P HA -0.074 nan 4.420 nan 0.000 0.264 20 P C -1.088 176.340 177.300 0.214 0.000 1.173 20 P CA 0.467 63.649 63.100 0.137 0.000 0.761 20 P CB 0.346 32.097 31.700 0.085 0.000 0.794 21 K N 4.041 124.470 120.400 0.048 0.000 2.098 21 K HA 0.420 4.740 4.320 -0.000 0.000 0.257 21 K C -1.811 174.743 176.600 -0.075 0.000 0.999 21 K CA -1.466 54.694 56.287 -0.211 0.000 0.924 21 K CB -0.284 32.024 32.500 -0.319 0.000 1.028 21 K HN 0.423 nan 8.250 nan 0.000 0.466 22 P HA 0.153 nan 4.420 nan 0.000 0.279 22 P C -1.207 176.067 177.300 -0.043 0.000 1.252 22 P CA -0.440 62.558 63.100 -0.170 0.000 0.811 22 P CB 0.582 32.241 31.700 -0.068 0.000 1.035 23 H N 0.122 119.191 119.070 -0.001 0.000 2.683 23 H HA 0.334 4.890 4.556 -0.000 0.000 0.270 23 H C 0.445 175.768 175.328 -0.008 0.000 1.201 23 H CA -0.716 55.330 56.048 -0.004 0.000 1.277 23 H CB 0.801 30.554 29.762 -0.015 0.000 1.400 23 H HN 0.233 nan 8.280 nan 0.000 0.504 24 R N 3.118 123.682 120.500 0.106 0.000 2.248 24 R HA 0.056 4.396 4.340 -0.000 0.000 0.328 24 R C -0.284 176.002 176.300 -0.024 0.000 1.067 24 R CA -0.631 55.493 56.100 0.040 0.000 0.924 24 R CB 0.409 30.740 30.300 0.052 0.000 1.013 24 R HN 0.431 nan 8.270 nan 0.000 0.454 25 K N 3.474 123.846 120.400 -0.047 0.000 2.363 25 K HA 0.126 4.446 4.320 -0.000 0.000 0.289 25 K C -0.035 176.416 176.600 -0.248 0.000 1.063 25 K CA -0.038 56.184 56.287 -0.110 0.000 0.967 25 K CB 0.714 33.185 32.500 -0.049 0.000 0.987 25 K HN 0.753 nan 8.250 nan 0.000 0.473 26 G N 2.599 111.038 108.800 -0.601 0.000 2.543 26 G HA2 0.082 4.042 3.960 -0.000 0.000 0.267 26 G HA3 0.082 4.042 3.960 -0.000 0.000 0.267 26 G C -1.050 173.490 174.900 -0.600 0.000 1.406 26 G CA -0.547 43.941 45.100 -1.019 0.000 1.048 26 G HN 0.688 nan 8.290 nan 0.000 0.548 27 D N -1.128 119.027 120.400 -0.409 0.000 2.477 27 D HA 0.475 5.115 4.640 -0.000 0.000 0.239 27 D C 0.765 177.143 176.300 0.131 0.000 1.102 27 D CA 0.872 54.868 54.000 -0.006 0.000 0.901 27 D CB 0.018 40.877 40.800 0.099 0.000 1.026 27 D HN 0.825 nan 8.370 nan 0.000 0.515 28 G N 2.478 111.304 108.800 0.044 0.000 2.144 28 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 28 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 28 G C -0.014 174.431 174.900 -0.757 0.000 0.988 28 G CA 0.207 45.171 45.100 -0.226 0.000 0.659 28 G HN 0.594 nan 8.290 nan 0.000 0.522 29 F N -1.949 117.663 119.950 -0.564 0.000 2.773 29 F HA 0.803 5.330 4.527 -0.000 0.000 0.314 29 F C -1.232 174.576 175.800 0.013 0.000 1.160 29 F CA -2.411 55.332 58.000 -0.428 0.000 0.920 29 F CB 0.902 39.714 39.000 -0.314 0.000 1.323 29 F HN 0.055 nan 8.300 nan 0.000 0.457 30 I N 1.611 122.257 120.570 0.127 0.000 2.468 30 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 30 I C -0.864 175.328 176.117 0.124 0.000 1.039 30 I CA -0.508 60.824 61.300 0.054 0.000 1.074 30 I CB 1.913 39.962 38.000 0.082 0.000 1.228 30 I HN 0.739 nan 8.210 nan 0.000 0.436 31 E N 5.172 125.468 120.200 0.159 0.000 2.313 31 E HA 0.422 4.772 4.350 -0.000 0.000 0.276 31 E C -1.040 175.639 176.600 0.132 0.000 1.031 31 E CA -0.352 56.153 56.400 0.176 0.000 0.857 31 E CB 1.086 30.938 29.700 0.253 0.000 1.040 31 E HN 0.648 nan 8.360 nan 0.000 0.408 32 C N 2.558 121.929 119.300 0.118 0.000 3.017 32 C HA 0.734 5.194 4.460 -0.000 0.000 0.380 32 C C 0.822 175.892 174.990 0.133 0.000 1.583 32 C CA -0.579 58.535 59.018 0.161 0.000 1.616 32 C CB 0.931 28.731 27.740 0.100 0.000 2.145 32 C HN 0.911 nan 8.230 nan 0.000 0.466 33 G N -0.135 108.746 108.800 0.135 0.000 2.580 33 G HA2 0.419 4.379 3.960 -0.000 0.000 0.278 33 G HA3 0.419 4.379 3.960 -0.000 0.000 0.278 33 G C 0.151 175.100 174.900 0.083 0.000 1.212 33 G CA 0.341 45.495 45.100 0.090 0.000 0.939 33 G HN 1.070 nan 8.290 nan 0.000 0.513 34 N N -1.812 116.928 118.700 0.067 0.000 2.782 34 N HA -0.138 4.602 4.740 -0.000 0.000 0.251 34 N C 1.225 176.775 175.510 0.067 0.000 1.101 34 N CA 2.198 55.285 53.050 0.063 0.000 0.764 34 N CB -1.158 37.368 38.487 0.065 0.000 1.122 34 N HN 2.040 nan 8.380 nan 0.000 0.561 35 G N -1.522 107.319 108.800 0.068 0.000 2.160 35 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.251 35 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.251 35 G C -0.410 174.534 174.900 0.074 0.000 1.008 35 G CA 0.642 45.782 45.100 0.067 0.000 0.724 35 G HN 0.556 nan 8.290 nan 0.000 0.514 36 Q N -0.418 119.437 119.800 0.091 0.000 2.241 36 Q HA 0.655 4.995 4.340 -0.000 0.000 0.254 36 Q C -0.033 176.016 176.000 0.082 0.000 0.917 36 Q CA -0.492 55.384 55.803 0.122 0.000 0.919 36 Q CB 2.577 31.418 28.738 0.171 0.000 1.237 36 Q HN 0.285 nan 8.270 nan 0.000 0.434 37 V N 1.718 121.665 119.914 0.055 0.000 2.735 37 V HA 0.497 4.617 4.120 -0.000 0.000 0.310 37 V C -0.400 175.698 176.094 0.007 0.000 1.061 37 V CA -0.862 61.396 62.300 -0.070 0.000 0.913 37 V CB 2.348 33.931 31.823 -0.401 0.000 1.005 37 V HN 0.520 nan 8.190 nan 0.000 0.428 38 V N 2.752 122.662 119.914 -0.006 0.000 2.409 38 V HA 0.637 4.757 4.120 -0.000 0.000 0.291 38 V C 0.064 176.192 176.094 0.057 0.000 1.020 38 V CA -0.183 62.158 62.300 0.069 0.000 0.848 38 V CB 1.498 33.339 31.823 0.029 0.000 0.990 38 V HN 0.969 nan 8.190 nan 0.000 0.430 39 T N 3.918 118.491 114.554 0.032 0.000 2.807 39 T HA 0.847 5.197 4.350 -0.000 0.000 0.277 39 T C -1.655 173.135 174.700 0.150 0.000 1.006 39 T CA -0.447 61.603 62.100 -0.082 0.000 1.006 39 T CB 1.656 70.394 68.868 -0.217 0.000 1.274 39 T HN 0.870 nan 8.240 nan 0.000 0.569 40 W N -0.524 120.806 121.300 0.050 0.000 3.074 40 W HA 0.700 5.360 4.660 -0.000 0.000 0.332 40 W C -1.581 174.955 176.519 0.028 0.000 1.253 40 W CA -1.129 56.233 57.345 0.030 0.000 1.180 40 W CB 0.012 29.486 29.460 0.024 0.000 1.445 40 W HN 0.621 nan 8.180 nan 0.000 0.573 41 C N 1.931 121.408 119.300 0.295 0.000 2.398 41 C HA 0.655 5.115 4.460 -0.000 0.000 0.364 41 C C 0.360 175.534 174.990 0.306 0.000 1.219 41 C CA -0.412 58.724 59.018 0.197 0.000 2.312 41 C CB 0.170 27.960 27.740 0.083 0.000 2.428 41 C HN 0.514 nan 8.230 nan 0.000 0.564 42 I N 3.053 123.761 120.570 0.230 0.000 2.428 42 I HA 0.459 4.629 4.170 -0.000 0.000 0.279 42 I C 0.982 177.190 176.117 0.151 0.000 1.040 42 I CA 0.483 61.907 61.300 0.206 0.000 1.171 42 I CB 0.160 38.287 38.000 0.213 0.000 1.312 42 I HN 1.039 nan 8.210 nan 0.000 0.470 43 G N 5.052 113.940 108.800 0.147 0.000 2.581 43 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.291 43 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.291 43 G C -0.244 174.788 174.900 0.219 0.000 1.277 43 G CA -0.077 45.143 45.100 0.201 0.000 0.959 43 G HN 0.649 nan 8.290 nan 0.000 0.554 44 H N 0.101 119.195 119.070 0.041 0.000 2.610 44 H HA 0.513 5.069 4.556 -0.000 0.000 0.336 44 H C 1.344 176.680 175.328 0.013 0.000 1.087 44 H CA -0.297 55.766 56.048 0.024 0.000 1.405 44 H CB 0.901 30.674 29.762 0.018 0.000 1.460 44 H HN 0.423 nan 8.280 nan 0.000 0.538 45 L N 2.676 123.948 121.223 0.082 0.000 2.592 45 L HA 0.241 4.581 4.340 -0.000 0.000 0.227 45 L C -0.271 176.583 176.870 -0.028 0.000 1.127 45 L CA 0.449 55.306 54.840 0.028 0.000 0.884 45 L CB 0.024 42.085 42.059 0.003 0.000 1.065 45 L HN 0.276 nan 8.230 nan 0.000 0.457 46 L N -0.133 121.085 121.223 -0.008 0.000 2.466 46 L HA 0.441 4.781 4.340 -0.000 0.000 0.258 46 L C -0.812 176.067 176.870 0.014 0.000 0.973 46 L CA -0.550 54.239 54.840 -0.085 0.000 0.826 46 L CB 2.557 44.505 42.059 -0.185 0.000 1.372 46 L HN 0.018 nan 8.230 nan 0.000 0.409 47 E N 1.231 121.425 120.200 -0.009 0.000 2.392 47 E HA 0.421 4.771 4.350 -0.000 0.000 0.269 47 E C -1.454 175.165 176.600 0.033 0.000 0.924 47 E CA -1.135 55.288 56.400 0.038 0.000 0.784 47 E CB 1.705 31.435 29.700 0.050 0.000 1.292 47 E HN 0.289 nan 8.360 nan 0.000 0.447 48 Q N 0.570 120.403 119.800 0.054 0.000 2.300 48 Q HA 0.215 4.555 4.340 -0.000 0.000 0.280 48 Q C -0.081 175.960 176.000 0.068 0.000 1.033 48 Q CA 0.182 55.984 55.803 -0.002 0.000 0.903 48 Q CB 1.093 29.762 28.738 -0.115 0.000 1.195 48 Q HN 0.609 nan 8.270 nan 0.000 0.386 49 A N 4.084 126.929 122.820 0.041 0.000 2.425 49 A HA 0.098 4.418 4.320 -0.000 0.000 0.242 49 A C 0.317 178.068 177.584 0.278 0.000 1.077 49 A CA -0.368 51.710 52.037 0.068 0.000 0.781 49 A CB 0.365 19.292 19.000 -0.121 0.000 1.020 49 A HN 0.615 nan 8.150 nan 0.000 0.494 50 Q N 1.048 121.008 119.800 0.267 0.000 2.340 50 Q HA 0.149 4.489 4.340 -0.000 0.000 0.249 50 Q C -1.727 174.563 176.000 0.483 0.000 0.957 50 Q CA -1.712 54.331 55.803 0.400 0.000 0.882 50 Q CB -0.066 28.820 28.738 0.247 0.000 1.235 50 Q HN 0.439 nan 8.270 nan 0.000 0.439 51 P HA -0.261 nan 4.420 nan 0.000 0.217 51 P C 0.801 178.413 177.300 0.521 0.000 1.162 51 P CA 1.884 65.335 63.100 0.586 0.000 0.901 51 P CB 0.003 31.848 31.700 0.241 0.000 0.793 52 D N -0.512 120.092 120.400 0.340 0.000 2.315 52 D HA -0.181 4.458 4.640 -0.000 0.000 0.211 52 D C 1.566 177.940 176.300 0.122 0.000 0.977 52 D CA 1.404 55.542 54.000 0.231 0.000 0.894 52 D CB -0.612 40.288 40.800 0.166 0.000 0.910 52 D HN 0.177 nan 8.370 nan 0.000 0.490 53 A N -0.157 122.696 122.820 0.057 0.000 2.066 53 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 53 A C 1.636 179.054 177.584 -0.276 0.000 1.157 53 A CA 0.607 52.548 52.037 -0.161 0.000 0.670 53 A CB -0.612 18.207 19.000 -0.302 0.000 0.804 53 A HN 0.241 nan 8.150 nan 0.000 0.453 54 Y N -0.691 119.678 120.300 0.114 0.000 2.201 54 Y HA 0.148 4.698 4.550 -0.000 0.000 0.292 54 Y C 0.761 176.657 175.900 -0.005 0.000 1.119 54 Y CA 0.833 58.983 58.100 0.083 0.000 1.127 54 Y CB 0.381 38.943 38.460 0.170 0.000 1.019 54 Y HN 0.227 nan 8.280 nan 0.000 0.514 55 D N -1.521 118.912 120.400 0.054 0.000 2.936 55 D HA 0.191 4.830 4.640 -0.000 0.000 0.238 55 D C 0.369 176.560 176.300 -0.181 0.000 1.248 55 D CA -0.046 53.804 54.000 -0.249 0.000 0.903 55 D CB 2.183 42.519 40.800 -0.773 0.000 1.544 55 D HN -0.066 nan 8.370 nan 0.000 0.543 56 S N 2.630 118.267 115.700 -0.103 0.000 2.372 56 S HA -0.277 4.193 4.470 -0.000 0.000 0.227 56 S C 1.827 176.412 174.600 -0.024 0.000 1.044 56 S CA 1.847 60.026 58.200 -0.035 0.000 1.050 56 S CB -0.249 62.934 63.200 -0.029 0.000 0.901 56 S HN 0.703 nan 8.310 nan 0.000 0.447 57 R N 0.137 120.575 120.500 -0.103 0.000 2.211 57 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 57 R C 1.157 177.528 176.300 0.119 0.000 1.144 57 R CA 1.585 57.665 56.100 -0.033 0.000 0.992 57 R CB -0.680 29.573 30.300 -0.079 0.000 0.869 57 R HN 0.369 nan 8.270 nan 0.000 0.462 58 Y N 0.750 121.096 120.300 0.078 0.000 2.578 58 Y HA 0.226 4.776 4.550 -0.000 0.000 0.297 58 Y C 2.366 178.338 175.900 0.120 0.000 1.176 58 Y CA -0.364 57.786 58.100 0.083 0.000 1.315 58 Y CB -0.331 38.185 38.460 0.093 0.000 1.031 58 Y HN 0.263 nan 8.280 nan 0.000 0.524 59 A N 0.005 122.989 122.820 0.274 0.000 2.016 59 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 59 A C 1.466 179.233 177.584 0.304 0.000 1.162 59 A CA 0.117 52.310 52.037 0.260 0.000 0.662 59 A CB -0.337 18.769 19.000 0.176 0.000 0.812 59 A HN 0.162 nan 8.150 nan 0.000 0.450 60 R N 0.404 121.053 120.500 0.248 0.000 2.296 60 R HA 0.168 4.508 4.340 -0.000 0.000 0.323 60 R C -1.385 175.125 176.300 0.349 0.000 1.067 60 R CA -0.649 55.592 56.100 0.235 0.000 0.946 60 R CB -0.306 30.082 30.300 0.145 0.000 0.991 60 R HN 0.381 nan 8.270 nan 0.000 0.448 61 W N 4.996 126.304 121.300 0.013 0.000 2.381 61 W HA 0.150 4.810 4.660 -0.000 0.000 0.321 61 W C 0.072 176.581 176.519 -0.017 0.000 1.407 61 W CA -0.302 57.034 57.345 -0.015 0.000 1.274 61 W CB -0.514 28.928 29.460 -0.030 0.000 1.310 61 W HN 0.715 nan 8.180 nan 0.000 0.551 62 N N 0.810 119.599 118.700 0.149 0.000 2.494 62 N HA 0.411 5.151 4.740 -0.000 0.000 0.270 62 N C -0.186 175.323 175.510 -0.001 0.000 1.285 62 N CA -0.864 52.232 53.050 0.077 0.000 0.812 62 N CB 1.263 39.795 38.487 0.075 0.000 1.557 62 N HN 0.204 nan 8.380 nan 0.000 0.487 63 L N 0.187 121.401 121.223 -0.016 0.000 2.027 63 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 63 L C 2.495 179.332 176.870 -0.056 0.000 1.074 63 L CA 1.708 56.514 54.840 -0.057 0.000 0.745 63 L CB -0.645 41.382 42.059 -0.055 0.000 0.898 63 L HN 0.895 nan 8.230 nan 0.000 0.433 64 A N -0.094 122.714 122.820 -0.020 0.000 1.948 64 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 64 A C 1.830 179.411 177.584 -0.005 0.000 1.177 64 A CA 2.212 54.247 52.037 -0.005 0.000 0.636 64 A CB -0.574 18.437 19.000 0.019 0.000 0.815 64 A HN 0.409 nan 8.150 nan 0.000 0.449 65 D N -0.482 119.916 120.400 -0.003 0.000 2.348 65 D HA 0.065 4.705 4.640 -0.000 0.000 0.216 65 D C 0.509 176.717 176.300 -0.153 0.000 0.970 65 D CA 0.360 54.355 54.000 -0.008 0.000 0.889 65 D CB -0.145 40.690 40.800 0.059 0.000 0.912 65 D HN 0.414 nan 8.370 nan 0.000 0.524 66 L N 2.416 123.532 121.223 -0.178 0.000 2.326 66 L HA 0.280 4.620 4.340 -0.000 0.000 0.278 66 L C -2.110 174.601 176.870 -0.266 0.000 1.092 66 L CA -1.721 52.961 54.840 -0.262 0.000 0.810 66 L CB 0.973 42.879 42.059 -0.255 0.000 1.153 66 L HN -0.216 nan 8.230 nan 0.000 0.439 67 P HA 0.295 nan 4.420 nan 0.000 0.286 67 P C -0.731 176.327 177.300 -0.404 0.000 1.261 67 P CA -0.409 62.413 63.100 -0.463 0.000 0.821 67 P CB 1.279 32.586 31.700 -0.654 0.000 1.013 68 I N 2.273 122.599 120.570 -0.407 0.000 2.291 68 I HA 0.181 4.351 4.170 -0.000 0.000 0.292 68 I C -0.154 175.823 176.117 -0.234 0.000 1.064 68 I CA -0.569 60.487 61.300 -0.407 0.000 1.269 68 I CB 0.852 38.489 38.000 -0.605 0.000 1.418 68 I HN -0.034 nan 8.210 nan 0.000 0.485 69 V N 8.322 128.122 119.914 -0.190 0.000 2.325 69 V HA 0.295 4.415 4.120 -0.000 0.000 0.280 69 V C -2.078 173.804 176.094 -0.353 0.000 1.016 69 V CA -1.662 60.533 62.300 -0.175 0.000 0.818 69 V CB 1.018 32.828 31.823 -0.021 0.000 1.019 69 V HN 0.581 nan 8.190 nan 0.000 0.434 70 P HA 0.136 nan 4.420 nan 0.000 0.266 70 P C 0.576 177.473 177.300 -0.672 0.000 1.195 70 P CA 0.083 62.538 63.100 -1.075 0.000 0.768 70 P CB 1.310 31.760 31.700 -2.084 0.000 0.838 71 E N 2.294 122.280 120.200 -0.357 0.000 2.045 71 E HA -0.007 4.343 4.350 -0.000 0.000 0.190 71 E C 0.377 176.912 176.600 -0.108 0.000 0.968 71 E CA 1.189 57.496 56.400 -0.156 0.000 0.813 71 E CB 0.064 29.736 29.700 -0.047 0.000 0.780 71 E HN 0.274 nan 8.360 nan 0.000 0.455 72 K N 0.137 120.500 120.400 -0.061 0.000 2.293 72 K HA 0.144 4.464 4.320 -0.000 0.000 0.267 72 K C -1.200 175.449 176.600 0.081 0.000 1.010 72 K CA -0.506 55.810 56.287 0.049 0.000 0.875 72 K CB 0.328 32.879 32.500 0.084 0.000 1.106 72 K HN -0.055 nan 8.250 nan 0.000 0.450 73 W N 2.900 124.261 121.300 0.102 0.000 2.190 73 W HA 0.110 4.770 4.660 -0.000 0.000 0.330 73 W C 0.413 177.018 176.519 0.143 0.000 1.299 73 W CA 0.016 57.428 57.345 0.113 0.000 1.215 73 W CB 0.691 30.156 29.460 0.008 0.000 1.147 73 W HN 0.397 nan 8.180 nan 0.000 0.563 74 Q N 2.375 122.429 119.800 0.423 0.000 2.377 74 Q HA 0.618 4.958 4.340 -0.000 0.000 0.271 74 Q C -0.861 175.218 176.000 0.132 0.000 1.077 74 Q CA -1.021 54.884 55.803 0.170 0.000 0.820 74 Q CB 2.217 30.885 28.738 -0.117 0.000 1.347 74 Q HN 0.353 nan 8.270 nan 0.000 0.444 75 L N 1.926 123.213 121.223 0.105 0.000 2.330 75 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 75 L C -0.436 176.422 176.870 -0.020 0.000 1.013 75 L CA -0.763 54.091 54.840 0.024 0.000 0.816 75 L CB 1.844 43.892 42.059 -0.018 0.000 1.287 75 L HN 0.587 nan 8.230 nan 0.000 0.435 76 Q N 1.948 121.707 119.800 -0.069 0.000 2.375 76 Q HA 0.564 4.904 4.340 -0.000 0.000 0.271 76 Q C -2.871 173.044 176.000 -0.140 0.000 1.074 76 Q CA -2.196 53.563 55.803 -0.074 0.000 0.808 76 Q CB 2.487 31.216 28.738 -0.015 0.000 1.327 76 Q HN 0.205 nan 8.270 nan 0.000 0.441 77 P HA 0.066 nan 4.420 nan 0.000 0.269 77 P C -0.901 176.372 177.300 -0.045 0.000 1.209 77 P CA -0.084 62.936 63.100 -0.133 0.000 0.776 77 P CB 0.457 32.115 31.700 -0.069 0.000 0.876 78 R N 4.803 125.290 120.500 -0.023 0.000 2.370 78 R HA 0.113 4.453 4.340 -0.000 0.000 0.309 78 R C -1.489 174.822 176.300 0.019 0.000 1.059 78 R CA -1.266 54.842 56.100 0.013 0.000 0.981 78 R CB 0.096 30.416 30.300 0.034 0.000 0.972 78 R HN 0.381 nan 8.270 nan 0.000 0.437 79 P HA -0.115 nan 4.420 nan 0.000 0.219 79 P C 0.630 177.946 177.300 0.028 0.000 1.150 79 P CA 1.056 64.170 63.100 0.024 0.000 0.814 79 P CB 0.289 32.006 31.700 0.027 0.000 0.787 80 S N -0.870 114.849 115.700 0.033 0.000 2.453 80 S HA -0.048 4.422 4.470 -0.000 0.000 0.231 80 S C 1.500 176.126 174.600 0.043 0.000 1.005 80 S CA 1.095 59.317 58.200 0.037 0.000 0.949 80 S CB -1.267 61.956 63.200 0.039 0.000 0.774 80 S HN 0.172 nan 8.310 nan 0.000 0.510 81 V N -0.034 119.907 119.914 0.044 0.000 3.176 81 V HA 0.299 4.419 4.120 -0.000 0.000 0.332 81 V C 1.734 177.851 176.094 0.039 0.000 1.414 81 V CA 0.203 62.535 62.300 0.052 0.000 1.133 81 V CB -1.044 30.819 31.823 0.068 0.000 1.088 81 V HN 0.498 nan 8.190 nan 0.000 0.473 82 T N -2.171 112.401 114.554 0.030 0.000 2.849 82 T HA -0.248 4.102 4.350 -0.000 0.000 0.270 82 T C 1.662 176.374 174.700 0.019 0.000 1.066 82 T CA 1.949 64.063 62.100 0.023 0.000 1.130 82 T CB -0.288 68.593 68.868 0.022 0.000 0.864 82 T HN 0.594 nan 8.240 nan 0.000 0.481 83 K N 0.743 121.157 120.400 0.023 0.000 2.009 83 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 83 K C 2.646 179.251 176.600 0.008 0.000 1.049 83 K CA 1.753 58.050 56.287 0.017 0.000 0.929 83 K CB -0.275 32.242 32.500 0.029 0.000 0.714 83 K HN 0.285 nan 8.250 nan 0.000 0.440 84 Q N 0.908 120.717 119.800 0.015 0.000 2.135 84 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 84 Q C 1.940 177.929 176.000 -0.018 0.000 0.981 84 Q CA 1.436 57.231 55.803 -0.012 0.000 0.856 84 Q CB -0.398 28.345 28.738 0.009 0.000 0.902 84 Q HN 0.354 nan 8.270 nan 0.000 0.425 85 L N 0.592 121.817 121.223 0.003 0.000 2.012 85 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 85 L C 1.491 178.368 176.870 0.010 0.000 1.073 85 L CA 1.972 56.820 54.840 0.013 0.000 0.748 85 L CB -0.812 41.261 42.059 0.023 0.000 0.891 85 L HN 0.290 nan 8.230 nan 0.000 0.431 86 N N -0.959 117.738 118.700 -0.005 0.000 2.396 86 N HA -0.083 4.657 4.740 -0.000 0.000 0.180 86 N C 1.842 177.305 175.510 -0.079 0.000 1.028 86 N CA 1.280 54.309 53.050 -0.036 0.000 0.893 86 N CB -0.062 38.401 38.487 -0.040 0.000 0.967 86 N HN 0.281 nan 8.380 nan 0.000 0.440 87 V N 1.891 121.768 119.914 -0.062 0.000 2.307 87 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 87 V C 2.317 178.396 176.094 -0.026 0.000 1.045 87 V CA 1.194 63.445 62.300 -0.081 0.000 1.024 87 V CB -0.351 31.457 31.823 -0.025 0.000 0.651 87 V HN 0.175 nan 8.190 nan 0.000 0.449 88 I N -0.150 120.429 120.570 0.015 0.000 2.127 88 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 88 I C 2.601 178.753 176.117 0.059 0.000 1.075 88 I CA 1.982 63.319 61.300 0.063 0.000 1.334 88 I CB -0.545 37.467 38.000 0.021 0.000 1.040 88 I HN 0.273 nan 8.210 nan 0.000 0.405 89 K N 1.211 121.626 120.400 0.026 0.000 2.059 89 K HA -0.300 4.020 4.320 -0.000 0.000 0.212 89 K C 2.378 178.960 176.600 -0.030 0.000 1.050 89 K CA 1.918 58.229 56.287 0.039 0.000 0.927 89 K CB -0.207 32.287 32.500 -0.009 0.000 0.714 89 K HN 0.193 nan 8.250 nan 0.000 0.447 90 R N -0.367 120.023 120.500 -0.184 0.000 2.094 90 R HA -0.176 4.164 4.340 -0.000 0.000 0.239 90 R C 2.119 178.236 176.300 -0.306 0.000 1.137 90 R CA 2.153 58.038 56.100 -0.358 0.000 0.943 90 R CB -0.396 29.567 30.300 -0.563 0.000 0.850 90 R HN 0.192 nan 8.270 nan 0.000 0.433 91 F N 0.312 120.194 119.950 -0.114 0.000 2.367 91 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 91 F C 2.032 177.813 175.800 -0.032 0.000 1.094 91 F CA 0.313 58.251 58.000 -0.103 0.000 1.409 91 F CB -0.303 38.603 39.000 -0.156 0.000 1.064 91 F HN 0.069 nan 8.300 nan 0.000 0.528 92 L N -0.494 120.831 121.223 0.171 0.000 2.083 92 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 92 L C 2.222 179.148 176.870 0.092 0.000 1.083 92 L CA 1.934 56.844 54.840 0.117 0.000 0.752 92 L CB -0.841 41.284 42.059 0.110 0.000 0.899 92 L HN 0.087 nan 8.230 nan 0.000 0.433 93 H N -1.064 117.988 119.070 -0.029 0.000 2.423 93 H HA -0.048 4.508 4.556 -0.000 0.000 0.297 93 H C 2.122 177.431 175.328 -0.030 0.000 1.075 93 H CA 1.358 57.382 56.048 -0.041 0.000 1.342 93 H CB 0.129 29.852 29.762 -0.065 0.000 1.395 93 H HN 0.429 nan 8.280 nan 0.000 0.530 94 E N -0.069 120.190 120.200 0.098 0.000 2.158 94 E HA 0.134 4.484 4.350 -0.000 0.000 0.191 94 E C 0.756 177.390 176.600 0.057 0.000 0.982 94 E CA 0.346 56.785 56.400 0.064 0.000 0.823 94 E CB 0.290 30.034 29.700 0.073 0.000 0.766 94 E HN 0.351 nan 8.360 nan 0.000 0.468 95 A N 0.504 123.358 122.820 0.057 0.000 2.271 95 A HA 0.277 4.597 4.320 -0.000 0.000 0.288 95 A C 0.887 178.470 177.584 -0.002 0.000 1.094 95 A CA -0.097 51.957 52.037 0.029 0.000 0.828 95 A CB 0.868 19.881 19.000 0.022 0.000 1.091 95 A HN 0.146 nan 8.150 nan 0.000 0.493 96 S N -0.705 114.988 115.700 -0.012 0.000 2.554 96 S HA 0.234 4.704 4.470 -0.000 0.000 0.227 96 S C 0.161 174.738 174.600 -0.037 0.000 1.050 96 S CA -0.104 58.083 58.200 -0.023 0.000 0.927 96 S CB 0.065 63.257 63.200 -0.014 0.000 0.859 96 S HN 0.710 nan 8.310 nan 0.000 0.494 97 E N 1.271 121.442 120.200 -0.050 0.000 2.210 97 E HA 0.564 4.914 4.350 -0.000 0.000 0.266 97 E C -1.396 175.132 176.600 -0.120 0.000 0.883 97 E CA -0.686 55.666 56.400 -0.080 0.000 0.761 97 E CB 1.754 31.404 29.700 -0.084 0.000 1.156 97 E HN 0.164 nan 8.360 nan 0.000 0.412 98 I N 2.579 123.069 120.570 -0.132 0.000 2.498 98 I HA 0.309 4.479 4.170 -0.000 0.000 0.290 98 I C -0.544 175.453 176.117 -0.199 0.000 1.032 98 I CA -0.881 60.325 61.300 -0.157 0.000 1.073 98 I CB 1.851 39.797 38.000 -0.090 0.000 1.251 98 I HN 0.282 nan 8.210 nan 0.000 0.426 99 V N 5.286 125.018 119.914 -0.302 0.000 2.357 99 V HA 0.223 4.343 4.120 -0.000 0.000 0.284 99 V C 0.115 176.167 176.094 -0.070 0.000 1.018 99 V CA -0.718 61.422 62.300 -0.265 0.000 0.841 99 V CB 1.335 32.800 31.823 -0.597 0.000 0.991 99 V HN 0.601 nan 8.190 nan 0.000 0.437 100 H N 5.002 124.000 119.070 -0.120 0.000 3.017 100 H HA 0.398 4.954 4.556 -0.000 0.000 0.276 100 H C 0.293 175.576 175.328 -0.076 0.000 1.062 100 H CA 0.024 56.018 56.048 -0.091 0.000 1.486 100 H CB 1.251 30.942 29.762 -0.119 0.000 1.507 100 H HN 0.703 nan 8.280 nan 0.000 0.508 101 A N 5.089 128.066 122.820 0.262 0.000 2.855 101 A HA 0.385 4.705 4.320 -0.000 0.000 0.301 101 A C 1.142 178.824 177.584 0.165 0.000 1.076 101 A CA -0.030 52.125 52.037 0.197 0.000 1.004 101 A CB -0.240 18.884 19.000 0.207 0.000 1.152 101 A HN 0.775 nan 8.150 nan 0.000 0.531 102 G N -0.510 108.460 108.800 0.282 0.000 2.651 102 G HA2 0.365 4.325 3.960 -0.000 0.000 0.260 102 G HA3 0.365 4.325 3.960 -0.000 0.000 0.260 102 G C -0.476 174.441 174.900 0.028 0.000 1.216 102 G CA -0.326 44.869 45.100 0.158 0.000 0.913 102 G HN 0.323 nan 8.290 nan 0.000 0.535 103 D N 0.482 120.871 120.400 -0.019 0.000 2.478 103 D HA 0.080 4.720 4.640 -0.000 0.000 0.234 103 D C -1.473 174.690 176.300 -0.228 0.000 1.154 103 D CA -0.521 53.379 54.000 -0.165 0.000 0.874 103 D CB 1.083 41.835 40.800 -0.081 0.000 1.198 103 D HN 0.084 nan 8.370 nan 0.000 0.455 104 P HA 0.040 nan 4.420 nan 0.000 0.238 104 P C -0.922 176.327 177.300 -0.085 0.000 1.714 104 P CA 0.006 62.965 63.100 -0.235 0.000 0.908 104 P CB -0.050 31.499 31.700 -0.251 0.000 1.893 105 D N -2.080 118.276 120.400 -0.073 0.000 2.825 105 D HA 0.206 4.846 4.640 -0.000 0.000 0.327 105 D C 1.218 177.542 176.300 0.039 0.000 1.277 105 D CA -0.953 53.058 54.000 0.019 0.000 0.950 105 D CB 0.640 41.355 40.800 -0.140 0.000 1.438 105 D HN -0.285 nan 8.370 nan 0.000 0.526 106 R N -0.557 119.981 120.500 0.062 0.000 2.080 106 R HA -0.091 4.249 4.340 -0.000 0.000 0.236 106 R C 1.623 177.946 176.300 0.038 0.000 1.137 106 R CA 1.423 57.553 56.100 0.051 0.000 0.943 106 R CB -0.227 30.099 30.300 0.044 0.000 0.846 106 R HN 0.499 nan 8.270 nan 0.000 0.431 107 E N -0.189 120.035 120.200 0.039 0.000 2.077 107 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 107 E C 2.097 178.709 176.600 0.020 0.000 0.989 107 E CA 1.507 57.934 56.400 0.045 0.000 0.800 107 E CB -0.504 29.239 29.700 0.071 0.000 0.746 107 E HN 0.509 nan 8.360 nan 0.000 0.452 108 G N 1.001 109.815 108.800 0.022 0.000 2.442 108 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 108 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 108 G C 1.631 176.584 174.900 0.088 0.000 1.141 108 G CA 1.076 46.190 45.100 0.025 0.000 0.763 108 G HN 0.232 nan 8.290 nan 0.000 0.554 109 Q N -0.131 119.703 119.800 0.057 0.000 2.020 109 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 109 Q C 2.383 178.497 176.000 0.190 0.000 0.982 109 Q CA 1.346 57.208 55.803 0.099 0.000 0.838 109 Q CB -0.609 28.142 28.738 0.023 0.000 0.899 109 Q HN 0.375 nan 8.270 nan 0.000 0.423 110 L N -0.213 121.053 121.223 0.073 0.000 2.131 110 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 110 L C 2.056 178.914 176.870 -0.019 0.000 1.092 110 L CA 1.324 56.184 54.840 0.033 0.000 0.759 110 L CB -0.732 41.337 42.059 0.016 0.000 0.903 110 L HN 0.444 nan 8.230 nan 0.000 0.435 111 L N -1.333 119.847 121.223 -0.071 0.000 2.043 111 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 111 L C 2.167 178.941 176.870 -0.159 0.000 1.075 111 L CA 2.060 56.788 54.840 -0.186 0.000 0.752 111 L CB -0.482 41.444 42.059 -0.222 0.000 0.891 111 L HN 0.142 nan 8.230 nan 0.000 0.432 112 V N -1.397 118.398 119.914 -0.198 0.000 2.825 112 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 112 V C 2.063 178.020 176.094 -0.229 0.000 1.068 112 V CA 1.061 63.144 62.300 -0.362 0.000 1.088 112 V CB -0.469 30.787 31.823 -0.945 0.000 0.733 112 V HN 0.314 nan 8.190 nan 0.000 0.468 113 D N 0.637 120.990 120.400 -0.079 0.000 2.117 113 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 113 D C 2.194 178.499 176.300 0.010 0.000 0.987 113 D CA 1.258 55.269 54.000 0.019 0.000 0.829 113 D CB -0.067 40.790 40.800 0.096 0.000 0.961 113 D HN 0.494 nan 8.370 nan 0.000 0.460 114 E N -0.028 120.171 120.200 -0.001 0.000 2.097 114 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 114 E C 2.194 178.819 176.600 0.043 0.000 1.000 114 E CA 0.795 57.205 56.400 0.015 0.000 0.804 114 E CB 0.096 29.789 29.700 -0.011 0.000 0.740 114 E HN 0.114 nan 8.360 nan 0.000 0.454 115 V N 1.219 121.135 119.914 0.003 0.000 2.358 115 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 115 V C 2.246 178.379 176.094 0.066 0.000 1.047 115 V CA 1.360 63.680 62.300 0.033 0.000 1.035 115 V CB -0.362 31.448 31.823 -0.020 0.000 0.658 115 V HN 0.260 nan 8.190 nan 0.000 0.452 116 L N -0.401 120.833 121.223 0.019 0.000 2.093 116 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 116 L C 2.304 179.197 176.870 0.039 0.000 1.085 116 L CA 1.444 56.294 54.840 0.018 0.000 0.755 116 L CB -0.568 41.488 42.059 -0.005 0.000 0.904 116 L HN 0.313 nan 8.230 nan 0.000 0.435 117 D N -0.884 119.552 120.400 0.060 0.000 2.162 117 D HA -0.193 4.447 4.640 -0.000 0.000 0.203 117 D C 1.966 178.316 176.300 0.084 0.000 0.967 117 D CA 0.886 54.924 54.000 0.062 0.000 0.840 117 D CB 0.088 40.927 40.800 0.064 0.000 0.972 117 D HN 0.249 nan 8.370 nan 0.000 0.482 118 Y N 1.007 121.309 120.300 0.002 0.000 2.163 118 Y HA -0.030 4.520 4.550 -0.000 0.000 0.288 118 Y C 1.737 177.643 175.900 0.010 0.000 1.136 118 Y CA 1.298 59.404 58.100 0.008 0.000 1.147 118 Y CB -0.212 38.255 38.460 0.010 0.000 0.987 118 Y HN -0.097 nan 8.280 nan 0.000 0.509 119 L N 1.458 122.726 121.223 0.075 0.000 2.737 119 L HA -0.083 4.257 4.340 -0.000 0.000 0.246 119 L C 0.486 177.324 176.870 -0.052 0.000 1.153 119 L CA 0.527 55.367 54.840 -0.000 0.000 0.920 119 L CB -0.645 41.472 42.059 0.096 0.000 1.090 119 L HN 0.347 nan 8.230 nan 0.000 0.430 120 Q N 0.352 120.105 119.800 -0.079 0.000 2.435 120 Q HA -0.225 4.115 4.340 -0.000 0.000 0.286 120 Q C 0.109 176.061 176.000 -0.080 0.000 1.229 120 Q CA 0.567 56.322 55.803 -0.081 0.000 0.884 120 Q CB -1.484 27.191 28.738 -0.106 0.000 1.245 120 Q HN 0.384 nan 8.270 nan 0.000 0.488 121 L N 0.405 121.588 121.223 -0.067 0.000 2.578 121 L HA 0.171 4.511 4.340 -0.000 0.000 0.279 121 L C 0.514 177.331 176.870 -0.089 0.000 1.227 121 L CA 1.085 55.869 54.840 -0.094 0.000 0.900 121 L CB 0.464 42.487 42.059 -0.060 0.000 1.144 121 L HN 0.287 nan 8.230 nan 0.000 0.496 122 A N 6.745 129.493 122.820 -0.121 0.000 2.591 122 A HA 0.139 4.459 4.320 -0.000 0.000 0.244 122 A C -1.406 176.143 177.584 -0.058 0.000 1.031 122 A CA -0.221 51.761 52.037 -0.091 0.000 0.767 122 A CB -0.672 18.267 19.000 -0.103 0.000 0.942 122 A HN 0.843 nan 8.150 nan 0.000 0.514 123 P HA -0.194 nan 4.420 nan 0.000 0.218 123 P C 1.411 178.697 177.300 -0.023 0.000 1.148 123 P CA 1.481 64.568 63.100 -0.021 0.000 0.822 123 P CB 0.161 31.855 31.700 -0.009 0.000 0.784 124 E N 1.008 121.191 120.200 -0.029 0.000 2.150 124 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 124 E C 1.555 178.134 176.600 -0.034 0.000 0.985 124 E CA 1.347 57.730 56.400 -0.029 0.000 0.814 124 E CB -0.850 28.834 29.700 -0.027 0.000 0.752 124 E HN 0.241 nan 8.360 nan 0.000 0.466 125 K N 0.507 120.883 120.400 -0.040 0.000 2.097 125 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 125 K C 2.478 179.055 176.600 -0.039 0.000 1.050 125 K CA 0.941 57.203 56.287 -0.043 0.000 0.938 125 K CB -0.120 32.348 32.500 -0.052 0.000 0.718 125 K HN 0.045 nan 8.250 nan 0.000 0.442 126 R N 1.462 121.941 120.500 -0.035 0.000 2.096 126 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 126 R C 1.576 177.853 176.300 -0.038 0.000 1.127 126 R CA 1.537 57.620 56.100 -0.029 0.000 0.968 126 R CB 0.039 30.328 30.300 -0.018 0.000 0.861 126 R HN 0.221 nan 8.270 nan 0.000 0.440 127 Q N -0.464 119.308 119.800 -0.047 0.000 2.482 127 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 127 Q C 0.829 176.802 176.000 -0.046 0.000 0.961 127 Q CA 0.732 56.497 55.803 -0.063 0.000 0.945 127 Q CB 0.549 29.247 28.738 -0.068 0.000 1.012 127 Q HN 0.395 nan 8.270 nan 0.000 0.515 128 Q N -0.842 118.935 119.800 -0.038 0.000 2.164 128 Q HA 0.158 4.498 4.340 -0.000 0.000 0.226 128 Q C -0.575 175.403 176.000 -0.037 0.000 0.813 128 Q CA -0.237 55.545 55.803 -0.034 0.000 0.978 128 Q CB 1.473 30.191 28.738 -0.034 0.000 1.149 128 Q HN 0.070 nan 8.270 nan 0.000 0.489 129 V N 2.844 122.739 119.914 -0.032 0.000 2.599 129 V HA -0.068 4.052 4.120 -0.000 0.000 0.300 129 V C 0.467 176.548 176.094 -0.022 0.000 1.034 129 V CA 0.532 62.814 62.300 -0.029 0.000 1.115 129 V CB 0.532 32.352 31.823 -0.005 0.000 0.934 129 V HN 0.243 nan 8.190 nan 0.000 0.485 130 Q N 3.359 123.132 119.800 -0.046 0.000 2.215 130 Q HA 0.615 4.955 4.340 -0.000 0.000 0.256 130 Q C -0.379 175.591 176.000 -0.050 0.000 0.972 130 Q CA -0.943 54.835 55.803 -0.042 0.000 0.889 130 Q CB 2.092 30.787 28.738 -0.073 0.000 1.281 130 Q HN 0.603 nan 8.270 nan 0.000 0.456 131 R N -0.118 120.339 120.500 -0.073 0.000 2.711 131 R HA 0.526 4.866 4.340 -0.000 0.000 0.284 131 R C -1.680 174.542 176.300 -0.130 0.000 0.968 131 R CA -0.418 55.558 56.100 -0.207 0.000 0.924 131 R CB 1.407 31.405 30.300 -0.504 0.000 1.162 131 R HN 0.726 nan 8.270 nan 0.000 0.465 132 C N 6.274 125.497 119.300 -0.129 0.000 2.478 132 C HA 0.503 4.963 4.460 -0.000 0.000 0.334 132 C C -1.304 173.653 174.990 -0.054 0.000 1.106 132 C CA -0.804 58.203 59.018 -0.018 0.000 1.363 132 C CB -0.190 27.614 27.740 0.108 0.000 1.941 132 C HN 0.796 nan 8.230 nan 0.000 0.436 133 L N 7.355 128.554 121.223 -0.040 0.000 2.287 133 L HA 0.488 4.828 4.340 -0.000 0.000 0.280 133 L C -0.191 176.681 176.870 0.003 0.000 1.055 133 L CA -0.030 54.781 54.840 -0.048 0.000 0.863 133 L CB 0.416 42.461 42.059 -0.023 0.000 1.245 133 L HN 0.558 nan 8.230 nan 0.000 0.432 134 I N 3.207 123.768 120.570 -0.014 0.000 2.315 134 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 134 I C 0.884 177.021 176.117 0.034 0.000 1.006 134 I CA 0.117 61.437 61.300 0.033 0.000 1.265 134 I CB 0.838 38.858 38.000 0.034 0.000 1.387 134 I HN 0.581 nan 8.210 nan 0.000 0.475 135 N N 3.867 122.638 118.700 0.117 0.000 2.171 135 N HA 0.085 4.824 4.740 -0.000 0.000 0.212 135 N C -0.598 175.134 175.510 0.371 0.000 1.184 135 N CA 0.198 53.342 53.050 0.156 0.000 0.888 135 N CB 0.942 39.455 38.487 0.043 0.000 1.038 135 N HN 0.576 nan 8.380 nan 0.000 0.517 136 D N 0.361 120.954 120.400 0.321 0.000 2.891 136 D HA 0.192 4.832 4.640 -0.000 0.000 0.224 136 D C 0.207 176.567 176.300 0.100 0.000 1.321 136 D CA -0.422 53.746 54.000 0.280 0.000 0.929 136 D CB 1.538 42.485 40.800 0.246 0.000 1.551 136 D HN -0.150 nan 8.370 nan 0.000 0.574 137 L N 2.261 123.456 121.223 -0.047 0.000 2.591 137 L HA 0.162 4.502 4.340 -0.000 0.000 0.228 137 L C 1.081 177.907 176.870 -0.074 0.000 1.133 137 L CA 0.013 54.773 54.840 -0.134 0.000 0.880 137 L CB -0.185 41.684 42.059 -0.317 0.000 1.033 137 L HN 0.256 nan 8.230 nan 0.000 0.450 138 N N 0.853 119.539 118.700 -0.022 0.000 2.492 138 N HA 0.021 4.761 4.740 -0.000 0.000 0.260 138 N C -1.641 173.865 175.510 -0.006 0.000 1.215 138 N CA -0.845 52.199 53.050 -0.010 0.000 0.923 138 N CB 1.083 39.581 38.487 0.018 0.000 1.092 138 N HN -0.165 nan 8.380 nan 0.000 0.448 139 P HA -0.208 nan 4.420 nan 0.000 0.215 139 P C 1.406 178.707 177.300 0.001 0.000 1.157 139 P CA 1.422 64.514 63.100 -0.014 0.000 0.874 139 P CB 0.224 31.918 31.700 -0.011 0.000 0.790 140 Q N -0.246 119.560 119.800 0.010 0.000 2.133 140 Q HA -0.257 4.083 4.340 -0.000 0.000 0.208 140 Q C 1.959 177.974 176.000 0.026 0.000 0.991 140 Q CA 2.502 58.316 55.803 0.017 0.000 0.867 140 Q CB -0.804 27.945 28.738 0.018 0.000 0.911 140 Q HN 0.150 nan 8.270 nan 0.000 0.417 141 A N -0.578 122.262 122.820 0.034 0.000 1.968 141 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 141 A C 2.138 179.753 177.584 0.052 0.000 1.169 141 A CA 1.188 53.258 52.037 0.055 0.000 0.638 141 A CB -0.282 18.766 19.000 0.081 0.000 0.812 141 A HN 0.306 nan 8.150 nan 0.000 0.446 142 V N -0.061 119.867 119.914 0.024 0.000 2.453 142 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 142 V C 2.313 178.413 176.094 0.010 0.000 1.048 142 V CA 2.001 64.305 62.300 0.006 0.000 1.049 142 V CB -0.768 31.033 31.823 -0.037 0.000 0.672 142 V HN 0.604 nan 8.190 nan 0.000 0.457 143 E N 0.177 120.383 120.200 0.010 0.000 2.038 143 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 143 E C 2.434 179.059 176.600 0.042 0.000 1.000 143 E CA 1.736 58.148 56.400 0.021 0.000 0.803 143 E CB -0.227 29.484 29.700 0.019 0.000 0.750 143 E HN 0.428 nan 8.360 nan 0.000 0.448 144 R N 0.497 121.025 120.500 0.048 0.000 2.091 144 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 144 R C 2.262 178.606 176.300 0.074 0.000 1.136 144 R CA 1.461 57.598 56.100 0.062 0.000 0.959 144 R CB -0.276 30.064 30.300 0.068 0.000 0.856 144 R HN 0.169 nan 8.270 nan 0.000 0.437 145 A N 0.885 123.750 122.820 0.075 0.000 1.892 145 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 145 A C 2.167 179.804 177.584 0.089 0.000 1.188 145 A CA 1.782 53.868 52.037 0.082 0.000 0.631 145 A CB -0.558 18.485 19.000 0.072 0.000 0.822 145 A HN 0.402 nan 8.150 nan 0.000 0.447 146 I N -0.373 120.252 120.570 0.092 0.000 2.286 146 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 146 I C 1.601 177.780 176.117 0.102 0.000 1.104 146 I CA 1.269 62.646 61.300 0.127 0.000 1.397 146 I CB -0.436 37.643 38.000 0.132 0.000 1.072 146 I HN 0.183 nan 8.210 nan 0.000 0.417 147 D N 1.007 121.454 120.400 0.079 0.000 2.265 147 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 147 D C 1.418 177.757 176.300 0.066 0.000 0.977 147 D CA 1.111 55.151 54.000 0.067 0.000 0.871 147 D CB -0.116 40.718 40.800 0.057 0.000 0.925 147 D HN 0.309 nan 8.370 nan 0.000 0.485 148 R N -0.090 120.454 120.500 0.073 0.000 2.700 148 R HA 0.273 4.613 4.340 -0.000 0.000 0.377 148 R C -0.079 176.266 176.300 0.074 0.000 1.130 148 R CA -0.317 55.827 56.100 0.073 0.000 1.055 148 R CB 0.449 30.798 30.300 0.082 0.000 1.387 148 R HN 0.076 nan 8.270 nan 0.000 0.580 149 L N 1.466 122.729 121.223 0.067 0.000 2.485 149 L HA 0.122 4.462 4.340 -0.000 0.000 0.275 149 L C 0.723 177.630 176.870 0.062 0.000 1.207 149 L CA 0.645 55.518 54.840 0.056 0.000 0.855 149 L CB 0.180 42.260 42.059 0.035 0.000 1.114 149 L HN 0.086 nan 8.230 nan 0.000 0.485 150 R N 0.885 121.435 120.500 0.084 0.000 2.888 150 R HA 0.409 4.749 4.340 -0.000 0.000 0.266 150 R C -0.746 175.626 176.300 0.120 0.000 1.020 150 R CA -0.898 55.274 56.100 0.120 0.000 0.963 150 R CB 2.073 32.499 30.300 0.211 0.000 1.197 150 R HN 0.560 nan 8.270 nan 0.000 0.481 151 S N 1.632 117.393 115.700 0.103 0.000 2.498 151 S HA -0.037 4.433 4.470 -0.000 0.000 0.281 151 S C 0.986 175.684 174.600 0.163 0.000 1.265 151 S CA -0.294 57.953 58.200 0.079 0.000 1.071 151 S CB 0.598 63.816 63.200 0.030 0.000 0.894 151 S HN 0.562 nan 8.310 nan 0.000 0.491 152 N N 3.289 122.060 118.700 0.118 0.000 2.348 152 N HA -0.156 4.584 4.740 -0.000 0.000 0.185 152 N C 1.816 177.434 175.510 0.180 0.000 1.019 152 N CA 1.429 54.574 53.050 0.158 0.000 0.880 152 N CB -0.313 38.208 38.487 0.057 0.000 0.965 152 N HN 0.693 nan 8.380 nan 0.000 0.437 153 S N -0.255 115.488 115.700 0.073 0.000 2.420 153 S HA -0.164 4.306 4.470 -0.000 0.000 0.237 153 S C 1.524 176.125 174.600 0.002 0.000 1.023 153 S CA 1.071 59.272 58.200 0.001 0.000 0.991 153 S CB -0.483 62.676 63.200 -0.068 0.000 0.792 153 S HN 0.451 nan 8.310 nan 0.000 0.488 154 E N 0.057 120.260 120.200 0.005 0.000 2.418 154 E HA 0.028 4.378 4.350 -0.000 0.000 0.197 154 E C 0.479 176.868 176.600 -0.352 0.000 1.026 154 E CA 0.697 56.986 56.400 -0.185 0.000 0.862 154 E CB -0.197 29.327 29.700 -0.294 0.000 0.799 154 E HN 0.701 nan 8.360 nan 0.000 0.518 155 F N -0.863 119.062 119.950 -0.042 0.000 2.695 155 F HA 0.067 4.594 4.527 -0.000 0.000 0.303 155 F C 1.725 177.506 175.800 -0.032 0.000 1.091 155 F CA -0.204 57.767 58.000 -0.049 0.000 1.300 155 F CB 0.306 39.247 39.000 -0.099 0.000 1.071 155 F HN -0.158 nan 8.300 nan 0.000 0.578 156 V N 1.825 121.798 119.914 0.099 0.000 2.278 156 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 156 V C -0.275 175.833 176.094 0.023 0.000 1.062 156 V CA 2.284 64.629 62.300 0.075 0.000 1.038 156 V CB -1.324 30.556 31.823 0.094 0.000 0.646 156 V HN 0.180 nan 8.190 nan 0.000 0.447 157 P HA -0.135 nan 4.420 nan 0.000 0.219 157 P C 1.774 179.025 177.300 -0.081 0.000 1.146 157 P CA 1.177 64.234 63.100 -0.072 0.000 0.808 157 P CB -0.002 31.720 31.700 0.037 0.000 0.779 158 L N -1.303 119.919 121.223 -0.002 0.000 2.131 158 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 158 L C 2.504 179.382 176.870 0.014 0.000 1.087 158 L CA 1.421 56.277 54.840 0.026 0.000 0.767 158 L CB -1.244 40.884 42.059 0.114 0.000 0.917 158 L HN 0.044 nan 8.230 nan 0.000 0.441 159 C N -1.470 117.847 119.300 0.027 0.000 2.413 159 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 159 C C 2.710 177.680 174.990 -0.032 0.000 1.228 159 C CA 1.302 60.329 59.018 0.016 0.000 1.731 159 C CB -0.687 27.077 27.740 0.039 0.000 2.042 159 C HN 0.422 nan 8.230 nan 0.000 0.468 160 V N 0.343 120.211 119.914 -0.076 0.000 2.407 160 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 160 V C 2.747 178.793 176.094 -0.079 0.000 1.055 160 V CA 2.321 64.556 62.300 -0.108 0.000 1.049 160 V CB -1.011 30.689 31.823 -0.206 0.000 0.662 160 V HN 0.720 nan 8.190 nan 0.000 0.455 161 S N -0.030 115.604 115.700 -0.109 0.000 2.370 161 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 161 S C 2.099 176.644 174.600 -0.092 0.000 1.033 161 S CA 1.757 59.885 58.200 -0.119 0.000 1.011 161 S CB -0.270 62.867 63.200 -0.104 0.000 0.852 161 S HN 0.624 nan 8.310 nan 0.000 0.457 162 A N 1.031 123.822 122.820 -0.048 0.000 1.897 162 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 162 A C 2.097 179.664 177.584 -0.028 0.000 1.181 162 A CA 1.327 53.349 52.037 -0.025 0.000 0.620 162 A CB -0.823 18.180 19.000 0.004 0.000 0.821 162 A HN 0.532 nan 8.150 nan 0.000 0.443 163 L N 0.069 121.268 121.223 -0.040 0.000 2.012 163 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 163 L C 2.708 179.557 176.870 -0.035 0.000 1.073 163 L CA 2.245 57.045 54.840 -0.067 0.000 0.748 163 L CB -0.952 41.041 42.059 -0.111 0.000 0.891 163 L HN 0.362 nan 8.230 nan 0.000 0.431 164 A N -0.390 122.465 122.820 0.057 0.000 1.883 164 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 164 A C 2.540 180.154 177.584 0.050 0.000 1.186 164 A CA 1.947 54.076 52.037 0.152 0.000 0.624 164 A CB -0.716 18.320 19.000 0.059 0.000 0.822 164 A HN 0.535 nan 8.150 nan 0.000 0.444 165 R N -0.256 120.208 120.500 -0.060 0.000 2.080 165 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 165 R C 2.296 178.612 176.300 0.027 0.000 1.137 165 R CA 1.793 57.877 56.100 -0.026 0.000 0.943 165 R CB -0.546 29.730 30.300 -0.039 0.000 0.846 165 R HN 0.406 nan 8.270 nan 0.000 0.431 166 A N 1.161 123.986 122.820 0.008 0.000 1.908 166 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 166 A C 2.264 179.858 177.584 0.017 0.000 1.181 166 A CA 1.637 53.690 52.037 0.026 0.000 0.627 166 A CB -0.510 18.494 19.000 0.007 0.000 0.818 166 A HN 0.423 nan 8.150 nan 0.000 0.445 167 R N -0.686 119.741 120.500 -0.122 0.000 2.081 167 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 167 R C 2.522 178.857 176.300 0.058 0.000 1.131 167 R CA 1.158 57.084 56.100 -0.291 0.000 0.960 167 R CB -0.463 29.393 30.300 -0.740 0.000 0.856 167 R HN 0.525 nan 8.270 nan 0.000 0.436 168 A N 1.494 124.354 122.820 0.067 0.000 1.877 168 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 168 A C 1.640 179.281 177.584 0.096 0.000 1.186 168 A CA 1.791 53.849 52.037 0.036 0.000 0.620 168 A CB -0.452 18.561 19.000 0.022 0.000 0.822 168 A HN 0.168 nan 8.150 nan 0.000 0.443 169 D N -1.641 118.838 120.400 0.133 0.000 2.117 169 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 169 D C 1.607 178.051 176.300 0.240 0.000 0.987 169 D CA 1.239 55.344 54.000 0.175 0.000 0.829 169 D CB -0.371 40.519 40.800 0.151 0.000 0.961 169 D HN 0.736 nan 8.370 nan 0.000 0.460 170 W N 1.498 122.853 121.300 0.092 0.000 2.354 170 W HA -0.124 4.536 4.660 -0.000 0.000 0.315 170 W C 2.244 178.830 176.519 0.111 0.000 1.206 170 W CA 1.098 58.514 57.345 0.118 0.000 1.290 170 W CB -0.502 29.068 29.460 0.184 0.000 1.152 170 W HN -0.105 nan 8.180 nan 0.000 0.489 171 L N -0.659 120.893 121.223 0.548 0.000 1.990 171 L HA -0.296 4.044 4.340 -0.000 0.000 0.213 171 L C 2.474 179.380 176.870 0.060 0.000 1.072 171 L CA 2.035 57.078 54.840 0.339 0.000 0.755 171 L CB -1.206 41.063 42.059 0.349 0.000 0.889 171 L HN 0.140 nan 8.230 nan 0.000 0.432 172 Y N 0.110 120.389 120.300 -0.036 0.000 2.243 172 Y HA -0.069 4.481 4.550 -0.000 0.000 0.293 172 Y C 2.257 178.106 175.900 -0.086 0.000 1.124 172 Y CA 1.460 59.523 58.100 -0.063 0.000 1.159 172 Y CB -0.476 37.956 38.460 -0.046 0.000 1.008 172 Y HN 0.041 nan 8.280 nan 0.000 0.527 173 G N 0.724 109.521 108.800 -0.005 0.000 2.394 173 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.214 173 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.214 173 G C 1.564 176.301 174.900 -0.272 0.000 1.176 173 G CA 1.015 46.050 45.100 -0.109 0.000 0.786 173 G HN 0.334 nan 8.290 nan 0.000 0.533 174 I N 1.795 122.115 120.570 -0.416 0.000 2.163 174 I HA -0.163 4.006 4.170 -0.000 0.000 0.243 174 I C 2.453 178.229 176.117 -0.568 0.000 1.085 174 I CA 1.064 62.003 61.300 -0.603 0.000 1.347 174 I CB -1.095 36.291 38.000 -1.024 0.000 1.044 174 I HN 0.167 nan 8.210 nan 0.000 0.408 175 N N 0.495 118.895 118.700 -0.499 0.000 2.039 175 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 175 N C 1.839 177.137 175.510 -0.353 0.000 1.044 175 N CA 1.328 54.120 53.050 -0.430 0.000 0.847 175 N CB -0.198 38.071 38.487 -0.363 0.000 1.030 175 N HN 0.247 nan 8.380 nan 0.000 0.422 176 M N 0.878 120.267 119.600 -0.352 0.000 2.159 176 M HA -0.064 4.416 4.480 -0.000 0.000 0.263 176 M C 1.965 178.202 176.300 -0.106 0.000 1.063 176 M CA 1.143 56.298 55.300 -0.243 0.000 1.110 176 M CB -1.426 30.877 32.600 -0.495 0.000 1.374 176 M HN 0.096 nan 8.290 nan 0.000 0.411 177 T N 0.400 114.839 114.554 -0.191 0.000 2.708 177 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 177 T C 2.001 176.618 174.700 -0.137 0.000 1.037 177 T CA 1.109 63.144 62.100 -0.110 0.000 1.146 177 T CB -0.173 68.623 68.868 -0.120 0.000 0.865 177 T HN 0.372 nan 8.240 nan 0.000 0.435 178 R N 1.009 121.265 120.500 -0.406 0.000 2.080 178 R HA -0.066 4.274 4.340 -0.000 0.000 0.236 178 R C 2.856 179.059 176.300 -0.160 0.000 1.137 178 R CA 1.445 57.263 56.100 -0.470 0.000 0.943 178 R CB -0.738 29.125 30.300 -0.728 0.000 0.846 178 R HN 0.391 nan 8.270 nan 0.000 0.431 179 A N 0.872 123.581 122.820 -0.184 0.000 1.849 179 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 179 A C 2.035 179.467 177.584 -0.253 0.000 1.202 179 A CA 1.615 53.525 52.037 -0.211 0.000 0.629 179 A CB -1.065 17.792 19.000 -0.239 0.000 0.834 179 A HN 0.367 nan 8.150 nan 0.000 0.447 180 Y N 0.512 120.745 120.300 -0.112 0.000 2.293 180 Y HA -0.126 4.424 4.550 -0.000 0.000 0.291 180 Y C 2.978 178.809 175.900 -0.115 0.000 1.137 180 Y CA 1.641 59.670 58.100 -0.118 0.000 1.202 180 Y CB -0.849 37.547 38.460 -0.107 0.000 0.990 180 Y HN 0.299 nan 8.280 nan 0.000 0.537 181 T N 0.482 115.098 114.554 0.104 0.000 2.708 181 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 181 T C 1.992 176.734 174.700 0.069 0.000 1.037 181 T CA 1.632 63.823 62.100 0.151 0.000 1.146 181 T CB -0.406 68.677 68.868 0.357 0.000 0.865 181 T HN 0.245 nan 8.240 nan 0.000 0.435 182 I N 0.690 121.293 120.570 0.055 0.000 2.142 182 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 182 I C 2.326 178.393 176.117 -0.083 0.000 1.078 182 I CA 1.241 62.549 61.300 0.014 0.000 1.343 182 I CB -0.518 37.495 38.000 0.022 0.000 1.046 182 I HN 0.193 nan 8.210 nan 0.000 0.405 183 L N 0.706 121.823 121.223 -0.177 0.000 2.013 183 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 183 L C 2.709 179.375 176.870 -0.341 0.000 1.073 183 L CA 1.867 56.563 54.840 -0.240 0.000 0.753 183 L CB -1.213 40.657 42.059 -0.315 0.000 0.890 183 L HN 0.333 nan 8.230 nan 0.000 0.432 184 G N -0.605 107.920 108.800 -0.459 0.000 2.421 184 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 184 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 184 G C 1.703 176.528 174.900 -0.125 0.000 1.171 184 G CA 0.310 45.108 45.100 -0.503 0.000 0.775 184 G HN 0.183 nan 8.290 nan 0.000 0.543 185 R N 0.591 121.071 120.500 -0.032 0.000 2.081 185 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 185 R C 2.215 178.515 176.300 -0.000 0.000 1.131 185 R CA 1.142 57.251 56.100 0.015 0.000 0.960 185 R CB -0.768 29.539 30.300 0.011 0.000 0.856 185 R HN 0.270 nan 8.270 nan 0.000 0.436 186 N N 0.913 119.599 118.700 -0.023 0.000 2.348 186 N HA -0.116 4.624 4.740 -0.000 0.000 0.185 186 N C 1.152 176.675 175.510 0.022 0.000 1.019 186 N CA 1.341 54.389 53.050 -0.004 0.000 0.880 186 N CB -0.045 38.435 38.487 -0.011 0.000 0.965 186 N HN 0.253 nan 8.380 nan 0.000 0.437 187 A N -1.052 121.784 122.820 0.026 0.000 2.387 187 A HA 0.548 4.868 4.320 -0.000 0.000 0.234 187 A C 1.305 178.954 177.584 0.108 0.000 1.253 187 A CA 0.427 52.519 52.037 0.090 0.000 0.894 187 A CB -0.027 19.079 19.000 0.177 0.000 0.963 187 A HN 0.238 nan 8.150 nan 0.000 0.508 188 G N -1.782 107.068 108.800 0.082 0.000 2.159 188 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.227 188 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.227 188 G C -0.045 174.926 174.900 0.118 0.000 0.986 188 G CA 0.158 45.309 45.100 0.084 0.000 0.651 188 G HN 0.687 nan 8.290 nan 0.000 0.523 189 Y N 1.309 121.614 120.300 0.007 0.000 2.402 189 Y HA 0.487 5.037 4.550 -0.000 0.000 0.333 189 Y C 1.462 177.364 175.900 0.003 0.000 1.076 189 Y CA 0.812 58.923 58.100 0.020 0.000 1.299 189 Y CB 1.169 39.636 38.460 0.011 0.000 1.197 189 Y HN 0.224 nan 8.280 nan 0.000 0.517 190 Q N 3.791 123.342 119.800 -0.415 0.000 2.297 190 Q HA 0.156 4.496 4.340 -0.000 0.000 0.203 190 Q C 1.034 176.847 176.000 -0.311 0.000 0.931 190 Q CA 0.569 56.203 55.803 -0.281 0.000 0.885 190 Q CB 0.075 28.679 28.738 -0.222 0.000 0.991 190 Q HN 0.990 nan 8.270 nan 0.000 0.498 191 G N 0.197 108.607 108.800 -0.650 0.000 2.525 191 G HA2 0.295 4.255 3.960 -0.000 0.000 0.276 191 G HA3 0.295 4.255 3.960 -0.000 0.000 0.276 191 G C -0.770 174.243 174.900 0.188 0.000 1.388 191 G CA -0.460 44.485 45.100 -0.258 0.000 1.050 191 G HN 0.121 nan 8.290 nan 0.000 0.520 192 V N 0.217 120.320 119.914 0.315 0.000 2.435 192 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 192 V C 0.090 176.444 176.094 0.434 0.000 1.030 192 V CA -0.432 62.056 62.300 0.314 0.000 0.881 192 V CB 1.541 33.481 31.823 0.195 0.000 0.983 192 V HN 0.463 nan 8.190 nan 0.000 0.445 193 L N 5.180 126.606 121.223 0.338 0.000 2.397 193 L HA 0.318 4.658 4.340 -0.000 0.000 0.263 193 L C 0.723 177.732 176.870 0.232 0.000 1.136 193 L CA -0.059 54.942 54.840 0.268 0.000 1.019 193 L CB 0.684 42.776 42.059 0.054 0.000 1.352 193 L HN 0.810 nan 8.230 nan 0.000 0.420 194 S N 1.612 117.488 115.700 0.294 0.000 2.565 194 S HA 0.627 5.097 4.470 -0.000 0.000 0.276 194 S C -0.202 174.464 174.600 0.110 0.000 1.326 194 S CA -0.681 57.626 58.200 0.179 0.000 1.045 194 S CB 1.978 65.283 63.200 0.174 0.000 0.918 194 S HN 0.164 nan 8.310 nan 0.000 0.505 195 V N 2.039 121.958 119.914 0.008 0.000 2.656 195 V HA 0.888 5.008 4.120 -0.000 0.000 0.307 195 V C 0.592 176.686 176.094 -0.001 0.000 1.051 195 V CA -0.180 62.085 62.300 -0.058 0.000 0.893 195 V CB 1.764 33.454 31.823 -0.222 0.000 0.999 195 V HN 1.264 nan 8.190 nan 0.000 0.426 196 G N 2.069 110.944 108.800 0.127 0.000 2.695 196 G HA2 0.488 4.448 3.960 -0.000 0.000 0.290 196 G HA3 0.488 4.448 3.960 -0.000 0.000 0.290 196 G C 0.007 175.153 174.900 0.410 0.000 1.410 196 G CA -0.624 44.636 45.100 0.267 0.000 0.844 196 G HN 0.595 nan 8.290 nan 0.000 0.478 197 R N -0.483 120.237 120.500 0.368 0.000 2.148 197 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 197 R C 1.415 177.795 176.300 0.134 0.000 1.088 197 R CA 1.576 57.779 56.100 0.171 0.000 0.985 197 R CB 0.003 30.372 30.300 0.115 0.000 0.880 197 R HN 0.332 nan 8.270 nan 0.000 0.451 198 V N 0.659 120.647 119.914 0.124 0.000 2.627 198 V HA -0.130 3.990 4.120 -0.000 0.000 0.239 198 V C 2.247 178.375 176.094 0.056 0.000 1.077 198 V CA 1.117 63.463 62.300 0.075 0.000 1.103 198 V CB -0.078 31.785 31.823 0.066 0.000 0.802 198 V HN 0.388 nan 8.190 nan 0.000 0.482 199 Q N 0.492 120.337 119.800 0.075 0.000 2.124 199 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 199 Q C 1.947 177.978 176.000 0.051 0.000 0.977 199 Q CA 2.393 58.233 55.803 0.061 0.000 0.850 199 Q CB -0.915 27.874 28.738 0.086 0.000 0.901 199 Q HN 0.513 nan 8.270 nan 0.000 0.429 200 T N 1.900 116.494 114.554 0.066 0.000 2.737 200 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 200 T C -0.855 173.853 174.700 0.013 0.000 1.038 200 T CA 1.341 63.462 62.100 0.034 0.000 1.144 200 T CB -1.025 67.862 68.868 0.032 0.000 0.866 200 T HN 0.298 nan 8.240 nan 0.000 0.434 201 P HA 0.013 nan 4.420 nan 0.000 0.220 201 P C 1.492 178.754 177.300 -0.063 0.000 1.148 201 P CA 0.473 63.561 63.100 -0.021 0.000 0.803 201 P CB -0.184 31.498 31.700 -0.030 0.000 0.782 202 V N -0.533 119.337 119.914 -0.074 0.000 2.427 202 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 202 V C 2.309 178.320 176.094 -0.139 0.000 1.051 202 V CA 1.354 63.569 62.300 -0.141 0.000 1.048 202 V CB -1.126 30.629 31.823 -0.113 0.000 0.666 202 V HN 0.073 nan 8.190 nan 0.000 0.456 203 L N 1.440 122.625 121.223 -0.063 0.000 2.046 203 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 203 L C 2.346 179.189 176.870 -0.045 0.000 1.077 203 L CA 2.414 57.224 54.840 -0.049 0.000 0.747 203 L CB -1.275 40.780 42.059 -0.007 0.000 0.896 203 L HN 0.278 nan 8.230 nan 0.000 0.432 204 G N -0.639 108.184 108.800 0.039 0.000 2.422 204 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 204 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 204 G C 1.609 176.501 174.900 -0.013 0.000 1.146 204 G CA 1.046 46.242 45.100 0.159 0.000 0.769 204 G HN 0.441 nan 8.290 nan 0.000 0.547 205 L N 0.141 121.293 121.223 -0.117 0.000 2.012 205 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 205 L C 3.018 179.861 176.870 -0.045 0.000 1.073 205 L CA 0.843 55.578 54.840 -0.175 0.000 0.748 205 L CB -0.600 41.174 42.059 -0.475 0.000 0.891 205 L HN 0.112 nan 8.230 nan 0.000 0.431 206 V N -0.988 118.849 119.914 -0.129 0.000 2.270 206 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 206 V C 2.411 178.468 176.094 -0.061 0.000 1.043 206 V CA 1.479 63.777 62.300 -0.003 0.000 1.014 206 V CB -0.339 31.440 31.823 -0.072 0.000 0.645 206 V HN 0.178 nan 8.190 nan 0.000 0.447 207 V N 0.173 119.941 119.914 -0.244 0.000 2.252 207 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 207 V C 2.613 178.469 176.094 -0.398 0.000 1.056 207 V CA 2.385 64.412 62.300 -0.456 0.000 1.022 207 V CB -0.849 30.344 31.823 -1.050 0.000 0.641 207 V HN 0.462 nan 8.190 nan 0.000 0.445 208 R N -0.618 119.664 120.500 -0.362 0.000 2.120 208 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 208 R C 2.478 178.745 176.300 -0.054 0.000 1.123 208 R CA 1.432 57.437 56.100 -0.159 0.000 0.975 208 R CB -0.356 29.929 30.300 -0.025 0.000 0.866 208 R HN 0.324 nan 8.270 nan 0.000 0.446 209 R N 1.480 121.983 120.500 0.005 0.000 2.070 209 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 209 R C 1.394 177.641 176.300 -0.088 0.000 1.138 209 R CA 2.020 58.105 56.100 -0.026 0.000 0.936 209 R CB -0.726 29.588 30.300 0.023 0.000 0.839 209 R HN 0.073 nan 8.270 nan 0.000 0.429 210 D N 0.297 120.673 120.400 -0.041 0.000 2.149 210 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 210 D C 1.726 178.006 176.300 -0.034 0.000 1.001 210 D CA 1.774 55.764 54.000 -0.015 0.000 0.849 210 D CB -0.115 40.687 40.800 0.003 0.000 0.939 210 D HN 0.503 nan 8.370 nan 0.000 0.449 211 E N 0.118 120.286 120.200 -0.052 0.000 2.112 211 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 211 E C 1.972 178.570 176.600 -0.004 0.000 0.979 211 E CA 0.325 56.715 56.400 -0.017 0.000 0.814 211 E CB -0.019 29.673 29.700 -0.012 0.000 0.762 211 E HN 0.401 nan 8.360 nan 0.000 0.460 212 E N 1.319 121.506 120.200 -0.022 0.000 2.070 212 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 212 E C 2.105 178.704 176.600 -0.001 0.000 1.004 212 E CA 1.099 57.497 56.400 -0.003 0.000 0.805 212 E CB -0.057 29.625 29.700 -0.030 0.000 0.744 212 E HN 0.201 nan 8.360 nan 0.000 0.451 213 I N 0.885 121.398 120.570 -0.096 0.000 2.142 213 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 213 I C 2.498 178.612 176.117 -0.005 0.000 1.078 213 I CA 1.441 62.658 61.300 -0.139 0.000 1.343 213 I CB -0.357 37.434 38.000 -0.348 0.000 1.046 213 I HN 0.184 nan 8.210 nan 0.000 0.405 214 E N 0.730 120.935 120.200 0.008 0.000 2.130 214 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 214 E C 1.345 177.980 176.600 0.059 0.000 0.998 214 E CA 1.228 57.656 56.400 0.046 0.000 0.806 214 E CB -0.095 29.633 29.700 0.046 0.000 0.738 214 E HN 0.478 nan 8.360 nan 0.000 0.459 215 N N -0.242 118.497 118.700 0.065 0.000 2.336 215 N HA -0.007 4.733 4.740 -0.000 0.000 0.189 215 N C -0.271 175.285 175.510 0.077 0.000 1.113 215 N CA 0.032 53.116 53.050 0.056 0.000 0.858 215 N CB 0.099 38.610 38.487 0.040 0.000 0.970 215 N HN 0.024 nan 8.380 nan 0.000 0.471 216 F N 1.770 121.696 119.950 -0.040 0.000 2.495 216 F HA 0.143 4.670 4.527 -0.000 0.000 0.365 216 F C 0.074 175.855 175.800 -0.033 0.000 1.090 216 F CA -0.412 57.561 58.000 -0.045 0.000 1.235 216 F CB 0.669 39.630 39.000 -0.064 0.000 1.119 216 F HN -0.312 nan 8.300 nan 0.000 0.562 217 V N 6.957 126.459 119.914 -0.687 0.000 2.334 217 V HA 0.512 4.632 4.120 -0.000 0.000 0.281 217 V C 0.155 175.761 176.094 -0.813 0.000 1.016 217 V CA -0.978 61.017 62.300 -0.509 0.000 0.832 217 V CB 0.744 32.386 31.823 -0.302 0.000 0.999 217 V HN 0.996 nan 8.190 nan 0.000 0.439 218 A N 5.739 128.285 122.820 -0.457 0.000 2.451 218 A HA 0.497 4.817 4.320 -0.000 0.000 0.266 218 A C 0.373 177.866 177.584 -0.152 0.000 1.119 218 A CA -0.190 51.712 52.037 -0.224 0.000 0.786 218 A CB 0.012 19.074 19.000 0.103 0.000 1.061 218 A HN 0.920 nan 8.150 nan 0.000 0.503 219 K N 3.009 123.335 120.400 -0.123 0.000 2.244 219 K HA 0.398 4.718 4.320 -0.000 0.000 0.260 219 K C -1.343 175.260 176.600 0.005 0.000 0.951 219 K CA -0.811 55.436 56.287 -0.066 0.000 0.826 219 K CB 1.578 34.025 32.500 -0.088 0.000 1.108 219 K HN 0.481 nan 8.250 nan 0.000 0.433 220 D N 3.592 123.965 120.400 -0.045 0.000 2.425 220 D HA 0.111 4.751 4.640 -0.000 0.000 0.247 220 D C -0.341 175.796 176.300 -0.273 0.000 1.147 220 D CA 0.477 54.372 54.000 -0.175 0.000 0.879 220 D CB 0.317 40.997 40.800 -0.200 0.000 1.179 220 D HN 0.480 nan 8.370 nan 0.000 0.456 221 F N 1.062 120.647 119.950 -0.608 0.000 2.691 221 F HA 0.780 5.307 4.527 -0.000 0.000 0.334 221 F C -1.506 173.775 175.800 -0.864 0.000 1.107 221 F CA -1.318 56.280 58.000 -0.669 0.000 0.991 221 F CB 1.025 39.885 39.000 -0.233 0.000 1.400 221 F HN 0.091 nan 8.300 nan 0.000 0.503 222 F N -0.280 119.698 119.950 0.046 0.000 2.613 222 F HA 0.597 5.124 4.527 -0.000 0.000 0.310 222 F C -0.713 175.132 175.800 0.074 0.000 1.085 222 F CA -0.811 57.177 58.000 -0.020 0.000 0.945 222 F CB 2.453 41.492 39.000 0.065 0.000 1.298 222 F HN 0.746 nan 8.300 nan 0.000 0.455 223 E N -0.283 120.070 120.200 0.255 0.000 2.449 223 E HA 0.723 5.073 4.350 -0.000 0.000 0.278 223 E C -2.110 174.638 176.600 0.246 0.000 0.992 223 E CA -1.127 55.417 56.400 0.239 0.000 0.807 223 E CB 2.657 32.450 29.700 0.154 0.000 1.350 223 E HN 0.282 nan 8.360 nan 0.000 0.462 224 V N 1.154 121.251 119.914 0.305 0.000 2.384 224 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 224 V C -0.340 175.920 176.094 0.276 0.000 1.020 224 V CA -0.679 61.797 62.300 0.294 0.000 0.850 224 V CB 1.298 33.331 31.823 0.351 0.000 0.987 224 V HN 0.566 nan 8.190 nan 0.000 0.436 225 K N 3.663 124.183 120.400 0.201 0.000 2.240 225 K HA 0.750 5.070 4.320 -0.000 0.000 0.271 225 K C -0.257 176.403 176.600 0.101 0.000 1.018 225 K CA -0.400 55.960 56.287 0.121 0.000 0.874 225 K CB 1.360 33.853 32.500 -0.011 0.000 1.098 225 K HN 0.807 nan 8.250 nan 0.000 0.458 226 A N 4.698 127.585 122.820 0.111 0.000 2.276 226 A HA 0.301 4.621 4.320 -0.000 0.000 0.316 226 A C -0.944 176.508 177.584 -0.219 0.000 1.229 226 A CA -0.635 51.367 52.037 -0.059 0.000 0.851 226 A CB 0.328 19.172 19.000 -0.260 0.000 1.165 226 A HN 0.793 nan 8.150 nan 0.000 0.513 227 H N 3.610 122.609 119.070 -0.118 0.000 2.652 227 H HA 0.300 4.856 4.556 -0.000 0.000 0.298 227 H C -0.436 174.724 175.328 -0.280 0.000 1.076 227 H CA -0.026 55.922 56.048 -0.167 0.000 1.360 227 H CB 0.776 30.476 29.762 -0.103 0.000 1.421 227 H HN 0.412 nan 8.280 nan 0.000 0.464 228 I N 3.342 123.655 120.570 -0.428 0.000 2.530 228 I HA 0.216 4.386 4.170 -0.000 0.000 0.297 228 I C 0.232 176.051 176.117 -0.497 0.000 1.011 228 I CA -0.893 60.052 61.300 -0.592 0.000 1.107 228 I CB 2.058 39.436 38.000 -1.036 0.000 1.285 228 I HN 0.222 nan 8.210 nan 0.000 0.436 229 V N 4.833 124.603 119.914 -0.240 0.000 2.487 229 V HA 0.462 4.582 4.120 -0.000 0.000 0.298 229 V C 0.047 176.148 176.094 0.012 0.000 1.028 229 V CA -0.144 62.108 62.300 -0.081 0.000 0.860 229 V CB 2.100 33.893 31.823 -0.050 0.000 0.991 229 V HN 0.939 nan 8.190 nan 0.000 0.427 230 T N 9.664 124.277 114.554 0.099 0.000 2.919 230 T HA 0.223 4.573 4.350 -0.000 0.000 0.302 230 T C -1.730 172.999 174.700 0.048 0.000 1.031 230 T CA -0.589 61.573 62.100 0.104 0.000 1.127 230 T CB 1.279 70.221 68.868 0.123 0.000 0.952 230 T HN 0.645 nan 8.240 nan 0.000 0.540 231 P HA -0.126 nan 4.420 nan 0.000 0.216 231 P C 1.035 178.344 177.300 0.015 0.000 1.154 231 P CA 0.855 63.964 63.100 0.015 0.000 0.865 231 P CB -0.021 31.684 31.700 0.009 0.000 0.789 232 A N -0.892 121.939 122.820 0.018 0.000 2.247 232 A HA -0.080 4.240 4.320 -0.000 0.000 0.205 232 A C 0.767 178.364 177.584 0.022 0.000 1.261 232 A CA 0.838 52.884 52.037 0.015 0.000 0.853 232 A CB -1.576 17.430 19.000 0.010 0.000 0.793 232 A HN 0.175 nan 8.150 nan 0.000 0.487 233 D N -0.809 119.607 120.400 0.026 0.000 2.981 233 D HA -0.127 4.513 4.640 -0.000 0.000 0.223 233 D C -0.363 175.964 176.300 0.045 0.000 1.151 233 D CA 1.211 55.227 54.000 0.027 0.000 0.827 233 D CB -1.326 39.484 40.800 0.016 0.000 1.101 233 D HN 0.772 nan 8.370 nan 0.000 0.426 234 E N 0.320 120.562 120.200 0.071 0.000 2.197 234 E HA 0.461 4.811 4.350 -0.000 0.000 0.281 234 E C 0.299 176.995 176.600 0.161 0.000 0.995 234 E CA -0.357 56.110 56.400 0.112 0.000 0.808 234 E CB 1.388 31.162 29.700 0.122 0.000 1.093 234 E HN 0.083 nan 8.360 nan 0.000 0.394 235 R N 2.802 123.395 120.500 0.155 0.000 2.445 235 R HA 0.523 4.863 4.340 -0.000 0.000 0.308 235 R C -0.972 175.472 176.300 0.240 0.000 0.961 235 R CA -0.556 55.618 56.100 0.123 0.000 0.862 235 R CB 0.778 31.116 30.300 0.063 0.000 1.144 235 R HN 0.463 nan 8.270 nan 0.000 0.447 236 F N -1.497 118.492 119.950 0.064 0.000 2.715 236 F HA 0.652 5.179 4.527 -0.000 0.000 0.318 236 F C -0.894 174.929 175.800 0.038 0.000 1.141 236 F CA -1.080 56.957 58.000 0.061 0.000 0.950 236 F CB 1.332 40.370 39.000 0.063 0.000 1.374 236 F HN 0.372 nan 8.300 nan 0.000 0.477 237 T N -0.234 114.446 114.554 0.210 0.000 2.885 237 T HA 0.906 5.256 4.350 -0.000 0.000 0.285 237 T C -0.772 174.061 174.700 0.222 0.000 1.019 237 T CA -0.420 61.687 62.100 0.013 0.000 1.010 237 T CB 1.510 70.314 68.868 -0.107 0.000 1.022 237 T HN 1.317 nan 8.240 nan 0.000 0.466 238 A N 2.514 125.424 122.820 0.151 0.000 2.413 238 A HA 0.801 5.121 4.320 -0.000 0.000 0.307 238 A C -0.793 176.971 177.584 0.301 0.000 1.087 238 A CA -1.002 51.206 52.037 0.285 0.000 0.750 238 A CB 0.990 20.215 19.000 0.376 0.000 1.296 238 A HN 0.780 nan 8.150 nan 0.000 0.423 239 I N 0.344 121.069 120.570 0.258 0.000 2.562 239 I HA 0.295 4.465 4.170 -0.000 0.000 0.301 239 I C -0.519 175.612 176.117 0.023 0.000 1.003 239 I CA -0.646 60.756 61.300 0.169 0.000 1.127 239 I CB 1.458 39.506 38.000 0.081 0.000 1.304 239 I HN 0.913 nan 8.210 nan 0.000 0.446 240 W N 6.132 127.183 121.300 -0.416 0.000 2.287 240 W HA 0.283 4.943 4.660 -0.000 0.000 0.313 240 W C -0.298 175.972 176.519 -0.415 0.000 1.267 240 W CA -0.296 56.486 57.345 -0.939 0.000 1.201 240 W CB 0.750 29.577 29.460 -1.055 0.000 1.196 240 W HN 0.382 nan 8.180 nan 0.000 0.536 241 Q N 7.662 127.039 119.800 -0.705 0.000 2.569 241 Q HA 0.251 4.591 4.340 -0.000 0.000 0.226 241 Q C -2.070 173.415 176.000 -0.859 0.000 1.136 241 Q CA -1.860 53.571 55.803 -0.620 0.000 0.947 241 Q CB 0.422 29.002 28.738 -0.263 0.000 1.218 241 Q HN 0.310 nan 8.270 nan 0.000 0.547 242 P HA -0.073 nan 4.420 nan 0.000 0.267 242 P C 0.145 177.256 177.300 -0.314 0.000 1.201 242 P CA 0.306 62.823 63.100 -0.973 0.000 0.775 242 P CB 0.635 31.756 31.700 -0.965 0.000 0.854 243 S N 0.090 115.754 115.700 -0.060 0.000 2.661 243 S HA 0.119 4.589 4.470 -0.000 0.000 0.265 243 S C 1.284 175.880 174.600 -0.005 0.000 1.225 243 S CA -0.539 57.664 58.200 0.004 0.000 0.986 243 S CB 0.391 63.644 63.200 0.088 0.000 1.008 243 S HN 0.561 nan 8.310 nan 0.000 0.565 244 E N 0.334 120.538 120.200 0.005 0.000 2.273 244 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 244 E C 1.817 178.432 176.600 0.026 0.000 1.002 244 E CA 1.097 57.500 56.400 0.005 0.000 0.828 244 E CB -0.480 29.225 29.700 0.007 0.000 0.747 244 E HN 0.788 nan 8.360 nan 0.000 0.491 245 A N -0.466 122.388 122.820 0.057 0.000 2.206 245 A HA -0.063 4.257 4.320 -0.000 0.000 0.211 245 A C 1.955 179.623 177.584 0.140 0.000 1.158 245 A CA 0.458 52.547 52.037 0.088 0.000 0.761 245 A CB -0.192 18.872 19.000 0.107 0.000 0.801 245 A HN 0.413 nan 8.150 nan 0.000 0.473 246 C N -1.225 118.152 119.300 0.129 0.000 2.799 246 C HA 0.149 4.609 4.460 -0.000 0.000 0.267 246 C C 2.162 177.245 174.990 0.156 0.000 1.257 246 C CA 0.039 59.186 59.018 0.215 0.000 1.702 246 C CB -0.896 26.920 27.740 0.127 0.000 1.934 246 C HN 0.716 nan 8.230 nan 0.000 0.594 247 E N 2.081 122.308 120.200 0.046 0.000 2.108 247 E HA -0.222 4.128 4.350 -0.000 0.000 0.203 247 E C -0.606 175.957 176.600 -0.061 0.000 1.022 247 E CA 1.915 58.310 56.400 -0.009 0.000 0.823 247 E CB -0.641 29.042 29.700 -0.029 0.000 0.744 247 E HN 0.529 nan 8.360 nan 0.000 0.456 248 P HA -0.180 nan 4.420 nan 0.000 0.222 248 P C 0.273 177.308 177.300 -0.442 0.000 1.142 248 P CA 1.474 64.362 63.100 -0.354 0.000 0.788 248 P CB -0.051 31.315 31.700 -0.557 0.000 0.767 249 Y N -1.303 119.001 120.300 0.007 0.000 2.444 249 Y HA 0.264 4.814 4.550 -0.000 0.000 0.249 249 Y C 1.508 177.447 175.900 0.065 0.000 1.134 249 Y CA -0.320 57.806 58.100 0.043 0.000 1.261 249 Y CB -0.137 38.356 38.460 0.055 0.000 1.143 249 Y HN -0.029 nan 8.280 nan 0.000 0.523 250 Q N 1.171 121.052 119.800 0.135 0.000 2.221 250 Q HA 0.195 4.535 4.340 -0.000 0.000 0.242 250 Q C -0.409 175.601 176.000 0.016 0.000 0.940 250 Q CA -0.859 54.986 55.803 0.069 0.000 0.896 250 Q CB 1.054 29.803 28.738 0.019 0.000 1.226 250 Q HN 0.231 nan 8.270 nan 0.000 0.463 251 D N -0.142 120.249 120.400 -0.015 0.000 2.469 251 D HA -0.071 4.569 4.640 -0.000 0.000 0.278 251 D C 0.930 177.194 176.300 -0.061 0.000 1.231 251 D CA -0.241 53.732 54.000 -0.044 0.000 1.075 251 D CB 0.176 40.935 40.800 -0.068 0.000 1.121 251 D HN 0.633 nan 8.370 nan 0.000 0.571 252 E N 0.090 120.249 120.200 -0.067 0.000 2.085 252 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 252 E C 1.210 177.764 176.600 -0.077 0.000 0.994 252 E CA 1.396 57.756 56.400 -0.066 0.000 0.801 252 E CB -0.512 29.152 29.700 -0.061 0.000 0.743 252 E HN 0.559 nan 8.360 nan 0.000 0.453 253 E N 0.181 120.321 120.200 -0.101 0.000 2.481 253 E HA 0.172 4.522 4.350 -0.000 0.000 0.195 253 E C 0.752 177.283 176.600 -0.115 0.000 1.047 253 E CA 0.677 57.009 56.400 -0.113 0.000 0.867 253 E CB 0.398 30.011 29.700 -0.145 0.000 0.858 253 E HN 0.518 nan 8.360 nan 0.000 0.513 254 G N 1.494 110.232 108.800 -0.103 0.000 2.255 254 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.239 254 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.239 254 G C -0.358 174.487 174.900 -0.092 0.000 1.083 254 G CA -0.385 44.661 45.100 -0.089 0.000 0.826 254 G HN 0.106 nan 8.290 nan 0.000 0.493 255 R N -0.651 119.783 120.500 -0.110 0.000 2.346 255 R HA 0.536 4.876 4.340 -0.000 0.000 0.311 255 R C 0.141 176.481 176.300 0.067 0.000 0.983 255 R CA -1.030 55.021 56.100 -0.082 0.000 0.880 255 R CB 1.521 31.588 30.300 -0.389 0.000 1.100 255 R HN 0.210 nan 8.270 nan 0.000 0.453 256 L N 4.711 126.048 121.223 0.190 0.000 2.433 256 L HA 0.075 4.415 4.340 -0.000 0.000 0.275 256 L C 0.422 177.519 176.870 0.379 0.000 1.128 256 L CA 0.608 55.611 54.840 0.272 0.000 0.875 256 L CB 0.423 42.659 42.059 0.297 0.000 1.171 256 L HN 0.737 nan 8.230 nan 0.000 0.463 257 L N 4.246 125.682 121.223 0.355 0.000 2.354 257 L HA 0.107 4.447 4.340 -0.000 0.000 0.212 257 L C 0.784 177.972 176.870 0.529 0.000 1.091 257 L CA 0.010 55.076 54.840 0.376 0.000 0.828 257 L CB -0.337 41.870 42.059 0.247 0.000 0.973 257 L HN 0.611 nan 8.230 nan 0.000 0.461 258 H N 1.469 120.747 119.070 0.347 0.000 2.872 258 H HA 0.106 4.662 4.556 -0.000 0.000 0.273 258 H C 0.917 176.259 175.328 0.024 0.000 1.205 258 H CA -0.062 56.103 56.048 0.194 0.000 1.342 258 H CB 0.772 30.617 29.762 0.139 0.000 1.469 258 H HN 0.118 nan 8.280 nan 0.000 0.487 259 R N 4.403 124.697 120.500 -0.344 0.000 2.091 259 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 259 R C -0.951 175.112 176.300 -0.395 0.000 1.136 259 R CA 1.192 56.853 56.100 -0.732 0.000 0.959 259 R CB -0.606 29.066 30.300 -1.047 0.000 0.856 259 R HN 0.452 nan 8.270 nan 0.000 0.437 260 P HA -0.175 nan 4.420 nan 0.000 0.216 260 P C 1.254 178.547 177.300 -0.011 0.000 1.150 260 P CA 0.847 63.853 63.100 -0.156 0.000 0.837 260 P CB -0.143 31.484 31.700 -0.123 0.000 0.786 261 L N -0.159 121.132 121.223 0.114 0.000 2.081 261 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 261 L C 2.081 178.982 176.870 0.051 0.000 1.080 261 L CA 2.189 57.075 54.840 0.076 0.000 0.754 261 L CB -1.523 40.551 42.059 0.024 0.000 0.893 261 L HN -0.085 nan 8.230 nan 0.000 0.433 262 A N -1.691 121.145 122.820 0.026 0.000 2.016 262 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 262 A C 2.156 179.702 177.584 -0.063 0.000 1.162 262 A CA 0.891 52.935 52.037 0.012 0.000 0.662 262 A CB -0.361 18.664 19.000 0.041 0.000 0.812 262 A HN 0.467 nan 8.150 nan 0.000 0.450 263 E N -0.569 119.586 120.200 -0.075 0.000 2.076 263 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 263 E C 1.769 178.348 176.600 -0.035 0.000 0.979 263 E CA 1.283 57.645 56.400 -0.063 0.000 0.807 263 E CB -0.428 29.229 29.700 -0.072 0.000 0.761 263 E HN 0.815 nan 8.360 nan 0.000 0.454 264 H N 0.492 119.496 119.070 -0.110 0.000 2.422 264 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 264 H C 1.878 177.116 175.328 -0.150 0.000 1.098 264 H CA 1.512 57.495 56.048 -0.109 0.000 1.315 264 H CB 0.057 29.763 29.762 -0.094 0.000 1.382 264 H HN -0.084 nan 8.280 nan 0.000 0.523 265 V N -0.916 118.835 119.914 -0.272 0.000 2.407 265 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 265 V C 2.542 178.473 176.094 -0.273 0.000 1.041 265 V CA 1.245 63.293 62.300 -0.420 0.000 1.040 265 V CB -0.419 30.955 31.823 -0.747 0.000 0.671 265 V HN 0.302 nan 8.190 nan 0.000 0.455 266 V N 0.961 120.773 119.914 -0.170 0.000 2.407 266 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 266 V C 2.260 178.290 176.094 -0.108 0.000 1.055 266 V CA 2.032 64.276 62.300 -0.094 0.000 1.049 266 V CB -0.662 31.135 31.823 -0.044 0.000 0.662 266 V HN 0.600 nan 8.190 nan 0.000 0.455 267 N N -0.225 118.397 118.700 -0.130 0.000 2.354 267 N HA -0.045 4.695 4.740 -0.000 0.000 0.179 267 N C 1.909 177.327 175.510 -0.153 0.000 1.021 267 N CA 0.762 53.741 53.050 -0.119 0.000 0.887 267 N CB -0.214 38.219 38.487 -0.090 0.000 0.974 267 N HN 0.464 nan 8.380 nan 0.000 0.437 268 R N 0.680 121.045 120.500 -0.225 0.000 2.189 268 R HA 0.086 4.426 4.340 -0.000 0.000 0.218 268 R C 1.979 178.176 176.300 -0.171 0.000 1.074 268 R CA 0.680 56.647 56.100 -0.222 0.000 0.991 268 R CB -0.012 30.102 30.300 -0.310 0.000 0.883 268 R HN 0.370 nan 8.270 nan 0.000 0.457 269 I N -3.571 116.898 120.570 -0.169 0.000 3.854 269 I HA 0.198 4.367 4.170 -0.000 0.000 0.312 269 I C 0.274 176.299 176.117 -0.154 0.000 1.273 269 I CA -0.185 61.004 61.300 -0.186 0.000 1.298 269 I CB 0.467 38.316 38.000 -0.252 0.000 1.071 269 I HN -0.249 nan 8.210 nan 0.000 0.428 270 S N 2.135 117.765 115.700 -0.117 0.000 2.525 270 S HA 0.364 4.834 4.470 -0.000 0.000 0.285 270 S C 1.323 175.871 174.600 -0.086 0.000 1.283 270 S CA 0.827 58.973 58.200 -0.090 0.000 1.072 270 S CB 0.600 63.757 63.200 -0.072 0.000 0.867 270 S HN 0.825 nan 8.310 nan 0.000 0.492 271 G N 3.114 111.865 108.800 -0.082 0.000 2.328 271 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.256 271 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.256 271 G C 0.160 175.013 174.900 -0.079 0.000 1.014 271 G CA -0.002 45.054 45.100 -0.073 0.000 0.620 271 G HN 0.610 nan 8.290 nan 0.000 0.530 272 Q N 1.558 121.300 119.800 -0.096 0.000 2.432 272 Q HA 0.338 4.678 4.340 -0.000 0.000 0.264 272 Q C -2.002 173.941 176.000 -0.095 0.000 1.035 272 Q CA -1.139 54.607 55.803 -0.095 0.000 0.908 272 Q CB 0.418 29.088 28.738 -0.114 0.000 1.280 272 Q HN 0.409 nan 8.270 nan 0.000 0.455 273 P HA 0.193 nan 4.420 nan 0.000 0.275 273 P C -1.434 175.823 177.300 -0.072 0.000 1.227 273 P CA -0.269 62.794 63.100 -0.061 0.000 0.781 273 P CB 0.736 32.413 31.700 -0.039 0.000 0.906 274 A N 4.833 127.615 122.820 -0.063 0.000 2.360 274 A HA 0.504 4.824 4.320 -0.000 0.000 0.309 274 A C -0.168 177.416 177.584 -0.001 0.000 1.311 274 A CA -0.672 51.329 52.037 -0.061 0.000 0.805 274 A CB 0.066 19.007 19.000 -0.098 0.000 1.144 274 A HN 0.333 nan 8.150 nan 0.000 0.486 275 I N 3.447 124.025 120.570 0.015 0.000 2.325 275 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 275 I C 0.292 176.449 176.117 0.067 0.000 1.019 275 I CA -0.548 60.775 61.300 0.038 0.000 1.302 275 I CB 0.898 38.916 38.000 0.031 0.000 1.401 275 I HN 0.250 nan 8.210 nan 0.000 0.485 276 V N 6.851 126.813 119.914 0.080 0.000 2.529 276 V HA 0.055 4.175 4.120 -0.000 0.000 0.292 276 V C 1.559 177.707 176.094 0.089 0.000 1.028 276 V CA 0.351 62.713 62.300 0.103 0.000 1.074 276 V CB 0.782 32.671 31.823 0.110 0.000 0.958 276 V HN 0.968 nan 8.190 nan 0.000 0.481 277 T N -0.353 114.260 114.554 0.098 0.000 3.015 277 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 277 T C 0.534 175.284 174.700 0.082 0.000 1.057 277 T CA 0.454 62.604 62.100 0.083 0.000 1.066 277 T CB 0.297 69.214 68.868 0.083 0.000 0.959 277 T HN 0.858 nan 8.240 nan 0.000 0.488 278 S N -0.117 115.642 115.700 0.098 0.000 2.548 278 S HA 0.554 5.024 4.470 -0.000 0.000 0.278 278 S C -1.834 172.849 174.600 0.138 0.000 1.150 278 S CA -1.057 57.202 58.200 0.098 0.000 0.907 278 S CB 1.359 64.595 63.200 0.060 0.000 1.108 278 S HN 0.360 nan 8.310 nan 0.000 0.459 279 Y N 2.392 122.701 120.300 0.015 0.000 2.350 279 Y HA 0.705 5.255 4.550 -0.000 0.000 0.338 279 Y C -1.050 174.852 175.900 0.004 0.000 0.961 279 Y CA -0.467 57.635 58.100 0.003 0.000 1.100 279 Y CB 1.710 40.167 38.460 -0.004 0.000 1.179 279 Y HN 0.958 nan 8.280 nan 0.000 0.454 280 N N 4.423 122.745 118.700 -0.630 0.000 2.454 280 N HA 0.180 4.920 4.740 -0.000 0.000 0.291 280 N C -2.295 172.898 175.510 -0.528 0.000 1.079 280 N CA -0.766 52.032 53.050 -0.421 0.000 0.893 280 N CB 1.519 39.901 38.487 -0.176 0.000 1.512 280 N HN 0.587 nan 8.380 nan 0.000 0.497 281 D N 1.635 121.825 120.400 -0.349 0.000 2.462 281 D HA 0.204 4.844 4.640 -0.000 0.000 0.249 281 D C -0.971 175.294 176.300 -0.057 0.000 1.117 281 D CA -0.330 53.561 54.000 -0.181 0.000 0.900 281 D CB 0.488 41.247 40.800 -0.067 0.000 1.039 281 D HN 0.151 nan 8.370 nan 0.000 0.516 282 K N 2.067 122.439 120.400 -0.046 0.000 2.123 282 K HA 0.493 4.813 4.320 -0.000 0.000 0.259 282 K C -0.025 176.590 176.600 0.024 0.000 0.960 282 K CA -0.911 55.371 56.287 -0.008 0.000 0.872 282 K CB 1.780 34.270 32.500 -0.016 0.000 1.079 282 K HN 0.223 nan 8.250 nan 0.000 0.440 283 R N 2.074 122.594 120.500 0.035 0.000 2.234 283 R HA 0.108 4.448 4.340 -0.000 0.000 0.324 283 R C -0.405 175.934 176.300 0.065 0.000 1.054 283 R CA -0.005 56.129 56.100 0.057 0.000 0.912 283 R CB 0.667 30.995 30.300 0.047 0.000 1.030 283 R HN 0.519 nan 8.270 nan 0.000 0.455 284 E N 1.376 121.639 120.200 0.104 0.000 2.187 284 E HA 0.270 4.620 4.350 -0.000 0.000 0.268 284 E C -0.815 175.886 176.600 0.169 0.000 0.896 284 E CA -0.590 55.872 56.400 0.104 0.000 0.766 284 E CB 2.347 32.087 29.700 0.067 0.000 1.142 284 E HN 0.367 nan 8.360 nan 0.000 0.408 285 S N 1.754 117.534 115.700 0.133 0.000 2.565 285 S HA 0.259 4.729 4.470 -0.000 0.000 0.290 285 S C -0.520 174.193 174.600 0.187 0.000 1.150 285 S CA -0.663 57.635 58.200 0.162 0.000 1.058 285 S CB 1.233 64.498 63.200 0.109 0.000 1.032 285 S HN 0.509 nan 8.310 nan 0.000 0.510 286 E N 1.976 122.339 120.200 0.273 0.000 2.279 286 E HA 0.303 4.653 4.350 -0.000 0.000 0.252 286 E C -0.942 175.887 176.600 0.381 0.000 0.894 286 E CA -0.346 56.240 56.400 0.310 0.000 0.785 286 E CB 1.001 30.959 29.700 0.429 0.000 1.237 286 E HN 0.516 nan 8.360 nan 0.000 0.418 287 S N 1.781 117.586 115.700 0.174 0.000 2.569 287 S HA 0.211 4.681 4.470 -0.000 0.000 0.274 287 S C 0.250 174.695 174.600 -0.259 0.000 1.353 287 S CA 0.024 58.237 58.200 0.023 0.000 1.023 287 S CB 0.912 64.069 63.200 -0.073 0.000 0.876 287 S HN 0.643 nan 8.310 nan 0.000 0.540 288 A N 3.876 126.292 122.820 -0.674 0.000 2.483 288 A HA 0.387 4.707 4.320 -0.000 0.000 0.238 288 A C -1.849 175.188 177.584 -0.912 0.000 1.070 288 A CA -0.950 50.234 52.037 -1.421 0.000 0.770 288 A CB -0.544 17.933 19.000 -0.872 0.000 1.008 288 A HN 0.564 nan 8.150 nan 0.000 0.497 289 P HA 0.293 nan 4.420 nan 0.000 0.274 289 P C -0.457 176.524 177.300 -0.532 0.000 1.246 289 P CA -0.256 62.496 63.100 -0.580 0.000 0.795 289 P CB 0.490 31.899 31.700 -0.486 0.000 1.006 290 L N 1.878 122.835 121.223 -0.443 0.000 2.464 290 L HA 0.259 4.599 4.340 -0.000 0.000 0.264 290 L C -1.797 174.784 176.870 -0.482 0.000 1.199 290 L CA -1.945 52.602 54.840 -0.487 0.000 0.818 290 L CB -0.553 41.191 42.059 -0.525 0.000 1.102 290 L HN 0.264 nan 8.230 nan 0.000 0.473 291 P HA -0.071 nan 4.420 nan 0.000 0.269 291 P C -0.695 176.454 177.300 -0.252 0.000 1.211 291 P CA 0.026 62.894 63.100 -0.386 0.000 0.781 291 P CB 0.242 31.772 31.700 -0.284 0.000 0.877 292 F N 0.173 120.072 119.950 -0.084 0.000 2.484 292 F HA 0.144 4.671 4.527 -0.000 0.000 0.360 292 F C 1.509 177.281 175.800 -0.047 0.000 1.101 292 F CA 0.111 58.073 58.000 -0.062 0.000 1.251 292 F CB -0.206 38.772 39.000 -0.036 0.000 1.132 292 F HN 0.211 nan 8.300 nan 0.000 0.570 293 S N 3.287 119.104 115.700 0.195 0.000 2.693 293 S HA 0.338 4.808 4.470 -0.000 0.000 0.276 293 S C 0.959 175.584 174.600 0.041 0.000 1.192 293 S CA -0.855 57.403 58.200 0.095 0.000 0.994 293 S CB 1.101 64.344 63.200 0.072 0.000 1.012 293 S HN 0.625 nan 8.310 nan 0.000 0.550 294 L N 1.761 122.972 121.223 -0.021 0.000 1.990 294 L HA -0.138 4.202 4.340 -0.000 0.000 0.213 294 L C 2.673 179.490 176.870 -0.087 0.000 1.072 294 L CA 2.800 57.593 54.840 -0.079 0.000 0.755 294 L CB -1.419 40.575 42.059 -0.109 0.000 0.889 294 L HN 0.993 nan 8.230 nan 0.000 0.432 295 S N -0.684 114.987 115.700 -0.049 0.000 2.399 295 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 295 S C 2.065 176.629 174.600 -0.061 0.000 1.022 295 S CA 0.862 59.035 58.200 -0.045 0.000 0.983 295 S CB -1.032 62.161 63.200 -0.012 0.000 0.803 295 S HN 0.547 nan 8.310 nan 0.000 0.480 296 A N 1.599 124.398 122.820 -0.035 0.000 1.929 296 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 296 A C 2.175 179.545 177.584 -0.357 0.000 1.176 296 A CA 1.226 53.252 52.037 -0.019 0.000 0.628 296 A CB -0.755 18.366 19.000 0.201 0.000 0.816 296 A HN 0.508 nan 8.150 nan 0.000 0.444 297 L N 0.018 120.865 121.223 -0.625 0.000 2.017 297 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 297 L C 2.464 179.047 176.870 -0.479 0.000 1.073 297 L CA 2.421 56.657 54.840 -1.006 0.000 0.745 297 L CB -0.767 40.915 42.059 -0.628 0.000 0.894 297 L HN 0.505 nan 8.230 nan 0.000 0.432 298 Q N -0.451 119.192 119.800 -0.261 0.000 2.061 298 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 298 Q C 2.264 178.195 176.000 -0.115 0.000 0.984 298 Q CA 2.321 58.038 55.803 -0.144 0.000 0.846 298 Q CB -0.360 28.324 28.738 -0.091 0.000 0.902 298 Q HN 0.581 nan 8.270 nan 0.000 0.421 299 I N 0.531 121.037 120.570 -0.106 0.000 2.099 299 I HA -0.307 3.863 4.170 -0.000 0.000 0.239 299 I C 2.458 178.536 176.117 -0.065 0.000 1.066 299 I CA 1.414 62.681 61.300 -0.054 0.000 1.324 299 I CB -0.217 37.775 38.000 -0.013 0.000 1.037 299 I HN 0.186 nan 8.210 nan 0.000 0.401 300 E N 1.094 121.228 120.200 -0.111 0.000 2.110 300 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 300 E C 2.083 178.623 176.600 -0.099 0.000 0.988 300 E CA 1.587 57.938 56.400 -0.082 0.000 0.804 300 E CB -0.202 29.474 29.700 -0.039 0.000 0.745 300 E HN 0.443 nan 8.360 nan 0.000 0.458 301 A N 0.614 123.373 122.820 -0.101 0.000 1.933 301 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 301 A C 2.405 180.003 177.584 0.023 0.000 1.175 301 A CA 1.928 53.976 52.037 0.019 0.000 0.628 301 A CB -0.929 18.091 19.000 0.034 0.000 0.814 301 A HN 0.380 nan 8.150 nan 0.000 0.444 302 A N -0.062 122.748 122.820 -0.016 0.000 1.858 302 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 302 A C 2.135 179.699 177.584 -0.034 0.000 1.190 302 A CA 1.861 53.892 52.037 -0.010 0.000 0.617 302 A CB -0.468 18.524 19.000 -0.013 0.000 0.827 302 A HN 0.523 nan 8.150 nan 0.000 0.443 303 K N -1.128 119.237 120.400 -0.057 0.000 2.057 303 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 303 K C 2.360 178.879 176.600 -0.135 0.000 1.049 303 K CA 1.255 57.500 56.287 -0.069 0.000 0.931 303 K CB -0.138 32.331 32.500 -0.051 0.000 0.714 303 K HN 0.232 nan 8.250 nan 0.000 0.440 304 R N -0.698 119.646 120.500 -0.260 0.000 2.140 304 R HA 0.035 4.375 4.340 -0.000 0.000 0.213 304 R C 1.168 177.061 176.300 -0.678 0.000 1.059 304 R CA 1.045 56.807 56.100 -0.563 0.000 1.000 304 R CB 0.299 30.068 30.300 -0.886 0.000 0.910 304 R HN 0.190 nan 8.270 nan 0.000 0.455 305 F N -2.110 117.844 119.950 0.007 0.000 2.880 305 F HA 0.309 4.836 4.527 -0.000 0.000 0.346 305 F C 1.254 177.050 175.800 -0.006 0.000 1.054 305 F CA 0.280 58.282 58.000 0.003 0.000 1.151 305 F CB 0.505 39.508 39.000 0.005 0.000 1.066 305 F HN 0.127 nan 8.300 nan 0.000 0.566 306 G N 1.498 110.370 108.800 0.119 0.000 2.148 306 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.254 306 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.254 306 G C 0.180 175.115 174.900 0.058 0.000 0.981 306 G CA -0.071 45.066 45.100 0.062 0.000 0.670 306 G HN 0.259 nan 8.290 nan 0.000 0.528 307 L N 1.980 123.257 121.223 0.091 0.000 2.455 307 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 307 L C 1.603 178.485 176.870 0.020 0.000 1.174 307 L CA 0.334 55.205 54.840 0.052 0.000 0.869 307 L CB 0.816 42.915 42.059 0.067 0.000 1.130 307 L HN 0.493 nan 8.230 nan 0.000 0.474 308 S N 2.474 118.174 115.700 0.001 0.000 2.600 308 S HA 0.295 4.765 4.470 -0.000 0.000 0.265 308 S C 1.125 175.717 174.600 -0.014 0.000 1.325 308 S CA -0.187 58.006 58.200 -0.012 0.000 1.002 308 S CB 1.508 64.694 63.200 -0.024 0.000 0.921 308 S HN 0.688 nan 8.310 nan 0.000 0.554 309 A N 0.895 123.705 122.820 -0.016 0.000 1.898 309 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 309 A C 2.262 179.831 177.584 -0.025 0.000 1.181 309 A CA 1.806 53.829 52.037 -0.022 0.000 0.620 309 A CB -1.278 17.712 19.000 -0.017 0.000 0.819 309 A HN 0.884 nan 8.150 nan 0.000 0.442 310 Q N 0.103 119.890 119.800 -0.020 0.000 2.119 310 Q HA -0.142 4.198 4.340 -0.000 0.000 0.201 310 Q C 1.965 177.954 176.000 -0.020 0.000 0.972 310 Q CA 1.824 57.615 55.803 -0.020 0.000 0.847 310 Q CB -0.364 28.364 28.738 -0.016 0.000 0.903 310 Q HN 0.630 nan 8.270 nan 0.000 0.433 311 N N -0.723 117.966 118.700 -0.018 0.000 2.120 311 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 311 N C 1.521 177.023 175.510 -0.013 0.000 1.024 311 N CA 1.448 54.489 53.050 -0.014 0.000 0.852 311 N CB -0.212 38.268 38.487 -0.012 0.000 1.003 311 N HN 0.181 nan 8.380 nan 0.000 0.424 312 V N 1.093 120.997 119.914 -0.017 0.000 2.287 312 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 312 V C 2.434 178.511 176.094 -0.030 0.000 1.053 312 V CA 1.277 63.563 62.300 -0.023 0.000 1.027 312 V CB -0.660 31.139 31.823 -0.039 0.000 0.646 312 V HN 0.271 nan 8.190 nan 0.000 0.447 313 L N 0.708 121.909 121.223 -0.038 0.000 2.012 313 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 313 L C 2.176 179.030 176.870 -0.026 0.000 1.073 313 L CA 2.133 56.946 54.840 -0.046 0.000 0.748 313 L CB -1.173 40.856 42.059 -0.050 0.000 0.891 313 L HN 0.357 nan 8.230 nan 0.000 0.431 314 D N -0.372 120.019 120.400 -0.014 0.000 2.104 314 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 314 D C 2.343 178.651 176.300 0.013 0.000 0.994 314 D CA 1.946 55.945 54.000 -0.002 0.000 0.830 314 D CB -0.239 40.559 40.800 -0.003 0.000 0.959 314 D HN 0.440 nan 8.370 nan 0.000 0.452 315 I N 0.557 121.134 120.570 0.013 0.000 2.226 315 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 315 I C 2.497 178.646 176.117 0.052 0.000 1.100 315 I CA 0.664 61.983 61.300 0.031 0.000 1.374 315 I CB -0.177 37.834 38.000 0.018 0.000 1.057 315 I HN 0.059 nan 8.210 nan 0.000 0.413 316 C N -0.070 119.248 119.300 0.030 0.000 2.425 316 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 316 C C 2.868 177.906 174.990 0.080 0.000 1.280 316 C CA 0.900 59.941 59.018 0.037 0.000 1.744 316 C CB -0.872 26.852 27.740 -0.027 0.000 1.989 316 C HN 0.500 nan 8.230 nan 0.000 0.491 317 Q N 0.708 120.545 119.800 0.062 0.000 2.123 317 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 317 Q C 2.196 178.262 176.000 0.110 0.000 0.966 317 Q CA 1.377 57.246 55.803 0.111 0.000 0.845 317 Q CB -0.106 28.669 28.738 0.062 0.000 0.907 317 Q HN 0.562 nan 8.270 nan 0.000 0.439 318 K N -0.126 120.317 120.400 0.071 0.000 2.032 318 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 318 K C 1.705 178.375 176.600 0.117 0.000 1.048 318 K CA 1.226 57.539 56.287 0.043 0.000 0.927 318 K CB -0.199 32.345 32.500 0.073 0.000 0.712 318 K HN 0.193 nan 8.250 nan 0.000 0.441 319 L N -0.506 120.843 121.223 0.210 0.000 2.083 319 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 319 L C 2.298 179.298 176.870 0.217 0.000 1.083 319 L CA 1.259 56.246 54.840 0.247 0.000 0.752 319 L CB -0.456 41.726 42.059 0.205 0.000 0.899 319 L HN 0.296 nan 8.230 nan 0.000 0.433 320 Y N 0.590 120.926 120.300 0.060 0.000 2.206 320 Y HA -0.132 4.417 4.550 -0.000 0.000 0.292 320 Y C 2.372 178.287 175.900 0.026 0.000 1.123 320 Y CA 1.482 59.613 58.100 0.051 0.000 1.142 320 Y CB 0.072 38.558 38.460 0.043 0.000 1.006 320 Y HN 0.145 nan 8.280 nan 0.000 0.518 321 E N -1.433 118.708 120.200 -0.098 0.000 2.099 321 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 321 E C 1.912 178.389 176.600 -0.205 0.000 0.962 321 E CA 1.232 57.494 56.400 -0.230 0.000 0.826 321 E CB 0.079 29.712 29.700 -0.112 0.000 0.788 321 E HN 0.315 nan 8.360 nan 0.000 0.461 322 T N 0.459 114.891 114.554 -0.203 0.000 2.739 322 T HA -0.045 4.305 4.350 -0.000 0.000 0.249 322 T C 1.626 176.150 174.700 -0.292 0.000 1.050 322 T CA 0.792 62.706 62.100 -0.310 0.000 1.165 322 T CB -0.296 68.286 68.868 -0.477 0.000 0.872 322 T HN 0.188 nan 8.240 nan 0.000 0.411 323 H N 1.557 120.585 119.070 -0.069 0.000 2.502 323 H HA 0.172 4.728 4.556 -0.000 0.000 0.283 323 H C 0.599 175.875 175.328 -0.088 0.000 1.015 323 H CA 0.643 56.640 56.048 -0.084 0.000 1.298 323 H CB -0.082 29.622 29.762 -0.098 0.000 1.411 323 H HN 0.416 nan 8.280 nan 0.000 0.556 324 K N 0.173 120.587 120.400 0.023 0.000 3.150 324 K HA -0.169 4.151 4.320 -0.000 0.000 0.267 324 K C 0.575 177.204 176.600 0.048 0.000 1.028 324 K CA 0.153 56.438 56.287 -0.004 0.000 0.753 324 K CB -1.478 30.992 32.500 -0.050 0.000 1.288 324 K HN 0.284 nan 8.250 nan 0.000 0.473 325 L N -0.188 121.090 121.223 0.090 0.000 2.609 325 L HA 0.289 4.629 4.340 -0.000 0.000 0.230 325 L C 1.191 178.211 176.870 0.249 0.000 1.087 325 L CA 0.050 54.952 54.840 0.104 0.000 0.874 325 L CB 0.191 42.214 42.059 -0.060 0.000 1.114 325 L HN 0.347 nan 8.230 nan 0.000 0.488 326 I N -4.061 116.659 120.570 0.250 0.000 3.206 326 I HA 0.545 4.715 4.170 -0.000 0.000 0.313 326 I C 0.212 176.527 176.117 0.331 0.000 1.103 326 I CA -0.689 60.752 61.300 0.235 0.000 0.985 326 I CB 1.964 40.074 38.000 0.184 0.000 1.240 326 I HN -0.163 nan 8.210 nan 0.000 0.464 327 T N -0.784 113.935 114.554 0.274 0.000 2.849 327 T HA 0.297 4.647 4.350 -0.000 0.000 0.276 327 T C -0.186 174.478 174.700 -0.060 0.000 0.971 327 T CA -0.271 62.012 62.100 0.305 0.000 0.949 327 T CB 0.534 69.604 68.868 0.336 0.000 1.093 327 T HN 0.565 nan 8.240 nan 0.000 0.545 328 Y N 3.614 123.622 120.300 -0.486 0.000 2.863 328 Y HA 0.133 4.683 4.550 -0.000 0.000 0.359 328 Y C -1.514 174.048 175.900 -0.562 0.000 1.312 328 Y CA -1.784 55.721 58.100 -0.991 0.000 1.650 328 Y CB 0.230 38.387 38.460 -0.506 0.000 1.201 328 Y HN 0.433 nan 8.280 nan 0.000 0.531 329 P HA -0.006 nan 4.420 nan 0.000 0.249 329 P C 0.279 177.215 177.300 -0.605 0.000 1.229 329 P CA 0.838 63.614 63.100 -0.539 0.000 0.788 329 P CB 0.281 31.770 31.700 -0.351 0.000 1.072 330 R N -0.074 119.765 120.500 -1.101 0.000 2.335 330 R HA 0.164 4.504 4.340 -0.000 0.000 0.223 330 R C 1.051 177.068 176.300 -0.472 0.000 0.940 330 R CA -0.025 55.631 56.100 -0.740 0.000 1.086 330 R CB -0.092 29.765 30.300 -0.738 0.000 1.073 330 R HN 0.099 nan 8.270 nan 0.000 0.504 331 S N 1.343 116.817 115.700 -0.376 0.000 2.580 331 S HA 0.008 4.478 4.470 -0.000 0.000 0.274 331 S C 0.683 175.305 174.600 0.036 0.000 1.329 331 S CA -0.702 57.460 58.200 -0.062 0.000 1.036 331 S CB 0.992 64.271 63.200 0.132 0.000 0.919 331 S HN 0.334 nan 8.310 nan 0.000 0.515 332 D N 1.972 122.474 120.400 0.170 0.000 2.369 332 D HA 0.086 4.726 4.640 -0.000 0.000 0.211 332 D C 0.568 176.963 176.300 0.158 0.000 1.077 332 D CA -0.276 53.808 54.000 0.141 0.000 0.842 332 D CB -0.868 40.009 40.800 0.128 0.000 0.947 332 D HN 0.326 nan 8.370 nan 0.000 0.509 333 C N 1.034 120.455 119.300 0.201 0.000 2.536 333 C HA 0.399 4.859 4.460 -0.000 0.000 0.396 333 C C 1.390 176.445 174.990 0.108 0.000 1.279 333 C CA -0.511 58.588 59.018 0.136 0.000 2.148 333 C CB 0.044 27.825 27.740 0.069 0.000 2.584 333 C HN 0.255 nan 8.230 nan 0.000 0.579 334 R N 2.163 122.718 120.500 0.091 0.000 2.472 334 R HA 0.187 4.527 4.340 -0.000 0.000 0.279 334 R C -0.851 175.219 176.300 -0.383 0.000 0.953 334 R CA 0.116 56.138 56.100 -0.129 0.000 1.088 334 R CB 0.379 30.553 30.300 -0.210 0.000 1.197 334 R HN 0.692 nan 8.270 nan 0.000 0.536 335 Y N -0.006 120.226 120.300 -0.113 0.000 2.631 335 Y HA 0.540 5.090 4.550 -0.000 0.000 0.328 335 Y C 0.206 175.990 175.900 -0.193 0.000 1.118 335 Y CA -0.871 57.119 58.100 -0.184 0.000 1.206 335 Y CB 1.361 39.738 38.460 -0.138 0.000 1.337 335 Y HN -0.259 nan 8.280 nan 0.000 0.515 336 L N 1.794 122.945 121.223 -0.121 0.000 2.371 336 L HA 0.544 4.884 4.340 -0.000 0.000 0.262 336 L C -2.773 174.066 176.870 -0.052 0.000 1.006 336 L CA -2.426 52.276 54.840 -0.230 0.000 0.818 336 L CB 2.424 44.191 42.059 -0.487 0.000 1.354 336 L HN 0.287 nan 8.230 nan 0.000 0.415 337 P HA 0.105 nan 4.420 nan 0.000 0.271 337 P C 0.001 177.470 177.300 0.281 0.000 1.216 337 P CA -0.143 62.988 63.100 0.052 0.000 0.776 337 P CB 0.651 32.340 31.700 -0.018 0.000 0.881 338 E N 1.943 122.294 120.200 0.253 0.000 2.171 338 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 338 E C 1.505 178.262 176.600 0.262 0.000 0.997 338 E CA 1.341 57.904 56.400 0.271 0.000 0.810 338 E CB -0.043 29.739 29.700 0.137 0.000 0.738 338 E HN 0.680 nan 8.360 nan 0.000 0.467 339 E N 0.457 120.812 120.200 0.258 0.000 2.418 339 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 339 E C 1.486 178.275 176.600 0.314 0.000 1.026 339 E CA 0.704 57.249 56.400 0.242 0.000 0.862 339 E CB -0.144 29.676 29.700 0.200 0.000 0.799 339 E HN 0.477 nan 8.360 nan 0.000 0.518 340 H N -0.995 118.231 119.070 0.260 0.000 2.524 340 H HA -0.062 4.494 4.556 -0.000 0.000 0.282 340 H C 1.342 176.810 175.328 0.233 0.000 1.016 340 H CA 0.726 56.959 56.048 0.309 0.000 1.270 340 H CB 0.048 30.068 29.762 0.430 0.000 1.394 340 H HN 0.279 nan 8.280 nan 0.000 0.568 341 F N 1.667 121.565 119.950 -0.086 0.000 2.171 341 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 341 F C 2.513 178.184 175.800 -0.216 0.000 1.090 341 F CA 1.100 58.749 58.000 -0.586 0.000 1.293 341 F CB -0.165 38.339 39.000 -0.827 0.000 1.013 341 F HN 0.046 nan 8.300 nan 0.000 0.486 342 A N -0.269 122.543 122.820 -0.012 0.000 2.070 342 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 342 A C 2.223 179.773 177.584 -0.056 0.000 1.159 342 A CA 1.354 53.377 52.037 -0.023 0.000 0.656 342 A CB -1.521 17.512 19.000 0.054 0.000 0.800 342 A HN 0.445 nan 8.150 nan 0.000 0.453 343 G N -0.224 108.546 108.800 -0.050 0.000 3.233 343 G HA2 0.117 4.077 3.960 -0.000 0.000 0.227 343 G HA3 0.117 4.077 3.960 -0.000 0.000 0.227 343 G C 1.316 176.196 174.900 -0.035 0.000 1.175 343 G CA 0.384 45.467 45.100 -0.029 0.000 0.781 343 G HN 0.721 nan 8.290 nan 0.000 0.542 344 R N -0.259 120.139 120.500 -0.169 0.000 2.091 344 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 344 R C 1.676 177.821 176.300 -0.259 0.000 1.136 344 R CA 1.423 57.393 56.100 -0.217 0.000 0.959 344 R CB -0.864 29.073 30.300 -0.606 0.000 0.856 344 R HN 0.362 nan 8.270 nan 0.000 0.437 345 H N 0.783 119.766 119.070 -0.145 0.000 2.389 345 H HA 0.049 4.605 4.556 -0.000 0.000 0.299 345 H C 2.258 177.550 175.328 -0.060 0.000 1.081 345 H CA 1.607 57.587 56.048 -0.114 0.000 1.345 345 H CB -0.092 29.605 29.762 -0.108 0.000 1.393 345 H HN 0.490 nan 8.280 nan 0.000 0.520 346 A N 0.800 123.663 122.820 0.072 0.000 1.929 346 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 346 A C 2.794 180.394 177.584 0.027 0.000 1.176 346 A CA 1.111 53.174 52.037 0.043 0.000 0.628 346 A CB -0.634 18.385 19.000 0.031 0.000 0.816 346 A HN 0.184 nan 8.150 nan 0.000 0.444 347 V N -0.231 119.689 119.914 0.010 0.000 2.307 347 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 347 V C 2.601 178.687 176.094 -0.013 0.000 1.045 347 V CA 2.223 64.504 62.300 -0.032 0.000 1.024 347 V CB -0.709 31.038 31.823 -0.127 0.000 0.651 347 V HN 0.569 nan 8.190 nan 0.000 0.449 348 M N 0.391 119.997 119.600 0.009 0.000 2.149 348 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 348 M C 2.149 178.469 176.300 0.033 0.000 1.064 348 M CA 2.082 57.396 55.300 0.023 0.000 1.102 348 M CB -0.588 31.985 32.600 -0.045 0.000 1.369 348 M HN 0.463 nan 8.290 nan 0.000 0.408 349 N N 0.665 119.383 118.700 0.030 0.000 2.166 349 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 349 N C 1.483 177.002 175.510 0.015 0.000 1.019 349 N CA 1.842 54.904 53.050 0.020 0.000 0.856 349 N CB -0.069 38.428 38.487 0.017 0.000 0.993 349 N HN 0.304 nan 8.380 nan 0.000 0.426 350 A N 0.223 123.074 122.820 0.052 0.000 1.969 350 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 350 A C 2.278 179.961 177.584 0.166 0.000 1.169 350 A CA 0.856 52.954 52.037 0.103 0.000 0.635 350 A CB -0.605 18.513 19.000 0.197 0.000 0.810 350 A HN 0.390 nan 8.150 nan 0.000 0.445 351 I N 0.694 121.371 120.570 0.179 0.000 2.315 351 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 351 I C 2.796 179.001 176.117 0.147 0.000 1.117 351 I CA 1.483 62.930 61.300 0.244 0.000 1.404 351 I CB -0.215 37.887 38.000 0.170 0.000 1.071 351 I HN 0.490 nan 8.210 nan 0.000 0.419 352 S N 0.222 115.959 115.700 0.062 0.000 2.423 352 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 352 S C 1.907 176.481 174.600 -0.044 0.000 1.014 352 S CA 0.854 59.066 58.200 0.020 0.000 0.965 352 S CB -0.682 62.523 63.200 0.008 0.000 0.785 352 S HN 0.237 nan 8.310 nan 0.000 0.495 353 V N 2.127 121.958 119.914 -0.138 0.000 2.255 353 V HA -0.088 4.032 4.120 -0.000 0.000 0.243 353 V C 2.654 178.556 176.094 -0.321 0.000 1.038 353 V CA 1.754 63.870 62.300 -0.306 0.000 1.008 353 V CB -0.846 30.642 31.823 -0.558 0.000 0.645 353 V HN 0.600 nan 8.190 nan 0.000 0.449 354 H N 0.048 119.091 119.070 -0.045 0.000 2.482 354 H HA 0.334 4.890 4.556 -0.000 0.000 0.286 354 H C 1.095 176.384 175.328 -0.065 0.000 1.017 354 H CA 1.108 57.056 56.048 -0.165 0.000 1.322 354 H CB 0.161 29.636 29.762 -0.478 0.000 1.426 354 H HN 0.451 nan 8.280 nan 0.000 0.546 355 A N 1.426 124.358 122.820 0.187 0.000 3.159 355 A HA 0.377 4.697 4.320 -0.000 0.000 0.330 355 A C -1.928 175.730 177.584 0.123 0.000 1.032 355 A CA -1.194 50.962 52.037 0.198 0.000 0.841 355 A CB 0.607 19.812 19.000 0.343 0.000 1.093 355 A HN -0.046 nan 8.150 nan 0.000 0.478 356 P HA -0.142 nan 4.420 nan 0.000 0.218 356 P C 0.380 177.712 177.300 0.053 0.000 1.148 356 P CA 1.443 64.568 63.100 0.042 0.000 0.822 356 P CB 0.224 31.936 31.700 0.019 0.000 0.784 357 D N -1.796 118.644 120.400 0.065 0.000 2.363 357 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 357 D C 1.645 177.991 176.300 0.076 0.000 0.994 357 D CA 0.528 54.567 54.000 0.064 0.000 0.890 357 D CB -0.298 40.541 40.800 0.066 0.000 0.906 357 D HN 0.168 nan 8.370 nan 0.000 0.530 358 L N -0.601 120.676 121.223 0.091 0.000 2.253 358 L HA 0.230 4.570 4.340 -0.000 0.000 0.205 358 L C 0.451 177.371 176.870 0.085 0.000 1.078 358 L CA 0.452 55.352 54.840 0.099 0.000 0.805 358 L CB 0.396 42.530 42.059 0.126 0.000 0.963 358 L HN -0.007 nan 8.230 nan 0.000 0.459 359 L N -0.352 120.916 121.223 0.075 0.000 2.401 359 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 359 L C -2.418 174.476 176.870 0.041 0.000 0.991 359 L CA -1.872 53.002 54.840 0.057 0.000 0.818 359 L CB 2.398 44.491 42.059 0.057 0.000 1.321 359 L HN -0.210 nan 8.230 nan 0.000 0.413 360 P HA 0.223 nan 4.420 nan 0.000 0.274 360 P C -1.513 175.808 177.300 0.036 0.000 1.231 360 P CA -0.379 62.739 63.100 0.030 0.000 0.790 360 P CB 0.765 32.477 31.700 0.021 0.000 0.951 361 Q N 2.709 122.531 119.800 0.038 0.000 2.371 361 Q HA 0.254 4.594 4.340 -0.000 0.000 0.244 361 Q C -2.370 173.654 176.000 0.040 0.000 0.882 361 Q CA -1.373 54.456 55.803 0.042 0.000 0.866 361 Q CB 1.118 29.890 28.738 0.056 0.000 1.399 361 Q HN 0.079 nan 8.270 nan 0.000 0.432 362 P HA -0.185 nan 4.420 nan 0.000 0.217 362 P C 0.946 178.271 177.300 0.041 0.000 1.148 362 P CA 1.012 64.131 63.100 0.032 0.000 0.828 362 P CB 0.260 31.975 31.700 0.025 0.000 0.783 363 V N -0.303 119.639 119.914 0.048 0.000 2.490 363 V HA -0.123 3.997 4.120 -0.000 0.000 0.250 363 V C 1.535 177.681 176.094 0.085 0.000 1.061 363 V CA 0.898 63.235 62.300 0.061 0.000 1.064 363 V CB -0.790 31.069 31.823 0.060 0.000 0.670 363 V HN -0.069 nan 8.190 nan 0.000 0.461 364 V N 2.244 122.209 119.914 0.084 0.000 2.450 364 V HA 0.113 4.233 4.120 -0.000 0.000 0.281 364 V C -0.070 176.067 176.094 0.071 0.000 1.019 364 V CA 0.243 62.601 62.300 0.097 0.000 1.062 364 V CB 0.796 32.661 31.823 0.070 0.000 0.979 364 V HN 0.449 nan 8.190 nan 0.000 0.477 365 D N 7.436 127.907 120.400 0.119 0.000 2.454 365 D HA 0.389 5.029 4.640 -0.000 0.000 0.247 365 D C -1.828 174.544 176.300 0.120 0.000 1.129 365 D CA -2.184 51.878 54.000 0.103 0.000 0.877 365 D CB 2.358 43.231 40.800 0.122 0.000 1.082 365 D HN 0.170 nan 8.370 nan 0.000 0.537 366 P HA -0.070 nan 4.420 nan 0.000 0.221 366 P C 0.665 178.021 177.300 0.093 0.000 1.145 366 P CA 0.638 63.632 63.100 -0.178 0.000 0.795 366 P CB 0.441 31.965 31.700 -0.293 0.000 0.775 367 D N -0.424 120.069 120.400 0.155 0.000 2.221 367 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 367 D C 0.838 177.316 176.300 0.296 0.000 0.982 367 D CA 0.779 54.905 54.000 0.211 0.000 0.857 367 D CB -0.554 40.328 40.800 0.137 0.000 0.934 367 D HN 0.250 nan 8.370 nan 0.000 0.475 368 I N 1.035 121.804 120.570 0.332 0.000 2.452 368 I HA 0.062 4.232 4.170 -0.000 0.000 0.287 368 I C 0.888 177.181 176.117 0.293 0.000 1.079 368 I CA -0.080 61.377 61.300 0.262 0.000 1.387 368 I CB 0.712 38.840 38.000 0.214 0.000 1.404 368 I HN -0.276 nan 8.210 nan 0.000 0.522 369 R N 6.924 127.445 120.500 0.036 0.000 2.312 369 R HA 0.206 4.546 4.340 -0.000 0.000 0.310 369 R C -0.248 176.043 176.300 -0.016 0.000 1.064 369 R CA -0.577 55.400 56.100 -0.204 0.000 0.983 369 R CB 0.403 30.209 30.300 -0.822 0.000 1.139 369 R HN 0.772 nan 8.270 nan 0.000 0.536 370 N N 3.252 122.029 118.700 0.129 0.000 2.385 370 N HA -0.026 4.714 4.740 -0.000 0.000 0.291 370 N C 0.890 176.459 175.510 0.099 0.000 1.298 370 N CA -0.213 52.869 53.050 0.053 0.000 0.955 370 N CB 0.161 38.614 38.487 -0.058 0.000 1.096 370 N HN 0.533 nan 8.380 nan 0.000 0.543 371 R N -1.117 119.380 120.500 -0.005 0.000 2.189 371 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 371 R C 1.776 178.090 176.300 0.022 0.000 1.074 371 R CA 1.364 57.476 56.100 0.019 0.000 0.991 371 R CB -1.178 29.123 30.300 0.001 0.000 0.883 371 R HN 0.664 nan 8.270 nan 0.000 0.457 372 C N -0.663 118.508 119.300 -0.215 0.000 2.472 372 C HA 0.153 4.613 4.460 -0.000 0.000 0.278 372 C C 0.263 175.047 174.990 -0.344 0.000 1.447 372 C CA -1.342 57.427 59.018 -0.416 0.000 1.773 372 C CB -1.482 25.790 27.740 -0.780 0.000 1.793 372 C HN 0.520 nan 8.230 nan 0.000 0.544 373 W N 2.209 123.509 121.300 0.001 0.000 2.360 373 W HA 0.551 5.211 4.660 -0.000 0.000 0.344 373 W C -0.013 176.514 176.519 0.013 0.000 1.025 373 W CA -0.353 56.996 57.345 0.007 0.000 1.480 373 W CB 0.059 29.494 29.460 -0.042 0.000 1.350 373 W HN 0.181 nan 8.180 nan 0.000 0.382 374 D N 2.369 122.870 120.400 0.167 0.000 2.470 374 D HA 0.033 4.673 4.640 -0.000 0.000 0.233 374 D C 0.434 176.733 176.300 -0.003 0.000 1.372 374 D CA -0.233 53.796 54.000 0.049 0.000 0.994 374 D CB 1.296 42.065 40.800 -0.052 0.000 1.377 374 D HN 0.187 nan 8.370 nan 0.000 0.586 375 D N 2.248 122.654 120.400 0.010 0.000 2.144 375 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 375 D C 1.519 177.788 176.300 -0.051 0.000 0.984 375 D CA 0.882 54.880 54.000 -0.003 0.000 0.834 375 D CB 0.438 41.247 40.800 0.014 0.000 0.955 375 D HN 0.464 nan 8.370 nan 0.000 0.465 376 K N 0.472 120.826 120.400 -0.078 0.000 2.211 376 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 376 K C 1.456 177.958 176.600 -0.163 0.000 1.047 376 K CA 0.939 57.161 56.287 -0.108 0.000 0.935 376 K CB 0.103 32.536 32.500 -0.111 0.000 0.728 376 K HN 0.089 nan 8.250 nan 0.000 0.452 377 K N 0.300 120.553 120.400 -0.244 0.000 2.399 377 K HA 0.157 4.477 4.320 -0.000 0.000 0.204 377 K C -0.635 175.836 176.600 -0.216 0.000 1.023 377 K CA -0.115 55.952 56.287 -0.367 0.000 1.127 377 K CB 1.264 33.218 32.500 -0.910 0.000 0.856 377 K HN -0.131 nan 8.250 nan 0.000 0.514 378 V N 0.751 120.591 119.914 -0.123 0.000 2.656 378 V HA 0.195 4.315 4.120 -0.000 0.000 0.307 378 V C -0.852 175.194 176.094 -0.080 0.000 1.051 378 V CA -0.528 61.730 62.300 -0.070 0.000 0.893 378 V CB 2.059 33.877 31.823 -0.008 0.000 0.999 378 V HN 0.086 nan 8.190 nan 0.000 0.426 379 D N 3.432 123.759 120.400 -0.122 0.000 3.168 379 D HA 0.376 5.016 4.640 -0.000 0.000 0.219 379 D C 1.258 177.546 176.300 -0.020 0.000 1.310 379 D CA 0.822 54.775 54.000 -0.078 0.000 1.348 379 D CB 0.752 41.501 40.800 -0.086 0.000 0.925 379 D HN 0.568 nan 8.370 nan 0.000 0.185 380 A N 0.265 123.081 122.820 -0.007 0.000 2.095 380 A HA 0.046 4.366 4.320 -0.000 0.000 0.212 380 A C 0.732 178.376 177.584 0.099 0.000 1.162 380 A CA 0.737 52.838 52.037 0.107 0.000 0.753 380 A CB -0.336 18.783 19.000 0.198 0.000 0.840 380 A HN 0.511 nan 8.150 nan 0.000 0.468 381 H N -1.641 117.442 119.070 0.021 0.000 2.907 381 H HA 0.704 5.260 4.556 -0.000 0.000 0.361 381 H C -0.858 174.485 175.328 0.024 0.000 1.194 381 H CA -0.173 55.850 56.048 -0.042 0.000 1.152 381 H CB 0.923 30.689 29.762 0.007 0.000 1.867 381 H HN 0.461 nan 8.280 nan 0.000 0.561 382 H N -0.543 118.618 119.070 0.153 0.000 2.959 382 H HA 0.703 5.259 4.556 -0.000 0.000 0.296 382 H C -0.620 174.764 175.328 0.093 0.000 1.421 382 H CA -0.705 55.373 56.048 0.050 0.000 1.206 382 H CB 0.397 30.137 29.762 -0.037 0.000 1.891 382 H HN 0.901 nan 8.280 nan 0.000 0.573 383 A N 0.361 123.346 122.820 0.275 0.000 2.492 383 A HA 0.316 4.636 4.320 -0.000 0.000 0.236 383 A C 0.005 177.734 177.584 0.242 0.000 1.078 383 A CA -0.294 51.844 52.037 0.167 0.000 0.773 383 A CB -0.573 18.441 19.000 0.024 0.000 1.023 383 A HN 0.557 nan 8.150 nan 0.000 0.504 384 I N 1.848 122.511 120.570 0.154 0.000 2.337 384 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 384 I C 0.167 176.373 176.117 0.149 0.000 1.046 384 I CA 0.358 61.739 61.300 0.136 0.000 1.324 384 I CB -0.063 37.980 38.000 0.072 0.000 1.409 384 I HN 0.579 nan 8.210 nan 0.000 0.494 385 I N 4.733 125.401 120.570 0.163 0.000 3.074 385 I HA 0.718 4.888 4.170 -0.000 0.000 0.310 385 I C -2.888 173.238 176.117 0.014 0.000 1.153 385 I CA -2.809 58.541 61.300 0.083 0.000 0.993 385 I CB 2.070 40.151 38.000 0.134 0.000 1.237 385 I HN 0.147 nan 8.210 nan 0.000 0.443 386 P HA 0.202 nan 4.420 nan 0.000 0.272 386 P C -0.476 176.825 177.300 0.002 0.000 1.240 386 P CA -0.070 62.981 63.100 -0.081 0.000 0.791 386 P CB 0.556 32.141 31.700 -0.192 0.000 0.978 387 T N -2.645 111.970 114.554 0.101 0.000 2.880 387 T HA 0.569 4.919 4.350 -0.000 0.000 0.279 387 T C 0.870 175.621 174.700 0.084 0.000 0.990 387 T CA -0.459 61.702 62.100 0.102 0.000 0.938 387 T CB 0.623 69.567 68.868 0.126 0.000 1.206 387 T HN 0.263 nan 8.240 nan 0.000 0.573 388 A N -0.521 122.343 122.820 0.072 0.000 2.307 388 A HA 0.290 4.610 4.320 -0.000 0.000 0.218 388 A C 1.128 178.765 177.584 0.088 0.000 1.228 388 A CA -0.383 51.693 52.037 0.066 0.000 0.857 388 A CB -0.538 18.485 19.000 0.039 0.000 0.897 388 A HN 0.709 nan 8.150 nan 0.000 0.495 389 R N 1.114 121.680 120.500 0.110 0.000 2.421 389 R HA 0.153 4.493 4.340 -0.000 0.000 0.305 389 R C 0.650 177.095 176.300 0.241 0.000 1.039 389 R CA 0.805 56.980 56.100 0.125 0.000 1.003 389 R CB 0.318 30.669 30.300 0.085 0.000 0.959 389 R HN 0.398 nan 8.270 nan 0.000 0.427 390 S N 0.511 116.305 115.700 0.157 0.000 2.666 390 S HA 0.046 4.516 4.470 -0.000 0.000 0.239 390 S C 0.137 174.752 174.600 0.026 0.000 1.031 390 S CA -0.485 57.764 58.200 0.081 0.000 1.015 390 S CB 0.410 63.613 63.200 0.004 0.000 0.981 390 S HN 0.517 nan 8.310 nan 0.000 0.547 391 S N 1.913 117.666 115.700 0.088 0.000 2.585 391 S HA 0.677 5.147 4.470 -0.000 0.000 0.273 391 S C 0.435 175.099 174.600 0.107 0.000 1.339 391 S CA -0.349 57.886 58.200 0.059 0.000 1.028 391 S CB 0.643 63.872 63.200 0.049 0.000 0.906 391 S HN 0.726 nan 8.310 nan 0.000 0.528 392 A N 2.881 125.729 122.820 0.047 0.000 2.522 392 A HA 0.456 4.776 4.320 -0.000 0.000 0.256 392 A C -0.021 177.606 177.584 0.072 0.000 1.086 392 A CA -0.201 51.866 52.037 0.050 0.000 0.763 392 A CB -0.623 18.380 19.000 0.005 0.000 1.024 392 A HN 0.689 nan 8.150 nan 0.000 0.502 393 I N 2.699 123.325 120.570 0.093 0.000 2.569 393 I HA 0.308 4.478 4.170 -0.000 0.000 0.296 393 I C -0.244 175.843 176.117 -0.050 0.000 1.028 393 I CA -0.810 60.494 61.300 0.007 0.000 1.082 393 I CB 1.960 39.908 38.000 -0.087 0.000 1.264 393 I HN 0.628 nan 8.210 nan 0.000 0.429 394 N N 6.197 124.859 118.700 -0.063 0.000 2.425 394 N HA 0.503 5.243 4.740 -0.000 0.000 0.268 394 N C -1.205 174.202 175.510 -0.172 0.000 0.991 394 N CA -0.333 52.665 53.050 -0.086 0.000 0.931 394 N CB 1.460 39.926 38.487 -0.035 0.000 1.130 394 N HN 0.427 nan 8.380 nan 0.000 0.493 395 L N 1.814 122.920 121.223 -0.195 0.000 2.334 395 L HA 0.427 4.767 4.340 -0.000 0.000 0.276 395 L C 1.205 177.996 176.870 -0.132 0.000 1.014 395 L CA -0.911 53.781 54.840 -0.246 0.000 0.815 395 L CB 1.726 43.625 42.059 -0.268 0.000 1.268 395 L HN 0.482 nan 8.230 nan 0.000 0.428 396 T N -2.689 111.803 114.554 -0.103 0.000 2.748 396 T HA 0.046 4.396 4.350 -0.000 0.000 0.304 396 T C 0.968 175.622 174.700 -0.076 0.000 1.041 396 T CA -0.489 61.572 62.100 -0.065 0.000 1.033 396 T CB 1.250 70.095 68.868 -0.039 0.000 0.995 396 T HN 0.659 nan 8.240 nan 0.000 0.536 397 E N 0.720 120.878 120.200 -0.071 0.000 2.049 397 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 397 E C 2.002 178.525 176.600 -0.128 0.000 1.007 397 E CA 1.584 57.929 56.400 -0.092 0.000 0.809 397 E CB -0.165 29.484 29.700 -0.084 0.000 0.749 397 E HN 0.572 nan 8.360 nan 0.000 0.450 398 N N 0.667 119.299 118.700 -0.115 0.000 2.142 398 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 398 N C 1.610 177.067 175.510 -0.088 0.000 1.023 398 N CA 0.949 53.923 53.050 -0.126 0.000 0.852 398 N CB -0.283 38.156 38.487 -0.080 0.000 0.998 398 N HN 0.258 nan 8.380 nan 0.000 0.424 399 E N 0.370 120.534 120.200 -0.060 0.000 2.153 399 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 399 E C 1.796 178.384 176.600 -0.021 0.000 0.988 399 E CA 0.979 57.356 56.400 -0.037 0.000 0.811 399 E CB -0.016 29.642 29.700 -0.070 0.000 0.746 399 E HN 0.373 nan 8.360 nan 0.000 0.466 400 A N 1.274 124.062 122.820 -0.053 0.000 1.897 400 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 400 A C 1.898 179.499 177.584 0.027 0.000 1.181 400 A CA 1.141 53.170 52.037 -0.013 0.000 0.620 400 A CB -0.137 18.834 19.000 -0.048 0.000 0.821 400 A HN 0.015 nan 8.150 nan 0.000 0.443 401 K N -0.354 119.988 120.400 -0.097 0.000 2.002 401 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 401 K C 1.897 178.516 176.600 0.033 0.000 1.048 401 K CA 1.559 57.737 56.287 -0.182 0.000 0.930 401 K CB -0.413 31.682 32.500 -0.676 0.000 0.714 401 K HN 0.277 nan 8.250 nan 0.000 0.438 402 V N 0.586 120.521 119.914 0.034 0.000 2.343 402 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 402 V C 2.027 178.202 176.094 0.135 0.000 1.051 402 V CA 1.672 64.025 62.300 0.089 0.000 1.036 402 V CB -0.542 31.312 31.823 0.053 0.000 0.654 402 V HN 0.283 nan 8.190 nan 0.000 0.451 403 Y N 1.388 121.709 120.300 0.035 0.000 2.097 403 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 403 Y C 2.597 178.557 175.900 0.100 0.000 1.152 403 Y CA 2.190 60.321 58.100 0.052 0.000 1.136 403 Y CB -0.473 37.992 38.460 0.009 0.000 0.975 403 Y HN 0.270 nan 8.280 nan 0.000 0.498 404 N N 0.205 119.041 118.700 0.227 0.000 2.061 404 N HA -0.261 4.479 4.740 -0.000 0.000 0.193 404 N C 1.891 177.493 175.510 0.153 0.000 1.030 404 N CA 1.993 55.151 53.050 0.180 0.000 0.856 404 N CB -0.455 38.157 38.487 0.208 0.000 1.023 404 N HN 0.379 nan 8.380 nan 0.000 0.424 405 L N 1.013 122.364 121.223 0.215 0.000 2.013 405 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 405 L C 2.323 179.393 176.870 0.332 0.000 1.073 405 L CA 1.157 56.186 54.840 0.315 0.000 0.753 405 L CB -0.376 41.874 42.059 0.318 0.000 0.890 405 L HN 0.179 nan 8.230 nan 0.000 0.432 406 I N -0.617 120.065 120.570 0.187 0.000 2.202 406 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 406 I C 2.773 178.879 176.117 -0.019 0.000 1.091 406 I CA 1.127 62.507 61.300 0.133 0.000 1.368 406 I CB -0.457 37.546 38.000 0.005 0.000 1.058 406 I HN 0.190 nan 8.210 nan 0.000 0.410 407 A N 0.737 123.441 122.820 -0.193 0.000 1.877 407 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 407 A C 2.454 180.077 177.584 0.065 0.000 1.186 407 A CA 1.765 53.712 52.037 -0.151 0.000 0.620 407 A CB -0.679 18.158 19.000 -0.271 0.000 0.822 407 A HN 0.329 nan 8.150 nan 0.000 0.443 408 R N -0.901 119.647 120.500 0.080 0.000 2.091 408 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 408 R C 2.396 178.735 176.300 0.066 0.000 1.136 408 R CA 2.022 58.189 56.100 0.110 0.000 0.959 408 R CB -0.279 30.100 30.300 0.132 0.000 0.856 408 R HN 0.562 nan 8.270 nan 0.000 0.437 409 Q N -0.450 119.335 119.800 -0.026 0.000 2.050 409 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 409 Q C 1.775 177.695 176.000 -0.134 0.000 0.980 409 Q CA 2.075 57.730 55.803 -0.248 0.000 0.840 409 Q CB -0.528 27.775 28.738 -0.724 0.000 0.898 409 Q HN 0.510 nan 8.270 nan 0.000 0.424 410 Y N 0.126 120.350 120.300 -0.127 0.000 2.151 410 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 410 Y C 1.581 177.555 175.900 0.124 0.000 1.166 410 Y CA 1.835 59.921 58.100 -0.025 0.000 1.163 410 Y CB -0.135 38.352 38.460 0.044 0.000 0.974 410 Y HN 0.144 nan 8.280 nan 0.000 0.511 411 L N -0.483 120.905 121.223 0.274 0.000 2.191 411 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 411 L C 2.399 179.391 176.870 0.203 0.000 1.103 411 L CA 1.241 56.250 54.840 0.282 0.000 0.769 411 L CB -0.517 41.680 42.059 0.231 0.000 0.908 411 L HN 0.382 nan 8.230 nan 0.000 0.438 412 M N -0.872 118.768 119.600 0.066 0.000 2.159 412 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 412 M C 2.116 178.372 176.300 -0.074 0.000 1.063 412 M CA 1.385 56.699 55.300 0.024 0.000 1.110 412 M CB -0.327 32.213 32.600 -0.100 0.000 1.374 412 M HN 0.225 nan 8.290 nan 0.000 0.411 413 Q N -0.247 119.410 119.800 -0.239 0.000 2.443 413 Q HA -0.092 4.248 4.340 -0.000 0.000 0.213 413 Q C 0.837 176.560 176.000 -0.463 0.000 0.982 413 Q CA 1.329 56.860 55.803 -0.453 0.000 0.894 413 Q CB -0.414 27.879 28.738 -0.742 0.000 0.947 413 Q HN 0.577 nan 8.270 nan 0.000 0.480 414 F N -1.369 118.581 119.950 0.001 0.000 2.698 414 F HA 0.211 4.738 4.527 -0.000 0.000 0.304 414 F C 0.232 176.070 175.800 0.064 0.000 1.108 414 F CA -0.711 57.321 58.000 0.053 0.000 1.263 414 F CB 0.508 39.522 39.000 0.024 0.000 1.013 414 F HN -0.180 nan 8.300 nan 0.000 0.532 415 C N 2.903 122.324 119.300 0.202 0.000 2.355 415 C HA 0.498 4.958 4.460 -0.000 0.000 0.332 415 C C -1.700 173.394 174.990 0.174 0.000 1.255 415 C CA -1.722 57.412 59.018 0.193 0.000 1.792 415 C CB 1.159 29.039 27.740 0.234 0.000 2.300 415 C HN 0.123 nan 8.230 nan 0.000 0.515 416 P HA 0.072 nan 4.420 nan 0.000 0.270 416 P C -0.484 176.931 177.300 0.192 0.000 1.227 416 P CA 0.107 63.287 63.100 0.132 0.000 0.788 416 P CB 0.492 32.248 31.700 0.094 0.000 0.926 417 D N -0.662 119.846 120.400 0.180 0.000 2.419 417 D HA 0.156 4.796 4.640 -0.000 0.000 0.236 417 D C 0.466 176.877 176.300 0.185 0.000 1.165 417 D CA 0.433 54.588 54.000 0.258 0.000 0.882 417 D CB 0.144 41.051 40.800 0.179 0.000 1.201 417 D HN 0.376 nan 8.370 nan 0.000 0.443 418 A N 1.297 124.225 122.820 0.179 0.000 2.440 418 A HA 0.359 4.679 4.320 -0.000 0.000 0.251 418 A C -0.130 177.459 177.584 0.007 0.000 1.089 418 A CA -0.448 51.535 52.037 -0.091 0.000 0.779 418 A CB 0.394 19.241 19.000 -0.255 0.000 1.022 418 A HN 0.301 nan 8.150 nan 0.000 0.492 419 V N 3.306 123.151 119.914 -0.114 0.000 2.384 419 V HA 0.423 4.543 4.120 -0.000 0.000 0.287 419 V C -0.696 175.312 176.094 -0.142 0.000 1.020 419 V CA -0.225 62.061 62.300 -0.022 0.000 0.850 419 V CB 0.623 32.445 31.823 -0.001 0.000 0.987 419 V HN 0.696 nan 8.190 nan 0.000 0.436 420 F N 3.382 123.336 119.950 0.006 0.000 2.425 420 F HA 0.616 5.143 4.527 -0.000 0.000 0.331 420 F C 0.855 176.668 175.800 0.021 0.000 1.085 420 F CA -0.671 57.336 58.000 0.011 0.000 1.028 420 F CB 1.412 40.408 39.000 -0.007 0.000 1.177 420 F HN 0.253 nan 8.300 nan 0.000 0.487 421 R N 2.085 122.710 120.500 0.209 0.000 2.295 421 R HA 0.312 4.652 4.340 -0.000 0.000 0.324 421 R C -0.678 175.710 176.300 0.147 0.000 0.968 421 R CA -0.854 55.331 56.100 0.142 0.000 0.837 421 R CB 1.689 32.049 30.300 0.100 0.000 1.133 421 R HN 0.536 nan 8.270 nan 0.000 0.450 422 K N 2.889 123.337 120.400 0.079 0.000 2.240 422 K HA 0.219 4.539 4.320 -0.000 0.000 0.271 422 K C -1.035 175.549 176.600 -0.026 0.000 1.018 422 K CA -0.385 55.922 56.287 0.033 0.000 0.874 422 K CB 1.168 33.665 32.500 -0.004 0.000 1.098 422 K HN 0.529 nan 8.250 nan 0.000 0.458 423 C N 4.686 123.970 119.300 -0.026 0.000 2.329 423 C HA 0.673 5.133 4.460 -0.000 0.000 0.329 423 C C -0.893 174.020 174.990 -0.129 0.000 1.275 423 C CA -0.387 58.554 59.018 -0.128 0.000 1.726 423 C CB 0.435 28.120 27.740 -0.092 0.000 2.291 423 C HN 0.589 nan 8.230 nan 0.000 0.514 424 V N 7.681 127.468 119.914 -0.212 0.000 2.569 424 V HA 0.460 4.580 4.120 -0.000 0.000 0.301 424 V C -0.432 175.585 176.094 -0.128 0.000 1.044 424 V CA -0.223 62.001 62.300 -0.126 0.000 0.874 424 V CB 1.534 33.302 31.823 -0.091 0.000 1.002 424 V HN 0.749 nan 8.190 nan 0.000 0.424 425 I N 4.007 124.555 120.570 -0.037 0.000 2.362 425 I HA 0.479 4.649 4.170 -0.000 0.000 0.289 425 I C 0.008 176.187 176.117 0.104 0.000 0.994 425 I CA -0.396 60.931 61.300 0.045 0.000 1.158 425 I CB 1.711 39.730 38.000 0.032 0.000 1.315 425 I HN 0.586 nan 8.210 nan 0.000 0.451 426 E N 7.057 127.325 120.200 0.112 0.000 2.151 426 E HA 0.633 4.983 4.350 -0.000 0.000 0.275 426 E C -1.129 175.568 176.600 0.162 0.000 0.936 426 E CA -0.611 55.870 56.400 0.134 0.000 0.777 426 E CB 2.241 31.999 29.700 0.096 0.000 1.108 426 E HN 0.414 nan 8.360 nan 0.000 0.401 427 L N 1.925 123.272 121.223 0.207 0.000 2.301 427 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 427 L C -0.527 176.463 176.870 0.200 0.000 1.016 427 L CA -1.004 53.948 54.840 0.186 0.000 0.821 427 L CB 1.681 43.845 42.059 0.175 0.000 1.346 427 L HN 0.360 nan 8.230 nan 0.000 0.429 428 D N 1.440 121.920 120.400 0.135 0.000 2.278 428 D HA 0.715 5.355 4.640 -0.000 0.000 0.245 428 D C -0.999 175.332 176.300 0.051 0.000 1.052 428 D CA 0.073 54.152 54.000 0.132 0.000 0.834 428 D CB 1.988 42.845 40.800 0.096 0.000 1.194 428 D HN 0.238 nan 8.370 nan 0.000 0.481 429 I N 1.049 121.645 120.570 0.044 0.000 2.571 429 I HA 0.415 4.585 4.170 -0.000 0.000 0.286 429 I C 0.025 176.120 176.117 -0.037 0.000 1.134 429 I CA -1.110 60.127 61.300 -0.104 0.000 1.052 429 I CB 2.049 39.797 38.000 -0.420 0.000 1.237 429 I HN 0.470 nan 8.210 nan 0.000 0.435 430 A N 5.768 128.559 122.820 -0.047 0.000 2.415 430 A HA -0.224 4.096 4.320 -0.000 0.000 0.292 430 A C 1.279 178.868 177.584 0.009 0.000 1.452 430 A CA 1.233 53.247 52.037 -0.037 0.000 0.750 430 A CB -1.089 17.858 19.000 -0.087 0.000 1.099 430 A HN 0.881 nan 8.150 nan 0.000 0.391 431 K N -3.961 116.465 120.400 0.042 0.000 3.596 431 K HA -0.229 4.091 4.320 -0.000 0.000 0.295 431 K C 0.747 177.427 176.600 0.134 0.000 1.230 431 K CA 1.923 58.254 56.287 0.073 0.000 1.029 431 K CB -2.311 30.222 32.500 0.054 0.000 1.303 431 K HN 2.048 nan 8.250 nan 0.000 0.442 432 G N 1.065 109.975 108.800 0.184 0.000 2.476 432 G HA2 0.462 4.422 3.960 -0.000 0.000 0.286 432 G HA3 0.462 4.422 3.960 -0.000 0.000 0.286 432 G C -0.607 174.563 174.900 0.449 0.000 1.177 432 G CA -0.439 44.858 45.100 0.328 0.000 0.870 432 G HN -0.066 nan 8.290 nan 0.000 0.528 433 K N 0.048 120.704 120.400 0.426 0.000 2.213 433 K HA 0.573 4.893 4.320 -0.000 0.000 0.270 433 K C -1.284 175.478 176.600 0.270 0.000 1.002 433 K CA -0.181 56.304 56.287 0.331 0.000 0.868 433 K CB 1.083 33.680 32.500 0.161 0.000 1.093 433 K HN 0.270 nan 8.250 nan 0.000 0.454 434 F N 1.559 121.623 119.950 0.189 0.000 2.556 434 F HA 0.516 5.043 4.527 -0.000 0.000 0.314 434 F C -0.547 175.335 175.800 0.136 0.000 1.106 434 F CA -0.968 57.141 58.000 0.182 0.000 0.911 434 F CB 1.749 40.849 39.000 0.167 0.000 1.190 434 F HN 0.028 nan 8.300 nan 0.000 0.448 435 V N 2.410 122.472 119.914 0.246 0.000 2.588 435 V HA 0.844 4.964 4.120 -0.000 0.000 0.304 435 V C -0.591 175.610 176.094 0.179 0.000 1.042 435 V CA -0.972 61.432 62.300 0.173 0.000 0.877 435 V CB 1.702 33.574 31.823 0.081 0.000 0.996 435 V HN 0.893 nan 8.190 nan 0.000 0.425 436 A N 4.618 127.541 122.820 0.172 0.000 2.330 436 A HA 0.884 5.204 4.320 -0.000 0.000 0.327 436 A C -0.477 177.145 177.584 0.064 0.000 1.155 436 A CA -0.667 51.464 52.037 0.156 0.000 0.803 436 A CB 1.079 20.214 19.000 0.225 0.000 1.208 436 A HN 0.804 nan 8.150 nan 0.000 0.477 437 K N 0.336 120.771 120.400 0.059 0.000 2.426 437 K HA 0.785 5.105 4.320 -0.000 0.000 0.251 437 K C -1.035 175.592 176.600 0.046 0.000 0.941 437 K CA -0.541 55.761 56.287 0.025 0.000 0.808 437 K CB 2.660 35.165 32.500 0.008 0.000 1.265 437 K HN 0.959 nan 8.250 nan 0.000 0.432 438 A N 2.186 125.035 122.820 0.048 0.000 2.517 438 A HA 0.597 4.917 4.320 -0.000 0.000 0.297 438 A C -1.570 176.072 177.584 0.097 0.000 1.050 438 A CA -0.662 51.446 52.037 0.119 0.000 0.694 438 A CB 1.558 20.706 19.000 0.248 0.000 1.277 438 A HN 0.717 nan 8.150 nan 0.000 0.400 439 R N 2.139 122.629 120.500 -0.018 0.000 2.502 439 R HA 0.671 5.011 4.340 -0.000 0.000 0.298 439 R C -2.202 174.027 176.300 -0.119 0.000 1.018 439 R CA -0.294 55.804 56.100 -0.005 0.000 0.899 439 R CB 0.830 31.073 30.300 -0.096 0.000 1.181 439 R HN 0.581 nan 8.270 nan 0.000 0.444 440 F N 3.515 123.584 119.950 0.199 0.000 2.556 440 F HA 0.336 4.863 4.527 -0.000 0.000 0.314 440 F C -0.240 175.597 175.800 0.062 0.000 1.106 440 F CA -1.065 57.029 58.000 0.156 0.000 0.911 440 F CB 1.724 40.755 39.000 0.052 0.000 1.190 440 F HN 0.323 nan 8.300 nan 0.000 0.448 441 L N 3.272 124.485 121.223 -0.016 0.000 2.584 441 L HA 0.253 4.593 4.340 -0.000 0.000 0.272 441 L C 0.578 177.320 176.870 -0.213 0.000 1.195 441 L CA 0.653 55.163 54.840 -0.550 0.000 0.920 441 L CB 0.267 41.988 42.059 -0.562 0.000 1.173 441 L HN 0.813 nan 8.230 nan 0.000 0.489 442 A N 4.659 127.342 122.820 -0.229 0.000 2.013 442 A HA 0.251 4.571 4.320 -0.000 0.000 0.204 442 A C 0.336 177.847 177.584 -0.121 0.000 1.262 442 A CA 0.090 52.064 52.037 -0.105 0.000 0.800 442 A CB 0.101 19.076 19.000 -0.041 0.000 0.909 442 A HN 0.701 nan 8.150 nan 0.000 0.472 443 E N -0.155 119.943 120.200 -0.170 0.000 2.220 443 E HA 0.545 4.895 4.350 -0.000 0.000 0.256 443 E C 0.317 176.791 176.600 -0.209 0.000 0.881 443 E CA -0.028 56.288 56.400 -0.140 0.000 0.766 443 E CB 1.775 31.425 29.700 -0.082 0.000 1.187 443 E HN 0.198 nan 8.360 nan 0.000 0.419 444 A N 3.851 126.552 122.820 -0.198 0.000 1.908 444 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 444 A C 1.478 178.891 177.584 -0.286 0.000 1.181 444 A CA 1.798 53.675 52.037 -0.267 0.000 0.627 444 A CB -1.009 17.871 19.000 -0.200 0.000 0.818 444 A HN 0.996 nan 8.150 nan 0.000 0.445 445 G N -0.783 107.930 108.800 -0.145 0.000 2.611 445 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.301 445 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.301 445 G C 0.989 175.873 174.900 -0.027 0.000 1.233 445 G CA 1.210 46.279 45.100 -0.050 0.000 0.993 445 G HN 1.317 nan 8.290 nan 0.000 0.553 446 W N 1.125 122.426 121.300 0.002 0.000 2.387 446 W HA -0.000 4.660 4.660 -0.000 0.000 0.272 446 W C 2.008 178.530 176.519 0.005 0.000 1.224 446 W CA 1.188 58.536 57.345 0.005 0.000 1.210 446 W CB -0.662 28.795 29.460 -0.005 0.000 1.125 446 W HN 0.481 nan 8.180 nan 0.000 0.572 447 R N 0.675 120.732 120.500 -0.739 0.000 2.280 447 R HA -0.041 4.299 4.340 -0.000 0.000 0.207 447 R C 2.226 178.362 176.300 -0.274 0.000 1.043 447 R CA 1.543 57.213 56.100 -0.716 0.000 1.006 447 R CB -0.353 29.430 30.300 -0.861 0.000 0.885 447 R HN 0.101 nan 8.270 nan 0.000 0.467 448 T N 1.359 115.817 114.554 -0.161 0.000 2.803 448 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 448 T C 1.567 176.261 174.700 -0.010 0.000 1.052 448 T CA 0.929 62.988 62.100 -0.067 0.000 1.136 448 T CB -0.016 68.837 68.868 -0.025 0.000 0.864 448 T HN 0.227 nan 8.240 nan 0.000 0.467 449 L N 0.345 121.591 121.223 0.038 0.000 2.610 449 L HA 0.215 4.555 4.340 -0.000 0.000 0.232 449 L C 0.840 177.760 176.870 0.083 0.000 1.149 449 L CA 0.169 55.061 54.840 0.087 0.000 0.872 449 L CB -0.591 41.554 42.059 0.143 0.000 0.992 449 L HN 0.246 nan 8.230 nan 0.000 0.447 450 L N -0.832 120.416 121.223 0.042 0.000 2.469 450 L HA 0.413 4.753 4.340 -0.000 0.000 0.253 450 L C 1.051 177.940 176.870 0.031 0.000 1.143 450 L CA -0.512 54.355 54.840 0.045 0.000 0.804 450 L CB 0.481 42.541 42.059 0.002 0.000 1.214 450 L HN -0.050 nan 8.230 nan 0.000 0.476 451 G N -0.782 108.038 108.800 0.033 0.000 2.572 451 G HA2 0.200 4.160 3.960 -0.000 0.000 0.261 451 G HA3 0.200 4.160 3.960 -0.000 0.000 0.261 451 G C 0.938 175.843 174.900 0.009 0.000 1.197 451 G CA 0.214 45.329 45.100 0.026 0.000 0.870 451 G HN 0.767 nan 8.290 nan 0.000 0.548 452 S N 0.248 115.953 115.700 0.010 0.000 2.359 452 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 452 S C 2.064 176.667 174.600 0.004 0.000 1.035 452 S CA 1.834 60.035 58.200 0.003 0.000 1.018 452 S CB -0.389 62.816 63.200 0.009 0.000 0.876 452 S HN 0.643 nan 8.310 nan 0.000 0.448 453 K N 0.856 121.263 120.400 0.011 0.000 2.032 453 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 453 K C 2.383 178.989 176.600 0.010 0.000 1.048 453 K CA 1.845 58.140 56.287 0.013 0.000 0.927 453 K CB -0.280 32.229 32.500 0.014 0.000 0.712 453 K HN 0.604 nan 8.250 nan 0.000 0.441 454 E N 0.029 120.234 120.200 0.008 0.000 2.107 454 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 454 E C 2.080 178.675 176.600 -0.008 0.000 0.982 454 E CA 0.686 57.094 56.400 0.013 0.000 0.809 454 E CB 0.054 29.769 29.700 0.026 0.000 0.756 454 E HN 0.238 nan 8.360 nan 0.000 0.459 455 R N 0.697 121.175 120.500 -0.037 0.000 2.117 455 R HA -0.187 4.153 4.340 -0.000 0.000 0.243 455 R C 0.858 177.117 176.300 -0.068 0.000 1.143 455 R CA 2.093 58.136 56.100 -0.096 0.000 0.968 455 R CB 0.013 30.256 30.300 -0.095 0.000 0.863 455 R HN 0.068 nan 8.270 nan 0.000 0.444 456 D N -0.011 120.379 120.400 -0.017 0.000 2.367 456 D HA -0.085 4.555 4.640 -0.000 0.000 0.207 456 D C 1.323 177.640 176.300 0.029 0.000 1.034 456 D CA 0.717 54.725 54.000 0.015 0.000 0.861 456 D CB 0.087 40.906 40.800 0.033 0.000 0.943 456 D HN 0.588 nan 8.370 nan 0.000 0.515 457 E N 1.179 121.395 120.200 0.026 0.000 2.401 457 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 457 E C 0.722 177.326 176.600 0.006 0.000 1.023 457 E CA 0.872 57.282 56.400 0.017 0.000 0.859 457 E CB -0.008 29.704 29.700 0.021 0.000 0.780 457 E HN 0.137 nan 8.360 nan 0.000 0.523 458 E N 0.836 121.062 120.200 0.043 0.000 2.479 458 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 458 E C -0.203 176.364 176.600 -0.055 0.000 1.049 458 E CA -0.103 56.290 56.400 -0.012 0.000 0.870 458 E CB -0.009 29.684 29.700 -0.011 0.000 0.944 458 E HN 0.234 nan 8.360 nan 0.000 0.492 459 N N 2.337 121.006 118.700 -0.052 0.000 2.483 459 N HA 0.016 4.756 4.740 -0.000 0.000 0.264 459 N C -0.378 174.897 175.510 -0.391 0.000 1.197 459 N CA 0.585 53.442 53.050 -0.322 0.000 0.927 459 N CB 0.752 38.994 38.487 -0.407 0.000 1.065 459 N HN -0.004 nan 8.380 nan 0.000 0.461 460 D N 0.433 120.529 120.400 -0.507 0.000 2.498 460 D HA 0.501 5.141 4.640 -0.000 0.000 0.247 460 D C 0.712 176.865 176.300 -0.245 0.000 1.070 460 D CA -0.006 53.820 54.000 -0.290 0.000 0.842 460 D CB 1.846 42.535 40.800 -0.185 0.000 1.361 460 D HN 0.601 nan 8.370 nan 0.000 0.484 461 G N 2.423 111.179 108.800 -0.072 0.000 2.598 461 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 461 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 461 G C -0.476 174.560 174.900 0.228 0.000 1.302 461 G CA -0.118 45.022 45.100 0.067 0.000 0.903 461 G HN 0.560 nan 8.290 nan 0.000 0.575 462 T N 2.944 117.672 114.554 0.289 0.000 2.841 462 T HA 0.634 4.984 4.350 -0.000 0.000 0.283 462 T C -2.581 172.285 174.700 0.277 0.000 1.000 462 T CA -0.565 61.723 62.100 0.314 0.000 0.977 462 T CB 2.079 71.061 68.868 0.190 0.000 0.979 462 T HN 0.547 nan 8.240 nan 0.000 0.446 463 P HA 0.136 nan 4.420 nan 0.000 0.261 463 P C -0.706 176.594 177.300 0.001 0.000 1.183 463 P CA 0.014 63.065 63.100 -0.081 0.000 0.761 463 P CB 0.300 31.794 31.700 -0.343 0.000 0.785 464 L N 5.736 126.963 121.223 0.006 0.000 2.343 464 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 464 L C -1.495 175.342 176.870 -0.055 0.000 1.056 464 L CA -2.126 52.675 54.840 -0.065 0.000 0.804 464 L CB 0.693 42.673 42.059 -0.130 0.000 1.203 464 L HN 0.289 nan 8.230 nan 0.000 0.440 465 P HA 0.125 nan 4.420 nan 0.000 0.273 465 P C -0.775 176.495 177.300 -0.049 0.000 1.250 465 P CA -0.391 62.679 63.100 -0.050 0.000 0.793 465 P CB 0.874 32.564 31.700 -0.017 0.000 1.011 466 V N 1.563 121.422 119.914 -0.092 0.000 2.461 466 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 466 V C 0.838 176.712 176.094 -0.367 0.000 1.047 466 V CA -0.152 61.977 62.300 -0.284 0.000 0.955 466 V CB 0.860 32.541 31.823 -0.237 0.000 0.988 466 V HN 0.502 nan 8.190 nan 0.000 0.471 467 V N 2.216 121.747 119.914 -0.638 0.000 3.156 467 V HA 1.087 5.207 4.120 -0.000 0.000 0.311 467 V C -0.229 175.608 176.094 -0.428 0.000 1.208 467 V CA -0.838 61.246 62.300 -0.360 0.000 1.063 467 V CB 1.910 33.673 31.823 -0.101 0.000 1.098 467 V HN 1.023 nan 8.190 nan 0.000 0.452 468 A N 0.449 123.173 122.820 -0.161 0.000 2.423 468 A HA 0.739 5.059 4.320 -0.000 0.000 0.304 468 A C -0.346 177.248 177.584 0.016 0.000 1.104 468 A CA -0.948 51.045 52.037 -0.073 0.000 0.757 468 A CB 1.533 20.494 19.000 -0.066 0.000 1.313 468 A HN 1.043 nan 8.150 nan 0.000 0.423 469 K N 0.266 120.696 120.400 0.050 0.000 2.472 469 K HA 0.352 4.672 4.320 -0.000 0.000 0.280 469 K C 1.192 177.814 176.600 0.037 0.000 1.028 469 K CA 1.613 57.935 56.287 0.058 0.000 1.045 469 K CB -0.061 32.476 32.500 0.060 0.000 0.902 469 K HN 1.666 nan 8.250 nan 0.000 0.478 470 G N 3.596 112.420 108.800 0.040 0.000 2.475 470 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.209 470 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.209 470 G C -0.511 174.405 174.900 0.027 0.000 1.127 470 G CA -0.062 45.055 45.100 0.029 0.000 0.681 470 G HN 0.737 nan 8.290 nan 0.000 0.517 471 D N 2.282 122.696 120.400 0.023 0.000 2.819 471 D HA 0.281 4.921 4.640 -0.000 0.000 0.236 471 D C 0.721 177.039 176.300 0.031 0.000 1.181 471 D CA 0.890 54.903 54.000 0.021 0.000 0.855 471 D CB 0.475 41.286 40.800 0.018 0.000 1.146 471 D HN 0.682 nan 8.370 nan 0.000 0.540 472 E N 3.288 123.499 120.200 0.020 0.000 2.166 472 E HA 0.220 4.570 4.350 -0.000 0.000 0.279 472 E C -0.461 176.149 176.600 0.017 0.000 1.095 472 E CA -0.345 56.064 56.400 0.015 0.000 0.888 472 E CB 0.320 30.023 29.700 0.005 0.000 1.041 472 E HN 0.376 nan 8.360 nan 0.000 0.414 473 L N 3.541 124.777 121.223 0.022 0.000 2.341 473 L HA 0.584 4.924 4.340 -0.000 0.000 0.267 473 L C -0.609 176.247 176.870 -0.023 0.000 1.022 473 L CA -1.430 53.420 54.840 0.018 0.000 0.844 473 L CB 0.743 42.840 42.059 0.064 0.000 1.436 473 L HN 0.509 nan 8.230 nan 0.000 0.483 474 L N 0.126 121.321 121.223 -0.048 0.000 2.362 474 L HA 0.440 4.780 4.340 -0.000 0.000 0.275 474 L C -0.839 175.959 176.870 -0.120 0.000 0.998 474 L CA -0.171 54.624 54.840 -0.075 0.000 0.820 474 L CB 1.655 43.679 42.059 -0.057 0.000 1.270 474 L HN 0.635 nan 8.230 nan 0.000 0.415 475 C N 4.995 124.215 119.300 -0.133 0.000 2.192 475 C HA 0.291 4.751 4.460 -0.000 0.000 0.337 475 C C 1.452 176.379 174.990 -0.106 0.000 1.103 475 C CA -0.341 58.585 59.018 -0.154 0.000 1.581 475 C CB -1.155 26.460 27.740 -0.208 0.000 2.070 475 C HN 1.064 nan 8.230 nan 0.000 0.485 476 E N 2.774 122.925 120.200 -0.082 0.000 2.021 476 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 476 E C 0.395 176.957 176.600 -0.062 0.000 1.015 476 E CA 1.406 57.766 56.400 -0.066 0.000 0.824 476 E CB 0.152 29.813 29.700 -0.064 0.000 0.762 476 E HN 0.850 nan 8.360 nan 0.000 0.454 477 K N -0.934 119.445 120.400 -0.036 0.000 2.546 477 K HA 0.553 4.873 4.320 -0.000 0.000 0.264 477 K C -0.493 176.150 176.600 0.071 0.000 0.937 477 K CA -0.775 55.497 56.287 -0.025 0.000 0.833 477 K CB 1.808 34.261 32.500 -0.078 0.000 1.378 477 K HN 0.057 nan 8.250 nan 0.000 0.432 478 G N 0.477 109.300 108.800 0.039 0.000 2.504 478 G HA2 0.409 4.369 3.960 -0.000 0.000 0.288 478 G HA3 0.409 4.369 3.960 -0.000 0.000 0.288 478 G C -1.195 173.782 174.900 0.129 0.000 1.182 478 G CA -0.363 44.787 45.100 0.083 0.000 0.894 478 G HN 0.650 nan 8.290 nan 0.000 0.521 479 E N -0.118 120.174 120.200 0.153 0.000 2.311 479 E HA 0.319 4.669 4.350 -0.000 0.000 0.281 479 E C -1.335 175.336 176.600 0.118 0.000 0.905 479 E CA -0.586 55.902 56.400 0.147 0.000 0.778 479 E CB 2.361 32.222 29.700 0.268 0.000 1.240 479 E HN 0.243 nan 8.360 nan 0.000 0.410 480 V N 4.378 124.342 119.914 0.083 0.000 2.408 480 V HA 0.151 4.271 4.120 -0.000 0.000 0.267 480 V C 0.195 176.354 176.094 0.108 0.000 1.047 480 V CA -0.555 61.797 62.300 0.086 0.000 0.937 480 V CB 0.962 32.798 31.823 0.021 0.000 0.999 480 V HN 0.425 nan 8.190 nan 0.000 0.472 481 V N 4.589 124.578 119.914 0.125 0.000 2.488 481 V HA 0.241 4.361 4.120 -0.000 0.000 0.277 481 V C 0.442 176.596 176.094 0.099 0.000 1.046 481 V CA -0.355 61.995 62.300 0.084 0.000 0.986 481 V CB 1.045 32.896 31.823 0.047 0.000 0.989 481 V HN 0.933 nan 8.190 nan 0.000 0.475 482 E N 5.360 125.594 120.200 0.057 0.000 2.028 482 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 482 E C -0.273 176.212 176.600 -0.192 0.000 0.962 482 E CA -0.573 55.849 56.400 0.037 0.000 0.784 482 E CB 0.421 30.188 29.700 0.112 0.000 1.114 482 E HN 0.567 nan 8.360 nan 0.000 0.414 483 R N 2.220 122.422 120.500 -0.497 0.000 2.797 483 R HA 0.475 4.815 4.340 -0.000 0.000 0.251 483 R C -0.290 175.693 176.300 -0.528 0.000 1.107 483 R CA -0.705 55.014 56.100 -0.635 0.000 1.084 483 R CB 1.412 31.003 30.300 -1.181 0.000 1.205 483 R HN 0.547 nan 8.270 nan 0.000 0.515 484 Q N 0.321 119.993 119.800 -0.214 0.000 2.345 484 Q HA 0.243 4.583 4.340 -0.000 0.000 0.275 484 Q C -0.810 175.364 176.000 0.291 0.000 1.063 484 Q CA -0.546 55.291 55.803 0.056 0.000 0.819 484 Q CB 2.949 31.702 28.738 0.025 0.000 1.356 484 Q HN 0.751 nan 8.270 nan 0.000 0.418 485 T N -0.280 114.484 114.554 0.349 0.000 2.860 485 T HA 0.318 4.668 4.350 -0.000 0.000 0.299 485 T C -0.104 174.803 174.700 0.345 0.000 1.045 485 T CA -0.667 61.632 62.100 0.332 0.000 1.071 485 T CB 0.970 70.013 68.868 0.291 0.000 0.985 485 T HN 0.335 nan 8.240 nan 0.000 0.537 486 Q N 1.318 121.224 119.800 0.177 0.000 2.365 486 Q HA 0.442 4.782 4.340 -0.000 0.000 0.269 486 Q C -2.607 172.944 176.000 -0.748 0.000 1.061 486 Q CA -2.254 53.484 55.803 -0.108 0.000 0.816 486 Q CB 1.973 30.652 28.738 -0.099 0.000 1.325 486 Q HN 0.574 nan 8.270 nan 0.000 0.446 487 P HA 0.254 nan 4.420 nan 0.000 0.274 487 P C -2.448 174.468 177.300 -0.641 0.000 1.237 487 P CA -1.147 61.221 63.100 -1.219 0.000 0.793 487 P CB -0.302 30.962 31.700 -0.726 0.000 0.977 488 P HA 0.306 nan 4.420 nan 0.000 0.274 488 P C -0.036 177.019 177.300 -0.409 0.000 1.246 488 P CA -0.360 62.508 63.100 -0.386 0.000 0.795 488 P CB 0.605 32.103 31.700 -0.336 0.000 1.006 489 R N 0.748 121.045 120.500 -0.337 0.000 2.539 489 R HA 0.166 4.506 4.340 -0.000 0.000 0.275 489 R C 0.760 176.814 176.300 -0.411 0.000 1.077 489 R CA -0.384 55.503 56.100 -0.354 0.000 1.097 489 R CB 0.086 30.282 30.300 -0.173 0.000 1.018 489 R HN 0.587 nan 8.270 nan 0.000 0.483 490 H N 1.826 120.669 119.070 -0.379 0.000 2.983 490 H HA -0.087 4.469 4.556 -0.000 0.000 0.361 490 H C 0.302 175.602 175.328 -0.047 0.000 1.145 490 H CA 0.809 56.696 56.048 -0.269 0.000 1.404 490 H CB 0.294 29.881 29.762 -0.292 0.000 1.356 490 H HN 0.295 nan 8.280 nan 0.000 0.612 491 F N 0.395 120.463 119.950 0.196 0.000 2.490 491 F HA 0.034 4.561 4.527 -0.000 0.000 0.336 491 F C 1.456 177.416 175.800 0.268 0.000 1.178 491 F CA 0.317 58.426 58.000 0.182 0.000 1.301 491 F CB 0.583 39.633 39.000 0.083 0.000 1.175 491 F HN 0.454 nan 8.300 nan 0.000 0.593 492 T N -2.343 112.456 114.554 0.407 0.000 2.910 492 T HA 0.290 4.640 4.350 -0.000 0.000 0.287 492 T C 0.628 175.434 174.700 0.176 0.000 1.050 492 T CA -0.842 61.379 62.100 0.201 0.000 1.011 492 T CB 1.414 70.302 68.868 0.033 0.000 1.195 492 T HN 0.406 nan 8.240 nan 0.000 0.540 493 D N 0.704 121.165 120.400 0.101 0.000 2.133 493 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 493 D C 2.241 178.581 176.300 0.068 0.000 1.001 493 D CA 2.090 56.137 54.000 0.078 0.000 0.844 493 D CB -0.688 40.134 40.800 0.036 0.000 0.944 493 D HN 0.739 nan 8.370 nan 0.000 0.447 494 A N 0.354 123.212 122.820 0.064 0.000 1.872 494 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 494 A C 2.370 180.016 177.584 0.103 0.000 1.187 494 A CA 2.547 54.619 52.037 0.058 0.000 0.614 494 A CB -0.961 18.061 19.000 0.038 0.000 0.826 494 A HN 0.395 nan 8.150 nan 0.000 0.442 495 T N -1.919 112.738 114.554 0.172 0.000 2.867 495 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 495 T C 1.750 176.646 174.700 0.327 0.000 1.057 495 T CA 1.428 63.695 62.100 0.279 0.000 1.136 495 T CB -0.423 68.646 68.868 0.334 0.000 0.874 495 T HN 0.151 nan 8.240 nan 0.000 0.466 496 L N 0.535 121.881 121.223 0.205 0.000 2.056 496 L HA 0.272 4.612 4.340 -0.000 0.000 0.207 496 L C 2.377 179.172 176.870 -0.124 0.000 1.078 496 L CA 1.342 56.074 54.840 -0.180 0.000 0.749 496 L CB -0.864 41.071 42.059 -0.208 0.000 0.901 496 L HN 0.314 nan 8.230 nan 0.000 0.433 497 L N -1.753 119.460 121.223 -0.017 0.000 2.093 497 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 497 L C 2.590 179.470 176.870 0.016 0.000 1.085 497 L CA 1.337 56.170 54.840 -0.011 0.000 0.755 497 L CB -0.242 41.819 42.059 0.004 0.000 0.904 497 L HN 0.313 nan 8.230 nan 0.000 0.435 498 S N -0.766 114.972 115.700 0.064 0.000 2.356 498 S HA -0.198 4.272 4.470 -0.000 0.000 0.223 498 S C 2.072 176.756 174.600 0.140 0.000 1.032 498 S CA 1.278 59.539 58.200 0.103 0.000 1.005 498 S CB -0.170 63.113 63.200 0.137 0.000 0.867 498 S HN 0.579 nan 8.310 nan 0.000 0.449 499 A N 1.141 124.049 122.820 0.146 0.000 1.933 499 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 499 A C 2.183 179.765 177.584 -0.004 0.000 1.175 499 A CA 1.556 53.674 52.037 0.136 0.000 0.628 499 A CB -0.581 18.302 19.000 -0.196 0.000 0.814 499 A HN 0.591 nan 8.150 nan 0.000 0.444 500 M N -0.797 118.762 119.600 -0.069 0.000 2.117 500 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 500 M C 2.214 178.522 176.300 0.013 0.000 1.065 500 M CA 2.036 57.302 55.300 -0.056 0.000 1.114 500 M CB -0.669 31.891 32.600 -0.066 0.000 1.361 500 M HN 0.474 nan 8.290 nan 0.000 0.408 501 T N -0.329 114.248 114.554 0.038 0.000 2.732 501 T HA -0.024 4.326 4.350 -0.000 0.000 0.261 501 T C 1.366 176.112 174.700 0.076 0.000 1.040 501 T CA 1.349 63.479 62.100 0.050 0.000 1.145 501 T CB -0.608 68.287 68.868 0.046 0.000 0.866 501 T HN 0.543 nan 8.240 nan 0.000 0.427 502 G N 1.047 109.914 108.800 0.111 0.000 3.458 502 G HA2 0.327 4.287 3.960 -0.000 0.000 0.256 502 G HA3 0.327 4.287 3.960 -0.000 0.000 0.256 502 G C 0.804 175.825 174.900 0.202 0.000 0.938 502 G CA -0.358 44.819 45.100 0.129 0.000 1.890 502 G HN 0.273 nan 8.290 nan 0.000 0.639 503 I N 1.658 122.325 120.570 0.161 0.000 2.493 503 I HA -0.054 4.116 4.170 -0.000 0.000 0.254 503 I C 2.659 178.900 176.117 0.207 0.000 1.160 503 I CA 1.083 62.501 61.300 0.197 0.000 1.445 503 I CB 0.068 38.123 38.000 0.091 0.000 1.086 503 I HN 0.327 nan 8.210 nan 0.000 0.433 504 A N 0.432 123.323 122.820 0.119 0.000 2.032 504 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 504 A C 2.368 179.972 177.584 0.033 0.000 1.165 504 A CA 1.687 53.764 52.037 0.066 0.000 0.645 504 A CB -0.710 18.310 19.000 0.034 0.000 0.807 504 A HN 0.493 nan 8.150 nan 0.000 0.453 505 R N -2.020 118.483 120.500 0.004 0.000 2.237 505 R HA -0.028 4.312 4.340 -0.000 0.000 0.219 505 R C 0.476 176.527 176.300 -0.414 0.000 1.080 505 R CA 1.149 57.106 56.100 -0.238 0.000 0.995 505 R CB -0.225 29.843 30.300 -0.387 0.000 0.875 505 R HN 0.616 nan 8.270 nan 0.000 0.462 506 F N -0.514 119.447 119.950 0.017 0.000 2.682 506 F HA 0.177 4.704 4.527 -0.000 0.000 0.308 506 F C 0.443 176.247 175.800 0.007 0.000 1.093 506 F CA -0.477 57.535 58.000 0.020 0.000 1.244 506 F CB 0.593 39.615 39.000 0.037 0.000 1.052 506 F HN -0.310 nan 8.300 nan 0.000 0.573 507 V N 0.776 120.761 119.914 0.118 0.000 2.732 507 V HA 0.072 4.192 4.120 -0.000 0.000 0.297 507 V C 0.881 176.990 176.094 0.026 0.000 1.060 507 V CA -0.278 62.060 62.300 0.063 0.000 1.038 507 V CB 1.401 33.248 31.823 0.040 0.000 1.003 507 V HN 0.068 nan 8.190 nan 0.000 0.481 508 Q N 1.181 120.989 119.800 0.014 0.000 2.036 508 Q HA 0.006 4.346 4.340 -0.000 0.000 0.195 508 Q C 0.938 176.931 176.000 -0.012 0.000 0.971 508 Q CA 0.869 56.671 55.803 -0.001 0.000 0.826 508 Q CB -0.309 28.426 28.738 -0.006 0.000 0.896 508 Q HN 0.839 nan 8.270 nan 0.000 0.449 509 D N 1.030 121.420 120.400 -0.016 0.000 2.502 509 D HA -0.091 4.549 4.640 -0.000 0.000 0.249 509 D C 0.553 176.846 176.300 -0.011 0.000 1.188 509 D CA 0.274 54.264 54.000 -0.017 0.000 0.890 509 D CB 0.616 41.403 40.800 -0.021 0.000 1.140 509 D HN 0.298 nan 8.370 nan 0.000 0.505 510 K N 3.046 123.438 120.400 -0.014 0.000 2.116 510 K HA -0.074 4.246 4.320 -0.000 0.000 0.203 510 K C 0.896 177.491 176.600 -0.009 0.000 1.052 510 K CA 0.648 56.927 56.287 -0.014 0.000 0.952 510 K CB 0.160 32.649 32.500 -0.018 0.000 0.729 510 K HN 0.307 nan 8.250 nan 0.000 0.446 511 D N 1.524 121.920 120.400 -0.006 0.000 2.178 511 D HA -0.134 4.506 4.640 -0.000 0.000 0.202 511 D C 2.057 178.362 176.300 0.009 0.000 0.974 511 D CA 0.913 54.912 54.000 -0.001 0.000 0.841 511 D CB -0.045 40.754 40.800 -0.001 0.000 0.953 511 D HN 0.163 nan 8.370 nan 0.000 0.478 512 L N 1.478 122.710 121.223 0.015 0.000 2.044 512 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 512 L C 2.308 179.191 176.870 0.021 0.000 1.075 512 L CA 1.556 56.415 54.840 0.032 0.000 0.747 512 L CB -0.405 41.682 42.059 0.046 0.000 0.903 512 L HN -0.222 nan 8.230 nan 0.000 0.435 513 K N -0.477 119.931 120.400 0.012 0.000 2.148 513 K HA -0.293 4.027 4.320 -0.000 0.000 0.213 513 K C 1.927 178.529 176.600 0.004 0.000 1.050 513 K CA 2.101 58.392 56.287 0.007 0.000 0.932 513 K CB 0.000 32.498 32.500 -0.004 0.000 0.717 513 K HN 0.240 nan 8.250 nan 0.000 0.462 514 K N 0.488 120.889 120.400 0.002 0.000 2.076 514 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 514 K C 2.151 178.751 176.600 0.001 0.000 1.051 514 K CA 1.475 57.761 56.287 -0.001 0.000 0.949 514 K CB -0.417 32.080 32.500 -0.005 0.000 0.726 514 K HN 0.536 nan 8.250 nan 0.000 0.443 515 I N -0.866 119.708 120.570 0.006 0.000 2.756 515 I HA -0.048 4.122 4.170 -0.000 0.000 0.262 515 I C 0.360 176.478 176.117 0.001 0.000 1.225 515 I CA 0.320 61.622 61.300 0.004 0.000 1.472 515 I CB -0.295 37.712 38.000 0.012 0.000 1.094 515 I HN -0.156 nan 8.210 nan 0.000 0.454 516 L N 2.434 123.660 121.223 0.005 0.000 2.410 516 L HA 0.266 4.606 4.340 -0.000 0.000 0.273 516 L C 0.799 177.671 176.870 0.004 0.000 1.152 516 L CA 0.252 55.096 54.840 0.005 0.000 0.855 516 L CB 0.428 42.495 42.059 0.014 0.000 1.129 516 L HN 0.261 nan 8.230 nan 0.000 0.463 517 R N 1.581 122.083 120.500 0.002 0.000 2.549 517 R HA 0.462 4.802 4.340 -0.000 0.000 0.259 517 R C 0.957 177.268 176.300 0.018 0.000 1.095 517 R CA 0.097 56.199 56.100 0.003 0.000 1.148 517 R CB 1.239 31.533 30.300 -0.009 0.000 1.181 517 R HN 0.758 nan 8.270 nan 0.000 0.571 518 A N 0.134 122.970 122.820 0.026 0.000 1.969 518 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 518 A C 1.928 179.543 177.584 0.052 0.000 1.169 518 A CA 2.015 54.078 52.037 0.045 0.000 0.635 518 A CB -0.869 18.170 19.000 0.065 0.000 0.810 518 A HN 0.927 nan 8.150 nan 0.000 0.445 519 T N -1.617 112.966 114.554 0.049 0.000 2.788 519 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 519 T C 0.388 175.117 174.700 0.048 0.000 1.044 519 T CA 0.903 63.035 62.100 0.055 0.000 1.139 519 T CB -0.618 68.276 68.868 0.044 0.000 0.867 519 T HN 0.347 nan 8.240 nan 0.000 0.454 520 D N 2.595 123.015 120.400 0.034 0.000 2.412 520 D HA 0.480 5.120 4.640 -0.000 0.000 0.257 520 D C 0.439 176.761 176.300 0.038 0.000 1.217 520 D CA 0.578 54.596 54.000 0.030 0.000 0.897 520 D CB 0.833 41.643 40.800 0.018 0.000 1.132 520 D HN 0.609 nan 8.370 nan 0.000 0.493 521 G N 0.880 109.704 108.800 0.039 0.000 2.725 521 G HA2 0.385 4.345 3.960 -0.000 0.000 0.288 521 G HA3 0.385 4.345 3.960 -0.000 0.000 0.288 521 G C -1.228 173.693 174.900 0.036 0.000 1.399 521 G CA -0.739 44.386 45.100 0.041 0.000 0.859 521 G HN 0.339 nan 8.290 nan 0.000 0.479 522 L N 1.978 123.218 121.223 0.030 0.000 2.433 522 L HA 0.553 4.893 4.340 -0.000 0.000 0.284 522 L C 0.954 177.838 176.870 0.023 0.000 1.120 522 L CA 1.211 56.065 54.840 0.023 0.000 0.879 522 L CB -0.483 41.577 42.059 0.002 0.000 1.232 522 L HN 1.776 nan 8.230 nan 0.000 0.454 523 G N 2.990 111.811 108.800 0.035 0.000 2.746 523 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.685 523 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.685 523 G C -0.232 174.686 174.900 0.029 0.000 1.350 523 G CA -0.505 44.616 45.100 0.035 0.000 0.837 523 G HN 0.702 nan 8.290 nan 0.000 0.564 524 T N 1.417 115.988 114.554 0.029 0.000 2.888 524 T HA 0.288 4.638 4.350 -0.000 0.000 0.301 524 T C 1.682 176.387 174.700 0.008 0.000 1.001 524 T CA 0.637 62.750 62.100 0.021 0.000 1.147 524 T CB 1.330 70.213 68.868 0.025 0.000 0.931 524 T HN 0.543 nan 8.240 nan 0.000 0.541 525 E N 2.258 122.458 120.200 0.000 0.000 2.085 525 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 525 E C 2.390 178.971 176.600 -0.032 0.000 0.994 525 E CA 1.211 57.603 56.400 -0.013 0.000 0.801 525 E CB -0.154 29.536 29.700 -0.017 0.000 0.743 525 E HN 0.793 nan 8.360 nan 0.000 0.453 526 A N 1.065 123.858 122.820 -0.045 0.000 2.070 526 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 526 A C 2.193 179.759 177.584 -0.029 0.000 1.159 526 A CA 1.928 53.929 52.037 -0.059 0.000 0.656 526 A CB -0.422 18.534 19.000 -0.073 0.000 0.800 526 A HN 0.356 nan 8.150 nan 0.000 0.453 527 T N -4.333 110.215 114.554 -0.010 0.000 3.040 527 T HA 0.203 4.553 4.350 -0.000 0.000 0.266 527 T C 1.447 176.151 174.700 0.007 0.000 1.005 527 T CA -0.052 62.050 62.100 0.003 0.000 0.906 527 T CB -0.059 68.819 68.868 0.016 0.000 1.082 527 T HN 0.477 nan 8.240 nan 0.000 0.531 528 R N 1.539 122.039 120.500 0.001 0.000 2.117 528 R HA -0.004 4.335 4.340 -0.000 0.000 0.243 528 R C 2.754 179.059 176.300 0.009 0.000 1.143 528 R CA 1.469 57.571 56.100 0.002 0.000 0.968 528 R CB -0.753 29.543 30.300 -0.007 0.000 0.863 528 R HN 0.506 nan 8.270 nan 0.000 0.444 529 A N 1.242 124.066 122.820 0.007 0.000 1.908 529 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 529 A C 2.475 180.078 177.584 0.032 0.000 1.181 529 A CA 1.893 53.940 52.037 0.017 0.000 0.627 529 A CB -1.244 17.758 19.000 0.004 0.000 0.818 529 A HN 0.481 nan 8.150 nan 0.000 0.445 530 G N 0.160 108.975 108.800 0.025 0.000 2.446 530 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 530 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 530 G C 1.410 176.336 174.900 0.044 0.000 1.168 530 G CA 1.207 46.326 45.100 0.032 0.000 0.771 530 G HN 0.377 nan 8.290 nan 0.000 0.551 531 I N 1.115 121.708 120.570 0.039 0.000 2.179 531 I HA -0.118 4.052 4.170 -0.000 0.000 0.242 531 I C 2.872 179.019 176.117 0.050 0.000 1.088 531 I CA 0.912 62.237 61.300 0.041 0.000 1.357 531 I CB -1.105 36.913 38.000 0.029 0.000 1.051 531 I HN 0.189 nan 8.210 nan 0.000 0.409 532 I N 0.561 121.166 120.570 0.057 0.000 2.163 532 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 532 I C 2.510 178.755 176.117 0.214 0.000 1.085 532 I CA 1.479 62.838 61.300 0.099 0.000 1.347 532 I CB -0.324 37.748 38.000 0.118 0.000 1.044 532 I HN 0.190 nan 8.210 nan 0.000 0.408 533 E N 0.922 121.233 120.200 0.185 0.000 2.204 533 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 533 E C 2.053 178.744 176.600 0.152 0.000 0.989 533 E CA 0.696 57.217 56.400 0.202 0.000 0.824 533 E CB -0.161 29.593 29.700 0.090 0.000 0.756 533 E HN 0.437 nan 8.360 nan 0.000 0.477 534 L N -0.260 121.017 121.223 0.089 0.000 2.046 534 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 534 L C 1.989 178.865 176.870 0.009 0.000 1.077 534 L CA 1.092 55.959 54.840 0.046 0.000 0.747 534 L CB -0.113 41.971 42.059 0.041 0.000 0.896 534 L HN 0.204 nan 8.230 nan 0.000 0.432 535 L N -1.191 120.041 121.223 0.015 0.000 2.083 535 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 535 L C 2.394 179.176 176.870 -0.146 0.000 1.083 535 L CA 1.311 56.120 54.840 -0.053 0.000 0.752 535 L CB -0.583 41.444 42.059 -0.052 0.000 0.899 535 L HN 0.185 nan 8.230 nan 0.000 0.433 536 F N 0.353 120.289 119.950 -0.024 0.000 2.075 536 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 536 F C 2.700 178.455 175.800 -0.076 0.000 1.113 536 F CA 1.690 59.672 58.000 -0.029 0.000 1.218 536 F CB -0.480 38.514 39.000 -0.011 0.000 0.984 536 F HN -0.048 nan 8.300 nan 0.000 0.472 537 K N 0.165 120.626 120.400 0.103 0.000 2.113 537 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 537 K C 2.140 178.678 176.600 -0.104 0.000 1.047 537 K CA 1.183 57.474 56.287 0.007 0.000 0.928 537 K CB -0.025 32.477 32.500 0.003 0.000 0.716 537 K HN 0.050 nan 8.250 nan 0.000 0.446 538 R N -0.651 119.694 120.500 -0.258 0.000 2.237 538 R HA -0.042 4.298 4.340 -0.000 0.000 0.219 538 R C 1.188 177.126 176.300 -0.604 0.000 1.080 538 R CA 1.016 56.772 56.100 -0.573 0.000 0.995 538 R CB -0.396 29.200 30.300 -1.174 0.000 0.875 538 R HN 0.578 nan 8.270 nan 0.000 0.462 539 G N 0.426 109.041 108.800 -0.309 0.000 2.149 539 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 539 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 539 G C 0.338 175.281 174.900 0.073 0.000 1.018 539 G CA 0.102 45.160 45.100 -0.071 0.000 0.728 539 G HN 0.267 nan 8.290 nan 0.000 0.508 540 F N -0.379 119.571 119.950 0.000 0.000 2.530 540 F HA 0.456 4.983 4.527 -0.000 0.000 0.292 540 F C 1.585 177.312 175.800 -0.122 0.000 1.109 540 F CA -0.254 57.722 58.000 -0.039 0.000 1.450 540 F CB -0.005 38.966 39.000 -0.048 0.000 1.114 540 F HN 0.159 nan 8.300 nan 0.000 0.560 541 L N -0.734 120.423 121.223 -0.110 0.000 2.342 541 L HA 0.633 4.973 4.340 -0.000 0.000 0.271 541 L C 0.072 176.820 176.870 -0.204 0.000 1.008 541 L CA -0.435 54.189 54.840 -0.360 0.000 0.818 541 L CB 2.138 43.593 42.059 -1.008 0.000 1.296 541 L HN -0.227 nan 8.230 nan 0.000 0.427 542 T N 0.641 115.227 114.554 0.052 0.000 2.865 542 T HA 0.438 4.788 4.350 -0.000 0.000 0.294 542 T C -1.196 173.764 174.700 0.432 0.000 1.119 542 T CA -0.650 61.655 62.100 0.341 0.000 1.007 542 T CB 1.959 70.935 68.868 0.181 0.000 1.225 542 T HN 0.492 nan 8.240 nan 0.000 0.515 543 K N 1.933 122.542 120.400 0.349 0.000 2.221 543 K HA 0.445 4.765 4.320 -0.000 0.000 0.258 543 K C -0.895 175.761 176.600 0.094 0.000 0.944 543 K CA -0.781 55.646 56.287 0.233 0.000 0.823 543 K CB 1.414 33.990 32.500 0.126 0.000 1.113 543 K HN 0.388 nan 8.250 nan 0.000 0.431 544 K N 2.718 123.170 120.400 0.086 0.000 2.507 544 K HA 0.240 4.559 4.320 -0.000 0.000 0.253 544 K C 0.247 176.911 176.600 0.106 0.000 0.969 544 K CA 0.074 56.372 56.287 0.018 0.000 0.908 544 K CB 0.942 33.356 32.500 -0.144 0.000 1.127 544 K HN 0.818 nan 8.250 nan 0.000 0.437 545 G N 4.900 113.736 108.800 0.059 0.000 2.622 545 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.307 545 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.307 545 G C 0.530 175.428 174.900 -0.003 0.000 1.226 545 G CA 0.601 45.726 45.100 0.042 0.000 0.997 545 G HN 0.830 nan 8.290 nan 0.000 0.551 546 R N -0.264 120.175 120.500 -0.102 0.000 2.299 546 R HA 0.285 4.625 4.340 -0.000 0.000 0.197 546 R C 0.252 176.356 176.300 -0.326 0.000 0.971 546 R CA 0.579 56.518 56.100 -0.267 0.000 1.030 546 R CB -0.015 30.040 30.300 -0.409 0.000 0.932 546 R HN 0.416 nan 8.270 nan 0.000 0.477 547 Y N 1.178 121.557 120.300 0.130 0.000 2.342 547 Y HA 0.410 4.960 4.550 -0.000 0.000 0.334 547 Y C 0.447 176.493 175.900 0.244 0.000 1.067 547 Y CA -1.423 56.788 58.100 0.185 0.000 1.128 547 Y CB 1.222 39.803 38.460 0.202 0.000 1.200 547 Y HN -0.136 nan 8.280 nan 0.000 0.464 548 I N 4.346 125.164 120.570 0.414 0.000 2.342 548 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 548 I C -0.195 176.052 176.117 0.218 0.000 1.010 548 I CA -0.249 61.256 61.300 0.342 0.000 1.308 548 I CB 0.468 38.642 38.000 0.290 0.000 1.400 548 I HN 0.562 nan 8.210 nan 0.000 0.488 549 H N 3.872 122.970 119.070 0.047 0.000 2.538 549 H HA 0.282 4.838 4.556 -0.000 0.000 0.353 549 H C -0.299 175.015 175.328 -0.024 0.000 1.109 549 H CA -0.675 55.352 56.048 -0.034 0.000 1.192 549 H CB 2.351 32.059 29.762 -0.090 0.000 1.555 549 H HN 0.603 nan 8.280 nan 0.000 0.518 550 S N 1.937 117.670 115.700 0.055 0.000 2.580 550 S HA 0.175 4.645 4.470 -0.000 0.000 0.274 550 S C 0.735 175.380 174.600 0.074 0.000 1.329 550 S CA -0.733 57.480 58.200 0.022 0.000 1.036 550 S CB 1.224 64.400 63.200 -0.040 0.000 0.919 550 S HN 0.691 nan 8.310 nan 0.000 0.515 551 T N -0.549 114.057 114.554 0.086 0.000 2.884 551 T HA 0.389 4.739 4.350 -0.000 0.000 0.277 551 T C 0.269 175.030 174.700 0.102 0.000 0.976 551 T CA -0.488 61.678 62.100 0.111 0.000 0.956 551 T CB 0.337 69.293 68.868 0.147 0.000 1.113 551 T HN 0.464 nan 8.240 nan 0.000 0.554 552 D N 0.437 120.902 120.400 0.109 0.000 2.149 552 D HA 0.011 4.651 4.640 -0.000 0.000 0.198 552 D C 2.278 178.643 176.300 0.109 0.000 0.990 552 D CA 1.709 55.770 54.000 0.101 0.000 0.839 552 D CB -0.528 40.332 40.800 0.100 0.000 0.948 552 D HN 0.698 nan 8.370 nan 0.000 0.460 553 A N 0.524 123.439 122.820 0.159 0.000 1.858 553 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 553 A C 2.402 179.978 177.584 -0.014 0.000 1.190 553 A CA 2.023 54.157 52.037 0.161 0.000 0.617 553 A CB -1.318 17.909 19.000 0.377 0.000 0.827 553 A HN 0.300 nan 8.150 nan 0.000 0.443 554 G N -0.167 108.652 108.800 0.033 0.000 2.529 554 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 554 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 554 G C 1.687 176.511 174.900 -0.128 0.000 1.177 554 G CA 1.330 46.338 45.100 -0.154 0.000 0.773 554 G HN 0.594 nan 8.290 nan 0.000 0.573 555 K N 0.553 120.933 120.400 -0.033 0.000 2.097 555 K HA 0.085 4.405 4.320 -0.000 0.000 0.206 555 K C 2.950 179.620 176.600 0.116 0.000 1.049 555 K CA 0.954 57.248 56.287 0.011 0.000 0.933 555 K CB -0.212 32.331 32.500 0.071 0.000 0.717 555 K HN 0.288 nan 8.250 nan 0.000 0.442 556 A N 1.316 124.176 122.820 0.067 0.000 1.930 556 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 556 A C 2.089 179.693 177.584 0.032 0.000 1.175 556 A CA 1.073 53.144 52.037 0.058 0.000 0.627 556 A CB -0.424 18.612 19.000 0.060 0.000 0.815 556 A HN 0.239 nan 8.150 nan 0.000 0.443 557 L N -1.513 119.692 121.223 -0.031 0.000 2.027 557 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 557 L C 2.168 178.988 176.870 -0.084 0.000 1.074 557 L CA 2.192 56.994 54.840 -0.064 0.000 0.745 557 L CB -0.868 40.962 42.059 -0.382 0.000 0.898 557 L HN 0.406 nan 8.230 nan 0.000 0.433 558 F N -0.037 119.756 119.950 -0.261 0.000 2.115 558 F HA -0.313 4.214 4.527 -0.000 0.000 0.300 558 F C 2.485 178.118 175.800 -0.278 0.000 1.092 558 F CA 2.216 60.036 58.000 -0.299 0.000 1.245 558 F CB -0.375 38.401 39.000 -0.373 0.000 0.995 558 F HN 0.297 nan 8.300 nan 0.000 0.481 559 H N -1.044 118.080 119.070 0.090 0.000 2.535 559 H HA 0.062 4.618 4.556 -0.000 0.000 0.273 559 H C 2.353 177.612 175.328 -0.115 0.000 0.983 559 H CA 1.170 57.218 56.048 -0.000 0.000 1.238 559 H CB -0.330 29.471 29.762 0.063 0.000 1.412 559 H HN 0.361 nan 8.280 nan 0.000 0.562 560 S N -0.076 115.612 115.700 -0.020 0.000 2.631 560 S HA 0.146 4.616 4.470 -0.000 0.000 0.217 560 S C 0.657 175.293 174.600 0.060 0.000 0.958 560 S CA -0.264 57.942 58.200 0.010 0.000 0.920 560 S CB -0.231 63.008 63.200 0.066 0.000 0.776 560 S HN 0.064 nan 8.310 nan 0.000 0.517 561 L N 1.603 122.743 121.223 -0.138 0.000 2.330 561 L HA 0.605 4.945 4.340 -0.000 0.000 0.271 561 L C -2.459 174.285 176.870 -0.209 0.000 1.013 561 L CA -2.784 51.923 54.840 -0.221 0.000 0.816 561 L CB 1.573 43.386 42.059 -0.410 0.000 1.287 561 L HN 0.006 nan 8.230 nan 0.000 0.435 562 P HA 0.125 nan 4.420 nan 0.000 0.274 562 P C 0.198 177.389 177.300 -0.182 0.000 1.231 562 P CA -0.437 62.594 63.100 -0.115 0.000 0.790 562 P CB 0.653 32.328 31.700 -0.043 0.000 0.951 563 E N 0.764 120.869 120.200 -0.158 0.000 2.108 563 E HA -0.262 4.088 4.350 -0.000 0.000 0.203 563 E C 1.676 178.193 176.600 -0.139 0.000 1.022 563 E CA 1.597 57.903 56.400 -0.157 0.000 0.823 563 E CB -0.344 29.301 29.700 -0.092 0.000 0.744 563 E HN 0.514 nan 8.360 nan 0.000 0.456 564 M N 0.041 119.577 119.600 -0.107 0.000 2.108 564 M HA -0.238 4.242 4.480 -0.000 0.000 0.257 564 M C 2.226 178.465 176.300 -0.102 0.000 1.071 564 M CA 1.917 57.154 55.300 -0.105 0.000 1.093 564 M CB -0.121 32.437 32.600 -0.070 0.000 1.345 564 M HN 0.118 nan 8.290 nan 0.000 0.403 565 A N -0.928 121.845 122.820 -0.078 0.000 2.016 565 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 565 A C 1.991 179.526 177.584 -0.083 0.000 1.162 565 A CA 1.821 53.842 52.037 -0.027 0.000 0.662 565 A CB -0.743 18.223 19.000 -0.058 0.000 0.812 565 A HN 0.652 nan 8.150 nan 0.000 0.450 566 T N -3.678 110.777 114.554 -0.165 0.000 3.015 566 T HA 0.217 4.567 4.350 -0.000 0.000 0.250 566 T C 1.034 175.704 174.700 -0.050 0.000 1.057 566 T CA -0.439 61.569 62.100 -0.153 0.000 1.066 566 T CB 0.013 68.615 68.868 -0.444 0.000 0.959 566 T HN 0.160 nan 8.240 nan 0.000 0.488 567 R N 2.383 122.841 120.500 -0.070 0.000 2.679 567 R HA 0.237 4.577 4.340 -0.000 0.000 0.269 567 R C -1.644 174.625 176.300 -0.052 0.000 1.076 567 R CA -1.888 54.193 56.100 -0.033 0.000 1.160 567 R CB 0.003 30.276 30.300 -0.044 0.000 1.054 567 R HN 0.195 nan 8.270 nan 0.000 0.507 568 P HA 0.007 nan 4.420 nan 0.000 0.240 568 P C -0.143 177.115 177.300 -0.070 0.000 1.190 568 P CA 0.618 63.695 63.100 -0.038 0.000 0.781 568 P CB 0.335 32.040 31.700 0.009 0.000 0.931 569 D N 0.060 120.412 120.400 -0.080 0.000 2.106 569 D HA -0.184 4.456 4.640 -0.000 0.000 0.191 569 D C 2.084 178.260 176.300 -0.205 0.000 0.997 569 D CA 1.249 55.187 54.000 -0.105 0.000 0.834 569 D CB -0.870 39.872 40.800 -0.097 0.000 0.956 569 D HN 0.094 nan 8.370 nan 0.000 0.448 570 M N 0.174 119.574 119.600 -0.334 0.000 2.080 570 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 570 M C 1.800 177.594 176.300 -0.844 0.000 1.068 570 M CA 1.581 56.473 55.300 -0.679 0.000 1.109 570 M CB -0.148 32.005 32.600 -0.745 0.000 1.342 570 M HN 0.008 nan 8.290 nan 0.000 0.405 571 T N 0.613 114.892 114.554 -0.458 0.000 2.777 571 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 571 T C 1.759 176.446 174.700 -0.022 0.000 1.040 571 T CA 1.372 63.384 62.100 -0.148 0.000 1.141 571 T CB -0.474 68.382 68.868 -0.020 0.000 0.868 571 T HN 0.569 nan 8.240 nan 0.000 0.444 572 A N 1.279 124.069 122.820 -0.050 0.000 1.883 572 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 572 A C 2.012 179.610 177.584 0.022 0.000 1.186 572 A CA 2.352 54.391 52.037 0.004 0.000 0.624 572 A CB -1.063 17.941 19.000 0.006 0.000 0.822 572 A HN 0.668 nan 8.150 nan 0.000 0.444 573 H N -1.694 117.311 119.070 -0.109 0.000 2.319 573 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 573 H C 1.844 177.237 175.328 0.108 0.000 1.092 573 H CA 2.482 58.493 56.048 -0.062 0.000 1.302 573 H CB -0.228 29.432 29.762 -0.169 0.000 1.373 573 H HN 0.623 nan 8.280 nan 0.000 0.497 574 W N 1.238 122.594 121.300 0.093 0.000 2.358 574 W HA -0.098 4.562 4.660 -0.000 0.000 0.303 574 W C 2.301 178.798 176.519 -0.037 0.000 1.208 574 W CA 0.939 58.366 57.345 0.137 0.000 1.274 574 W CB -0.780 28.829 29.460 0.247 0.000 1.138 574 W HN 0.363 nan 8.180 nan 0.000 0.515 575 E N -0.096 120.208 120.200 0.172 0.000 2.153 575 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 575 E C 2.222 178.810 176.600 -0.019 0.000 0.988 575 E CA 1.526 57.958 56.400 0.053 0.000 0.811 575 E CB -0.585 29.146 29.700 0.052 0.000 0.746 575 E HN 0.158 nan 8.360 nan 0.000 0.466 576 S N 0.226 115.902 115.700 -0.041 0.000 2.345 576 S HA -0.101 4.369 4.470 -0.000 0.000 0.219 576 S C 2.214 176.744 174.600 -0.115 0.000 1.031 576 S CA 1.203 59.356 58.200 -0.078 0.000 0.984 576 S CB -0.189 62.954 63.200 -0.096 0.000 0.874 576 S HN 0.059 nan 8.310 nan 0.000 0.451 577 V N 2.425 122.240 119.914 -0.165 0.000 2.392 577 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 577 V C 2.470 178.444 176.094 -0.201 0.000 1.059 577 V CA 1.939 64.158 62.300 -0.135 0.000 1.051 577 V CB -0.831 30.999 31.823 0.012 0.000 0.658 577 V HN 0.463 nan 8.190 nan 0.000 0.455 578 L N -0.373 120.665 121.223 -0.308 0.000 2.017 578 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 578 L C 2.656 179.416 176.870 -0.184 0.000 1.073 578 L CA 2.117 56.738 54.840 -0.365 0.000 0.745 578 L CB -0.992 40.857 42.059 -0.350 0.000 0.894 578 L HN 0.333 nan 8.230 nan 0.000 0.432 579 T N -1.052 113.433 114.554 -0.115 0.000 2.759 579 T HA -0.244 4.106 4.350 -0.000 0.000 0.269 579 T C 1.878 176.547 174.700 -0.052 0.000 1.042 579 T CA 1.296 63.358 62.100 -0.064 0.000 1.140 579 T CB -0.183 68.661 68.868 -0.040 0.000 0.864 579 T HN 0.389 nan 8.240 nan 0.000 0.455 580 Q N 0.198 119.965 119.800 -0.055 0.000 2.084 580 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 580 Q C 2.321 178.323 176.000 0.004 0.000 0.978 580 Q CA 1.238 57.028 55.803 -0.021 0.000 0.844 580 Q CB -0.383 28.346 28.738 -0.016 0.000 0.898 580 Q HN 0.512 nan 8.270 nan 0.000 0.426 581 I N 0.739 121.292 120.570 -0.028 0.000 2.226 581 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 581 I C 2.433 178.527 176.117 -0.038 0.000 1.100 581 I CA 1.394 62.683 61.300 -0.017 0.000 1.374 581 I CB -0.306 37.626 38.000 -0.113 0.000 1.057 581 I HN 0.230 nan 8.210 nan 0.000 0.413 582 S N -0.408 115.261 115.700 -0.052 0.000 2.447 582 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 582 S C 1.494 176.092 174.600 -0.005 0.000 1.006 582 S CA 0.783 58.962 58.200 -0.034 0.000 0.957 582 S CB -0.313 62.871 63.200 -0.027 0.000 0.773 582 S HN 0.473 nan 8.310 nan 0.000 0.507 583 E N 0.662 120.867 120.200 0.009 0.000 2.437 583 E HA 0.312 4.662 4.350 -0.000 0.000 0.195 583 E C -0.294 176.333 176.600 0.047 0.000 1.029 583 E CA -0.322 56.086 56.400 0.012 0.000 0.948 583 E CB -0.081 29.617 29.700 -0.005 0.000 1.082 583 E HN 0.376 nan 8.360 nan 0.000 0.456 584 K N 0.108 120.578 120.400 0.117 0.000 3.088 584 K HA -0.256 4.064 4.320 -0.000 0.000 0.273 584 K C 0.837 177.500 176.600 0.105 0.000 1.111 584 K CA 0.505 56.894 56.287 0.169 0.000 0.803 584 K CB -0.522 32.029 32.500 0.085 0.000 1.226 584 K HN 0.143 nan 8.250 nan 0.000 0.485 585 Q N -1.449 118.412 119.800 0.102 0.000 2.392 585 Q HA 0.127 4.467 4.340 -0.000 0.000 0.219 585 Q C 0.838 176.878 176.000 0.067 0.000 0.895 585 Q CA 1.200 57.039 55.803 0.061 0.000 0.929 585 Q CB 0.890 29.647 28.738 0.033 0.000 1.077 585 Q HN 0.593 nan 8.270 nan 0.000 0.532 586 C N -0.801 118.571 119.300 0.121 0.000 3.170 586 C HA 0.652 5.112 4.460 -0.000 0.000 0.319 586 C C -0.161 174.976 174.990 0.244 0.000 1.260 586 C CA -1.341 57.748 59.018 0.119 0.000 1.374 586 C CB 1.908 29.695 27.740 0.078 0.000 1.739 586 C HN 0.130 nan 8.230 nan 0.000 0.479 587 R N 0.639 121.242 120.500 0.171 0.000 2.738 587 R HA 0.109 4.449 4.340 -0.000 0.000 0.268 587 R C 0.836 177.291 176.300 0.259 0.000 1.062 587 R CA 0.052 56.303 56.100 0.251 0.000 1.158 587 R CB 0.418 30.770 30.300 0.087 0.000 1.046 587 R HN 0.938 nan 8.270 nan 0.000 0.493 588 Y N 2.049 122.447 120.300 0.163 0.000 2.165 588 Y HA -0.310 4.240 4.550 -0.000 0.000 0.286 588 Y C 1.816 177.802 175.900 0.144 0.000 1.155 588 Y CA 1.930 60.103 58.100 0.122 0.000 1.164 588 Y CB 0.116 38.626 38.460 0.083 0.000 0.978 588 Y HN 0.534 nan 8.280 nan 0.000 0.513 589 Q N 0.405 120.290 119.800 0.142 0.000 2.226 589 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 589 Q C 1.521 177.507 176.000 -0.023 0.000 0.975 589 Q CA 1.744 57.562 55.803 0.025 0.000 0.866 589 Q CB -0.237 28.552 28.738 0.084 0.000 0.915 589 Q HN 0.550 nan 8.270 nan 0.000 0.440 590 D N -0.923 119.493 120.400 0.028 0.000 2.363 590 D HA -0.061 4.579 4.640 -0.000 0.000 0.220 590 D C 0.990 177.342 176.300 0.087 0.000 0.994 590 D CA 0.382 54.407 54.000 0.042 0.000 0.890 590 D CB 0.059 40.889 40.800 0.049 0.000 0.906 590 D HN 0.225 nan 8.370 nan 0.000 0.530 591 F N 0.552 120.436 119.950 -0.109 0.000 2.317 591 F HA 0.094 4.621 4.527 -0.000 0.000 0.290 591 F C 2.018 177.702 175.800 -0.193 0.000 1.075 591 F CA 0.442 58.364 58.000 -0.130 0.000 1.380 591 F CB 0.043 38.933 39.000 -0.183 0.000 1.093 591 F HN -0.251 nan 8.300 nan 0.000 0.524 592 M N 0.772 120.081 119.600 -0.485 0.000 2.216 592 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 592 M C 2.393 178.510 176.300 -0.306 0.000 1.080 592 M CA 1.633 56.594 55.300 -0.564 0.000 1.153 592 M CB -0.945 31.329 32.600 -0.544 0.000 1.356 592 M HN 0.384 nan 8.290 nan 0.000 0.432 593 Q N 0.241 119.939 119.800 -0.170 0.000 2.047 593 Q HA -0.221 4.119 4.340 -0.000 0.000 0.211 593 Q C -1.002 174.953 176.000 -0.075 0.000 1.005 593 Q CA 2.603 58.358 55.803 -0.079 0.000 0.866 593 Q CB -1.583 27.132 28.738 -0.039 0.000 0.938 593 Q HN 0.305 nan 8.270 nan 0.000 0.414 594 P HA -0.148 nan 4.420 nan 0.000 0.215 594 P C 1.589 178.870 177.300 -0.030 0.000 1.157 594 P CA 1.079 64.165 63.100 -0.024 0.000 0.868 594 P CB -0.244 31.475 31.700 0.032 0.000 0.788 595 L N -0.654 120.444 121.223 -0.209 0.000 2.012 595 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 595 L C 2.216 179.035 176.870 -0.085 0.000 1.073 595 L CA 1.648 56.323 54.840 -0.274 0.000 0.748 595 L CB -0.820 40.769 42.059 -0.784 0.000 0.891 595 L HN -0.194 nan 8.230 nan 0.000 0.431 596 V N 0.092 119.968 119.914 -0.063 0.000 2.332 596 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 596 V C 2.582 178.793 176.094 0.194 0.000 1.055 596 V CA 1.972 64.324 62.300 0.087 0.000 1.038 596 V CB -1.405 30.476 31.823 0.097 0.000 0.651 596 V HN 0.689 nan 8.190 nan 0.000 0.450 597 G N -0.927 107.935 108.800 0.103 0.000 2.421 597 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 597 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 597 G C 1.708 176.699 174.900 0.151 0.000 1.171 597 G CA 1.486 46.646 45.100 0.101 0.000 0.775 597 G HN 0.445 nan 8.290 nan 0.000 0.543 598 T N 0.980 115.621 114.554 0.144 0.000 2.720 598 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 598 T C 2.249 177.072 174.700 0.206 0.000 1.037 598 T CA 1.309 63.517 62.100 0.179 0.000 1.144 598 T CB -0.228 68.788 68.868 0.248 0.000 0.864 598 T HN 0.146 nan 8.240 nan 0.000 0.444 599 L N -0.041 121.304 121.223 0.205 0.000 2.017 599 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 599 L C 2.056 178.973 176.870 0.080 0.000 1.073 599 L CA 1.730 56.661 54.840 0.152 0.000 0.745 599 L CB -0.873 41.238 42.059 0.087 0.000 0.894 599 L HN 0.249 nan 8.230 nan 0.000 0.432 600 Y N -0.234 120.082 120.300 0.028 0.000 2.165 600 Y HA -0.310 4.240 4.550 -0.000 0.000 0.286 600 Y C 2.906 178.814 175.900 0.014 0.000 1.155 600 Y CA 2.261 60.365 58.100 0.007 0.000 1.164 600 Y CB -0.345 38.116 38.460 0.001 0.000 0.978 600 Y HN 0.369 nan 8.280 nan 0.000 0.513 601 Q N 0.482 120.403 119.800 0.200 0.000 2.061 601 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 601 Q C 2.209 178.263 176.000 0.090 0.000 0.984 601 Q CA 1.899 57.776 55.803 0.123 0.000 0.846 601 Q CB -0.446 28.353 28.738 0.101 0.000 0.902 601 Q HN 0.544 nan 8.270 nan 0.000 0.421 602 L N 0.313 121.595 121.223 0.098 0.000 2.056 602 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 602 L C 2.466 179.367 176.870 0.052 0.000 1.078 602 L CA 0.522 55.415 54.840 0.088 0.000 0.749 602 L CB -0.401 41.732 42.059 0.124 0.000 0.901 602 L HN 0.221 nan 8.230 nan 0.000 0.433 603 I N 0.110 120.679 120.570 -0.002 0.000 2.361 603 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 603 I C 2.109 178.194 176.117 -0.053 0.000 1.133 603 I CA 1.580 62.839 61.300 -0.067 0.000 1.413 603 I CB -0.906 36.997 38.000 -0.161 0.000 1.073 603 I HN 0.352 nan 8.210 nan 0.000 0.424 604 D N 0.131 120.528 120.400 -0.005 0.000 2.162 604 D HA -0.199 4.441 4.640 -0.000 0.000 0.203 604 D C 2.237 178.539 176.300 0.003 0.000 0.967 604 D CA 0.887 54.893 54.000 0.009 0.000 0.840 604 D CB 0.153 40.983 40.800 0.050 0.000 0.972 604 D HN 0.242 nan 8.370 nan 0.000 0.482 605 Q N -0.432 119.380 119.800 0.019 0.000 2.079 605 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 605 Q C 2.099 178.103 176.000 0.007 0.000 0.974 605 Q CA 1.231 57.048 55.803 0.024 0.000 0.840 605 Q CB -0.151 28.615 28.738 0.046 0.000 0.898 605 Q HN 0.352 nan 8.270 nan 0.000 0.430 606 A N 1.360 124.173 122.820 -0.012 0.000 1.873 606 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 606 A C 1.917 179.400 177.584 -0.167 0.000 1.193 606 A CA 1.950 53.898 52.037 -0.148 0.000 0.629 606 A CB -0.488 18.338 19.000 -0.290 0.000 0.826 606 A HN 0.307 nan 8.150 nan 0.000 0.447 607 K N -0.937 119.391 120.400 -0.120 0.000 2.280 607 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 607 K C 2.064 178.631 176.600 -0.054 0.000 1.047 607 K CA 1.342 57.574 56.287 -0.092 0.000 0.942 607 K CB -0.112 32.348 32.500 -0.067 0.000 0.739 607 K HN 0.421 nan 8.250 nan 0.000 0.457 608 R N 0.018 120.498 120.500 -0.035 0.000 2.265 608 R HA 0.064 4.404 4.340 -0.000 0.000 0.194 608 R C 0.151 176.448 176.300 -0.006 0.000 0.931 608 R CA 0.126 56.217 56.100 -0.014 0.000 1.032 608 R CB 0.264 30.561 30.300 -0.004 0.000 0.980 608 R HN 0.008 nan 8.270 nan 0.000 0.497 609 T N 4.220 118.771 114.554 -0.006 0.000 2.765 609 T HA -0.000 4.350 4.350 -0.000 0.000 0.275 609 T C -2.253 172.463 174.700 0.027 0.000 1.007 609 T CA -0.473 61.638 62.100 0.019 0.000 1.175 609 T CB 0.414 69.307 68.868 0.041 0.000 0.993 609 T HN 0.023 nan 8.240 nan 0.000 0.510 610 P HA 0.084 nan 4.420 nan 0.000 0.269 610 P C 1.230 178.559 177.300 0.048 0.000 1.209 610 P CA -0.479 62.635 63.100 0.023 0.000 0.776 610 P CB 0.433 32.137 31.700 0.006 0.000 0.876 611 V N 1.128 121.078 119.914 0.060 0.000 2.667 611 V HA -0.207 3.913 4.120 -0.000 0.000 0.252 611 V C 1.930 178.096 176.094 0.119 0.000 1.065 611 V CA 0.954 63.323 62.300 0.115 0.000 1.083 611 V CB -1.051 30.825 31.823 0.088 0.000 0.692 611 V HN 0.370 nan 8.190 nan 0.000 0.468 612 R N 0.871 121.392 120.500 0.035 0.000 2.383 612 R HA -0.365 3.975 4.340 -0.000 0.000 0.213 612 R C 2.086 178.346 176.300 -0.067 0.000 1.056 612 R CA 2.554 58.648 56.100 -0.010 0.000 0.805 612 R CB -1.678 28.596 30.300 -0.043 0.000 0.844 612 R HN 0.573 nan 8.270 nan 0.000 0.417 613 Q N -0.644 119.009 119.800 -0.245 0.000 2.321 613 Q HA -0.248 4.092 4.340 -0.000 0.000 0.223 613 Q C 1.912 177.676 176.000 -0.393 0.000 1.087 613 Q CA 2.955 58.450 55.803 -0.512 0.000 0.982 613 Q CB -0.685 27.362 28.738 -1.153 0.000 1.093 613 Q HN 0.510 nan 8.270 nan 0.000 0.478 614 F N -0.385 119.584 119.950 0.032 0.000 2.727 614 F HA 0.201 4.728 4.527 -0.000 0.000 0.302 614 F C 0.649 176.488 175.800 0.064 0.000 1.097 614 F CA -0.354 57.671 58.000 0.041 0.000 1.330 614 F CB 0.131 39.154 39.000 0.038 0.000 1.084 614 F HN -0.145 nan 8.300 nan 0.000 0.578 615 R N 0.546 121.156 120.500 0.184 0.000 2.740 615 R HA 0.171 4.511 4.340 -0.000 0.000 0.263 615 R C 1.212 177.594 176.300 0.138 0.000 0.997 615 R CA 0.700 56.885 56.100 0.141 0.000 1.108 615 R CB -0.329 30.023 30.300 0.086 0.000 0.969 615 R HN 0.354 nan 8.270 nan 0.000 0.431 616 G N 3.010 111.885 108.800 0.125 0.000 2.306 616 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.274 616 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.274 616 G C 0.016 175.000 174.900 0.140 0.000 0.890 616 G CA 0.682 45.849 45.100 0.113 0.000 1.298 616 G HN 0.638 nan 8.290 nan 0.000 0.445 617 I N -1.903 118.786 120.570 0.199 0.000 2.545 617 I HA 0.799 4.969 4.170 -0.000 0.000 0.292 617 I C 0.808 177.088 176.117 0.271 0.000 1.040 617 I CA -1.589 59.861 61.300 0.249 0.000 1.068 617 I CB 1.989 40.171 38.000 0.302 0.000 1.251 617 I HN 0.388 nan 8.210 nan 0.000 0.424 647 V N 2.020 121.997 119.914 0.105 0.000 2.599 647 V HA 0.488 4.607 4.120 -0.000 0.000 0.300 647 V C 1.308 177.430 176.094 0.046 0.000 1.034 647 V CA 1.069 63.428 62.300 0.098 0.000 1.115 647 V CB 0.429 32.343 31.823 0.152 0.000 0.934 647 V HN 1.125 nan 8.190 nan 0.000 0.485 648 G N 3.305 112.118 108.800 0.021 0.000 2.245 648 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 648 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 648 G C 1.156 176.020 174.900 -0.060 0.000 0.985 648 G CA 1.303 46.385 45.100 -0.030 0.000 0.625 648 G HN 2.002 nan 8.290 nan 0.000 0.536 649 S N 0.241 115.923 115.700 -0.030 0.000 2.447 649 S HA 0.204 4.674 4.470 -0.000 0.000 0.233 649 S C 2.404 176.989 174.600 -0.026 0.000 1.006 649 S CA 1.429 59.609 58.200 -0.033 0.000 0.957 649 S CB -0.513 62.692 63.200 0.009 0.000 0.773 649 S HN 1.529 nan 8.310 nan 0.000 0.507 650 G N 1.566 110.366 108.800 -0.000 0.000 2.404 650 G HA2 0.094 4.054 3.960 -0.000 0.000 0.215 650 G HA3 0.094 4.054 3.960 -0.000 0.000 0.215 650 G C 1.701 176.666 174.900 0.109 0.000 1.174 650 G CA 0.701 45.817 45.100 0.027 0.000 0.780 650 G HN 0.757 nan 8.290 nan 0.000 0.537 651 A N 0.878 123.756 122.820 0.096 0.000 1.908 651 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 651 A C 2.406 180.056 177.584 0.110 0.000 1.181 651 A CA 1.412 53.516 52.037 0.113 0.000 0.627 651 A CB -0.413 18.611 19.000 0.040 0.000 0.818 651 A HN 0.380 nan 8.150 nan 0.000 0.445 652 I N -0.201 120.385 120.570 0.027 0.000 2.208 652 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 652 I C 2.928 179.221 176.117 0.294 0.000 1.097 652 I CA 1.211 62.553 61.300 0.069 0.000 1.363 652 I CB -0.322 37.615 38.000 -0.106 0.000 1.051 652 I HN 0.357 nan 8.210 nan 0.000 0.413 653 A N -0.160 122.734 122.820 0.123 0.000 1.969 653 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 653 A C 1.900 179.482 177.584 -0.003 0.000 1.169 653 A CA 1.472 53.450 52.037 -0.099 0.000 0.635 653 A CB -1.038 17.748 19.000 -0.358 0.000 0.810 653 A HN 0.509 nan 8.150 nan 0.000 0.445 654 H N -3.039 116.132 119.070 0.170 0.000 2.547 654 H HA 0.048 4.604 4.556 -0.000 0.000 0.266 654 H C 1.355 176.823 175.328 0.233 0.000 0.988 654 H CA 0.989 57.117 56.048 0.134 0.000 1.147 654 H CB 0.056 29.839 29.762 0.035 0.000 1.365 654 H HN 0.728 nan 8.280 nan 0.000 0.589 655 H N -1.558 117.700 119.070 0.313 0.000 2.652 655 H HA 0.075 4.631 4.556 -0.000 0.000 0.274 655 H C 1.225 176.734 175.328 0.303 0.000 1.021 655 H CA 0.193 56.397 56.048 0.259 0.000 1.187 655 H CB 0.232 30.103 29.762 0.181 0.000 1.505 655 H HN 0.282 nan 8.280 nan 0.000 0.530 656 H N -0.772 118.426 119.070 0.213 0.000 2.489 656 H HA -0.053 4.503 4.556 -0.000 0.000 0.293 656 H C 0.346 175.659 175.328 -0.025 0.000 1.066 656 H CA 1.134 57.241 56.048 0.098 0.000 1.305 656 H CB -0.216 29.563 29.762 0.028 0.000 1.386 656 H HN 0.441 nan 8.280 nan 0.000 0.551 657 H N 1.127 120.210 119.070 0.021 0.000 2.998 657 H HA 0.036 4.592 4.556 -0.000 0.000 0.241 657 H C 0.731 175.950 175.328 -0.182 0.000 1.852 657 H CA -0.242 55.740 56.048 -0.110 0.000 1.419 657 H CB -1.019 28.713 29.762 -0.050 0.000 1.793 657 H HN 0.514 nan 8.280 nan 0.000 0.553 658 H N 0.000 119.044 119.070 -0.043 0.000 2.539 658 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 658 H CA 0.000 55.995 56.048 -0.088 0.000 1.023 658 H CB 0.000 29.712 29.762 -0.083 0.000 1.292 658 H HN 0.000 nan 8.280 nan 0.000 0.496