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 1d6m_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLFIAEKPS LARAIADVLP KPHRKGDGFI ECGNGQVVTW CIGHLLEQAQ DATA SEQUENCE PDAYDSRYAR WNLADLPIVP EKWQLQPRPS VTKQLNVIKR FLHEASEIVH DATA SEQUENCE AGDPDREGQL LVDEVLDYLQ LAPEKRQQVQ RCLINDLNPQ AVERAIDRLR DATA SEQUENCE SNSEFVPLCV SALARARADW LYGINMTRAY TILGXXXXXX 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 QLIDQAKRT 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.320 55.300 0.033 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 R N 0.978 121.491 120.500 0.023 0.000 2.439 2 R HA 0.762 5.102 4.340 -0.000 0.000 0.310 2 R C -2.121 174.173 176.300 -0.010 0.000 0.955 2 R CA -0.718 55.373 56.100 -0.015 0.000 0.853 2 R CB 1.462 31.760 30.300 -0.003 0.000 1.171 2 R HN 0.844 nan 8.270 nan 0.000 0.449 3 L N 5.287 126.459 121.223 -0.084 0.000 2.264 3 L HA 0.441 4.781 4.340 -0.000 0.000 0.289 3 L C -1.452 175.338 176.870 -0.132 0.000 1.044 3 L CA -0.020 54.779 54.840 -0.069 0.000 0.807 3 L CB 0.793 42.815 42.059 -0.061 0.000 1.192 3 L HN 0.497 nan 8.230 nan 0.000 0.425 4 F N 6.294 126.216 119.950 -0.046 0.000 2.313 4 F HA 0.429 4.956 4.527 -0.000 0.000 0.369 4 F C 0.197 175.994 175.800 -0.006 0.000 1.109 4 F CA -0.281 57.711 58.000 -0.014 0.000 1.132 4 F CB 0.693 39.691 39.000 -0.003 0.000 1.291 4 F HN 0.304 nan 8.300 nan 0.000 0.496 5 I N 4.457 125.087 120.570 0.100 0.000 2.269 5 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 5 I C 0.542 176.723 176.117 0.106 0.000 1.106 5 I CA -0.296 61.044 61.300 0.068 0.000 1.248 5 I CB 0.167 38.148 38.000 -0.032 0.000 1.444 5 I HN 0.573 nan 8.210 nan 0.000 0.497 6 A N 4.511 127.436 122.820 0.176 0.000 2.272 6 A HA 0.226 4.546 4.320 -0.000 0.000 0.275 6 A C 1.297 178.958 177.584 0.128 0.000 1.096 6 A CA -0.302 51.829 52.037 0.157 0.000 0.822 6 A CB 0.623 19.717 19.000 0.156 0.000 1.088 6 A HN 0.744 nan 8.150 nan 0.000 0.495 7 E N 0.112 120.363 120.200 0.085 0.000 2.051 7 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 7 E C 0.283 176.924 176.600 0.069 0.000 0.991 7 E CA 2.023 58.456 56.400 0.056 0.000 0.799 7 E CB -0.111 29.616 29.700 0.045 0.000 0.748 7 E HN 0.659 nan 8.360 nan 0.000 0.449 8 K N -2.943 117.479 120.400 0.037 0.000 2.522 8 K HA 0.377 4.697 4.320 -0.000 0.000 0.275 8 K C -2.470 173.960 176.600 -0.284 0.000 1.006 8 K CA -1.588 54.664 56.287 -0.058 0.000 0.890 8 K CB 1.256 33.712 32.500 -0.073 0.000 1.475 8 K HN -0.361 nan 8.250 nan 0.000 0.441 9 P HA -0.280 nan 4.420 nan 0.000 0.215 9 P C 1.435 178.364 177.300 -0.618 0.000 1.157 9 P CA 1.997 64.419 63.100 -1.130 0.000 0.868 9 P CB -0.016 31.052 31.700 -1.053 0.000 0.788 10 S N -0.291 115.175 115.700 -0.389 0.000 2.365 10 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 10 S C 1.941 176.401 174.600 -0.232 0.000 1.039 10 S CA 1.703 59.738 58.200 -0.274 0.000 1.033 10 S CB -1.624 61.451 63.200 -0.208 0.000 0.887 10 S HN 0.056 nan 8.310 nan 0.000 0.447 11 L N 1.539 122.655 121.223 -0.179 0.000 2.217 11 L HA 0.300 4.640 4.340 -0.000 0.000 0.211 11 L C 2.579 179.378 176.870 -0.120 0.000 1.107 11 L CA 1.443 56.211 54.840 -0.120 0.000 0.783 11 L CB -0.946 41.090 42.059 -0.038 0.000 0.919 11 L HN 0.408 nan 8.230 nan 0.000 0.442 12 A N -0.288 122.443 122.820 -0.149 0.000 1.930 12 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 12 A C 2.398 179.892 177.584 -0.150 0.000 1.175 12 A CA 1.481 53.472 52.037 -0.077 0.000 0.627 12 A CB -0.436 18.584 19.000 0.034 0.000 0.815 12 A HN 0.470 nan 8.150 nan 0.000 0.443 13 R N -0.401 119.956 120.500 -0.237 0.000 2.070 13 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 13 R C 2.546 178.723 176.300 -0.206 0.000 1.137 13 R CA 1.319 57.285 56.100 -0.224 0.000 0.945 13 R CB -0.552 29.608 30.300 -0.233 0.000 0.845 13 R HN 0.494 nan 8.270 nan 0.000 0.430 14 A N 1.394 124.102 122.820 -0.186 0.000 1.892 14 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 14 A C 2.187 179.665 177.584 -0.176 0.000 1.188 14 A CA 1.629 53.568 52.037 -0.164 0.000 0.631 14 A CB -0.699 18.210 19.000 -0.151 0.000 0.822 14 A HN 0.229 nan 8.150 nan 0.000 0.447 15 I N -0.361 120.091 120.570 -0.197 0.000 2.113 15 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 15 I C 3.028 178.944 176.117 -0.335 0.000 1.070 15 I CA 1.218 62.346 61.300 -0.287 0.000 1.332 15 I CB -0.623 37.155 38.000 -0.369 0.000 1.044 15 I HN 0.363 nan 8.210 nan 0.000 0.402 16 A N 0.606 123.237 122.820 -0.316 0.000 1.892 16 A HA -0.352 3.968 4.320 -0.000 0.000 0.218 16 A C 1.978 179.263 177.584 -0.498 0.000 1.188 16 A CA 2.527 54.339 52.037 -0.375 0.000 0.631 16 A CB -0.993 17.801 19.000 -0.343 0.000 0.822 16 A HN 0.496 nan 8.150 nan 0.000 0.447 17 D N -0.476 119.691 120.400 -0.388 0.000 2.170 17 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 17 D C 1.642 177.896 176.300 -0.076 0.000 1.004 17 D CA 2.242 56.105 54.000 -0.229 0.000 0.860 17 D CB -0.105 40.611 40.800 -0.139 0.000 0.931 17 D HN 0.489 nan 8.370 nan 0.000 0.448 18 V N -1.811 118.044 119.914 -0.098 0.000 3.647 18 V HA 0.301 4.420 4.120 -0.000 0.000 0.279 18 V C 0.778 176.857 176.094 -0.025 0.000 1.314 18 V CA -0.265 62.011 62.300 -0.041 0.000 1.125 18 V CB -0.542 31.248 31.823 -0.054 0.000 0.907 18 V HN 0.025 nan 8.190 nan 0.000 0.434 19 L N 0.591 121.790 121.223 -0.040 0.000 2.431 19 L HA 0.523 4.863 4.340 -0.000 0.000 0.260 19 L C -1.947 175.010 176.870 0.145 0.000 1.098 19 L CA -2.060 52.781 54.840 0.001 0.000 0.800 19 L CB 0.875 42.876 42.059 -0.096 0.000 1.210 19 L HN 0.046 nan 8.230 nan 0.000 0.465 20 P HA -0.024 nan 4.420 nan 0.000 0.267 20 P C -0.077 177.265 177.300 0.070 0.000 1.195 20 P CA 0.052 63.203 63.100 0.085 0.000 0.773 20 P CB 0.453 32.189 31.700 0.060 0.000 0.837 21 K N 2.289 122.662 120.400 -0.045 0.000 2.031 21 K HA -0.190 4.130 4.320 -0.000 0.000 0.228 21 K C -0.993 175.407 176.600 -0.334 0.000 1.050 21 K CA 1.853 58.033 56.287 -0.178 0.000 0.980 21 K CB -2.195 30.249 32.500 -0.092 0.000 0.738 21 K HN 0.619 nan 8.250 nan 0.000 0.451 22 P HA 0.053 nan 4.420 nan 0.000 0.279 22 P C -1.299 175.988 177.300 -0.021 0.000 1.318 22 P CA 0.336 63.364 63.100 -0.120 0.000 0.819 22 P CB 0.571 32.256 31.700 -0.026 0.000 0.927 23 H N 3.999 123.074 119.070 0.008 0.000 2.623 23 H HA 0.288 4.844 4.556 -0.000 0.000 0.299 23 H C 0.644 175.979 175.328 0.011 0.000 1.052 23 H CA -0.423 55.629 56.048 0.007 0.000 1.231 23 H CB 0.839 30.596 29.762 -0.009 0.000 1.389 23 H HN 0.213 nan 8.280 nan 0.000 0.469 24 R N 2.625 123.211 120.500 0.142 0.000 2.204 24 R HA 0.124 4.464 4.340 -0.000 0.000 0.341 24 R C 0.420 176.735 176.300 0.024 0.000 1.035 24 R CA -0.574 55.578 56.100 0.087 0.000 0.887 24 R CB 1.433 31.799 30.300 0.111 0.000 1.114 24 R HN 0.500 nan 8.270 nan 0.000 0.473 25 K N 2.641 123.032 120.400 -0.014 0.000 2.395 25 K HA 0.076 4.396 4.320 -0.000 0.000 0.283 25 K C -0.074 176.381 176.600 -0.241 0.000 1.068 25 K CA 0.098 56.333 56.287 -0.086 0.000 1.039 25 K CB 0.450 32.926 32.500 -0.039 0.000 0.924 25 K HN 0.692 nan 8.250 nan 0.000 0.468 26 G N 2.535 110.973 108.800 -0.603 0.000 2.671 26 G HA2 0.161 4.121 3.960 -0.000 0.000 0.275 26 G HA3 0.161 4.121 3.960 -0.000 0.000 0.275 26 G C -0.981 173.493 174.900 -0.709 0.000 1.368 26 G CA -0.588 43.792 45.100 -1.201 0.000 1.044 26 G HN 0.675 nan 8.290 nan 0.000 0.543 27 D N 0.150 120.229 120.400 -0.535 0.000 2.485 27 D HA 0.435 5.074 4.640 -0.000 0.000 0.221 27 D C 1.069 177.367 176.300 -0.004 0.000 1.112 27 D CA 0.936 54.888 54.000 -0.081 0.000 0.911 27 D CB 0.610 41.457 40.800 0.079 0.000 1.019 27 D HN 0.822 nan 8.370 nan 0.000 0.516 28 G N 2.462 111.164 108.800 -0.162 0.000 2.176 28 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 28 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 28 G C 0.139 174.408 174.900 -1.050 0.000 0.979 28 G CA 0.609 45.357 45.100 -0.586 0.000 0.641 28 G HN 0.510 nan 8.290 nan 0.000 0.530 29 F N -1.817 117.691 119.950 -0.736 0.000 2.745 29 F HA 0.851 5.378 4.527 -0.000 0.000 0.316 29 F C -0.951 174.822 175.800 -0.044 0.000 1.155 29 F CA -2.448 55.262 58.000 -0.483 0.000 0.937 29 F CB 1.097 39.900 39.000 -0.330 0.000 1.361 29 F HN 0.037 nan 8.300 nan 0.000 0.472 30 I N 1.500 122.136 120.570 0.110 0.000 2.534 30 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 30 I C -0.969 175.247 176.117 0.166 0.000 1.094 30 I CA -0.514 60.833 61.300 0.078 0.000 1.055 30 I CB 1.912 39.968 38.000 0.094 0.000 1.225 30 I HN 0.602 nan 8.210 nan 0.000 0.435 31 E N 5.050 125.380 120.200 0.217 0.000 2.180 31 E HA 0.309 4.659 4.350 -0.000 0.000 0.283 31 E C -1.132 175.560 176.600 0.153 0.000 1.061 31 E CA -0.100 56.432 56.400 0.219 0.000 0.861 31 E CB 1.265 31.134 29.700 0.282 0.000 1.056 31 E HN 0.561 nan 8.360 nan 0.000 0.407 32 C N 2.369 121.744 119.300 0.126 0.000 2.595 32 C HA 0.596 5.056 4.460 -0.000 0.000 0.338 32 C C 1.034 176.097 174.990 0.121 0.000 1.219 32 C CA -0.704 58.407 59.018 0.155 0.000 1.811 32 C CB 1.350 29.161 27.740 0.119 0.000 2.313 32 C HN 0.861 nan 8.230 nan 0.000 0.499 33 G N 0.814 109.683 108.800 0.115 0.000 2.716 33 G HA2 0.300 4.260 3.960 -0.000 0.000 0.251 33 G HA3 0.300 4.260 3.960 -0.000 0.000 0.251 33 G C 0.338 175.281 174.900 0.071 0.000 1.224 33 G CA 0.399 45.543 45.100 0.073 0.000 0.891 33 G HN 1.054 nan 8.290 nan 0.000 0.561 34 N N -1.174 117.560 118.700 0.057 0.000 2.725 34 N HA -0.108 4.632 4.740 -0.000 0.000 0.251 34 N C 0.919 176.466 175.510 0.063 0.000 1.031 34 N CA 2.091 55.175 53.050 0.055 0.000 0.720 34 N CB -1.307 37.213 38.487 0.055 0.000 0.930 34 N HN 2.071 nan 8.380 nan 0.000 0.543 35 G N 0.354 109.191 108.800 0.061 0.000 2.334 35 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.279 35 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.279 35 G C -0.347 174.598 174.900 0.074 0.000 0.918 35 G CA 0.792 45.929 45.100 0.062 0.000 1.314 35 G HN 0.711 nan 8.290 nan 0.000 0.463 36 Q N -0.804 119.046 119.800 0.083 0.000 2.295 36 Q HA 0.560 4.900 4.340 -0.000 0.000 0.259 36 Q C -0.380 175.668 176.000 0.080 0.000 0.966 36 Q CA -0.547 55.324 55.803 0.113 0.000 0.763 36 Q CB 2.265 31.078 28.738 0.124 0.000 1.283 36 Q HN 0.480 nan 8.270 nan 0.000 0.445 37 V N 2.634 122.575 119.914 0.046 0.000 2.513 37 V HA 0.668 4.788 4.120 -0.000 0.000 0.299 37 V C -0.459 175.634 176.094 -0.001 0.000 1.035 37 V CA -0.919 61.337 62.300 -0.073 0.000 0.889 37 V CB 1.927 33.513 31.823 -0.396 0.000 0.988 37 V HN 0.479 nan 8.190 nan 0.000 0.440 38 V N 3.323 123.241 119.914 0.007 0.000 2.326 38 V HA 0.486 4.606 4.120 -0.000 0.000 0.281 38 V C 0.263 176.422 176.094 0.108 0.000 1.015 38 V CA -0.025 62.334 62.300 0.099 0.000 0.823 38 V CB 1.205 33.074 31.823 0.076 0.000 1.009 38 V HN 1.033 nan 8.190 nan 0.000 0.436 39 T N 4.219 118.799 114.554 0.044 0.000 2.870 39 T HA 0.826 5.176 4.350 -0.000 0.000 0.277 39 T C -1.427 173.380 174.700 0.178 0.000 1.000 39 T CA -0.442 61.611 62.100 -0.079 0.000 0.982 39 T CB 1.575 70.317 68.868 -0.210 0.000 1.249 39 T HN 0.835 nan 8.240 nan 0.000 0.589 40 W N -0.628 120.694 121.300 0.037 0.000 3.153 40 W HA 0.656 5.316 4.660 -0.000 0.000 0.316 40 W C -1.416 175.107 176.519 0.007 0.000 1.255 40 W CA -1.233 56.119 57.345 0.012 0.000 1.192 40 W CB -0.153 29.307 29.460 0.001 0.000 1.400 40 W HN 0.643 nan 8.180 nan 0.000 0.568 41 C N 1.848 121.298 119.300 0.251 0.000 2.480 41 C HA 0.645 5.105 4.460 -0.000 0.000 0.358 41 C C 0.622 175.745 174.990 0.221 0.000 1.309 41 C CA -0.334 58.767 59.018 0.139 0.000 2.465 41 C CB 0.124 27.882 27.740 0.031 0.000 2.379 41 C HN 0.563 nan 8.230 nan 0.000 0.642 42 I N 2.199 122.853 120.570 0.140 0.000 2.926 42 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 42 I C 0.716 176.873 176.117 0.065 0.000 1.463 42 I CA 0.414 61.796 61.300 0.137 0.000 0.892 42 I CB -0.257 37.840 38.000 0.161 0.000 1.874 42 I HN 1.058 nan 8.210 nan 0.000 0.620 43 G N 2.276 111.088 108.800 0.019 0.000 2.698 43 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.233 43 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.233 43 G C -0.312 174.552 174.900 -0.059 0.000 1.352 43 G CA -0.696 44.394 45.100 -0.016 0.000 0.879 43 G HN 0.566 nan 8.290 nan 0.000 0.567 44 H N 0.593 119.677 119.070 0.023 0.000 2.929 44 H HA 0.248 4.804 4.556 -0.000 0.000 0.317 44 H C 1.636 176.958 175.328 -0.010 0.000 1.031 44 H CA 0.659 56.709 56.048 0.004 0.000 1.466 44 H CB 0.687 30.450 29.762 0.002 0.000 1.482 44 H HN 0.398 nan 8.280 nan 0.000 0.561 45 L N 2.441 123.697 121.223 0.056 0.000 2.162 45 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 45 L C 0.691 177.529 176.870 -0.053 0.000 1.086 45 L CA 0.596 55.436 54.840 0.000 0.000 0.778 45 L CB -0.045 41.998 42.059 -0.026 0.000 0.928 45 L HN 0.337 nan 8.230 nan 0.000 0.446 46 L N 0.430 121.607 121.223 -0.077 0.000 2.431 46 L HA 0.344 4.684 4.340 -0.000 0.000 0.260 46 L C 0.039 176.881 176.870 -0.047 0.000 1.098 46 L CA 0.030 54.776 54.840 -0.156 0.000 0.800 46 L CB 1.016 42.928 42.059 -0.245 0.000 1.210 46 L HN 0.268 nan 8.230 nan 0.000 0.465 47 E N -0.644 119.517 120.200 -0.065 0.000 2.423 47 E HA 0.422 4.772 4.350 -0.000 0.000 0.280 47 E C -1.437 175.159 176.600 -0.007 0.000 1.030 47 E CA -0.909 55.472 56.400 -0.031 0.000 0.812 47 E CB 1.379 31.079 29.700 0.001 0.000 1.313 47 E HN 0.378 nan 8.360 nan 0.000 0.456 48 Q N 0.806 120.623 119.800 0.029 0.000 2.294 48 Q HA 0.512 4.852 4.340 -0.000 0.000 0.257 48 Q C -0.570 175.485 176.000 0.091 0.000 0.955 48 Q CA -0.247 55.585 55.803 0.048 0.000 0.936 48 Q CB 1.354 30.116 28.738 0.040 0.000 1.188 48 Q HN 0.622 nan 8.270 nan 0.000 0.420 49 A N 3.929 126.766 122.820 0.028 0.000 2.587 49 A HA -0.031 4.289 4.320 -0.000 0.000 0.233 49 A C -0.026 177.657 177.584 0.164 0.000 1.049 49 A CA 0.024 52.052 52.037 -0.015 0.000 0.754 49 A CB 0.286 19.128 19.000 -0.264 0.000 0.977 49 A HN 0.672 nan 8.150 nan 0.000 0.509 50 Q N 1.649 121.578 119.800 0.216 0.000 2.318 50 Q HA 0.203 4.543 4.340 -0.000 0.000 0.222 50 Q C -1.552 174.724 176.000 0.460 0.000 1.003 50 Q CA -1.822 54.228 55.803 0.411 0.000 0.936 50 Q CB -0.122 28.768 28.738 0.254 0.000 1.204 50 Q HN 0.449 nan 8.270 nan 0.000 0.524 51 P HA -0.232 nan 4.420 nan 0.000 0.216 51 P C 0.519 178.086 177.300 0.445 0.000 1.154 51 P CA 2.044 65.429 63.100 0.476 0.000 0.865 51 P CB 0.060 31.866 31.700 0.175 0.000 0.789 52 D N -0.725 119.859 120.400 0.305 0.000 2.263 52 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 52 D C 1.675 178.058 176.300 0.138 0.000 0.971 52 D CA 1.142 55.279 54.000 0.229 0.000 0.867 52 D CB -0.928 39.967 40.800 0.159 0.000 0.929 52 D HN 0.120 nan 8.370 nan 0.000 0.492 53 A N -0.639 122.210 122.820 0.048 0.000 2.066 53 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 53 A C 1.515 178.969 177.584 -0.216 0.000 1.157 53 A CA 0.719 52.674 52.037 -0.137 0.000 0.670 53 A CB -0.818 18.011 19.000 -0.285 0.000 0.804 53 A HN 0.365 nan 8.150 nan 0.000 0.453 54 Y N -0.876 119.504 120.300 0.133 0.000 2.314 54 Y HA 0.215 4.765 4.550 -0.000 0.000 0.294 54 Y C 0.532 176.498 175.900 0.110 0.000 1.119 54 Y CA 0.877 59.046 58.100 0.116 0.000 1.179 54 Y CB 0.225 38.764 38.460 0.132 0.000 1.025 54 Y HN 0.346 nan 8.280 nan 0.000 0.541 55 D N -1.879 118.678 120.400 0.260 0.000 2.966 55 D HA 0.185 4.825 4.640 -0.000 0.000 0.222 55 D C 0.336 176.604 176.300 -0.053 0.000 1.292 55 D CA 0.064 54.033 54.000 -0.052 0.000 0.907 55 D CB 1.188 41.720 40.800 -0.447 0.000 1.621 55 D HN -0.047 nan 8.370 nan 0.000 0.557 56 S N 2.467 118.139 115.700 -0.046 0.000 2.419 56 S HA -0.205 4.265 4.470 -0.000 0.000 0.235 56 S C 1.679 176.271 174.600 -0.013 0.000 1.019 56 S CA 0.669 58.865 58.200 -0.006 0.000 0.982 56 S CB -0.100 63.093 63.200 -0.010 0.000 0.789 56 S HN 0.474 nan 8.310 nan 0.000 0.490 57 R N 0.157 120.597 120.500 -0.099 0.000 2.235 57 R HA 0.143 4.483 4.340 -0.000 0.000 0.213 57 R C 0.858 177.157 176.300 -0.003 0.000 1.059 57 R CA 0.655 56.705 56.100 -0.083 0.000 0.997 57 R CB -0.645 29.564 30.300 -0.152 0.000 0.884 57 R HN 0.471 nan 8.270 nan 0.000 0.462 58 Y N -0.270 120.073 120.300 0.072 0.000 2.502 58 Y HA 0.229 4.779 4.550 -0.000 0.000 0.295 58 Y C 1.821 177.792 175.900 0.118 0.000 1.193 58 Y CA -0.355 57.794 58.100 0.083 0.000 1.295 58 Y CB -0.523 37.993 38.460 0.093 0.000 1.059 58 Y HN 0.063 nan 8.280 nan 0.000 0.514 59 A N 0.651 123.617 122.820 0.243 0.000 2.021 59 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 59 A C 1.247 178.971 177.584 0.234 0.000 1.163 59 A CA 0.013 52.178 52.037 0.213 0.000 0.676 59 A CB -0.267 18.811 19.000 0.131 0.000 0.818 59 A HN 0.350 nan 8.150 nan 0.000 0.453 60 R N -1.187 119.440 120.500 0.211 0.000 2.265 60 R HA 0.310 4.650 4.340 -0.000 0.000 0.319 60 R C -1.571 174.926 176.300 0.330 0.000 1.006 60 R CA -0.721 55.502 56.100 0.205 0.000 0.880 60 R CB 0.516 30.887 30.300 0.117 0.000 1.077 60 R HN 0.219 nan 8.270 nan 0.000 0.454 61 W N 3.881 125.194 121.300 0.021 0.000 2.659 61 W HA 0.101 4.761 4.660 -0.000 0.000 0.342 61 W C 0.027 176.548 176.519 0.004 0.000 1.287 61 W CA -0.306 57.042 57.345 0.005 0.000 1.460 61 W CB -0.485 28.969 29.460 -0.010 0.000 1.503 61 W HN 0.712 nan 8.180 nan 0.000 0.483 62 N N 2.024 120.821 118.700 0.162 0.000 2.352 62 N HA 0.239 4.979 4.740 -0.000 0.000 0.291 62 N C -0.017 175.509 175.510 0.026 0.000 1.040 62 N CA -0.632 52.475 53.050 0.095 0.000 0.864 62 N CB 1.288 39.831 38.487 0.094 0.000 1.440 62 N HN 0.130 nan 8.380 nan 0.000 0.483 63 L N 3.225 124.451 121.223 0.005 0.000 2.013 63 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 63 L C 2.365 179.218 176.870 -0.028 0.000 1.073 63 L CA 2.406 57.223 54.840 -0.038 0.000 0.753 63 L CB -0.780 41.264 42.059 -0.025 0.000 0.890 63 L HN 0.906 nan 8.230 nan 0.000 0.432 64 A N -0.158 122.664 122.820 0.004 0.000 1.971 64 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 64 A C 1.362 178.961 177.584 0.025 0.000 1.182 64 A CA 2.236 54.283 52.037 0.017 0.000 0.649 64 A CB -0.933 18.084 19.000 0.028 0.000 0.818 64 A HN 0.696 nan 8.150 nan 0.000 0.458 65 D N -1.815 118.605 120.400 0.034 0.000 2.593 65 D HA 0.260 4.900 4.640 -0.000 0.000 0.241 65 D C 0.906 177.186 176.300 -0.034 0.000 1.257 65 D CA -0.564 53.469 54.000 0.055 0.000 0.828 65 D CB -0.157 40.741 40.800 0.164 0.000 1.049 65 D HN 0.106 nan 8.370 nan 0.000 0.490 66 L N 0.935 122.100 121.223 -0.097 0.000 1.951 66 L HA -0.006 4.334 4.340 -0.000 0.000 0.222 66 L C -1.464 175.227 176.870 -0.298 0.000 1.078 66 L CA 1.719 56.436 54.840 -0.205 0.000 0.778 66 L CB -1.791 40.133 42.059 -0.226 0.000 0.893 66 L HN 0.042 nan 8.230 nan 0.000 0.436 67 P HA 0.025 nan 4.420 nan 0.000 0.258 67 P C -0.551 176.539 177.300 -0.351 0.000 1.214 67 P CA 0.695 63.547 63.100 -0.414 0.000 0.872 67 P CB -0.438 30.864 31.700 -0.664 0.000 0.890 68 I N 4.323 124.665 120.570 -0.380 0.000 2.291 68 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 68 I C 0.018 175.971 176.117 -0.273 0.000 1.050 68 I CA -0.438 60.603 61.300 -0.431 0.000 1.245 68 I CB 0.988 38.627 38.000 -0.601 0.000 1.405 68 I HN 0.009 nan 8.210 nan 0.000 0.478 69 V N 8.527 128.275 119.914 -0.276 0.000 2.289 69 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 69 V C -2.059 173.780 176.094 -0.424 0.000 1.026 69 V CA -1.727 60.423 62.300 -0.249 0.000 0.807 69 V CB 0.604 32.353 31.823 -0.122 0.000 1.044 69 V HN 0.559 nan 8.190 nan 0.000 0.443 70 P HA 0.031 nan 4.420 nan 0.000 0.264 70 P C 0.573 177.493 177.300 -0.633 0.000 1.179 70 P CA 0.362 62.791 63.100 -1.118 0.000 0.763 70 P CB 0.835 31.224 31.700 -2.185 0.000 0.806 71 E N 1.283 121.275 120.200 -0.348 0.000 2.489 71 E HA 0.079 4.429 4.350 -0.000 0.000 0.204 71 E C 0.161 176.735 176.600 -0.044 0.000 1.006 71 E CA 0.485 56.815 56.400 -0.117 0.000 0.936 71 E CB 0.509 30.185 29.700 -0.040 0.000 1.002 71 E HN 0.311 nan 8.360 nan 0.000 0.488 72 K N 0.387 120.725 120.400 -0.104 0.000 2.705 72 K HA 0.134 4.454 4.320 -0.000 0.000 0.238 72 K C -1.415 175.217 176.600 0.054 0.000 0.996 72 K CA -0.430 55.877 56.287 0.033 0.000 1.007 72 K CB 0.441 32.974 32.500 0.055 0.000 1.206 72 K HN -0.129 nan 8.250 nan 0.000 0.488 73 W N 2.598 123.919 121.300 0.034 0.000 2.210 73 W HA 0.135 4.795 4.660 -0.000 0.000 0.330 73 W C 0.735 177.315 176.519 0.102 0.000 1.334 73 W CA 0.135 57.510 57.345 0.050 0.000 1.227 73 W CB 0.596 30.033 29.460 -0.038 0.000 1.178 73 W HN 0.267 nan 8.180 nan 0.000 0.560 74 Q N 2.725 122.727 119.800 0.338 0.000 2.337 74 Q HA 0.615 4.955 4.340 -0.000 0.000 0.266 74 Q C -0.668 175.408 176.000 0.126 0.000 1.023 74 Q CA -0.886 55.008 55.803 0.151 0.000 0.829 74 Q CB 1.970 30.664 28.738 -0.074 0.000 1.306 74 Q HN 0.368 nan 8.270 nan 0.000 0.449 75 L N 1.341 122.654 121.223 0.150 0.000 2.322 75 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 75 L C -0.577 176.347 176.870 0.090 0.000 1.012 75 L CA -0.783 54.116 54.840 0.099 0.000 0.815 75 L CB 2.035 44.145 42.059 0.083 0.000 1.295 75 L HN 0.512 nan 8.230 nan 0.000 0.438 76 Q N 1.125 120.910 119.800 -0.025 0.000 2.347 76 Q HA 0.394 4.734 4.340 -0.000 0.000 0.271 76 Q C -2.535 173.375 176.000 -0.151 0.000 1.064 76 Q CA -1.854 53.928 55.803 -0.036 0.000 0.800 76 Q CB 3.083 31.820 28.738 -0.001 0.000 1.304 76 Q HN 0.227 nan 8.270 nan 0.000 0.438 77 P HA -0.067 nan 4.420 nan 0.000 0.261 77 P C -1.082 176.180 177.300 -0.063 0.000 1.183 77 P CA 0.236 63.243 63.100 -0.155 0.000 0.761 77 P CB 0.369 32.029 31.700 -0.066 0.000 0.785 78 R N 7.016 127.487 120.500 -0.048 0.000 2.401 78 R HA 0.086 4.426 4.340 -0.000 0.000 0.299 78 R C -1.206 175.099 176.300 0.008 0.000 1.064 78 R CA -1.395 54.703 56.100 -0.002 0.000 1.000 78 R CB 0.220 30.533 30.300 0.022 0.000 0.973 78 R HN 0.363 nan 8.270 nan 0.000 0.438 79 P HA -0.221 nan 4.420 nan 0.000 0.215 79 P C 0.884 178.198 177.300 0.023 0.000 1.157 79 P CA 1.696 64.808 63.100 0.020 0.000 0.874 79 P CB 0.057 31.772 31.700 0.024 0.000 0.790 80 S N -0.389 115.329 115.700 0.029 0.000 2.453 80 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 80 S C 1.508 176.129 174.600 0.035 0.000 1.005 80 S CA 1.096 59.315 58.200 0.032 0.000 0.949 80 S CB -1.373 61.848 63.200 0.036 0.000 0.774 80 S HN 0.141 nan 8.310 nan 0.000 0.510 81 V N 0.208 120.142 119.914 0.033 0.000 2.940 81 V HA 0.380 4.500 4.120 -0.000 0.000 0.366 81 V C 1.344 177.451 176.094 0.021 0.000 1.353 81 V CA 0.074 62.395 62.300 0.035 0.000 1.232 81 V CB -1.050 30.801 31.823 0.047 0.000 1.278 81 V HN 0.474 nan 8.190 nan 0.000 0.546 82 T N -0.789 113.774 114.554 0.017 0.000 2.951 82 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 82 T C 1.860 176.568 174.700 0.013 0.000 1.073 82 T CA 1.313 63.419 62.100 0.010 0.000 1.134 82 T CB -0.248 68.629 68.868 0.014 0.000 0.884 82 T HN 0.616 nan 8.240 nan 0.000 0.479 83 K N 1.935 122.345 120.400 0.017 0.000 2.026 83 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 83 K C 2.226 178.830 176.600 0.008 0.000 1.048 83 K CA 1.640 57.936 56.287 0.015 0.000 0.929 83 K CB -0.806 31.707 32.500 0.023 0.000 0.713 83 K HN 0.343 nan 8.250 nan 0.000 0.439 84 Q N 0.941 120.746 119.800 0.008 0.000 2.170 84 Q HA -0.040 4.300 4.340 -0.000 0.000 0.203 84 Q C 2.096 178.086 176.000 -0.017 0.000 0.976 84 Q CA 0.992 56.785 55.803 -0.016 0.000 0.858 84 Q CB -0.420 28.314 28.738 -0.007 0.000 0.907 84 Q HN 0.357 nan 8.270 nan 0.000 0.433 85 L N 0.378 121.599 121.223 -0.004 0.000 2.042 85 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 85 L C 1.459 178.338 176.870 0.015 0.000 1.076 85 L CA 2.146 56.988 54.840 0.003 0.000 0.749 85 L CB -0.879 41.177 42.059 -0.004 0.000 0.893 85 L HN 0.257 nan 8.230 nan 0.000 0.432 86 N N -1.394 117.311 118.700 0.008 0.000 2.244 86 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 86 N C 1.720 177.209 175.510 -0.035 0.000 1.016 86 N CA 1.312 54.358 53.050 -0.006 0.000 0.866 86 N CB -0.000 38.481 38.487 -0.009 0.000 0.980 86 N HN 0.269 nan 8.380 nan 0.000 0.430 87 V N 0.942 120.841 119.914 -0.024 0.000 2.261 87 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 87 V C 2.029 178.153 176.094 0.050 0.000 1.047 87 V CA 1.497 63.788 62.300 -0.016 0.000 1.015 87 V CB -0.564 31.290 31.823 0.051 0.000 0.642 87 V HN 0.310 nan 8.190 nan 0.000 0.446 88 I N -0.357 120.248 120.570 0.058 0.000 2.163 88 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 88 I C 2.683 178.840 176.117 0.066 0.000 1.085 88 I CA 1.812 63.159 61.300 0.079 0.000 1.347 88 I CB -0.492 37.525 38.000 0.028 0.000 1.044 88 I HN 0.281 nan 8.210 nan 0.000 0.408 89 K N 0.994 121.415 120.400 0.035 0.000 2.020 89 K HA -0.280 4.040 4.320 -0.000 0.000 0.212 89 K C 2.387 178.987 176.600 0.000 0.000 1.050 89 K CA 1.833 58.140 56.287 0.033 0.000 0.929 89 K CB -0.244 32.270 32.500 0.025 0.000 0.714 89 K HN 0.211 nan 8.250 nan 0.000 0.443 90 R N -0.109 120.336 120.500 -0.093 0.000 2.097 90 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 90 R C 2.243 178.407 176.300 -0.227 0.000 1.135 90 R CA 2.079 58.043 56.100 -0.227 0.000 0.934 90 R CB -0.527 29.516 30.300 -0.429 0.000 0.846 90 R HN 0.153 nan 8.270 nan 0.000 0.431 91 F N 0.678 120.569 119.950 -0.098 0.000 2.365 91 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 91 F C 2.113 177.869 175.800 -0.073 0.000 1.090 91 F CA 0.366 58.303 58.000 -0.104 0.000 1.408 91 F CB -0.356 38.562 39.000 -0.136 0.000 1.060 91 F HN 0.094 nan 8.300 nan 0.000 0.534 92 L N -0.696 120.590 121.223 0.104 0.000 2.083 92 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 92 L C 2.036 178.850 176.870 -0.093 0.000 1.083 92 L CA 2.042 56.887 54.840 0.009 0.000 0.752 92 L CB -1.053 41.017 42.059 0.018 0.000 0.899 92 L HN 0.143 nan 8.230 nan 0.000 0.433 93 H N -2.005 117.064 119.070 -0.002 0.000 2.563 93 H HA 0.080 4.636 4.556 -0.000 0.000 0.264 93 H C 1.963 177.284 175.328 -0.010 0.000 0.957 93 H CA 0.393 56.434 56.048 -0.013 0.000 1.173 93 H CB 0.509 30.254 29.762 -0.028 0.000 1.420 93 H HN 0.352 nan 8.280 nan 0.000 0.551 94 E N 0.238 120.474 120.200 0.060 0.000 2.152 94 E HA 0.051 4.401 4.350 -0.000 0.000 0.192 94 E C 0.732 177.360 176.600 0.046 0.000 0.983 94 E CA 0.337 56.766 56.400 0.048 0.000 0.818 94 E CB 0.229 29.960 29.700 0.052 0.000 0.758 94 E HN 0.367 nan 8.360 nan 0.000 0.467 95 A N 0.215 123.054 122.820 0.031 0.000 2.332 95 A HA 0.200 4.520 4.320 -0.000 0.000 0.258 95 A C 0.912 178.473 177.584 -0.039 0.000 1.087 95 A CA -0.130 51.907 52.037 0.000 0.000 0.802 95 A CB 0.910 19.901 19.000 -0.014 0.000 1.042 95 A HN 0.111 nan 8.150 nan 0.000 0.489 96 S N -0.060 115.621 115.700 -0.032 0.000 2.566 96 S HA 0.106 4.576 4.470 -0.000 0.000 0.234 96 S C 0.149 174.718 174.600 -0.052 0.000 1.075 96 S CA 0.538 58.715 58.200 -0.037 0.000 0.926 96 S CB -0.021 63.169 63.200 -0.016 0.000 0.811 96 S HN 0.828 nan 8.310 nan 0.000 0.518 97 E N 0.969 121.136 120.200 -0.055 0.000 2.210 97 E HA 0.650 5.000 4.350 -0.000 0.000 0.266 97 E C -1.476 175.059 176.600 -0.108 0.000 0.883 97 E CA -0.556 55.800 56.400 -0.073 0.000 0.761 97 E CB 1.756 31.416 29.700 -0.066 0.000 1.156 97 E HN 0.131 nan 8.360 nan 0.000 0.412 98 I N 2.027 122.530 120.570 -0.113 0.000 2.460 98 I HA 0.294 4.464 4.170 -0.000 0.000 0.298 98 I C -0.732 175.277 176.117 -0.180 0.000 0.989 98 I CA -1.184 60.033 61.300 -0.137 0.000 1.173 98 I CB 1.989 39.934 38.000 -0.092 0.000 1.338 98 I HN 0.338 nan 8.210 nan 0.000 0.456 99 V N 4.764 124.510 119.914 -0.279 0.000 2.350 99 V HA 0.203 4.323 4.120 -0.000 0.000 0.285 99 V C -0.242 175.783 176.094 -0.114 0.000 1.014 99 V CA -0.720 61.394 62.300 -0.311 0.000 0.831 99 V CB 1.096 32.439 31.823 -0.800 0.000 1.000 99 V HN 0.596 nan 8.190 nan 0.000 0.433 100 H N 5.049 124.040 119.070 -0.133 0.000 2.944 100 H HA 0.450 5.006 4.556 -0.000 0.000 0.278 100 H C 0.236 175.520 175.328 -0.074 0.000 1.083 100 H CA -0.136 55.859 56.048 -0.088 0.000 1.479 100 H CB 1.264 30.972 29.762 -0.089 0.000 1.486 100 H HN 0.690 nan 8.280 nan 0.000 0.493 101 A N 5.155 128.135 122.820 0.268 0.000 2.985 101 A HA 0.427 4.747 4.320 -0.000 0.000 0.303 101 A C 1.006 178.697 177.584 0.179 0.000 1.048 101 A CA -0.045 52.117 52.037 0.207 0.000 1.016 101 A CB -0.284 18.862 19.000 0.244 0.000 1.118 101 A HN 0.777 nan 8.150 nan 0.000 0.529 102 G N -0.559 108.425 108.800 0.306 0.000 2.580 102 G HA2 0.424 4.384 3.960 -0.000 0.000 0.278 102 G HA3 0.424 4.384 3.960 -0.000 0.000 0.278 102 G C -0.493 174.420 174.900 0.022 0.000 1.212 102 G CA -0.396 44.804 45.100 0.167 0.000 0.939 102 G HN 0.319 nan 8.290 nan 0.000 0.513 103 D N 0.147 120.531 120.400 -0.027 0.000 2.406 103 D HA 0.087 4.727 4.640 -0.000 0.000 0.234 103 D C -1.522 174.600 176.300 -0.296 0.000 1.196 103 D CA -0.470 53.422 54.000 -0.180 0.000 0.881 103 D CB 0.952 41.689 40.800 -0.105 0.000 1.205 103 D HN 0.087 nan 8.370 nan 0.000 0.453 104 P HA 0.115 nan 4.420 nan 0.000 0.236 104 P C -1.000 176.139 177.300 -0.268 0.000 1.709 104 P CA -0.084 62.782 63.100 -0.389 0.000 0.942 104 P CB 0.097 31.560 31.700 -0.395 0.000 1.615 105 D N -1.663 118.600 120.400 -0.228 0.000 2.904 105 D HA 0.278 4.918 4.640 -0.000 0.000 0.290 105 D C 1.229 177.516 176.300 -0.021 0.000 1.180 105 D CA -0.798 53.137 54.000 -0.109 0.000 1.065 105 D CB 0.506 41.181 40.800 -0.209 0.000 1.386 105 D HN -0.335 nan 8.370 nan 0.000 0.599 106 R N -0.067 120.445 120.500 0.020 0.000 2.057 106 R HA 0.048 4.388 4.340 -0.000 0.000 0.229 106 R C 1.867 178.187 176.300 0.034 0.000 1.136 106 R CA 1.494 57.616 56.100 0.036 0.000 0.952 106 R CB -0.632 29.690 30.300 0.037 0.000 0.848 106 R HN 0.464 nan 8.270 nan 0.000 0.430 107 E N 0.297 120.516 120.200 0.031 0.000 2.065 107 E HA -0.196 4.154 4.350 -0.000 0.000 0.201 107 E C 2.095 178.715 176.600 0.033 0.000 1.016 107 E CA 1.686 58.113 56.400 0.045 0.000 0.818 107 E CB -0.750 28.976 29.700 0.042 0.000 0.749 107 E HN 0.526 nan 8.360 nan 0.000 0.453 108 G N 0.023 108.831 108.800 0.014 0.000 2.484 108 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 108 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 108 G C 1.596 176.557 174.900 0.101 0.000 1.130 108 G CA 0.643 45.757 45.100 0.023 0.000 0.784 108 G HN 0.147 nan 8.290 nan 0.000 0.543 109 Q N -0.182 119.654 119.800 0.060 0.000 2.046 109 Q HA 0.016 4.356 4.340 -0.000 0.000 0.200 109 Q C 2.308 178.442 176.000 0.223 0.000 0.975 109 Q CA 0.962 56.824 55.803 0.097 0.000 0.836 109 Q CB -0.466 28.282 28.738 0.017 0.000 0.896 109 Q HN 0.345 nan 8.270 nan 0.000 0.428 110 L N -0.323 120.970 121.223 0.117 0.000 2.027 110 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 110 L C 2.042 178.954 176.870 0.069 0.000 1.074 110 L CA 1.392 56.290 54.840 0.098 0.000 0.745 110 L CB -0.983 41.130 42.059 0.091 0.000 0.898 110 L HN 0.417 nan 8.230 nan 0.000 0.433 111 L N -1.108 120.130 121.223 0.025 0.000 1.965 111 L HA -0.301 4.039 4.340 -0.000 0.000 0.226 111 L C 2.410 179.225 176.870 -0.091 0.000 1.083 111 L CA 2.382 57.181 54.840 -0.068 0.000 0.790 111 L CB -0.755 41.230 42.059 -0.123 0.000 0.898 111 L HN 0.141 nan 8.230 nan 0.000 0.439 112 V N -0.740 119.055 119.914 -0.199 0.000 2.427 112 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 112 V C 2.259 178.199 176.094 -0.256 0.000 1.051 112 V CA 1.774 63.844 62.300 -0.382 0.000 1.048 112 V CB -0.808 30.428 31.823 -0.977 0.000 0.666 112 V HN 0.491 nan 8.190 nan 0.000 0.456 113 D N 0.488 120.823 120.400 -0.108 0.000 2.092 113 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 113 D C 2.256 178.570 176.300 0.024 0.000 0.994 113 D CA 1.902 55.916 54.000 0.023 0.000 0.828 113 D CB -0.228 40.645 40.800 0.123 0.000 0.963 113 D HN 0.780 nan 8.370 nan 0.000 0.450 114 E N 0.761 120.982 120.200 0.035 0.000 2.130 114 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 114 E C 2.209 178.849 176.600 0.066 0.000 0.998 114 E CA 1.213 57.646 56.400 0.054 0.000 0.806 114 E CB -0.460 29.275 29.700 0.058 0.000 0.738 114 E HN 0.060 nan 8.360 nan 0.000 0.459 115 V N 1.641 121.571 119.914 0.027 0.000 2.255 115 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 115 V C 2.602 178.744 176.094 0.080 0.000 1.051 115 V CA 1.944 64.269 62.300 0.042 0.000 1.018 115 V CB -0.538 31.281 31.823 -0.007 0.000 0.641 115 V HN 0.304 nan 8.190 nan 0.000 0.445 116 L N 0.313 121.554 121.223 0.031 0.000 2.079 116 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 116 L C 2.344 179.249 176.870 0.059 0.000 1.081 116 L CA 2.227 57.086 54.840 0.033 0.000 0.752 116 L CB -0.590 41.470 42.059 0.002 0.000 0.896 116 L HN 0.571 nan 8.230 nan 0.000 0.433 117 D N -1.264 119.181 120.400 0.075 0.000 2.137 117 D HA -0.282 4.358 4.640 -0.000 0.000 0.202 117 D C 2.154 178.516 176.300 0.102 0.000 0.970 117 D CA 0.871 54.915 54.000 0.074 0.000 0.837 117 D CB -0.214 40.625 40.800 0.065 0.000 0.981 117 D HN 0.328 nan 8.370 nan 0.000 0.475 118 Y N 0.701 121.009 120.300 0.014 0.000 2.293 118 Y HA 0.101 4.651 4.550 -0.000 0.000 0.291 118 Y C 1.587 177.496 175.900 0.016 0.000 1.137 118 Y CA 1.202 59.311 58.100 0.016 0.000 1.202 118 Y CB 0.009 38.480 38.460 0.018 0.000 0.990 118 Y HN 0.017 nan 8.280 nan 0.000 0.537 119 L N 0.786 122.111 121.223 0.169 0.000 2.599 119 L HA -0.044 4.296 4.340 -0.000 0.000 0.230 119 L C 0.308 177.195 176.870 0.029 0.000 1.141 119 L CA 0.439 55.331 54.840 0.087 0.000 0.877 119 L CB -0.586 41.549 42.059 0.126 0.000 1.009 119 L HN 0.251 nan 8.230 nan 0.000 0.447 120 Q N 0.880 120.685 119.800 0.008 0.000 2.447 120 Q HA -0.209 4.131 4.340 -0.000 0.000 0.348 120 Q C -0.250 175.780 176.000 0.051 0.000 1.421 120 Q CA 0.275 56.083 55.803 0.008 0.000 0.978 120 Q CB -1.254 27.465 28.738 -0.032 0.000 1.191 120 Q HN 0.265 nan 8.270 nan 0.000 0.371 121 L N 0.783 122.034 121.223 0.047 0.000 2.462 121 L HA 0.235 4.575 4.340 -0.000 0.000 0.272 121 L C 0.679 177.571 176.870 0.038 0.000 1.166 121 L CA 1.155 56.017 54.840 0.038 0.000 0.880 121 L CB 0.603 42.661 42.059 -0.002 0.000 1.142 121 L HN 0.418 nan 8.230 nan 0.000 0.473 122 A N 7.046 129.902 122.820 0.061 0.000 2.586 122 A HA 0.152 4.471 4.320 -0.000 0.000 0.231 122 A C -1.432 176.163 177.584 0.019 0.000 1.055 122 A CA -0.445 51.620 52.037 0.047 0.000 0.756 122 A CB -0.588 18.452 19.000 0.067 0.000 0.988 122 A HN 0.808 nan 8.150 nan 0.000 0.509 123 P HA -0.222 nan 4.420 nan 0.000 0.215 123 P C 1.474 178.778 177.300 0.006 0.000 1.157 123 P CA 1.571 64.677 63.100 0.010 0.000 0.874 123 P CB 0.069 31.775 31.700 0.009 0.000 0.790 124 E N 0.197 120.401 120.200 0.006 0.000 2.097 124 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 124 E C 1.576 178.171 176.600 -0.008 0.000 1.000 124 E CA 1.427 57.827 56.400 0.001 0.000 0.804 124 E CB -0.144 29.558 29.700 0.005 0.000 0.740 124 E HN 0.223 nan 8.360 nan 0.000 0.454 125 K N -0.176 120.213 120.400 -0.018 0.000 2.361 125 K HA 0.009 4.329 4.320 -0.000 0.000 0.196 125 K C 2.160 178.743 176.600 -0.028 0.000 1.039 125 K CA 0.022 56.287 56.287 -0.037 0.000 1.001 125 K CB 0.090 32.543 32.500 -0.078 0.000 0.795 125 K HN 0.017 nan 8.250 nan 0.000 0.495 126 R N 0.719 121.212 120.500 -0.012 0.000 2.240 126 R HA -0.001 4.339 4.340 -0.000 0.000 0.203 126 R C 1.240 177.546 176.300 0.009 0.000 1.011 126 R CA 0.669 56.769 56.100 0.000 0.000 1.007 126 R CB 0.417 30.722 30.300 0.008 0.000 0.911 126 R HN 0.114 nan 8.270 nan 0.000 0.468 127 Q N -0.725 119.078 119.800 0.005 0.000 2.247 127 Q HA 0.072 4.412 4.340 -0.000 0.000 0.211 127 Q C 0.734 176.738 176.000 0.006 0.000 0.861 127 Q CA 0.283 56.091 55.803 0.009 0.000 0.949 127 Q CB 1.265 30.006 28.738 0.007 0.000 1.115 127 Q HN 0.277 nan 8.270 nan 0.000 0.507 128 Q N -0.071 119.727 119.800 -0.002 0.000 2.282 128 Q HA 0.148 4.488 4.340 -0.000 0.000 0.206 128 Q C 0.418 176.409 176.000 -0.014 0.000 0.878 128 Q CA -0.108 55.690 55.803 -0.008 0.000 0.944 128 Q CB 0.990 29.718 28.738 -0.016 0.000 1.100 128 Q HN 0.038 nan 8.270 nan 0.000 0.509 129 V N 1.554 121.464 119.914 -0.006 0.000 2.614 129 V HA 0.058 4.178 4.120 -0.000 0.000 0.291 129 V C -0.347 175.751 176.094 0.008 0.000 1.049 129 V CA 0.211 62.506 62.300 -0.008 0.000 1.038 129 V CB 1.308 33.136 31.823 0.008 0.000 0.980 129 V HN 0.214 nan 8.190 nan 0.000 0.481 130 Q N 3.515 123.305 119.800 -0.016 0.000 2.359 130 Q HA 0.632 4.972 4.340 -0.000 0.000 0.275 130 Q C -0.923 175.067 176.000 -0.018 0.000 1.082 130 Q CA -0.803 54.996 55.803 -0.007 0.000 0.849 130 Q CB 1.842 30.557 28.738 -0.037 0.000 1.377 130 Q HN 0.738 nan 8.270 nan 0.000 0.452 131 R N 0.252 120.743 120.500 -0.016 0.000 2.393 131 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 131 R C -1.746 174.505 176.300 -0.082 0.000 0.968 131 R CA -0.385 55.632 56.100 -0.139 0.000 0.867 131 R CB 1.210 31.301 30.300 -0.349 0.000 1.124 131 R HN 0.672 nan 8.270 nan 0.000 0.450 132 C N 7.080 126.330 119.300 -0.083 0.000 2.322 132 C HA 0.562 5.022 4.460 -0.000 0.000 0.324 132 C C -1.117 173.847 174.990 -0.044 0.000 1.249 132 C CA -0.868 58.157 59.018 0.012 0.000 1.453 132 C CB -0.502 27.326 27.740 0.147 0.000 2.145 132 C HN 0.797 nan 8.230 nan 0.000 0.466 133 L N 7.465 128.664 121.223 -0.040 0.000 2.277 133 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 133 L C -0.245 176.625 176.870 0.001 0.000 1.028 133 L CA -0.251 54.549 54.840 -0.067 0.000 0.835 133 L CB 0.840 42.860 42.059 -0.064 0.000 1.215 133 L HN 0.568 nan 8.230 nan 0.000 0.425 134 I N 3.355 123.924 120.570 -0.003 0.000 2.331 134 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 134 I C 0.956 177.115 176.117 0.070 0.000 0.998 134 I CA 0.178 61.511 61.300 0.054 0.000 1.267 134 I CB 1.178 39.212 38.000 0.057 0.000 1.386 134 I HN 0.621 nan 8.210 nan 0.000 0.476 135 N N 2.908 121.695 118.700 0.145 0.000 2.257 135 N HA 0.059 4.799 4.740 -0.000 0.000 0.200 135 N C -0.525 175.204 175.510 0.366 0.000 1.163 135 N CA 0.191 53.351 53.050 0.184 0.000 0.891 135 N CB 0.885 39.452 38.487 0.132 0.000 1.067 135 N HN 0.561 nan 8.380 nan 0.000 0.497 136 D N 0.426 121.010 120.400 0.306 0.000 2.646 136 D HA 0.269 4.909 4.640 -0.000 0.000 0.245 136 D C 0.302 176.680 176.300 0.130 0.000 1.099 136 D CA -0.447 53.719 54.000 0.277 0.000 0.849 136 D CB 2.118 43.052 40.800 0.223 0.000 1.448 136 D HN -0.102 nan 8.370 nan 0.000 0.489 137 L N 2.308 123.540 121.223 0.016 0.000 2.607 137 L HA 0.189 4.529 4.340 -0.000 0.000 0.228 137 L C 0.913 177.745 176.870 -0.062 0.000 1.123 137 L CA -0.234 54.544 54.840 -0.104 0.000 0.890 137 L CB -0.149 41.726 42.059 -0.306 0.000 1.103 137 L HN 0.234 nan 8.230 nan 0.000 0.468 138 N N 1.304 119.998 118.700 -0.010 0.000 2.454 138 N HA 0.010 4.750 4.740 -0.000 0.000 0.254 138 N C -1.673 173.833 175.510 -0.007 0.000 1.228 138 N CA -0.836 52.211 53.050 -0.005 0.000 0.900 138 N CB 0.975 39.474 38.487 0.020 0.000 1.089 138 N HN -0.163 nan 8.380 nan 0.000 0.449 139 P HA -0.183 nan 4.420 nan 0.000 0.216 139 P C 0.988 178.285 177.300 -0.004 0.000 1.154 139 P CA 1.660 64.750 63.100 -0.017 0.000 0.865 139 P CB 0.327 32.019 31.700 -0.014 0.000 0.789 140 Q N -0.369 119.435 119.800 0.006 0.000 2.030 140 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 140 Q C 2.326 178.340 176.000 0.023 0.000 0.986 140 Q CA 2.202 58.013 55.803 0.013 0.000 0.843 140 Q CB -1.649 27.097 28.738 0.014 0.000 0.904 140 Q HN 0.201 nan 8.270 nan 0.000 0.420 141 A N 0.127 122.965 122.820 0.031 0.000 1.933 141 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 141 A C 2.330 179.944 177.584 0.050 0.000 1.175 141 A CA 1.627 53.696 52.037 0.053 0.000 0.628 141 A CB -0.775 18.270 19.000 0.073 0.000 0.814 141 A HN 0.229 nan 8.150 nan 0.000 0.444 142 V N 0.026 119.955 119.914 0.025 0.000 2.358 142 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 142 V C 2.327 178.426 176.094 0.008 0.000 1.047 142 V CA 2.094 64.397 62.300 0.006 0.000 1.035 142 V CB -1.001 30.801 31.823 -0.035 0.000 0.658 142 V HN 0.598 nan 8.190 nan 0.000 0.452 143 E N 0.233 120.438 120.200 0.008 0.000 2.038 143 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 143 E C 2.444 179.066 176.600 0.037 0.000 1.000 143 E CA 1.695 58.104 56.400 0.016 0.000 0.803 143 E CB -0.235 29.474 29.700 0.014 0.000 0.750 143 E HN 0.460 nan 8.360 nan 0.000 0.448 144 R N 0.584 121.109 120.500 0.043 0.000 2.097 144 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 144 R C 2.372 178.715 176.300 0.071 0.000 1.135 144 R CA 1.608 57.742 56.100 0.057 0.000 0.934 144 R CB -0.373 29.963 30.300 0.060 0.000 0.846 144 R HN 0.165 nan 8.270 nan 0.000 0.431 145 A N 1.136 124.002 122.820 0.075 0.000 1.903 145 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 145 A C 2.191 179.834 177.584 0.098 0.000 1.191 145 A CA 2.104 54.192 52.037 0.086 0.000 0.638 145 A CB -0.793 18.254 19.000 0.078 0.000 0.823 145 A HN 0.454 nan 8.150 nan 0.000 0.451 146 I N -0.404 120.226 120.570 0.101 0.000 2.361 146 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 146 I C 1.580 177.772 176.117 0.124 0.000 1.133 146 I CA 1.431 62.820 61.300 0.149 0.000 1.413 146 I CB -0.526 37.552 38.000 0.131 0.000 1.073 146 I HN 0.216 nan 8.210 nan 0.000 0.424 147 D N 1.107 121.561 120.400 0.090 0.000 2.224 147 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 147 D C 0.972 177.316 176.300 0.072 0.000 0.965 147 D CA 0.823 54.868 54.000 0.076 0.000 0.852 147 D CB -0.002 40.835 40.800 0.062 0.000 0.947 147 D HN 0.369 nan 8.370 nan 0.000 0.494 148 R N 1.184 121.731 120.500 0.078 0.000 2.937 148 R HA 0.322 4.662 4.340 -0.000 0.000 0.264 148 R C -0.616 175.733 176.300 0.081 0.000 1.334 148 R CA -0.303 55.843 56.100 0.076 0.000 1.516 148 R CB 0.008 30.356 30.300 0.080 0.000 1.187 148 R HN 0.057 nan 8.270 nan 0.000 0.609 149 L N 3.454 124.721 121.223 0.072 0.000 2.281 149 L HA 0.398 4.738 4.340 -0.000 0.000 0.285 149 L C 0.675 177.591 176.870 0.076 0.000 1.074 149 L CA -0.605 54.274 54.840 0.066 0.000 0.817 149 L CB 0.773 42.856 42.059 0.041 0.000 1.168 149 L HN 0.249 nan 8.230 nan 0.000 0.434 150 R N 1.823 122.392 120.500 0.114 0.000 2.543 150 R HA 0.384 4.724 4.340 -0.000 0.000 0.268 150 R C -0.166 176.233 176.300 0.165 0.000 1.067 150 R CA -0.694 55.507 56.100 0.169 0.000 1.142 150 R CB 1.080 31.576 30.300 0.326 0.000 1.110 150 R HN 0.494 nan 8.270 nan 0.000 0.549 151 S N 1.259 117.038 115.700 0.133 0.000 2.576 151 S HA -0.027 4.443 4.470 -0.000 0.000 0.276 151 S C 1.285 176.011 174.600 0.209 0.000 1.339 151 S CA -0.393 57.872 58.200 0.108 0.000 1.039 151 S CB 0.773 64.001 63.200 0.048 0.000 0.902 151 S HN 0.560 nan 8.310 nan 0.000 0.516 152 N N 2.413 121.209 118.700 0.160 0.000 2.142 152 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 152 N C 1.907 177.555 175.510 0.229 0.000 1.023 152 N CA 1.729 54.906 53.050 0.211 0.000 0.852 152 N CB -0.343 38.212 38.487 0.113 0.000 0.998 152 N HN 0.624 nan 8.380 nan 0.000 0.424 153 S N 0.157 115.922 115.700 0.108 0.000 2.399 153 S HA -0.285 4.185 4.470 -0.000 0.000 0.235 153 S C 1.736 176.329 174.600 -0.012 0.000 1.063 153 S CA 1.560 59.788 58.200 0.046 0.000 1.070 153 S CB -0.848 62.361 63.200 0.015 0.000 0.904 153 S HN 0.452 nan 8.310 nan 0.000 0.456 154 E N 0.354 120.490 120.200 -0.106 0.000 2.331 154 E HA -0.041 4.309 4.350 -0.000 0.000 0.199 154 E C 0.668 176.970 176.600 -0.498 0.000 1.008 154 E CA 1.019 57.210 56.400 -0.349 0.000 0.843 154 E CB -0.234 29.093 29.700 -0.623 0.000 0.761 154 E HN 0.788 nan 8.360 nan 0.000 0.507 155 F N -1.477 118.448 119.950 -0.042 0.000 2.664 155 F HA 0.073 4.600 4.527 -0.000 0.000 0.303 155 F C 1.571 177.353 175.800 -0.031 0.000 1.092 155 F CA -0.340 57.632 58.000 -0.048 0.000 1.305 155 F CB 0.205 39.151 39.000 -0.091 0.000 1.054 155 F HN -0.138 nan 8.300 nan 0.000 0.565 156 V N 1.621 121.585 119.914 0.083 0.000 2.222 156 V HA -0.315 3.805 4.120 -0.000 0.000 0.252 156 V C -0.024 176.097 176.094 0.045 0.000 1.060 156 V CA 2.265 64.598 62.300 0.055 0.000 1.027 156 V CB -1.866 29.971 31.823 0.023 0.000 0.644 156 V HN 0.192 nan 8.190 nan 0.000 0.448 157 P HA -0.197 nan 4.420 nan 0.000 0.218 157 P C 1.903 179.223 177.300 0.033 0.000 1.154 157 P CA 1.625 64.737 63.100 0.020 0.000 0.872 157 P CB -0.157 31.544 31.700 0.001 0.000 0.790 158 L N -1.054 120.205 121.223 0.061 0.000 1.990 158 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 158 L C 2.917 179.820 176.870 0.055 0.000 1.072 158 L CA 1.978 56.860 54.840 0.070 0.000 0.755 158 L CB -1.511 40.618 42.059 0.117 0.000 0.889 158 L HN 0.168 nan 8.230 nan 0.000 0.432 159 C N -0.247 119.092 119.300 0.065 0.000 2.386 159 C HA -0.178 4.282 4.460 -0.000 0.000 0.279 159 C C 2.792 177.800 174.990 0.030 0.000 1.208 159 C CA 1.245 60.295 59.018 0.054 0.000 1.747 159 C CB -0.705 27.072 27.740 0.062 0.000 2.046 159 C HN 0.372 nan 8.230 nan 0.000 0.453 160 V N 1.106 121.034 119.914 0.024 0.000 2.317 160 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 160 V C 2.855 178.974 176.094 0.041 0.000 1.065 160 V CA 2.609 64.927 62.300 0.029 0.000 1.049 160 V CB -1.402 30.444 31.823 0.038 0.000 0.651 160 V HN 0.795 nan 8.190 nan 0.000 0.450 161 S N -0.141 115.564 115.700 0.008 0.000 2.359 161 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 161 S C 2.116 176.687 174.600 -0.048 0.000 1.035 161 S CA 1.879 60.053 58.200 -0.044 0.000 1.018 161 S CB -0.391 62.784 63.200 -0.042 0.000 0.876 161 S HN 0.656 nan 8.310 nan 0.000 0.448 162 A N 1.243 124.057 122.820 -0.010 0.000 1.898 162 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 162 A C 2.170 179.750 177.584 -0.007 0.000 1.181 162 A CA 1.614 53.651 52.037 -0.001 0.000 0.620 162 A CB -0.922 18.095 19.000 0.028 0.000 0.819 162 A HN 0.579 nan 8.150 nan 0.000 0.442 163 L N -0.042 121.179 121.223 -0.004 0.000 2.046 163 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 163 L C 2.619 179.475 176.870 -0.024 0.000 1.077 163 L CA 2.201 57.020 54.840 -0.035 0.000 0.747 163 L CB -0.949 41.077 42.059 -0.055 0.000 0.896 163 L HN 0.347 nan 8.230 nan 0.000 0.432 164 A N -0.218 122.644 122.820 0.070 0.000 1.908 164 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 164 A C 2.557 180.174 177.584 0.055 0.000 1.181 164 A CA 2.002 54.108 52.037 0.116 0.000 0.627 164 A CB -0.700 18.318 19.000 0.030 0.000 0.818 164 A HN 0.551 nan 8.150 nan 0.000 0.445 165 R N -0.450 120.031 120.500 -0.032 0.000 2.073 165 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 165 R C 2.336 178.641 176.300 0.009 0.000 1.134 165 R CA 1.608 57.697 56.100 -0.017 0.000 0.952 165 R CB -0.473 29.805 30.300 -0.037 0.000 0.850 165 R HN 0.425 nan 8.270 nan 0.000 0.433 166 A N 1.218 124.027 122.820 -0.018 0.000 1.858 166 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 166 A C 2.212 179.776 177.584 -0.034 0.000 1.190 166 A CA 1.637 53.660 52.037 -0.022 0.000 0.617 166 A CB -0.521 18.443 19.000 -0.060 0.000 0.827 166 A HN 0.402 nan 8.150 nan 0.000 0.443 167 R N -0.452 119.936 120.500 -0.186 0.000 2.081 167 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 167 R C 2.497 178.799 176.300 0.004 0.000 1.131 167 R CA 1.182 57.076 56.100 -0.343 0.000 0.960 167 R CB -0.581 29.190 30.300 -0.883 0.000 0.856 167 R HN 0.513 nan 8.270 nan 0.000 0.436 168 A N 1.871 124.699 122.820 0.014 0.000 1.892 168 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 168 A C 1.602 179.212 177.584 0.042 0.000 1.188 168 A CA 2.066 54.095 52.037 -0.013 0.000 0.631 168 A CB -0.562 18.468 19.000 0.051 0.000 0.822 168 A HN 0.184 nan 8.150 nan 0.000 0.447 169 D N -1.611 118.843 120.400 0.090 0.000 2.106 169 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 169 D C 1.554 177.986 176.300 0.220 0.000 0.997 169 D CA 1.414 55.495 54.000 0.136 0.000 0.834 169 D CB -0.487 40.385 40.800 0.120 0.000 0.956 169 D HN 0.734 nan 8.370 nan 0.000 0.448 170 W N 1.245 122.590 121.300 0.075 0.000 2.332 170 W HA -0.158 4.502 4.660 -0.000 0.000 0.321 170 W C 2.231 178.800 176.519 0.084 0.000 1.219 170 W CA 1.307 58.722 57.345 0.117 0.000 1.277 170 W CB -0.518 29.076 29.460 0.223 0.000 1.161 170 W HN -0.067 nan 8.180 nan 0.000 0.476 171 L N -0.710 120.795 121.223 0.470 0.000 1.990 171 L HA -0.318 4.022 4.340 -0.000 0.000 0.213 171 L C 2.466 179.305 176.870 -0.051 0.000 1.072 171 L CA 2.115 57.072 54.840 0.194 0.000 0.755 171 L CB -1.385 40.790 42.059 0.194 0.000 0.889 171 L HN 0.147 nan 8.230 nan 0.000 0.432 172 Y N 0.419 120.648 120.300 -0.119 0.000 2.114 172 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 172 Y C 2.342 178.163 175.900 -0.132 0.000 1.143 172 Y CA 1.721 59.744 58.100 -0.129 0.000 1.135 172 Y CB -0.756 37.645 38.460 -0.099 0.000 0.980 172 Y HN 0.089 nan 8.280 nan 0.000 0.499 173 G N 1.064 109.875 108.800 0.018 0.000 2.514 173 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 173 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 173 G C 1.539 176.256 174.900 -0.306 0.000 1.198 173 G CA 1.447 46.498 45.100 -0.083 0.000 0.780 173 G HN 0.370 nan 8.290 nan 0.000 0.565 174 I N 1.690 121.961 120.570 -0.498 0.000 2.058 174 I HA -0.156 4.014 4.170 -0.000 0.000 0.235 174 I C 2.537 178.296 176.117 -0.597 0.000 1.053 174 I CA 1.065 61.979 61.300 -0.643 0.000 1.313 174 I CB -1.431 35.924 38.000 -1.076 0.000 1.039 174 I HN 0.153 nan 8.210 nan 0.000 0.396 175 N N 0.579 118.927 118.700 -0.587 0.000 2.061 175 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 175 N C 1.692 176.869 175.510 -0.556 0.000 1.030 175 N CA 1.503 54.229 53.050 -0.540 0.000 0.856 175 N CB -0.212 37.995 38.487 -0.467 0.000 1.023 175 N HN 0.294 nan 8.380 nan 0.000 0.424 176 M N 0.325 119.565 119.600 -0.600 0.000 2.349 176 M HA -0.007 4.473 4.480 -0.000 0.000 0.266 176 M C 2.181 178.224 176.300 -0.428 0.000 1.076 176 M CA 0.987 55.898 55.300 -0.648 0.000 1.126 176 M CB -1.564 30.523 32.600 -0.855 0.000 1.392 176 M HN 0.242 nan 8.290 nan 0.000 0.440 177 T N -1.843 112.512 114.554 -0.333 0.000 2.857 177 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 177 T C 2.078 176.576 174.700 -0.336 0.000 1.048 177 T CA 0.748 62.735 62.100 -0.188 0.000 1.139 177 T CB -0.108 68.694 68.868 -0.111 0.000 0.874 177 T HN 0.295 nan 8.240 nan 0.000 0.455 178 R N 1.125 121.236 120.500 -0.649 0.000 2.075 178 R HA 0.112 4.452 4.340 -0.000 0.000 0.230 178 R C 3.072 179.111 176.300 -0.436 0.000 1.140 178 R CA 1.380 56.943 56.100 -0.895 0.000 0.928 178 R CB -0.958 28.731 30.300 -1.019 0.000 0.834 178 R HN 0.494 nan 8.270 nan 0.000 0.429 179 A N 0.738 123.294 122.820 -0.440 0.000 1.894 179 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 179 A C 1.998 179.422 177.584 -0.267 0.000 1.237 179 A CA 1.948 53.748 52.037 -0.395 0.000 0.660 179 A CB -1.122 17.520 19.000 -0.597 0.000 0.835 179 A HN 0.429 nan 8.150 nan 0.000 0.461 180 Y N 0.316 120.537 120.300 -0.131 0.000 2.439 180 Y HA -0.051 4.499 4.550 -0.000 0.000 0.292 180 Y C 2.873 178.763 175.900 -0.017 0.000 1.130 180 Y CA 1.201 59.260 58.100 -0.069 0.000 1.254 180 Y CB -1.051 37.367 38.460 -0.069 0.000 1.000 180 Y HN 0.309 nan 8.280 nan 0.000 0.554 181 T N 0.192 114.828 114.554 0.136 0.000 2.770 181 T HA -0.065 4.285 4.350 -0.000 0.000 0.258 181 T C 2.078 176.883 174.700 0.175 0.000 1.039 181 T CA 1.218 63.437 62.100 0.199 0.000 1.143 181 T CB -0.413 68.680 68.868 0.377 0.000 0.866 181 T HN 0.135 nan 8.240 nan 0.000 0.428 182 I N 1.194 121.855 120.570 0.152 0.000 2.068 182 I HA -0.235 3.935 4.170 -0.000 0.000 0.238 182 I C 2.354 178.519 176.117 0.079 0.000 1.046 182 I CA 1.583 62.956 61.300 0.122 0.000 1.306 182 I CB -0.571 37.472 38.000 0.072 0.000 1.023 182 I HN 0.171 nan 8.210 nan 0.000 0.399 183 L N 0.411 121.666 121.223 0.054 0.000 2.042 183 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 183 L C 1.734 178.647 176.870 0.071 0.000 1.076 183 L CA 1.021 55.895 54.840 0.056 0.000 0.749 183 L CB -1.188 40.901 42.059 0.050 0.000 0.893 183 L HN 0.342 nan 8.230 nan 0.000 0.432 192 V N 0.518 120.487 119.914 0.092 0.000 2.448 192 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 192 V C -0.562 175.622 176.094 0.150 0.000 1.025 192 V CA -0.668 61.733 62.300 0.168 0.000 0.859 192 V CB 1.474 33.423 31.823 0.210 0.000 0.988 192 V HN 0.634 nan 8.190 nan 0.000 0.431 193 L N 4.506 125.821 121.223 0.154 0.000 2.282 193 L HA 0.444 4.784 4.340 -0.000 0.000 0.287 193 L C 0.431 177.371 176.870 0.117 0.000 1.075 193 L CA 0.779 55.684 54.840 0.108 0.000 0.839 193 L CB 1.003 43.117 42.059 0.092 0.000 1.219 193 L HN 0.676 nan 8.230 nan 0.000 0.434 194 S N 3.764 119.533 115.700 0.115 0.000 2.438 194 S HA 0.664 5.134 4.470 -0.000 0.000 0.293 194 S C -0.452 174.212 174.600 0.107 0.000 1.141 194 S CA -0.634 57.640 58.200 0.122 0.000 1.080 194 S CB 0.553 63.845 63.200 0.153 0.000 0.978 194 S HN 0.449 nan 8.310 nan 0.000 0.479 195 V N 2.345 122.330 119.914 0.119 0.000 2.769 195 V HA 1.054 5.173 4.120 -0.000 0.000 0.312 195 V C 0.370 176.601 176.094 0.228 0.000 1.058 195 V CA -0.764 61.638 62.300 0.170 0.000 0.952 195 V CB 1.424 33.389 31.823 0.237 0.000 1.019 195 V HN 0.811 nan 8.190 nan 0.000 0.445 196 G N 1.371 110.335 108.800 0.274 0.000 2.571 196 G HA2 0.512 4.472 3.960 -0.000 0.000 0.304 196 G HA3 0.512 4.472 3.960 -0.000 0.000 0.304 196 G C -0.021 175.009 174.900 0.217 0.000 1.314 196 G CA -0.794 44.462 45.100 0.261 0.000 0.975 196 G HN 0.916 nan 8.290 nan 0.000 0.485 197 R N 0.512 121.065 120.500 0.088 0.000 2.094 197 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 197 R C 1.967 178.203 176.300 -0.107 0.000 1.137 197 R CA 2.295 58.215 56.100 -0.300 0.000 0.943 197 R CB -0.148 30.036 30.300 -0.193 0.000 0.850 197 R HN 0.382 nan 8.270 nan 0.000 0.433 198 V N 0.103 120.013 119.914 -0.005 0.000 2.949 198 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 198 V C 1.884 177.984 176.094 0.010 0.000 1.086 198 V CA 1.058 63.362 62.300 0.007 0.000 1.097 198 V CB 0.203 32.038 31.823 0.020 0.000 0.762 198 V HN 0.419 nan 8.190 nan 0.000 0.470 199 Q N 0.032 119.855 119.800 0.038 0.000 2.245 199 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 199 Q C 1.991 178.017 176.000 0.043 0.000 0.955 199 Q CA 1.689 57.521 55.803 0.048 0.000 0.870 199 Q CB -0.705 28.086 28.738 0.088 0.000 0.945 199 Q HN 0.465 nan 8.270 nan 0.000 0.461 200 T N 2.486 117.074 114.554 0.056 0.000 2.668 200 T HA -0.071 4.279 4.350 -0.000 0.000 0.262 200 T C -0.869 173.845 174.700 0.024 0.000 1.045 200 T CA 1.456 63.586 62.100 0.051 0.000 1.152 200 T CB -1.050 67.883 68.868 0.108 0.000 0.864 200 T HN 0.299 nan 8.240 nan 0.000 0.419 201 P HA -0.005 nan 4.420 nan 0.000 0.216 201 P C 1.658 178.925 177.300 -0.054 0.000 1.150 201 P CA 0.765 63.860 63.100 -0.008 0.000 0.837 201 P CB -0.269 31.420 31.700 -0.019 0.000 0.786 202 V N 0.362 120.238 119.914 -0.063 0.000 2.295 202 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 202 V C 2.712 178.734 176.094 -0.120 0.000 1.049 202 V CA 1.793 64.026 62.300 -0.111 0.000 1.024 202 V CB -1.327 30.443 31.823 -0.088 0.000 0.648 202 V HN 0.033 nan 8.190 nan 0.000 0.447 203 L N 1.057 122.236 121.223 -0.073 0.000 2.042 203 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 203 L C 2.334 179.101 176.870 -0.171 0.000 1.076 203 L CA 2.502 57.285 54.840 -0.095 0.000 0.749 203 L CB -1.292 40.723 42.059 -0.074 0.000 0.893 203 L HN 0.275 nan 8.230 nan 0.000 0.432 204 G N 0.071 108.789 108.800 -0.136 0.000 2.553 204 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 204 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 204 G C 1.586 176.347 174.900 -0.232 0.000 1.195 204 G CA 1.431 46.408 45.100 -0.204 0.000 0.779 204 G HN 0.465 nan 8.290 nan 0.000 0.577 205 L N 0.017 121.156 121.223 -0.141 0.000 2.011 205 L HA -0.240 4.100 4.340 -0.000 0.000 0.225 205 L C 3.035 179.946 176.870 0.069 0.000 1.084 205 L CA 1.522 56.307 54.840 -0.093 0.000 0.791 205 L CB -0.783 41.086 42.059 -0.317 0.000 0.898 205 L HN 0.168 nan 8.230 nan 0.000 0.440 206 V N -1.071 118.832 119.914 -0.018 0.000 2.515 206 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 206 V C 2.285 178.375 176.094 -0.007 0.000 1.058 206 V CA 1.394 63.769 62.300 0.125 0.000 1.064 206 V CB -0.215 31.629 31.823 0.034 0.000 0.675 206 V HN 0.247 nan 8.190 nan 0.000 0.461 207 V N -0.186 119.570 119.914 -0.263 0.000 2.323 207 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 207 V C 2.530 178.423 176.094 -0.335 0.000 1.041 207 V CA 1.754 63.791 62.300 -0.438 0.000 1.025 207 V CB -0.773 30.465 31.823 -0.976 0.000 0.656 207 V HN 0.392 nan 8.190 nan 0.000 0.451 208 R N -0.044 120.257 120.500 -0.331 0.000 2.105 208 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 208 R C 2.510 178.810 176.300 -0.000 0.000 1.135 208 R CA 1.737 57.786 56.100 -0.086 0.000 0.967 208 R CB -0.356 29.948 30.300 0.006 0.000 0.861 208 R HN 0.328 nan 8.270 nan 0.000 0.442 209 R N 1.237 121.748 120.500 0.019 0.000 2.073 209 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 209 R C 1.257 177.542 176.300 -0.024 0.000 1.134 209 R CA 2.053 58.132 56.100 -0.035 0.000 0.952 209 R CB -0.450 29.773 30.300 -0.128 0.000 0.850 209 R HN 0.130 nan 8.270 nan 0.000 0.433 210 D N -0.011 120.428 120.400 0.065 0.000 2.117 210 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 210 D C 1.715 178.067 176.300 0.087 0.000 0.987 210 D CA 1.361 55.449 54.000 0.146 0.000 0.829 210 D CB -0.178 40.733 40.800 0.186 0.000 0.961 210 D HN 0.395 nan 8.370 nan 0.000 0.460 211 E N 0.409 120.647 120.200 0.064 0.000 2.072 211 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 211 E C 1.930 178.572 176.600 0.070 0.000 0.985 211 E CA 0.738 57.190 56.400 0.088 0.000 0.801 211 E CB 0.103 29.881 29.700 0.130 0.000 0.750 211 E HN 0.306 nan 8.360 nan 0.000 0.452 212 E N 0.136 120.362 120.200 0.044 0.000 2.038 212 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 212 E C 2.061 178.684 176.600 0.038 0.000 1.000 212 E CA 1.294 57.718 56.400 0.039 0.000 0.803 212 E CB -0.120 29.580 29.700 0.000 0.000 0.750 212 E HN 0.268 nan 8.360 nan 0.000 0.448 213 I N 0.862 121.402 120.570 -0.050 0.000 2.208 213 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 213 I C 2.415 178.547 176.117 0.025 0.000 1.097 213 I CA 1.227 62.468 61.300 -0.098 0.000 1.363 213 I CB -0.201 37.616 38.000 -0.305 0.000 1.051 213 I HN 0.132 nan 8.210 nan 0.000 0.413 214 E N 0.747 120.979 120.200 0.053 0.000 2.106 214 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 214 E C 1.278 177.928 176.600 0.083 0.000 0.984 214 E CA 0.889 57.333 56.400 0.073 0.000 0.806 214 E CB 0.095 29.839 29.700 0.073 0.000 0.750 214 E HN 0.474 nan 8.360 nan 0.000 0.458 215 N N -0.057 118.697 118.700 0.091 0.000 2.383 215 N HA -0.035 4.705 4.740 -0.000 0.000 0.192 215 N C -0.500 175.056 175.510 0.078 0.000 1.141 215 N CA 0.135 53.229 53.050 0.072 0.000 0.851 215 N CB 0.049 38.572 38.487 0.059 0.000 0.976 215 N HN 0.043 nan 8.380 nan 0.000 0.465 216 F N 1.896 121.833 119.950 -0.023 0.000 2.444 216 F HA 0.166 4.693 4.527 -0.000 0.000 0.360 216 F C 0.074 175.861 175.800 -0.022 0.000 1.106 216 F CA -0.696 57.285 58.000 -0.031 0.000 1.170 216 F CB 0.673 39.643 39.000 -0.050 0.000 1.113 216 F HN -0.291 nan 8.300 nan 0.000 0.521 217 V N 7.056 126.598 119.914 -0.619 0.000 2.334 217 V HA 0.453 4.573 4.120 -0.000 0.000 0.267 217 V C 0.413 176.193 176.094 -0.523 0.000 1.040 217 V CA -0.929 61.137 62.300 -0.390 0.000 0.866 217 V CB 0.366 32.034 31.823 -0.260 0.000 1.019 217 V HN 0.937 nan 8.190 nan 0.000 0.468 218 A N 5.690 128.424 122.820 -0.144 0.000 2.444 218 A HA 0.359 4.679 4.320 -0.000 0.000 0.273 218 A C 0.419 177.999 177.584 -0.007 0.000 1.136 218 A CA -0.043 52.024 52.037 0.050 0.000 0.799 218 A CB -0.062 19.074 19.000 0.228 0.000 1.081 218 A HN 0.806 nan 8.150 nan 0.000 0.509 219 K N 1.817 122.209 120.400 -0.013 0.000 2.098 219 K HA 0.324 4.644 4.320 -0.000 0.000 0.261 219 K C -1.067 175.581 176.600 0.080 0.000 0.987 219 K CA -0.703 55.593 56.287 0.014 0.000 0.916 219 K CB 0.847 33.339 32.500 -0.014 0.000 1.039 219 K HN 0.643 nan 8.250 nan 0.000 0.455 220 D N 1.903 122.327 120.400 0.040 0.000 2.177 220 D HA 0.292 4.932 4.640 -0.000 0.000 0.247 220 D C -0.778 175.438 176.300 -0.139 0.000 1.063 220 D CA -0.081 53.862 54.000 -0.094 0.000 0.867 220 D CB 0.596 41.292 40.800 -0.174 0.000 1.168 220 D HN 0.233 nan 8.370 nan 0.000 0.445 221 F N 0.214 119.853 119.950 -0.520 0.000 2.576 221 F HA 0.727 5.254 4.527 -0.000 0.000 0.313 221 F C -1.605 173.818 175.800 -0.628 0.000 1.078 221 F CA -1.443 56.303 58.000 -0.424 0.000 0.921 221 F CB 0.756 39.667 39.000 -0.148 0.000 1.232 221 F HN 0.013 nan 8.300 nan 0.000 0.459 222 F N 0.987 120.957 119.950 0.033 0.000 2.507 222 F HA 0.678 5.205 4.527 -0.000 0.000 0.327 222 F C -0.082 175.743 175.800 0.042 0.000 1.068 222 F CA -0.763 57.213 58.000 -0.040 0.000 0.965 222 F CB 2.092 41.111 39.000 0.030 0.000 1.192 222 F HN 0.584 nan 8.300 nan 0.000 0.476 223 E N 0.275 120.596 120.200 0.202 0.000 2.343 223 E HA 0.664 5.014 4.350 -0.000 0.000 0.270 223 E C -1.671 175.076 176.600 0.245 0.000 0.895 223 E CA -0.894 55.627 56.400 0.202 0.000 0.767 223 E CB 2.863 32.628 29.700 0.109 0.000 1.248 223 E HN 0.308 nan 8.360 nan 0.000 0.440 224 V N 3.089 123.192 119.914 0.314 0.000 2.334 224 V HA 0.270 4.390 4.120 -0.000 0.000 0.281 224 V C -0.693 175.588 176.094 0.312 0.000 1.016 224 V CA -0.753 61.725 62.300 0.298 0.000 0.832 224 V CB 0.908 32.916 31.823 0.308 0.000 0.999 224 V HN 0.549 nan 8.190 nan 0.000 0.439 225 K N 3.945 124.494 120.400 0.249 0.000 2.265 225 K HA 0.855 5.175 4.320 -0.000 0.000 0.267 225 K C -0.361 176.387 176.600 0.247 0.000 0.994 225 K CA -0.351 56.075 56.287 0.232 0.000 0.860 225 K CB 1.953 34.526 32.500 0.121 0.000 1.099 225 K HN 0.601 nan 8.250 nan 0.000 0.448 226 A N 3.736 126.690 122.820 0.224 0.000 2.276 226 A HA 0.289 4.609 4.320 -0.000 0.000 0.300 226 A C -1.129 176.437 177.584 -0.030 0.000 1.235 226 A CA -0.733 51.333 52.037 0.047 0.000 0.867 226 A CB -0.179 18.655 19.000 -0.277 0.000 1.137 226 A HN 0.827 nan 8.150 nan 0.000 0.527 227 H N 2.683 121.663 119.070 -0.149 0.000 2.782 227 H HA 0.352 4.908 4.556 -0.000 0.000 0.285 227 H C 0.178 175.348 175.328 -0.262 0.000 1.093 227 H CA -0.352 55.592 56.048 -0.174 0.000 1.410 227 H CB 0.163 29.863 29.762 -0.103 0.000 1.439 227 H HN 0.438 nan 8.280 nan 0.000 0.469 228 I N 3.041 123.391 120.570 -0.366 0.000 2.566 228 I HA 0.324 4.494 4.170 -0.000 0.000 0.303 228 I C 0.242 176.205 176.117 -0.256 0.000 0.983 228 I CA -0.795 60.231 61.300 -0.457 0.000 1.235 228 I CB 1.569 38.977 38.000 -0.986 0.000 1.386 228 I HN 0.286 nan 8.210 nan 0.000 0.494 229 V N 4.363 124.210 119.914 -0.111 0.000 2.686 229 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 229 V C -0.011 176.115 176.094 0.053 0.000 1.065 229 V CA -0.249 62.056 62.300 0.009 0.000 0.894 229 V CB 2.205 34.031 31.823 0.005 0.000 1.004 229 V HN 1.043 nan 8.190 nan 0.000 0.424 230 T N 4.013 118.635 114.554 0.113 0.000 2.881 230 T HA 0.563 4.913 4.350 -0.000 0.000 0.278 230 T C -1.926 172.806 174.700 0.054 0.000 0.982 230 T CA -1.550 60.611 62.100 0.101 0.000 0.989 230 T CB 1.387 70.329 68.868 0.124 0.000 1.058 230 T HN 0.504 nan 8.240 nan 0.000 0.529 231 P HA 0.057 nan 4.420 nan 0.000 0.219 231 P C 1.319 178.631 177.300 0.019 0.000 1.146 231 P CA 0.963 64.076 63.100 0.022 0.000 0.808 231 P CB -0.338 31.371 31.700 0.015 0.000 0.779 232 A N -0.740 122.094 122.820 0.024 0.000 2.209 232 A HA -0.053 4.267 4.320 -0.000 0.000 0.212 232 A C 1.026 178.624 177.584 0.024 0.000 1.158 232 A CA 1.258 53.307 52.037 0.020 0.000 0.742 232 A CB -1.094 17.918 19.000 0.019 0.000 0.790 232 A HN 0.148 nan 8.150 nan 0.000 0.472 233 D N -1.818 118.601 120.400 0.032 0.000 2.954 233 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 233 D C -0.155 176.174 176.300 0.048 0.000 1.022 233 D CA 1.205 55.224 54.000 0.033 0.000 1.003 233 D CB -1.639 39.174 40.800 0.022 0.000 1.073 233 D HN 0.704 nan 8.370 nan 0.000 0.438 234 E N 0.397 120.637 120.200 0.067 0.000 2.366 234 E HA 0.492 4.842 4.350 -0.000 0.000 0.266 234 E C 0.368 177.055 176.600 0.146 0.000 1.051 234 E CA -0.015 56.441 56.400 0.092 0.000 0.884 234 E CB 1.114 30.868 29.700 0.089 0.000 1.006 234 E HN 0.109 nan 8.360 nan 0.000 0.417 235 R N 1.529 122.125 120.500 0.161 0.000 2.750 235 R HA 0.585 4.925 4.340 -0.000 0.000 0.281 235 R C -1.245 175.231 176.300 0.294 0.000 0.972 235 R CA -0.669 55.537 56.100 0.177 0.000 0.912 235 R CB 1.084 31.440 30.300 0.093 0.000 1.187 235 R HN 0.485 nan 8.270 nan 0.000 0.464 236 F N -1.870 118.081 119.950 0.002 0.000 2.773 236 F HA 0.550 5.077 4.527 -0.000 0.000 0.314 236 F C -1.236 174.533 175.800 -0.052 0.000 1.160 236 F CA -0.999 56.991 58.000 -0.017 0.000 0.920 236 F CB 1.229 40.235 39.000 0.010 0.000 1.323 236 F HN 0.440 nan 8.300 nan 0.000 0.457 237 T N -0.017 114.524 114.554 -0.021 0.000 2.912 237 T HA 0.941 5.291 4.350 -0.000 0.000 0.288 237 T C -0.728 173.987 174.700 0.026 0.000 1.030 237 T CA -0.330 61.660 62.100 -0.183 0.000 1.020 237 T CB 1.602 70.317 68.868 -0.256 0.000 1.056 237 T HN 1.513 nan 8.240 nan 0.000 0.480 238 A N 2.165 124.998 122.820 0.022 0.000 2.454 238 A HA 0.753 5.073 4.320 -0.000 0.000 0.302 238 A C -0.835 176.938 177.584 0.316 0.000 1.079 238 A CA -0.996 51.166 52.037 0.208 0.000 0.731 238 A CB 1.060 20.210 19.000 0.251 0.000 1.299 238 A HN 0.777 nan 8.150 nan 0.000 0.413 239 I N 1.316 122.055 120.570 0.282 0.000 2.336 239 I HA 0.178 4.348 4.170 -0.000 0.000 0.292 239 I C -0.212 175.966 176.117 0.102 0.000 0.991 239 I CA -0.610 60.821 61.300 0.218 0.000 1.227 239 I CB 1.069 39.138 38.000 0.115 0.000 1.366 239 I HN 0.887 nan 8.210 nan 0.000 0.466 240 W N 7.558 128.673 121.300 -0.308 0.000 2.264 240 W HA 0.076 4.736 4.660 -0.000 0.000 0.331 240 W C -0.303 175.956 176.519 -0.433 0.000 1.364 240 W CA -0.115 56.654 57.345 -0.961 0.000 1.253 240 W CB 0.320 29.280 29.460 -0.835 0.000 1.215 240 W HN 0.467 nan 8.180 nan 0.000 0.561 241 Q N 7.845 127.215 119.800 -0.717 0.000 2.523 241 Q HA 0.232 4.572 4.340 -0.000 0.000 0.251 241 Q C -2.051 173.505 176.000 -0.739 0.000 1.033 241 Q CA -1.817 53.619 55.803 -0.611 0.000 0.746 241 Q CB 1.041 29.627 28.738 -0.255 0.000 1.189 241 Q HN 0.233 nan 8.270 nan 0.000 0.508 242 P HA -0.106 nan 4.420 nan 0.000 0.267 242 P C -0.164 176.986 177.300 -0.249 0.000 1.195 242 P CA 0.569 63.193 63.100 -0.794 0.000 0.773 242 P CB 0.631 31.836 31.700 -0.826 0.000 0.837 243 S N 1.051 116.734 115.700 -0.029 0.000 2.658 243 S HA -0.047 4.423 4.470 -0.000 0.000 0.249 243 S C 1.296 175.900 174.600 0.007 0.000 1.363 243 S CA -0.510 57.711 58.200 0.036 0.000 0.964 243 S CB 0.184 63.455 63.200 0.118 0.000 0.973 243 S HN 0.567 nan 8.310 nan 0.000 0.588 244 E N 0.232 120.447 120.200 0.025 0.000 2.285 244 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 244 E C 1.791 178.414 176.600 0.038 0.000 0.997 244 E CA 0.571 56.981 56.400 0.017 0.000 0.845 244 E CB -0.169 29.541 29.700 0.016 0.000 0.782 244 E HN 0.688 nan 8.360 nan 0.000 0.491 245 A N -0.164 122.697 122.820 0.069 0.000 2.169 245 A HA -0.044 4.276 4.320 -0.000 0.000 0.212 245 A C 1.972 179.649 177.584 0.155 0.000 1.153 245 A CA 0.219 52.314 52.037 0.097 0.000 0.756 245 A CB -0.236 18.830 19.000 0.110 0.000 0.813 245 A HN 0.351 nan 8.150 nan 0.000 0.471 246 C N 0.281 119.681 119.300 0.168 0.000 2.578 246 C HA 0.130 4.590 4.460 -0.000 0.000 0.285 246 C C 2.032 177.144 174.990 0.203 0.000 1.297 246 C CA -0.124 59.056 59.018 0.269 0.000 1.690 246 C CB -1.608 26.248 27.740 0.193 0.000 1.773 246 C HN 0.628 nan 8.230 nan 0.000 0.594 247 E N 1.987 122.237 120.200 0.085 0.000 2.051 247 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 247 E C -0.588 176.000 176.600 -0.019 0.000 0.991 247 E CA 1.365 57.778 56.400 0.021 0.000 0.799 247 E CB -0.820 28.875 29.700 -0.008 0.000 0.748 247 E HN 0.468 nan 8.360 nan 0.000 0.449 248 P HA -0.167 nan 4.420 nan 0.000 0.218 248 P C 0.386 177.472 177.300 -0.356 0.000 1.146 248 P CA 1.297 64.225 63.100 -0.287 0.000 0.813 248 P CB -0.108 31.316 31.700 -0.460 0.000 0.778 249 Y N -1.636 118.700 120.300 0.059 0.000 2.457 249 Y HA 0.212 4.762 4.550 -0.000 0.000 0.263 249 Y C 1.182 177.141 175.900 0.097 0.000 1.164 249 Y CA -0.078 58.083 58.100 0.101 0.000 1.274 249 Y CB -0.355 38.213 38.460 0.179 0.000 1.097 249 Y HN 0.010 nan 8.280 nan 0.000 0.523 250 Q N 0.976 120.868 119.800 0.154 0.000 2.257 250 Q HA 0.216 4.556 4.340 -0.000 0.000 0.262 250 Q C -0.536 175.483 176.000 0.032 0.000 0.997 250 Q CA -1.053 54.805 55.803 0.091 0.000 0.873 250 Q CB 1.442 30.203 28.738 0.039 0.000 1.312 250 Q HN 0.217 nan 8.270 nan 0.000 0.450 251 D N 0.223 120.628 120.400 0.009 0.000 2.414 251 D HA -0.054 4.586 4.640 -0.000 0.000 0.251 251 D C 0.574 176.845 176.300 -0.048 0.000 1.252 251 D CA -0.218 53.764 54.000 -0.029 0.000 0.999 251 D CB 0.608 41.375 40.800 -0.055 0.000 1.093 251 D HN 0.405 nan 8.370 nan 0.000 0.515 252 E N -0.792 119.373 120.200 -0.057 0.000 2.265 252 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 252 E C 1.048 177.609 176.600 -0.065 0.000 0.996 252 E CA 0.806 57.172 56.400 -0.056 0.000 0.832 252 E CB 0.183 29.851 29.700 -0.053 0.000 0.756 252 E HN 0.542 nan 8.360 nan 0.000 0.491 253 E N -1.012 119.138 120.200 -0.085 0.000 2.474 253 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 253 E C 1.124 177.664 176.600 -0.100 0.000 1.039 253 E CA 0.590 56.931 56.400 -0.098 0.000 0.881 253 E CB 0.637 30.260 29.700 -0.128 0.000 0.970 253 E HN 0.220 nan 8.360 nan 0.000 0.486 254 G N 2.303 111.052 108.800 -0.085 0.000 2.132 254 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.228 254 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.228 254 G C -0.027 174.833 174.900 -0.067 0.000 1.000 254 G CA -0.193 44.863 45.100 -0.073 0.000 0.693 254 G HN 0.182 nan 8.290 nan 0.000 0.515 255 R N -0.462 119.986 120.500 -0.086 0.000 2.340 255 R HA 0.467 4.806 4.340 -0.000 0.000 0.300 255 R C 0.284 176.650 176.300 0.110 0.000 1.069 255 R CA -0.802 55.279 56.100 -0.033 0.000 0.984 255 R CB 1.136 31.228 30.300 -0.347 0.000 1.003 255 R HN 0.212 nan 8.270 nan 0.000 0.459 256 L N 4.762 126.110 121.223 0.208 0.000 2.433 256 L HA 0.052 4.392 4.340 -0.000 0.000 0.275 256 L C 0.503 177.585 176.870 0.353 0.000 1.128 256 L CA 0.624 55.619 54.840 0.257 0.000 0.875 256 L CB 0.477 42.693 42.059 0.262 0.000 1.171 256 L HN 0.710 nan 8.230 nan 0.000 0.463 257 L N 4.229 125.655 121.223 0.337 0.000 2.298 257 L HA 0.100 4.440 4.340 -0.000 0.000 0.209 257 L C 0.913 178.082 176.870 0.498 0.000 1.084 257 L CA 0.103 55.158 54.840 0.358 0.000 0.816 257 L CB -0.320 41.884 42.059 0.241 0.000 0.967 257 L HN 0.622 nan 8.230 nan 0.000 0.460 258 H N 1.046 120.312 119.070 0.326 0.000 2.820 258 H HA 0.113 4.669 4.556 -0.000 0.000 0.278 258 H C 0.987 176.362 175.328 0.079 0.000 1.142 258 H CA -0.334 55.843 56.048 0.215 0.000 1.346 258 H CB 0.716 30.612 29.762 0.223 0.000 1.438 258 H HN 0.096 nan 8.280 nan 0.000 0.473 259 R N 4.273 124.639 120.500 -0.224 0.000 2.094 259 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 259 R C -0.859 175.115 176.300 -0.543 0.000 1.137 259 R CA 1.732 57.408 56.100 -0.707 0.000 0.943 259 R CB -0.874 28.769 30.300 -1.095 0.000 0.850 259 R HN 0.531 nan 8.270 nan 0.000 0.433 260 P HA -0.238 nan 4.420 nan 0.000 0.222 260 P C 1.211 178.276 177.300 -0.392 0.000 1.157 260 P CA 1.444 64.228 63.100 -0.527 0.000 0.905 260 P CB -0.078 31.194 31.700 -0.715 0.000 0.792 261 L N -1.142 119.835 121.223 -0.410 0.000 2.013 261 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 261 L C 2.451 179.245 176.870 -0.127 0.000 1.073 261 L CA 2.388 57.111 54.840 -0.195 0.000 0.753 261 L CB -1.540 40.472 42.059 -0.079 0.000 0.890 261 L HN -0.079 nan 8.230 nan 0.000 0.432 262 A N -0.850 121.930 122.820 -0.067 0.000 1.859 262 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 262 A C 2.224 179.717 177.584 -0.151 0.000 1.209 262 A CA 2.241 54.247 52.037 -0.052 0.000 0.639 262 A CB -0.927 18.070 19.000 -0.004 0.000 0.835 262 A HN 0.489 nan 8.150 nan 0.000 0.450 263 E N -1.572 118.529 120.200 -0.165 0.000 2.065 263 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 263 E C 2.031 178.558 176.600 -0.122 0.000 1.016 263 E CA 1.605 57.921 56.400 -0.141 0.000 0.818 263 E CB -0.344 29.268 29.700 -0.147 0.000 0.749 263 E HN 0.779 nan 8.360 nan 0.000 0.453 264 H N -0.086 118.858 119.070 -0.210 0.000 2.257 264 H HA -0.188 4.368 4.556 -0.000 0.000 0.292 264 H C 2.165 177.355 175.328 -0.230 0.000 1.075 264 H CA 2.227 58.157 56.048 -0.197 0.000 1.212 264 H CB -0.223 29.425 29.762 -0.191 0.000 1.354 264 H HN 0.069 nan 8.280 nan 0.000 0.497 265 V N 0.761 120.443 119.914 -0.387 0.000 2.278 265 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 265 V C 2.973 178.867 176.094 -0.333 0.000 1.062 265 V CA 1.801 63.793 62.300 -0.513 0.000 1.038 265 V CB -0.918 30.329 31.823 -0.961 0.000 0.646 265 V HN 0.298 nan 8.190 nan 0.000 0.447 266 V N 0.742 120.515 119.914 -0.236 0.000 2.317 266 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 266 V C 2.314 178.307 176.094 -0.169 0.000 1.065 266 V CA 2.481 64.691 62.300 -0.150 0.000 1.049 266 V CB -0.887 30.872 31.823 -0.106 0.000 0.651 266 V HN 0.632 nan 8.190 nan 0.000 0.450 267 N N -0.288 118.289 118.700 -0.205 0.000 2.216 267 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 267 N C 1.982 177.359 175.510 -0.222 0.000 1.017 267 N CA 0.926 53.861 53.050 -0.193 0.000 0.861 267 N CB -0.250 38.129 38.487 -0.180 0.000 0.986 267 N HN 0.460 nan 8.380 nan 0.000 0.428 268 R N 0.656 120.968 120.500 -0.313 0.000 2.092 268 R HA 0.029 4.369 4.340 -0.000 0.000 0.231 268 R C 1.919 178.107 176.300 -0.185 0.000 1.119 268 R CA 0.667 56.606 56.100 -0.269 0.000 0.970 268 R CB -0.234 29.862 30.300 -0.340 0.000 0.864 268 R HN 0.218 nan 8.270 nan 0.000 0.440 269 I N 0.716 121.175 120.570 -0.185 0.000 2.400 269 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 269 I C 1.344 177.361 176.117 -0.168 0.000 1.109 269 I CA 0.401 61.593 61.300 -0.180 0.000 1.425 269 I CB -1.172 36.724 38.000 -0.174 0.000 1.094 269 I HN -0.026 nan 8.210 nan 0.000 0.425 270 S N 1.387 117.000 115.700 -0.145 0.000 2.673 270 S HA 0.138 4.608 4.470 -0.000 0.000 0.308 270 S C 1.411 175.943 174.600 -0.114 0.000 1.246 270 S CA 0.765 58.889 58.200 -0.125 0.000 1.077 270 S CB -0.144 62.989 63.200 -0.113 0.000 0.814 270 S HN 0.787 nan 8.310 nan 0.000 0.503 271 G N 3.462 112.197 108.800 -0.109 0.000 2.184 271 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.264 271 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.264 271 G C 0.104 174.953 174.900 -0.086 0.000 0.975 271 G CA 0.485 45.530 45.100 -0.090 0.000 0.642 271 G HN 0.779 nan 8.290 nan 0.000 0.536 272 Q N 0.698 120.437 119.800 -0.102 0.000 2.256 272 Q HA 0.456 4.796 4.340 -0.000 0.000 0.232 272 Q C -2.208 173.736 176.000 -0.092 0.000 0.965 272 Q CA -1.670 54.078 55.803 -0.091 0.000 0.908 272 Q CB 1.067 29.744 28.738 -0.102 0.000 1.209 272 Q HN 0.314 nan 8.270 nan 0.000 0.489 273 P HA 0.174 nan 4.420 nan 0.000 0.271 273 P C -1.422 175.837 177.300 -0.069 0.000 1.218 273 P CA -0.157 62.910 63.100 -0.056 0.000 0.780 273 P CB 0.613 32.294 31.700 -0.033 0.000 0.901 274 A N 3.861 126.646 122.820 -0.058 0.000 2.332 274 A HA 0.561 4.881 4.320 -0.000 0.000 0.300 274 A C -0.494 177.092 177.584 0.004 0.000 1.153 274 A CA -0.639 51.364 52.037 -0.056 0.000 0.764 274 A CB 0.413 19.349 19.000 -0.107 0.000 1.174 274 A HN 0.327 nan 8.150 nan 0.000 0.467 275 I N 3.708 124.293 120.570 0.026 0.000 2.312 275 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 275 I C 0.264 176.429 176.117 0.080 0.000 1.008 275 I CA -0.630 60.700 61.300 0.049 0.000 1.226 275 I CB 0.966 38.992 38.000 0.043 0.000 1.371 275 I HN 0.311 nan 8.210 nan 0.000 0.468 276 V N 7.161 127.130 119.914 0.092 0.000 2.540 276 V HA 0.036 4.156 4.120 -0.000 0.000 0.297 276 V C 1.309 177.464 176.094 0.101 0.000 1.024 276 V CA 0.603 62.974 62.300 0.119 0.000 1.105 276 V CB 0.552 32.449 31.823 0.124 0.000 0.938 276 V HN 0.884 nan 8.190 nan 0.000 0.482 277 T N 2.323 116.944 114.554 0.112 0.000 2.978 277 T HA 0.162 4.512 4.350 -0.000 0.000 0.248 277 T C 0.446 175.201 174.700 0.093 0.000 1.018 277 T CA 0.807 62.963 62.100 0.094 0.000 1.026 277 T CB 0.335 69.262 68.868 0.100 0.000 1.032 277 T HN 0.842 nan 8.240 nan 0.000 0.485 278 S N 0.298 116.066 115.700 0.114 0.000 2.543 278 S HA 0.615 5.085 4.470 -0.000 0.000 0.274 278 S C -1.978 172.723 174.600 0.169 0.000 1.149 278 S CA -0.925 57.345 58.200 0.116 0.000 0.866 278 S CB 1.623 64.871 63.200 0.080 0.000 1.111 278 S HN 0.225 nan 8.310 nan 0.000 0.457 279 Y N 2.481 122.797 120.300 0.027 0.000 2.442 279 Y HA 0.712 5.262 4.550 -0.000 0.000 0.344 279 Y C -1.267 174.640 175.900 0.011 0.000 0.976 279 Y CA -0.619 57.491 58.100 0.016 0.000 1.040 279 Y CB 1.921 40.385 38.460 0.007 0.000 1.228 279 Y HN 0.909 nan 8.280 nan 0.000 0.451 280 N N 3.956 122.357 118.700 -0.498 0.000 2.310 280 N HA 0.205 4.945 4.740 -0.000 0.000 0.292 280 N C -2.377 172.852 175.510 -0.467 0.000 1.049 280 N CA -0.418 52.440 53.050 -0.320 0.000 0.849 280 N CB 2.070 40.457 38.487 -0.167 0.000 1.532 280 N HN 0.751 nan 8.380 nan 0.000 0.479 281 D N 2.283 122.563 120.400 -0.200 0.000 2.330 281 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 281 D C -0.991 175.280 176.300 -0.048 0.000 1.306 281 D CA -0.342 53.587 54.000 -0.119 0.000 0.956 281 D CB 0.544 41.359 40.800 0.024 0.000 1.261 281 D HN 0.331 nan 8.370 nan 0.000 0.544 282 K N 2.171 122.531 120.400 -0.067 0.000 2.281 282 K HA 0.663 4.983 4.320 -0.000 0.000 0.242 282 K C -0.237 176.329 176.600 -0.056 0.000 0.971 282 K CA -0.981 55.279 56.287 -0.045 0.000 0.834 282 K CB 2.099 34.576 32.500 -0.038 0.000 1.181 282 K HN 0.172 nan 8.250 nan 0.000 0.435 283 R N 1.700 122.175 120.500 -0.041 0.000 2.388 283 R HA 0.155 4.495 4.340 -0.000 0.000 0.314 283 R C -0.668 175.624 176.300 -0.013 0.000 0.959 283 R CA -0.481 55.591 56.100 -0.047 0.000 0.851 283 R CB 1.533 31.802 30.300 -0.051 0.000 1.168 283 R HN 0.737 nan 8.270 nan 0.000 0.472 284 E N 1.394 121.604 120.200 0.017 0.000 2.202 284 E HA 0.418 4.768 4.350 -0.000 0.000 0.272 284 E C -0.817 175.845 176.600 0.104 0.000 0.951 284 E CA -0.985 55.446 56.400 0.051 0.000 0.813 284 E CB 1.838 31.566 29.700 0.047 0.000 1.151 284 E HN 0.404 nan 8.360 nan 0.000 0.398 285 S N 1.166 116.923 115.700 0.095 0.000 2.501 285 S HA 0.385 4.855 4.470 -0.000 0.000 0.301 285 S C -0.531 174.173 174.600 0.174 0.000 1.096 285 S CA -1.029 57.245 58.200 0.122 0.000 1.063 285 S CB 1.232 64.476 63.200 0.072 0.000 1.042 285 S HN 0.657 nan 8.310 nan 0.000 0.494 286 E N 1.151 121.510 120.200 0.266 0.000 2.176 286 E HA 0.560 4.910 4.350 -0.000 0.000 0.267 286 E C -0.609 176.240 176.600 0.415 0.000 0.893 286 E CA -0.814 55.779 56.400 0.321 0.000 0.761 286 E CB 1.495 31.448 29.700 0.422 0.000 1.133 286 E HN 0.622 nan 8.360 nan 0.000 0.409 287 S N 2.579 118.406 115.700 0.213 0.000 2.610 287 S HA 0.608 5.078 4.470 -0.000 0.000 0.273 287 S C 0.551 174.972 174.600 -0.299 0.000 1.274 287 S CA -0.610 57.634 58.200 0.074 0.000 1.023 287 S CB 1.387 64.572 63.200 -0.025 0.000 0.962 287 S HN 0.808 nan 8.310 nan 0.000 0.523 288 A N 3.022 125.421 122.820 -0.702 0.000 2.561 288 A HA 0.450 4.770 4.320 -0.000 0.000 0.234 288 A C -2.102 174.974 177.584 -0.847 0.000 1.055 288 A CA -0.860 50.348 52.037 -1.382 0.000 0.756 288 A CB -1.079 17.447 19.000 -0.789 0.000 0.986 288 A HN 0.722 nan 8.150 nan 0.000 0.505 289 P HA 0.289 nan 4.420 nan 0.000 0.272 289 P C -0.211 176.778 177.300 -0.518 0.000 1.230 289 P CA -0.273 62.481 63.100 -0.577 0.000 0.788 289 P CB 0.337 31.726 31.700 -0.518 0.000 0.949 290 L N 2.582 123.540 121.223 -0.441 0.000 2.476 290 L HA 0.229 4.569 4.340 -0.000 0.000 0.264 290 L C -1.844 174.744 176.870 -0.469 0.000 1.224 290 L CA -1.723 52.825 54.840 -0.487 0.000 0.821 290 L CB -0.537 41.194 42.059 -0.547 0.000 1.101 290 L HN 0.279 nan 8.230 nan 0.000 0.488 291 P HA 0.013 nan 4.420 nan 0.000 0.269 291 P C -0.652 176.511 177.300 -0.228 0.000 1.209 291 P CA -0.164 62.721 63.100 -0.359 0.000 0.776 291 P CB 0.226 31.780 31.700 -0.244 0.000 0.876 292 F N 0.612 120.505 119.950 -0.095 0.000 2.553 292 F HA 0.123 4.650 4.527 -0.000 0.000 0.356 292 F C 1.555 177.319 175.800 -0.060 0.000 1.142 292 F CA 0.440 58.395 58.000 -0.076 0.000 1.322 292 F CB -0.300 38.669 39.000 -0.051 0.000 1.126 292 F HN 0.247 nan 8.300 nan 0.000 0.599 293 S N 2.640 118.456 115.700 0.193 0.000 2.664 293 S HA 0.458 4.928 4.470 -0.000 0.000 0.304 293 S C 0.659 175.262 174.600 0.006 0.000 1.099 293 S CA -0.920 57.326 58.200 0.076 0.000 1.003 293 S CB 1.609 64.843 63.200 0.057 0.000 1.092 293 S HN 0.580 nan 8.310 nan 0.000 0.525 294 L N 2.202 123.398 121.223 -0.045 0.000 1.990 294 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 294 L C 2.526 179.326 176.870 -0.116 0.000 1.072 294 L CA 2.768 57.546 54.840 -0.104 0.000 0.755 294 L CB -1.441 40.545 42.059 -0.120 0.000 0.889 294 L HN 0.934 nan 8.230 nan 0.000 0.432 295 S N -0.016 115.638 115.700 -0.076 0.000 2.359 295 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 295 S C 2.145 176.690 174.600 -0.092 0.000 1.035 295 S CA 1.126 59.282 58.200 -0.074 0.000 1.018 295 S CB -1.301 61.875 63.200 -0.040 0.000 0.876 295 S HN 0.627 nan 8.310 nan 0.000 0.448 296 A N 2.211 124.997 122.820 -0.057 0.000 1.873 296 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 296 A C 2.271 179.670 177.584 -0.308 0.000 1.193 296 A CA 1.938 53.957 52.037 -0.029 0.000 0.629 296 A CB -1.005 18.095 19.000 0.167 0.000 0.826 296 A HN 0.483 nan 8.150 nan 0.000 0.447 297 L N -0.478 120.374 121.223 -0.618 0.000 2.046 297 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 297 L C 2.436 179.001 176.870 -0.508 0.000 1.077 297 L CA 2.452 56.645 54.840 -1.077 0.000 0.747 297 L CB -0.747 40.829 42.059 -0.805 0.000 0.896 297 L HN 0.523 nan 8.230 nan 0.000 0.432 298 Q N -0.219 119.405 119.800 -0.293 0.000 2.045 298 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 298 Q C 2.263 178.173 176.000 -0.150 0.000 0.991 298 Q CA 2.610 58.306 55.803 -0.179 0.000 0.851 298 Q CB -0.354 28.306 28.738 -0.131 0.000 0.911 298 Q HN 0.620 nan 8.270 nan 0.000 0.418 299 I N 0.326 120.814 120.570 -0.136 0.000 2.208 299 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 299 I C 2.357 178.417 176.117 -0.096 0.000 1.097 299 I CA 1.188 62.436 61.300 -0.087 0.000 1.363 299 I CB -0.233 37.739 38.000 -0.046 0.000 1.051 299 I HN 0.216 nan 8.210 nan 0.000 0.413 300 E N 1.231 121.340 120.200 -0.153 0.000 2.106 300 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 300 E C 2.114 178.641 176.600 -0.122 0.000 0.984 300 E CA 1.495 57.828 56.400 -0.111 0.000 0.806 300 E CB -0.147 29.514 29.700 -0.066 0.000 0.750 300 E HN 0.417 nan 8.360 nan 0.000 0.458 301 A N 0.827 123.574 122.820 -0.122 0.000 1.898 301 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 301 A C 2.429 180.005 177.584 -0.013 0.000 1.181 301 A CA 1.977 54.014 52.037 -0.001 0.000 0.620 301 A CB -1.073 17.939 19.000 0.021 0.000 0.819 301 A HN 0.363 nan 8.150 nan 0.000 0.442 302 A N 0.090 122.880 122.820 -0.052 0.000 1.849 302 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 302 A C 2.181 179.725 177.584 -0.066 0.000 1.202 302 A CA 2.245 54.252 52.037 -0.050 0.000 0.629 302 A CB -0.640 18.327 19.000 -0.056 0.000 0.834 302 A HN 0.524 nan 8.150 nan 0.000 0.447 303 K N -0.889 119.463 120.400 -0.080 0.000 2.103 303 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 303 K C 2.247 178.756 176.600 -0.151 0.000 1.048 303 K CA 1.528 57.762 56.287 -0.089 0.000 0.930 303 K CB -0.126 32.339 32.500 -0.059 0.000 0.716 303 K HN 0.456 nan 8.250 nan 0.000 0.444 304 R N -1.354 118.982 120.500 -0.272 0.000 2.123 304 R HA 0.049 4.389 4.340 -0.000 0.000 0.209 304 R C 1.504 177.495 176.300 -0.516 0.000 1.078 304 R CA 0.725 56.520 56.100 -0.508 0.000 1.028 304 R CB 0.196 29.949 30.300 -0.911 0.000 0.939 304 R HN 0.157 nan 8.270 nan 0.000 0.463 305 F N -0.756 119.184 119.950 -0.016 0.000 2.706 305 F HA 0.347 4.874 4.527 -0.000 0.000 0.308 305 F C 1.039 176.817 175.800 -0.036 0.000 1.095 305 F CA 0.087 58.075 58.000 -0.020 0.000 1.244 305 F CB 0.537 39.528 39.000 -0.014 0.000 1.063 305 F HN 0.120 nan 8.300 nan 0.000 0.582 306 G N 2.065 110.906 108.800 0.069 0.000 2.298 306 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.287 306 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.287 306 G C -0.353 174.558 174.900 0.018 0.000 1.075 306 G CA -0.167 44.939 45.100 0.010 0.000 0.960 306 G HN 0.288 nan 8.290 nan 0.000 0.502 307 L N 1.285 122.527 121.223 0.032 0.000 2.287 307 L HA 0.543 4.883 4.340 -0.000 0.000 0.287 307 L C 1.343 178.190 176.870 -0.038 0.000 1.022 307 L CA -0.452 54.391 54.840 0.005 0.000 0.814 307 L CB 1.562 43.641 42.059 0.034 0.000 1.217 307 L HN 0.487 nan 8.230 nan 0.000 0.420 308 S N 2.384 118.042 115.700 -0.071 0.000 2.589 308 S HA 0.101 4.570 4.470 -0.000 0.000 0.256 308 S C 1.350 175.898 174.600 -0.087 0.000 1.383 308 S CA 0.205 58.346 58.200 -0.099 0.000 0.983 308 S CB 1.029 64.142 63.200 -0.145 0.000 0.908 308 S HN 0.709 nan 8.310 nan 0.000 0.572 309 A N 0.609 123.373 122.820 -0.093 0.000 1.877 309 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 309 A C 2.321 179.856 177.584 -0.082 0.000 1.186 309 A CA 1.931 53.916 52.037 -0.085 0.000 0.620 309 A CB -1.425 17.527 19.000 -0.080 0.000 0.822 309 A HN 0.908 nan 8.150 nan 0.000 0.443 310 Q N 0.339 120.088 119.800 -0.085 0.000 2.050 310 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 310 Q C 1.830 177.787 176.000 -0.071 0.000 0.980 310 Q CA 2.330 58.088 55.803 -0.076 0.000 0.840 310 Q CB -0.681 28.010 28.738 -0.079 0.000 0.898 310 Q HN 0.756 nan 8.270 nan 0.000 0.424 311 N N -1.389 117.266 118.700 -0.075 0.000 2.036 311 N HA -0.222 4.518 4.740 -0.000 0.000 0.199 311 N C 1.523 177.001 175.510 -0.053 0.000 1.036 311 N CA 2.283 55.296 53.050 -0.062 0.000 0.870 311 N CB -0.140 38.311 38.487 -0.061 0.000 1.055 311 N HN 0.132 nan 8.380 nan 0.000 0.436 312 V N 0.554 120.434 119.914 -0.057 0.000 2.407 312 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 312 V C 2.104 178.158 176.094 -0.067 0.000 1.055 312 V CA 1.215 63.481 62.300 -0.058 0.000 1.049 312 V CB -0.575 31.205 31.823 -0.072 0.000 0.662 312 V HN 0.382 nan 8.190 nan 0.000 0.455 313 L N 0.289 121.467 121.223 -0.075 0.000 2.056 313 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 313 L C 2.061 178.891 176.870 -0.066 0.000 1.078 313 L CA 1.904 56.694 54.840 -0.083 0.000 0.749 313 L CB -1.043 40.965 42.059 -0.085 0.000 0.901 313 L HN 0.282 nan 8.230 nan 0.000 0.433 314 D N 0.033 120.400 120.400 -0.054 0.000 2.088 314 D HA -0.222 4.418 4.640 -0.000 0.000 0.191 314 D C 2.285 178.566 176.300 -0.033 0.000 0.992 314 D CA 2.242 56.215 54.000 -0.044 0.000 0.831 314 D CB -0.286 40.488 40.800 -0.043 0.000 0.973 314 D HN 0.435 nan 8.370 nan 0.000 0.447 315 I N 0.713 121.267 120.570 -0.026 0.000 2.194 315 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 315 I C 2.587 178.711 176.117 0.012 0.000 1.093 315 I CA 0.783 62.080 61.300 -0.004 0.000 1.355 315 I CB -0.498 37.501 38.000 -0.001 0.000 1.046 315 I HN 0.071 nan 8.210 nan 0.000 0.413 316 C N 0.342 119.635 119.300 -0.011 0.000 2.425 316 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 316 C C 2.867 177.866 174.990 0.015 0.000 1.280 316 C CA 0.560 59.573 59.018 -0.008 0.000 1.744 316 C CB -0.951 26.748 27.740 -0.069 0.000 1.989 316 C HN 0.535 nan 8.230 nan 0.000 0.491 317 Q N 0.846 120.645 119.800 -0.002 0.000 2.119 317 Q HA -0.144 4.196 4.340 -0.000 0.000 0.201 317 Q C 2.188 178.208 176.000 0.033 0.000 0.972 317 Q CA 1.054 56.882 55.803 0.042 0.000 0.847 317 Q CB -0.405 28.337 28.738 0.007 0.000 0.903 317 Q HN 0.692 nan 8.270 nan 0.000 0.433 318 K N 0.783 121.175 120.400 -0.013 0.000 2.057 318 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 318 K C 2.179 178.739 176.600 -0.066 0.000 1.050 318 K CA 0.660 56.896 56.287 -0.084 0.000 0.935 318 K CB -0.019 32.434 32.500 -0.078 0.000 0.715 318 K HN 0.121 nan 8.250 nan 0.000 0.439 319 L N -0.049 121.226 121.223 0.086 0.000 2.093 319 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 319 L C 2.457 179.428 176.870 0.168 0.000 1.085 319 L CA 1.071 56.019 54.840 0.180 0.000 0.755 319 L CB -0.414 41.762 42.059 0.195 0.000 0.904 319 L HN 0.288 nan 8.230 nan 0.000 0.435 320 Y N 0.596 120.900 120.300 0.007 0.000 2.231 320 Y HA -0.110 4.440 4.550 -0.000 0.000 0.294 320 Y C 2.369 178.261 175.900 -0.014 0.000 1.120 320 Y CA 1.301 59.404 58.100 0.005 0.000 1.141 320 Y CB 0.034 38.483 38.460 -0.019 0.000 1.022 320 Y HN 0.139 nan 8.280 nan 0.000 0.523 321 E N -0.955 119.132 120.200 -0.188 0.000 2.045 321 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 321 E C 1.932 178.387 176.600 -0.241 0.000 0.968 321 E CA 1.381 57.596 56.400 -0.309 0.000 0.813 321 E CB -0.141 29.453 29.700 -0.177 0.000 0.780 321 E HN 0.331 nan 8.360 nan 0.000 0.455 322 T N 1.116 115.531 114.554 -0.233 0.000 2.612 322 T HA -0.103 4.247 4.350 -0.000 0.000 0.251 322 T C 1.705 176.265 174.700 -0.233 0.000 1.090 322 T CA 1.059 62.986 62.100 -0.289 0.000 1.198 322 T CB -0.561 68.034 68.868 -0.455 0.000 0.878 322 T HN 0.191 nan 8.240 nan 0.000 0.401 323 H N 1.341 120.357 119.070 -0.091 0.000 2.457 323 H HA 0.044 4.600 4.556 -0.000 0.000 0.297 323 H C 1.149 176.416 175.328 -0.102 0.000 1.092 323 H CA 1.031 57.016 56.048 -0.105 0.000 1.309 323 H CB -0.256 29.428 29.762 -0.130 0.000 1.382 323 H HN 0.351 nan 8.280 nan 0.000 0.535 324 K N -0.934 119.474 120.400 0.014 0.000 3.192 324 K HA -0.163 4.157 4.320 -0.000 0.000 0.278 324 K C -0.793 175.836 176.600 0.048 0.000 1.164 324 K CA 0.691 56.973 56.287 -0.010 0.000 0.816 324 K CB -1.542 30.937 32.500 -0.036 0.000 1.256 324 K HN 0.215 nan 8.250 nan 0.000 0.497 325 L N -2.326 118.945 121.223 0.080 0.000 2.839 325 L HA 0.650 4.990 4.340 -0.000 0.000 0.259 325 L C -0.526 176.491 176.870 0.245 0.000 1.369 325 L CA -0.527 54.375 54.840 0.103 0.000 0.845 325 L CB 0.642 42.636 42.059 -0.108 0.000 1.181 325 L HN -0.053 nan 8.230 nan 0.000 0.529 326 I N -0.383 120.327 120.570 0.233 0.000 2.763 326 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 326 I C 0.107 176.383 176.117 0.265 0.000 1.610 326 I CA -0.021 61.410 61.300 0.218 0.000 1.002 326 I CB 2.461 40.587 38.000 0.211 0.000 1.416 326 I HN 0.377 nan 8.210 nan 0.000 0.479 327 T N 2.086 116.759 114.554 0.198 0.000 2.862 327 T HA 0.313 4.663 4.350 -0.000 0.000 0.276 327 T C -0.109 174.520 174.700 -0.119 0.000 0.974 327 T CA -0.469 61.756 62.100 0.208 0.000 0.966 327 T CB 0.476 69.513 68.868 0.282 0.000 1.072 327 T HN 0.372 nan 8.240 nan 0.000 0.538 328 Y N 4.065 124.072 120.300 -0.488 0.000 2.867 328 Y HA 0.028 4.578 4.550 -0.000 0.000 0.367 328 Y C -1.502 174.064 175.900 -0.555 0.000 1.310 328 Y CA -1.685 55.860 58.100 -0.926 0.000 1.655 328 Y CB 0.239 38.396 38.460 -0.505 0.000 1.181 328 Y HN 0.344 nan 8.280 nan 0.000 0.533 329 P HA 0.014 nan 4.420 nan 0.000 0.257 329 P C -0.676 176.254 177.300 -0.616 0.000 1.325 329 P CA 0.475 63.194 63.100 -0.635 0.000 0.850 329 P CB 0.078 31.526 31.700 -0.420 0.000 1.324 330 R N -1.043 118.907 120.500 -0.917 0.000 2.903 330 R HA 0.433 4.773 4.340 -0.000 0.000 0.363 330 R C 0.029 176.170 176.300 -0.265 0.000 1.161 330 R CA -0.400 55.415 56.100 -0.474 0.000 1.109 330 R CB -0.162 29.916 30.300 -0.370 0.000 1.399 330 R HN -0.152 nan 8.270 nan 0.000 0.587 331 S N 1.199 116.788 115.700 -0.184 0.000 2.499 331 S HA 0.076 4.545 4.470 -0.000 0.000 0.279 331 S C 0.589 175.259 174.600 0.116 0.000 1.219 331 S CA -0.621 57.614 58.200 0.058 0.000 1.062 331 S CB 1.038 64.355 63.200 0.195 0.000 0.978 331 S HN 0.495 nan 8.310 nan 0.000 0.489 332 D N 2.545 123.093 120.400 0.247 0.000 2.327 332 D HA 0.029 4.669 4.640 -0.000 0.000 0.205 332 D C 0.911 177.293 176.300 0.135 0.000 0.989 332 D CA -0.074 54.018 54.000 0.154 0.000 0.873 332 D CB -0.775 40.109 40.800 0.140 0.000 0.955 332 D HN 0.384 nan 8.370 nan 0.000 0.515 333 C N 0.923 120.318 119.300 0.158 0.000 2.676 333 C HA 0.336 4.796 4.460 -0.000 0.000 0.416 333 C C 1.340 176.374 174.990 0.073 0.000 1.299 333 C CA -0.359 58.705 59.018 0.077 0.000 2.048 333 C CB -0.225 27.483 27.740 -0.053 0.000 2.713 333 C HN 0.303 nan 8.230 nan 0.000 0.624 334 R N 1.792 122.327 120.500 0.059 0.000 2.509 334 R HA 0.188 4.528 4.340 -0.000 0.000 0.297 334 R C -0.774 175.311 176.300 -0.358 0.000 0.951 334 R CA -0.036 55.991 56.100 -0.122 0.000 1.103 334 R CB 0.421 30.607 30.300 -0.189 0.000 1.283 334 R HN 0.723 nan 8.270 nan 0.000 0.534 335 Y N 0.092 120.323 120.300 -0.115 0.000 2.565 335 Y HA 0.527 5.077 4.550 -0.000 0.000 0.325 335 Y C 0.260 176.055 175.900 -0.174 0.000 1.221 335 Y CA -0.648 57.347 58.100 -0.176 0.000 1.316 335 Y CB 1.148 39.525 38.460 -0.138 0.000 1.404 335 Y HN -0.230 nan 8.280 nan 0.000 0.527 336 L N 1.725 122.885 121.223 -0.104 0.000 2.376 336 L HA 0.521 4.860 4.340 -0.000 0.000 0.258 336 L C -2.662 174.174 176.870 -0.058 0.000 1.013 336 L CA -2.345 52.383 54.840 -0.187 0.000 0.822 336 L CB 2.573 44.387 42.059 -0.408 0.000 1.388 336 L HN 0.335 nan 8.230 nan 0.000 0.413 337 P HA 0.075 nan 4.420 nan 0.000 0.269 337 P C -0.076 177.374 177.300 0.250 0.000 1.209 337 P CA -0.038 63.067 63.100 0.009 0.000 0.776 337 P CB 0.695 32.331 31.700 -0.107 0.000 0.876 338 E N 1.435 121.772 120.200 0.228 0.000 2.150 338 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 338 E C 1.485 178.233 176.600 0.248 0.000 0.985 338 E CA 0.871 57.423 56.400 0.254 0.000 0.814 338 E CB 0.031 29.816 29.700 0.141 0.000 0.752 338 E HN 0.642 nan 8.360 nan 0.000 0.466 339 E N 0.152 120.495 120.200 0.239 0.000 2.516 339 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 339 E C 0.920 177.693 176.600 0.288 0.000 1.069 339 E CA 0.652 57.186 56.400 0.224 0.000 0.876 339 E CB 0.000 29.806 29.700 0.177 0.000 0.843 339 E HN 0.362 nan 8.360 nan 0.000 0.530 340 H N -0.543 118.654 119.070 0.211 0.000 2.502 340 H HA 0.063 4.619 4.556 -0.000 0.000 0.283 340 H C 1.123 176.532 175.328 0.135 0.000 1.015 340 H CA 0.833 57.026 56.048 0.242 0.000 1.298 340 H CB -0.258 29.738 29.762 0.390 0.000 1.411 340 H HN 0.232 nan 8.280 nan 0.000 0.556 341 F N 1.341 121.201 119.950 -0.150 0.000 2.120 341 F HA -0.251 4.276 4.527 -0.000 0.000 0.300 341 F C 2.397 178.006 175.800 -0.318 0.000 1.095 341 F CA 1.294 58.898 58.000 -0.661 0.000 1.249 341 F CB -0.506 38.011 39.000 -0.806 0.000 0.995 341 F HN 0.161 nan 8.300 nan 0.000 0.480 342 A N -0.285 122.427 122.820 -0.180 0.000 2.076 342 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 342 A C 2.260 179.736 177.584 -0.180 0.000 1.160 342 A CA 1.480 53.415 52.037 -0.169 0.000 0.653 342 A CB -1.587 17.397 19.000 -0.027 0.000 0.801 342 A HN 0.473 nan 8.150 nan 0.000 0.455 343 G N -0.511 108.199 108.800 -0.149 0.000 3.233 343 G HA2 0.108 4.068 3.960 -0.000 0.000 0.227 343 G HA3 0.108 4.068 3.960 -0.000 0.000 0.227 343 G C 1.314 176.150 174.900 -0.108 0.000 1.175 343 G CA 0.449 45.487 45.100 -0.104 0.000 0.781 343 G HN 0.712 nan 8.290 nan 0.000 0.542 344 R N -0.237 120.096 120.500 -0.278 0.000 2.105 344 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 344 R C 1.697 177.783 176.300 -0.356 0.000 1.135 344 R CA 1.736 57.651 56.100 -0.308 0.000 0.967 344 R CB -0.717 29.156 30.300 -0.712 0.000 0.861 344 R HN 0.480 nan 8.270 nan 0.000 0.442 345 H N 0.696 119.663 119.070 -0.171 0.000 2.326 345 H HA 0.081 4.637 4.556 -0.000 0.000 0.301 345 H C 2.369 177.658 175.328 -0.065 0.000 1.081 345 H CA 1.539 57.509 56.048 -0.131 0.000 1.334 345 H CB -0.083 29.600 29.762 -0.131 0.000 1.385 345 H HN 0.460 nan 8.280 nan 0.000 0.504 346 A N 0.769 123.620 122.820 0.053 0.000 1.883 346 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 346 A C 2.561 180.164 177.584 0.031 0.000 1.186 346 A CA 1.966 54.022 52.037 0.032 0.000 0.624 346 A CB -0.972 18.037 19.000 0.015 0.000 0.822 346 A HN 0.234 nan 8.150 nan 0.000 0.444 347 V N -0.424 119.503 119.914 0.022 0.000 2.295 347 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 347 V C 2.619 178.749 176.094 0.061 0.000 1.049 347 V CA 2.337 64.643 62.300 0.011 0.000 1.024 347 V CB -0.781 30.982 31.823 -0.099 0.000 0.648 347 V HN 0.572 nan 8.190 nan 0.000 0.447 348 M N 0.166 119.816 119.600 0.082 0.000 2.149 348 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 348 M C 2.250 178.585 176.300 0.057 0.000 1.064 348 M CA 1.925 57.271 55.300 0.076 0.000 1.102 348 M CB -0.656 31.943 32.600 -0.003 0.000 1.369 348 M HN 0.473 nan 8.290 nan 0.000 0.408 349 N N 0.257 118.982 118.700 0.041 0.000 2.166 349 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 349 N C 1.588 177.102 175.510 0.007 0.000 1.019 349 N CA 1.376 54.438 53.050 0.019 0.000 0.856 349 N CB 0.121 38.615 38.487 0.013 0.000 0.993 349 N HN 0.332 nan 8.380 nan 0.000 0.426 350 A N 1.259 124.105 122.820 0.042 0.000 1.897 350 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 350 A C 2.184 179.841 177.584 0.122 0.000 1.181 350 A CA 0.635 52.713 52.037 0.069 0.000 0.620 350 A CB -0.492 18.618 19.000 0.183 0.000 0.821 350 A HN 0.315 nan 8.150 nan 0.000 0.443 351 I N 0.899 121.575 120.570 0.176 0.000 2.226 351 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 351 I C 2.884 179.089 176.117 0.146 0.000 1.100 351 I CA 1.615 63.057 61.300 0.237 0.000 1.374 351 I CB -0.301 37.810 38.000 0.185 0.000 1.057 351 I HN 0.510 nan 8.210 nan 0.000 0.413 352 S N 0.494 116.230 115.700 0.060 0.000 2.382 352 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 352 S C 1.971 176.546 174.600 -0.043 0.000 1.027 352 S CA 1.227 59.438 58.200 0.019 0.000 0.991 352 S CB -0.918 62.283 63.200 0.003 0.000 0.823 352 S HN 0.253 nan 8.310 nan 0.000 0.469 353 V N 2.246 122.071 119.914 -0.148 0.000 2.244 353 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 353 V C 2.363 178.273 176.094 -0.306 0.000 1.042 353 V CA 2.252 64.369 62.300 -0.305 0.000 1.006 353 V CB -1.152 30.308 31.823 -0.606 0.000 0.641 353 V HN 0.647 nan 8.190 nan 0.000 0.446 354 H N -0.251 118.807 119.070 -0.019 0.000 2.548 354 H HA 0.513 5.068 4.556 -0.000 0.000 0.268 354 H C 0.861 176.187 175.328 -0.003 0.000 0.975 354 H CA 0.619 56.593 56.048 -0.123 0.000 1.195 354 H CB 0.116 29.621 29.762 -0.428 0.000 1.397 354 H HN 0.458 nan 8.280 nan 0.000 0.572 355 A N 1.209 124.161 122.820 0.220 0.000 3.266 355 A HA 0.228 4.548 4.320 -0.000 0.000 0.310 355 A C -2.106 175.559 177.584 0.135 0.000 1.066 355 A CA -1.045 51.130 52.037 0.230 0.000 0.839 355 A CB 0.644 19.865 19.000 0.368 0.000 1.192 355 A HN 0.027 nan 8.150 nan 0.000 0.496 356 P HA 0.025 nan 4.420 nan 0.000 0.245 356 P C 0.040 177.370 177.300 0.050 0.000 1.206 356 P CA 0.742 63.870 63.100 0.047 0.000 0.781 356 P CB 0.492 32.203 31.700 0.018 0.000 0.994 357 D N -0.752 119.687 120.400 0.065 0.000 2.355 357 D HA 0.082 4.722 4.640 -0.000 0.000 0.218 357 D C 1.740 178.084 176.300 0.073 0.000 1.004 357 D CA 0.546 54.584 54.000 0.064 0.000 0.880 357 D CB -0.010 40.834 40.800 0.074 0.000 0.911 357 D HN 0.205 nan 8.370 nan 0.000 0.528 358 L N -0.761 120.514 121.223 0.086 0.000 2.500 358 L HA 0.096 4.436 4.340 -0.000 0.000 0.219 358 L C 1.336 178.254 176.870 0.081 0.000 1.057 358 L CA 0.159 55.054 54.840 0.092 0.000 0.854 358 L CB 0.539 42.669 42.059 0.118 0.000 1.078 358 L HN 0.020 nan 8.230 nan 0.000 0.480 359 L N 0.134 121.399 121.223 0.071 0.000 2.556 359 L HA 0.179 4.519 4.340 -0.000 0.000 0.226 359 L C -0.504 176.391 176.870 0.041 0.000 1.089 359 L CA 0.440 55.316 54.840 0.061 0.000 0.864 359 L CB -1.258 40.840 42.059 0.066 0.000 1.067 359 L HN -0.006 nan 8.230 nan 0.000 0.477 360 P HA -0.234 nan 4.420 nan 0.000 0.213 360 P C 0.061 177.377 177.300 0.027 0.000 1.176 360 P CA 0.599 63.713 63.100 0.023 0.000 0.919 360 P CB -0.164 31.547 31.700 0.019 0.000 0.791 361 Q N 0.188 120.008 119.800 0.034 0.000 3.060 361 Q HA -0.168 4.172 4.340 -0.000 0.000 0.114 361 Q C -1.542 174.479 176.000 0.035 0.000 1.595 361 Q CA 0.546 56.371 55.803 0.037 0.000 0.389 361 Q CB -0.548 28.221 28.738 0.052 0.000 0.684 361 Q HN 0.240 nan 8.270 nan 0.000 0.355 362 P HA -0.078 nan 4.420 nan 0.000 0.226 362 P C 0.771 178.092 177.300 0.035 0.000 1.153 362 P CA 0.690 63.806 63.100 0.027 0.000 0.777 362 P CB 0.253 31.965 31.700 0.019 0.000 0.794 363 V N -0.357 119.582 119.914 0.042 0.000 2.719 363 V HA -0.076 4.044 4.120 -0.000 0.000 0.252 363 V C 1.386 177.528 176.094 0.079 0.000 1.065 363 V CA 0.683 63.014 62.300 0.052 0.000 1.086 363 V CB -0.599 31.251 31.823 0.046 0.000 0.700 363 V HN -0.096 nan 8.190 nan 0.000 0.467 364 V N 2.396 122.362 119.914 0.085 0.000 2.540 364 V HA 0.068 4.188 4.120 -0.000 0.000 0.297 364 V C -0.015 176.136 176.094 0.094 0.000 1.024 364 V CA 0.343 62.709 62.300 0.110 0.000 1.105 364 V CB 0.681 32.552 31.823 0.080 0.000 0.938 364 V HN 0.441 nan 8.190 nan 0.000 0.482 365 D N 6.987 127.473 120.400 0.143 0.000 2.471 365 D HA 0.377 5.017 4.640 -0.000 0.000 0.245 365 D C -1.850 174.552 176.300 0.169 0.000 1.116 365 D CA -2.249 51.828 54.000 0.128 0.000 0.853 365 D CB 2.508 43.385 40.800 0.129 0.000 1.123 365 D HN 0.141 nan 8.370 nan 0.000 0.540 366 P HA -0.075 nan 4.420 nan 0.000 0.218 366 P C 0.406 177.803 177.300 0.162 0.000 1.148 366 P CA 0.940 64.021 63.100 -0.032 0.000 0.822 366 P CB 0.376 32.091 31.700 0.024 0.000 0.784 367 D N -1.046 119.478 120.400 0.207 0.000 2.349 367 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 367 D C 0.851 177.324 176.300 0.289 0.000 1.029 367 D CA 0.257 54.412 54.000 0.258 0.000 0.879 367 D CB -0.070 40.825 40.800 0.159 0.000 0.906 367 D HN 0.258 nan 8.370 nan 0.000 0.528 368 I N 1.280 122.035 120.570 0.307 0.000 2.533 368 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 368 I C 1.040 177.284 176.117 0.212 0.000 1.109 368 I CA 0.128 61.556 61.300 0.214 0.000 1.412 368 I CB 0.635 38.742 38.000 0.178 0.000 1.396 368 I HN -0.378 nan 8.210 nan 0.000 0.543 369 R N 7.427 127.912 120.500 -0.026 0.000 2.587 369 R HA 0.186 4.526 4.340 -0.000 0.000 0.283 369 R C 0.238 176.494 176.300 -0.074 0.000 1.472 369 R CA -0.319 55.596 56.100 -0.308 0.000 1.578 369 R CB 0.278 30.056 30.300 -0.870 0.000 1.130 369 R HN 0.877 nan 8.270 nan 0.000 0.602 370 N N 1.059 119.797 118.700 0.064 0.000 2.255 370 N HA -0.157 4.583 4.740 -0.000 0.000 0.260 370 N C 0.970 176.513 175.510 0.055 0.000 1.288 370 N CA -0.311 52.753 53.050 0.024 0.000 0.894 370 N CB 0.397 38.843 38.487 -0.069 0.000 1.033 370 N HN 0.435 nan 8.380 nan 0.000 0.477 371 R N -1.069 119.410 120.500 -0.035 0.000 2.148 371 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 371 R C 2.362 178.654 176.300 -0.014 0.000 1.088 371 R CA 1.433 57.527 56.100 -0.011 0.000 0.985 371 R CB -1.016 29.275 30.300 -0.015 0.000 0.880 371 R HN 0.751 nan 8.270 nan 0.000 0.451 372 C N -0.264 118.881 119.300 -0.258 0.000 2.440 372 C HA 0.100 4.559 4.460 -0.000 0.000 0.278 372 C C 0.711 175.520 174.990 -0.303 0.000 1.295 372 C CA -1.197 57.578 59.018 -0.405 0.000 1.738 372 C CB -1.296 25.976 27.740 -0.780 0.000 1.987 372 C HN 0.537 nan 8.230 nan 0.000 0.492 373 W N 2.851 124.142 121.300 -0.016 0.000 2.692 373 W HA 0.425 5.085 4.660 -0.000 0.000 0.339 373 W C 0.235 176.759 176.519 0.008 0.000 1.415 373 W CA 0.469 57.812 57.345 -0.002 0.000 1.389 373 W CB -0.216 29.209 29.460 -0.058 0.000 1.492 373 W HN 0.317 nan 8.180 nan 0.000 0.545 374 D N 2.821 123.313 120.400 0.155 0.000 2.312 374 D HA -0.014 4.626 4.640 -0.000 0.000 0.229 374 D C 0.344 176.650 176.300 0.009 0.000 1.337 374 D CA -0.327 53.708 54.000 0.057 0.000 0.964 374 D CB 0.621 41.411 40.800 -0.016 0.000 1.456 374 D HN 0.177 nan 8.370 nan 0.000 0.547 375 D N 1.727 122.141 120.400 0.024 0.000 2.190 375 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 375 D C 1.505 177.784 176.300 -0.035 0.000 0.992 375 D CA 1.085 55.089 54.000 0.007 0.000 0.854 375 D CB 0.389 41.202 40.800 0.021 0.000 0.936 375 D HN 0.411 nan 8.370 nan 0.000 0.462 376 K N 0.016 120.378 120.400 -0.064 0.000 2.288 376 K HA 0.005 4.325 4.320 -0.000 0.000 0.201 376 K C 1.464 177.976 176.600 -0.146 0.000 1.048 376 K CA 0.707 56.938 56.287 -0.094 0.000 0.956 376 K CB 0.226 32.667 32.500 -0.099 0.000 0.746 376 K HN 0.002 nan 8.250 nan 0.000 0.461 377 K N 0.537 120.817 120.400 -0.201 0.000 2.397 377 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 377 K C -0.646 175.859 176.600 -0.159 0.000 1.022 377 K CA -0.133 55.978 56.287 -0.293 0.000 1.141 377 K CB 1.000 33.059 32.500 -0.736 0.000 0.857 377 K HN -0.028 nan 8.250 nan 0.000 0.514 378 V N -2.746 117.113 119.914 -0.092 0.000 2.789 378 V HA 0.456 4.576 4.120 -0.000 0.000 0.311 378 V C -0.525 175.531 176.094 -0.064 0.000 1.073 378 V CA -0.830 61.429 62.300 -0.068 0.000 0.921 378 V CB 2.232 34.045 31.823 -0.016 0.000 1.009 378 V HN -0.141 nan 8.190 nan 0.000 0.426 379 D N 3.107 123.454 120.400 -0.089 0.000 3.054 379 D HA 0.431 5.071 4.640 -0.000 0.000 0.209 379 D C 1.619 177.938 176.300 0.033 0.000 1.527 379 D CA 1.262 55.244 54.000 -0.030 0.000 1.427 379 D CB 0.921 41.703 40.800 -0.030 0.000 1.059 379 D HN 0.730 nan 8.370 nan 0.000 0.243 380 A N -0.530 122.320 122.820 0.049 0.000 2.030 380 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 380 A C 0.651 178.313 177.584 0.130 0.000 1.164 380 A CA 0.991 53.122 52.037 0.157 0.000 0.697 380 A CB -0.381 18.767 19.000 0.247 0.000 0.827 380 A HN 0.621 nan 8.150 nan 0.000 0.457 381 H N -1.818 117.248 119.070 -0.005 0.000 3.017 381 H HA 0.527 5.083 4.556 -0.000 0.000 0.346 381 H C -1.036 174.281 175.328 -0.018 0.000 1.286 381 H CA -0.314 55.688 56.048 -0.077 0.000 1.120 381 H CB 0.319 30.012 29.762 -0.114 0.000 1.860 381 H HN 0.445 nan 8.280 nan 0.000 0.542 382 H N 0.431 119.540 119.070 0.065 0.000 3.160 382 H HA 0.756 5.312 4.556 -0.000 0.000 0.297 382 H C -0.418 174.950 175.328 0.067 0.000 1.605 382 H CA -0.753 55.290 56.048 -0.008 0.000 1.418 382 H CB 0.893 30.610 29.762 -0.075 0.000 1.846 382 H HN 0.738 nan 8.280 nan 0.000 0.754 383 A N 0.624 123.588 122.820 0.240 0.000 2.406 383 A HA 0.281 4.601 4.320 -0.000 0.000 0.243 383 A C 0.351 178.046 177.584 0.184 0.000 1.082 383 A CA -0.489 51.637 52.037 0.147 0.000 0.786 383 A CB -0.556 18.468 19.000 0.040 0.000 1.029 383 A HN 0.536 nan 8.150 nan 0.000 0.495 384 I N 2.072 122.709 120.570 0.112 0.000 2.483 384 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 384 I C 0.173 176.358 176.117 0.114 0.000 1.112 384 I CA 0.659 62.011 61.300 0.087 0.000 1.350 384 I CB -0.568 37.459 38.000 0.046 0.000 1.419 384 I HN 0.525 nan 8.210 nan 0.000 0.523 385 I N 5.213 125.856 120.570 0.122 0.000 3.002 385 I HA 0.734 4.904 4.170 -0.000 0.000 0.310 385 I C -2.782 173.322 176.117 -0.022 0.000 1.087 385 I CA -2.810 58.506 61.300 0.027 0.000 1.017 385 I CB 1.824 39.829 38.000 0.008 0.000 1.226 385 I HN 0.120 nan 8.210 nan 0.000 0.443 386 P HA 0.289 nan 4.420 nan 0.000 0.274 386 P C -0.680 176.611 177.300 -0.016 0.000 1.260 386 P CA -0.045 63.009 63.100 -0.076 0.000 0.793 386 P CB 0.529 32.139 31.700 -0.148 0.000 1.048 387 T N -1.061 113.547 114.554 0.089 0.000 2.870 387 T HA 0.521 4.871 4.350 -0.000 0.000 0.277 387 T C 0.928 175.678 174.700 0.083 0.000 1.000 387 T CA -0.372 61.781 62.100 0.088 0.000 0.982 387 T CB 0.944 69.883 68.868 0.118 0.000 1.249 387 T HN 0.277 nan 8.240 nan 0.000 0.589 388 A N -0.105 122.756 122.820 0.069 0.000 2.275 388 A HA 0.310 4.630 4.320 -0.000 0.000 0.212 388 A C 1.109 178.747 177.584 0.089 0.000 1.201 388 A CA -0.023 52.054 52.037 0.066 0.000 0.843 388 A CB -0.377 18.643 19.000 0.033 0.000 0.873 388 A HN 0.552 nan 8.150 nan 0.000 0.492 389 R N 1.106 121.673 120.500 0.112 0.000 2.458 389 R HA 0.146 4.486 4.340 -0.000 0.000 0.303 389 R C 0.704 177.141 176.300 0.228 0.000 1.013 389 R CA 1.106 57.279 56.100 0.121 0.000 1.026 389 R CB 0.268 30.619 30.300 0.084 0.000 0.948 389 R HN 0.285 nan 8.270 nan 0.000 0.417 390 S N 0.804 116.591 115.700 0.144 0.000 2.526 390 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 390 S C -0.090 174.535 174.600 0.041 0.000 1.017 390 S CA -0.321 57.919 58.200 0.066 0.000 0.930 390 S CB 0.269 63.469 63.200 -0.001 0.000 0.856 390 S HN 0.522 nan 8.310 nan 0.000 0.497 391 S N 3.210 118.969 115.700 0.098 0.000 2.629 391 S HA 0.406 4.876 4.470 -0.000 0.000 0.302 391 S C 0.604 175.276 174.600 0.120 0.000 1.244 391 S CA -0.140 58.104 58.200 0.073 0.000 1.098 391 S CB -0.081 63.153 63.200 0.056 0.000 0.858 391 S HN 0.708 nan 8.310 nan 0.000 0.502 392 A N 4.479 127.324 122.820 0.042 0.000 2.583 392 A HA 0.229 4.549 4.320 -0.000 0.000 0.249 392 A C 0.184 177.790 177.584 0.037 0.000 1.035 392 A CA 0.288 52.345 52.037 0.033 0.000 0.777 392 A CB -0.513 18.481 19.000 -0.010 0.000 0.942 392 A HN 0.821 nan 8.150 nan 0.000 0.516 393 I N 2.654 123.241 120.570 0.029 0.000 2.608 393 I HA 0.238 4.408 4.170 -0.000 0.000 0.295 393 I C -0.486 175.546 176.117 -0.142 0.000 1.049 393 I CA -0.795 60.448 61.300 -0.095 0.000 1.063 393 I CB 2.173 40.025 38.000 -0.247 0.000 1.248 393 I HN 0.581 nan 8.210 nan 0.000 0.424 394 N N 6.791 125.400 118.700 -0.152 0.000 2.419 394 N HA 0.523 5.263 4.740 -0.000 0.000 0.264 394 N C -1.179 174.209 175.510 -0.205 0.000 1.031 394 N CA -0.216 52.756 53.050 -0.130 0.000 0.951 394 N CB 1.418 39.867 38.487 -0.063 0.000 1.101 394 N HN 0.357 nan 8.380 nan 0.000 0.488 395 L N 1.054 122.164 121.223 -0.188 0.000 2.365 395 L HA 0.440 4.780 4.340 -0.000 0.000 0.273 395 L C 1.101 177.917 176.870 -0.091 0.000 1.000 395 L CA -1.051 53.679 54.840 -0.183 0.000 0.819 395 L CB 1.770 43.690 42.059 -0.232 0.000 1.284 395 L HN 0.444 nan 8.230 nan 0.000 0.418 396 T N -2.728 111.794 114.554 -0.053 0.000 2.856 396 T HA 0.002 4.352 4.350 -0.000 0.000 0.306 396 T C 1.037 175.700 174.700 -0.061 0.000 1.062 396 T CA -0.133 61.941 62.100 -0.044 0.000 1.083 396 T CB 1.176 70.026 68.868 -0.029 0.000 0.984 396 T HN 0.847 nan 8.240 nan 0.000 0.542 397 E N 1.312 121.472 120.200 -0.066 0.000 2.114 397 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 397 E C 1.644 178.164 176.600 -0.135 0.000 1.008 397 E CA 1.902 58.248 56.400 -0.091 0.000 0.810 397 E CB -0.218 29.431 29.700 -0.085 0.000 0.739 397 E HN 0.715 nan 8.360 nan 0.000 0.456 398 N N 0.489 119.114 118.700 -0.125 0.000 2.188 398 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 398 N C 1.480 176.929 175.510 -0.102 0.000 1.018 398 N CA 1.376 54.336 53.050 -0.151 0.000 0.858 398 N CB -0.100 38.326 38.487 -0.101 0.000 0.989 398 N HN 0.319 nan 8.380 nan 0.000 0.426 399 E N 0.496 120.664 120.200 -0.053 0.000 2.051 399 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 399 E C 1.969 178.576 176.600 0.012 0.000 0.991 399 E CA 1.184 57.580 56.400 -0.008 0.000 0.799 399 E CB -0.164 29.534 29.700 -0.004 0.000 0.748 399 E HN 0.369 nan 8.360 nan 0.000 0.449 400 A N 2.278 125.081 122.820 -0.029 0.000 1.849 400 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 400 A C 1.959 179.561 177.584 0.030 0.000 1.202 400 A CA 1.786 53.831 52.037 0.013 0.000 0.629 400 A CB -0.454 18.530 19.000 -0.027 0.000 0.834 400 A HN 0.025 nan 8.150 nan 0.000 0.447 401 K N -0.410 119.917 120.400 -0.122 0.000 2.015 401 K HA -0.208 4.112 4.320 -0.000 0.000 0.220 401 K C 1.999 178.612 176.600 0.022 0.000 1.055 401 K CA 1.791 57.931 56.287 -0.246 0.000 0.951 401 K CB -1.487 30.487 32.500 -0.877 0.000 0.725 401 K HN 0.358 nan 8.250 nan 0.000 0.449 402 V N 0.690 120.622 119.914 0.031 0.000 2.287 402 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 402 V C 2.334 178.516 176.094 0.147 0.000 1.053 402 V CA 1.971 64.330 62.300 0.099 0.000 1.027 402 V CB -0.714 31.143 31.823 0.055 0.000 0.646 402 V HN 0.234 nan 8.190 nan 0.000 0.447 403 Y N 1.470 121.798 120.300 0.047 0.000 2.128 403 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 403 Y C 2.476 178.443 175.900 0.110 0.000 1.154 403 Y CA 2.217 60.355 58.100 0.065 0.000 1.149 403 Y CB -0.512 37.965 38.460 0.028 0.000 0.976 403 Y HN 0.318 nan 8.280 nan 0.000 0.505 404 N N -0.204 118.634 118.700 0.230 0.000 2.036 404 N HA -0.260 4.479 4.740 -0.000 0.000 0.199 404 N C 1.604 177.201 175.510 0.145 0.000 1.036 404 N CA 2.173 55.331 53.050 0.180 0.000 0.870 404 N CB -0.577 38.037 38.487 0.212 0.000 1.055 404 N HN 0.261 nan 8.380 nan 0.000 0.436 405 L N 0.612 121.967 121.223 0.219 0.000 1.997 405 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 405 L C 2.079 179.143 176.870 0.323 0.000 1.074 405 L CA 1.546 56.577 54.840 0.319 0.000 0.763 405 L CB -0.903 41.351 42.059 0.325 0.000 0.890 405 L HN 0.309 nan 8.230 nan 0.000 0.434 406 I N -1.046 119.637 120.570 0.187 0.000 2.127 406 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 406 I C 2.609 178.714 176.117 -0.019 0.000 1.075 406 I CA 1.491 62.864 61.300 0.121 0.000 1.334 406 I CB -0.731 37.264 38.000 -0.010 0.000 1.040 406 I HN 0.260 nan 8.210 nan 0.000 0.405 407 A N 0.574 123.281 122.820 -0.188 0.000 1.873 407 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 407 A C 2.469 180.103 177.584 0.082 0.000 1.193 407 A CA 2.244 54.217 52.037 -0.107 0.000 0.629 407 A CB -0.802 18.088 19.000 -0.182 0.000 0.826 407 A HN 0.367 nan 8.150 nan 0.000 0.447 408 R N -1.104 119.446 120.500 0.084 0.000 2.083 408 R HA -0.241 4.099 4.340 -0.000 0.000 0.237 408 R C 2.477 178.809 176.300 0.052 0.000 1.137 408 R CA 2.070 58.232 56.100 0.104 0.000 0.951 408 R CB -0.320 30.055 30.300 0.125 0.000 0.851 408 R HN 0.590 nan 8.270 nan 0.000 0.434 409 Q N -0.651 119.113 119.800 -0.059 0.000 2.061 409 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 409 Q C 1.763 177.687 176.000 -0.128 0.000 0.984 409 Q CA 2.139 57.781 55.803 -0.268 0.000 0.846 409 Q CB -0.462 27.839 28.738 -0.729 0.000 0.902 409 Q HN 0.510 nan 8.270 nan 0.000 0.421 410 Y N 0.002 120.234 120.300 -0.113 0.000 2.145 410 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 410 Y C 1.646 177.637 175.900 0.153 0.000 1.145 410 Y CA 1.783 59.880 58.100 -0.004 0.000 1.148 410 Y CB -0.232 38.267 38.460 0.065 0.000 0.981 410 Y HN 0.126 nan 8.280 nan 0.000 0.507 411 L N -0.486 120.882 121.223 0.242 0.000 2.042 411 L HA -0.329 4.011 4.340 -0.000 0.000 0.210 411 L C 2.574 179.544 176.870 0.166 0.000 1.076 411 L CA 1.892 56.873 54.840 0.235 0.000 0.749 411 L CB -0.704 41.474 42.059 0.199 0.000 0.893 411 L HN 0.333 nan 8.230 nan 0.000 0.432 412 M N -0.835 118.807 119.600 0.069 0.000 2.103 412 M HA -0.305 4.175 4.480 -0.000 0.000 0.255 412 M C 2.264 178.524 176.300 -0.067 0.000 1.074 412 M CA 1.703 57.023 55.300 0.033 0.000 1.090 412 M CB -0.470 32.083 32.600 -0.078 0.000 1.325 412 M HN 0.175 nan 8.290 nan 0.000 0.403 413 Q N -0.550 119.107 119.800 -0.239 0.000 2.389 413 Q HA -0.115 4.225 4.340 -0.000 0.000 0.213 413 Q C 0.899 176.625 176.000 -0.457 0.000 0.989 413 Q CA 1.465 57.011 55.803 -0.428 0.000 0.891 413 Q CB -0.393 27.924 28.738 -0.700 0.000 0.923 413 Q HN 0.550 nan 8.270 nan 0.000 0.455 414 F N -2.087 117.863 119.950 -0.001 0.000 2.668 414 F HA 0.221 4.748 4.527 -0.000 0.000 0.301 414 F C 0.087 175.922 175.800 0.059 0.000 1.106 414 F CA -0.622 57.408 58.000 0.050 0.000 1.289 414 F CB 0.434 39.444 39.000 0.017 0.000 1.006 414 F HN -0.199 nan 8.300 nan 0.000 0.535 415 C N 2.070 121.475 119.300 0.176 0.000 2.456 415 C HA 0.539 4.999 4.460 -0.000 0.000 0.325 415 C C -1.890 173.189 174.990 0.148 0.000 1.217 415 C CA -1.788 57.331 59.018 0.169 0.000 1.687 415 C CB 1.551 29.416 27.740 0.208 0.000 2.270 415 C HN 0.081 nan 8.230 nan 0.000 0.499 416 P HA 0.090 nan 4.420 nan 0.000 0.270 416 P C -0.638 176.765 177.300 0.171 0.000 1.223 416 P CA 0.171 63.338 63.100 0.111 0.000 0.785 416 P CB 0.486 32.228 31.700 0.070 0.000 0.923 417 D N -0.314 120.180 120.400 0.156 0.000 2.449 417 D HA 0.203 4.843 4.640 -0.000 0.000 0.236 417 D C 0.529 176.902 176.300 0.123 0.000 1.149 417 D CA 0.397 54.533 54.000 0.227 0.000 0.878 417 D CB 0.221 41.108 40.800 0.145 0.000 1.198 417 D HN 0.377 nan 8.370 nan 0.000 0.446 418 A N 1.531 124.413 122.820 0.104 0.000 2.371 418 A HA 0.450 4.770 4.320 -0.000 0.000 0.257 418 A C -0.235 177.257 177.584 -0.154 0.000 1.089 418 A CA -0.506 51.405 52.037 -0.209 0.000 0.794 418 A CB 0.684 19.405 19.000 -0.465 0.000 1.029 418 A HN 0.329 nan 8.150 nan 0.000 0.488 419 V N 2.204 121.925 119.914 -0.320 0.000 2.487 419 V HA 0.423 4.543 4.120 -0.000 0.000 0.298 419 V C -1.102 174.708 176.094 -0.473 0.000 1.028 419 V CA -0.196 61.961 62.300 -0.239 0.000 0.860 419 V CB 1.108 32.842 31.823 -0.150 0.000 0.991 419 V HN 0.708 nan 8.190 nan 0.000 0.427 420 F N 3.502 123.372 119.950 -0.133 0.000 2.427 420 F HA 0.637 5.164 4.527 -0.000 0.000 0.346 420 F C 0.445 176.087 175.800 -0.264 0.000 1.120 420 F CA -0.593 57.290 58.000 -0.196 0.000 1.033 420 F CB 1.560 40.480 39.000 -0.133 0.000 1.126 420 F HN 0.367 nan 8.300 nan 0.000 0.462 421 R N 4.042 124.344 120.500 -0.331 0.000 2.196 421 R HA 0.285 4.625 4.340 -0.000 0.000 0.340 421 R C -0.938 175.144 176.300 -0.363 0.000 1.043 421 R CA -0.286 55.526 56.100 -0.479 0.000 0.883 421 R CB 0.472 30.186 30.300 -0.977 0.000 1.078 421 R HN 0.566 nan 8.270 nan 0.000 0.462 422 K N 5.037 125.337 120.400 -0.167 0.000 2.358 422 K HA 0.384 4.704 4.320 -0.000 0.000 0.260 422 K C -1.756 174.786 176.600 -0.098 0.000 0.956 422 K CA -0.697 55.535 56.287 -0.092 0.000 0.834 422 K CB 1.282 33.745 32.500 -0.062 0.000 1.102 422 K HN 0.743 nan 8.250 nan 0.000 0.431 423 C N 4.673 123.925 119.300 -0.079 0.000 2.396 423 C HA 0.649 5.109 4.460 -0.000 0.000 0.321 423 C C -1.121 173.760 174.990 -0.180 0.000 1.233 423 C CA -0.422 58.492 59.018 -0.172 0.000 1.440 423 C CB 0.483 28.134 27.740 -0.148 0.000 2.110 423 C HN 0.525 nan 8.230 nan 0.000 0.473 424 V N 7.636 127.401 119.914 -0.248 0.000 2.409 424 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 424 V C -0.110 175.880 176.094 -0.173 0.000 1.020 424 V CA -0.267 61.940 62.300 -0.155 0.000 0.848 424 V CB 1.397 33.165 31.823 -0.090 0.000 0.990 424 V HN 0.788 nan 8.190 nan 0.000 0.430 425 I N 4.121 124.657 120.570 -0.057 0.000 2.355 425 I HA 0.440 4.610 4.170 -0.000 0.000 0.288 425 I C 0.070 176.273 176.117 0.143 0.000 0.999 425 I CA -0.334 61.001 61.300 0.057 0.000 1.163 425 I CB 1.456 39.508 38.000 0.086 0.000 1.316 425 I HN 0.604 nan 8.210 nan 0.000 0.454 426 E N 7.423 127.708 120.200 0.141 0.000 2.134 426 E HA 0.540 4.890 4.350 -0.000 0.000 0.278 426 E C -1.082 175.628 176.600 0.183 0.000 0.959 426 E CA -0.598 55.897 56.400 0.157 0.000 0.783 426 E CB 1.783 31.552 29.700 0.114 0.000 1.095 426 E HN 0.442 nan 8.360 nan 0.000 0.399 427 L N 1.720 123.076 121.223 0.221 0.000 2.334 427 L HA 0.526 4.866 4.340 -0.000 0.000 0.270 427 L C -0.240 176.753 176.870 0.206 0.000 1.018 427 L CA -1.106 53.848 54.840 0.190 0.000 0.811 427 L CB 1.097 43.245 42.059 0.148 0.000 1.271 427 L HN 0.285 nan 8.230 nan 0.000 0.443 428 D N 2.015 122.503 120.400 0.145 0.000 2.414 428 D HA 0.592 5.232 4.640 -0.000 0.000 0.232 428 D C -0.779 175.571 176.300 0.084 0.000 1.070 428 D CA 0.095 54.184 54.000 0.149 0.000 0.839 428 D CB 1.498 42.364 40.800 0.111 0.000 1.079 428 D HN 0.283 nan 8.370 nan 0.000 0.521 429 I N 1.318 121.947 120.570 0.097 0.000 2.418 429 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 429 I C 0.562 176.704 176.117 0.041 0.000 1.008 429 I CA -1.082 60.189 61.300 -0.048 0.000 1.104 429 I CB 1.950 39.732 38.000 -0.364 0.000 1.264 429 I HN 0.450 nan 8.210 nan 0.000 0.438 430 A N 5.049 127.871 122.820 0.003 0.000 2.704 430 A HA -0.296 4.024 4.320 -0.000 0.000 0.299 430 A C 1.099 178.715 177.584 0.053 0.000 1.507 430 A CA 1.608 53.650 52.037 0.008 0.000 0.776 430 A CB -1.678 17.299 19.000 -0.039 0.000 1.027 430 A HN 1.001 nan 8.150 nan 0.000 0.475 431 K N -4.309 116.141 120.400 0.082 0.000 3.583 431 K HA -0.184 4.136 4.320 -0.000 0.000 0.287 431 K C 0.666 177.360 176.600 0.157 0.000 1.269 431 K CA 1.534 57.883 56.287 0.102 0.000 0.998 431 K CB -1.757 30.791 32.500 0.079 0.000 1.284 431 K HN 1.983 nan 8.250 nan 0.000 0.472 432 G N 1.358 110.296 108.800 0.229 0.000 2.415 432 G HA2 0.482 4.442 3.960 -0.000 0.000 0.327 432 G HA3 0.482 4.442 3.960 -0.000 0.000 0.327 432 G C -0.771 174.378 174.900 0.414 0.000 1.182 432 G CA -0.822 44.473 45.100 0.326 0.000 0.924 432 G HN -0.015 nan 8.290 nan 0.000 0.470 433 K N 2.077 122.654 120.400 0.294 0.000 2.339 433 K HA 0.299 4.619 4.320 -0.000 0.000 0.286 433 K C -1.158 175.601 176.600 0.265 0.000 1.050 433 K CA -0.158 56.293 56.287 0.272 0.000 0.956 433 K CB 1.136 33.722 32.500 0.144 0.000 0.990 433 K HN 0.239 nan 8.250 nan 0.000 0.475 434 F N 0.881 120.931 119.950 0.166 0.000 2.507 434 F HA 0.422 4.949 4.527 -0.000 0.000 0.327 434 F C 0.271 176.147 175.800 0.126 0.000 1.068 434 F CA -1.111 56.989 58.000 0.165 0.000 0.965 434 F CB 1.737 40.828 39.000 0.151 0.000 1.192 434 F HN 0.103 nan 8.300 nan 0.000 0.476 435 V N 1.271 121.343 119.914 0.264 0.000 2.823 435 V HA 0.895 5.015 4.120 -0.000 0.000 0.312 435 V C -0.964 175.253 176.094 0.205 0.000 1.072 435 V CA -0.886 61.525 62.300 0.186 0.000 0.937 435 V CB 1.958 33.839 31.823 0.096 0.000 1.013 435 V HN 0.909 nan 8.190 nan 0.000 0.430 436 A N 4.814 127.750 122.820 0.193 0.000 2.408 436 A HA 0.887 5.207 4.320 -0.000 0.000 0.295 436 A C -0.860 176.786 177.584 0.103 0.000 1.040 436 A CA -0.732 51.428 52.037 0.205 0.000 0.707 436 A CB 1.508 20.747 19.000 0.398 0.000 1.235 436 A HN 0.729 nan 8.150 nan 0.000 0.418 437 K N 0.721 121.169 120.400 0.080 0.000 2.466 437 K HA 0.927 5.246 4.320 -0.000 0.000 0.260 437 K C -0.920 175.712 176.600 0.054 0.000 1.011 437 K CA -0.752 55.556 56.287 0.037 0.000 0.871 437 K CB 2.470 34.982 32.500 0.020 0.000 1.404 437 K HN 1.463 nan 8.250 nan 0.000 0.450 438 A N 1.217 124.073 122.820 0.059 0.000 2.513 438 A HA 0.599 4.919 4.320 -0.000 0.000 0.296 438 A C -1.500 176.176 177.584 0.153 0.000 1.052 438 A CA -0.766 51.346 52.037 0.124 0.000 0.714 438 A CB 1.737 20.835 19.000 0.162 0.000 1.279 438 A HN 0.721 nan 8.150 nan 0.000 0.397 439 R N 1.379 121.984 120.500 0.174 0.000 2.561 439 R HA 0.796 5.136 4.340 -0.000 0.000 0.297 439 R C -1.646 174.842 176.300 0.314 0.000 0.969 439 R CA -0.531 55.653 56.100 0.140 0.000 0.879 439 R CB 1.184 31.501 30.300 0.028 0.000 1.178 439 R HN 1.090 nan 8.270 nan 0.000 0.445 440 F N 1.933 122.002 119.950 0.199 0.000 2.635 440 F HA 0.365 4.892 4.527 -0.000 0.000 0.314 440 F C -1.651 174.198 175.800 0.081 0.000 1.119 440 F CA -1.258 56.837 58.000 0.158 0.000 1.000 440 F CB 0.971 40.007 39.000 0.059 0.000 1.278 440 F HN 0.254 nan 8.300 nan 0.000 0.446 441 L N 3.442 124.699 121.223 0.056 0.000 2.584 441 L HA 0.292 4.632 4.340 -0.000 0.000 0.272 441 L C 0.910 177.674 176.870 -0.178 0.000 1.195 441 L CA 0.490 55.096 54.840 -0.389 0.000 0.920 441 L CB 1.400 43.239 42.059 -0.367 0.000 1.173 441 L HN 1.093 nan 8.230 nan 0.000 0.489 442 A N 3.967 126.596 122.820 -0.319 0.000 2.055 442 A HA 0.149 4.469 4.320 -0.000 0.000 0.205 442 A C 0.601 178.097 177.584 -0.147 0.000 1.235 442 A CA 0.190 52.130 52.037 -0.161 0.000 0.822 442 A CB 0.306 19.175 19.000 -0.218 0.000 0.903 442 A HN 0.717 nan 8.150 nan 0.000 0.473 443 E N -0.766 119.297 120.200 -0.228 0.000 2.325 443 E HA 0.574 4.924 4.350 -0.000 0.000 0.248 443 E C 0.481 176.929 176.600 -0.253 0.000 0.912 443 E CA 0.165 56.457 56.400 -0.180 0.000 0.782 443 E CB 1.622 31.243 29.700 -0.132 0.000 1.264 443 E HN 0.290 nan 8.360 nan 0.000 0.417 444 A N 3.389 126.070 122.820 -0.231 0.000 1.933 444 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 444 A C 1.609 179.009 177.584 -0.307 0.000 1.175 444 A CA 1.549 53.409 52.037 -0.295 0.000 0.628 444 A CB -1.059 17.815 19.000 -0.211 0.000 0.814 444 A HN 0.878 nan 8.150 nan 0.000 0.444 445 G N -0.373 108.325 108.800 -0.170 0.000 2.652 445 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.318 445 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.318 445 G C 1.101 175.968 174.900 -0.056 0.000 1.295 445 G CA 1.581 46.633 45.100 -0.081 0.000 0.999 445 G HN 1.316 nan 8.290 nan 0.000 0.548 446 W N 1.647 122.938 121.300 -0.016 0.000 2.305 446 W HA -0.163 4.497 4.660 -0.000 0.000 0.308 446 W C 2.208 178.724 176.519 -0.005 0.000 1.226 446 W CA 1.640 58.980 57.345 -0.009 0.000 1.253 446 W CB -0.835 28.611 29.460 -0.022 0.000 1.146 446 W HN 0.541 nan 8.180 nan 0.000 0.507 447 R N 1.050 121.024 120.500 -0.877 0.000 2.377 447 R HA -0.066 4.274 4.340 -0.000 0.000 0.207 447 R C 2.081 178.222 176.300 -0.266 0.000 1.075 447 R CA 1.651 57.328 56.100 -0.705 0.000 1.035 447 R CB -0.850 28.931 30.300 -0.865 0.000 0.857 447 R HN 0.284 nan 8.270 nan 0.000 0.475 448 T N 0.745 115.210 114.554 -0.149 0.000 2.821 448 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 448 T C 1.945 176.644 174.700 -0.002 0.000 1.046 448 T CA 0.698 62.759 62.100 -0.064 0.000 1.139 448 T CB -0.168 68.680 68.868 -0.034 0.000 0.871 448 T HN 0.170 nan 8.240 nan 0.000 0.454 449 L N 0.248 121.499 121.223 0.047 0.000 2.127 449 L HA 0.034 4.374 4.340 -0.000 0.000 0.211 449 L C 1.182 178.108 176.870 0.093 0.000 1.089 449 L CA 0.728 55.625 54.840 0.094 0.000 0.757 449 L CB -0.838 41.313 42.059 0.154 0.000 0.899 449 L HN 0.264 nan 8.230 nan 0.000 0.434 450 L N -0.782 120.483 121.223 0.071 0.000 2.476 450 L HA 0.216 4.556 4.340 -0.000 0.000 0.255 450 L C 1.022 177.917 176.870 0.041 0.000 1.218 450 L CA -0.309 54.573 54.840 0.070 0.000 0.819 450 L CB -0.074 42.013 42.059 0.046 0.000 1.119 450 L HN -0.045 nan 8.230 nan 0.000 0.485 451 G N -0.701 108.126 108.800 0.045 0.000 2.572 451 G HA2 0.219 4.179 3.960 -0.000 0.000 0.261 451 G HA3 0.219 4.179 3.960 -0.000 0.000 0.261 451 G C 0.871 175.782 174.900 0.018 0.000 1.197 451 G CA 0.189 45.311 45.100 0.037 0.000 0.870 451 G HN 0.742 nan 8.290 nan 0.000 0.548 452 S N 0.232 115.941 115.700 0.015 0.000 2.401 452 S HA -0.258 4.212 4.470 -0.000 0.000 0.236 452 S C 2.318 176.924 174.600 0.009 0.000 1.058 452 S CA 2.165 60.369 58.200 0.007 0.000 1.151 452 S CB -0.408 62.798 63.200 0.010 0.000 1.049 452 S HN 0.558 nan 8.310 nan 0.000 0.432 453 K N 0.762 121.171 120.400 0.015 0.000 2.020 453 K HA -0.144 4.176 4.320 -0.000 0.000 0.212 453 K C 2.377 178.988 176.600 0.018 0.000 1.050 453 K CA 2.066 58.363 56.287 0.017 0.000 0.929 453 K CB -0.700 31.810 32.500 0.017 0.000 0.714 453 K HN 0.630 nan 8.250 nan 0.000 0.443 454 E N 0.051 120.262 120.200 0.018 0.000 2.058 454 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 454 E C 2.236 178.844 176.600 0.014 0.000 0.997 454 E CA 0.758 57.173 56.400 0.024 0.000 0.801 454 E CB -0.065 29.655 29.700 0.034 0.000 0.746 454 E HN 0.208 nan 8.360 nan 0.000 0.450 455 R N 0.896 121.388 120.500 -0.013 0.000 2.136 455 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 455 R C 0.878 177.166 176.300 -0.021 0.000 1.131 455 R CA 2.070 58.135 56.100 -0.059 0.000 0.937 455 R CB -0.235 30.027 30.300 -0.064 0.000 0.863 455 R HN 0.118 nan 8.270 nan 0.000 0.435 456 D N -0.004 120.403 120.400 0.012 0.000 2.325 456 D HA -0.055 4.585 4.640 -0.000 0.000 0.234 456 D C 1.403 177.747 176.300 0.073 0.000 1.122 456 D CA 0.335 54.367 54.000 0.053 0.000 0.850 456 D CB 0.067 40.891 40.800 0.040 0.000 0.921 456 D HN 0.593 nan 8.370 nan 0.000 0.513 457 E N 1.096 121.334 120.200 0.063 0.000 2.153 457 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 457 E C 1.068 177.704 176.600 0.059 0.000 0.988 457 E CA 0.950 57.383 56.400 0.055 0.000 0.811 457 E CB -0.142 29.584 29.700 0.044 0.000 0.746 457 E HN 0.247 nan 8.360 nan 0.000 0.466 458 E N 0.709 120.960 120.200 0.084 0.000 2.481 458 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 458 E C -0.198 176.438 176.600 0.061 0.000 1.047 458 E CA -0.276 56.133 56.400 0.016 0.000 0.867 458 E CB -0.041 29.585 29.700 -0.124 0.000 0.858 458 E HN 0.363 nan 8.360 nan 0.000 0.513 459 N N 2.189 120.989 118.700 0.166 0.000 2.412 459 N HA 0.001 4.741 4.740 -0.000 0.000 0.258 459 N C -0.624 174.951 175.510 0.108 0.000 1.236 459 N CA 0.299 53.461 53.050 0.187 0.000 0.882 459 N CB 0.397 38.994 38.487 0.185 0.000 1.066 459 N HN -0.026 nan 8.380 nan 0.000 0.465 460 D N 1.531 121.997 120.400 0.110 0.000 2.479 460 D HA 0.451 5.091 4.640 -0.000 0.000 0.246 460 D C -0.310 176.039 176.300 0.081 0.000 1.336 460 D CA 0.032 54.074 54.000 0.069 0.000 0.967 460 D CB 0.702 41.522 40.800 0.034 0.000 1.275 460 D HN 0.750 nan 8.370 nan 0.000 0.577 461 G N 1.979 110.819 108.800 0.067 0.000 2.629 461 G HA2 0.088 4.048 3.960 -0.000 0.000 0.686 461 G HA3 0.088 4.048 3.960 -0.000 0.000 0.686 461 G C -0.287 174.643 174.900 0.050 0.000 1.232 461 G CA -0.480 44.657 45.100 0.062 0.000 0.803 461 G HN 0.621 nan 8.290 nan 0.000 0.638 462 T N 1.641 116.216 114.554 0.035 0.000 2.909 462 T HA 0.626 4.976 4.350 -0.000 0.000 0.289 462 T C -2.139 172.556 174.700 -0.009 0.000 1.005 462 T CA -0.933 61.167 62.100 0.001 0.000 1.084 462 T CB 1.469 70.344 68.868 0.012 0.000 0.975 462 T HN 0.552 nan 8.240 nan 0.000 0.509 463 P HA 0.268 nan 4.420 nan 0.000 0.269 463 P C -0.662 176.605 177.300 -0.055 0.000 1.209 463 P CA -0.329 62.706 63.100 -0.108 0.000 0.776 463 P CB 0.390 31.926 31.700 -0.274 0.000 0.876 464 L N 3.602 124.798 121.223 -0.046 0.000 2.334 464 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 464 L C -1.754 175.059 176.870 -0.095 0.000 1.018 464 L CA -2.105 52.647 54.840 -0.147 0.000 0.811 464 L CB 0.946 42.870 42.059 -0.226 0.000 1.271 464 L HN 0.319 nan 8.230 nan 0.000 0.443 465 P HA 0.170 nan 4.420 nan 0.000 0.276 465 P C -0.874 176.423 177.300 -0.005 0.000 1.252 465 P CA -0.401 62.659 63.100 -0.066 0.000 0.802 465 P CB 1.070 32.732 31.700 -0.063 0.000 1.035 466 V N 1.761 121.667 119.914 -0.013 0.000 2.432 466 V HA 0.228 4.348 4.120 -0.000 0.000 0.271 466 V C 0.643 176.609 176.094 -0.213 0.000 1.046 466 V CA -0.108 62.135 62.300 -0.095 0.000 0.945 466 V CB 1.030 32.797 31.823 -0.094 0.000 0.992 466 V HN 0.321 nan 8.190 nan 0.000 0.471 467 V N 3.789 123.440 119.914 -0.439 0.000 3.040 467 V HA 0.960 5.080 4.120 -0.000 0.000 0.312 467 V C -0.086 175.716 176.094 -0.486 0.000 1.115 467 V CA -0.314 61.821 62.300 -0.275 0.000 0.998 467 V CB 2.447 34.253 31.823 -0.029 0.000 1.042 467 V HN 1.022 nan 8.190 nan 0.000 0.433 468 A N 2.688 125.374 122.820 -0.223 0.000 2.454 468 A HA 0.679 4.999 4.320 -0.000 0.000 0.302 468 A C -0.558 177.011 177.584 -0.024 0.000 1.079 468 A CA -0.793 51.137 52.037 -0.178 0.000 0.731 468 A CB 1.436 20.343 19.000 -0.155 0.000 1.299 468 A HN 0.782 nan 8.150 nan 0.000 0.413 469 K N 0.347 120.763 120.400 0.028 0.000 2.466 469 K HA 0.271 4.591 4.320 -0.000 0.000 0.278 469 K C 1.126 177.746 176.600 0.034 0.000 1.048 469 K CA 1.686 58.007 56.287 0.056 0.000 1.088 469 K CB -0.211 32.326 32.500 0.062 0.000 0.884 469 K HN 1.849 nan 8.250 nan 0.000 0.478 470 G N 3.461 112.287 108.800 0.043 0.000 2.259 470 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 470 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 470 G C -0.524 174.393 174.900 0.028 0.000 1.001 470 G CA 0.003 45.122 45.100 0.032 0.000 0.627 470 G HN 0.725 nan 8.290 nan 0.000 0.501 471 D N 1.181 121.597 120.400 0.027 0.000 2.472 471 D HA 0.414 5.054 4.640 -0.000 0.000 0.237 471 D C 0.564 176.885 176.300 0.035 0.000 1.141 471 D CA 0.421 54.436 54.000 0.024 0.000 0.875 471 D CB 0.938 41.750 40.800 0.021 0.000 1.192 471 D HN 0.581 nan 8.370 nan 0.000 0.450 472 E N 2.524 122.739 120.200 0.025 0.000 2.014 472 E HA 0.274 4.624 4.350 -0.000 0.000 0.275 472 E C -0.684 175.930 176.600 0.023 0.000 0.997 472 E CA -0.508 55.905 56.400 0.020 0.000 0.804 472 E CB 0.095 29.801 29.700 0.010 0.000 1.090 472 E HN 0.337 nan 8.360 nan 0.000 0.401 473 L N 3.200 124.443 121.223 0.032 0.000 2.440 473 L HA 0.532 4.872 4.340 -0.000 0.000 0.262 473 L C -0.383 176.480 176.870 -0.012 0.000 1.072 473 L CA -1.448 53.413 54.840 0.034 0.000 0.798 473 L CB 0.536 42.649 42.059 0.090 0.000 1.307 473 L HN 0.515 nan 8.230 nan 0.000 0.475 474 L N 0.734 121.938 121.223 -0.031 0.000 2.349 474 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 474 L C -0.504 176.299 176.870 -0.111 0.000 0.996 474 L CA -0.209 54.593 54.840 -0.063 0.000 0.825 474 L CB 1.411 43.444 42.059 -0.044 0.000 1.243 474 L HN 0.685 nan 8.230 nan 0.000 0.412 475 C N 4.596 123.810 119.300 -0.143 0.000 2.520 475 C HA 0.174 4.634 4.460 -0.000 0.000 0.369 475 C C 1.595 176.508 174.990 -0.128 0.000 1.244 475 C CA -0.156 58.754 59.018 -0.179 0.000 1.677 475 C CB -0.887 26.707 27.740 -0.243 0.000 2.324 475 C HN 1.067 nan 8.230 nan 0.000 0.557 476 E N 2.587 122.726 120.200 -0.102 0.000 2.208 476 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 476 E C 0.633 177.173 176.600 -0.100 0.000 0.988 476 E CA 0.921 57.272 56.400 -0.082 0.000 0.828 476 E CB 0.198 29.865 29.700 -0.055 0.000 0.763 476 E HN 0.804 nan 8.360 nan 0.000 0.478 477 K N -1.343 118.991 120.400 -0.109 0.000 2.927 477 K HA 0.140 4.460 4.320 -0.000 0.000 0.305 477 K C -1.291 175.250 176.600 -0.098 0.000 1.129 477 K CA -0.023 56.186 56.287 -0.130 0.000 0.898 477 K CB 0.098 32.498 32.500 -0.166 0.000 1.401 477 K HN 0.031 nan 8.250 nan 0.000 0.372 478 G N 0.993 109.746 108.800 -0.079 0.000 2.509 478 G HA2 0.658 4.618 3.960 -0.000 0.000 0.328 478 G HA3 0.658 4.618 3.960 -0.000 0.000 0.328 478 G C -1.122 173.777 174.900 -0.001 0.000 1.194 478 G CA -0.504 44.599 45.100 0.005 0.000 0.967 478 G HN 0.794 nan 8.290 nan 0.000 0.488 479 E N -0.979 119.270 120.200 0.082 0.000 2.366 479 E HA 0.490 4.840 4.350 -0.000 0.000 0.278 479 E C -1.611 175.041 176.600 0.087 0.000 0.923 479 E CA -0.863 55.574 56.400 0.062 0.000 0.761 479 E CB 2.220 31.974 29.700 0.090 0.000 1.231 479 E HN 0.273 nan 8.360 nan 0.000 0.443 480 V N 2.643 122.589 119.914 0.054 0.000 2.406 480 V HA 0.250 4.370 4.120 -0.000 0.000 0.272 480 V C -0.168 175.991 176.094 0.107 0.000 1.043 480 V CA -0.702 61.644 62.300 0.076 0.000 0.915 480 V CB 1.194 33.023 31.823 0.010 0.000 0.988 480 V HN 0.543 nan 8.190 nan 0.000 0.466 481 V N 5.110 125.104 119.914 0.134 0.000 2.370 481 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 481 V C 0.227 176.375 176.094 0.091 0.000 1.029 481 V CA -0.658 61.694 62.300 0.087 0.000 0.870 481 V CB 1.234 33.083 31.823 0.043 0.000 0.984 481 V HN 0.911 nan 8.190 nan 0.000 0.451 482 E N 5.027 125.272 120.200 0.075 0.000 2.229 482 E HA 0.544 4.894 4.350 -0.000 0.000 0.283 482 E C -0.402 176.032 176.600 -0.277 0.000 1.030 482 E CA -0.418 55.974 56.400 -0.013 0.000 0.836 482 E CB 1.507 31.287 29.700 0.134 0.000 1.068 482 E HN 0.490 nan 8.360 nan 0.000 0.401 483 R N 1.929 122.046 120.500 -0.638 0.000 2.744 483 R HA 0.245 4.585 4.340 -0.000 0.000 0.279 483 R C -0.910 175.052 176.300 -0.562 0.000 0.977 483 R CA -0.690 54.995 56.100 -0.692 0.000 0.906 483 R CB 2.093 31.738 30.300 -1.092 0.000 1.197 483 R HN 0.440 nan 8.270 nan 0.000 0.463 484 Q N 1.845 121.562 119.800 -0.139 0.000 2.316 484 Q HA 0.235 4.575 4.340 -0.000 0.000 0.264 484 Q C -0.683 175.487 176.000 0.283 0.000 0.987 484 Q CA -0.549 55.298 55.803 0.075 0.000 0.852 484 Q CB 1.897 30.655 28.738 0.033 0.000 1.287 484 Q HN 0.792 nan 8.270 nan 0.000 0.448 485 T N 1.214 115.972 114.554 0.340 0.000 2.856 485 T HA 0.228 4.578 4.350 -0.000 0.000 0.306 485 T C -0.029 174.800 174.700 0.215 0.000 1.062 485 T CA -0.584 61.676 62.100 0.266 0.000 1.083 485 T CB 0.990 69.976 68.868 0.198 0.000 0.984 485 T HN 0.427 nan 8.240 nan 0.000 0.542 486 Q N 1.601 121.445 119.800 0.074 0.000 2.342 486 Q HA 0.490 4.830 4.340 -0.000 0.000 0.267 486 Q C -2.434 173.233 176.000 -0.556 0.000 1.038 486 Q CA -2.363 53.373 55.803 -0.112 0.000 0.832 486 Q CB 1.728 30.405 28.738 -0.101 0.000 1.323 486 Q HN 0.602 nan 8.270 nan 0.000 0.448 487 P HA 0.285 nan 4.420 nan 0.000 0.274 487 P C -2.425 174.463 177.300 -0.687 0.000 1.237 487 P CA -1.236 61.109 63.100 -1.259 0.000 0.793 487 P CB -0.358 30.918 31.700 -0.707 0.000 0.977 488 P HA 0.109 nan 4.420 nan 0.000 0.270 488 P C 0.064 177.127 177.300 -0.395 0.000 1.227 488 P CA 0.200 63.061 63.100 -0.399 0.000 0.788 488 P CB 0.377 31.876 31.700 -0.335 0.000 0.926 489 R N 0.857 121.165 120.500 -0.320 0.000 2.457 489 R HA 0.292 4.632 4.340 -0.000 0.000 0.284 489 R C 0.096 176.186 176.300 -0.350 0.000 1.024 489 R CA -0.634 55.281 56.100 -0.308 0.000 1.025 489 R CB 0.237 30.464 30.300 -0.122 0.000 1.063 489 R HN 0.643 nan 8.270 nan 0.000 0.493 490 H N 1.080 119.959 119.070 -0.318 0.000 2.928 490 H HA -0.002 4.554 4.556 -0.000 0.000 0.338 490 H C 0.082 175.397 175.328 -0.022 0.000 1.047 490 H CA 0.256 56.163 56.048 -0.235 0.000 1.435 490 H CB 0.255 29.809 29.762 -0.347 0.000 1.428 490 H HN 0.289 nan 8.280 nan 0.000 0.590 491 F N 1.298 121.343 119.950 0.157 0.000 2.626 491 F HA -0.022 4.505 4.527 -0.000 0.000 0.354 491 F C 1.386 177.296 175.800 0.182 0.000 1.168 491 F CA 0.315 58.395 58.000 0.132 0.000 1.368 491 F CB 0.393 39.429 39.000 0.059 0.000 1.092 491 F HN 0.523 nan 8.300 nan 0.000 0.612 492 T N -1.911 112.852 114.554 0.349 0.000 2.940 492 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 492 T C 0.801 175.559 174.700 0.097 0.000 1.045 492 T CA -0.871 61.311 62.100 0.136 0.000 1.018 492 T CB 1.429 70.291 68.868 -0.010 0.000 1.151 492 T HN 0.513 nan 8.240 nan 0.000 0.529 493 D N 0.683 121.092 120.400 0.015 0.000 2.126 493 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 493 D C 2.353 178.645 176.300 -0.013 0.000 1.001 493 D CA 1.966 55.957 54.000 -0.014 0.000 0.841 493 D CB -0.543 40.226 40.800 -0.051 0.000 0.949 493 D HN 0.742 nan 8.370 nan 0.000 0.446 494 A N 1.107 123.923 122.820 -0.008 0.000 1.859 494 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 494 A C 2.485 180.095 177.584 0.043 0.000 1.209 494 A CA 3.691 55.730 52.037 0.002 0.000 0.639 494 A CB -1.394 17.606 19.000 -0.000 0.000 0.835 494 A HN 0.439 nan 8.150 nan 0.000 0.450 495 T N -2.028 112.595 114.554 0.115 0.000 2.788 495 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 495 T C 1.766 176.586 174.700 0.200 0.000 1.044 495 T CA 1.532 63.766 62.100 0.223 0.000 1.139 495 T CB -0.532 68.537 68.868 0.335 0.000 0.867 495 T HN 0.243 nan 8.240 nan 0.000 0.454 496 L N 0.634 121.873 121.223 0.026 0.000 2.017 496 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 496 L C 2.334 179.028 176.870 -0.292 0.000 1.073 496 L CA 1.484 56.040 54.840 -0.473 0.000 0.745 496 L CB -1.166 40.626 42.059 -0.445 0.000 0.894 496 L HN 0.304 nan 8.230 nan 0.000 0.432 497 L N -0.905 120.236 121.223 -0.137 0.000 2.056 497 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 497 L C 2.566 179.398 176.870 -0.064 0.000 1.078 497 L CA 2.070 56.849 54.840 -0.101 0.000 0.749 497 L CB -0.810 41.206 42.059 -0.072 0.000 0.901 497 L HN 0.429 nan 8.230 nan 0.000 0.433 498 S N 0.194 115.886 115.700 -0.013 0.000 2.359 498 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 498 S C 2.174 176.806 174.600 0.054 0.000 1.035 498 S CA 1.131 59.355 58.200 0.039 0.000 1.018 498 S CB -1.146 62.109 63.200 0.092 0.000 0.876 498 S HN 0.603 nan 8.310 nan 0.000 0.448 499 A N 1.891 124.719 122.820 0.014 0.000 1.917 499 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 499 A C 2.259 179.731 177.584 -0.187 0.000 1.182 499 A CA 1.943 53.896 52.037 -0.140 0.000 0.633 499 A CB -0.775 17.866 19.000 -0.598 0.000 0.819 499 A HN 0.529 nan 8.150 nan 0.000 0.448 500 M N -0.550 118.940 119.600 -0.184 0.000 2.254 500 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 500 M C 2.083 178.357 176.300 -0.044 0.000 1.066 500 M CA 1.754 56.980 55.300 -0.123 0.000 1.123 500 M CB -0.402 32.124 32.600 -0.124 0.000 1.388 500 M HN 0.571 nan 8.290 nan 0.000 0.425 501 T N -1.376 113.166 114.554 -0.019 0.000 2.942 501 T HA 0.050 4.400 4.350 -0.000 0.000 0.265 501 T C 1.221 175.941 174.700 0.035 0.000 1.062 501 T CA 1.032 63.136 62.100 0.006 0.000 1.139 501 T CB -0.410 68.463 68.868 0.008 0.000 0.883 501 T HN 0.465 nan 8.240 nan 0.000 0.468 502 G N 0.485 109.325 108.800 0.067 0.000 3.302 502 G HA2 0.534 4.494 3.960 -0.000 0.000 0.338 502 G HA3 0.534 4.494 3.960 -0.000 0.000 0.338 502 G C 0.290 175.286 174.900 0.161 0.000 1.405 502 G CA -0.505 44.653 45.100 0.095 0.000 1.090 502 G HN 0.159 nan 8.290 nan 0.000 0.482 503 I N 2.835 123.481 120.570 0.127 0.000 2.353 503 I HA 0.031 4.201 4.170 -0.000 0.000 0.248 503 I C 2.743 178.997 176.117 0.228 0.000 1.119 503 I CA 1.546 62.955 61.300 0.181 0.000 1.417 503 I CB 0.050 38.099 38.000 0.083 0.000 1.078 503 I HN 0.428 nan 8.210 nan 0.000 0.421 504 A N 1.120 124.017 122.820 0.128 0.000 1.944 504 A HA -0.374 3.946 4.320 -0.000 0.000 0.222 504 A C 2.367 179.978 177.584 0.044 0.000 1.237 504 A CA 2.674 54.756 52.037 0.076 0.000 0.668 504 A CB -0.983 18.044 19.000 0.045 0.000 0.830 504 A HN 0.561 nan 8.150 nan 0.000 0.471 505 R N -1.944 118.558 120.500 0.004 0.000 2.159 505 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 505 R C 1.347 177.438 176.300 -0.349 0.000 1.131 505 R CA 1.661 57.638 56.100 -0.205 0.000 0.982 505 R CB -0.436 29.654 30.300 -0.350 0.000 0.868 505 R HN 0.616 nan 8.270 nan 0.000 0.453 506 F N 0.015 119.982 119.950 0.028 0.000 2.721 506 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 506 F C 0.749 176.562 175.800 0.021 0.000 1.096 506 F CA -0.431 57.590 58.000 0.035 0.000 1.308 506 F CB 0.366 39.399 39.000 0.054 0.000 1.086 506 F HN -0.278 nan 8.300 nan 0.000 0.587 507 V N 1.373 121.376 119.914 0.148 0.000 2.655 507 V HA -0.101 4.019 4.120 -0.000 0.000 0.300 507 V C 1.280 177.401 176.094 0.046 0.000 1.044 507 V CA 0.227 62.576 62.300 0.081 0.000 1.095 507 V CB 1.297 33.151 31.823 0.052 0.000 0.952 507 V HN 0.188 nan 8.190 nan 0.000 0.485 508 Q N 3.045 122.867 119.800 0.036 0.000 2.096 508 Q HA -0.052 4.288 4.340 -0.000 0.000 0.197 508 Q C 0.845 176.847 176.000 0.003 0.000 0.964 508 Q CA 1.085 56.901 55.803 0.023 0.000 0.838 508 Q CB -0.030 28.724 28.738 0.025 0.000 0.906 508 Q HN 0.910 nan 8.270 nan 0.000 0.444 509 D N -0.510 119.886 120.400 -0.006 0.000 2.351 509 D HA 0.035 4.675 4.640 -0.000 0.000 0.251 509 D C 0.203 176.495 176.300 -0.014 0.000 1.137 509 D CA 0.132 54.122 54.000 -0.016 0.000 0.879 509 D CB 0.991 41.773 40.800 -0.030 0.000 1.181 509 D HN 0.087 nan 8.370 nan 0.000 0.448 510 K N 2.330 122.720 120.400 -0.015 0.000 2.148 510 K HA -0.077 4.243 4.320 -0.000 0.000 0.204 510 K C 1.100 177.692 176.600 -0.014 0.000 1.050 510 K CA 0.940 57.218 56.287 -0.015 0.000 0.942 510 K CB 0.125 32.616 32.500 -0.016 0.000 0.724 510 K HN 0.489 nan 8.250 nan 0.000 0.446 511 D N 1.354 121.743 120.400 -0.017 0.000 2.084 511 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 511 D C 1.970 178.263 176.300 -0.011 0.000 0.990 511 D CA 1.009 54.999 54.000 -0.016 0.000 0.826 511 D CB -0.207 40.578 40.800 -0.025 0.000 0.971 511 D HN 0.035 nan 8.370 nan 0.000 0.453 512 L N 1.598 122.810 121.223 -0.017 0.000 2.046 512 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 512 L C 2.105 178.982 176.870 0.013 0.000 1.077 512 L CA 1.729 56.567 54.840 -0.004 0.000 0.747 512 L CB -0.444 41.604 42.059 -0.019 0.000 0.896 512 L HN -0.153 nan 8.230 nan 0.000 0.432 513 K N -0.874 119.529 120.400 0.005 0.000 2.152 513 K HA -0.245 4.075 4.320 -0.000 0.000 0.206 513 K C 2.148 178.751 176.600 0.005 0.000 1.048 513 K CA 1.332 57.623 56.287 0.006 0.000 0.933 513 K CB 0.064 32.562 32.500 -0.004 0.000 0.721 513 K HN 0.128 nan 8.250 nan 0.000 0.447 514 K N 0.844 121.246 120.400 0.003 0.000 2.044 514 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 514 K C 1.729 178.334 176.600 0.010 0.000 1.049 514 K CA 1.119 57.407 56.287 0.002 0.000 0.945 514 K CB -0.015 32.484 32.500 -0.001 0.000 0.724 514 K HN 0.080 nan 8.250 nan 0.000 0.440 515 I N 0.539 121.119 120.570 0.017 0.000 2.617 515 I HA -0.065 4.105 4.170 -0.000 0.000 0.256 515 I C 0.380 176.518 176.117 0.034 0.000 1.167 515 I CA 0.169 61.485 61.300 0.027 0.000 1.469 515 I CB -0.033 37.989 38.000 0.036 0.000 1.098 515 I HN -0.023 nan 8.210 nan 0.000 0.436 516 L N 1.734 122.978 121.223 0.036 0.000 2.462 516 L HA 0.081 4.421 4.340 -0.000 0.000 0.272 516 L C 0.854 177.740 176.870 0.026 0.000 1.166 516 L CA 0.131 54.993 54.840 0.037 0.000 0.880 516 L CB 0.377 42.460 42.059 0.041 0.000 1.142 516 L HN 0.183 nan 8.230 nan 0.000 0.473 517 R N 1.762 122.276 120.500 0.023 0.000 2.738 517 R HA 0.200 4.540 4.340 -0.000 0.000 0.275 517 R C 1.057 177.370 176.300 0.021 0.000 1.121 517 R CA 0.596 56.706 56.100 0.018 0.000 1.207 517 R CB 0.621 30.929 30.300 0.014 0.000 1.141 517 R HN 0.766 nan 8.270 nan 0.000 0.571 518 A N -0.270 122.562 122.820 0.019 0.000 2.066 518 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 518 A C 1.316 178.917 177.584 0.029 0.000 1.157 518 A CA 1.593 53.644 52.037 0.022 0.000 0.670 518 A CB -0.343 18.666 19.000 0.016 0.000 0.804 518 A HN 0.805 nan 8.150 nan 0.000 0.453 519 T N -2.156 112.414 114.554 0.026 0.000 3.105 519 T HA 0.161 4.511 4.350 -0.000 0.000 0.253 519 T C -0.220 174.496 174.700 0.027 0.000 1.047 519 T CA -0.367 61.750 62.100 0.028 0.000 0.944 519 T CB -0.051 68.834 68.868 0.029 0.000 1.016 519 T HN 0.144 nan 8.240 nan 0.000 0.544 520 D N 2.018 122.435 120.400 0.027 0.000 2.383 520 D HA 0.546 5.186 4.640 -0.000 0.000 0.252 520 D C 0.578 176.897 176.300 0.031 0.000 1.166 520 D CA 0.605 54.620 54.000 0.025 0.000 0.879 520 D CB 1.229 42.045 40.800 0.027 0.000 1.164 520 D HN 0.488 nan 8.370 nan 0.000 0.462 521 G N 0.976 109.790 108.800 0.022 0.000 2.870 521 G HA2 0.367 4.327 3.960 -0.000 0.000 0.299 521 G HA3 0.367 4.327 3.960 -0.000 0.000 0.299 521 G C 0.544 175.450 174.900 0.009 0.000 1.324 521 G CA -0.530 44.581 45.100 0.018 0.000 0.808 521 G HN 0.395 nan 8.290 nan 0.000 0.535 522 L N 0.013 121.232 121.223 -0.006 0.000 2.130 522 L HA 0.218 4.558 4.340 -0.000 0.000 0.200 522 L C 2.403 179.271 176.870 -0.004 0.000 1.075 522 L CA 1.208 56.043 54.840 -0.009 0.000 0.768 522 L CB -0.648 41.389 42.059 -0.037 0.000 0.933 522 L HN 0.635 nan 8.230 nan 0.000 0.451 523 G N -0.805 107.986 108.800 -0.015 0.000 2.711 523 G HA2 0.242 4.202 3.960 -0.000 0.000 0.186 523 G HA3 0.242 4.202 3.960 -0.000 0.000 0.186 523 G C -0.409 174.491 174.900 -0.001 0.000 1.635 523 G CA 0.136 45.231 45.100 -0.008 0.000 1.065 523 G HN 0.174 nan 8.290 nan 0.000 0.545 524 T N -0.717 113.835 114.554 -0.004 0.000 2.885 524 T HA 0.296 4.646 4.350 -0.000 0.000 0.322 524 T C 0.972 175.666 174.700 -0.009 0.000 1.387 524 T CA 0.003 62.102 62.100 -0.001 0.000 1.041 524 T CB 1.884 70.755 68.868 0.005 0.000 1.287 524 T HN 0.664 nan 8.240 nan 0.000 0.491 525 E N 2.134 122.329 120.200 -0.008 0.000 2.160 525 E HA -0.338 4.012 4.350 -0.000 0.000 0.237 525 E C 2.035 178.610 176.600 -0.043 0.000 1.069 525 E CA 2.094 58.479 56.400 -0.025 0.000 0.950 525 E CB -0.956 28.733 29.700 -0.019 0.000 0.832 525 E HN 0.663 nan 8.360 nan 0.000 0.496 526 A N 1.059 123.859 122.820 -0.035 0.000 1.933 526 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 526 A C 2.474 180.045 177.584 -0.022 0.000 1.175 526 A CA 3.041 55.058 52.037 -0.034 0.000 0.628 526 A CB -0.884 18.111 19.000 -0.009 0.000 0.814 526 A HN 0.630 nan 8.150 nan 0.000 0.444 527 T N -2.812 111.736 114.554 -0.009 0.000 3.051 527 T HA 0.026 4.376 4.350 -0.000 0.000 0.255 527 T C 1.830 176.525 174.700 -0.008 0.000 1.085 527 T CA 0.544 62.644 62.100 -0.000 0.000 1.109 527 T CB -0.287 68.590 68.868 0.015 0.000 0.921 527 T HN 0.506 nan 8.240 nan 0.000 0.488 528 R N 1.458 121.946 120.500 -0.020 0.000 2.112 528 R HA -0.069 4.271 4.340 -0.000 0.000 0.242 528 R C 2.886 179.167 176.300 -0.030 0.000 1.137 528 R CA 1.653 57.736 56.100 -0.029 0.000 0.944 528 R CB -1.134 29.141 30.300 -0.042 0.000 0.857 528 R HN 0.531 nan 8.270 nan 0.000 0.435 529 A N 1.278 124.075 122.820 -0.039 0.000 1.859 529 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 529 A C 2.509 180.078 177.584 -0.024 0.000 1.198 529 A CA 2.156 54.166 52.037 -0.044 0.000 0.629 529 A CB -1.555 17.412 19.000 -0.055 0.000 0.830 529 A HN 0.508 nan 8.150 nan 0.000 0.446 530 G N 0.059 108.851 108.800 -0.013 0.000 2.586 530 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 530 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 530 G C 1.525 176.439 174.900 0.023 0.000 1.216 530 G CA 1.395 46.499 45.100 0.006 0.000 0.786 530 G HN 0.523 nan 8.290 nan 0.000 0.583 531 I N 0.839 121.424 120.570 0.024 0.000 2.194 531 I HA -0.243 3.927 4.170 -0.000 0.000 0.246 531 I C 2.730 178.882 176.117 0.058 0.000 1.093 531 I CA 1.087 62.410 61.300 0.039 0.000 1.355 531 I CB -0.312 37.702 38.000 0.023 0.000 1.046 531 I HN 0.211 nan 8.210 nan 0.000 0.413 532 I N 0.193 120.791 120.570 0.047 0.000 2.179 532 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 532 I C 2.603 178.831 176.117 0.184 0.000 1.088 532 I CA 1.247 62.610 61.300 0.104 0.000 1.357 532 I CB -0.572 37.455 38.000 0.044 0.000 1.051 532 I HN 0.224 nan 8.210 nan 0.000 0.409 533 E N 0.779 121.025 120.200 0.077 0.000 2.058 533 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 533 E C 2.162 178.835 176.600 0.121 0.000 0.997 533 E CA 1.229 57.667 56.400 0.064 0.000 0.801 533 E CB -0.612 29.087 29.700 -0.002 0.000 0.746 533 E HN 0.345 nan 8.360 nan 0.000 0.450 534 L N 0.982 122.259 121.223 0.091 0.000 1.990 534 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 534 L C 2.409 179.325 176.870 0.076 0.000 1.072 534 L CA 1.523 56.408 54.840 0.075 0.000 0.755 534 L CB -0.630 41.473 42.059 0.075 0.000 0.889 534 L HN 0.081 nan 8.230 nan 0.000 0.432 535 L N -1.754 119.544 121.223 0.125 0.000 2.081 535 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 535 L C 2.399 179.259 176.870 -0.018 0.000 1.080 535 L CA 1.440 56.347 54.840 0.113 0.000 0.754 535 L CB -0.578 41.567 42.059 0.144 0.000 0.893 535 L HN 0.223 nan 8.230 nan 0.000 0.433 536 F N -0.124 119.807 119.950 -0.031 0.000 2.186 536 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 536 F C 2.661 178.404 175.800 -0.094 0.000 1.090 536 F CA 1.346 59.318 58.000 -0.047 0.000 1.307 536 F CB -0.222 38.763 39.000 -0.026 0.000 1.019 536 F HN -0.088 nan 8.300 nan 0.000 0.489 537 K N 0.314 120.768 120.400 0.089 0.000 2.057 537 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 537 K C 1.890 178.413 176.600 -0.129 0.000 1.050 537 K CA 0.984 57.269 56.287 -0.004 0.000 0.935 537 K CB -0.033 32.469 32.500 0.004 0.000 0.715 537 K HN 0.121 nan 8.250 nan 0.000 0.439 538 R N -0.604 119.732 120.500 -0.274 0.000 2.323 538 R HA -0.002 4.337 4.340 -0.000 0.000 0.198 538 R C 1.150 176.950 176.300 -0.834 0.000 0.988 538 R CA 0.825 56.586 56.100 -0.564 0.000 1.041 538 R CB 0.052 29.879 30.300 -0.789 0.000 0.926 538 R HN 0.523 nan 8.270 nan 0.000 0.476 539 G N 0.562 109.046 108.800 -0.525 0.000 2.176 539 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.253 539 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.253 539 G C 0.455 175.220 174.900 -0.224 0.000 0.979 539 G CA 0.046 44.944 45.100 -0.337 0.000 0.641 539 G HN 0.299 nan 8.290 nan 0.000 0.530 540 F N 0.256 120.144 119.950 -0.103 0.000 2.710 540 F HA 0.507 5.034 4.527 -0.000 0.000 0.298 540 F C 1.483 177.144 175.800 -0.232 0.000 1.137 540 F CA 0.000 57.924 58.000 -0.127 0.000 1.444 540 F CB -0.058 38.891 39.000 -0.085 0.000 1.111 540 F HN 0.158 nan 8.300 nan 0.000 0.580 541 L N -1.180 119.853 121.223 -0.316 0.000 2.333 541 L HA 0.689 5.029 4.340 -0.000 0.000 0.263 541 L C -0.138 176.269 176.870 -0.772 0.000 1.014 541 L CA -0.658 53.804 54.840 -0.631 0.000 0.820 541 L CB 2.450 43.873 42.059 -1.060 0.000 1.352 541 L HN -0.225 nan 8.230 nan 0.000 0.421 542 T N 0.175 114.459 114.554 -0.451 0.000 2.932 542 T HA 0.409 4.759 4.350 -0.000 0.000 0.318 542 T C -1.448 173.388 174.700 0.227 0.000 1.265 542 T CA -0.754 61.318 62.100 -0.048 0.000 1.036 542 T CB 1.667 70.550 68.868 0.025 0.000 1.209 542 T HN 0.316 nan 8.240 nan 0.000 0.484 543 K N 3.402 124.018 120.400 0.360 0.000 2.240 543 K HA 0.426 4.746 4.320 -0.000 0.000 0.271 543 K C -0.516 176.206 176.600 0.203 0.000 1.018 543 K CA -0.509 55.947 56.287 0.282 0.000 0.874 543 K CB 1.462 34.095 32.500 0.221 0.000 1.098 543 K HN 0.504 nan 8.250 nan 0.000 0.458 544 K N 1.824 122.348 120.400 0.205 0.000 2.521 544 K HA 0.294 4.614 4.320 -0.000 0.000 0.248 544 K C 0.368 177.080 176.600 0.187 0.000 0.978 544 K CA -0.070 56.347 56.287 0.215 0.000 0.947 544 K CB 1.296 34.006 32.500 0.350 0.000 1.165 544 K HN 0.850 nan 8.250 nan 0.000 0.445 545 G N 3.025 111.900 108.800 0.125 0.000 2.596 545 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.304 545 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.304 545 G C 0.559 175.448 174.900 -0.018 0.000 1.189 545 G CA 0.175 45.318 45.100 0.071 0.000 0.986 545 G HN 0.637 nan 8.290 nan 0.000 0.548 546 R N -0.002 120.393 120.500 -0.175 0.000 2.359 546 R HA 0.301 4.641 4.340 -0.000 0.000 0.231 546 R C -0.336 175.715 176.300 -0.416 0.000 0.913 546 R CA -0.047 55.859 56.100 -0.323 0.000 1.075 546 R CB -0.003 30.032 30.300 -0.440 0.000 1.087 546 R HN 0.420 nan 8.270 nan 0.000 0.515 547 Y N -0.036 120.251 120.300 -0.021 0.000 2.341 547 Y HA 0.348 4.898 4.550 -0.000 0.000 0.337 547 Y C 0.288 176.119 175.900 -0.114 0.000 1.014 547 Y CA -0.895 57.153 58.100 -0.088 0.000 1.111 547 Y CB 1.187 39.523 38.460 -0.207 0.000 1.194 547 Y HN -0.145 nan 8.280 nan 0.000 0.462 548 I N 4.029 124.678 120.570 0.132 0.000 2.371 548 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 548 I C -0.394 175.736 176.117 0.022 0.000 1.028 548 I CA 0.083 61.483 61.300 0.167 0.000 1.345 548 I CB 0.402 38.550 38.000 0.246 0.000 1.407 548 I HN 0.640 nan 8.210 nan 0.000 0.501 549 H N 3.259 122.357 119.070 0.047 0.000 2.600 549 H HA 0.285 4.841 4.556 -0.000 0.000 0.357 549 H C -0.210 175.065 175.328 -0.089 0.000 1.106 549 H CA -0.757 55.258 56.048 -0.055 0.000 1.193 549 H CB 1.727 31.418 29.762 -0.118 0.000 1.594 549 H HN 0.622 nan 8.280 nan 0.000 0.526 550 S N 2.243 117.997 115.700 0.090 0.000 2.565 550 S HA 0.184 4.654 4.470 -0.000 0.000 0.276 550 S C 0.531 175.125 174.600 -0.008 0.000 1.326 550 S CA -0.641 57.558 58.200 -0.001 0.000 1.045 550 S CB 0.987 64.168 63.200 -0.032 0.000 0.918 550 S HN 0.684 nan 8.310 nan 0.000 0.505 551 T N 0.119 114.669 114.554 -0.007 0.000 2.897 551 T HA 0.372 4.722 4.350 -0.000 0.000 0.278 551 T C 0.621 175.341 174.700 0.034 0.000 0.981 551 T CA -0.707 61.395 62.100 0.003 0.000 0.973 551 T CB 0.575 69.452 68.868 0.015 0.000 1.092 551 T HN 0.544 nan 8.240 nan 0.000 0.543 552 D N 0.630 121.051 120.400 0.035 0.000 2.116 552 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 552 D C 2.360 178.708 176.300 0.081 0.000 0.998 552 D CA 1.832 55.865 54.000 0.055 0.000 0.836 552 D CB -0.586 40.240 40.800 0.042 0.000 0.951 552 D HN 0.737 nan 8.370 nan 0.000 0.449 553 A N 0.918 123.802 122.820 0.106 0.000 1.883 553 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 553 A C 2.400 180.065 177.584 0.135 0.000 1.186 553 A CA 2.394 54.527 52.037 0.159 0.000 0.624 553 A CB -1.130 18.016 19.000 0.243 0.000 0.822 553 A HN 0.326 nan 8.150 nan 0.000 0.444 554 G N -0.694 108.201 108.800 0.158 0.000 2.421 554 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 554 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 554 G C 1.706 176.572 174.900 -0.055 0.000 1.171 554 G CA 1.125 46.218 45.100 -0.011 0.000 0.775 554 G HN 0.530 nan 8.290 nan 0.000 0.543 555 K N 0.367 120.776 120.400 0.016 0.000 2.032 555 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 555 K C 2.992 179.682 176.600 0.150 0.000 1.048 555 K CA 1.119 57.448 56.287 0.069 0.000 0.927 555 K CB -0.309 32.264 32.500 0.122 0.000 0.712 555 K HN 0.251 nan 8.250 nan 0.000 0.441 556 A N 1.539 124.436 122.820 0.128 0.000 1.873 556 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 556 A C 2.087 179.692 177.584 0.035 0.000 1.193 556 A CA 1.670 53.774 52.037 0.112 0.000 0.629 556 A CB -0.791 18.255 19.000 0.077 0.000 0.826 556 A HN 0.333 nan 8.150 nan 0.000 0.447 557 L N -1.338 119.848 121.223 -0.061 0.000 2.012 557 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 557 L C 2.187 178.985 176.870 -0.120 0.000 1.073 557 L CA 2.567 57.316 54.840 -0.152 0.000 0.748 557 L CB -0.979 40.846 42.059 -0.389 0.000 0.891 557 L HN 0.428 nan 8.230 nan 0.000 0.431 558 F N 0.801 120.588 119.950 -0.271 0.000 2.032 558 F HA -0.354 4.173 4.527 -0.000 0.000 0.297 558 F C 2.480 178.128 175.800 -0.252 0.000 1.125 558 F CA 2.552 60.374 58.000 -0.296 0.000 1.202 558 F CB -1.025 37.737 39.000 -0.397 0.000 0.958 558 F HN 0.367 nan 8.300 nan 0.000 0.491 559 H N -1.114 117.811 119.070 -0.241 0.000 2.518 559 H HA -0.058 4.498 4.556 -0.000 0.000 0.289 559 H C 2.226 177.413 175.328 -0.236 0.000 1.051 559 H CA 0.873 56.733 56.048 -0.313 0.000 1.280 559 H CB -0.131 29.567 29.762 -0.107 0.000 1.380 559 H HN 0.221 nan 8.280 nan 0.000 0.566 560 S N 0.192 115.838 115.700 -0.091 0.000 2.489 560 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 560 S C 0.627 175.093 174.600 -0.224 0.000 0.995 560 S CA 0.446 58.576 58.200 -0.117 0.000 0.934 560 S CB 0.210 63.357 63.200 -0.089 0.000 0.771 560 S HN 0.176 nan 8.310 nan 0.000 0.522 561 L N 2.189 123.222 121.223 -0.318 0.000 2.334 561 L HA 0.459 4.799 4.340 -0.000 0.000 0.272 561 L C -2.315 174.341 176.870 -0.357 0.000 1.020 561 L CA -2.576 51.995 54.840 -0.448 0.000 0.812 561 L CB 0.705 42.498 42.059 -0.443 0.000 1.264 561 L HN -0.080 nan 8.230 nan 0.000 0.439 562 P HA 0.091 nan 4.420 nan 0.000 0.274 562 P C 0.102 177.324 177.300 -0.131 0.000 1.237 562 P CA -0.350 62.659 63.100 -0.152 0.000 0.793 562 P CB 0.866 32.549 31.700 -0.028 0.000 0.977 563 E N 0.363 120.509 120.200 -0.091 0.000 2.065 563 E HA -0.226 4.124 4.350 -0.000 0.000 0.201 563 E C 1.634 178.235 176.600 0.002 0.000 1.016 563 E CA 1.549 57.922 56.400 -0.045 0.000 0.818 563 E CB -0.424 29.266 29.700 -0.016 0.000 0.749 563 E HN 0.310 nan 8.360 nan 0.000 0.453 564 M N 0.414 120.026 119.600 0.020 0.000 2.192 564 M HA -0.203 4.277 4.480 -0.000 0.000 0.256 564 M C 1.883 178.232 176.300 0.082 0.000 1.076 564 M CA 1.754 57.083 55.300 0.047 0.000 1.075 564 M CB -0.396 32.249 32.600 0.074 0.000 1.368 564 M HN 0.120 nan 8.290 nan 0.000 0.406 565 A N -2.309 120.572 122.820 0.102 0.000 2.169 565 A HA 0.088 4.408 4.320 -0.000 0.000 0.210 565 A C 1.829 179.474 177.584 0.102 0.000 1.168 565 A CA 1.101 53.238 52.037 0.167 0.000 0.813 565 A CB -0.668 18.452 19.000 0.199 0.000 0.861 565 A HN 0.574 nan 8.150 nan 0.000 0.481 566 T N -2.518 112.075 114.554 0.065 0.000 3.069 566 T HA 0.307 4.657 4.350 -0.000 0.000 0.252 566 T C 0.693 175.476 174.700 0.137 0.000 1.053 566 T CA -0.392 61.786 62.100 0.130 0.000 0.964 566 T CB 0.035 69.049 68.868 0.244 0.000 1.005 566 T HN 0.295 nan 8.240 nan 0.000 0.532 567 R N 1.789 122.339 120.500 0.083 0.000 2.540 567 R HA 0.356 4.696 4.340 -0.000 0.000 0.287 567 R C -1.842 174.469 176.300 0.019 0.000 0.980 567 R CA -2.253 53.886 56.100 0.065 0.000 0.966 567 R CB 0.867 31.201 30.300 0.057 0.000 1.106 567 R HN -0.011 nan 8.270 nan 0.000 0.480 568 P HA -0.102 nan 4.420 nan 0.000 0.223 568 P C -0.166 177.110 177.300 -0.040 0.000 1.151 568 P CA 1.034 64.129 63.100 -0.008 0.000 0.787 568 P CB 0.283 31.997 31.700 0.022 0.000 0.788 569 D N -0.251 120.125 120.400 -0.039 0.000 2.160 569 D HA -0.215 4.425 4.640 -0.000 0.000 0.189 569 D C 2.010 178.205 176.300 -0.175 0.000 1.003 569 D CA 1.381 55.337 54.000 -0.074 0.000 0.846 569 D CB -0.756 40.006 40.800 -0.063 0.000 0.949 569 D HN -0.023 nan 8.370 nan 0.000 0.446 570 M N 0.419 119.852 119.600 -0.278 0.000 2.065 570 M HA -0.124 4.356 4.480 -0.000 0.000 0.259 570 M C 2.138 177.913 176.300 -0.874 0.000 1.071 570 M CA 1.784 56.708 55.300 -0.625 0.000 1.109 570 M CB -1.217 30.999 32.600 -0.640 0.000 1.313 570 M HN 0.041 nan 8.290 nan 0.000 0.408 571 T N 0.210 114.481 114.554 -0.473 0.000 2.867 571 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 571 T C 1.845 176.532 174.700 -0.022 0.000 1.057 571 T CA 1.303 63.339 62.100 -0.106 0.000 1.136 571 T CB -0.561 68.326 68.868 0.031 0.000 0.874 571 T HN 0.468 nan 8.240 nan 0.000 0.466 572 A N 1.751 124.539 122.820 -0.053 0.000 1.883 572 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 572 A C 2.043 179.639 177.584 0.020 0.000 1.186 572 A CA 2.374 54.411 52.037 0.001 0.000 0.624 572 A CB -1.096 17.910 19.000 0.010 0.000 0.822 572 A HN 0.650 nan 8.150 nan 0.000 0.444 573 H N -1.506 117.500 119.070 -0.106 0.000 2.253 573 H HA -0.220 4.336 4.556 -0.000 0.000 0.296 573 H C 1.916 177.290 175.328 0.077 0.000 1.074 573 H CA 2.448 58.453 56.048 -0.072 0.000 1.263 573 H CB -0.408 29.237 29.762 -0.195 0.000 1.363 573 H HN 0.591 nan 8.280 nan 0.000 0.489 574 W N 1.465 122.717 121.300 -0.080 0.000 2.301 574 W HA -0.187 4.473 4.660 -0.000 0.000 0.325 574 W C 2.380 178.858 176.519 -0.068 0.000 1.250 574 W CA 1.412 58.751 57.345 -0.011 0.000 1.261 574 W CB -1.099 28.461 29.460 0.166 0.000 1.157 574 W HN 0.407 nan 8.180 nan 0.000 0.473 575 E N 0.010 120.313 120.200 0.172 0.000 2.097 575 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 575 E C 2.143 178.723 176.600 -0.033 0.000 1.000 575 E CA 1.836 58.260 56.400 0.040 0.000 0.804 575 E CB -1.141 28.585 29.700 0.042 0.000 0.740 575 E HN 0.226 nan 8.360 nan 0.000 0.454 576 S N 0.732 116.409 115.700 -0.037 0.000 2.359 576 S HA -0.168 4.302 4.470 -0.000 0.000 0.222 576 S C 2.264 176.814 174.600 -0.084 0.000 1.038 576 S CA 1.923 60.093 58.200 -0.049 0.000 1.051 576 S CB -0.375 62.805 63.200 -0.034 0.000 0.944 576 S HN 0.111 nan 8.310 nan 0.000 0.433 577 V N 2.227 122.069 119.914 -0.120 0.000 2.324 577 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 577 V C 2.546 178.481 176.094 -0.265 0.000 1.060 577 V CA 2.024 64.251 62.300 -0.122 0.000 1.042 577 V CB -0.880 30.942 31.823 -0.003 0.000 0.650 577 V HN 0.494 nan 8.190 nan 0.000 0.450 578 L N -0.362 120.629 121.223 -0.387 0.000 2.131 578 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 578 L C 2.615 179.347 176.870 -0.230 0.000 1.092 578 L CA 1.883 56.445 54.840 -0.463 0.000 0.759 578 L CB -0.644 41.178 42.059 -0.395 0.000 0.903 578 L HN 0.368 nan 8.230 nan 0.000 0.435 579 T N -1.294 113.178 114.554 -0.137 0.000 2.904 579 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 579 T C 1.818 176.478 174.700 -0.068 0.000 1.059 579 T CA 0.972 63.026 62.100 -0.075 0.000 1.137 579 T CB -0.008 68.835 68.868 -0.042 0.000 0.879 579 T HN 0.366 nan 8.240 nan 0.000 0.467 580 Q N 0.111 119.865 119.800 -0.077 0.000 2.291 580 Q HA -0.002 4.338 4.340 -0.000 0.000 0.205 580 Q C 2.135 178.104 176.000 -0.052 0.000 0.970 580 Q CA 0.777 56.548 55.803 -0.052 0.000 0.876 580 Q CB -0.108 28.608 28.738 -0.037 0.000 0.935 580 Q HN 0.458 nan 8.270 nan 0.000 0.455 581 I N 0.429 120.948 120.570 -0.086 0.000 2.202 581 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 581 I C 2.380 178.479 176.117 -0.031 0.000 1.091 581 I CA 1.569 62.834 61.300 -0.058 0.000 1.368 581 I CB -1.340 36.603 38.000 -0.096 0.000 1.058 581 I HN 0.215 nan 8.210 nan 0.000 0.410 582 S N 0.189 115.867 115.700 -0.036 0.000 2.561 582 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 582 S C 1.345 175.938 174.600 -0.012 0.000 0.977 582 S CA 0.486 58.679 58.200 -0.013 0.000 0.926 582 S CB -0.349 62.849 63.200 -0.003 0.000 0.769 582 S HN 0.536 nan 8.310 nan 0.000 0.533 583 E N 0.554 120.741 120.200 -0.021 0.000 2.481 583 E HA 0.307 4.657 4.350 -0.000 0.000 0.198 583 E C 0.137 176.722 176.600 -0.024 0.000 1.027 583 E CA -0.296 56.089 56.400 -0.024 0.000 0.900 583 E CB 0.100 29.785 29.700 -0.026 0.000 0.993 583 E HN 0.453 nan 8.360 nan 0.000 0.482 584 K N 0.349 120.738 120.400 -0.018 0.000 3.379 584 K HA -0.231 4.089 4.320 -0.000 0.000 0.300 584 K C -0.194 176.403 176.600 -0.006 0.000 1.302 584 K CA 0.461 56.741 56.287 -0.012 0.000 0.877 584 K CB -1.093 31.395 32.500 -0.020 0.000 1.343 584 K HN 0.071 nan 8.250 nan 0.000 0.488 585 Q N -0.321 119.475 119.800 -0.006 0.000 2.206 585 Q HA 0.360 4.700 4.340 -0.000 0.000 0.265 585 Q C -0.797 175.211 176.000 0.012 0.000 0.866 585 Q CA 0.174 55.978 55.803 0.001 0.000 1.073 585 Q CB 1.360 30.096 28.738 -0.004 0.000 1.165 585 Q HN 0.361 nan 8.270 nan 0.000 0.465 586 C N 0.279 119.591 119.300 0.019 0.000 3.175 586 C HA 0.411 4.871 4.460 -0.000 0.000 0.399 586 C C -1.577 173.443 174.990 0.050 0.000 1.053 586 C CA -0.921 58.119 59.018 0.037 0.000 1.102 586 C CB 0.740 28.497 27.740 0.028 0.000 1.488 586 C HN 0.700 nan 8.230 nan 0.000 0.580 587 R N 3.781 124.328 120.500 0.078 0.000 2.758 587 R HA 0.534 4.874 4.340 -0.000 0.000 0.265 587 R C 0.823 177.222 176.300 0.165 0.000 1.016 587 R CA -0.614 55.552 56.100 0.111 0.000 1.040 587 R CB 0.718 31.081 30.300 0.105 0.000 1.152 587 R HN 0.765 nan 8.270 nan 0.000 0.503 588 Y N 1.285 121.628 120.300 0.071 0.000 2.030 588 Y HA -0.366 4.184 4.550 -0.000 0.000 0.272 588 Y C 2.103 178.088 175.900 0.141 0.000 1.185 588 Y CA 2.250 60.415 58.100 0.108 0.000 1.120 588 Y CB -0.007 38.490 38.460 0.063 0.000 0.955 588 Y HN 0.543 nan 8.280 nan 0.000 0.495 589 Q N 0.076 120.008 119.800 0.221 0.000 2.234 589 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 589 Q C 1.623 177.648 176.000 0.042 0.000 0.980 589 Q CA 1.715 57.584 55.803 0.109 0.000 0.869 589 Q CB -0.506 28.329 28.738 0.161 0.000 0.912 589 Q HN 0.653 nan 8.270 nan 0.000 0.436 590 D N -0.858 119.590 120.400 0.080 0.000 2.363 590 D HA -0.057 4.583 4.640 -0.000 0.000 0.220 590 D C 1.282 177.655 176.300 0.122 0.000 0.994 590 D CA 0.322 54.375 54.000 0.088 0.000 0.890 590 D CB -0.013 40.846 40.800 0.097 0.000 0.906 590 D HN 0.226 nan 8.370 nan 0.000 0.530 591 F N -0.021 119.886 119.950 -0.073 0.000 2.490 591 F HA 0.173 4.700 4.527 -0.000 0.000 0.280 591 F C 1.973 177.682 175.800 -0.151 0.000 1.030 591 F CA 0.087 58.033 58.000 -0.090 0.000 1.367 591 F CB -0.099 38.822 39.000 -0.131 0.000 1.131 591 F HN -0.283 nan 8.300 nan 0.000 0.632 592 M N 1.030 120.328 119.600 -0.503 0.000 2.175 592 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 592 M C 2.110 178.220 176.300 -0.317 0.000 1.063 592 M CA 1.681 56.624 55.300 -0.596 0.000 1.119 592 M CB -0.466 31.759 32.600 -0.626 0.000 1.377 592 M HN 0.254 nan 8.290 nan 0.000 0.415 593 Q N 0.011 119.717 119.800 -0.158 0.000 2.002 593 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 593 Q C -0.632 175.342 176.000 -0.044 0.000 0.988 593 Q CA 1.956 57.727 55.803 -0.053 0.000 0.843 593 Q CB -1.668 27.070 28.738 -0.000 0.000 0.908 593 Q HN 0.409 nan 8.270 nan 0.000 0.420 594 P HA -0.183 nan 4.420 nan 0.000 0.218 594 P C 1.501 178.819 177.300 0.030 0.000 1.149 594 P CA 0.982 64.103 63.100 0.033 0.000 0.817 594 P CB -0.160 31.600 31.700 0.099 0.000 0.785 595 L N 0.346 121.459 121.223 -0.182 0.000 1.989 595 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 595 L C 2.260 179.048 176.870 -0.137 0.000 1.071 595 L CA 1.955 56.612 54.840 -0.304 0.000 0.749 595 L CB -1.354 40.183 42.059 -0.870 0.000 0.890 595 L HN -0.132 nan 8.230 nan 0.000 0.431 596 V N 1.000 120.830 119.914 -0.140 0.000 2.231 596 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 596 V C 2.871 179.010 176.094 0.074 0.000 1.054 596 V CA 2.025 64.292 62.300 -0.056 0.000 1.015 596 V CB -1.574 30.244 31.823 -0.008 0.000 0.638 596 V HN 0.671 nan 8.190 nan 0.000 0.444 597 G N -0.454 108.439 108.800 0.155 0.000 2.556 597 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.220 597 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.220 597 G C 1.636 176.671 174.900 0.224 0.000 1.156 597 G CA 1.935 47.173 45.100 0.230 0.000 0.766 597 G HN 0.516 nan 8.290 nan 0.000 0.583 598 T N 1.396 116.069 114.554 0.198 0.000 2.746 598 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 598 T C 2.413 177.220 174.700 0.179 0.000 1.039 598 T CA 1.076 63.316 62.100 0.233 0.000 1.142 598 T CB -0.215 68.911 68.868 0.429 0.000 0.866 598 T HN 0.206 nan 8.240 nan 0.000 0.444 599 L N -0.557 120.717 121.223 0.085 0.000 2.012 599 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 599 L C 2.474 179.269 176.870 -0.124 0.000 1.073 599 L CA 1.660 56.455 54.840 -0.076 0.000 0.748 599 L CB -0.777 41.147 42.059 -0.225 0.000 0.891 599 L HN 0.241 nan 8.230 nan 0.000 0.431 600 Y N 0.200 120.484 120.300 -0.026 0.000 2.053 600 Y HA -0.318 4.232 4.550 -0.000 0.000 0.277 600 Y C 2.976 178.864 175.900 -0.021 0.000 1.159 600 Y CA 1.403 59.483 58.100 -0.034 0.000 1.125 600 Y CB -0.674 37.772 38.460 -0.023 0.000 0.969 600 Y HN 0.164 nan 8.280 nan 0.000 0.492 601 Q N -0.315 119.592 119.800 0.179 0.000 2.029 601 Q HA -0.242 4.098 4.340 -0.000 0.000 0.209 601 Q C 2.406 178.448 176.000 0.069 0.000 0.999 601 Q CA 1.612 57.478 55.803 0.105 0.000 0.857 601 Q CB -1.119 27.680 28.738 0.100 0.000 0.926 601 Q HN 0.396 nan 8.270 nan 0.000 0.415 602 L N 0.446 121.710 121.223 0.068 0.000 2.021 602 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 602 L C 2.367 179.208 176.870 -0.049 0.000 1.074 602 L CA 1.562 56.427 54.840 0.041 0.000 0.760 602 L CB -0.847 41.251 42.059 0.065 0.000 0.889 602 L HN 0.221 nan 8.230 nan 0.000 0.433 603 I N -1.144 119.363 120.570 -0.105 0.000 2.252 603 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 603 I C 2.194 178.267 176.117 -0.072 0.000 1.102 603 I CA 1.479 62.682 61.300 -0.162 0.000 1.385 603 I CB -0.361 37.529 38.000 -0.184 0.000 1.064 603 I HN 0.283 nan 8.210 nan 0.000 0.414 604 D N 0.449 120.843 120.400 -0.011 0.000 2.106 604 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 604 D C 2.240 178.548 176.300 0.014 0.000 0.997 604 D CA 1.640 55.647 54.000 0.012 0.000 0.834 604 D CB 0.051 40.872 40.800 0.035 0.000 0.956 604 D HN 0.294 nan 8.370 nan 0.000 0.448 605 Q N -0.147 119.668 119.800 0.025 0.000 2.045 605 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 605 Q C 2.316 178.346 176.000 0.051 0.000 0.991 605 Q CA 1.669 57.496 55.803 0.040 0.000 0.851 605 Q CB -0.326 28.446 28.738 0.057 0.000 0.911 605 Q HN 0.383 nan 8.270 nan 0.000 0.418 606 A N 1.304 124.161 122.820 0.062 0.000 1.869 606 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 606 A C 1.981 179.592 177.584 0.046 0.000 1.203 606 A CA 2.065 54.161 52.037 0.098 0.000 0.638 606 A CB -0.611 18.383 19.000 -0.009 0.000 0.831 606 A HN 0.243 nan 8.150 nan 0.000 0.450 607 K N -0.973 119.428 120.400 0.003 0.000 2.034 607 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 607 K C 2.415 179.023 176.600 0.015 0.000 1.051 607 K CA 2.109 58.397 56.287 0.002 0.000 0.931 607 K CB -0.209 32.287 32.500 -0.007 0.000 0.715 607 K HN 0.444 nan 8.250 nan 0.000 0.446 608 R N 0.106 120.616 120.500 0.016 0.000 2.075 608 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 608 R C 1.254 177.565 176.300 0.018 0.000 1.126 608 R CA 0.879 56.989 56.100 0.016 0.000 0.963 608 R CB -0.460 29.849 30.300 0.015 0.000 0.858 608 R HN 0.175 nan 8.270 nan 0.000 0.435 609 T N 0.000 114.569 114.554 0.026 0.000 3.816 609 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 609 T CA 0.000 62.114 62.100 0.024 0.000 1.349 609 T CB 0.000 68.890 68.868 0.036 0.000 0.612 609 T HN 0.000 nan 8.240 nan 0.000 0.658