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 1fiy_1_A DATA FIRST_RESID 4 DATA SEQUENCE QYSALRSNVS MLGKVLGETI KDALGEHILE RVETIRKLSK SSRAGNDANR DATA SEQUENCE QELLTTLQNL SNDELLPVAR AFSQFLNLAN TAEQYHSISP KGEAASNPEV DATA SEQUENCE IARTLRKLKN QPELSEDTIK KAVESLSLEL VLTAHPTEIT RRTLIHKMVE DATA SEQUENCE VNACLKQLDN KDIADYEHNQ LMRRLRQLIA QSWHTDEIRK LRPSPVDEAK DATA SEQUENCE WGFAVVENSL WQGVPNYLRE LNEQLEENLG YKLPVEFVPV RFTSWMGGDR DATA SEQUENCE DGNPNVTADI TRHVLLLSRW KATDLFLKDI QVLVSELSMV EATPELLALV DATA SEQUENCE GEEGAAEPYR YLMKNLRSRL MATQAWLEAR LKGEELPKPE GLLTQNEELW DATA SEQUENCE EPLYACYQSL QACGMGIIAN GDLLDTLRRV KCFGVPLVRI DIRQESTRHT DATA SEQUENCE EALGELTRYL GIGDYESWSE ADKQAFLIRE LNSKRPLLPR NWQPSAETRE DATA SEQUENCE VLDTCQVIAE APQGSIAAYV ISMAKTPSDV LAVHLLLKEA GIGFAMPVAP DATA SEQUENCE LFETLDDLNN ANDVMTQLLN IDWYRGLIQG KQMVMIGYSD SAKDAGVMAA DATA SEQUENCE SWAQYQAQDA LIKTCEKAGI ELTLFHGRGG SIGRGGAPAH AALLSQPPGS DATA SEQUENCE LKGGLRVTEQ GEMIRFKYGL PEITVSSLSL YTGAILEANL LPPPEPKESW DATA SEQUENCE RRIMDELSVI SCDVYRGYVR ENKDFVPYFR SATPEQELGK LPLGSRPAXX DATA SEQUENCE XXXXXVESLR AIPWIFAWTQ NRLMLPAWLG AGTALQKVVE DGKQSELEAM DATA SEQUENCE CRDWPFFSTR LGMLEMVFAK ADLWLAEYYD QRLVDKALWP LGKELRNLQE DATA SEQUENCE EDIKVVLAIA NDSHLMADLP WIAESIQLRN IYTDPLNVLQ AELLHRSRQA DATA SEQUENCE EKEGQEPDPR VEQALMVTIA GIAAGMRNTG 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.719 176.000 -0.468 0.000 1.003 4 Q CA 0.000 55.554 55.803 -0.415 0.000 1.022 4 Q CB 0.000 28.621 28.738 -0.195 0.000 1.108 5 Y N 0.448 120.758 120.300 0.018 0.000 2.645 5 Y HA 0.053 4.597 4.550 -0.011 0.000 0.307 5 Y C 1.913 177.794 175.900 -0.032 0.000 1.151 5 Y CA 0.329 58.416 58.100 -0.022 0.000 1.291 5 Y CB 0.213 38.693 38.460 0.033 0.000 1.135 5 Y HN 0.682 nan 8.280 nan 0.000 0.523 6 S N -0.122 115.614 115.700 0.060 0.000 2.348 6 S HA -0.278 4.186 4.470 -0.012 0.000 0.221 6 S C 2.405 177.039 174.600 0.057 0.000 1.033 6 S CA 1.039 59.269 58.200 0.051 0.000 1.010 6 S CB -0.699 62.515 63.200 0.023 0.000 0.891 6 S HN 0.424 nan 8.310 nan 0.000 0.442 7 A N 2.045 124.904 122.820 0.066 0.000 1.908 7 A HA -0.009 4.304 4.320 -0.012 0.000 0.218 7 A C 2.292 179.934 177.584 0.097 0.000 1.181 7 A CA 1.761 53.855 52.037 0.096 0.000 0.627 7 A CB -0.976 18.111 19.000 0.145 0.000 0.818 7 A HN 0.602 nan 8.150 nan 0.000 0.445 8 L N -0.603 120.632 121.223 0.020 0.000 2.017 8 L HA -0.145 4.188 4.340 -0.012 0.000 0.208 8 L C 2.349 179.248 176.870 0.049 0.000 1.073 8 L CA 1.910 56.734 54.840 -0.027 0.000 0.745 8 L CB -0.432 41.478 42.059 -0.249 0.000 0.894 8 L HN 0.211 nan 8.230 nan 0.000 0.432 9 R N 0.149 120.684 120.500 0.059 0.000 2.096 9 R HA -0.052 4.281 4.340 -0.012 0.000 0.235 9 R C 2.322 178.663 176.300 0.069 0.000 1.127 9 R CA 1.406 57.550 56.100 0.072 0.000 0.968 9 R CB -1.445 28.899 30.300 0.073 0.000 0.861 9 R HN 0.629 nan 8.270 nan 0.000 0.440 10 S N 1.650 117.390 115.700 0.065 0.000 2.348 10 S HA -0.110 4.353 4.470 -0.012 0.000 0.221 10 S C 1.708 176.346 174.600 0.064 0.000 1.033 10 S CA 1.063 59.300 58.200 0.061 0.000 1.010 10 S CB -0.433 62.803 63.200 0.059 0.000 0.891 10 S HN 0.230 nan 8.310 nan 0.000 0.442 11 N N 1.581 120.326 118.700 0.074 0.000 2.061 11 N HA -0.115 4.618 4.740 -0.012 0.000 0.193 11 N C 2.035 177.580 175.510 0.058 0.000 1.030 11 N CA 1.538 54.630 53.050 0.069 0.000 0.856 11 N CB -1.011 37.538 38.487 0.105 0.000 1.023 11 N HN 0.461 nan 8.380 nan 0.000 0.424 12 V N -0.404 119.547 119.914 0.062 0.000 2.343 12 V HA -0.185 3.928 4.120 -0.012 0.000 0.247 12 V C 2.360 178.493 176.094 0.067 0.000 1.051 12 V CA 2.590 64.915 62.300 0.043 0.000 1.036 12 V CB -0.957 30.877 31.823 0.019 0.000 0.654 12 V HN 0.354 nan 8.190 nan 0.000 0.451 13 S N -0.204 115.542 115.700 0.077 0.000 2.359 13 S HA -0.277 4.186 4.470 -0.012 0.000 0.224 13 S C 2.140 176.780 174.600 0.067 0.000 1.035 13 S CA 2.351 60.597 58.200 0.077 0.000 1.018 13 S CB -0.554 62.683 63.200 0.062 0.000 0.876 13 S HN 0.692 nan 8.310 nan 0.000 0.448 14 M N 1.199 120.832 119.600 0.055 0.000 2.126 14 M HA -0.097 4.376 4.480 -0.012 0.000 0.259 14 M C 2.148 178.472 176.300 0.039 0.000 1.073 14 M CA 1.905 57.232 55.300 0.044 0.000 1.103 14 M CB -1.129 31.495 32.600 0.039 0.000 1.284 14 M HN 0.475 nan 8.290 nan 0.000 0.420 15 L N -0.199 121.042 121.223 0.031 0.000 2.089 15 L HA -0.216 4.117 4.340 -0.012 0.000 0.213 15 L C 2.575 179.474 176.870 0.049 0.000 1.079 15 L CA 1.548 56.399 54.840 0.020 0.000 0.758 15 L CB -1.616 40.449 42.059 0.010 0.000 0.891 15 L HN 0.540 nan 8.230 nan 0.000 0.433 16 G N -0.607 108.262 108.800 0.114 0.000 2.403 16 G HA2 -0.184 3.769 3.960 -0.012 0.000 0.216 16 G HA3 -0.184 3.769 3.960 -0.012 0.000 0.216 16 G C 1.671 176.684 174.900 0.189 0.000 1.154 16 G CA 0.297 45.549 45.100 0.254 0.000 0.784 16 G HN 0.144 nan 8.290 nan 0.000 0.538 17 K N 0.481 120.940 120.400 0.099 0.000 2.001 17 K HA -0.017 4.296 4.320 -0.012 0.000 0.208 17 K C 2.654 179.269 176.600 0.026 0.000 1.048 17 K CA 1.026 57.350 56.287 0.061 0.000 0.932 17 K CB -1.283 31.243 32.500 0.043 0.000 0.715 17 K HN 0.229 nan 8.250 nan 0.000 0.437 18 V N 1.073 120.992 119.914 0.009 0.000 2.332 18 V HA -0.201 3.912 4.120 -0.012 0.000 0.248 18 V C 2.031 178.083 176.094 -0.071 0.000 1.055 18 V CA 1.751 64.036 62.300 -0.025 0.000 1.038 18 V CB -0.445 31.364 31.823 -0.023 0.000 0.651 18 V HN 0.268 nan 8.190 nan 0.000 0.450 19 L N 1.962 123.127 121.223 -0.097 0.000 2.012 19 L HA 0.064 4.397 4.340 -0.012 0.000 0.210 19 L C 2.492 179.187 176.870 -0.292 0.000 1.073 19 L CA 2.744 57.438 54.840 -0.244 0.000 0.748 19 L CB -1.529 40.300 42.059 -0.383 0.000 0.891 19 L HN 0.362 nan 8.230 nan 0.000 0.431 20 G N -1.353 107.380 108.800 -0.112 0.000 2.440 20 G HA2 -0.286 3.667 3.960 -0.012 0.000 0.218 20 G HA3 -0.286 3.667 3.960 -0.012 0.000 0.218 20 G C 1.475 176.309 174.900 -0.111 0.000 1.154 20 G CA 0.867 45.934 45.100 -0.055 0.000 0.767 20 G HN 0.540 nan 8.290 nan 0.000 0.552 21 E N -0.343 119.807 120.200 -0.083 0.000 2.023 21 E HA -0.124 4.219 4.350 -0.012 0.000 0.196 21 E C 2.829 179.366 176.600 -0.105 0.000 1.003 21 E CA 1.541 57.901 56.400 -0.067 0.000 0.809 21 E CB -0.210 29.467 29.700 -0.039 0.000 0.755 21 E HN 0.331 nan 8.360 nan 0.000 0.449 22 T N 1.263 115.727 114.554 -0.150 0.000 2.699 22 T HA -0.183 4.160 4.350 -0.012 0.000 0.268 22 T C 1.876 176.381 174.700 -0.325 0.000 1.036 22 T CA 1.188 63.177 62.100 -0.185 0.000 1.147 22 T CB -0.199 68.536 68.868 -0.221 0.000 0.862 22 T HN 0.152 nan 8.240 nan 0.000 0.446 23 I N 0.333 120.589 120.570 -0.523 0.000 2.439 23 I HA -0.103 4.060 4.170 -0.012 0.000 0.251 23 I C 2.502 178.489 176.117 -0.217 0.000 1.139 23 I CA 0.893 61.828 61.300 -0.609 0.000 1.438 23 I CB -0.256 37.296 38.000 -0.747 0.000 1.085 23 I HN 0.118 nan 8.210 nan 0.000 0.427 24 K N 1.442 121.752 120.400 -0.149 0.000 1.991 24 K HA -0.213 4.100 4.320 -0.012 0.000 0.212 24 K C 1.792 178.386 176.600 -0.009 0.000 1.049 24 K CA 1.822 58.077 56.287 -0.053 0.000 0.932 24 K CB -0.383 32.092 32.500 -0.041 0.000 0.717 24 K HN 0.162 nan 8.250 nan 0.000 0.441 25 D N -0.140 120.259 120.400 -0.002 0.000 2.120 25 D HA -0.215 4.418 4.640 -0.012 0.000 0.191 25 D C 1.715 178.076 176.300 0.102 0.000 0.994 25 D CA 1.778 55.806 54.000 0.048 0.000 0.838 25 D CB -0.497 40.339 40.800 0.060 0.000 0.976 25 D HN 0.301 nan 8.370 nan 0.000 0.447 26 A N 0.855 123.769 122.820 0.157 0.000 1.970 26 A HA -0.249 4.064 4.320 -0.012 0.000 0.227 26 A C 2.187 179.928 177.584 0.262 0.000 1.568 26 A CA 3.673 55.907 52.037 0.328 0.000 0.813 26 A CB -1.021 18.211 19.000 0.386 0.000 0.833 26 A HN 0.503 nan 8.150 nan 0.000 0.492 27 L N -5.993 115.361 121.223 0.219 0.000 3.500 27 L HA 0.667 5.000 4.340 -0.012 0.000 0.320 27 L C 0.460 177.409 176.870 0.131 0.000 1.205 27 L CA 0.140 55.084 54.840 0.175 0.000 1.117 27 L CB 0.319 42.500 42.059 0.204 0.000 1.542 27 L HN 0.967 nan 8.230 nan 0.000 0.622 28 G N 0.096 108.957 108.800 0.102 0.000 2.411 28 G HA2 0.339 4.292 3.960 -0.012 0.000 0.295 28 G HA3 0.339 4.292 3.960 -0.012 0.000 0.295 28 G C -0.783 174.151 174.900 0.057 0.000 1.542 28 G CA -0.136 45.020 45.100 0.093 0.000 0.814 28 G HN 0.071 nan 8.290 nan 0.000 0.557 29 E N -0.575 119.671 120.200 0.077 0.000 2.431 29 E HA 0.065 4.408 4.350 -0.012 0.000 0.200 29 E C 1.431 178.091 176.600 0.099 0.000 0.995 29 E CA -0.156 56.278 56.400 0.057 0.000 0.915 29 E CB 0.547 30.274 29.700 0.046 0.000 0.930 29 E HN 0.670 nan 8.360 nan 0.000 0.496 30 H N 1.468 120.545 119.070 0.012 0.000 2.326 30 H HA -0.048 4.501 4.556 -0.011 0.000 0.301 30 H C 2.061 177.399 175.328 0.017 0.000 1.081 30 H CA 1.230 57.289 56.048 0.018 0.000 1.334 30 H CB 0.207 29.985 29.762 0.027 0.000 1.385 30 H HN 0.090 nan 8.280 nan 0.000 0.504 31 I N 0.793 121.339 120.570 -0.041 0.000 2.226 31 I HA -0.284 3.879 4.170 -0.012 0.000 0.245 31 I C 2.653 178.712 176.117 -0.097 0.000 1.100 31 I CA 0.667 61.903 61.300 -0.108 0.000 1.374 31 I CB -0.188 37.800 38.000 -0.021 0.000 1.057 31 I HN 0.327 nan 8.210 nan 0.000 0.413 32 L N 0.549 121.737 121.223 -0.058 0.000 2.131 32 L HA -0.216 4.117 4.340 -0.012 0.000 0.210 32 L C 2.684 179.533 176.870 -0.036 0.000 1.092 32 L CA 1.548 56.358 54.840 -0.050 0.000 0.759 32 L CB -0.589 41.451 42.059 -0.031 0.000 0.903 32 L HN 0.420 nan 8.230 nan 0.000 0.435 33 E N 0.159 120.351 120.200 -0.012 0.000 2.047 33 E HA -0.229 4.114 4.350 -0.012 0.000 0.191 33 E C 2.206 178.799 176.600 -0.012 0.000 0.987 33 E CA 0.761 57.165 56.400 0.008 0.000 0.799 33 E CB 0.156 29.891 29.700 0.059 0.000 0.752 33 E HN 0.230 nan 8.360 nan 0.000 0.449 34 R N 0.655 121.116 120.500 -0.065 0.000 2.094 34 R HA -0.133 4.200 4.340 -0.012 0.000 0.239 34 R C 2.556 178.858 176.300 0.004 0.000 1.137 34 R CA 1.200 57.265 56.100 -0.059 0.000 0.943 34 R CB -1.485 28.734 30.300 -0.135 0.000 0.850 34 R HN 0.166 nan 8.270 nan 0.000 0.433 35 V N 1.300 121.167 119.914 -0.080 0.000 2.252 35 V HA -0.246 3.867 4.120 -0.012 0.000 0.249 35 V C 2.299 178.437 176.094 0.073 0.000 1.056 35 V CA 1.998 64.209 62.300 -0.147 0.000 1.022 35 V CB -0.452 31.153 31.823 -0.364 0.000 0.641 35 V HN 0.404 nan 8.190 nan 0.000 0.445 36 E N -0.510 119.694 120.200 0.006 0.000 2.153 36 E HA -0.180 4.164 4.350 -0.012 0.000 0.194 36 E C 2.306 178.926 176.600 0.033 0.000 0.988 36 E CA 1.691 58.096 56.400 0.009 0.000 0.811 36 E CB -0.154 29.535 29.700 -0.018 0.000 0.746 36 E HN 0.615 nan 8.360 nan 0.000 0.466 37 T N 1.526 116.107 114.554 0.044 0.000 2.737 37 T HA -0.102 4.242 4.350 -0.012 0.000 0.265 37 T C 1.912 176.646 174.700 0.058 0.000 1.038 37 T CA 0.717 62.842 62.100 0.042 0.000 1.144 37 T CB -0.036 68.857 68.868 0.042 0.000 0.866 37 T HN 0.095 nan 8.240 nan 0.000 0.434 38 I N 2.230 122.870 120.570 0.117 0.000 2.208 38 I HA -0.209 3.954 4.170 -0.012 0.000 0.245 38 I C 2.470 178.608 176.117 0.035 0.000 1.097 38 I CA 1.616 62.983 61.300 0.112 0.000 1.363 38 I CB -1.136 37.004 38.000 0.233 0.000 1.051 38 I HN 0.376 nan 8.210 nan 0.000 0.413 39 R N 1.482 122.024 120.500 0.070 0.000 2.070 39 R HA -0.173 4.160 4.340 -0.012 0.000 0.233 39 R C 2.271 178.531 176.300 -0.066 0.000 1.137 39 R CA 1.381 57.458 56.100 -0.039 0.000 0.945 39 R CB -0.735 29.545 30.300 -0.034 0.000 0.845 39 R HN 0.358 nan 8.270 nan 0.000 0.430 40 K N 1.199 121.575 120.400 -0.040 0.000 2.001 40 K HA -0.211 4.102 4.320 -0.012 0.000 0.214 40 K C 2.032 178.596 176.600 -0.060 0.000 1.050 40 K CA 1.621 57.876 56.287 -0.053 0.000 0.934 40 K CB -0.242 32.238 32.500 -0.034 0.000 0.718 40 K HN 0.075 nan 8.250 nan 0.000 0.443 41 L N 1.629 122.830 121.223 -0.037 0.000 2.127 41 L HA -0.126 4.207 4.340 -0.012 0.000 0.211 41 L C 2.697 179.535 176.870 -0.054 0.000 1.089 41 L CA 1.964 56.784 54.840 -0.032 0.000 0.757 41 L CB -0.957 41.100 42.059 -0.003 0.000 0.899 41 L HN 0.436 nan 8.230 nan 0.000 0.434 42 S N -1.378 114.277 115.700 -0.075 0.000 2.377 42 S HA -0.150 4.313 4.470 -0.012 0.000 0.223 42 S C 2.174 176.671 174.600 -0.171 0.000 1.030 42 S CA 0.736 58.877 58.200 -0.099 0.000 0.970 42 S CB -0.156 62.974 63.200 -0.116 0.000 0.830 42 S HN 0.350 nan 8.310 nan 0.000 0.473 43 K N 1.118 121.415 120.400 -0.171 0.000 2.026 43 K HA -0.083 4.230 4.320 -0.012 0.000 0.208 43 K C 2.394 178.856 176.600 -0.230 0.000 1.048 43 K CA 1.626 57.788 56.287 -0.210 0.000 0.929 43 K CB -0.885 31.515 32.500 -0.167 0.000 0.713 43 K HN 0.439 nan 8.250 nan 0.000 0.439 44 S N 0.294 115.894 115.700 -0.167 0.000 2.354 44 S HA -0.158 4.305 4.470 -0.012 0.000 0.219 44 S C 2.119 176.596 174.600 -0.205 0.000 1.035 44 S CA 2.201 60.310 58.200 -0.152 0.000 1.037 44 S CB -0.550 62.594 63.200 -0.093 0.000 0.956 44 S HN 0.425 nan 8.310 nan 0.000 0.428 45 S N 0.834 116.426 115.700 -0.180 0.000 2.400 45 S HA -0.214 4.249 4.470 -0.012 0.000 0.234 45 S C 1.958 176.197 174.600 -0.601 0.000 1.049 45 S CA 1.859 59.952 58.200 -0.178 0.000 1.039 45 S CB -0.540 62.685 63.200 0.042 0.000 0.856 45 S HN 0.631 nan 8.310 nan 0.000 0.465 46 R N 0.926 120.868 120.500 -0.930 0.000 2.092 46 R HA 0.065 4.398 4.340 -0.012 0.000 0.231 46 R C 1.694 177.535 176.300 -0.765 0.000 1.119 46 R CA 1.241 56.456 56.100 -1.475 0.000 0.970 46 R CB -0.365 29.237 30.300 -1.163 0.000 0.864 46 R HN 0.307 nan 8.270 nan 0.000 0.440 47 A N -0.324 122.220 122.820 -0.459 0.000 2.268 47 A HA 0.266 4.580 4.320 -0.012 0.000 0.221 47 A C 1.183 178.643 177.584 -0.206 0.000 1.287 47 A CA 0.623 52.491 52.037 -0.280 0.000 0.902 47 A CB -0.653 18.223 19.000 -0.207 0.000 0.877 47 A HN 0.666 nan 8.150 nan 0.000 0.487 48 G N -0.144 108.525 108.800 -0.219 0.000 2.268 48 G HA2 -0.325 3.628 3.960 -0.012 0.000 0.240 48 G HA3 -0.325 3.628 3.960 -0.012 0.000 0.240 48 G C 0.341 175.202 174.900 -0.065 0.000 1.010 48 G CA 0.175 45.209 45.100 -0.110 0.000 0.618 48 G HN 0.769 nan 8.290 nan 0.000 0.516 49 N N 1.465 120.116 118.700 -0.082 0.000 2.396 49 N HA 0.162 4.895 4.740 -0.012 0.000 0.287 49 N C 0.464 175.972 175.510 -0.004 0.000 1.316 49 N CA 0.222 53.247 53.050 -0.042 0.000 0.972 49 N CB 0.032 38.488 38.487 -0.053 0.000 1.341 49 N HN 0.208 nan 8.380 nan 0.000 0.487 50 D N 2.654 123.066 120.400 0.019 0.000 2.338 50 D HA -0.016 4.617 4.640 -0.012 0.000 0.239 50 D C 1.098 177.424 176.300 0.043 0.000 1.095 50 D CA 0.143 54.173 54.000 0.050 0.000 0.888 50 D CB 0.382 41.215 40.800 0.055 0.000 0.899 50 D HN 0.686 nan 8.370 nan 0.000 0.525 51 A N 0.345 123.181 122.820 0.027 0.000 1.973 51 A HA -0.014 4.299 4.320 -0.012 0.000 0.210 51 A C 1.877 179.477 177.584 0.027 0.000 1.200 51 A CA 0.235 52.287 52.037 0.025 0.000 0.707 51 A CB 0.141 19.149 19.000 0.014 0.000 0.862 51 A HN 0.016 nan 8.150 nan 0.000 0.461 52 N N -0.215 118.497 118.700 0.020 0.000 2.467 52 N HA -0.031 4.702 4.740 -0.012 0.000 0.184 52 N C 1.533 177.069 175.510 0.043 0.000 1.106 52 N CA 0.664 53.725 53.050 0.019 0.000 0.892 52 N CB -0.184 38.299 38.487 -0.006 0.000 0.969 52 N HN 0.648 nan 8.380 nan 0.000 0.454 53 R N 0.514 121.056 120.500 0.070 0.000 2.127 53 R HA 0.082 4.415 4.340 -0.012 0.000 0.217 53 R C 1.754 178.112 176.300 0.097 0.000 1.074 53 R CA 1.018 57.191 56.100 0.120 0.000 0.991 53 R CB 0.112 30.516 30.300 0.173 0.000 0.895 53 R HN 0.149 nan 8.270 nan 0.000 0.450 54 Q N -0.051 119.792 119.800 0.071 0.000 2.083 54 Q HA -0.172 4.161 4.340 -0.012 0.000 0.198 54 Q C 1.804 177.834 176.000 0.050 0.000 0.969 54 Q CA 1.681 57.518 55.803 0.057 0.000 0.838 54 Q CB 0.054 28.820 28.738 0.045 0.000 0.900 54 Q HN 0.256 nan 8.270 nan 0.000 0.436 55 E N 0.949 121.176 120.200 0.045 0.000 2.110 55 E HA -0.168 4.175 4.350 -0.012 0.000 0.193 55 E C 1.689 178.315 176.600 0.044 0.000 0.988 55 E CA 0.828 57.251 56.400 0.038 0.000 0.804 55 E CB -0.247 29.471 29.700 0.029 0.000 0.745 55 E HN 0.314 nan 8.360 nan 0.000 0.458 56 L N -0.205 121.049 121.223 0.052 0.000 2.027 56 L HA -0.133 4.200 4.340 -0.012 0.000 0.206 56 L C 2.274 179.186 176.870 0.071 0.000 1.074 56 L CA 1.004 55.878 54.840 0.057 0.000 0.745 56 L CB -0.239 41.855 42.059 0.058 0.000 0.898 56 L HN 0.289 nan 8.230 nan 0.000 0.433 57 L N -0.184 121.088 121.223 0.081 0.000 2.042 57 L HA -0.222 4.111 4.340 -0.012 0.000 0.210 57 L C 2.762 179.658 176.870 0.042 0.000 1.076 57 L CA 2.419 57.299 54.840 0.068 0.000 0.749 57 L CB -1.128 40.965 42.059 0.056 0.000 0.893 57 L HN 0.546 nan 8.230 nan 0.000 0.432 58 T N -5.359 109.220 114.554 0.042 0.000 2.896 58 T HA -0.135 4.208 4.350 -0.012 0.000 0.263 58 T C 1.837 176.562 174.700 0.043 0.000 1.050 58 T CA 1.459 63.581 62.100 0.037 0.000 1.140 58 T CB -0.396 68.492 68.868 0.034 0.000 0.877 58 T HN 0.112 nan 8.240 nan 0.000 0.457 59 T N 2.194 116.776 114.554 0.047 0.000 2.684 59 T HA 0.081 4.425 4.350 -0.012 0.000 0.267 59 T C 1.838 176.572 174.700 0.056 0.000 1.036 59 T CA 1.421 63.551 62.100 0.051 0.000 1.148 59 T CB -0.521 68.378 68.868 0.052 0.000 0.863 59 T HN 0.311 nan 8.240 nan 0.000 0.436 60 L N 0.565 121.824 121.223 0.060 0.000 2.056 60 L HA -0.122 4.211 4.340 -0.012 0.000 0.207 60 L C 2.826 179.729 176.870 0.055 0.000 1.078 60 L CA 1.408 56.287 54.840 0.064 0.000 0.749 60 L CB -0.566 41.536 42.059 0.072 0.000 0.901 60 L HN 0.338 nan 8.230 nan 0.000 0.433 61 Q N -0.302 119.524 119.800 0.045 0.000 2.226 61 Q HA -0.156 4.177 4.340 -0.012 0.000 0.204 61 Q C 1.630 177.659 176.000 0.049 0.000 0.975 61 Q CA 1.089 56.918 55.803 0.044 0.000 0.866 61 Q CB -0.044 28.712 28.738 0.031 0.000 0.915 61 Q HN 0.437 nan 8.270 nan 0.000 0.440 62 N N -0.029 118.700 118.700 0.049 0.000 2.467 62 N HA 0.043 4.776 4.740 -0.012 0.000 0.184 62 N C -0.158 175.386 175.510 0.056 0.000 1.106 62 N CA 0.300 53.380 53.050 0.051 0.000 0.892 62 N CB 0.171 38.689 38.487 0.052 0.000 0.969 62 N HN 0.183 nan 8.380 nan 0.000 0.454 63 L N 1.489 122.745 121.223 0.055 0.000 2.499 63 L HA 0.014 4.347 4.340 -0.012 0.000 0.273 63 L C 0.989 177.891 176.870 0.053 0.000 1.195 63 L CA -0.204 54.668 54.840 0.053 0.000 0.882 63 L CB 0.352 42.444 42.059 0.054 0.000 1.133 63 L HN 0.115 nan 8.230 nan 0.000 0.483 64 S N 2.483 118.217 115.700 0.056 0.000 2.632 64 S HA 0.147 4.610 4.470 -0.012 0.000 0.267 64 S C 0.964 175.590 174.600 0.044 0.000 1.276 64 S CA -0.822 57.409 58.200 0.051 0.000 0.998 64 S CB 0.956 64.192 63.200 0.059 0.000 0.953 64 S HN 0.620 nan 8.310 nan 0.000 0.547 65 N N 1.141 119.863 118.700 0.036 0.000 2.364 65 N HA -0.107 4.627 4.740 -0.012 0.000 0.183 65 N C 0.609 176.137 175.510 0.030 0.000 1.022 65 N CA 1.093 54.161 53.050 0.029 0.000 0.883 65 N CB -0.319 38.180 38.487 0.020 0.000 0.965 65 N HN 0.672 nan 8.380 nan 0.000 0.438 66 D N 0.673 121.094 120.400 0.035 0.000 2.347 66 D HA -0.026 4.607 4.640 -0.012 0.000 0.213 66 D C 1.165 177.490 176.300 0.043 0.000 0.985 66 D CA 0.495 54.517 54.000 0.037 0.000 0.879 66 D CB 0.307 41.131 40.800 0.039 0.000 0.919 66 D HN 0.461 nan 8.370 nan 0.000 0.526 67 E N 0.126 120.352 120.200 0.044 0.000 2.166 67 E HA 0.033 4.376 4.350 -0.012 0.000 0.192 67 E C 2.262 178.885 176.600 0.039 0.000 0.967 67 E CA -0.134 56.286 56.400 0.033 0.000 0.840 67 E CB 0.309 30.014 29.700 0.008 0.000 0.795 67 E HN 0.146 nan 8.360 nan 0.000 0.470 68 L N 1.254 122.504 121.223 0.045 0.000 1.997 68 L HA -0.309 4.024 4.340 -0.012 0.000 0.227 68 L C 2.597 179.504 176.870 0.061 0.000 1.087 68 L CA 1.472 56.345 54.840 0.056 0.000 0.797 68 L CB -0.682 41.405 42.059 0.047 0.000 0.902 68 L HN 0.240 nan 8.230 nan 0.000 0.441 69 L N -0.212 121.035 121.223 0.039 0.000 1.989 69 L HA -0.165 4.168 4.340 -0.012 0.000 0.211 69 L C -0.063 176.826 176.870 0.032 0.000 1.071 69 L CA 1.963 56.818 54.840 0.024 0.000 0.749 69 L CB -1.626 40.426 42.059 -0.010 0.000 0.890 69 L HN 0.245 nan 8.230 nan 0.000 0.431 70 P HA -0.135 nan 4.420 nan 0.000 0.216 70 P C 1.950 179.357 177.300 0.178 0.000 1.150 70 P CA 1.298 64.463 63.100 0.108 0.000 0.837 70 P CB -0.031 31.746 31.700 0.129 0.000 0.786 71 V N 0.686 120.659 119.914 0.099 0.000 2.270 71 V HA -0.231 3.882 4.120 -0.012 0.000 0.245 71 V C 2.758 178.934 176.094 0.138 0.000 1.043 71 V CA 2.327 64.664 62.300 0.062 0.000 1.014 71 V CB -1.702 30.172 31.823 0.084 0.000 0.645 71 V HN 0.103 nan 8.190 nan 0.000 0.447 72 A N 0.130 123.062 122.820 0.186 0.000 1.865 72 A HA -0.247 4.066 4.320 -0.012 0.000 0.217 72 A C 2.345 180.059 177.584 0.217 0.000 1.191 72 A CA 2.027 54.204 52.037 0.232 0.000 0.623 72 A CB -0.585 18.509 19.000 0.157 0.000 0.826 72 A HN 0.511 nan 8.150 nan 0.000 0.444 73 R N -0.448 120.146 120.500 0.156 0.000 2.096 73 R HA -0.170 4.163 4.340 -0.012 0.000 0.240 73 R C 2.511 178.982 176.300 0.286 0.000 1.139 73 R CA 1.324 57.523 56.100 0.166 0.000 0.952 73 R CB -0.722 29.581 30.300 0.005 0.000 0.854 73 R HN 0.535 nan 8.270 nan 0.000 0.436 74 A N 1.507 124.509 122.820 0.302 0.000 1.859 74 A HA -0.224 4.089 4.320 -0.012 0.000 0.218 74 A C 1.997 179.627 177.584 0.076 0.000 1.209 74 A CA 1.707 53.771 52.037 0.044 0.000 0.639 74 A CB -0.924 17.995 19.000 -0.136 0.000 0.835 74 A HN 0.215 nan 8.150 nan 0.000 0.450 75 F N 0.294 120.419 119.950 0.292 0.000 2.120 75 F HA -0.185 4.335 4.527 -0.012 0.000 0.300 75 F C 3.044 179.012 175.800 0.279 0.000 1.095 75 F CA 1.517 59.720 58.000 0.339 0.000 1.249 75 F CB -0.942 38.193 39.000 0.224 0.000 0.995 75 F HN 0.262 nan 8.300 nan 0.000 0.480 76 S N -0.868 115.052 115.700 0.366 0.000 2.382 76 S HA -0.192 4.271 4.470 -0.012 0.000 0.228 76 S C 2.147 176.858 174.600 0.185 0.000 1.027 76 S CA 1.087 59.437 58.200 0.251 0.000 0.991 76 S CB -0.163 63.152 63.200 0.192 0.000 0.823 76 S HN 0.322 nan 8.310 nan 0.000 0.469 77 Q N 0.068 119.940 119.800 0.119 0.000 2.046 77 Q HA -0.041 4.292 4.340 -0.012 0.000 0.200 77 Q C 1.893 177.871 176.000 -0.036 0.000 0.975 77 Q CA 1.370 57.169 55.803 -0.006 0.000 0.836 77 Q CB -0.723 27.945 28.738 -0.115 0.000 0.896 77 Q HN 0.632 nan 8.270 nan 0.000 0.428 78 F N 0.921 120.920 119.950 0.080 0.000 2.091 78 F HA -0.241 4.279 4.527 -0.012 0.000 0.299 78 F C 2.292 178.054 175.800 -0.063 0.000 1.103 78 F CA 1.008 59.030 58.000 0.037 0.000 1.228 78 F CB -0.973 38.145 39.000 0.196 0.000 0.984 78 F HN 0.120 nan 8.300 nan 0.000 0.477 79 L N 0.667 122.041 121.223 0.252 0.000 2.042 79 L HA -0.237 4.096 4.340 -0.012 0.000 0.210 79 L C 2.147 179.052 176.870 0.058 0.000 1.076 79 L CA 1.796 56.711 54.840 0.125 0.000 0.749 79 L CB -1.330 40.854 42.059 0.208 0.000 0.893 79 L HN 0.113 nan 8.230 nan 0.000 0.432 80 N N -0.297 118.455 118.700 0.087 0.000 2.104 80 N HA -0.185 4.548 4.740 -0.012 0.000 0.190 80 N C 1.754 177.290 175.510 0.043 0.000 1.024 80 N CA 1.491 54.589 53.050 0.079 0.000 0.853 80 N CB -0.198 38.332 38.487 0.071 0.000 1.008 80 N HN 0.287 nan 8.380 nan 0.000 0.424 81 L N 1.123 122.345 121.223 -0.000 0.000 2.056 81 L HA 0.027 4.360 4.340 -0.012 0.000 0.207 81 L C 2.447 179.294 176.870 -0.039 0.000 1.078 81 L CA 1.393 56.223 54.840 -0.017 0.000 0.749 81 L CB -1.669 40.375 42.059 -0.024 0.000 0.901 81 L HN 0.126 nan 8.230 nan 0.000 0.433 82 A N -0.205 122.528 122.820 -0.144 0.000 1.883 82 A HA -0.245 4.068 4.320 -0.012 0.000 0.217 82 A C 2.143 179.712 177.584 -0.024 0.000 1.186 82 A CA 1.953 53.882 52.037 -0.181 0.000 0.624 82 A CB -0.649 18.085 19.000 -0.443 0.000 0.822 82 A HN 0.496 nan 8.150 nan 0.000 0.444 83 N N -0.486 118.234 118.700 0.033 0.000 2.166 83 N HA -0.147 4.586 4.740 -0.012 0.000 0.186 83 N C 2.004 177.622 175.510 0.180 0.000 1.019 83 N CA 2.094 55.219 53.050 0.126 0.000 0.856 83 N CB -0.598 38.044 38.487 0.257 0.000 0.993 83 N HN 0.735 nan 8.380 nan 0.000 0.426 84 T N -1.042 113.598 114.554 0.144 0.000 2.904 84 T HA 0.098 4.441 4.350 -0.012 0.000 0.267 84 T C 2.000 176.810 174.700 0.185 0.000 1.059 84 T CA 1.143 63.335 62.100 0.153 0.000 1.137 84 T CB -0.113 68.814 68.868 0.098 0.000 0.879 84 T HN 0.134 nan 8.240 nan 0.000 0.467 85 A N 1.586 124.494 122.820 0.146 0.000 1.877 85 A HA -0.066 4.247 4.320 -0.012 0.000 0.216 85 A C 2.423 180.167 177.584 0.267 0.000 1.186 85 A CA 1.717 53.868 52.037 0.190 0.000 0.620 85 A CB -0.901 18.166 19.000 0.111 0.000 0.822 85 A HN 0.597 nan 8.150 nan 0.000 0.443 86 E N 0.023 120.356 120.200 0.223 0.000 2.058 86 E HA -0.251 4.092 4.350 -0.012 0.000 0.194 86 E C 2.187 179.015 176.600 0.381 0.000 0.997 86 E CA 1.781 58.366 56.400 0.308 0.000 0.801 86 E CB -0.240 29.540 29.700 0.134 0.000 0.746 86 E HN 0.783 nan 8.360 nan 0.000 0.450 87 Q N -0.873 119.104 119.800 0.296 0.000 2.119 87 Q HA -0.183 4.150 4.340 -0.012 0.000 0.201 87 Q C 2.098 178.235 176.000 0.228 0.000 0.972 87 Q CA 1.403 57.369 55.803 0.272 0.000 0.847 87 Q CB -0.360 28.537 28.738 0.264 0.000 0.903 87 Q HN 0.362 nan 8.270 nan 0.000 0.433 88 Y N 1.037 121.436 120.300 0.166 0.000 2.145 88 Y HA -0.299 4.244 4.550 -0.012 0.000 0.286 88 Y C 2.253 178.223 175.900 0.117 0.000 1.145 88 Y CA 1.914 60.084 58.100 0.118 0.000 1.148 88 Y CB -0.583 37.936 38.460 0.098 0.000 0.981 88 Y HN 0.230 nan 8.280 nan 0.000 0.507 89 H N -0.413 118.545 119.070 -0.186 0.000 2.353 89 H HA -0.164 4.385 4.556 -0.012 0.000 0.298 89 H C 2.019 177.146 175.328 -0.334 0.000 1.103 89 H CA 1.843 57.727 56.048 -0.275 0.000 1.293 89 H CB 0.030 29.755 29.762 -0.061 0.000 1.372 89 H HN 0.477 nan 8.280 nan 0.000 0.501 90 S N 1.150 116.775 115.700 -0.125 0.000 2.382 90 S HA -0.121 4.342 4.470 -0.012 0.000 0.228 90 S C 2.208 176.683 174.600 -0.208 0.000 1.027 90 S CA 1.427 59.555 58.200 -0.120 0.000 0.991 90 S CB -0.153 63.144 63.200 0.161 0.000 0.823 90 S HN 0.611 nan 8.310 nan 0.000 0.469 91 I N 0.318 120.758 120.570 -0.217 0.000 3.645 91 I HA 0.198 4.361 4.170 -0.012 0.000 0.300 91 I C 0.891 176.845 176.117 -0.272 0.000 1.260 91 I CA 0.086 61.274 61.300 -0.186 0.000 1.365 91 I CB -1.018 36.928 38.000 -0.090 0.000 1.077 91 I HN 0.188 nan 8.210 nan 0.000 0.439 92 S N 4.049 119.461 115.700 -0.480 0.000 2.546 92 S HA 0.153 4.616 4.470 -0.012 0.000 0.290 92 S C -1.295 173.105 174.600 -0.333 0.000 1.262 92 S CA -0.670 57.234 58.200 -0.494 0.000 1.083 92 S CB 0.618 63.328 63.200 -0.818 0.000 0.859 92 S HN 0.076 nan 8.310 nan 0.000 0.495 93 P HA -0.101 nan 4.420 nan 0.000 0.218 93 P C 0.312 177.511 177.300 -0.170 0.000 1.146 93 P CA 1.164 64.171 63.100 -0.156 0.000 0.813 93 P CB 0.091 31.736 31.700 -0.091 0.000 0.778 94 K N 0.084 120.379 120.400 -0.175 0.000 2.805 94 K HA 0.450 4.763 4.320 -0.012 0.000 0.227 94 K C -0.002 176.448 176.600 -0.251 0.000 1.207 94 K CA -0.260 55.933 56.287 -0.157 0.000 1.153 94 K CB -0.430 32.022 32.500 -0.079 0.000 1.688 94 K HN 0.083 nan 8.250 nan 0.000 0.467 95 G N 0.509 109.072 108.800 -0.396 0.000 2.450 95 G HA2 -0.039 3.914 3.960 -0.012 0.000 0.273 95 G HA3 -0.039 3.914 3.960 -0.012 0.000 0.273 95 G C -0.224 174.295 174.900 -0.634 0.000 1.221 95 G CA -0.473 44.174 45.100 -0.755 0.000 0.900 95 G HN 0.164 nan 8.290 nan 0.000 0.483 96 E N 0.120 119.827 120.200 -0.821 0.000 2.267 96 E HA 0.037 4.380 4.350 -0.012 0.000 0.197 96 E C 1.891 178.295 176.600 -0.326 0.000 0.998 96 E CA 1.464 57.543 56.400 -0.535 0.000 0.830 96 E CB -0.310 28.968 29.700 -0.703 0.000 0.751 96 E HN 1.604 nan 8.360 nan 0.000 0.491 97 A N -0.344 122.285 122.820 -0.318 0.000 2.822 97 A HA -0.284 4.029 4.320 -0.012 0.000 0.287 97 A C 1.723 179.222 177.584 -0.140 0.000 1.479 97 A CA 1.256 53.166 52.037 -0.211 0.000 0.779 97 A CB -2.020 16.876 19.000 -0.172 0.000 1.022 97 A HN 0.351 nan 8.150 nan 0.000 0.532 98 A N 0.074 122.820 122.820 -0.124 0.000 1.954 98 A HA -0.132 4.181 4.320 -0.012 0.000 0.222 98 A C 2.227 179.776 177.584 -0.059 0.000 1.199 98 A CA 2.619 54.611 52.037 -0.075 0.000 0.657 98 A CB -0.993 17.978 19.000 -0.048 0.000 0.823 98 A HN 2.125 nan 8.150 nan 0.000 0.463 99 S N -0.991 114.677 115.700 -0.053 0.000 2.634 99 S HA 0.098 4.561 4.470 -0.012 0.000 0.221 99 S C 0.303 174.891 174.600 -0.020 0.000 0.952 99 S CA -0.026 58.159 58.200 -0.026 0.000 0.930 99 S CB -0.824 62.367 63.200 -0.015 0.000 0.780 99 S HN 0.637 nan 8.310 nan 0.000 0.498 100 N N 2.609 121.286 118.700 -0.038 0.000 2.452 100 N HA 0.190 4.924 4.740 -0.012 0.000 0.266 100 N C -2.032 173.470 175.510 -0.014 0.000 1.175 100 N CA -1.706 51.325 53.050 -0.032 0.000 0.945 100 N CB 0.830 39.288 38.487 -0.049 0.000 1.063 100 N HN -0.084 nan 8.380 nan 0.000 0.472 101 P HA -0.183 nan 4.420 nan 0.000 0.227 101 P C 0.596 177.899 177.300 0.005 0.000 1.145 101 P CA 0.808 63.914 63.100 0.011 0.000 0.769 101 P CB 0.168 31.874 31.700 0.010 0.000 0.769 102 E N -0.258 119.937 120.200 -0.008 0.000 2.150 102 E HA -0.111 4.232 4.350 -0.012 0.000 0.193 102 E C 1.850 178.446 176.600 -0.007 0.000 0.985 102 E CA 0.827 57.221 56.400 -0.010 0.000 0.814 102 E CB -0.328 29.360 29.700 -0.020 0.000 0.752 102 E HN 0.045 nan 8.360 nan 0.000 0.466 103 V N 2.014 121.921 119.914 -0.012 0.000 2.250 103 V HA -0.341 3.772 4.120 -0.012 0.000 0.253 103 V C 2.483 178.589 176.094 0.020 0.000 1.065 103 V CA 1.772 64.064 62.300 -0.013 0.000 1.039 103 V CB -0.534 31.279 31.823 -0.015 0.000 0.647 103 V HN 0.302 nan 8.190 nan 0.000 0.446 104 I N 0.390 120.986 120.570 0.042 0.000 2.142 104 I HA -0.212 3.951 4.170 -0.012 0.000 0.240 104 I C 2.768 178.912 176.117 0.045 0.000 1.078 104 I CA 2.039 63.377 61.300 0.065 0.000 1.343 104 I CB -1.751 36.293 38.000 0.074 0.000 1.046 104 I HN 0.347 nan 8.210 nan 0.000 0.405 105 A N 1.945 124.779 122.820 0.024 0.000 1.940 105 A HA -0.249 4.065 4.320 -0.012 0.000 0.219 105 A C 2.358 179.953 177.584 0.018 0.000 1.176 105 A CA 2.142 54.188 52.037 0.014 0.000 0.631 105 A CB -0.664 18.338 19.000 0.003 0.000 0.814 105 A HN 0.542 nan 8.150 nan 0.000 0.446 106 R N -0.786 119.724 120.500 0.015 0.000 2.091 106 R HA -0.076 4.257 4.340 -0.012 0.000 0.238 106 R C 1.954 178.276 176.300 0.036 0.000 1.136 106 R CA 2.027 58.136 56.100 0.016 0.000 0.959 106 R CB -1.688 28.612 30.300 -0.000 0.000 0.856 106 R HN 0.294 nan 8.270 nan 0.000 0.437 107 T N 1.592 116.179 114.554 0.056 0.000 2.674 107 T HA -0.039 4.304 4.350 -0.012 0.000 0.265 107 T C 1.855 176.596 174.700 0.070 0.000 1.039 107 T CA 1.518 63.671 62.100 0.089 0.000 1.150 107 T CB -0.295 68.652 68.868 0.131 0.000 0.864 107 T HN 0.100 nan 8.240 nan 0.000 0.427 108 L N 0.207 121.463 121.223 0.055 0.000 2.079 108 L HA -0.153 4.180 4.340 -0.012 0.000 0.210 108 L C 2.913 179.802 176.870 0.033 0.000 1.081 108 L CA 1.484 56.347 54.840 0.039 0.000 0.752 108 L CB -0.366 41.704 42.059 0.017 0.000 0.896 108 L HN 0.180 nan 8.230 nan 0.000 0.433 109 R N -0.313 120.204 120.500 0.029 0.000 2.066 109 R HA -0.178 4.155 4.340 -0.012 0.000 0.232 109 R C 2.340 178.661 176.300 0.034 0.000 1.131 109 R CA 1.377 57.492 56.100 0.025 0.000 0.955 109 R CB -0.210 30.102 30.300 0.019 0.000 0.851 109 R HN 0.224 nan 8.270 nan 0.000 0.432 110 K N 1.111 121.535 120.400 0.040 0.000 2.001 110 K HA -0.204 4.109 4.320 -0.012 0.000 0.214 110 K C 2.032 178.662 176.600 0.050 0.000 1.050 110 K CA 1.636 57.950 56.287 0.047 0.000 0.934 110 K CB -0.228 32.307 32.500 0.057 0.000 0.718 110 K HN 0.088 nan 8.250 nan 0.000 0.443 111 L N 0.853 122.109 121.223 0.056 0.000 1.971 111 L HA -0.241 4.092 4.340 -0.012 0.000 0.215 111 L C 2.807 179.708 176.870 0.051 0.000 1.072 111 L CA 1.810 56.685 54.840 0.057 0.000 0.758 111 L CB -0.631 41.466 42.059 0.063 0.000 0.889 111 L HN 0.296 nan 8.230 nan 0.000 0.433 112 K N 0.947 121.376 120.400 0.048 0.000 2.089 112 K HA -0.207 4.106 4.320 -0.012 0.000 0.210 112 K C 0.559 177.183 176.600 0.040 0.000 1.048 112 K CA 1.983 58.297 56.287 0.045 0.000 0.926 112 K CB -0.168 32.355 32.500 0.038 0.000 0.714 112 K HN 0.489 nan 8.250 nan 0.000 0.448 113 N N 0.923 119.645 118.700 0.037 0.000 3.170 113 N HA 0.053 4.786 4.740 -0.012 0.000 0.305 113 N C -1.270 174.260 175.510 0.035 0.000 1.499 113 N CA -0.300 52.770 53.050 0.033 0.000 1.110 113 N CB 1.028 39.532 38.487 0.028 0.000 1.390 113 N HN 0.002 nan 8.380 nan 0.000 0.508 114 Q N 1.391 121.213 119.800 0.038 0.000 2.303 114 Q HA 0.343 4.676 4.340 -0.012 0.000 0.267 114 Q C -2.632 173.389 176.000 0.036 0.000 1.011 114 Q CA -1.575 54.252 55.803 0.039 0.000 0.740 114 Q CB 2.897 31.661 28.738 0.045 0.000 1.250 114 Q HN 0.405 nan 8.270 nan 0.000 0.458 115 P HA 0.007 nan 4.420 nan 0.000 0.270 115 P C -0.230 177.088 177.300 0.030 0.000 1.223 115 P CA 0.169 63.287 63.100 0.029 0.000 0.785 115 P CB 0.719 32.435 31.700 0.027 0.000 0.923 116 E N -1.023 119.193 120.200 0.028 0.000 2.868 116 E HA -0.181 4.162 4.350 -0.012 0.000 0.278 116 E C -0.564 176.054 176.600 0.030 0.000 1.009 116 E CA 0.684 57.100 56.400 0.027 0.000 0.856 116 E CB -2.016 27.701 29.700 0.027 0.000 1.428 116 E HN 0.507 nan 8.360 nan 0.000 0.423 117 L N 1.253 122.496 121.223 0.032 0.000 2.490 117 L HA 0.193 4.526 4.340 -0.012 0.000 0.256 117 L C 0.122 177.013 176.870 0.035 0.000 1.089 117 L CA -0.380 54.481 54.840 0.036 0.000 0.916 117 L CB 0.916 43.000 42.059 0.042 0.000 1.188 117 L HN 0.104 nan 8.230 nan 0.000 0.476 118 S N 0.251 115.969 115.700 0.029 0.000 2.563 118 S HA 0.009 4.472 4.470 -0.012 0.000 0.284 118 S C 0.941 175.561 174.600 0.034 0.000 1.331 118 S CA -0.427 57.788 58.200 0.026 0.000 1.047 118 S CB 1.605 64.815 63.200 0.017 0.000 0.859 118 S HN 0.631 nan 8.310 nan 0.000 0.514 119 E N 0.895 121.117 120.200 0.036 0.000 2.153 119 E HA -0.133 4.210 4.350 -0.012 0.000 0.194 119 E C 0.938 177.558 176.600 0.033 0.000 0.988 119 E CA 1.342 57.773 56.400 0.052 0.000 0.811 119 E CB -0.028 29.708 29.700 0.061 0.000 0.746 119 E HN 0.695 nan 8.360 nan 0.000 0.466 120 D N -0.918 119.484 120.400 0.002 0.000 2.183 120 D HA -0.090 4.543 4.640 -0.012 0.000 0.203 120 D C 1.743 178.038 176.300 -0.010 0.000 0.969 120 D CA 1.105 55.088 54.000 -0.027 0.000 0.842 120 D CB -0.461 40.318 40.800 -0.035 0.000 0.957 120 D HN 0.111 nan 8.370 nan 0.000 0.484 121 T N 1.234 115.793 114.554 0.010 0.000 2.684 121 T HA -0.082 4.261 4.350 -0.012 0.000 0.267 121 T C 2.184 176.904 174.700 0.033 0.000 1.036 121 T CA 0.691 62.801 62.100 0.018 0.000 1.148 121 T CB -0.204 68.678 68.868 0.024 0.000 0.863 121 T HN 0.176 nan 8.240 nan 0.000 0.436 122 I N 0.813 121.416 120.570 0.054 0.000 2.226 122 I HA -0.166 3.997 4.170 -0.012 0.000 0.245 122 I C 2.626 178.808 176.117 0.109 0.000 1.100 122 I CA 1.272 62.623 61.300 0.085 0.000 1.374 122 I CB -0.405 37.659 38.000 0.106 0.000 1.057 122 I HN 0.205 nan 8.210 nan 0.000 0.413 123 K N 1.686 122.143 120.400 0.095 0.000 2.063 123 K HA -0.201 4.113 4.320 -0.012 0.000 0.208 123 K C 2.113 178.717 176.600 0.008 0.000 1.048 123 K CA 1.496 57.820 56.287 0.063 0.000 0.928 123 K CB 0.049 32.437 32.500 -0.186 0.000 0.713 123 K HN 0.216 nan 8.250 nan 0.000 0.442 124 K N -0.175 120.214 120.400 -0.019 0.000 2.148 124 K HA -0.096 4.218 4.320 -0.012 0.000 0.204 124 K C 2.112 178.704 176.600 -0.012 0.000 1.050 124 K CA 1.085 57.351 56.287 -0.036 0.000 0.942 124 K CB -0.066 32.414 32.500 -0.033 0.000 0.724 124 K HN 0.211 nan 8.250 nan 0.000 0.446 125 A N 1.095 123.930 122.820 0.024 0.000 1.968 125 A HA -0.073 4.240 4.320 -0.012 0.000 0.217 125 A C 2.364 179.986 177.584 0.064 0.000 1.169 125 A CA 0.976 53.039 52.037 0.044 0.000 0.638 125 A CB -0.430 18.605 19.000 0.058 0.000 0.812 125 A HN 0.056 nan 8.150 nan 0.000 0.446 126 V N 0.266 120.227 119.914 0.079 0.000 2.270 126 V HA -0.229 3.884 4.120 -0.012 0.000 0.245 126 V C 2.294 178.417 176.094 0.049 0.000 1.043 126 V CA 2.261 64.631 62.300 0.117 0.000 1.014 126 V CB -0.652 31.276 31.823 0.175 0.000 0.645 126 V HN 0.677 nan 8.190 nan 0.000 0.447 127 E N 0.319 120.461 120.200 -0.096 0.000 2.331 127 E HA -0.154 4.189 4.350 -0.012 0.000 0.199 127 E C 1.828 178.198 176.600 -0.383 0.000 1.008 127 E CA 1.335 57.496 56.400 -0.399 0.000 0.843 127 E CB -0.139 29.372 29.700 -0.315 0.000 0.761 127 E HN 0.699 nan 8.360 nan 0.000 0.507 128 S N -0.173 115.470 115.700 -0.094 0.000 2.568 128 S HA 0.161 4.624 4.470 -0.012 0.000 0.232 128 S C 0.564 175.245 174.600 0.135 0.000 0.975 128 S CA -0.512 57.692 58.200 0.006 0.000 0.949 128 S CB -0.011 63.188 63.200 -0.001 0.000 0.829 128 S HN 0.024 nan 8.310 nan 0.000 0.479 129 L N 2.488 123.857 121.223 0.243 0.000 2.483 129 L HA 0.363 4.696 4.340 -0.012 0.000 0.275 129 L C 0.441 177.454 176.870 0.238 0.000 1.220 129 L CA 0.312 55.300 54.840 0.247 0.000 0.833 129 L CB 0.999 43.235 42.059 0.296 0.000 1.102 129 L HN 0.452 nan 8.230 nan 0.000 0.490 130 S N 2.897 118.670 115.700 0.121 0.000 2.584 130 S HA 0.620 5.083 4.470 -0.012 0.000 0.280 130 S C -1.416 173.183 174.600 -0.001 0.000 1.162 130 S CA -0.792 57.439 58.200 0.051 0.000 0.951 130 S CB 0.800 64.027 63.200 0.045 0.000 1.108 130 S HN 0.323 nan 8.310 nan 0.000 0.464 131 L N 3.134 124.331 121.223 -0.044 0.000 2.381 131 L HA 0.770 5.103 4.340 -0.012 0.000 0.268 131 L C -0.236 176.531 176.870 -0.172 0.000 0.997 131 L CA -0.305 54.476 54.840 -0.098 0.000 0.818 131 L CB 1.878 43.892 42.059 -0.074 0.000 1.310 131 L HN 0.835 nan 8.230 nan 0.000 0.416 132 E N 2.780 122.848 120.200 -0.221 0.000 2.317 132 E HA 0.470 4.813 4.350 -0.012 0.000 0.270 132 E C -1.887 174.516 176.600 -0.329 0.000 0.899 132 E CA -0.579 55.652 56.400 -0.281 0.000 0.814 132 E CB 1.241 30.817 29.700 -0.207 0.000 1.296 132 E HN 0.394 nan 8.360 nan 0.000 0.404 133 L N 4.264 125.145 121.223 -0.569 0.000 2.287 133 L HA 0.473 4.807 4.340 -0.012 0.000 0.287 133 L C -0.192 176.510 176.870 -0.280 0.000 1.022 133 L CA -1.048 53.510 54.840 -0.469 0.000 0.814 133 L CB 1.009 42.683 42.059 -0.642 0.000 1.217 133 L HN 0.350 nan 8.230 nan 0.000 0.420 134 V N 4.991 124.851 119.914 -0.090 0.000 2.348 134 V HA 0.325 4.438 4.120 -0.012 0.000 0.270 134 V C 0.566 176.662 176.094 0.004 0.000 1.037 134 V CA -0.536 61.753 62.300 -0.019 0.000 0.872 134 V CB 1.264 33.075 31.823 -0.021 0.000 1.002 134 V HN 0.517 nan 8.190 nan 0.000 0.464 135 L N 5.344 126.640 121.223 0.122 0.000 2.397 135 L HA 0.533 4.866 4.340 -0.012 0.000 0.271 135 L C 0.810 177.770 176.870 0.151 0.000 1.148 135 L CA 0.206 55.153 54.840 0.177 0.000 0.825 135 L CB 0.951 43.167 42.059 0.262 0.000 1.117 135 L HN 0.796 nan 8.230 nan 0.000 0.456 136 T N -0.247 114.394 114.554 0.145 0.000 2.930 136 T HA 0.781 5.124 4.350 -0.012 0.000 0.290 136 T C -0.101 174.668 174.700 0.114 0.000 1.052 136 T CA -0.816 61.350 62.100 0.110 0.000 1.017 136 T CB 1.748 70.607 68.868 -0.015 0.000 1.137 136 T HN 0.676 nan 8.240 nan 0.000 0.511 137 A N 1.343 124.180 122.820 0.029 0.000 2.406 137 A HA 0.363 4.676 4.320 -0.012 0.000 0.243 137 A C 0.253 177.709 177.584 -0.213 0.000 1.082 137 A CA -0.331 51.603 52.037 -0.171 0.000 0.786 137 A CB -0.334 18.586 19.000 -0.133 0.000 1.029 137 A HN 0.980 nan 8.150 nan 0.000 0.495 138 H N 2.506 121.221 119.070 -0.591 0.000 2.723 138 H HA 0.307 4.856 4.556 -0.012 0.000 0.294 138 H C -1.943 173.223 175.328 -0.271 0.000 1.079 138 H CA -2.201 53.606 56.048 -0.401 0.000 1.411 138 H CB 1.113 30.486 29.762 -0.648 0.000 1.439 138 H HN 0.271 nan 8.280 nan 0.000 0.474 139 P HA -0.072 nan 4.420 nan 0.000 0.220 139 P C 0.357 177.692 177.300 0.058 0.000 1.148 139 P CA 1.282 64.354 63.100 -0.046 0.000 0.803 139 P CB 0.358 31.784 31.700 -0.457 0.000 0.782 140 T N -3.625 111.111 114.554 0.303 0.000 3.483 140 T HA 0.301 4.645 4.350 -0.012 0.000 0.258 140 T C -0.170 174.375 174.700 -0.259 0.000 1.013 140 T CA -0.571 61.582 62.100 0.089 0.000 1.078 140 T CB -0.473 68.569 68.868 0.290 0.000 1.111 140 T HN -0.099 nan 8.240 nan 0.000 0.538 141 E N 1.436 121.323 120.200 -0.521 0.000 1.996 141 E HA 0.255 4.598 4.350 -0.012 0.000 0.280 141 E C 0.812 177.270 176.600 -0.236 0.000 1.092 141 E CA -0.567 55.499 56.400 -0.557 0.000 0.862 141 E CB -0.102 29.223 29.700 -0.625 0.000 1.066 141 E HN 0.277 nan 8.360 nan 0.000 0.396 142 I N 3.556 124.039 120.570 -0.145 0.000 3.059 142 I HA -0.060 4.104 4.170 -0.012 0.000 0.270 142 I C 0.610 176.697 176.117 -0.050 0.000 1.238 142 I CA 0.803 62.060 61.300 -0.071 0.000 1.478 142 I CB -0.611 37.370 38.000 -0.032 0.000 1.097 142 I HN 0.566 nan 8.210 nan 0.000 0.455 143 T N -2.405 112.123 114.554 -0.042 0.000 2.923 143 T HA 0.366 4.709 4.350 -0.012 0.000 0.281 143 T C 1.151 175.845 174.700 -0.011 0.000 0.995 143 T CA -0.684 61.405 62.100 -0.018 0.000 0.985 143 T CB 1.488 70.357 68.868 0.000 0.000 1.114 143 T HN 0.100 nan 8.240 nan 0.000 0.548 144 R N -0.569 119.930 120.500 -0.001 0.000 2.173 144 R HA 0.248 4.581 4.340 -0.012 0.000 0.208 144 R C 0.629 176.946 176.300 0.028 0.000 1.035 144 R CA 0.156 56.259 56.100 0.004 0.000 1.004 144 R CB 0.034 30.333 30.300 -0.001 0.000 0.917 144 R HN 0.357 nan 8.270 nan 0.000 0.462 145 R N 1.349 121.876 120.500 0.045 0.000 2.750 145 R HA 0.137 4.470 4.340 -0.012 0.000 0.281 145 R C -0.995 175.370 176.300 0.108 0.000 0.972 145 R CA -0.571 55.574 56.100 0.075 0.000 0.912 145 R CB 1.235 31.577 30.300 0.071 0.000 1.187 145 R HN 0.025 nan 8.270 nan 0.000 0.464 146 T N 1.482 116.121 114.554 0.141 0.000 2.940 146 T HA 0.191 4.534 4.350 -0.012 0.000 0.309 146 T C 0.804 175.589 174.700 0.141 0.000 1.056 146 T CA -0.211 61.985 62.100 0.159 0.000 1.137 146 T CB 0.269 69.209 68.868 0.120 0.000 0.976 146 T HN 0.506 nan 8.240 nan 0.000 0.547 147 L N 3.181 124.454 121.223 0.083 0.000 2.769 147 L HA 0.235 4.568 4.340 -0.012 0.000 0.240 147 L C 1.827 178.658 176.870 -0.066 0.000 1.163 147 L CA -0.461 54.369 54.840 -0.017 0.000 0.962 147 L CB -0.474 41.572 42.059 -0.021 0.000 1.258 147 L HN 0.584 nan 8.230 nan 0.000 0.513 148 I N 1.088 121.664 120.570 0.010 0.000 2.053 148 I HA -0.365 3.798 4.170 -0.012 0.000 0.236 148 I C 2.941 179.047 176.117 -0.017 0.000 1.038 148 I CA 2.212 63.503 61.300 -0.015 0.000 1.304 148 I CB -1.777 36.202 38.000 -0.035 0.000 1.023 148 I HN 0.568 nan 8.210 nan 0.000 0.395 149 H N 2.353 121.403 119.070 -0.034 0.000 2.394 149 H HA -0.170 4.380 4.556 -0.012 0.000 0.297 149 H C 1.767 177.089 175.328 -0.011 0.000 1.113 149 H CA 1.532 57.566 56.048 -0.024 0.000 1.277 149 H CB -0.677 29.069 29.762 -0.026 0.000 1.370 149 H HN 0.348 nan 8.280 nan 0.000 0.506 150 K N 0.482 120.478 120.400 -0.673 0.000 2.026 150 K HA -0.097 4.216 4.320 -0.012 0.000 0.208 150 K C 2.548 179.056 176.600 -0.154 0.000 1.048 150 K CA 1.360 57.424 56.287 -0.371 0.000 0.929 150 K CB -0.315 31.974 32.500 -0.353 0.000 0.713 150 K HN 0.341 nan 8.250 nan 0.000 0.439 151 M N 0.648 120.178 119.600 -0.116 0.000 2.106 151 M HA -0.187 4.286 4.480 -0.012 0.000 0.259 151 M C 2.203 178.492 176.300 -0.018 0.000 1.068 151 M CA 1.362 56.634 55.300 -0.046 0.000 1.100 151 M CB -0.337 32.244 32.600 -0.032 0.000 1.351 151 M HN -0.131 nan 8.290 nan 0.000 0.404 152 V N -0.223 119.682 119.914 -0.014 0.000 2.392 152 V HA -0.279 3.834 4.120 -0.012 0.000 0.249 152 V C 2.205 178.303 176.094 0.007 0.000 1.059 152 V CA 1.901 64.209 62.300 0.013 0.000 1.051 152 V CB -0.798 31.041 31.823 0.026 0.000 0.658 152 V HN 0.497 nan 8.190 nan 0.000 0.455 153 E N -0.002 120.191 120.200 -0.011 0.000 2.028 153 E HA -0.145 4.198 4.350 -0.012 0.000 0.190 153 E C 2.315 178.898 176.600 -0.029 0.000 0.984 153 E CA 1.384 57.775 56.400 -0.016 0.000 0.800 153 E CB -0.059 29.629 29.700 -0.020 0.000 0.758 153 E HN 0.451 nan 8.360 nan 0.000 0.448 154 V N 1.783 121.677 119.914 -0.034 0.000 2.324 154 V HA -0.300 3.813 4.120 -0.012 0.000 0.250 154 V C 2.159 178.222 176.094 -0.051 0.000 1.060 154 V CA 2.146 64.421 62.300 -0.041 0.000 1.042 154 V CB -0.726 31.079 31.823 -0.030 0.000 0.650 154 V HN 0.303 nan 8.190 nan 0.000 0.450 155 N N 0.087 118.776 118.700 -0.019 0.000 2.244 155 N HA -0.100 4.633 4.740 -0.012 0.000 0.183 155 N C 1.684 177.171 175.510 -0.038 0.000 1.016 155 N CA 1.325 54.375 53.050 -0.000 0.000 0.866 155 N CB -0.224 38.314 38.487 0.085 0.000 0.980 155 N HN 0.439 nan 8.380 nan 0.000 0.430 156 A N -0.287 122.518 122.820 -0.025 0.000 1.897 156 A HA -0.079 4.234 4.320 -0.012 0.000 0.215 156 A C 2.577 180.116 177.584 -0.074 0.000 1.181 156 A CA 1.144 53.165 52.037 -0.026 0.000 0.620 156 A CB -1.101 17.894 19.000 -0.009 0.000 0.821 156 A HN 0.534 nan 8.150 nan 0.000 0.443 157 C N -0.538 118.709 119.300 -0.087 0.000 2.413 157 C HA -0.097 4.356 4.460 -0.012 0.000 0.276 157 C C 2.652 177.538 174.990 -0.174 0.000 1.248 157 C CA 1.134 60.085 59.018 -0.113 0.000 1.742 157 C CB -1.456 26.226 27.740 -0.097 0.000 2.017 157 C HN 0.619 nan 8.230 nan 0.000 0.481 158 L N 0.527 121.594 121.223 -0.261 0.000 2.093 158 L HA -0.157 4.176 4.340 -0.012 0.000 0.208 158 L C 2.567 179.114 176.870 -0.538 0.000 1.085 158 L CA 1.574 56.139 54.840 -0.459 0.000 0.755 158 L CB -0.704 40.923 42.059 -0.721 0.000 0.904 158 L HN 0.402 nan 8.230 nan 0.000 0.435 159 K N 0.448 120.625 120.400 -0.372 0.000 2.002 159 K HA -0.237 4.076 4.320 -0.012 0.000 0.209 159 K C 2.159 178.728 176.600 -0.051 0.000 1.048 159 K CA 1.555 57.784 56.287 -0.096 0.000 0.930 159 K CB -0.055 32.480 32.500 0.060 0.000 0.714 159 K HN 0.182 nan 8.250 nan 0.000 0.438 160 Q N 0.192 119.951 119.800 -0.068 0.000 2.135 160 Q HA -0.097 4.236 4.340 -0.012 0.000 0.204 160 Q C 2.019 177.986 176.000 -0.054 0.000 0.981 160 Q CA 1.552 57.325 55.803 -0.050 0.000 0.856 160 Q CB -0.014 28.689 28.738 -0.057 0.000 0.902 160 Q HN 0.352 nan 8.270 nan 0.000 0.425 161 L N 0.018 121.188 121.223 -0.089 0.000 2.291 161 L HA -0.136 4.197 4.340 -0.012 0.000 0.214 161 L C 1.534 178.404 176.870 0.001 0.000 1.120 161 L CA 0.474 55.279 54.840 -0.058 0.000 0.799 161 L CB -0.105 41.885 42.059 -0.116 0.000 0.925 161 L HN 0.164 nan 8.230 nan 0.000 0.446 162 D N 0.296 120.694 120.400 -0.003 0.000 2.264 162 D HA -0.146 4.487 4.640 -0.012 0.000 0.208 162 D C 0.984 177.314 176.300 0.051 0.000 0.966 162 D CA 0.375 54.409 54.000 0.056 0.000 0.864 162 D CB -0.054 40.826 40.800 0.133 0.000 0.933 162 D HN 0.234 nan 8.370 nan 0.000 0.499 163 N N 0.826 119.545 118.700 0.031 0.000 2.431 163 N HA -0.026 4.707 4.740 -0.012 0.000 0.265 163 N C -0.198 175.323 175.510 0.019 0.000 1.184 163 N CA -0.251 52.812 53.050 0.021 0.000 0.943 163 N CB 0.398 38.890 38.487 0.008 0.000 1.080 163 N HN -0.031 nan 8.380 nan 0.000 0.477 164 K N 1.856 122.265 120.400 0.014 0.000 2.156 164 K HA -0.019 4.294 4.320 -0.012 0.000 0.242 164 K C -0.015 176.583 176.600 -0.004 0.000 1.033 164 K CA -0.077 56.214 56.287 0.006 0.000 0.878 164 K CB 0.400 32.902 32.500 0.003 0.000 1.057 164 K HN 0.608 nan 8.250 nan 0.000 0.505 165 D N -0.044 120.348 120.400 -0.013 0.000 2.945 165 D HA -0.185 4.448 4.640 -0.012 0.000 0.225 165 D C -0.377 175.904 176.300 -0.032 0.000 1.158 165 D CA 1.034 55.023 54.000 -0.019 0.000 0.805 165 D CB -1.708 39.084 40.800 -0.013 0.000 1.098 165 D HN 0.492 nan 8.370 nan 0.000 0.426 166 I N -2.677 117.874 120.570 -0.032 0.000 2.342 166 I HA 0.593 4.756 4.170 -0.012 0.000 0.291 166 I C 0.828 176.884 176.117 -0.101 0.000 1.010 166 I CA -0.980 60.286 61.300 -0.058 0.000 1.308 166 I CB 1.474 39.455 38.000 -0.031 0.000 1.400 166 I HN -0.013 nan 8.210 nan 0.000 0.488 167 A N 4.753 127.453 122.820 -0.200 0.000 2.565 167 A HA 0.005 4.318 4.320 -0.012 0.000 0.237 167 A C 1.242 178.673 177.584 -0.255 0.000 1.053 167 A CA 0.310 52.174 52.037 -0.289 0.000 0.755 167 A CB -0.044 18.546 19.000 -0.683 0.000 0.980 167 A HN 0.951 nan 8.150 nan 0.000 0.506 168 D N 2.255 122.612 120.400 -0.071 0.000 2.158 168 D HA -0.338 4.295 4.640 -0.012 0.000 0.197 168 D C 1.266 177.612 176.300 0.076 0.000 0.995 168 D CA 2.476 56.485 54.000 0.014 0.000 0.846 168 D CB -0.924 39.905 40.800 0.048 0.000 0.941 168 D HN 0.837 nan 8.370 nan 0.000 0.456 169 Y N 0.779 121.107 120.300 0.047 0.000 2.181 169 Y HA 0.005 4.548 4.550 -0.011 0.000 0.288 169 Y C 2.077 178.007 175.900 0.050 0.000 1.146 169 Y CA 1.034 59.160 58.100 0.043 0.000 1.164 169 Y CB -1.248 37.227 38.460 0.026 0.000 0.982 169 Y HN 0.026 nan 8.280 nan 0.000 0.515 170 E N -0.156 119.859 120.200 -0.308 0.000 2.077 170 E HA -0.250 4.093 4.350 -0.012 0.000 0.193 170 E C 2.131 178.702 176.600 -0.048 0.000 0.989 170 E CA 1.197 57.493 56.400 -0.173 0.000 0.800 170 E CB -0.522 29.023 29.700 -0.258 0.000 0.746 170 E HN 0.611 nan 8.360 nan 0.000 0.452 171 H N 1.375 120.380 119.070 -0.107 0.000 2.352 171 H HA -0.125 4.424 4.556 -0.011 0.000 0.299 171 H C 2.013 177.327 175.328 -0.025 0.000 1.097 171 H CA 1.425 57.438 56.048 -0.058 0.000 1.311 171 H CB 0.043 29.774 29.762 -0.050 0.000 1.377 171 H HN 0.147 nan 8.280 nan 0.000 0.504 172 N N 0.773 119.551 118.700 0.130 0.000 2.120 172 N HA -0.155 4.578 4.740 -0.012 0.000 0.188 172 N C 1.908 177.430 175.510 0.021 0.000 1.024 172 N CA 1.284 54.390 53.050 0.093 0.000 0.852 172 N CB -0.001 38.558 38.487 0.119 0.000 1.003 172 N HN 0.553 nan 8.380 nan 0.000 0.424 173 Q N 0.397 120.209 119.800 0.020 0.000 2.050 173 Q HA -0.049 4.284 4.340 -0.012 0.000 0.202 173 Q C 2.413 178.389 176.000 -0.040 0.000 0.980 173 Q CA 1.166 56.972 55.803 0.005 0.000 0.840 173 Q CB -0.042 28.711 28.738 0.025 0.000 0.898 173 Q HN 0.372 nan 8.270 nan 0.000 0.424 174 L N -0.167 121.004 121.223 -0.087 0.000 1.989 174 L HA -0.229 4.104 4.340 -0.012 0.000 0.211 174 L C 2.469 179.252 176.870 -0.145 0.000 1.071 174 L CA 0.841 55.603 54.840 -0.129 0.000 0.749 174 L CB -0.405 41.544 42.059 -0.185 0.000 0.890 174 L HN 0.380 nan 8.230 nan 0.000 0.431 175 M N -0.743 118.738 119.600 -0.199 0.000 2.202 175 M HA -0.229 4.244 4.480 -0.012 0.000 0.262 175 M C 2.315 178.574 176.300 -0.068 0.000 1.063 175 M CA 1.548 56.760 55.300 -0.146 0.000 1.097 175 M CB -1.236 31.279 32.600 -0.142 0.000 1.382 175 M HN 0.216 nan 8.290 nan 0.000 0.413 176 R N -0.278 120.197 120.500 -0.043 0.000 2.081 176 R HA -0.186 4.148 4.340 -0.012 0.000 0.235 176 R C 2.314 178.604 176.300 -0.017 0.000 1.131 176 R CA 1.567 57.657 56.100 -0.016 0.000 0.960 176 R CB -0.054 30.245 30.300 -0.002 0.000 0.856 176 R HN 0.076 nan 8.270 nan 0.000 0.436 177 R N 0.595 121.079 120.500 -0.027 0.000 2.073 177 R HA -0.079 4.254 4.340 -0.012 0.000 0.229 177 R C 2.091 178.375 176.300 -0.028 0.000 1.120 177 R CA 1.226 57.312 56.100 -0.023 0.000 0.967 177 R CB -0.916 29.367 30.300 -0.027 0.000 0.862 177 R HN 0.265 nan 8.270 nan 0.000 0.436 178 L N 0.795 121.990 121.223 -0.047 0.000 2.013 178 L HA -0.149 4.185 4.340 -0.012 0.000 0.212 178 L C 2.397 179.247 176.870 -0.032 0.000 1.073 178 L CA 2.128 56.938 54.840 -0.050 0.000 0.753 178 L CB -0.538 41.477 42.059 -0.073 0.000 0.890 178 L HN 0.194 nan 8.230 nan 0.000 0.432 179 R N -1.163 119.322 120.500 -0.025 0.000 2.081 179 R HA -0.214 4.119 4.340 -0.012 0.000 0.235 179 R C 2.405 178.710 176.300 0.008 0.000 1.131 179 R CA 1.850 57.944 56.100 -0.010 0.000 0.960 179 R CB -0.253 30.043 30.300 -0.005 0.000 0.856 179 R HN 0.511 nan 8.270 nan 0.000 0.436 180 Q N -0.328 119.478 119.800 0.009 0.000 2.002 180 Q HA -0.186 4.147 4.340 -0.012 0.000 0.204 180 Q C 1.901 177.917 176.000 0.027 0.000 0.988 180 Q CA 1.690 57.508 55.803 0.024 0.000 0.843 180 Q CB -0.126 28.621 28.738 0.015 0.000 0.908 180 Q HN 0.224 nan 8.270 nan 0.000 0.420 181 L N 0.293 121.521 121.223 0.008 0.000 2.042 181 L HA -0.211 4.122 4.340 -0.012 0.000 0.210 181 L C 2.094 178.968 176.870 0.006 0.000 1.076 181 L CA 1.547 56.387 54.840 0.000 0.000 0.749 181 L CB -0.959 41.088 42.059 -0.019 0.000 0.893 181 L HN 0.362 nan 8.230 nan 0.000 0.432 182 I N -0.569 120.001 120.570 0.001 0.000 2.202 182 I HA -0.167 3.996 4.170 -0.012 0.000 0.242 182 I C 2.706 178.845 176.117 0.037 0.000 1.091 182 I CA 1.296 62.594 61.300 -0.003 0.000 1.368 182 I CB -1.786 36.192 38.000 -0.037 0.000 1.058 182 I HN 0.152 nan 8.210 nan 0.000 0.410 183 A N 0.152 123.009 122.820 0.061 0.000 1.892 183 A HA -0.309 4.004 4.320 -0.012 0.000 0.218 183 A C 2.289 179.989 177.584 0.192 0.000 1.188 183 A CA 2.019 54.145 52.037 0.148 0.000 0.631 183 A CB -0.829 18.285 19.000 0.189 0.000 0.822 183 A HN 0.473 nan 8.150 nan 0.000 0.447 184 Q N -0.424 119.451 119.800 0.126 0.000 2.012 184 Q HA -0.215 4.118 4.340 -0.012 0.000 0.211 184 Q C 2.480 178.530 176.000 0.083 0.000 1.009 184 Q CA 2.577 58.440 55.803 0.100 0.000 0.866 184 Q CB -0.307 28.460 28.738 0.049 0.000 0.945 184 Q HN 0.657 nan 8.270 nan 0.000 0.414 185 S N -0.507 115.227 115.700 0.057 0.000 2.419 185 S HA -0.156 4.307 4.470 -0.012 0.000 0.233 185 S C 1.081 175.713 174.600 0.053 0.000 1.016 185 S CA 0.810 59.034 58.200 0.040 0.000 0.974 185 S CB -0.362 62.857 63.200 0.032 0.000 0.786 185 S HN 0.519 nan 8.310 nan 0.000 0.492 186 W N 1.500 122.711 121.300 -0.149 0.000 2.418 186 W HA -0.101 4.553 4.660 -0.011 0.000 0.292 186 W C 1.518 177.882 176.519 -0.258 0.000 1.213 186 W CA 1.235 58.425 57.345 -0.259 0.000 1.283 186 W CB -0.199 29.020 29.460 -0.401 0.000 1.119 186 W HN 0.497 nan 8.180 nan 0.000 0.542 187 H N -1.056 117.955 119.070 -0.099 0.000 2.516 187 H HA 0.059 4.608 4.556 -0.012 0.000 0.284 187 H C 0.836 176.084 175.328 -0.134 0.000 0.999 187 H CA 1.171 57.119 56.048 -0.167 0.000 1.303 187 H CB -0.141 29.604 29.762 -0.028 0.000 1.452 187 H HN -0.275 nan 8.280 nan 0.000 0.530 188 T N 3.171 117.747 114.554 0.035 0.000 4.219 188 T HA -0.009 4.335 4.350 -0.012 0.000 0.263 188 T C -0.285 174.387 174.700 -0.047 0.000 1.217 188 T CA -0.279 61.822 62.100 0.003 0.000 1.145 188 T CB -0.727 68.152 68.868 0.019 0.000 1.298 188 T HN 0.339 nan 8.240 nan 0.000 0.999 189 D N 1.897 122.244 120.400 -0.088 0.000 2.249 189 D HA 0.165 4.798 4.640 -0.012 0.000 0.246 189 D C -0.244 176.016 176.300 -0.067 0.000 1.114 189 D CA -0.575 53.360 54.000 -0.109 0.000 0.854 189 D CB 1.324 42.015 40.800 -0.182 0.000 1.132 189 D HN 0.230 nan 8.370 nan 0.000 0.461 190 E N 2.483 122.653 120.200 -0.050 0.000 2.248 190 E HA 0.471 4.814 4.350 -0.012 0.000 0.267 190 E C -0.422 176.157 176.600 -0.035 0.000 0.877 190 E CA -0.948 55.432 56.400 -0.033 0.000 0.759 190 E CB 2.527 32.218 29.700 -0.015 0.000 1.182 190 E HN 0.433 nan 8.360 nan 0.000 0.418 191 I N 2.424 122.974 120.570 -0.033 0.000 2.534 191 I HA 0.163 4.326 4.170 -0.012 0.000 0.286 191 I C 0.290 176.390 176.117 -0.029 0.000 1.094 191 I CA -0.697 60.584 61.300 -0.032 0.000 1.055 191 I CB 1.673 39.653 38.000 -0.033 0.000 1.225 191 I HN 0.463 nan 8.210 nan 0.000 0.435 192 R N 4.569 125.051 120.500 -0.030 0.000 2.640 192 R HA 0.159 4.492 4.340 -0.012 0.000 0.270 192 R C -0.099 176.184 176.300 -0.028 0.000 1.024 192 R CA -0.059 56.023 56.100 -0.030 0.000 1.085 192 R CB 0.622 30.900 30.300 -0.036 0.000 0.963 192 R HN 0.441 nan 8.270 nan 0.000 0.426 193 K N 2.233 122.618 120.400 -0.026 0.000 2.308 193 K HA 0.208 4.521 4.320 -0.012 0.000 0.197 193 K C 0.073 176.658 176.600 -0.026 0.000 1.049 193 K CA 0.480 56.752 56.287 -0.025 0.000 0.991 193 K CB 0.293 32.779 32.500 -0.023 0.000 0.836 193 K HN 0.404 nan 8.250 nan 0.000 0.500 194 L N 0.523 121.730 121.223 -0.027 0.000 2.370 194 L HA 0.472 4.805 4.340 -0.012 0.000 0.266 194 L C -0.196 176.654 176.870 -0.033 0.000 1.002 194 L CA -1.346 53.477 54.840 -0.028 0.000 0.818 194 L CB 1.818 43.861 42.059 -0.025 0.000 1.325 194 L HN -0.095 nan 8.230 nan 0.000 0.418 195 R N 2.795 123.274 120.500 -0.035 0.000 2.478 195 R HA 0.007 4.340 4.340 -0.012 0.000 0.281 195 R C -2.159 174.115 176.300 -0.043 0.000 0.939 195 R CA -0.565 55.510 56.100 -0.041 0.000 1.120 195 R CB 0.205 30.483 30.300 -0.037 0.000 0.885 195 R HN 0.354 nan 8.270 nan 0.000 0.415 196 P HA 0.033 nan 4.420 nan 0.000 0.273 196 P C -1.029 176.241 177.300 -0.050 0.000 1.250 196 P CA -0.362 62.705 63.100 -0.056 0.000 0.793 196 P CB 1.135 32.788 31.700 -0.078 0.000 1.011 197 S N -0.736 114.936 115.700 -0.047 0.000 2.607 197 S HA 0.494 4.957 4.470 -0.012 0.000 0.303 197 S C -1.993 172.578 174.600 -0.048 0.000 1.086 197 S CA -1.698 56.477 58.200 -0.041 0.000 0.995 197 S CB 1.280 64.461 63.200 -0.031 0.000 1.084 197 S HN 0.098 nan 8.310 nan 0.000 0.507 198 P HA -0.145 nan 4.420 nan 0.000 0.218 198 P C 1.469 178.733 177.300 -0.060 0.000 1.152 198 P CA 1.063 64.138 63.100 -0.041 0.000 0.857 198 P CB -0.120 31.564 31.700 -0.026 0.000 0.787 199 V N -0.160 119.709 119.914 -0.075 0.000 2.358 199 V HA -0.218 3.895 4.120 -0.012 0.000 0.246 199 V C 2.017 178.055 176.094 -0.093 0.000 1.047 199 V CA 2.035 64.266 62.300 -0.116 0.000 1.035 199 V CB -1.192 30.525 31.823 -0.176 0.000 0.658 199 V HN 0.092 nan 8.190 nan 0.000 0.452 200 D N 0.431 120.793 120.400 -0.064 0.000 2.087 200 D HA -0.185 4.448 4.640 -0.012 0.000 0.192 200 D C 2.230 178.510 176.300 -0.032 0.000 0.993 200 D CA 1.668 55.645 54.000 -0.039 0.000 0.828 200 D CB -0.284 40.492 40.800 -0.039 0.000 0.968 200 D HN 0.572 nan 8.370 nan 0.000 0.448 201 E N 0.701 120.865 120.200 -0.060 0.000 2.097 201 E HA -0.171 4.172 4.350 -0.012 0.000 0.196 201 E C 2.081 178.666 176.600 -0.026 0.000 1.000 201 E CA 1.133 57.495 56.400 -0.063 0.000 0.804 201 E CB -0.134 29.509 29.700 -0.096 0.000 0.740 201 E HN 0.217 nan 8.360 nan 0.000 0.454 202 A N 1.374 124.123 122.820 -0.120 0.000 1.972 202 A HA -0.208 4.105 4.320 -0.012 0.000 0.219 202 A C 1.949 179.114 177.584 -0.698 0.000 1.169 202 A CA 1.446 53.293 52.037 -0.316 0.000 0.635 202 A CB -0.227 18.613 19.000 -0.266 0.000 0.810 202 A HN 0.040 nan 8.150 nan 0.000 0.446 203 K N -1.773 118.419 120.400 -0.346 0.000 2.103 203 K HA -0.139 4.174 4.320 -0.012 0.000 0.204 203 K C 1.688 178.259 176.600 -0.049 0.000 1.052 203 K CA 1.341 57.496 56.287 -0.221 0.000 0.945 203 K CB -0.272 32.232 32.500 0.007 0.000 0.722 203 K HN 0.735 nan 8.250 nan 0.000 0.443 204 W N 1.199 122.401 121.300 -0.163 0.000 2.342 204 W HA -0.159 4.494 4.660 -0.012 0.000 0.297 204 W C 1.763 178.244 176.519 -0.064 0.000 1.213 204 W CA 1.815 59.119 57.345 -0.068 0.000 1.251 204 W CB -0.461 28.975 29.460 -0.039 0.000 1.136 204 W HN 0.071 nan 8.180 nan 0.000 0.526 205 G N -0.149 108.731 108.800 0.133 0.000 2.432 205 G HA2 -0.272 3.681 3.960 -0.012 0.000 0.219 205 G HA3 -0.272 3.681 3.960 -0.012 0.000 0.219 205 G C 1.153 176.043 174.900 -0.017 0.000 1.135 205 G CA 0.949 46.038 45.100 -0.019 0.000 0.767 205 G HN 0.286 nan 8.290 nan 0.000 0.550 206 F N 1.566 121.531 119.950 0.025 0.000 2.259 206 F HA 0.250 4.770 4.527 -0.012 0.000 0.298 206 F C 2.847 178.585 175.800 -0.102 0.000 1.088 206 F CA -0.166 57.821 58.000 -0.022 0.000 1.358 206 F CB -0.911 38.103 39.000 0.023 0.000 1.040 206 F HN 0.240 nan 8.300 nan 0.000 0.505 207 A N 0.210 123.044 122.820 0.023 0.000 1.902 207 A HA -0.096 4.218 4.320 -0.012 0.000 0.217 207 A C 2.416 179.899 177.584 -0.169 0.000 1.181 207 A CA 1.883 53.871 52.037 -0.082 0.000 0.623 207 A CB -1.172 17.757 19.000 -0.118 0.000 0.818 207 A HN 0.158 nan 8.150 nan 0.000 0.443 208 V N -0.233 119.498 119.914 -0.304 0.000 2.343 208 V HA -0.224 3.889 4.120 -0.012 0.000 0.247 208 V C 2.574 178.567 176.094 -0.169 0.000 1.051 208 V CA 1.941 64.059 62.300 -0.303 0.000 1.036 208 V CB -0.827 30.724 31.823 -0.455 0.000 0.654 208 V HN 0.375 nan 8.190 nan 0.000 0.451 209 V N 1.211 121.062 119.914 -0.105 0.000 2.295 209 V HA -0.294 3.819 4.120 -0.012 0.000 0.246 209 V C 2.518 178.551 176.094 -0.102 0.000 1.049 209 V CA 2.459 64.708 62.300 -0.085 0.000 1.024 209 V CB -0.821 31.003 31.823 0.002 0.000 0.648 209 V HN 0.868 nan 8.190 nan 0.000 0.447 210 E N 0.004 120.122 120.200 -0.136 0.000 2.158 210 E HA -0.159 4.184 4.350 -0.012 0.000 0.191 210 E C 1.742 178.274 176.600 -0.112 0.000 0.982 210 E CA 1.196 57.473 56.400 -0.205 0.000 0.823 210 E CB -0.330 29.181 29.700 -0.314 0.000 0.766 210 E HN 0.544 nan 8.360 nan 0.000 0.468 211 N N -0.096 118.557 118.700 -0.078 0.000 2.467 211 N HA -0.011 4.722 4.740 -0.012 0.000 0.184 211 N C 1.011 176.517 175.510 -0.007 0.000 1.106 211 N CA 1.060 54.089 53.050 -0.035 0.000 0.892 211 N CB 0.975 39.449 38.487 -0.022 0.000 0.969 211 N HN 0.266 nan 8.380 nan 0.000 0.454 212 S N -1.018 114.678 115.700 -0.006 0.000 3.369 212 S HA 0.215 4.678 4.470 -0.012 0.000 0.251 212 S C 1.432 176.055 174.600 0.038 0.000 1.093 212 S CA -0.375 57.839 58.200 0.023 0.000 0.952 212 S CB -0.455 62.755 63.200 0.018 0.000 0.965 212 S HN 0.011 nan 8.310 nan 0.000 0.436 213 L N 0.955 122.170 121.223 -0.013 0.000 2.093 213 L HA 0.038 4.371 4.340 -0.012 0.000 0.208 213 L C 2.419 179.346 176.870 0.095 0.000 1.085 213 L CA 1.300 56.135 54.840 -0.008 0.000 0.755 213 L CB -0.594 41.352 42.059 -0.188 0.000 0.904 213 L HN 0.532 nan 8.230 nan 0.000 0.435 214 W N 1.561 122.724 121.300 -0.228 0.000 2.321 214 W HA -0.275 4.378 4.660 -0.012 0.000 0.306 214 W C 2.325 178.791 176.519 -0.089 0.000 1.217 214 W CA 2.006 59.174 57.345 -0.295 0.000 1.257 214 W CB -0.021 29.212 29.460 -0.379 0.000 1.145 214 W HN 0.314 nan 8.180 nan 0.000 0.509 215 Q N -1.134 118.732 119.800 0.111 0.000 2.123 215 Q HA 0.005 4.338 4.340 -0.012 0.000 0.196 215 Q C 2.569 178.609 176.000 0.067 0.000 0.958 215 Q CA 1.443 57.288 55.803 0.070 0.000 0.841 215 Q CB -0.952 27.837 28.738 0.085 0.000 0.915 215 Q HN 0.223 nan 8.270 nan 0.000 0.455 216 G N 0.414 109.271 108.800 0.096 0.000 2.491 216 G HA2 -0.267 3.686 3.960 -0.012 0.000 0.218 216 G HA3 -0.267 3.686 3.960 -0.012 0.000 0.218 216 G C 1.481 176.490 174.900 0.182 0.000 1.180 216 G CA 1.234 46.413 45.100 0.132 0.000 0.774 216 G HN 0.219 nan 8.290 nan 0.000 0.562 217 V N 2.254 122.286 119.914 0.197 0.000 2.255 217 V HA -0.132 3.981 4.120 -0.012 0.000 0.247 217 V C 0.391 176.598 176.094 0.188 0.000 1.051 217 V CA 2.373 64.826 62.300 0.254 0.000 1.018 217 V CB -1.315 30.643 31.823 0.226 0.000 0.641 217 V HN 0.321 nan 8.190 nan 0.000 0.445 218 P HA -0.089 nan 4.420 nan 0.000 0.216 218 P C 1.230 178.544 177.300 0.023 0.000 1.150 218 P CA 1.324 64.434 63.100 0.016 0.000 0.837 218 P CB -0.151 31.532 31.700 -0.029 0.000 0.786 219 N N -1.150 117.588 118.700 0.062 0.000 2.106 219 N HA -0.190 4.543 4.740 -0.012 0.000 0.188 219 N C 1.740 177.301 175.510 0.084 0.000 1.029 219 N CA 1.080 54.168 53.050 0.064 0.000 0.848 219 N CB -1.377 37.157 38.487 0.078 0.000 1.007 219 N HN 0.225 nan 8.380 nan 0.000 0.423 220 Y N 1.679 122.005 120.300 0.043 0.000 2.128 220 Y HA -0.121 4.422 4.550 -0.012 0.000 0.284 220 Y C 2.072 177.995 175.900 0.037 0.000 1.154 220 Y CA 1.373 59.502 58.100 0.048 0.000 1.149 220 Y CB -0.760 37.745 38.460 0.074 0.000 0.976 220 Y HN -0.028 nan 8.280 nan 0.000 0.505 221 L N -0.040 120.915 121.223 -0.445 0.000 2.201 221 L HA -0.153 4.180 4.340 -0.012 0.000 0.212 221 L C 2.825 179.546 176.870 -0.249 0.000 1.105 221 L CA 1.440 55.982 54.840 -0.497 0.000 0.775 221 L CB -0.462 41.438 42.059 -0.265 0.000 0.913 221 L HN 0.147 nan 8.230 nan 0.000 0.440 222 R N -0.554 119.871 120.500 -0.126 0.000 2.057 222 R HA -0.114 4.219 4.340 -0.012 0.000 0.229 222 R C 2.318 178.583 176.300 -0.058 0.000 1.136 222 R CA 0.952 57.016 56.100 -0.061 0.000 0.952 222 R CB 0.032 30.320 30.300 -0.019 0.000 0.848 222 R HN 0.184 nan 8.270 nan 0.000 0.430 223 E N 0.929 121.103 120.200 -0.044 0.000 2.038 223 E HA -0.236 4.107 4.350 -0.012 0.000 0.195 223 E C 1.946 178.523 176.600 -0.038 0.000 1.000 223 E CA 1.043 57.433 56.400 -0.016 0.000 0.803 223 E CB -0.564 29.154 29.700 0.030 0.000 0.750 223 E HN 0.184 nan 8.360 nan 0.000 0.448 224 L N 1.474 122.638 121.223 -0.099 0.000 2.043 224 L HA -0.241 4.092 4.340 -0.012 0.000 0.212 224 L C 1.739 178.564 176.870 -0.075 0.000 1.075 224 L CA 1.932 56.713 54.840 -0.098 0.000 0.752 224 L CB -0.504 41.388 42.059 -0.279 0.000 0.891 224 L HN 0.037 nan 8.230 nan 0.000 0.432 225 N N -0.799 117.849 118.700 -0.087 0.000 2.216 225 N HA -0.159 4.574 4.740 -0.012 0.000 0.183 225 N C 1.776 177.264 175.510 -0.035 0.000 1.017 225 N CA 1.079 54.102 53.050 -0.045 0.000 0.861 225 N CB 0.005 38.475 38.487 -0.027 0.000 0.986 225 N HN 0.407 nan 8.380 nan 0.000 0.428 226 E N 0.144 120.325 120.200 -0.031 0.000 2.051 226 E HA -0.130 4.213 4.350 -0.012 0.000 0.192 226 E C 1.782 178.362 176.600 -0.033 0.000 0.991 226 E CA 1.017 57.404 56.400 -0.022 0.000 0.799 226 E CB 0.060 29.752 29.700 -0.014 0.000 0.748 226 E HN 0.312 nan 8.360 nan 0.000 0.449 227 Q N -0.075 119.705 119.800 -0.033 0.000 2.124 227 Q HA -0.157 4.177 4.340 -0.012 0.000 0.202 227 Q C 2.393 178.350 176.000 -0.072 0.000 0.977 227 Q CA 0.988 56.769 55.803 -0.036 0.000 0.850 227 Q CB -0.198 28.532 28.738 -0.013 0.000 0.901 227 Q HN 0.395 nan 8.270 nan 0.000 0.429 228 L N 0.315 121.477 121.223 -0.102 0.000 2.017 228 L HA -0.189 4.144 4.340 -0.012 0.000 0.208 228 L C 2.525 179.237 176.870 -0.263 0.000 1.073 228 L CA 1.336 56.047 54.840 -0.214 0.000 0.745 228 L CB -0.468 41.452 42.059 -0.233 0.000 0.894 228 L HN 0.256 nan 8.230 nan 0.000 0.432 229 E N 0.117 120.223 120.200 -0.158 0.000 2.051 229 E HA -0.260 4.083 4.350 -0.012 0.000 0.192 229 E C 2.146 178.702 176.600 -0.074 0.000 0.991 229 E CA 1.283 57.622 56.400 -0.103 0.000 0.799 229 E CB 0.082 29.761 29.700 -0.035 0.000 0.748 229 E HN 0.347 nan 8.360 nan 0.000 0.449 230 E N 0.050 120.216 120.200 -0.057 0.000 2.012 230 E HA -0.220 4.123 4.350 -0.012 0.000 0.197 230 E C 1.819 178.395 176.600 -0.041 0.000 1.007 230 E CA 1.811 58.190 56.400 -0.036 0.000 0.816 230 E CB -0.064 29.621 29.700 -0.025 0.000 0.762 230 E HN 0.247 nan 8.360 nan 0.000 0.451 231 N N -0.091 118.576 118.700 -0.055 0.000 2.171 231 N HA -0.067 4.666 4.740 -0.012 0.000 0.184 231 N C 1.773 177.247 175.510 -0.060 0.000 1.021 231 N CA 0.981 54.004 53.050 -0.045 0.000 0.854 231 N CB 0.025 38.492 38.487 -0.035 0.000 0.994 231 N HN 0.143 nan 8.380 nan 0.000 0.426 232 L N -1.768 119.369 121.223 -0.143 0.000 2.513 232 L HA 0.353 4.686 4.340 -0.012 0.000 0.222 232 L C 1.002 177.814 176.870 -0.096 0.000 1.096 232 L CA 0.269 55.014 54.840 -0.158 0.000 0.857 232 L CB 0.094 41.943 42.059 -0.349 0.000 1.026 232 L HN 0.308 nan 8.230 nan 0.000 0.469 233 G N 0.218 108.951 108.800 -0.110 0.000 2.131 233 G HA2 -0.281 3.672 3.960 -0.012 0.000 0.223 233 G HA3 -0.281 3.672 3.960 -0.012 0.000 0.223 233 G C -0.121 174.872 174.900 0.157 0.000 0.990 233 G CA 0.163 45.290 45.100 0.046 0.000 0.671 233 G HN 0.436 nan 8.290 nan 0.000 0.521 234 Y N -2.295 118.019 120.300 0.024 0.000 2.624 234 Y HA 0.790 5.333 4.550 -0.012 0.000 0.334 234 Y C -0.573 175.347 175.900 0.033 0.000 1.155 234 Y CA -1.951 56.165 58.100 0.027 0.000 1.046 234 Y CB 0.893 39.365 38.460 0.021 0.000 1.316 234 Y HN 0.046 nan 8.280 nan 0.000 0.457 235 K N 2.777 123.288 120.400 0.186 0.000 2.259 235 K HA 0.546 4.859 4.320 -0.012 0.000 0.252 235 K C -0.849 175.864 176.600 0.188 0.000 0.936 235 K CA -0.899 55.459 56.287 0.119 0.000 0.810 235 K CB 2.626 35.180 32.500 0.089 0.000 1.143 235 K HN 0.678 nan 8.250 nan 0.000 0.427 236 L N 3.390 124.721 121.223 0.179 0.000 2.482 236 L HA 0.100 4.433 4.340 -0.012 0.000 0.273 236 L C -1.736 175.245 176.870 0.185 0.000 1.228 236 L CA -1.460 53.509 54.840 0.214 0.000 0.827 236 L CB -0.218 42.039 42.059 0.331 0.000 1.099 236 L HN 0.396 nan 8.230 nan 0.000 0.494 237 P HA 0.045 nan 4.420 nan 0.000 0.274 237 P C 0.790 178.190 177.300 0.167 0.000 1.231 237 P CA -0.421 62.773 63.100 0.156 0.000 0.790 237 P CB 0.991 32.764 31.700 0.120 0.000 0.951 238 V N 1.844 121.838 119.914 0.134 0.000 2.469 238 V HA -0.247 3.866 4.120 -0.012 0.000 0.251 238 V C 1.876 178.057 176.094 0.146 0.000 1.064 238 V CA 2.108 64.452 62.300 0.073 0.000 1.066 238 V CB -1.276 30.471 31.823 -0.128 0.000 0.667 238 V HN 0.606 nan 8.190 nan 0.000 0.461 239 E N -0.780 119.505 120.200 0.142 0.000 2.478 239 E HA -0.071 4.272 4.350 -0.012 0.000 0.198 239 E C 0.543 177.156 176.600 0.022 0.000 1.046 239 E CA 0.174 56.597 56.400 0.038 0.000 0.870 239 E CB -0.125 29.519 29.700 -0.093 0.000 0.818 239 E HN 0.573 nan 8.360 nan 0.000 0.527 240 F N 1.325 121.247 119.950 -0.048 0.000 2.313 240 F HA 0.293 4.813 4.527 -0.012 0.000 0.369 240 F C -0.730 175.050 175.800 -0.034 0.000 1.109 240 F CA -1.430 56.537 58.000 -0.055 0.000 1.132 240 F CB 0.703 39.688 39.000 -0.024 0.000 1.291 240 F HN -0.335 nan 8.300 nan 0.000 0.496 241 V N 9.583 129.191 119.914 -0.509 0.000 2.257 241 V HA 0.241 4.354 4.120 -0.012 0.000 0.269 241 V C -1.487 174.264 176.094 -0.573 0.000 1.040 241 V CA -1.076 60.947 62.300 -0.462 0.000 0.813 241 V CB 0.875 32.573 31.823 -0.208 0.000 1.065 241 V HN 0.603 nan 8.190 nan 0.000 0.457 242 P HA -0.026 nan 4.420 nan 0.000 0.236 242 P C 0.227 177.417 177.300 -0.184 0.000 1.172 242 P CA 0.758 63.568 63.100 -0.482 0.000 0.759 242 P CB 0.110 31.583 31.700 -0.378 0.000 0.843 243 V N -1.053 118.784 119.914 -0.129 0.000 2.667 243 V HA 0.578 4.692 4.120 -0.012 0.000 0.308 243 V C 0.163 176.162 176.094 -0.158 0.000 1.048 243 V CA -1.010 61.236 62.300 -0.089 0.000 0.928 243 V CB 2.028 33.878 31.823 0.046 0.000 1.004 243 V HN -0.139 nan 8.190 nan 0.000 0.444 244 R N 1.868 122.243 120.500 -0.210 0.000 2.548 244 R HA 0.630 4.963 4.340 -0.012 0.000 0.280 244 R C -1.928 174.228 176.300 -0.240 0.000 1.061 244 R CA -0.340 55.646 56.100 -0.190 0.000 0.915 244 R CB 2.273 32.480 30.300 -0.154 0.000 1.210 244 R HN 0.645 nan 8.270 nan 0.000 0.442 245 F N 0.573 120.412 119.950 -0.186 0.000 2.443 245 F HA 0.544 5.065 4.527 -0.011 0.000 0.335 245 F C 0.352 176.164 175.800 0.020 0.000 1.104 245 F CA -0.074 57.883 58.000 -0.073 0.000 1.013 245 F CB 2.491 41.478 39.000 -0.022 0.000 1.136 245 F HN 0.287 nan 8.300 nan 0.000 0.470 246 T N 1.172 115.828 114.554 0.169 0.000 2.906 246 T HA 0.570 4.914 4.350 -0.012 0.000 0.295 246 T C -1.088 173.754 174.700 0.237 0.000 1.075 246 T CA -0.834 61.372 62.100 0.176 0.000 1.005 246 T CB 1.975 70.897 68.868 0.090 0.000 1.136 246 T HN 0.519 nan 8.240 nan 0.000 0.498 247 S N -0.501 115.367 115.700 0.280 0.000 2.599 247 S HA 0.570 5.034 4.470 -0.012 0.000 0.287 247 S C -1.167 173.697 174.600 0.440 0.000 1.105 247 S CA -0.570 57.819 58.200 0.315 0.000 0.899 247 S CB 1.006 64.376 63.200 0.284 0.000 1.100 247 S HN 0.747 nan 8.310 nan 0.000 0.482 248 W N 1.734 123.109 121.300 0.125 0.000 3.008 248 W HA 0.457 5.111 4.660 -0.010 0.000 0.355 248 W C -0.109 176.448 176.519 0.064 0.000 1.095 248 W CA -0.665 56.737 57.345 0.095 0.000 1.738 248 W CB -0.355 29.167 29.460 0.104 0.000 1.091 248 W HN 0.474 nan 8.180 nan 0.000 0.574 249 M N 0.731 120.494 119.600 0.272 0.000 2.251 249 M HA 0.358 4.831 4.480 -0.012 0.000 0.346 249 M C 1.379 177.732 176.300 0.088 0.000 1.499 249 M CA 1.390 56.776 55.300 0.145 0.000 1.128 249 M CB 0.191 32.852 32.600 0.101 0.000 1.809 249 M HN 0.201 nan 8.290 nan 0.000 0.464 250 G N 1.986 110.816 108.800 0.049 0.000 2.143 250 G HA2 -0.212 3.741 3.960 -0.012 0.000 0.249 250 G HA3 -0.212 3.741 3.960 -0.012 0.000 0.249 250 G C 0.603 175.512 174.900 0.015 0.000 0.981 250 G CA 0.165 45.281 45.100 0.026 0.000 0.665 250 G HN 0.986 nan 8.290 nan 0.000 0.528 251 G N -0.882 107.917 108.800 -0.002 0.000 2.692 251 G HA2 0.375 4.329 3.960 -0.012 0.000 0.201 251 G HA3 0.375 4.329 3.960 -0.012 0.000 0.201 251 G C 0.130 174.902 174.900 -0.213 0.000 1.063 251 G CA 0.873 45.923 45.100 -0.083 0.000 0.790 251 G HN 0.512 nan 8.290 nan 0.000 0.599 252 D N 0.980 121.267 120.400 -0.188 0.000 2.380 252 D HA 0.232 4.865 4.640 -0.012 0.000 0.230 252 D C 1.617 177.822 176.300 -0.159 0.000 1.154 252 D CA -0.620 53.212 54.000 -0.280 0.000 0.859 252 D CB 0.664 41.342 40.800 -0.204 0.000 1.045 252 D HN 0.279 nan 8.370 nan 0.000 0.495 253 R N 2.518 122.913 120.500 -0.175 0.000 2.365 253 R HA 0.101 4.434 4.340 -0.012 0.000 0.223 253 R C -0.041 176.201 176.300 -0.096 0.000 0.899 253 R CA -0.476 55.557 56.100 -0.111 0.000 1.059 253 R CB -0.188 30.051 30.300 -0.102 0.000 1.086 253 R HN 0.243 nan 8.270 nan 0.000 0.522 254 D N 2.326 122.655 120.400 -0.117 0.000 2.536 254 D HA -0.020 4.613 4.640 -0.012 0.000 0.260 254 D C 0.990 177.264 176.300 -0.043 0.000 1.270 254 D CA 1.927 55.879 54.000 -0.079 0.000 0.934 254 D CB 0.015 40.768 40.800 -0.077 0.000 1.129 254 D HN 0.517 nan 8.370 nan 0.000 0.533 255 G N 4.018 112.794 108.800 -0.040 0.000 2.168 255 G HA2 -0.336 3.617 3.960 -0.012 0.000 0.263 255 G HA3 -0.336 3.617 3.960 -0.012 0.000 0.263 255 G C 0.471 175.354 174.900 -0.028 0.000 0.977 255 G CA 0.347 45.430 45.100 -0.027 0.000 0.659 255 G HN 0.692 nan 8.290 nan 0.000 0.533 256 N N 0.459 119.137 118.700 -0.037 0.000 2.696 256 N HA 0.460 5.193 4.740 -0.012 0.000 0.246 256 N C -1.186 174.301 175.510 -0.038 0.000 1.057 256 N CA -1.857 51.173 53.050 -0.034 0.000 0.867 256 N CB 1.451 39.920 38.487 -0.031 0.000 1.141 256 N HN -0.059 nan 8.380 nan 0.000 0.517 257 P HA -0.195 nan 4.420 nan 0.000 0.215 257 P C 0.655 177.936 177.300 -0.033 0.000 1.163 257 P CA 1.293 64.371 63.100 -0.036 0.000 0.894 257 P CB 0.174 31.854 31.700 -0.033 0.000 0.791 258 N N -0.682 118.000 118.700 -0.029 0.000 2.493 258 N HA -0.088 4.645 4.740 -0.012 0.000 0.191 258 N C 0.082 175.579 175.510 -0.022 0.000 1.041 258 N CA 0.791 53.827 53.050 -0.025 0.000 0.904 258 N CB -0.546 37.926 38.487 -0.025 0.000 0.948 258 N HN 0.123 nan 8.380 nan 0.000 0.446 259 V N 2.343 122.241 119.914 -0.028 0.000 2.218 259 V HA 0.093 4.206 4.120 -0.012 0.000 0.261 259 V C 0.728 176.805 176.094 -0.027 0.000 1.142 259 V CA -0.487 61.797 62.300 -0.026 0.000 0.965 259 V CB 0.124 31.926 31.823 -0.036 0.000 1.190 259 V HN 0.191 nan 8.190 nan 0.000 0.478 260 T N 0.729 115.274 114.554 -0.016 0.000 2.847 260 T HA 0.586 4.930 4.350 -0.012 0.000 0.279 260 T C 1.520 176.218 174.700 -0.003 0.000 0.984 260 T CA 0.071 62.162 62.100 -0.014 0.000 0.988 260 T CB 1.891 70.752 68.868 -0.011 0.000 1.040 260 T HN 0.444 nan 8.240 nan 0.000 0.528 261 A N 0.566 123.385 122.820 -0.001 0.000 1.978 261 A HA -0.104 4.209 4.320 -0.012 0.000 0.220 261 A C 2.030 179.629 177.584 0.025 0.000 1.170 261 A CA 1.736 53.781 52.037 0.012 0.000 0.636 261 A CB -1.051 17.957 19.000 0.013 0.000 0.810 261 A HN 0.910 nan 8.150 nan 0.000 0.448 262 D N 0.079 120.492 120.400 0.020 0.000 2.084 262 D HA -0.127 4.506 4.640 -0.012 0.000 0.194 262 D C 2.001 178.342 176.300 0.069 0.000 0.990 262 D CA 1.145 55.163 54.000 0.029 0.000 0.826 262 D CB -0.240 40.567 40.800 0.012 0.000 0.971 262 D HN 0.350 nan 8.370 nan 0.000 0.453 263 I N 1.203 121.814 120.570 0.067 0.000 2.163 263 I HA -0.240 3.924 4.170 -0.012 0.000 0.243 263 I C 2.297 178.471 176.117 0.096 0.000 1.085 263 I CA 1.211 62.567 61.300 0.094 0.000 1.347 263 I CB -1.477 36.550 38.000 0.044 0.000 1.044 263 I HN 0.022 nan 8.210 nan 0.000 0.408 264 T N 0.533 115.124 114.554 0.062 0.000 2.684 264 T HA -0.244 4.099 4.350 -0.012 0.000 0.267 264 T C 2.067 176.828 174.700 0.101 0.000 1.036 264 T CA 1.645 63.784 62.100 0.065 0.000 1.148 264 T CB -0.357 68.533 68.868 0.036 0.000 0.863 264 T HN 0.289 nan 8.240 nan 0.000 0.436 265 R N -0.148 120.411 120.500 0.098 0.000 2.083 265 R HA -0.175 4.158 4.340 -0.012 0.000 0.237 265 R C 2.346 178.740 176.300 0.156 0.000 1.137 265 R CA 1.964 58.127 56.100 0.105 0.000 0.951 265 R CB -0.433 29.908 30.300 0.069 0.000 0.851 265 R HN 0.651 nan 8.270 nan 0.000 0.434 266 H N -0.654 118.437 119.070 0.035 0.000 2.251 266 H HA -0.146 4.403 4.556 -0.012 0.000 0.294 266 H C 2.026 177.401 175.328 0.078 0.000 1.078 266 H CA 1.961 58.030 56.048 0.035 0.000 1.246 266 H CB 0.046 29.820 29.762 0.019 0.000 1.358 266 H HN 0.075 nan 8.280 nan 0.000 0.488 267 V N 1.216 121.217 119.914 0.146 0.000 2.324 267 V HA -0.308 3.805 4.120 -0.012 0.000 0.250 267 V C 2.781 179.000 176.094 0.208 0.000 1.060 267 V CA 1.847 64.222 62.300 0.124 0.000 1.042 267 V CB -0.663 31.221 31.823 0.103 0.000 0.650 267 V HN 0.425 nan 8.190 nan 0.000 0.450 268 L N -1.080 120.251 121.223 0.181 0.000 2.042 268 L HA -0.227 4.106 4.340 -0.012 0.000 0.210 268 L C 2.397 179.380 176.870 0.187 0.000 1.076 268 L CA 1.606 56.553 54.840 0.178 0.000 0.749 268 L CB -0.334 41.814 42.059 0.148 0.000 0.893 268 L HN 0.329 nan 8.230 nan 0.000 0.432 269 L N -1.063 120.274 121.223 0.190 0.000 2.005 269 L HA -0.254 4.079 4.340 -0.012 0.000 0.207 269 L C 2.499 179.495 176.870 0.211 0.000 1.072 269 L CA 1.113 56.062 54.840 0.182 0.000 0.744 269 L CB -0.387 41.757 42.059 0.141 0.000 0.895 269 L HN 0.254 nan 8.230 nan 0.000 0.433 270 L N -0.629 120.733 121.223 0.232 0.000 2.013 270 L HA -0.293 4.040 4.340 -0.012 0.000 0.212 270 L C 2.759 179.719 176.870 0.150 0.000 1.073 270 L CA 1.581 56.563 54.840 0.237 0.000 0.753 270 L CB -0.311 41.906 42.059 0.264 0.000 0.890 270 L HN 0.309 nan 8.230 nan 0.000 0.432 271 S N -0.443 115.332 115.700 0.125 0.000 2.365 271 S HA -0.239 4.224 4.470 -0.012 0.000 0.225 271 S C 1.886 176.461 174.600 -0.042 0.000 1.039 271 S CA 1.442 59.589 58.200 -0.089 0.000 1.033 271 S CB -0.323 62.967 63.200 0.151 0.000 0.887 271 S HN 0.423 nan 8.310 nan 0.000 0.447 272 R N -0.413 120.146 120.500 0.098 0.000 2.092 272 R HA -0.097 4.236 4.340 -0.012 0.000 0.231 272 R C 2.111 178.472 176.300 0.102 0.000 1.119 272 R CA 1.442 57.611 56.100 0.115 0.000 0.970 272 R CB -0.334 30.066 30.300 0.166 0.000 0.864 272 R HN 0.555 nan 8.270 nan 0.000 0.440 273 W N 2.295 123.588 121.300 -0.012 0.000 2.354 273 W HA -0.232 4.420 4.660 -0.012 0.000 0.315 273 W C 2.155 178.619 176.519 -0.091 0.000 1.206 273 W CA 1.562 58.892 57.345 -0.025 0.000 1.290 273 W CB -0.137 29.311 29.460 -0.019 0.000 1.152 273 W HN -0.155 nan 8.180 nan 0.000 0.489 274 K N 0.760 121.103 120.400 -0.096 0.000 2.103 274 K HA -0.131 4.182 4.320 -0.012 0.000 0.207 274 K C 2.053 178.377 176.600 -0.461 0.000 1.048 274 K CA 1.951 57.967 56.287 -0.453 0.000 0.930 274 K CB -0.882 31.311 32.500 -0.512 0.000 0.716 274 K HN 0.154 nan 8.250 nan 0.000 0.444 275 A N -0.680 122.002 122.820 -0.229 0.000 2.015 275 A HA -0.127 4.186 4.320 -0.012 0.000 0.219 275 A C 2.282 179.901 177.584 0.057 0.000 1.163 275 A CA 2.091 54.128 52.037 -0.001 0.000 0.646 275 A CB -0.946 18.205 19.000 0.252 0.000 0.806 275 A HN 0.406 nan 8.150 nan 0.000 0.448 276 T N -0.580 113.890 114.554 -0.139 0.000 2.777 276 T HA -0.116 4.227 4.350 -0.012 0.000 0.266 276 T C 1.733 176.239 174.700 -0.324 0.000 1.040 276 T CA 1.654 63.654 62.100 -0.167 0.000 1.141 276 T CB -0.339 68.392 68.868 -0.228 0.000 0.868 276 T HN 0.649 nan 8.240 nan 0.000 0.444 277 D N 0.819 120.831 120.400 -0.647 0.000 2.088 277 D HA -0.078 4.556 4.640 -0.012 0.000 0.191 277 D C 2.086 178.085 176.300 -0.502 0.000 0.992 277 D CA 1.323 54.923 54.000 -0.667 0.000 0.831 277 D CB -0.372 39.873 40.800 -0.925 0.000 0.973 277 D HN 0.349 nan 8.370 nan 0.000 0.447 278 L N -0.932 119.910 121.223 -0.636 0.000 2.046 278 L HA -0.094 4.239 4.340 -0.012 0.000 0.208 278 L C 2.496 179.003 176.870 -0.605 0.000 1.077 278 L CA 0.668 54.978 54.840 -0.884 0.000 0.747 278 L CB -0.639 40.419 42.059 -1.669 0.000 0.896 278 L HN 0.032 nan 8.230 nan 0.000 0.432 279 F N -0.300 119.525 119.950 -0.209 0.000 2.269 279 F HA -0.204 4.316 4.527 -0.011 0.000 0.301 279 F C 2.233 178.007 175.800 -0.044 0.000 1.082 279 F CA 0.974 58.973 58.000 -0.001 0.000 1.360 279 F CB -0.382 38.641 39.000 0.039 0.000 1.041 279 F HN -0.025 nan 8.300 nan 0.000 0.512 280 L N 0.456 121.690 121.223 0.018 0.000 2.017 280 L HA -0.207 4.127 4.340 -0.012 0.000 0.208 280 L C 2.206 179.057 176.870 -0.031 0.000 1.073 280 L CA 1.770 56.600 54.840 -0.016 0.000 0.745 280 L CB -1.168 40.842 42.059 -0.081 0.000 0.894 280 L HN 0.095 nan 8.230 nan 0.000 0.432 281 K N -0.613 119.725 120.400 -0.103 0.000 2.063 281 K HA -0.212 4.101 4.320 -0.012 0.000 0.208 281 K C 1.736 178.328 176.600 -0.013 0.000 1.048 281 K CA 1.689 57.924 56.287 -0.087 0.000 0.928 281 K CB -0.305 32.098 32.500 -0.163 0.000 0.713 281 K HN 0.266 nan 8.250 nan 0.000 0.442 282 D N 0.816 121.238 120.400 0.036 0.000 2.097 282 D HA -0.128 4.505 4.640 -0.012 0.000 0.195 282 D C 1.809 178.168 176.300 0.098 0.000 0.989 282 D CA 0.947 55.016 54.000 0.114 0.000 0.827 282 D CB -0.073 40.859 40.800 0.220 0.000 0.966 282 D HN 0.052 nan 8.370 nan 0.000 0.456 283 I N 0.840 121.473 120.570 0.106 0.000 2.394 283 I HA -0.162 4.001 4.170 -0.012 0.000 0.251 283 I C 2.176 178.321 176.117 0.047 0.000 1.136 283 I CA 0.915 62.263 61.300 0.080 0.000 1.425 283 I CB -1.000 37.049 38.000 0.081 0.000 1.079 283 I HN 0.090 nan 8.210 nan 0.000 0.425 284 Q N 0.908 120.726 119.800 0.030 0.000 2.002 284 Q HA -0.149 4.184 4.340 -0.012 0.000 0.204 284 Q C 2.594 178.607 176.000 0.022 0.000 0.988 284 Q CA 1.460 57.273 55.803 0.018 0.000 0.843 284 Q CB -0.847 27.892 28.738 0.003 0.000 0.908 284 Q HN 0.356 nan 8.270 nan 0.000 0.420 285 V N 1.390 121.317 119.914 0.023 0.000 2.250 285 V HA -0.302 3.812 4.120 -0.012 0.000 0.250 285 V C 2.540 178.649 176.094 0.026 0.000 1.060 285 V CA 1.948 64.262 62.300 0.023 0.000 1.030 285 V CB -0.770 31.070 31.823 0.029 0.000 0.643 285 V HN 0.259 nan 8.190 nan 0.000 0.445 286 L N -0.682 120.563 121.223 0.036 0.000 2.093 286 L HA -0.126 4.207 4.340 -0.012 0.000 0.208 286 L C 2.408 179.301 176.870 0.037 0.000 1.085 286 L CA 0.985 55.846 54.840 0.035 0.000 0.755 286 L CB -0.531 41.555 42.059 0.046 0.000 0.904 286 L HN 0.183 nan 8.230 nan 0.000 0.435 287 V N -0.427 119.511 119.914 0.040 0.000 2.407 287 V HA -0.274 3.839 4.120 -0.012 0.000 0.248 287 V C 2.556 178.675 176.094 0.041 0.000 1.055 287 V CA 2.075 64.401 62.300 0.045 0.000 1.049 287 V CB -0.593 31.253 31.823 0.039 0.000 0.662 287 V HN 0.644 nan 8.190 nan 0.000 0.455 288 S N -0.468 115.249 115.700 0.029 0.000 2.388 288 S HA -0.092 4.371 4.470 -0.012 0.000 0.223 288 S C 1.812 176.422 174.600 0.018 0.000 1.034 288 S CA 0.909 59.123 58.200 0.023 0.000 0.963 288 S CB -0.302 62.908 63.200 0.017 0.000 0.827 288 S HN 0.638 nan 8.310 nan 0.000 0.481 289 E N 0.885 121.092 120.200 0.012 0.000 2.285 289 E HA 0.166 4.509 4.350 -0.012 0.000 0.194 289 E C 0.007 176.599 176.600 -0.013 0.000 0.997 289 E CA 0.292 56.691 56.400 -0.002 0.000 0.845 289 E CB -0.123 29.573 29.700 -0.008 0.000 0.782 289 E HN 0.500 nan 8.360 nan 0.000 0.491 290 L N 1.628 122.850 121.223 -0.001 0.000 2.423 290 L HA 0.132 4.465 4.340 -0.012 0.000 0.249 290 L C 0.384 177.280 176.870 0.043 0.000 1.276 290 L CA -0.214 54.617 54.840 -0.014 0.000 1.199 290 L CB 0.446 42.509 42.059 0.007 0.000 1.407 290 L HN -0.000 nan 8.230 nan 0.000 0.410 291 S N 0.342 116.055 115.700 0.021 0.000 2.605 291 S HA 0.198 4.661 4.470 -0.012 0.000 0.217 291 S C 0.700 175.334 174.600 0.056 0.000 0.958 291 S CA -0.387 57.839 58.200 0.043 0.000 0.919 291 S CB -0.153 63.060 63.200 0.022 0.000 0.780 291 S HN 0.406 nan 8.310 nan 0.000 0.507 292 M N 1.230 120.859 119.600 0.048 0.000 2.252 292 M HA 0.081 4.554 4.480 -0.012 0.000 0.329 292 M C 1.030 177.450 176.300 0.199 0.000 1.101 292 M CA 0.392 55.736 55.300 0.072 0.000 1.117 292 M CB 0.058 32.620 32.600 -0.063 0.000 1.563 292 M HN -0.053 nan 8.290 nan 0.000 0.445 293 V N -0.620 119.382 119.914 0.146 0.000 3.548 293 V HA 0.140 4.253 4.120 -0.012 0.000 0.279 293 V C 0.035 176.189 176.094 0.101 0.000 1.446 293 V CA 0.050 62.416 62.300 0.111 0.000 1.023 293 V CB -0.489 31.365 31.823 0.052 0.000 0.820 293 V HN 0.813 nan 8.190 nan 0.000 0.438 294 E N 1.634 121.916 120.200 0.136 0.000 2.194 294 E HA 0.671 5.014 4.350 -0.012 0.000 0.284 294 E C -0.120 176.577 176.600 0.162 0.000 1.035 294 E CA 0.131 56.592 56.400 0.101 0.000 0.836 294 E CB 1.638 31.380 29.700 0.069 0.000 1.070 294 E HN 0.458 nan 8.360 nan 0.000 0.401 295 A N 2.573 125.419 122.820 0.044 0.000 2.532 295 A HA 0.655 4.968 4.320 -0.012 0.000 0.290 295 A C -0.126 177.444 177.584 -0.023 0.000 1.143 295 A CA -0.871 51.149 52.037 -0.028 0.000 0.728 295 A CB 1.324 20.180 19.000 -0.240 0.000 1.317 295 A HN 0.568 nan 8.150 nan 0.000 0.414 296 T N -0.732 113.804 114.554 -0.031 0.000 2.874 296 T HA 0.487 4.830 4.350 -0.012 0.000 0.281 296 T C -1.984 172.695 174.700 -0.035 0.000 0.994 296 T CA -1.364 60.723 62.100 -0.022 0.000 1.015 296 T CB 0.718 69.578 68.868 -0.014 0.000 1.028 296 T HN 0.281 nan 8.240 nan 0.000 0.523 297 P HA -0.186 nan 4.420 nan 0.000 0.214 297 P C 1.401 178.685 177.300 -0.026 0.000 1.172 297 P CA 1.429 64.516 63.100 -0.022 0.000 0.925 297 P CB -0.007 31.686 31.700 -0.012 0.000 0.793 298 E N -0.802 119.385 120.200 -0.021 0.000 2.065 298 E HA -0.229 4.114 4.350 -0.012 0.000 0.201 298 E C 2.029 178.608 176.600 -0.034 0.000 1.016 298 E CA 1.210 57.598 56.400 -0.020 0.000 0.818 298 E CB -0.999 28.693 29.700 -0.013 0.000 0.749 298 E HN 0.116 nan 8.360 nan 0.000 0.453 299 L N 0.482 121.670 121.223 -0.058 0.000 2.056 299 L HA -0.130 4.203 4.340 -0.012 0.000 0.207 299 L C 2.080 178.890 176.870 -0.100 0.000 1.078 299 L CA 1.363 56.145 54.840 -0.096 0.000 0.749 299 L CB -0.108 41.849 42.059 -0.170 0.000 0.901 299 L HN 0.107 nan 8.230 nan 0.000 0.433 300 L N -0.791 120.378 121.223 -0.090 0.000 2.046 300 L HA -0.171 4.162 4.340 -0.012 0.000 0.208 300 L C 2.705 179.550 176.870 -0.042 0.000 1.077 300 L CA 1.201 55.997 54.840 -0.074 0.000 0.747 300 L CB -0.937 41.084 42.059 -0.063 0.000 0.896 300 L HN 0.343 nan 8.230 nan 0.000 0.432 301 A N -0.161 122.640 122.820 -0.032 0.000 1.892 301 A HA -0.237 4.076 4.320 -0.012 0.000 0.218 301 A C 2.204 179.784 177.584 -0.007 0.000 1.188 301 A CA 1.582 53.609 52.037 -0.016 0.000 0.631 301 A CB -0.872 18.121 19.000 -0.012 0.000 0.822 301 A HN 0.307 nan 8.150 nan 0.000 0.447 302 L N -0.514 120.703 121.223 -0.010 0.000 2.349 302 L HA -0.118 4.216 4.340 -0.012 0.000 0.220 302 L C 1.939 178.825 176.870 0.027 0.000 1.130 302 L CA 1.549 56.391 54.840 0.002 0.000 0.791 302 L CB -0.452 41.600 42.059 -0.010 0.000 0.918 302 L HN 0.330 nan 8.230 nan 0.000 0.444 303 V N -1.570 118.364 119.914 0.034 0.000 3.058 303 V HA 0.302 4.415 4.120 -0.012 0.000 0.233 303 V C 1.077 177.196 176.094 0.041 0.000 1.255 303 V CA 0.511 62.869 62.300 0.096 0.000 1.267 303 V CB -0.328 31.563 31.823 0.114 0.000 1.049 303 V HN 0.408 nan 8.190 nan 0.000 0.486 304 G N 2.403 111.202 108.800 -0.003 0.000 2.329 304 G HA2 -0.215 3.738 3.960 -0.012 0.000 0.204 304 G HA3 -0.215 3.738 3.960 -0.012 0.000 0.204 304 G C -0.049 174.828 174.900 -0.037 0.000 0.435 304 G CA 1.114 46.202 45.100 -0.020 0.000 0.977 304 G HN 0.702 nan 8.290 nan 0.000 0.366 305 E N -0.461 119.702 120.200 -0.061 0.000 9.117 305 E HA -0.260 4.083 4.350 -0.012 0.000 0.474 305 E C 0.823 177.343 176.600 -0.134 0.000 1.367 305 E CA 0.909 57.262 56.400 -0.079 0.000 2.381 305 E CB -0.532 29.137 29.700 -0.052 0.000 1.023 305 E HN 1.336 nan 8.360 nan 0.000 0.272 306 E N -1.377 118.730 120.200 -0.154 0.000 4.234 306 E HA -0.320 4.023 4.350 -0.012 0.000 0.187 306 E C 0.909 177.271 176.600 -0.397 0.000 1.237 306 E CA 1.923 58.181 56.400 -0.236 0.000 2.362 306 E CB -1.612 27.949 29.700 -0.232 0.000 1.813 306 E HN 0.755 nan 8.360 nan 0.000 0.402 307 G N -0.703 107.740 108.800 -0.595 0.000 3.690 307 G HA2 0.579 4.533 3.960 -0.012 0.000 0.283 307 G HA3 0.579 4.533 3.960 -0.012 0.000 0.283 307 G C 0.532 175.270 174.900 -0.269 0.000 1.057 307 G CA 0.585 45.285 45.100 -0.667 0.000 0.821 307 G HN 0.467 nan 8.290 nan 0.000 0.526 308 A N 0.045 122.753 122.820 -0.186 0.000 2.276 308 A HA 0.628 4.941 4.320 -0.012 0.000 0.212 308 A C 1.794 179.328 177.584 -0.083 0.000 1.230 308 A CA 0.927 52.898 52.037 -0.109 0.000 0.844 308 A CB 0.038 18.987 19.000 -0.086 0.000 0.860 308 A HN 0.649 nan 8.150 nan 0.000 0.486 309 A N -0.634 122.136 122.820 -0.084 0.000 2.571 309 A HA 0.519 4.832 4.320 -0.012 0.000 0.274 309 A C 0.354 177.922 177.584 -0.027 0.000 1.196 309 A CA 0.495 52.502 52.037 -0.050 0.000 0.957 309 A CB 0.101 19.069 19.000 -0.053 0.000 1.150 309 A HN 0.430 nan 8.150 nan 0.000 0.539 310 E N -0.096 120.088 120.200 -0.027 0.000 2.722 310 E HA 0.069 4.413 4.350 -0.012 0.000 0.324 310 E C -2.437 174.187 176.600 0.041 0.000 1.060 310 E CA -0.628 55.787 56.400 0.024 0.000 0.902 310 E CB 0.624 30.336 29.700 0.020 0.000 1.302 310 E HN 0.153 nan 8.360 nan 0.000 0.401 311 P HA -0.180 nan 4.420 nan 0.000 0.213 311 P C 0.953 178.215 177.300 -0.062 0.000 1.170 311 P CA 1.266 64.312 63.100 -0.089 0.000 0.898 311 P CB -0.042 31.490 31.700 -0.280 0.000 0.787 312 Y N 0.020 120.349 120.300 0.049 0.000 2.293 312 Y HA -0.083 4.460 4.550 -0.012 0.000 0.291 312 Y C 3.032 178.962 175.900 0.050 0.000 1.137 312 Y CA 1.214 59.336 58.100 0.036 0.000 1.202 312 Y CB -0.992 37.475 38.460 0.011 0.000 0.990 312 Y HN -0.132 nan 8.280 nan 0.000 0.537 313 R N -0.777 119.854 120.500 0.219 0.000 2.115 313 R HA -0.203 4.130 4.340 -0.012 0.000 0.230 313 R C 2.029 178.436 176.300 0.179 0.000 1.111 313 R CA 1.091 57.287 56.100 0.159 0.000 0.976 313 R CB -0.732 29.646 30.300 0.130 0.000 0.870 313 R HN 0.294 nan 8.270 nan 0.000 0.445 314 Y N 1.251 121.563 120.300 0.021 0.000 2.049 314 Y HA -0.225 4.318 4.550 -0.011 0.000 0.277 314 Y C 1.807 177.711 175.900 0.006 0.000 1.143 314 Y CA 1.915 60.017 58.100 0.002 0.000 1.115 314 Y CB -0.742 37.705 38.460 -0.022 0.000 0.975 314 Y HN 0.027 nan 8.280 nan 0.000 0.487 315 L N -0.774 120.428 121.223 -0.035 0.000 2.081 315 L HA -0.333 4.000 4.340 -0.012 0.000 0.212 315 L C 2.391 179.211 176.870 -0.083 0.000 1.080 315 L CA 1.444 56.213 54.840 -0.118 0.000 0.754 315 L CB -0.661 41.378 42.059 -0.032 0.000 0.893 315 L HN 0.295 nan 8.230 nan 0.000 0.433 316 M N -0.722 118.874 119.600 -0.007 0.000 2.254 316 M HA -0.123 4.351 4.480 -0.012 0.000 0.265 316 M C 2.137 178.427 176.300 -0.017 0.000 1.066 316 M CA 1.436 56.739 55.300 0.005 0.000 1.123 316 M CB -0.873 31.755 32.600 0.045 0.000 1.388 316 M HN 0.177 nan 8.290 nan 0.000 0.425 317 K N 0.145 120.530 120.400 -0.025 0.000 2.097 317 K HA -0.100 4.213 4.320 -0.012 0.000 0.205 317 K C 1.811 178.359 176.600 -0.085 0.000 1.050 317 K CA 0.842 57.115 56.287 -0.022 0.000 0.938 317 K CB -0.043 32.482 32.500 0.042 0.000 0.718 317 K HN 0.324 nan 8.250 nan 0.000 0.442 318 N N 1.323 119.904 118.700 -0.198 0.000 2.058 318 N HA -0.159 4.574 4.740 -0.012 0.000 0.191 318 N C 1.860 177.300 175.510 -0.117 0.000 1.037 318 N CA 0.872 53.791 53.050 -0.219 0.000 0.848 318 N CB -0.240 38.040 38.487 -0.345 0.000 1.021 318 N HN 0.147 nan 8.380 nan 0.000 0.422 319 L N 1.242 122.408 121.223 -0.094 0.000 2.083 319 L HA -0.129 4.204 4.340 -0.012 0.000 0.209 319 L C 2.643 179.494 176.870 -0.033 0.000 1.083 319 L CA 0.966 55.772 54.840 -0.058 0.000 0.752 319 L CB -0.117 41.916 42.059 -0.043 0.000 0.899 319 L HN 0.147 nan 8.230 nan 0.000 0.433 320 R N -0.985 119.501 120.500 -0.023 0.000 2.091 320 R HA -0.197 4.136 4.340 -0.012 0.000 0.238 320 R C 2.391 178.686 176.300 -0.008 0.000 1.136 320 R CA 1.943 58.040 56.100 -0.005 0.000 0.959 320 R CB -0.256 30.045 30.300 0.002 0.000 0.856 320 R HN 0.195 nan 8.270 nan 0.000 0.437 321 S N -0.116 115.573 115.700 -0.017 0.000 2.355 321 S HA -0.116 4.347 4.470 -0.012 0.000 0.222 321 S C 1.896 176.490 174.600 -0.010 0.000 1.031 321 S CA 1.326 59.519 58.200 -0.010 0.000 0.993 321 S CB -0.204 62.984 63.200 -0.020 0.000 0.859 321 S HN 0.414 nan 8.310 nan 0.000 0.453 322 R N 0.168 120.653 120.500 -0.026 0.000 2.096 322 R HA -0.012 4.321 4.340 -0.012 0.000 0.235 322 R C 2.002 178.292 176.300 -0.016 0.000 1.127 322 R CA 1.165 57.248 56.100 -0.028 0.000 0.968 322 R CB -0.357 29.916 30.300 -0.046 0.000 0.861 322 R HN 0.290 nan 8.270 nan 0.000 0.440 323 L N 0.244 121.460 121.223 -0.013 0.000 2.072 323 L HA 0.003 4.336 4.340 -0.012 0.000 0.205 323 L C 2.110 178.986 176.870 0.009 0.000 1.079 323 L CA 1.702 56.539 54.840 -0.005 0.000 0.752 323 L CB -0.604 41.454 42.059 -0.002 0.000 0.906 323 L HN 0.331 nan 8.230 nan 0.000 0.436 324 M N -1.689 117.918 119.600 0.012 0.000 2.229 324 M HA -0.169 4.304 4.480 -0.012 0.000 0.264 324 M C 2.157 178.491 176.300 0.056 0.000 1.063 324 M CA 1.437 56.753 55.300 0.027 0.000 1.114 324 M CB -0.301 32.312 32.600 0.022 0.000 1.387 324 M HN 0.310 nan 8.290 nan 0.000 0.420 325 A N 0.203 123.051 122.820 0.047 0.000 1.832 325 A HA -0.189 4.124 4.320 -0.012 0.000 0.214 325 A C 2.196 179.850 177.584 0.117 0.000 1.200 325 A CA 2.400 54.476 52.037 0.065 0.000 0.610 325 A CB -1.422 17.593 19.000 0.025 0.000 0.842 325 A HN 0.493 nan 8.150 nan 0.000 0.444 326 T N -1.117 113.493 114.554 0.093 0.000 2.759 326 T HA -0.291 4.052 4.350 -0.012 0.000 0.269 326 T C 2.007 176.847 174.700 0.234 0.000 1.042 326 T CA 2.153 64.353 62.100 0.167 0.000 1.140 326 T CB -0.461 68.470 68.868 0.105 0.000 0.864 326 T HN 0.595 nan 8.240 nan 0.000 0.455 327 Q N 0.611 120.499 119.800 0.148 0.000 2.014 327 Q HA -0.114 4.219 4.340 -0.012 0.000 0.207 327 Q C 2.600 178.761 176.000 0.268 0.000 0.993 327 Q CA 2.164 58.068 55.803 0.167 0.000 0.850 327 Q CB -0.831 27.946 28.738 0.064 0.000 0.916 327 Q HN 0.688 nan 8.270 nan 0.000 0.417 328 A N 0.094 123.041 122.820 0.211 0.000 1.892 328 A HA -0.249 4.065 4.320 -0.012 0.000 0.218 328 A C 1.757 179.472 177.584 0.218 0.000 1.188 328 A CA 1.687 53.840 52.037 0.192 0.000 0.631 328 A CB -1.520 17.571 19.000 0.152 0.000 0.822 328 A HN 0.806 nan 8.150 nan 0.000 0.447 329 W N 0.559 121.905 121.300 0.076 0.000 2.332 329 W HA -0.194 4.458 4.660 -0.012 0.000 0.321 329 W C 1.912 178.480 176.519 0.082 0.000 1.219 329 W CA 2.165 59.549 57.345 0.065 0.000 1.277 329 W CB -0.648 28.844 29.460 0.054 0.000 1.161 329 W HN 0.276 nan 8.180 nan 0.000 0.476 330 L N 0.464 121.795 121.223 0.179 0.000 2.079 330 L HA -0.226 4.107 4.340 -0.012 0.000 0.210 330 L C 2.311 179.153 176.870 -0.047 0.000 1.081 330 L CA 1.909 56.752 54.840 0.004 0.000 0.752 330 L CB -1.064 41.141 42.059 0.243 0.000 0.896 330 L HN 0.082 nan 8.230 nan 0.000 0.433 331 E N 0.448 120.674 120.200 0.043 0.000 2.204 331 E HA -0.180 4.163 4.350 -0.012 0.000 0.194 331 E C 2.296 178.818 176.600 -0.129 0.000 0.989 331 E CA 0.987 57.340 56.400 -0.079 0.000 0.824 331 E CB -0.200 29.480 29.700 -0.032 0.000 0.756 331 E HN 0.559 nan 8.360 nan 0.000 0.477 332 A N 2.291 125.024 122.820 -0.145 0.000 1.841 332 A HA -0.149 4.164 4.320 -0.012 0.000 0.214 332 A C 2.164 179.595 177.584 -0.255 0.000 1.195 332 A CA 0.919 52.850 52.037 -0.176 0.000 0.611 332 A CB -0.260 18.643 19.000 -0.161 0.000 0.835 332 A HN 0.021 nan 8.150 nan 0.000 0.443 333 R N -0.215 120.034 120.500 -0.419 0.000 2.096 333 R HA -0.156 4.177 4.340 -0.012 0.000 0.240 333 R C 2.100 178.230 176.300 -0.283 0.000 1.139 333 R CA 1.563 57.407 56.100 -0.425 0.000 0.952 333 R CB -1.255 28.650 30.300 -0.658 0.000 0.854 333 R HN 0.547 nan 8.270 nan 0.000 0.436 334 L N 0.959 122.041 121.223 -0.234 0.000 2.081 334 L HA -0.204 4.129 4.340 -0.012 0.000 0.212 334 L C 2.493 179.233 176.870 -0.217 0.000 1.080 334 L CA 1.578 56.300 54.840 -0.197 0.000 0.754 334 L CB -0.344 41.637 42.059 -0.131 0.000 0.893 334 L HN 0.155 nan 8.230 nan 0.000 0.433 335 K N -0.620 119.670 120.400 -0.183 0.000 2.365 335 K HA -0.019 4.294 4.320 -0.012 0.000 0.199 335 K C 1.191 177.704 176.600 -0.146 0.000 1.045 335 K CA 0.748 56.945 56.287 -0.149 0.000 0.962 335 K CB 0.058 32.486 32.500 -0.120 0.000 0.759 335 K HN 0.462 nan 8.250 nan 0.000 0.469 336 G N 1.174 109.873 108.800 -0.168 0.000 2.148 336 G HA2 -0.209 3.744 3.960 -0.012 0.000 0.203 336 G HA3 -0.209 3.744 3.960 -0.012 0.000 0.203 336 G C -0.642 174.190 174.900 -0.114 0.000 0.993 336 G CA -0.348 44.667 45.100 -0.142 0.000 0.661 336 G HN 0.329 nan 8.290 nan 0.000 0.518 337 E N 0.883 121.009 120.200 -0.125 0.000 2.174 337 E HA 0.443 4.786 4.350 -0.012 0.000 0.282 337 E C -0.246 176.291 176.600 -0.104 0.000 0.992 337 E CA -0.396 55.947 56.400 -0.094 0.000 0.803 337 E CB 1.075 30.725 29.700 -0.083 0.000 1.090 337 E HN 0.547 nan 8.360 nan 0.000 0.396 338 E N 3.525 123.693 120.200 -0.052 0.000 2.175 338 E HA 0.486 4.829 4.350 -0.012 0.000 0.278 338 E C -0.726 175.897 176.600 0.039 0.000 0.969 338 E CA -0.542 55.848 56.400 -0.017 0.000 0.796 338 E CB 0.983 30.689 29.700 0.011 0.000 1.104 338 E HN 0.294 nan 8.360 nan 0.000 0.395 339 L N 0.574 121.865 121.223 0.114 0.000 2.565 339 L HA 0.501 4.835 4.340 -0.012 0.000 0.261 339 L C -2.767 174.290 176.870 0.311 0.000 0.932 339 L CA -2.607 52.332 54.840 0.166 0.000 0.878 339 L CB 0.885 43.022 42.059 0.130 0.000 1.333 339 L HN 0.236 nan 8.230 nan 0.000 0.409 340 P HA -0.017 nan 4.420 nan 0.000 0.265 340 P C -1.088 176.303 177.300 0.152 0.000 1.167 340 P CA 0.163 63.357 63.100 0.157 0.000 0.760 340 P CB 0.283 32.030 31.700 0.078 0.000 0.783 341 K N 3.585 123.935 120.400 -0.082 0.000 2.205 341 K HA 0.495 4.808 4.320 -0.012 0.000 0.279 341 K C -2.292 174.108 176.600 -0.333 0.000 1.027 341 K CA -1.912 54.030 56.287 -0.574 0.000 0.932 341 K CB -0.581 31.270 32.500 -1.082 0.000 1.032 341 K HN 0.231 nan 8.250 nan 0.000 0.466 342 P HA -0.088 nan 4.420 nan 0.000 0.267 342 P C 0.551 177.767 177.300 -0.141 0.000 1.201 342 P CA -0.212 62.806 63.100 -0.137 0.000 0.775 342 P CB 0.643 32.300 31.700 -0.072 0.000 0.854 343 E N 1.416 121.568 120.200 -0.081 0.000 2.068 343 E HA -0.211 4.132 4.350 -0.012 0.000 0.207 343 E C 1.110 177.663 176.600 -0.079 0.000 1.032 343 E CA 1.792 58.151 56.400 -0.067 0.000 0.839 343 E CB -0.602 29.074 29.700 -0.039 0.000 0.758 343 E HN 0.659 nan 8.360 nan 0.000 0.457 344 G N 0.607 109.363 108.800 -0.072 0.000 4.420 344 G HA2 0.306 4.259 3.960 -0.012 0.000 0.299 344 G HA3 0.306 4.259 3.960 -0.012 0.000 0.299 344 G C -0.563 174.286 174.900 -0.085 0.000 1.343 344 G CA -0.504 44.554 45.100 -0.070 0.000 1.272 344 G HN 0.092 nan 8.290 nan 0.000 0.610 345 L N 0.750 121.893 121.223 -0.133 0.000 2.416 345 L HA 0.387 4.720 4.340 -0.012 0.000 0.272 345 L C 0.079 176.885 176.870 -0.107 0.000 1.161 345 L CA -0.118 54.625 54.840 -0.161 0.000 0.845 345 L CB 0.748 42.607 42.059 -0.333 0.000 1.119 345 L HN 0.127 nan 8.230 nan 0.000 0.464 346 L N 5.180 126.365 121.223 -0.062 0.000 2.292 346 L HA 0.411 4.744 4.340 -0.012 0.000 0.284 346 L C 0.739 177.593 176.870 -0.027 0.000 1.065 346 L CA -0.004 54.809 54.840 -0.045 0.000 0.806 346 L CB 1.176 43.210 42.059 -0.042 0.000 1.175 346 L HN 0.876 nan 8.230 nan 0.000 0.431 347 T N -1.764 112.771 114.554 -0.032 0.000 3.010 347 T HA 0.188 4.531 4.350 -0.012 0.000 0.253 347 T C 0.381 175.070 174.700 -0.018 0.000 0.939 347 T CA -0.327 61.765 62.100 -0.013 0.000 0.910 347 T CB 0.538 69.391 68.868 -0.026 0.000 1.226 347 T HN 0.425 nan 8.240 nan 0.000 0.508 348 Q N 1.049 120.830 119.800 -0.032 0.000 2.377 348 Q HA 0.487 4.820 4.340 -0.012 0.000 0.271 348 Q C -0.096 175.882 176.000 -0.037 0.000 1.077 348 Q CA -0.499 55.282 55.803 -0.038 0.000 0.820 348 Q CB 2.082 30.794 28.738 -0.044 0.000 1.347 348 Q HN 0.220 nan 8.270 nan 0.000 0.444 349 N N 0.714 119.393 118.700 -0.035 0.000 2.205 349 N HA -0.216 4.517 4.740 -0.012 0.000 0.186 349 N C 0.786 176.311 175.510 0.025 0.000 1.015 349 N CA 0.999 54.037 53.050 -0.020 0.000 0.862 349 N CB 0.218 38.693 38.487 -0.019 0.000 0.986 349 N HN 0.491 nan 8.380 nan 0.000 0.429 350 E N 1.174 121.379 120.200 0.008 0.000 2.160 350 E HA -0.174 4.169 4.350 -0.012 0.000 0.195 350 E C 1.497 178.148 176.600 0.086 0.000 0.991 350 E CA 0.956 57.390 56.400 0.058 0.000 0.810 350 E CB -0.000 29.702 29.700 0.004 0.000 0.742 350 E HN 0.427 nan 8.360 nan 0.000 0.466 351 E N -0.259 119.955 120.200 0.024 0.000 2.204 351 E HA -0.130 4.213 4.350 -0.012 0.000 0.194 351 E C 1.876 178.472 176.600 -0.006 0.000 0.989 351 E CA 0.592 56.994 56.400 0.002 0.000 0.824 351 E CB 0.040 29.724 29.700 -0.027 0.000 0.756 351 E HN 0.261 nan 8.360 nan 0.000 0.477 352 L N -0.103 121.111 121.223 -0.016 0.000 2.130 352 L HA -0.034 4.299 4.340 -0.012 0.000 0.200 352 L C 2.385 179.273 176.870 0.029 0.000 1.075 352 L CA 0.371 55.176 54.840 -0.060 0.000 0.768 352 L CB -0.347 41.591 42.059 -0.202 0.000 0.933 352 L HN 0.379 nan 8.230 nan 0.000 0.451 353 W N 1.726 122.982 121.300 -0.074 0.000 2.301 353 W HA -0.285 4.368 4.660 -0.011 0.000 0.325 353 W C 2.105 178.642 176.519 0.030 0.000 1.250 353 W CA 2.198 59.523 57.345 -0.034 0.000 1.261 353 W CB -0.343 29.073 29.460 -0.073 0.000 1.157 353 W HN 0.280 nan 8.180 nan 0.000 0.473 354 E N -0.287 120.065 120.200 0.255 0.000 2.072 354 E HA -0.292 4.051 4.350 -0.012 0.000 0.218 354 E C 0.081 176.714 176.600 0.056 0.000 1.051 354 E CA 3.100 59.613 56.400 0.189 0.000 0.880 354 E CB -1.515 28.277 29.700 0.153 0.000 0.783 354 E HN 0.205 nan 8.360 nan 0.000 0.473 355 P HA -0.146 nan 4.420 nan 0.000 0.215 355 P C 1.720 179.000 177.300 -0.033 0.000 1.157 355 P CA 1.231 64.324 63.100 -0.013 0.000 0.863 355 P CB -0.209 31.475 31.700 -0.026 0.000 0.787 356 L N -2.059 119.115 121.223 -0.081 0.000 2.013 356 L HA -0.235 4.098 4.340 -0.012 0.000 0.212 356 L C 2.790 179.581 176.870 -0.132 0.000 1.073 356 L CA 1.765 56.538 54.840 -0.111 0.000 0.753 356 L CB -1.223 40.726 42.059 -0.185 0.000 0.890 356 L HN -0.060 nan 8.230 nan 0.000 0.432 357 Y N 0.420 120.446 120.300 -0.456 0.000 2.352 357 Y HA -0.174 4.370 4.550 -0.011 0.000 0.292 357 Y C 2.377 178.231 175.900 -0.076 0.000 1.136 357 Y CA 0.631 58.487 58.100 -0.406 0.000 1.227 357 Y CB -0.333 37.771 38.460 -0.592 0.000 0.991 357 Y HN 0.115 nan 8.280 nan 0.000 0.545 358 A N -0.918 121.867 122.820 -0.058 0.000 1.877 358 A HA -0.210 4.103 4.320 -0.012 0.000 0.216 358 A C 2.427 180.009 177.584 -0.003 0.000 1.186 358 A CA 1.767 53.770 52.037 -0.058 0.000 0.620 358 A CB -1.520 17.471 19.000 -0.014 0.000 0.822 358 A HN 0.564 nan 8.150 nan 0.000 0.443 359 C N -2.373 116.976 119.300 0.081 0.000 2.413 359 C HA -0.120 4.333 4.460 -0.012 0.000 0.277 359 C C 2.468 177.555 174.990 0.161 0.000 1.228 359 C CA 1.026 60.200 59.018 0.260 0.000 1.731 359 C CB -1.653 26.243 27.740 0.261 0.000 2.042 359 C HN 0.708 nan 8.230 nan 0.000 0.468 360 Y N 1.433 121.694 120.300 -0.065 0.000 2.102 360 Y HA -0.340 4.203 4.550 -0.011 0.000 0.280 360 Y C 2.710 178.537 175.900 -0.121 0.000 1.178 360 Y CA 2.294 60.332 58.100 -0.104 0.000 1.146 360 Y CB -0.592 37.799 38.460 -0.115 0.000 0.968 360 Y HN 0.418 nan 8.280 nan 0.000 0.504 361 Q N -0.576 119.216 119.800 -0.015 0.000 2.020 361 Q HA -0.210 4.123 4.340 -0.012 0.000 0.202 361 Q C 2.463 178.435 176.000 -0.046 0.000 0.982 361 Q CA 2.437 58.191 55.803 -0.081 0.000 0.838 361 Q CB -0.216 28.399 28.738 -0.205 0.000 0.899 361 Q HN 0.645 nan 8.270 nan 0.000 0.423 362 S N 0.733 116.450 115.700 0.028 0.000 2.368 362 S HA -0.128 4.335 4.470 -0.012 0.000 0.224 362 S C 2.011 176.666 174.600 0.091 0.000 1.029 362 S CA 0.783 59.040 58.200 0.095 0.000 0.988 362 S CB -0.622 62.666 63.200 0.145 0.000 0.838 362 S HN 0.262 nan 8.310 nan 0.000 0.462 363 L N 1.244 122.487 121.223 0.032 0.000 2.013 363 L HA -0.196 4.137 4.340 -0.012 0.000 0.212 363 L C 3.229 179.990 176.870 -0.182 0.000 1.073 363 L CA 1.572 56.310 54.840 -0.170 0.000 0.753 363 L CB -0.644 41.213 42.059 -0.336 0.000 0.890 363 L HN 0.383 nan 8.230 nan 0.000 0.432 364 Q N -0.454 119.198 119.800 -0.247 0.000 2.020 364 Q HA -0.223 4.110 4.340 -0.012 0.000 0.202 364 Q C 2.438 178.378 176.000 -0.100 0.000 0.982 364 Q CA 1.819 57.492 55.803 -0.216 0.000 0.838 364 Q CB -0.435 28.151 28.738 -0.253 0.000 0.899 364 Q HN 0.569 nan 8.270 nan 0.000 0.423 365 A N 0.563 123.347 122.820 -0.061 0.000 1.903 365 A HA -0.212 4.101 4.320 -0.012 0.000 0.219 365 A C 2.223 179.797 177.584 -0.017 0.000 1.191 365 A CA 1.674 53.696 52.037 -0.025 0.000 0.638 365 A CB -0.892 18.102 19.000 -0.009 0.000 0.823 365 A HN 0.503 nan 8.150 nan 0.000 0.451 366 C N -0.844 118.450 119.300 -0.010 0.000 2.524 366 C HA 0.456 4.910 4.460 -0.012 0.000 0.301 366 C C 1.845 176.822 174.990 -0.022 0.000 1.296 366 C CA 0.218 59.236 59.018 0.000 0.000 1.683 366 C CB -1.523 26.242 27.740 0.042 0.000 1.764 366 C HN 1.139 nan 8.230 nan 0.000 0.597 367 G N 0.606 109.381 108.800 -0.041 0.000 2.143 367 G HA2 -0.295 3.659 3.960 -0.012 0.000 0.249 367 G HA3 -0.295 3.659 3.960 -0.012 0.000 0.249 367 G C 0.232 175.092 174.900 -0.067 0.000 0.981 367 G CA 0.303 45.375 45.100 -0.046 0.000 0.665 367 G HN 0.552 nan 8.290 nan 0.000 0.528 368 M N 1.429 120.969 119.600 -0.100 0.000 2.972 368 M HA 0.370 4.843 4.480 -0.012 0.000 0.323 368 M C 2.027 178.228 176.300 -0.164 0.000 1.213 368 M CA 0.552 55.775 55.300 -0.129 0.000 0.935 368 M CB 0.475 32.977 32.600 -0.163 0.000 1.289 368 M HN 0.219 nan 8.290 nan 0.000 0.525 369 G N 1.432 110.146 108.800 -0.144 0.000 2.529 369 G HA2 -0.221 3.732 3.960 -0.012 0.000 0.219 369 G HA3 -0.221 3.732 3.960 -0.012 0.000 0.219 369 G C 1.308 176.126 174.900 -0.136 0.000 1.177 369 G CA 1.072 46.076 45.100 -0.160 0.000 0.773 369 G HN 0.594 nan 8.290 nan 0.000 0.573 370 I N 0.440 120.956 120.570 -0.091 0.000 2.454 370 I HA -0.095 4.068 4.170 -0.012 0.000 0.254 370 I C 2.404 178.477 176.117 -0.072 0.000 1.156 370 I CA 0.747 62.009 61.300 -0.064 0.000 1.433 370 I CB -0.659 37.314 38.000 -0.045 0.000 1.082 370 I HN 0.094 nan 8.210 nan 0.000 0.432 371 I N 1.750 122.257 120.570 -0.104 0.000 2.333 371 I HA -0.085 4.078 4.170 -0.012 0.000 0.246 371 I C 3.015 179.062 176.117 -0.117 0.000 1.106 371 I CA 1.245 62.480 61.300 -0.108 0.000 1.411 371 I CB -1.390 36.524 38.000 -0.144 0.000 1.082 371 I HN 0.132 nan 8.210 nan 0.000 0.420 372 A N 1.516 124.224 122.820 -0.186 0.000 1.865 372 A HA -0.207 4.106 4.320 -0.012 0.000 0.217 372 A C 1.873 179.435 177.584 -0.036 0.000 1.191 372 A CA 1.795 53.693 52.037 -0.232 0.000 0.623 372 A CB -0.846 17.790 19.000 -0.607 0.000 0.826 372 A HN 0.452 nan 8.150 nan 0.000 0.444 373 N N 0.213 118.898 118.700 -0.024 0.000 2.567 373 N HA 0.011 4.744 4.740 -0.012 0.000 0.195 373 N C 1.035 176.583 175.510 0.063 0.000 1.242 373 N CA 0.764 53.870 53.050 0.094 0.000 0.884 373 N CB 0.066 38.592 38.487 0.066 0.000 1.007 373 N HN 0.536 nan 8.380 nan 0.000 0.450 374 G N 0.782 109.602 108.800 0.033 0.000 3.411 374 G HA2 -0.010 3.943 3.960 -0.012 0.000 0.186 374 G HA3 -0.010 3.943 3.960 -0.012 0.000 0.186 374 G C 0.743 175.661 174.900 0.031 0.000 1.766 374 G CA -0.047 45.066 45.100 0.021 0.000 0.971 374 G HN 0.057 nan 8.290 nan 0.000 0.590 375 D N -0.117 120.296 120.400 0.022 0.000 2.182 375 D HA -0.118 4.515 4.640 -0.012 0.000 0.201 375 D C 2.438 178.763 176.300 0.041 0.000 0.986 375 D CA 0.714 54.732 54.000 0.030 0.000 0.847 375 D CB 0.109 40.925 40.800 0.027 0.000 0.942 375 D HN 0.059 nan 8.370 nan 0.000 0.467 376 L N 1.007 122.258 121.223 0.047 0.000 2.005 376 L HA -0.137 4.196 4.340 -0.012 0.000 0.207 376 L C 2.222 179.130 176.870 0.064 0.000 1.072 376 L CA 1.146 56.023 54.840 0.062 0.000 0.744 376 L CB -0.761 41.346 42.059 0.080 0.000 0.895 376 L HN -0.026 nan 8.230 nan 0.000 0.433 377 L N -0.280 121.005 121.223 0.103 0.000 2.043 377 L HA -0.272 4.061 4.340 -0.012 0.000 0.212 377 L C 2.018 178.904 176.870 0.027 0.000 1.075 377 L CA 1.971 56.857 54.840 0.077 0.000 0.752 377 L CB -1.126 41.009 42.059 0.127 0.000 0.891 377 L HN 0.338 nan 8.230 nan 0.000 0.432 378 D N -1.496 118.917 120.400 0.023 0.000 2.144 378 D HA -0.144 4.489 4.640 -0.012 0.000 0.199 378 D C 2.085 178.370 176.300 -0.024 0.000 0.984 378 D CA 1.730 55.723 54.000 -0.012 0.000 0.834 378 D CB -0.147 40.644 40.800 -0.015 0.000 0.955 378 D HN 0.366 nan 8.370 nan 0.000 0.465 379 T N 0.711 115.279 114.554 0.024 0.000 2.857 379 T HA -0.058 4.286 4.350 -0.012 0.000 0.266 379 T C 1.773 176.537 174.700 0.106 0.000 1.048 379 T CA 0.134 62.286 62.100 0.088 0.000 1.139 379 T CB -0.089 68.864 68.868 0.142 0.000 0.874 379 T HN 0.004 nan 8.240 nan 0.000 0.455 380 L N 1.860 123.092 121.223 0.015 0.000 2.012 380 L HA -0.058 4.275 4.340 -0.012 0.000 0.210 380 L C 2.478 179.442 176.870 0.158 0.000 1.073 380 L CA 1.766 56.574 54.840 -0.055 0.000 0.748 380 L CB -0.931 40.988 42.059 -0.234 0.000 0.891 380 L HN 0.261 nan 8.230 nan 0.000 0.431 381 R N -0.983 119.574 120.500 0.094 0.000 2.115 381 R HA -0.094 4.239 4.340 -0.012 0.000 0.230 381 R C 2.144 178.493 176.300 0.080 0.000 1.111 381 R CA 0.907 57.057 56.100 0.083 0.000 0.976 381 R CB -0.306 30.000 30.300 0.011 0.000 0.870 381 R HN 0.405 nan 8.270 nan 0.000 0.445 382 R N 0.455 120.996 120.500 0.069 0.000 2.148 382 R HA -0.009 4.324 4.340 -0.012 0.000 0.223 382 R C 2.235 178.769 176.300 0.390 0.000 1.088 382 R CA 0.699 56.871 56.100 0.120 0.000 0.985 382 R CB -0.370 29.665 30.300 -0.441 0.000 0.880 382 R HN -0.001 nan 8.270 nan 0.000 0.451 383 V N 2.038 122.188 119.914 0.393 0.000 2.231 383 V HA -0.316 3.797 4.120 -0.012 0.000 0.248 383 V C 2.122 178.357 176.094 0.235 0.000 1.054 383 V CA 1.938 64.445 62.300 0.344 0.000 1.015 383 V CB -0.343 31.663 31.823 0.304 0.000 0.638 383 V HN 0.332 nan 8.190 nan 0.000 0.444 384 K N -0.991 119.516 120.400 0.178 0.000 2.148 384 K HA -0.160 4.153 4.320 -0.012 0.000 0.204 384 K C 2.262 178.839 176.600 -0.039 0.000 1.050 384 K CA 1.522 57.817 56.287 0.015 0.000 0.942 384 K CB -0.580 31.870 32.500 -0.084 0.000 0.724 384 K HN 0.574 nan 8.250 nan 0.000 0.446 385 C N 0.288 119.541 119.300 -0.078 0.000 2.466 385 C HA -0.038 4.415 4.460 -0.012 0.000 0.278 385 C C 2.091 176.827 174.990 -0.422 0.000 1.288 385 C CA 0.553 59.365 59.018 -0.343 0.000 1.722 385 C CB -0.665 26.725 27.740 -0.583 0.000 2.017 385 C HN 0.382 nan 8.230 nan 0.000 0.488 386 F N 0.529 120.556 119.950 0.128 0.000 2.557 386 F HA 0.430 4.950 4.527 -0.012 0.000 0.278 386 F C 1.822 177.770 175.800 0.246 0.000 1.051 386 F CA 0.743 58.864 58.000 0.201 0.000 1.357 386 F CB -1.421 37.719 39.000 0.234 0.000 1.104 386 F HN 0.392 nan 8.300 nan 0.000 0.654 387 G N 1.469 110.573 108.800 0.507 0.000 2.668 387 G HA2 -0.286 3.667 3.960 -0.012 0.000 0.266 387 G HA3 -0.286 3.667 3.960 -0.012 0.000 0.266 387 G C 0.962 176.033 174.900 0.285 0.000 1.328 387 G CA 0.099 45.380 45.100 0.301 0.000 0.911 387 G HN 0.185 nan 8.290 nan 0.000 0.567 388 V N 2.035 121.999 119.914 0.084 0.000 2.250 388 V HA -0.210 3.903 4.120 -0.012 0.000 0.253 388 V C 0.629 176.804 176.094 0.134 0.000 1.065 388 V CA 3.294 65.632 62.300 0.064 0.000 1.039 388 V CB -1.293 30.540 31.823 0.015 0.000 0.647 388 V HN 0.752 nan 8.190 nan 0.000 0.446 389 P HA 0.048 nan 4.420 nan 0.000 0.233 389 P C 1.204 178.619 177.300 0.192 0.000 1.167 389 P CA 0.745 63.937 63.100 0.154 0.000 0.770 389 P CB 0.361 32.146 31.700 0.142 0.000 0.837 390 L N -3.231 118.152 121.223 0.267 0.000 3.246 390 L HA -0.214 4.119 4.340 -0.012 0.000 0.368 390 L C -0.199 176.913 176.870 0.404 0.000 3.893 390 L CA 1.795 56.833 54.840 0.330 0.000 1.714 390 L CB -1.379 40.757 42.059 0.128 0.000 3.108 390 L HN -0.082 nan 8.230 nan 0.000 0.819 391 V N 1.443 121.557 119.914 0.334 0.000 2.509 391 V HA 0.433 4.546 4.120 -0.012 0.000 0.289 391 V C 0.238 176.492 176.094 0.266 0.000 1.026 391 V CA -0.566 61.940 62.300 0.343 0.000 0.872 391 V CB 1.575 33.643 31.823 0.408 0.000 1.017 391 V HN 0.316 nan 8.190 nan 0.000 0.436 392 R N 4.122 124.743 120.500 0.202 0.000 2.734 392 R HA 0.423 4.756 4.340 -0.012 0.000 0.266 392 R C -0.366 176.042 176.300 0.180 0.000 1.044 392 R CA 0.165 56.359 56.100 0.157 0.000 1.128 392 R CB 0.638 30.998 30.300 0.100 0.000 1.010 392 R HN 0.557 nan 8.270 nan 0.000 0.461 393 I N 0.320 120.986 120.570 0.160 0.000 2.947 393 I HA 0.267 4.431 4.170 -0.012 0.000 0.314 393 I C -0.276 175.917 176.117 0.126 0.000 1.028 393 I CA -0.847 60.554 61.300 0.168 0.000 1.077 393 I CB 1.649 39.732 38.000 0.139 0.000 1.274 393 I HN 0.379 nan 8.210 nan 0.000 0.485 394 D N 2.320 122.790 120.400 0.117 0.000 2.481 394 D HA 0.515 5.148 4.640 -0.012 0.000 0.244 394 D C -0.746 175.430 176.300 -0.206 0.000 1.057 394 D CA -0.254 53.751 54.000 0.007 0.000 0.848 394 D CB 2.062 42.930 40.800 0.112 0.000 1.388 394 D HN 0.100 nan 8.370 nan 0.000 0.475 395 I N 1.612 122.013 120.570 -0.282 0.000 2.498 395 I HA 0.468 4.631 4.170 -0.012 0.000 0.301 395 I C 0.254 176.010 176.117 -0.601 0.000 0.984 395 I CA -0.622 60.406 61.300 -0.454 0.000 1.204 395 I CB 1.487 39.145 38.000 -0.570 0.000 1.362 395 I HN 0.339 nan 8.210 nan 0.000 0.471 396 R N 4.632 124.796 120.500 -0.561 0.000 2.508 396 R HA 0.509 4.842 4.340 -0.012 0.000 0.283 396 R C -1.665 174.470 176.300 -0.275 0.000 1.120 396 R CA -0.536 55.292 56.100 -0.453 0.000 0.958 396 R CB 1.944 31.865 30.300 -0.632 0.000 1.215 396 R HN 0.606 nan 8.270 nan 0.000 0.427 397 Q N 2.215 121.965 119.800 -0.082 0.000 2.451 397 Q HA 0.267 4.600 4.340 -0.012 0.000 0.281 397 Q C -1.287 174.725 176.000 0.019 0.000 1.099 397 Q CA -0.761 55.022 55.803 -0.033 0.000 0.806 397 Q CB 1.923 30.670 28.738 0.015 0.000 1.419 397 Q HN 0.684 nan 8.270 nan 0.000 0.427 398 E N 0.075 120.231 120.200 -0.074 0.000 2.392 398 E HA 0.245 4.588 4.350 -0.012 0.000 0.259 398 E C 0.192 176.780 176.600 -0.021 0.000 1.108 398 E CA 0.296 56.680 56.400 -0.027 0.000 0.916 398 E CB 0.909 30.591 29.700 -0.030 0.000 0.989 398 E HN 0.697 nan 8.360 nan 0.000 0.432 399 S N 1.855 117.609 115.700 0.090 0.000 2.368 399 S HA -0.212 4.251 4.470 -0.012 0.000 0.224 399 S C 1.925 176.586 174.600 0.102 0.000 1.029 399 S CA 1.510 59.825 58.200 0.191 0.000 0.988 399 S CB -0.819 62.466 63.200 0.141 0.000 0.838 399 S HN 0.646 nan 8.310 nan 0.000 0.462 400 T N 1.610 116.186 114.554 0.037 0.000 2.721 400 T HA -0.141 4.202 4.350 -0.012 0.000 0.268 400 T C 1.958 176.641 174.700 -0.028 0.000 1.038 400 T CA 1.790 63.899 62.100 0.015 0.000 1.145 400 T CB -0.365 68.503 68.868 0.001 0.000 0.858 400 T HN 0.461 nan 8.240 nan 0.000 0.459 401 R N -1.027 119.399 120.500 -0.124 0.000 2.148 401 R HA -0.021 4.312 4.340 -0.012 0.000 0.223 401 R C 2.167 178.360 176.300 -0.178 0.000 1.088 401 R CA 1.203 57.197 56.100 -0.177 0.000 0.985 401 R CB -0.087 30.079 30.300 -0.223 0.000 0.880 401 R HN 0.626 nan 8.270 nan 0.000 0.451 402 H N -1.703 117.382 119.070 0.025 0.000 2.395 402 H HA -0.002 4.546 4.556 -0.012 0.000 0.299 402 H C 1.922 177.242 175.328 -0.012 0.000 1.070 402 H CA 1.590 57.641 56.048 0.005 0.000 1.356 402 H CB 0.161 29.923 29.762 -0.000 0.000 1.401 402 H HN 0.072 nan 8.280 nan 0.000 0.524 403 T N 0.514 115.147 114.554 0.132 0.000 2.708 403 T HA -0.151 4.192 4.350 -0.012 0.000 0.266 403 T C 1.733 176.468 174.700 0.058 0.000 1.037 403 T CA 1.507 63.692 62.100 0.141 0.000 1.146 403 T CB -0.136 68.833 68.868 0.168 0.000 0.865 403 T HN 0.464 nan 8.240 nan 0.000 0.435 404 E N 0.883 121.099 120.200 0.027 0.000 2.077 404 E HA -0.068 4.275 4.350 -0.012 0.000 0.193 404 E C 2.552 179.153 176.600 0.001 0.000 0.989 404 E CA 0.946 57.347 56.400 0.003 0.000 0.800 404 E CB -0.228 29.464 29.700 -0.014 0.000 0.746 404 E HN 0.463 nan 8.360 nan 0.000 0.452 405 A N 1.092 123.916 122.820 0.006 0.000 1.865 405 A HA -0.196 4.117 4.320 -0.012 0.000 0.217 405 A C 2.094 179.703 177.584 0.042 0.000 1.191 405 A CA 1.223 53.282 52.037 0.036 0.000 0.623 405 A CB -0.601 18.432 19.000 0.055 0.000 0.826 405 A HN 0.154 nan 8.150 nan 0.000 0.444 406 L N -0.079 121.106 121.223 -0.062 0.000 2.201 406 L HA -0.024 4.309 4.340 -0.012 0.000 0.212 406 L C 2.518 179.259 176.870 -0.216 0.000 1.105 406 L CA 1.543 56.257 54.840 -0.210 0.000 0.775 406 L CB -1.235 40.480 42.059 -0.573 0.000 0.913 406 L HN 0.418 nan 8.230 nan 0.000 0.440 407 G N -1.045 107.687 108.800 -0.114 0.000 2.424 407 G HA2 -0.299 3.654 3.960 -0.012 0.000 0.214 407 G HA3 -0.299 3.654 3.960 -0.012 0.000 0.214 407 G C 1.438 176.314 174.900 -0.039 0.000 1.202 407 G CA 0.687 45.727 45.100 -0.100 0.000 0.793 407 G HN 0.458 nan 8.290 nan 0.000 0.534 408 E N -0.087 120.137 120.200 0.039 0.000 2.108 408 E HA -0.238 4.105 4.350 -0.012 0.000 0.203 408 E C 2.298 179.054 176.600 0.261 0.000 1.022 408 E CA 1.562 58.048 56.400 0.144 0.000 0.823 408 E CB -0.358 29.424 29.700 0.137 0.000 0.744 408 E HN 0.282 nan 8.360 nan 0.000 0.456 409 L N 1.102 122.470 121.223 0.242 0.000 1.955 409 L HA -0.210 4.123 4.340 -0.012 0.000 0.213 409 L C 2.681 179.550 176.870 -0.001 0.000 1.072 409 L CA 3.171 58.052 54.840 0.068 0.000 0.755 409 L CB -1.534 40.513 42.059 -0.020 0.000 0.888 409 L HN 0.503 nan 8.230 nan 0.000 0.432 410 T N -1.847 112.672 114.554 -0.058 0.000 2.665 410 T HA -0.301 4.042 4.350 -0.012 0.000 0.268 410 T C 1.948 176.639 174.700 -0.016 0.000 1.035 410 T CA 1.910 63.960 62.100 -0.083 0.000 1.151 410 T CB -0.628 68.085 68.868 -0.259 0.000 0.862 410 T HN 0.422 nan 8.240 nan 0.000 0.438 411 R N 0.158 120.664 120.500 0.010 0.000 2.096 411 R HA 0.057 4.390 4.340 -0.012 0.000 0.235 411 R C 2.272 178.624 176.300 0.087 0.000 1.127 411 R CA 1.361 57.487 56.100 0.044 0.000 0.968 411 R CB -1.250 29.079 30.300 0.048 0.000 0.861 411 R HN 0.587 nan 8.270 nan 0.000 0.440 412 Y N 1.191 121.501 120.300 0.018 0.000 2.165 412 Y HA -0.106 4.438 4.550 -0.010 0.000 0.286 412 Y C 1.555 177.420 175.900 -0.057 0.000 1.155 412 Y CA 1.435 59.545 58.100 0.015 0.000 1.164 412 Y CB -0.027 38.464 38.460 0.052 0.000 0.978 412 Y HN -0.037 nan 8.280 nan 0.000 0.513 413 L N -0.431 120.746 121.223 -0.076 0.000 2.552 413 L HA 0.062 4.396 4.340 -0.012 0.000 0.227 413 L C 1.789 178.598 176.870 -0.101 0.000 1.146 413 L CA 0.910 55.669 54.840 -0.136 0.000 0.858 413 L CB -0.923 41.108 42.059 -0.046 0.000 0.969 413 L HN 0.595 nan 8.230 nan 0.000 0.451 414 G N 0.429 109.189 108.800 -0.067 0.000 2.155 414 G HA2 -0.314 3.639 3.960 -0.012 0.000 0.257 414 G HA3 -0.314 3.639 3.960 -0.012 0.000 0.257 414 G C 0.803 175.712 174.900 0.016 0.000 0.983 414 G CA 0.562 45.643 45.100 -0.032 0.000 0.676 414 G HN 0.432 nan 8.290 nan 0.000 0.528 415 I N 0.206 120.803 120.570 0.045 0.000 2.617 415 I HA 0.362 4.525 4.170 -0.012 0.000 0.256 415 I C 1.746 177.978 176.117 0.192 0.000 1.167 415 I CA 1.210 62.571 61.300 0.102 0.000 1.469 415 I CB -0.234 37.847 38.000 0.135 0.000 1.098 415 I HN 0.803 nan 8.210 nan 0.000 0.436 416 G N 0.830 109.743 108.800 0.189 0.000 2.302 416 G HA2 -0.050 3.903 3.960 -0.012 0.000 0.264 416 G HA3 -0.050 3.903 3.960 -0.012 0.000 0.264 416 G C -1.899 173.064 174.900 0.105 0.000 1.335 416 G CA -0.427 44.855 45.100 0.303 0.000 0.982 416 G HN 0.087 nan 8.290 nan 0.000 0.473 417 D N -1.362 119.024 120.400 -0.024 0.000 2.375 417 D HA 0.435 5.068 4.640 -0.012 0.000 0.259 417 D C 0.682 176.340 176.300 -1.071 0.000 1.235 417 D CA -0.710 53.067 54.000 -0.372 0.000 0.924 417 D CB 0.598 41.299 40.800 -0.165 0.000 1.143 417 D HN 0.471 nan 8.370 nan 0.000 0.529 418 Y N 3.536 122.884 120.300 -1.586 0.000 2.132 418 Y HA -0.264 4.275 4.550 -0.017 0.000 0.280 418 Y C 1.612 176.994 175.900 -0.865 0.000 1.193 418 Y CA 2.369 59.415 58.100 -1.757 0.000 1.157 418 Y CB 0.270 38.122 38.460 -1.013 0.000 0.966 418 Y HN 0.552 nan 8.280 nan 0.000 0.511 419 E N -0.989 119.001 120.200 -0.351 0.000 2.335 419 E HA 0.027 4.370 4.350 -0.012 0.000 0.191 419 E C 0.580 177.062 176.600 -0.196 0.000 1.150 419 E CA 0.791 57.073 56.400 -0.197 0.000 1.001 419 E CB -0.129 29.541 29.700 -0.050 0.000 1.127 419 E HN 0.408 nan 8.360 nan 0.000 0.462 420 S N -0.575 114.966 115.700 -0.265 0.000 2.648 420 S HA 0.100 4.563 4.470 -0.012 0.000 0.270 420 S C -0.144 174.485 174.600 0.048 0.000 1.082 420 S CA -0.686 57.462 58.200 -0.086 0.000 1.116 420 S CB 0.037 63.216 63.200 -0.034 0.000 1.040 420 S HN 0.284 nan 8.310 nan 0.000 0.572 421 W N 4.590 125.805 121.300 -0.143 0.000 2.158 421 W HA 0.432 5.092 4.660 -0.001 0.000 0.339 421 W C 1.194 177.626 176.519 -0.146 0.000 1.294 421 W CA -1.497 55.758 57.345 -0.149 0.000 1.231 421 W CB -0.363 28.974 29.460 -0.205 0.000 1.143 421 W HN 0.219 nan 8.180 nan 0.000 0.571 422 S N 0.501 116.280 115.700 0.131 0.000 2.587 422 S HA -0.087 4.376 4.470 -0.012 0.000 0.260 422 S C 1.100 175.722 174.600 0.037 0.000 1.353 422 S CA 0.172 58.402 58.200 0.050 0.000 0.995 422 S CB 0.943 64.158 63.200 0.025 0.000 0.912 422 S HN 0.479 nan 8.310 nan 0.000 0.568 423 E N 1.143 121.352 120.200 0.014 0.000 2.204 423 E HA -0.057 4.287 4.350 -0.012 0.000 0.195 423 E C 1.886 178.501 176.600 0.025 0.000 0.990 423 E CA 1.554 57.961 56.400 0.012 0.000 0.821 423 E CB -0.815 28.894 29.700 0.015 0.000 0.750 423 E HN 0.766 nan 8.360 nan 0.000 0.477 424 A N 0.530 123.360 122.820 0.017 0.000 1.929 424 A HA -0.119 4.194 4.320 -0.012 0.000 0.216 424 A C 1.819 179.410 177.584 0.012 0.000 1.176 424 A CA 1.490 53.533 52.037 0.011 0.000 0.628 424 A CB -0.409 18.589 19.000 -0.003 0.000 0.816 424 A HN 0.242 nan 8.150 nan 0.000 0.444 425 D N 0.282 120.684 120.400 0.002 0.000 2.097 425 D HA -0.115 4.518 4.640 -0.012 0.000 0.197 425 D C 1.893 178.256 176.300 0.105 0.000 0.984 425 D CA 1.297 55.274 54.000 -0.038 0.000 0.826 425 D CB -0.268 40.458 40.800 -0.123 0.000 0.973 425 D HN 0.466 nan 8.370 nan 0.000 0.460 426 K N 0.674 121.182 120.400 0.180 0.000 2.063 426 K HA -0.160 4.153 4.320 -0.012 0.000 0.208 426 K C 2.215 179.003 176.600 0.313 0.000 1.048 426 K CA 0.979 57.422 56.287 0.260 0.000 0.928 426 K CB -0.229 32.214 32.500 -0.096 0.000 0.713 426 K HN 0.283 nan 8.250 nan 0.000 0.442 427 Q N 0.439 120.335 119.800 0.159 0.000 2.124 427 Q HA -0.103 4.230 4.340 -0.012 0.000 0.202 427 Q C 2.268 178.320 176.000 0.086 0.000 0.977 427 Q CA 1.322 57.194 55.803 0.115 0.000 0.850 427 Q CB -0.250 28.527 28.738 0.064 0.000 0.901 427 Q HN 0.364 nan 8.270 nan 0.000 0.429 428 A N 0.863 123.731 122.820 0.079 0.000 1.883 428 A HA -0.214 4.099 4.320 -0.012 0.000 0.217 428 A C 1.899 179.517 177.584 0.057 0.000 1.186 428 A CA 1.362 53.419 52.037 0.032 0.000 0.624 428 A CB -0.830 18.168 19.000 -0.003 0.000 0.822 428 A HN 0.463 nan 8.150 nan 0.000 0.444 429 F N 0.663 120.639 119.950 0.043 0.000 2.102 429 F HA -0.128 4.381 4.527 -0.030 0.000 0.298 429 F C 1.888 177.754 175.800 0.109 0.000 1.105 429 F CA 1.779 59.853 58.000 0.123 0.000 1.239 429 F CB -0.383 38.872 39.000 0.425 0.000 0.991 429 F HN 0.137 nan 8.300 nan 0.000 0.474 430 L N -0.056 121.169 121.223 0.003 0.000 2.056 430 L HA -0.206 4.127 4.340 -0.012 0.000 0.207 430 L C 2.466 179.148 176.870 -0.314 0.000 1.078 430 L CA 1.440 56.173 54.840 -0.178 0.000 0.749 430 L CB -0.714 41.393 42.059 0.081 0.000 0.901 430 L HN 0.167 nan 8.230 nan 0.000 0.433 431 I N -0.872 119.561 120.570 -0.228 0.000 2.394 431 I HA -0.239 3.924 4.170 -0.012 0.000 0.251 431 I C 2.813 178.713 176.117 -0.362 0.000 1.136 431 I CA 0.896 61.996 61.300 -0.333 0.000 1.425 431 I CB -0.324 37.562 38.000 -0.191 0.000 1.079 431 I HN 0.187 nan 8.210 nan 0.000 0.425 432 R N 0.925 121.253 120.500 -0.287 0.000 2.088 432 R HA -0.194 4.139 4.340 -0.012 0.000 0.232 432 R C 2.329 178.435 176.300 -0.324 0.000 1.136 432 R CA 1.726 57.671 56.100 -0.258 0.000 0.926 432 R CB -0.097 30.084 30.300 -0.198 0.000 0.837 432 R HN 0.218 nan 8.270 nan 0.000 0.429 433 E N 0.652 120.576 120.200 -0.461 0.000 2.085 433 E HA -0.193 4.150 4.350 -0.012 0.000 0.194 433 E C 1.977 178.363 176.600 -0.357 0.000 0.994 433 E CA 0.663 56.808 56.400 -0.424 0.000 0.801 433 E CB -0.350 28.983 29.700 -0.610 0.000 0.743 433 E HN 0.254 nan 8.360 nan 0.000 0.453 434 L N 1.623 122.575 121.223 -0.452 0.000 2.129 434 L HA -0.161 4.172 4.340 -0.012 0.000 0.212 434 L C 1.602 178.205 176.870 -0.444 0.000 1.087 434 L CA 1.537 56.063 54.840 -0.522 0.000 0.757 434 L CB -0.920 40.539 42.059 -1.000 0.000 0.896 434 L HN 0.202 nan 8.230 nan 0.000 0.434 435 N N -1.240 117.216 118.700 -0.408 0.000 2.412 435 N HA -0.051 4.682 4.740 -0.012 0.000 0.184 435 N C 0.617 176.046 175.510 -0.136 0.000 1.101 435 N CA -0.032 52.875 53.050 -0.237 0.000 0.881 435 N CB 0.565 38.924 38.487 -0.213 0.000 0.969 435 N HN 0.101 nan 8.380 nan 0.000 0.459 436 S N 0.725 116.334 115.700 -0.152 0.000 2.549 436 S HA 0.107 4.570 4.470 -0.012 0.000 0.279 436 S C 1.076 175.635 174.600 -0.068 0.000 1.321 436 S CA -0.120 58.017 58.200 -0.104 0.000 1.054 436 S CB 1.226 64.357 63.200 -0.115 0.000 0.899 436 S HN 0.074 nan 8.310 nan 0.000 0.497 437 K N 2.074 122.447 120.400 -0.045 0.000 2.400 437 K HA 0.094 4.407 4.320 -0.012 0.000 0.194 437 K C 0.637 177.223 176.600 -0.025 0.000 1.033 437 K CA 0.133 56.404 56.287 -0.027 0.000 1.021 437 K CB 0.206 32.696 32.500 -0.017 0.000 0.808 437 K HN 0.660 nan 8.250 nan 0.000 0.505 438 R N 1.126 121.608 120.500 -0.031 0.000 2.368 438 R HA 0.286 4.619 4.340 -0.012 0.000 0.302 438 R C -2.503 173.780 176.300 -0.028 0.000 1.002 438 R CA -1.760 54.326 56.100 -0.023 0.000 0.929 438 R CB 0.324 30.612 30.300 -0.020 0.000 1.073 438 R HN -0.194 nan 8.270 nan 0.000 0.464 439 P HA 0.006 nan 4.420 nan 0.000 0.271 439 P C -0.450 176.835 177.300 -0.024 0.000 1.244 439 P CA -0.364 62.723 63.100 -0.021 0.000 0.793 439 P CB 0.791 32.484 31.700 -0.010 0.000 0.984 440 L N -1.027 120.179 121.223 -0.028 0.000 2.806 440 L HA 0.262 4.595 4.340 -0.012 0.000 0.242 440 L C 0.534 177.360 176.870 -0.073 0.000 1.068 440 L CA 0.038 54.859 54.840 -0.032 0.000 0.923 440 L CB 0.126 42.177 42.059 -0.013 0.000 1.364 440 L HN 0.129 nan 8.230 nan 0.000 0.511 441 L N 2.763 123.951 121.223 -0.059 0.000 2.433 441 L HA 0.308 4.641 4.340 -0.012 0.000 0.275 441 L C -2.017 174.809 176.870 -0.074 0.000 1.128 441 L CA -1.597 53.194 54.840 -0.083 0.000 0.875 441 L CB -0.162 41.905 42.059 0.014 0.000 1.171 441 L HN -0.041 nan 8.230 nan 0.000 0.463 442 P HA 0.058 nan 4.420 nan 0.000 0.263 442 P C 0.545 177.873 177.300 0.046 0.000 1.195 442 P CA -0.173 62.879 63.100 -0.080 0.000 0.762 442 P CB 0.428 31.998 31.700 -0.216 0.000 0.799 443 R N 3.996 124.527 120.500 0.053 0.000 2.168 443 R HA -0.188 4.146 4.340 -0.012 0.000 0.242 443 R C 0.072 176.430 176.300 0.097 0.000 1.123 443 R CA 1.849 57.990 56.100 0.067 0.000 0.928 443 R CB -0.481 29.851 30.300 0.054 0.000 0.873 443 R HN 0.513 nan 8.270 nan 0.000 0.434 444 N N -0.059 118.710 118.700 0.115 0.000 2.626 444 N HA 0.051 4.784 4.740 -0.012 0.000 0.249 444 N C -1.618 174.006 175.510 0.191 0.000 1.021 444 N CA -0.314 52.811 53.050 0.125 0.000 0.886 444 N CB 0.723 39.262 38.487 0.086 0.000 1.149 444 N HN 0.116 nan 8.380 nan 0.000 0.517 445 W N 2.216 123.474 121.300 -0.069 0.000 2.578 445 W HA 0.327 4.987 4.660 -0.000 0.000 0.364 445 W C -0.286 176.141 176.519 -0.153 0.000 1.144 445 W CA -0.743 56.499 57.345 -0.171 0.000 1.242 445 W CB 0.803 30.115 29.460 -0.247 0.000 1.382 445 W HN 0.354 nan 8.180 nan 0.000 0.625 446 Q N 1.767 121.317 119.800 -0.417 0.000 2.506 446 Q HA 0.372 4.705 4.340 -0.012 0.000 0.380 446 Q C -2.463 173.124 176.000 -0.690 0.000 0.867 446 Q CA -1.356 54.190 55.803 -0.427 0.000 1.093 446 Q CB 0.380 29.030 28.738 -0.147 0.000 1.388 446 Q HN 0.011 nan 8.270 nan 0.000 0.400 447 P HA 0.133 nan 4.420 nan 0.000 0.286 447 P C -0.172 176.841 177.300 -0.478 0.000 1.293 447 P CA -0.342 62.176 63.100 -0.971 0.000 0.770 447 P CB 0.611 31.462 31.700 -1.415 0.000 1.206 448 S N -1.480 114.017 115.700 -0.339 0.000 2.645 448 S HA 0.438 4.901 4.470 -0.012 0.000 0.266 448 S C 1.367 175.851 174.600 -0.193 0.000 1.258 448 S CA -0.135 57.942 58.200 -0.205 0.000 0.990 448 S CB 0.343 63.461 63.200 -0.138 0.000 0.967 448 S HN 0.567 nan 8.310 nan 0.000 0.556 449 A N 1.247 123.985 122.820 -0.137 0.000 1.869 449 A HA -0.186 4.127 4.320 -0.012 0.000 0.218 449 A C 2.133 179.651 177.584 -0.110 0.000 1.203 449 A CA 1.880 53.848 52.037 -0.115 0.000 0.638 449 A CB -1.299 17.651 19.000 -0.084 0.000 0.831 449 A HN 0.938 nan 8.150 nan 0.000 0.450 450 E N -0.856 119.286 120.200 -0.097 0.000 2.035 450 E HA -0.221 4.122 4.350 -0.012 0.000 0.204 450 E C 2.162 178.706 176.600 -0.093 0.000 1.025 450 E CA 2.037 58.386 56.400 -0.085 0.000 0.835 450 E CB -0.891 28.765 29.700 -0.075 0.000 0.764 450 E HN 0.655 nan 8.360 nan 0.000 0.457 451 T N 1.204 115.689 114.554 -0.115 0.000 2.699 451 T HA -0.234 4.109 4.350 -0.012 0.000 0.268 451 T C 1.891 176.512 174.700 -0.131 0.000 1.036 451 T CA 1.757 63.785 62.100 -0.119 0.000 1.147 451 T CB -0.289 68.470 68.868 -0.183 0.000 0.862 451 T HN 0.204 nan 8.240 nan 0.000 0.446 452 R N 0.783 121.173 120.500 -0.183 0.000 2.081 452 R HA -0.127 4.206 4.340 -0.012 0.000 0.235 452 R C 2.368 178.622 176.300 -0.077 0.000 1.131 452 R CA 1.302 57.307 56.100 -0.159 0.000 0.960 452 R CB -0.108 30.085 30.300 -0.180 0.000 0.856 452 R HN 0.186 nan 8.270 nan 0.000 0.436 453 E N 0.317 120.475 120.200 -0.069 0.000 2.038 453 E HA -0.152 4.191 4.350 -0.012 0.000 0.195 453 E C 2.039 178.633 176.600 -0.009 0.000 1.000 453 E CA 1.461 57.837 56.400 -0.039 0.000 0.803 453 E CB -0.413 29.259 29.700 -0.046 0.000 0.750 453 E HN 0.198 nan 8.360 nan 0.000 0.448 454 V N 1.246 121.156 119.914 -0.006 0.000 2.282 454 V HA -0.283 3.830 4.120 -0.012 0.000 0.249 454 V C 2.595 178.739 176.094 0.083 0.000 1.057 454 V CA 1.760 64.093 62.300 0.055 0.000 1.032 454 V CB -0.604 31.253 31.823 0.057 0.000 0.645 454 V HN 0.199 nan 8.190 nan 0.000 0.447 455 L N -0.368 120.885 121.223 0.051 0.000 2.056 455 L HA -0.162 4.171 4.340 -0.012 0.000 0.207 455 L C 2.377 179.281 176.870 0.056 0.000 1.078 455 L CA 1.573 56.453 54.840 0.067 0.000 0.749 455 L CB -0.777 41.323 42.059 0.068 0.000 0.901 455 L HN 0.297 nan 8.230 nan 0.000 0.433 456 D N -0.466 119.951 120.400 0.029 0.000 2.097 456 D HA -0.154 4.479 4.640 -0.012 0.000 0.195 456 D C 2.221 178.548 176.300 0.044 0.000 0.989 456 D CA 1.785 55.802 54.000 0.028 0.000 0.827 456 D CB -0.317 40.486 40.800 0.005 0.000 0.966 456 D HN 0.250 nan 8.370 nan 0.000 0.456 457 T N 0.180 114.763 114.554 0.049 0.000 2.720 457 T HA -0.164 4.179 4.350 -0.012 0.000 0.268 457 T C 2.262 177.016 174.700 0.091 0.000 1.037 457 T CA 1.200 63.335 62.100 0.058 0.000 1.144 457 T CB -0.636 68.259 68.868 0.045 0.000 0.864 457 T HN 0.251 nan 8.240 nan 0.000 0.444 458 C N 1.368 120.740 119.300 0.120 0.000 2.419 458 C HA -0.032 4.421 4.460 -0.012 0.000 0.281 458 C C 2.824 177.864 174.990 0.083 0.000 1.336 458 C CA 0.173 59.265 59.018 0.123 0.000 1.770 458 C CB -1.206 26.596 27.740 0.104 0.000 1.929 458 C HN 0.578 nan 8.230 nan 0.000 0.509 459 Q N 0.738 120.581 119.800 0.071 0.000 2.079 459 Q HA -0.148 4.185 4.340 -0.012 0.000 0.200 459 Q C 2.300 178.343 176.000 0.073 0.000 0.974 459 Q CA 1.595 57.436 55.803 0.064 0.000 0.840 459 Q CB 0.010 28.781 28.738 0.055 0.000 0.898 459 Q HN 0.585 nan 8.270 nan 0.000 0.430 460 V N 1.164 121.121 119.914 0.073 0.000 2.261 460 V HA -0.312 3.801 4.120 -0.012 0.000 0.246 460 V C 2.319 178.474 176.094 0.103 0.000 1.047 460 V CA 1.825 64.174 62.300 0.081 0.000 1.015 460 V CB -0.591 31.273 31.823 0.069 0.000 0.642 460 V HN 0.364 nan 8.190 nan 0.000 0.446 461 I N 0.765 121.397 120.570 0.104 0.000 2.087 461 I HA -0.349 3.814 4.170 -0.012 0.000 0.240 461 I C 2.725 178.940 176.117 0.163 0.000 1.054 461 I CA 2.013 63.396 61.300 0.138 0.000 1.311 461 I CB -0.832 37.253 38.000 0.142 0.000 1.024 461 I HN 0.307 nan 8.210 nan 0.000 0.402 462 A N 0.056 122.940 122.820 0.105 0.000 1.908 462 A HA -0.279 4.034 4.320 -0.012 0.000 0.218 462 A C 2.219 179.889 177.584 0.142 0.000 1.181 462 A CA 2.217 54.306 52.037 0.088 0.000 0.627 462 A CB -0.682 18.338 19.000 0.034 0.000 0.818 462 A HN 0.465 nan 8.150 nan 0.000 0.445 463 E N -0.129 120.146 120.200 0.125 0.000 2.106 463 E HA 0.135 4.478 4.350 -0.012 0.000 0.192 463 E C 1.110 177.798 176.600 0.147 0.000 0.984 463 E CA 0.587 57.062 56.400 0.125 0.000 0.806 463 E CB -0.282 29.482 29.700 0.105 0.000 0.750 463 E HN 0.632 nan 8.360 nan 0.000 0.458 464 A N 1.797 124.712 122.820 0.158 0.000 2.483 464 A HA 0.200 4.513 4.320 -0.012 0.000 0.238 464 A C -2.233 175.436 177.584 0.142 0.000 1.070 464 A CA -1.149 50.979 52.037 0.151 0.000 0.770 464 A CB -0.252 18.836 19.000 0.147 0.000 1.008 464 A HN -0.021 nan 8.150 nan 0.000 0.497 465 P HA 0.056 nan 4.420 nan 0.000 0.265 465 P C -0.317 176.947 177.300 -0.059 0.000 1.193 465 P CA -0.016 63.105 63.100 0.035 0.000 0.765 465 P CB 0.301 32.022 31.700 0.034 0.000 0.823 466 Q N 1.958 121.638 119.800 -0.200 0.000 2.263 466 Q HA 0.233 4.566 4.340 -0.012 0.000 0.289 466 Q C 0.979 176.784 176.000 -0.325 0.000 1.061 466 Q CA 1.222 56.693 55.803 -0.553 0.000 0.927 466 Q CB -0.516 27.773 28.738 -0.748 0.000 1.154 466 Q HN 0.852 nan 8.270 nan 0.000 0.378 467 G N 2.387 111.010 108.800 -0.295 0.000 2.163 467 G HA2 -0.210 3.743 3.960 -0.012 0.000 0.213 467 G HA3 -0.210 3.743 3.960 -0.012 0.000 0.213 467 G C 0.566 175.440 174.900 -0.043 0.000 0.991 467 G CA 0.227 45.241 45.100 -0.143 0.000 0.653 467 G HN 0.612 nan 8.290 nan 0.000 0.518 468 S N -0.456 115.237 115.700 -0.012 0.000 2.456 468 S HA 0.391 4.854 4.470 -0.012 0.000 0.224 468 S C 0.964 175.610 174.600 0.077 0.000 1.035 468 S CA 0.464 58.697 58.200 0.056 0.000 0.940 468 S CB 0.422 63.672 63.200 0.082 0.000 0.799 468 S HN 0.474 nan 8.310 nan 0.000 0.508 469 I N 1.376 121.988 120.570 0.070 0.000 2.378 469 I HA 0.393 4.556 4.170 -0.012 0.000 0.291 469 I C 0.975 177.137 176.117 0.075 0.000 0.992 469 I CA -0.437 60.916 61.300 0.089 0.000 1.154 469 I CB 1.606 39.678 38.000 0.121 0.000 1.315 469 I HN 0.101 nan 8.210 nan 0.000 0.448 470 A N 5.310 128.168 122.820 0.065 0.000 1.878 470 A HA 0.581 4.894 4.320 -0.012 0.000 0.213 470 A C 0.950 178.562 177.584 0.046 0.000 1.192 470 A CA 1.052 53.112 52.037 0.038 0.000 0.619 470 A CB 0.156 19.167 19.000 0.018 0.000 0.837 470 A HN 0.841 nan 8.150 nan 0.000 0.446 471 A N -2.830 120.024 122.820 0.058 0.000 2.601 471 A HA 0.529 4.842 4.320 -0.012 0.000 0.291 471 A C -1.834 175.806 177.584 0.094 0.000 1.075 471 A CA -0.426 51.659 52.037 0.080 0.000 0.671 471 A CB 0.265 19.293 19.000 0.046 0.000 1.277 471 A HN 0.560 nan 8.150 nan 0.000 0.417 472 Y N 1.294 121.593 120.300 -0.001 0.000 2.369 472 Y HA 0.555 5.099 4.550 -0.010 0.000 0.337 472 Y C -0.515 175.378 175.900 -0.011 0.000 0.961 472 Y CA -0.744 57.339 58.100 -0.028 0.000 1.186 472 Y CB 1.299 39.717 38.460 -0.070 0.000 1.139 472 Y HN 0.492 nan 8.280 nan 0.000 0.494 473 V N 8.183 128.192 119.914 0.159 0.000 2.439 473 V HA 0.299 4.413 4.120 -0.012 0.000 0.282 473 V C -0.045 176.166 176.094 0.194 0.000 1.039 473 V CA -0.651 61.746 62.300 0.163 0.000 0.913 473 V CB 1.386 33.277 31.823 0.113 0.000 0.983 473 V HN 0.589 nan 8.190 nan 0.000 0.460 474 I N 5.154 125.818 120.570 0.157 0.000 2.313 474 I HA 0.225 4.388 4.170 -0.012 0.000 0.286 474 I C 0.804 176.956 176.117 0.057 0.000 1.091 474 I CA 0.017 61.408 61.300 0.152 0.000 1.216 474 I CB 0.998 39.054 38.000 0.093 0.000 1.434 474 I HN 0.708 nan 8.210 nan 0.000 0.487 475 S N 6.415 122.146 115.700 0.051 0.000 2.579 475 S HA 0.259 4.722 4.470 -0.012 0.000 0.275 475 S C 0.898 175.516 174.600 0.030 0.000 1.345 475 S CA -0.465 57.749 58.200 0.023 0.000 1.031 475 S CB 0.914 64.124 63.200 0.016 0.000 0.892 475 S HN 0.684 nan 8.310 nan 0.000 0.529 476 M N -1.192 118.424 119.600 0.026 0.000 2.751 476 M HA -0.190 4.284 4.480 -0.012 0.000 0.199 476 M C 0.484 176.817 176.300 0.055 0.000 0.550 476 M CA 0.866 56.193 55.300 0.045 0.000 0.640 476 M CB -2.750 29.877 32.600 0.045 0.000 2.351 476 M HN 1.064 nan 8.290 nan 0.000 0.613 477 A N 0.902 123.725 122.820 0.006 0.000 2.537 477 A HA 0.183 4.496 4.320 -0.012 0.000 0.260 477 A C 1.169 178.854 177.584 0.168 0.000 1.082 477 A CA 0.708 52.754 52.037 0.015 0.000 0.765 477 A CB 0.182 19.043 19.000 -0.232 0.000 1.019 477 A HN 0.594 nan 8.150 nan 0.000 0.507 478 K N 0.872 121.375 120.400 0.172 0.000 2.436 478 K HA 0.114 4.427 4.320 -0.012 0.000 0.198 478 K C 0.520 177.226 176.600 0.177 0.000 1.174 478 K CA 1.092 57.495 56.287 0.194 0.000 0.951 478 K CB 0.621 33.194 32.500 0.120 0.000 1.040 478 K HN 0.846 nan 8.250 nan 0.000 0.536 479 T N -2.530 112.111 114.554 0.146 0.000 2.838 479 T HA 0.285 4.628 4.350 -0.012 0.000 0.292 479 T C -2.581 172.178 174.700 0.099 0.000 1.113 479 T CA -1.886 60.279 62.100 0.107 0.000 1.008 479 T CB 1.889 70.801 68.868 0.074 0.000 1.259 479 T HN -0.343 nan 8.240 nan 0.000 0.520 480 P HA -0.081 nan 4.420 nan 0.000 0.218 480 P C 1.835 179.156 177.300 0.034 0.000 1.149 480 P CA 1.427 64.539 63.100 0.019 0.000 0.817 480 P CB -0.094 31.600 31.700 -0.009 0.000 0.785 481 S N -0.857 114.887 115.700 0.074 0.000 2.447 481 S HA -0.168 4.295 4.470 -0.012 0.000 0.233 481 S C 1.516 176.203 174.600 0.145 0.000 1.006 481 S CA 1.400 59.676 58.200 0.127 0.000 0.957 481 S CB -1.277 62.010 63.200 0.145 0.000 0.773 481 S HN 0.038 nan 8.310 nan 0.000 0.507 482 D N 1.251 121.720 120.400 0.116 0.000 2.144 482 D HA -0.015 4.618 4.640 -0.012 0.000 0.199 482 D C 1.933 178.268 176.300 0.059 0.000 0.984 482 D CA 0.972 55.037 54.000 0.108 0.000 0.834 482 D CB -0.315 40.546 40.800 0.101 0.000 0.955 482 D HN 0.367 nan 8.370 nan 0.000 0.465 483 V N 0.244 120.193 119.914 0.057 0.000 2.446 483 V HA -0.081 4.032 4.120 -0.012 0.000 0.244 483 V C 2.332 178.523 176.094 0.160 0.000 1.039 483 V CA 0.796 63.140 62.300 0.073 0.000 1.045 483 V CB -0.268 31.590 31.823 0.058 0.000 0.681 483 V HN 0.189 nan 8.190 nan 0.000 0.459 484 L N 0.231 121.539 121.223 0.142 0.000 2.131 484 L HA -0.144 4.189 4.340 -0.012 0.000 0.210 484 L C 2.728 179.682 176.870 0.140 0.000 1.092 484 L CA 1.401 56.359 54.840 0.196 0.000 0.759 484 L CB -0.811 41.324 42.059 0.127 0.000 0.903 484 L HN 0.358 nan 8.230 nan 0.000 0.435 485 A N 0.303 123.175 122.820 0.086 0.000 1.873 485 A HA -0.240 4.073 4.320 -0.012 0.000 0.218 485 A C 2.404 179.910 177.584 -0.129 0.000 1.193 485 A CA 2.392 54.434 52.037 0.009 0.000 0.629 485 A CB -1.147 17.870 19.000 0.029 0.000 0.826 485 A HN 0.327 nan 8.150 nan 0.000 0.447 486 V N -1.977 117.765 119.914 -0.287 0.000 2.515 486 V HA -0.247 3.866 4.120 -0.012 0.000 0.250 486 V C 2.079 177.960 176.094 -0.355 0.000 1.058 486 V CA 2.692 64.662 62.300 -0.550 0.000 1.064 486 V CB -1.324 29.855 31.823 -1.074 0.000 0.675 486 V HN 0.664 nan 8.190 nan 0.000 0.461 487 H N -0.362 118.633 119.070 -0.126 0.000 2.389 487 H HA -0.030 4.518 4.556 -0.012 0.000 0.299 487 H C 2.035 177.343 175.328 -0.034 0.000 1.081 487 H CA 2.143 58.185 56.048 -0.009 0.000 1.345 487 H CB 0.009 29.886 29.762 0.191 0.000 1.393 487 H HN 0.494 nan 8.280 nan 0.000 0.520 488 L N 0.267 121.517 121.223 0.045 0.000 1.994 488 L HA -0.154 4.179 4.340 -0.012 0.000 0.208 488 L C 1.883 178.726 176.870 -0.045 0.000 1.071 488 L CA 1.461 56.281 54.840 -0.034 0.000 0.745 488 L CB -0.569 41.447 42.059 -0.072 0.000 0.892 488 L HN 0.254 nan 8.230 nan 0.000 0.431 489 L N -0.901 120.281 121.223 -0.069 0.000 1.990 489 L HA -0.293 4.040 4.340 -0.012 0.000 0.213 489 L C 2.597 179.438 176.870 -0.050 0.000 1.072 489 L CA 1.757 56.565 54.840 -0.053 0.000 0.755 489 L CB -0.766 41.251 42.059 -0.069 0.000 0.889 489 L HN 0.351 nan 8.230 nan 0.000 0.432 490 L N -0.330 120.836 121.223 -0.094 0.000 2.127 490 L HA -0.243 4.091 4.340 -0.012 0.000 0.211 490 L C 2.778 179.617 176.870 -0.051 0.000 1.089 490 L CA 1.218 56.009 54.840 -0.081 0.000 0.757 490 L CB -0.615 41.362 42.059 -0.137 0.000 0.899 490 L HN 0.305 nan 8.230 nan 0.000 0.434 491 K N 0.158 120.544 120.400 -0.023 0.000 2.057 491 K HA -0.178 4.135 4.320 -0.012 0.000 0.206 491 K C 1.937 178.527 176.600 -0.017 0.000 1.050 491 K CA 1.207 57.488 56.287 -0.010 0.000 0.935 491 K CB 0.138 32.643 32.500 0.009 0.000 0.715 491 K HN 0.148 nan 8.250 nan 0.000 0.439 492 E N 0.374 120.564 120.200 -0.016 0.000 2.204 492 E HA -0.077 4.266 4.350 -0.012 0.000 0.194 492 E C 1.491 178.096 176.600 0.009 0.000 0.989 492 E CA 0.917 57.315 56.400 -0.004 0.000 0.824 492 E CB -0.167 29.535 29.700 0.003 0.000 0.756 492 E HN 0.371 nan 8.360 nan 0.000 0.477 493 A N 0.069 122.893 122.820 0.006 0.000 2.235 493 A HA 0.310 4.623 4.320 -0.012 0.000 0.208 493 A C 1.087 178.674 177.584 0.004 0.000 1.172 493 A CA 0.780 52.826 52.037 0.016 0.000 0.786 493 A CB -0.439 18.576 19.000 0.024 0.000 0.804 493 A HN 0.171 nan 8.150 nan 0.000 0.479 494 G N -0.540 108.254 108.800 -0.011 0.000 2.587 494 G HA2 -0.135 3.818 3.960 -0.012 0.000 0.245 494 G HA3 -0.135 3.818 3.960 -0.012 0.000 0.245 494 G C -0.473 174.398 174.900 -0.047 0.000 0.959 494 G CA 0.286 45.377 45.100 -0.015 0.000 1.268 494 G HN 1.018 nan 8.290 nan 0.000 0.448 495 I N 1.862 122.370 120.570 -0.103 0.000 2.498 495 I HA 0.699 4.862 4.170 -0.012 0.000 0.290 495 I C 1.207 177.177 176.117 -0.246 0.000 1.032 495 I CA -0.117 61.031 61.300 -0.254 0.000 1.073 495 I CB 1.603 39.376 38.000 -0.379 0.000 1.251 495 I HN 0.358 nan 8.210 nan 0.000 0.426 496 G N 6.373 115.052 108.800 -0.202 0.000 2.683 496 G HA2 0.073 4.026 3.960 -0.012 0.000 0.213 496 G HA3 0.073 4.026 3.960 -0.012 0.000 0.213 496 G C 0.153 175.081 174.900 0.046 0.000 1.142 496 G CA 0.236 45.334 45.100 -0.003 0.000 0.793 496 G HN 0.526 nan 8.290 nan 0.000 0.534 497 F N -1.183 118.783 119.950 0.027 0.000 2.594 497 F HA 0.838 5.360 4.527 -0.009 0.000 0.335 497 F C 0.017 175.832 175.800 0.024 0.000 1.058 497 F CA -2.515 55.496 58.000 0.018 0.000 0.981 497 F CB 1.239 40.246 39.000 0.013 0.000 1.289 497 F HN -0.016 nan 8.300 nan 0.000 0.490 498 A N 2.310 125.242 122.820 0.186 0.000 2.302 498 A HA 0.556 4.869 4.320 -0.012 0.000 0.295 498 A C -0.505 177.187 177.584 0.179 0.000 1.235 498 A CA -0.416 51.678 52.037 0.096 0.000 0.876 498 A CB -0.140 18.883 19.000 0.038 0.000 1.133 498 A HN 0.818 nan 8.150 nan 0.000 0.533 499 M N 5.218 124.879 119.600 0.101 0.000 2.080 499 M HA 0.452 4.925 4.480 -0.012 0.000 0.350 499 M C -2.538 173.811 176.300 0.081 0.000 1.173 499 M CA -1.908 53.469 55.300 0.128 0.000 1.052 499 M CB 0.709 33.326 32.600 0.029 0.000 1.577 499 M HN 0.248 nan 8.290 nan 0.000 0.455 500 P HA 0.062 nan 4.420 nan 0.000 0.261 500 P C -1.259 176.091 177.300 0.083 0.000 1.203 500 P CA 0.008 63.159 63.100 0.084 0.000 0.767 500 P CB 0.183 31.923 31.700 0.066 0.000 0.785 501 V N 3.451 123.419 119.914 0.090 0.000 2.547 501 V HA 0.714 4.828 4.120 -0.012 0.000 0.299 501 V C 0.276 176.447 176.094 0.128 0.000 1.040 501 V CA -0.601 61.737 62.300 0.063 0.000 0.913 501 V CB 1.654 33.429 31.823 -0.080 0.000 0.992 501 V HN 0.572 nan 8.190 nan 0.000 0.449 502 A N 6.596 129.489 122.820 0.122 0.000 2.353 502 A HA 0.877 5.190 4.320 -0.012 0.000 0.299 502 A C -2.926 174.669 177.584 0.019 0.000 1.089 502 A CA -1.747 50.353 52.037 0.105 0.000 0.736 502 A CB 1.682 20.782 19.000 0.166 0.000 1.195 502 A HN 0.582 nan 8.150 nan 0.000 0.447 503 P HA 0.322 nan 4.420 nan 0.000 0.275 503 P C -0.733 176.277 177.300 -0.483 0.000 1.228 503 P CA -0.223 62.651 63.100 -0.375 0.000 0.786 503 P CB 0.949 32.242 31.700 -0.677 0.000 0.927 504 L N 4.140 125.111 121.223 -0.420 0.000 2.324 504 L HA 0.460 4.793 4.340 -0.012 0.000 0.274 504 L C -1.297 175.400 176.870 -0.289 0.000 1.012 504 L CA -0.633 54.050 54.840 -0.262 0.000 0.859 504 L CB -0.485 41.543 42.059 -0.052 0.000 1.224 504 L HN 0.031 nan 8.230 nan 0.000 0.429 505 F N 3.948 123.929 119.950 0.052 0.000 2.444 505 F HA 0.342 4.861 4.527 -0.012 0.000 0.360 505 F C 1.057 176.876 175.800 0.032 0.000 1.106 505 F CA -0.302 57.721 58.000 0.038 0.000 1.170 505 F CB 0.626 39.643 39.000 0.028 0.000 1.113 505 F HN 0.638 nan 8.300 nan 0.000 0.521 506 E N 0.673 120.976 120.200 0.173 0.000 3.729 506 E HA 0.299 4.643 4.350 -0.012 0.000 0.195 506 E C -0.591 176.051 176.600 0.070 0.000 1.005 506 E CA -0.376 56.085 56.400 0.102 0.000 1.356 506 E CB 0.709 30.451 29.700 0.071 0.000 1.138 506 E HN 0.463 nan 8.360 nan 0.000 0.450 507 T N 0.207 114.810 114.554 0.081 0.000 2.868 507 T HA 0.194 4.537 4.350 -0.012 0.000 0.306 507 T C 0.238 174.962 174.700 0.041 0.000 1.224 507 T CA -0.615 61.514 62.100 0.048 0.000 1.012 507 T CB 1.874 70.775 68.868 0.055 0.000 1.221 507 T HN 0.181 nan 8.240 nan 0.000 0.499 508 L N 2.098 123.335 121.223 0.024 0.000 1.989 508 L HA -0.033 4.300 4.340 -0.012 0.000 0.211 508 L C 1.738 178.614 176.870 0.009 0.000 1.071 508 L CA 2.373 57.224 54.840 0.020 0.000 0.749 508 L CB -0.608 41.465 42.059 0.025 0.000 0.890 508 L HN 0.761 nan 8.230 nan 0.000 0.431 509 D N -0.780 119.627 120.400 0.012 0.000 2.117 509 D HA -0.187 4.447 4.640 -0.012 0.000 0.197 509 D C 1.748 178.041 176.300 -0.011 0.000 0.987 509 D CA 1.400 55.400 54.000 0.000 0.000 0.829 509 D CB -0.410 40.395 40.800 0.008 0.000 0.961 509 D HN 0.388 nan 8.370 nan 0.000 0.460 510 D N 0.352 120.768 120.400 0.027 0.000 2.117 510 D HA -0.109 4.524 4.640 -0.012 0.000 0.197 510 D C 2.272 178.523 176.300 -0.081 0.000 0.987 510 D CA 0.455 54.482 54.000 0.045 0.000 0.829 510 D CB -0.355 40.562 40.800 0.196 0.000 0.961 510 D HN 0.223 nan 8.370 nan 0.000 0.460 511 L N 0.918 122.129 121.223 -0.019 0.000 2.012 511 L HA -0.218 4.115 4.340 -0.012 0.000 0.210 511 L C 2.124 178.900 176.870 -0.158 0.000 1.073 511 L CA 1.069 55.865 54.840 -0.073 0.000 0.748 511 L CB -0.333 41.727 42.059 0.003 0.000 0.891 511 L HN -0.007 nan 8.230 nan 0.000 0.431 512 N N 0.271 118.907 118.700 -0.107 0.000 2.149 512 N HA -0.181 4.552 4.740 -0.012 0.000 0.188 512 N C 1.435 176.857 175.510 -0.147 0.000 1.019 512 N CA 1.476 54.458 53.050 -0.113 0.000 0.857 512 N CB -0.505 37.942 38.487 -0.067 0.000 0.997 512 N HN 0.433 nan 8.380 nan 0.000 0.426 513 N N 0.240 118.839 118.700 -0.168 0.000 2.424 513 N HA 0.157 4.890 4.740 -0.012 0.000 0.178 513 N C 1.603 176.926 175.510 -0.312 0.000 1.060 513 N CA 0.479 53.421 53.050 -0.180 0.000 0.901 513 N CB 0.064 38.482 38.487 -0.115 0.000 0.979 513 N HN 0.145 nan 8.380 nan 0.000 0.451 514 A N 1.699 124.183 122.820 -0.561 0.000 1.909 514 A HA -0.351 3.962 4.320 -0.012 0.000 0.221 514 A C 2.055 179.358 177.584 -0.468 0.000 1.223 514 A CA 2.331 53.782 52.037 -0.977 0.000 0.658 514 A CB -1.014 17.310 19.000 -1.127 0.000 0.831 514 A HN 0.444 nan 8.150 nan 0.000 0.462 515 N N -0.727 117.808 118.700 -0.276 0.000 2.244 515 N HA -0.136 4.597 4.740 -0.012 0.000 0.183 515 N C 1.359 176.806 175.510 -0.106 0.000 1.016 515 N CA 1.649 54.612 53.050 -0.146 0.000 0.866 515 N CB -0.216 38.203 38.487 -0.113 0.000 0.980 515 N HN 0.456 nan 8.380 nan 0.000 0.430 516 D N -0.420 119.910 120.400 -0.116 0.000 2.097 516 D HA -0.098 4.535 4.640 -0.012 0.000 0.197 516 D C 1.976 178.242 176.300 -0.056 0.000 0.984 516 D CA 0.863 54.819 54.000 -0.073 0.000 0.826 516 D CB -0.220 40.541 40.800 -0.065 0.000 0.973 516 D HN 0.104 nan 8.370 nan 0.000 0.460 517 V N 1.539 121.406 119.914 -0.078 0.000 2.282 517 V HA -0.262 3.851 4.120 -0.012 0.000 0.249 517 V C 2.403 178.505 176.094 0.013 0.000 1.057 517 V CA 1.308 63.599 62.300 -0.015 0.000 1.032 517 V CB -0.345 31.500 31.823 0.037 0.000 0.645 517 V HN 0.249 nan 8.190 nan 0.000 0.447 518 M N 0.030 119.637 119.600 0.012 0.000 2.492 518 M HA -0.046 4.427 4.480 -0.012 0.000 0.262 518 M C 2.332 178.646 176.300 0.022 0.000 1.090 518 M CA 1.870 57.197 55.300 0.044 0.000 1.110 518 M CB -1.558 31.091 32.600 0.082 0.000 1.407 518 M HN 0.646 nan 8.290 nan 0.000 0.470 519 T N -1.260 113.295 114.554 0.002 0.000 3.014 519 T HA -0.118 4.225 4.350 -0.012 0.000 0.263 519 T C 1.805 176.511 174.700 0.010 0.000 1.078 519 T CA 1.129 63.234 62.100 0.008 0.000 1.135 519 T CB 0.126 68.994 68.868 -0.000 0.000 0.895 519 T HN 0.206 nan 8.240 nan 0.000 0.480 520 Q N 1.099 120.898 119.800 -0.001 0.000 2.016 520 Q HA 0.098 4.431 4.340 -0.012 0.000 0.200 520 Q C 2.237 178.232 176.000 -0.008 0.000 0.978 520 Q CA 1.652 57.455 55.803 -0.001 0.000 0.833 520 Q CB -0.995 27.740 28.738 -0.005 0.000 0.895 520 Q HN 0.641 nan 8.270 nan 0.000 0.427 521 L N -0.192 121.003 121.223 -0.047 0.000 1.990 521 L HA -0.230 4.103 4.340 -0.012 0.000 0.213 521 L C 2.366 179.238 176.870 0.005 0.000 1.072 521 L CA 1.368 56.121 54.840 -0.145 0.000 0.755 521 L CB -0.561 41.306 42.059 -0.320 0.000 0.889 521 L HN 0.276 nan 8.230 nan 0.000 0.432 522 L N -0.534 120.730 121.223 0.069 0.000 2.362 522 L HA -0.161 4.172 4.340 -0.012 0.000 0.219 522 L C 2.066 178.989 176.870 0.088 0.000 1.134 522 L CA 0.548 55.461 54.840 0.121 0.000 0.807 522 L CB -0.602 41.512 42.059 0.091 0.000 0.927 522 L HN 0.355 nan 8.230 nan 0.000 0.447 523 N N 0.344 119.080 118.700 0.061 0.000 2.409 523 N HA 0.072 4.805 4.740 -0.012 0.000 0.179 523 N C 0.749 176.300 175.510 0.069 0.000 1.032 523 N CA 0.515 53.596 53.050 0.051 0.000 0.898 523 N CB 0.178 38.684 38.487 0.033 0.000 0.971 523 N HN 0.278 nan 8.380 nan 0.000 0.441 524 I N 2.275 122.902 120.570 0.096 0.000 2.483 524 I HA -0.047 4.116 4.170 -0.012 0.000 0.291 524 I C 0.849 177.063 176.117 0.161 0.000 1.112 524 I CA -0.268 61.113 61.300 0.136 0.000 1.350 524 I CB 0.605 38.711 38.000 0.177 0.000 1.419 524 I HN -0.172 nan 8.210 nan 0.000 0.523 525 D N 4.819 125.294 120.400 0.124 0.000 2.158 525 D HA -0.246 4.387 4.640 -0.012 0.000 0.197 525 D C 1.568 177.922 176.300 0.089 0.000 0.995 525 D CA 1.391 55.443 54.000 0.088 0.000 0.846 525 D CB -0.060 40.782 40.800 0.071 0.000 0.941 525 D HN 0.727 nan 8.370 nan 0.000 0.456 526 W N 0.418 121.731 121.300 0.021 0.000 2.335 526 W HA -0.288 4.372 4.660 -0.000 0.000 0.311 526 W C 2.284 178.801 176.519 -0.004 0.000 1.213 526 W CA 1.377 58.723 57.345 0.002 0.000 1.274 526 W CB -0.760 28.701 29.460 0.002 0.000 1.148 526 W HN 0.026 nan 8.180 nan 0.000 0.498 527 Y N 1.071 121.368 120.300 -0.005 0.000 2.181 527 Y HA -0.222 4.320 4.550 -0.013 0.000 0.288 527 Y C 2.819 178.528 175.900 -0.317 0.000 1.146 527 Y CA 2.712 60.675 58.100 -0.229 0.000 1.164 527 Y CB -0.848 37.633 38.460 0.035 0.000 0.982 527 Y HN -0.092 nan 8.280 nan 0.000 0.515 528 R N -0.412 120.033 120.500 -0.092 0.000 2.094 528 R HA -0.165 4.168 4.340 -0.012 0.000 0.239 528 R C 2.437 178.566 176.300 -0.285 0.000 1.137 528 R CA 1.785 57.803 56.100 -0.137 0.000 0.943 528 R CB -0.989 29.295 30.300 -0.027 0.000 0.850 528 R HN 0.499 nan 8.270 nan 0.000 0.433 529 G N -0.018 108.585 108.800 -0.328 0.000 2.534 529 G HA2 -0.180 3.773 3.960 -0.012 0.000 0.217 529 G HA3 -0.180 3.773 3.960 -0.012 0.000 0.217 529 G C 1.220 175.840 174.900 -0.466 0.000 1.128 529 G CA 0.384 45.282 45.100 -0.336 0.000 0.784 529 G HN 0.330 nan 8.290 nan 0.000 0.542 530 L N 0.974 121.754 121.223 -0.737 0.000 2.270 530 L HA 0.277 4.610 4.340 -0.012 0.000 0.210 530 L C 2.410 178.958 176.870 -0.536 0.000 1.104 530 L CA 0.923 55.309 54.840 -0.757 0.000 0.804 530 L CB -0.179 41.111 42.059 -1.281 0.000 0.937 530 L HN 0.347 nan 8.230 nan 0.000 0.450 531 I N -3.624 116.606 120.570 -0.565 0.000 3.251 531 I HA 0.015 4.178 4.170 -0.012 0.000 0.277 531 I C 0.340 176.332 176.117 -0.208 0.000 1.268 531 I CA 0.111 61.194 61.300 -0.362 0.000 1.449 531 I CB -0.455 37.304 38.000 -0.402 0.000 1.083 531 I HN 0.252 nan 8.210 nan 0.000 0.464 532 Q N 1.838 121.514 119.800 -0.207 0.000 2.452 532 Q HA -0.200 4.133 4.340 -0.012 0.000 0.318 532 Q C 1.070 177.014 176.000 -0.094 0.000 1.386 532 Q CA 0.923 56.646 55.803 -0.133 0.000 0.872 532 Q CB -1.997 26.679 28.738 -0.103 0.000 1.151 532 Q HN 1.085 nan 8.270 nan 0.000 0.417 533 G N 0.020 108.764 108.800 -0.093 0.000 2.221 533 G HA2 -0.322 3.631 3.960 -0.012 0.000 0.265 533 G HA3 -0.322 3.631 3.960 -0.012 0.000 0.265 533 G C -0.095 174.781 174.900 -0.039 0.000 1.041 533 G CA 0.989 46.054 45.100 -0.058 0.000 0.807 533 G HN 0.308 nan 8.290 nan 0.000 0.502 534 K N -0.440 119.934 120.400 -0.044 0.000 2.588 534 K HA 0.494 4.807 4.320 -0.012 0.000 0.250 534 K C -0.523 176.078 176.600 0.001 0.000 0.972 534 K CA -0.683 55.594 56.287 -0.017 0.000 0.821 534 K CB 1.741 34.229 32.500 -0.020 0.000 1.249 534 K HN 0.115 nan 8.250 nan 0.000 0.442 535 Q N 2.258 122.080 119.800 0.038 0.000 2.433 535 Q HA 0.538 4.871 4.340 -0.012 0.000 0.279 535 Q C -1.383 174.666 176.000 0.082 0.000 1.105 535 Q CA -0.802 55.050 55.803 0.083 0.000 0.815 535 Q CB 2.807 31.622 28.738 0.128 0.000 1.403 535 Q HN 0.695 nan 8.270 nan 0.000 0.435 536 M N 1.955 121.617 119.600 0.104 0.000 2.183 536 M HA 0.407 4.880 4.480 -0.012 0.000 0.277 536 M C -1.862 174.518 176.300 0.134 0.000 0.995 536 M CA -0.533 54.827 55.300 0.100 0.000 0.969 536 M CB 1.407 34.049 32.600 0.069 0.000 1.659 536 M HN 0.318 nan 8.290 nan 0.000 0.462 537 V N 4.846 124.844 119.914 0.140 0.000 2.966 537 V HA 0.612 4.725 4.120 -0.012 0.000 0.317 537 V C -0.313 175.867 176.094 0.143 0.000 1.070 537 V CA -0.748 61.640 62.300 0.146 0.000 1.008 537 V CB 2.068 34.011 31.823 0.200 0.000 1.070 537 V HN 0.978 nan 8.190 nan 0.000 0.457 538 M N 3.382 123.033 119.600 0.084 0.000 2.259 538 M HA 0.545 5.018 4.480 -0.012 0.000 0.304 538 M C -1.895 174.412 176.300 0.012 0.000 1.019 538 M CA -0.632 54.693 55.300 0.041 0.000 0.922 538 M CB 1.355 33.983 32.600 0.047 0.000 1.600 538 M HN 0.397 nan 8.290 nan 0.000 0.433 539 I N 4.155 124.703 120.570 -0.038 0.000 2.321 539 I HA 0.337 4.500 4.170 -0.012 0.000 0.291 539 I C 0.860 177.013 176.117 0.059 0.000 0.998 539 I CA -0.548 60.782 61.300 0.050 0.000 1.227 539 I CB 1.016 39.026 38.000 0.017 0.000 1.368 539 I HN 0.883 nan 8.210 nan 0.000 0.466 540 G N 5.482 114.342 108.800 0.100 0.000 3.515 540 G HA2 0.027 3.981 3.960 -0.012 0.000 0.288 540 G HA3 0.027 3.981 3.960 -0.012 0.000 0.288 540 G C 0.660 175.628 174.900 0.112 0.000 1.012 540 G CA -0.310 44.844 45.100 0.090 0.000 1.689 540 G HN 0.686 nan 8.290 nan 0.000 0.572 541 Y N 1.871 122.210 120.300 0.066 0.000 2.081 541 Y HA -0.261 4.283 4.550 -0.012 0.000 0.280 541 Y C 2.711 178.650 175.900 0.065 0.000 1.163 541 Y CA 2.412 60.557 58.100 0.075 0.000 1.135 541 Y CB -0.100 38.413 38.460 0.089 0.000 0.970 541 Y HN 0.396 nan 8.280 nan 0.000 0.498 542 S N -0.010 115.705 115.700 0.025 0.000 2.383 542 S HA -0.207 4.256 4.470 -0.012 0.000 0.229 542 S C 1.647 176.207 174.600 -0.066 0.000 1.030 542 S CA 1.592 59.769 58.200 -0.039 0.000 1.002 542 S CB -0.399 62.889 63.200 0.145 0.000 0.829 542 S HN 0.618 nan 8.310 nan 0.000 0.467 543 D N 0.310 120.695 120.400 -0.024 0.000 2.162 543 D HA 0.031 4.665 4.640 -0.012 0.000 0.205 543 D C 2.153 178.420 176.300 -0.055 0.000 0.964 543 D CA 0.857 54.852 54.000 -0.009 0.000 0.847 543 D CB -0.139 40.677 40.800 0.027 0.000 0.988 543 D HN 0.368 nan 8.370 nan 0.000 0.480 544 S N 1.618 117.272 115.700 -0.077 0.000 2.370 544 S HA -0.161 4.302 4.470 -0.012 0.000 0.226 544 S C 2.266 176.767 174.600 -0.166 0.000 1.033 544 S CA 1.111 59.261 58.200 -0.083 0.000 1.011 544 S CB -0.301 62.873 63.200 -0.044 0.000 0.852 544 S HN 0.303 nan 8.310 nan 0.000 0.457 545 A N 1.883 124.508 122.820 -0.324 0.000 1.940 545 A HA -0.166 4.147 4.320 -0.012 0.000 0.219 545 A C 2.115 179.559 177.584 -0.233 0.000 1.176 545 A CA 1.916 53.727 52.037 -0.377 0.000 0.631 545 A CB -0.580 18.088 19.000 -0.553 0.000 0.814 545 A HN 0.490 nan 8.150 nan 0.000 0.446 546 K N -0.753 119.603 120.400 -0.074 0.000 2.148 546 K HA -0.182 4.131 4.320 -0.012 0.000 0.204 546 K C 1.687 178.306 176.600 0.031 0.000 1.050 546 K CA 1.427 57.725 56.287 0.018 0.000 0.942 546 K CB -0.126 32.328 32.500 -0.077 0.000 0.724 546 K HN 0.461 nan 8.250 nan 0.000 0.446 547 D N -0.197 120.193 120.400 -0.016 0.000 2.075 547 D HA -0.082 4.552 4.640 -0.012 0.000 0.196 547 D C 1.028 177.389 176.300 0.102 0.000 0.985 547 D CA 1.696 55.710 54.000 0.024 0.000 0.834 547 D CB 0.063 40.861 40.800 -0.003 0.000 0.987 547 D HN 0.227 nan 8.370 nan 0.000 0.452 548 A N -1.100 121.728 122.820 0.013 0.000 2.508 548 A HA 0.631 4.945 4.320 -0.012 0.000 0.257 548 A C 0.808 178.278 177.584 -0.191 0.000 1.226 548 A CA 0.658 52.709 52.037 0.022 0.000 0.947 548 A CB 0.061 19.072 19.000 0.019 0.000 1.079 548 A HN 0.523 nan 8.150 nan 0.000 0.531 549 G N -1.355 107.011 108.800 -0.722 0.000 2.690 549 G HA2 0.040 3.993 3.960 -0.012 0.000 0.686 549 G HA3 0.040 3.993 3.960 -0.012 0.000 0.686 549 G C 0.771 175.423 174.900 -0.414 0.000 1.277 549 G CA -0.070 44.458 45.100 -0.954 0.000 0.799 549 G HN 1.458 nan 8.290 nan 0.000 0.613 550 V N -0.818 118.916 119.914 -0.301 0.000 2.515 550 V HA -0.009 4.104 4.120 -0.012 0.000 0.250 550 V C 2.610 178.735 176.094 0.050 0.000 1.058 550 V CA 2.876 65.119 62.300 -0.096 0.000 1.064 550 V CB -0.676 31.150 31.823 0.004 0.000 0.675 550 V HN 1.240 nan 8.190 nan 0.000 0.461 551 M N 1.688 121.313 119.600 0.042 0.000 2.099 551 M HA 0.141 4.614 4.480 -0.012 0.000 0.262 551 M C 2.216 178.654 176.300 0.230 0.000 1.067 551 M CA 2.387 57.767 55.300 0.134 0.000 1.124 551 M CB -0.766 31.900 32.600 0.111 0.000 1.353 551 M HN 0.411 nan 8.290 nan 0.000 0.410 552 A N -0.109 122.815 122.820 0.172 0.000 1.898 552 A HA 0.062 4.375 4.320 -0.012 0.000 0.216 552 A C 2.362 180.070 177.584 0.207 0.000 1.181 552 A CA 1.935 54.100 52.037 0.213 0.000 0.620 552 A CB -1.476 17.600 19.000 0.126 0.000 0.819 552 A HN 0.644 nan 8.150 nan 0.000 0.442 553 A N -0.336 122.551 122.820 0.112 0.000 1.851 553 A HA -0.140 4.173 4.320 -0.012 0.000 0.216 553 A C 2.466 180.214 177.584 0.273 0.000 1.195 553 A CA 2.306 54.395 52.037 0.086 0.000 0.622 553 A CB -1.154 17.768 19.000 -0.129 0.000 0.831 553 A HN 0.463 nan 8.150 nan 0.000 0.444 554 S N -1.753 114.191 115.700 0.406 0.000 2.365 554 S HA -0.218 4.245 4.470 -0.012 0.000 0.225 554 S C 1.641 176.634 174.600 0.655 0.000 1.039 554 S CA 1.327 59.851 58.200 0.541 0.000 1.033 554 S CB -0.534 62.929 63.200 0.439 0.000 0.887 554 S HN 0.764 nan 8.310 nan 0.000 0.447 555 W N 1.952 123.475 121.300 0.372 0.000 2.388 555 W HA -0.101 4.553 4.660 -0.011 0.000 0.294 555 W C 2.391 179.037 176.519 0.212 0.000 1.212 555 W CA 0.815 58.326 57.345 0.276 0.000 1.271 555 W CB -0.264 29.340 29.460 0.239 0.000 1.126 555 W HN 0.360 nan 8.180 nan 0.000 0.535 556 A N 0.737 123.626 122.820 0.115 0.000 1.877 556 A HA -0.332 3.981 4.320 -0.012 0.000 0.216 556 A C 1.982 179.557 177.584 -0.016 0.000 1.186 556 A CA 2.039 54.046 52.037 -0.049 0.000 0.620 556 A CB -1.351 17.663 19.000 0.024 0.000 0.822 556 A HN 0.568 nan 8.150 nan 0.000 0.443 557 Q N -1.853 118.029 119.800 0.136 0.000 2.084 557 Q HA -0.262 4.071 4.340 -0.012 0.000 0.202 557 Q C 1.962 178.019 176.000 0.095 0.000 0.978 557 Q CA 2.109 58.000 55.803 0.147 0.000 0.844 557 Q CB -0.435 28.461 28.738 0.262 0.000 0.898 557 Q HN 0.720 nan 8.270 nan 0.000 0.426 558 Y N 1.261 121.586 120.300 0.042 0.000 2.114 558 Y HA -0.314 4.229 4.550 -0.011 0.000 0.282 558 Y C 2.267 178.065 175.900 -0.170 0.000 1.165 558 Y CA 2.499 60.576 58.100 -0.038 0.000 1.148 558 Y CB -0.179 38.187 38.460 -0.157 0.000 0.972 558 Y HN 0.255 nan 8.280 nan 0.000 0.504 559 Q N -0.504 119.136 119.800 -0.268 0.000 2.050 559 Q HA -0.192 4.142 4.340 -0.012 0.000 0.202 559 Q C 2.555 178.408 176.000 -0.246 0.000 0.980 559 Q CA 1.463 57.057 55.803 -0.348 0.000 0.840 559 Q CB -0.428 27.979 28.738 -0.552 0.000 0.898 559 Q HN 0.621 nan 8.270 nan 0.000 0.424 560 A N 1.106 123.813 122.820 -0.188 0.000 1.883 560 A HA -0.273 4.040 4.320 -0.012 0.000 0.217 560 A C 1.970 179.482 177.584 -0.120 0.000 1.186 560 A CA 1.701 53.653 52.037 -0.142 0.000 0.624 560 A CB -0.583 18.354 19.000 -0.105 0.000 0.822 560 A HN 0.401 nan 8.150 nan 0.000 0.444 561 Q N -0.906 118.821 119.800 -0.121 0.000 2.170 561 Q HA -0.204 4.129 4.340 -0.012 0.000 0.203 561 Q C 1.745 177.662 176.000 -0.137 0.000 0.976 561 Q CA 1.390 57.133 55.803 -0.099 0.000 0.858 561 Q CB -0.286 28.412 28.738 -0.068 0.000 0.907 561 Q HN 0.728 nan 8.270 nan 0.000 0.433 562 D N 0.584 120.842 120.400 -0.237 0.000 2.117 562 D HA -0.115 4.518 4.640 -0.012 0.000 0.198 562 D C 1.823 178.058 176.300 -0.108 0.000 0.982 562 D CA 1.418 55.297 54.000 -0.201 0.000 0.828 562 D CB -0.046 40.581 40.800 -0.287 0.000 0.967 562 D HN 0.225 nan 8.370 nan 0.000 0.464 563 A N 0.119 122.873 122.820 -0.109 0.000 1.873 563 A HA -0.079 4.235 4.320 -0.012 0.000 0.215 563 A C 2.445 179.998 177.584 -0.052 0.000 1.186 563 A CA 1.191 53.183 52.037 -0.075 0.000 0.616 563 A CB -0.904 18.042 19.000 -0.089 0.000 0.823 563 A HN 0.346 nan 8.150 nan 0.000 0.442 564 L N -0.552 120.641 121.223 -0.050 0.000 2.046 564 L HA -0.195 4.139 4.340 -0.012 0.000 0.208 564 L C 2.475 179.343 176.870 -0.004 0.000 1.077 564 L CA 1.246 56.076 54.840 -0.016 0.000 0.747 564 L CB -0.583 41.480 42.059 0.006 0.000 0.896 564 L HN 0.368 nan 8.230 nan 0.000 0.432 565 I N -0.181 120.381 120.570 -0.014 0.000 2.163 565 I HA -0.338 3.825 4.170 -0.012 0.000 0.243 565 I C 2.625 178.742 176.117 0.000 0.000 1.085 565 I CA 1.518 62.816 61.300 -0.003 0.000 1.347 565 I CB -0.216 37.777 38.000 -0.011 0.000 1.044 565 I HN 0.175 nan 8.210 nan 0.000 0.408 566 K N 0.134 120.528 120.400 -0.009 0.000 2.002 566 K HA -0.153 4.160 4.320 -0.012 0.000 0.209 566 K C 2.109 178.708 176.600 -0.001 0.000 1.048 566 K CA 2.131 58.415 56.287 -0.005 0.000 0.930 566 K CB -0.364 32.130 32.500 -0.011 0.000 0.714 566 K HN 0.249 nan 8.250 nan 0.000 0.438 567 T N 0.591 115.143 114.554 -0.003 0.000 2.607 567 T HA -0.233 4.110 4.350 -0.012 0.000 0.267 567 T C 2.082 176.790 174.700 0.013 0.000 1.049 567 T CA 1.693 63.794 62.100 0.003 0.000 1.162 567 T CB -0.654 68.215 68.868 0.002 0.000 0.863 567 T HN 0.332 nan 8.240 nan 0.000 0.424 568 C N 1.511 120.822 119.300 0.019 0.000 2.413 568 C HA -0.085 4.368 4.460 -0.012 0.000 0.277 568 C C 2.715 177.714 174.990 0.017 0.000 1.265 568 C CA 0.477 59.509 59.018 0.025 0.000 1.752 568 C CB -1.266 26.494 27.740 0.032 0.000 1.998 568 C HN 0.637 nan 8.230 nan 0.000 0.489 569 E N 0.973 121.180 120.200 0.013 0.000 2.051 569 E HA -0.248 4.095 4.350 -0.012 0.000 0.192 569 E C 2.147 178.751 176.600 0.008 0.000 0.991 569 E CA 1.232 57.638 56.400 0.010 0.000 0.799 569 E CB -0.198 29.508 29.700 0.010 0.000 0.748 569 E HN 0.620 nan 8.360 nan 0.000 0.449 570 K N 0.960 121.365 120.400 0.007 0.000 1.987 570 K HA -0.186 4.127 4.320 -0.012 0.000 0.216 570 K C 2.064 178.668 176.600 0.007 0.000 1.051 570 K CA 1.584 57.875 56.287 0.006 0.000 0.942 570 K CB -0.235 32.268 32.500 0.005 0.000 0.722 570 K HN 0.103 nan 8.250 nan 0.000 0.444 571 A N -0.021 122.805 122.820 0.010 0.000 2.225 571 A HA 0.044 4.357 4.320 -0.012 0.000 0.215 571 A C 1.373 178.961 177.584 0.006 0.000 1.164 571 A CA 1.334 53.378 52.037 0.011 0.000 0.710 571 A CB -0.910 18.102 19.000 0.021 0.000 0.780 571 A HN 0.715 nan 8.150 nan 0.000 0.473 572 G N -1.312 107.490 108.800 0.004 0.000 2.176 572 G HA2 -0.196 3.757 3.960 -0.012 0.000 0.252 572 G HA3 -0.196 3.757 3.960 -0.012 0.000 0.252 572 G C -0.100 174.799 174.900 -0.002 0.000 1.024 572 G CA 0.301 45.401 45.100 -0.001 0.000 0.755 572 G HN 0.359 nan 8.290 nan 0.000 0.507 573 I N 0.445 121.018 120.570 0.006 0.000 2.359 573 I HA 0.310 4.473 4.170 -0.012 0.000 0.294 573 I C 0.677 176.801 176.117 0.012 0.000 0.987 573 I CA -1.243 60.061 61.300 0.007 0.000 1.225 573 I CB 1.604 39.617 38.000 0.022 0.000 1.366 573 I HN 0.316 nan 8.210 nan 0.000 0.466 574 E N 5.910 126.114 120.200 0.007 0.000 2.003 574 E HA 0.146 4.489 4.350 -0.012 0.000 0.279 574 E C -0.820 175.793 176.600 0.022 0.000 1.132 574 E CA -0.653 55.754 56.400 0.012 0.000 0.888 574 E CB 0.619 30.322 29.700 0.005 0.000 1.056 574 E HN 0.388 nan 8.360 nan 0.000 0.399 575 L N 4.345 125.586 121.223 0.030 0.000 2.417 575 L HA 0.268 4.601 4.340 -0.012 0.000 0.268 575 L C -0.551 176.344 176.870 0.042 0.000 1.158 575 L CA 0.551 55.416 54.840 0.042 0.000 0.819 575 L CB 1.627 43.712 42.059 0.044 0.000 1.112 575 L HN 0.382 nan 8.230 nan 0.000 0.458 576 T N 5.959 120.544 114.554 0.050 0.000 2.906 576 T HA 0.452 4.795 4.350 -0.012 0.000 0.302 576 T C -0.407 174.334 174.700 0.068 0.000 1.002 576 T CA -0.362 61.768 62.100 0.049 0.000 0.988 576 T CB 0.449 69.334 68.868 0.028 0.000 0.972 576 T HN 0.445 nan 8.240 nan 0.000 0.447 577 L N 3.814 125.073 121.223 0.061 0.000 2.319 577 L HA 0.486 4.819 4.340 -0.012 0.000 0.280 577 L C -0.292 176.607 176.870 0.049 0.000 1.099 577 L CA -0.719 54.129 54.840 0.013 0.000 0.828 577 L CB 0.334 42.371 42.059 -0.038 0.000 1.150 577 L HN 0.492 nan 8.230 nan 0.000 0.442 578 F N 3.998 123.861 119.950 -0.145 0.000 2.385 578 F HA 0.357 4.877 4.527 -0.012 0.000 0.360 578 F C 0.181 175.868 175.800 -0.189 0.000 1.122 578 F CA -0.817 57.132 58.000 -0.085 0.000 1.090 578 F CB 0.217 39.226 39.000 0.015 0.000 1.150 578 F HN 0.368 nan 8.300 nan 0.000 0.472 579 H N 4.420 123.546 119.070 0.093 0.000 2.548 579 H HA 0.341 4.890 4.556 -0.011 0.000 0.331 579 H C 0.653 175.786 175.328 -0.324 0.000 1.093 579 H CA 0.245 56.234 56.048 -0.098 0.000 1.367 579 H CB 1.375 31.122 29.762 -0.026 0.000 1.455 579 H HN 0.844 nan 8.280 nan 0.000 0.519 580 G N 2.267 110.980 108.800 -0.145 0.000 2.485 580 G HA2 0.171 4.124 3.960 -0.012 0.000 0.260 580 G HA3 0.171 4.124 3.960 -0.012 0.000 0.260 580 G C -0.270 174.588 174.900 -0.070 0.000 1.459 580 G CA -0.682 44.302 45.100 -0.194 0.000 1.060 580 G HN 0.448 nan 8.290 nan 0.000 0.546 581 R N -0.428 120.056 120.500 -0.026 0.000 2.340 581 R HA 0.550 4.883 4.340 -0.012 0.000 0.300 581 R C 0.939 177.306 176.300 0.112 0.000 1.069 581 R CA 0.305 56.424 56.100 0.031 0.000 0.984 581 R CB 0.180 30.510 30.300 0.050 0.000 1.003 581 R HN 1.300 nan 8.270 nan 0.000 0.459 582 G N 1.009 109.863 108.800 0.090 0.000 2.552 582 G HA2 0.156 4.109 3.960 -0.012 0.000 0.265 582 G HA3 0.156 4.109 3.960 -0.012 0.000 0.265 582 G C 0.475 175.386 174.900 0.019 0.000 1.234 582 G CA -0.001 45.154 45.100 0.090 0.000 0.944 582 G HN 1.390 nan 8.290 nan 0.000 0.568 583 G N -2.428 106.364 108.800 -0.012 0.000 2.693 583 G HA2 0.213 4.166 3.960 -0.012 0.000 0.226 583 G HA3 0.213 4.166 3.960 -0.012 0.000 0.226 583 G C 1.341 176.082 174.900 -0.265 0.000 1.354 583 G CA 1.914 46.770 45.100 -0.406 0.000 0.873 583 G HN 2.543 nan 8.290 nan 0.000 0.562 584 S N -0.953 114.551 115.700 -0.327 0.000 2.501 584 S HA 0.219 4.682 4.470 -0.012 0.000 0.220 584 S C 2.298 176.806 174.600 -0.152 0.000 0.997 584 S CA 1.168 59.241 58.200 -0.212 0.000 0.919 584 S CB -0.050 63.010 63.200 -0.233 0.000 0.778 584 S HN 0.678 nan 8.310 nan 0.000 0.523 585 I N 1.639 122.103 120.570 -0.177 0.000 2.761 585 I HA 0.060 4.223 4.170 -0.012 0.000 0.261 585 I C 2.113 178.197 176.117 -0.055 0.000 1.198 585 I CA 1.015 62.226 61.300 -0.147 0.000 1.482 585 I CB -0.627 37.204 38.000 -0.281 0.000 1.100 585 I HN 0.522 nan 8.210 nan 0.000 0.445 586 G N 0.480 109.255 108.800 -0.041 0.000 3.609 586 G HA2 0.097 4.050 3.960 -0.012 0.000 0.280 586 G HA3 0.097 4.050 3.960 -0.012 0.000 0.280 586 G C 1.373 176.290 174.900 0.029 0.000 1.155 586 G CA -0.359 44.757 45.100 0.027 0.000 0.876 586 G HN 0.224 nan 8.290 nan 0.000 0.535 587 R N -0.087 120.414 120.500 0.003 0.000 2.161 587 R HA 0.244 4.577 4.340 -0.012 0.000 0.213 587 R C 1.428 177.727 176.300 -0.001 0.000 1.055 587 R CA 0.652 56.743 56.100 -0.016 0.000 0.996 587 R CB 0.066 30.339 30.300 -0.045 0.000 0.901 587 R HN 0.443 nan 8.270 nan 0.000 0.456 588 G N -0.270 108.547 108.800 0.029 0.000 2.758 588 G HA2 0.007 3.960 3.960 -0.012 0.000 0.686 588 G HA3 0.007 3.960 3.960 -0.012 0.000 0.686 588 G C 0.315 175.201 174.900 -0.023 0.000 1.389 588 G CA -0.403 44.694 45.100 -0.004 0.000 0.845 588 G HN 0.582 nan 8.290 nan 0.000 0.572 589 G N -0.074 108.688 108.800 -0.064 0.000 2.581 589 G HA2 0.148 4.101 3.960 -0.012 0.000 0.291 589 G HA3 0.148 4.101 3.960 -0.012 0.000 0.291 589 G C 1.798 176.698 174.900 0.001 0.000 1.277 589 G CA 2.449 47.524 45.100 -0.043 0.000 0.959 589 G HN 2.561 nan 8.290 nan 0.000 0.554 590 A N 0.267 123.087 122.820 0.000 0.000 1.883 590 A HA 0.081 4.394 4.320 -0.012 0.000 0.217 590 A C 0.814 178.426 177.584 0.047 0.000 1.186 590 A CA 3.298 55.340 52.037 0.008 0.000 0.624 590 A CB -1.548 17.446 19.000 -0.010 0.000 0.822 590 A HN 0.573 nan 8.150 nan 0.000 0.444 591 P HA -0.167 nan 4.420 nan 0.000 0.216 591 P C 1.732 179.046 177.300 0.023 0.000 1.153 591 P CA 2.058 65.159 63.100 0.001 0.000 0.858 591 P CB -0.153 31.526 31.700 -0.035 0.000 0.789 592 A N -0.700 122.148 122.820 0.047 0.000 1.877 592 A HA -0.269 4.044 4.320 -0.012 0.000 0.216 592 A C 2.377 180.029 177.584 0.113 0.000 1.186 592 A CA 1.725 53.807 52.037 0.075 0.000 0.620 592 A CB -1.927 17.159 19.000 0.143 0.000 0.822 592 A HN 0.233 nan 8.150 nan 0.000 0.443 593 H N 0.307 119.404 119.070 0.044 0.000 2.352 593 H HA -0.130 4.419 4.556 -0.011 0.000 0.299 593 H C 2.273 177.619 175.328 0.030 0.000 1.097 593 H CA 1.936 58.015 56.048 0.052 0.000 1.311 593 H CB -0.305 29.480 29.762 0.038 0.000 1.377 593 H HN 0.403 nan 8.280 nan 0.000 0.504 594 A N 1.268 124.199 122.820 0.185 0.000 1.845 594 A HA -0.108 4.205 4.320 -0.012 0.000 0.215 594 A C 2.801 180.391 177.584 0.010 0.000 1.195 594 A CA 2.214 54.310 52.037 0.097 0.000 0.616 594 A CB -1.304 17.732 19.000 0.059 0.000 0.832 594 A HN 0.569 nan 8.150 nan 0.000 0.443 595 A N -0.430 122.380 122.820 -0.017 0.000 1.908 595 A HA -0.093 4.220 4.320 -0.012 0.000 0.218 595 A C 2.191 179.740 177.584 -0.059 0.000 1.181 595 A CA 1.592 53.594 52.037 -0.059 0.000 0.627 595 A CB -0.631 18.314 19.000 -0.092 0.000 0.818 595 A HN 0.488 nan 8.150 nan 0.000 0.445 596 L N -0.759 120.424 121.223 -0.066 0.000 2.046 596 L HA -0.166 4.167 4.340 -0.012 0.000 0.208 596 L C 2.455 179.294 176.870 -0.051 0.000 1.077 596 L CA 1.167 55.956 54.840 -0.086 0.000 0.747 596 L CB -0.532 41.471 42.059 -0.094 0.000 0.896 596 L HN 0.408 nan 8.230 nan 0.000 0.432 597 L N -0.494 120.693 121.223 -0.060 0.000 2.275 597 L HA -0.117 4.216 4.340 -0.012 0.000 0.215 597 L C 2.132 179.036 176.870 0.057 0.000 1.119 597 L CA 0.974 55.805 54.840 -0.015 0.000 0.790 597 L CB -0.390 41.652 42.059 -0.028 0.000 0.919 597 L HN 0.315 nan 8.230 nan 0.000 0.443 598 S N -0.970 114.765 115.700 0.058 0.000 2.677 598 S HA 0.165 4.628 4.470 -0.012 0.000 0.246 598 S C 0.371 175.097 174.600 0.210 0.000 1.005 598 S CA -0.612 57.656 58.200 0.114 0.000 1.062 598 S CB -0.136 63.081 63.200 0.029 0.000 0.778 598 S HN 0.353 nan 8.310 nan 0.000 0.461 599 Q N 1.435 121.349 119.800 0.190 0.000 2.301 599 Q HA 0.482 4.815 4.340 -0.012 0.000 0.267 599 Q C -2.783 173.339 176.000 0.203 0.000 1.035 599 Q CA -2.860 53.070 55.803 0.212 0.000 0.856 599 Q CB 0.966 29.774 28.738 0.118 0.000 1.337 599 Q HN 0.188 nan 8.270 nan 0.000 0.450 600 P HA -0.057 nan 4.420 nan 0.000 0.263 600 P C -2.433 174.909 177.300 0.070 0.000 1.175 600 P CA -0.564 62.540 63.100 0.007 0.000 0.761 600 P CB -0.460 31.044 31.700 -0.327 0.000 0.794 601 P HA -0.016 nan 4.420 nan 0.000 0.266 601 P C 1.193 178.525 177.300 0.052 0.000 1.193 601 P CA 1.256 64.411 63.100 0.090 0.000 0.770 601 P CB 0.130 31.891 31.700 0.101 0.000 0.836 602 G N 1.165 109.995 108.800 0.049 0.000 2.420 602 G HA2 -0.343 3.610 3.960 -0.012 0.000 0.221 602 G HA3 -0.343 3.610 3.960 -0.012 0.000 0.221 602 G C 1.623 176.546 174.900 0.039 0.000 1.117 602 G CA 0.483 45.605 45.100 0.036 0.000 0.657 602 G HN 0.456 nan 8.290 nan 0.000 0.512 603 S N 0.024 115.750 115.700 0.043 0.000 2.443 603 S HA -0.161 4.302 4.470 -0.012 0.000 0.246 603 S C 1.678 176.322 174.600 0.073 0.000 1.058 603 S CA 1.932 60.169 58.200 0.061 0.000 1.028 603 S CB -0.175 63.070 63.200 0.075 0.000 0.821 603 S HN 0.602 nan 8.310 nan 0.000 0.484 604 L N -0.661 120.596 121.223 0.057 0.000 3.229 604 L HA 0.307 4.640 4.340 -0.012 0.000 0.286 604 L C 1.406 178.302 176.870 0.044 0.000 1.239 604 L CA -0.052 54.819 54.840 0.051 0.000 1.035 604 L CB 0.231 42.311 42.059 0.035 0.000 1.408 604 L HN -0.004 nan 8.230 nan 0.000 0.593 605 K N 0.771 121.196 120.400 0.042 0.000 2.147 605 K HA -0.053 4.260 4.320 -0.012 0.000 0.205 605 K C 1.503 178.124 176.600 0.034 0.000 1.049 605 K CA 1.348 57.657 56.287 0.037 0.000 0.936 605 K CB 0.025 32.544 32.500 0.032 0.000 0.722 605 K HN 0.371 nan 8.250 nan 0.000 0.446 606 G N 0.117 108.938 108.800 0.035 0.000 3.609 606 G HA2 0.409 4.363 3.960 -0.012 0.000 0.280 606 G HA3 0.409 4.363 3.960 -0.012 0.000 0.280 606 G C -0.018 174.899 174.900 0.028 0.000 1.155 606 G CA 0.133 45.251 45.100 0.030 0.000 0.876 606 G HN 0.540 nan 8.290 nan 0.000 0.535 607 G N -0.526 108.293 108.800 0.032 0.000 2.756 607 G HA2 0.075 4.028 3.960 -0.012 0.000 0.678 607 G HA3 0.075 4.028 3.960 -0.012 0.000 0.678 607 G C -0.753 174.158 174.900 0.019 0.000 1.349 607 G CA -0.342 44.771 45.100 0.021 0.000 0.847 607 G HN 1.030 nan 8.290 nan 0.000 0.548 608 L N 0.340 121.553 121.223 -0.016 0.000 2.280 608 L HA 0.866 5.199 4.340 -0.012 0.000 0.287 608 L C 0.377 177.213 176.870 -0.056 0.000 1.023 608 L CA -0.622 54.191 54.840 -0.044 0.000 0.819 608 L CB 1.190 43.160 42.059 -0.150 0.000 1.212 608 L HN 0.751 nan 8.230 nan 0.000 0.420 609 R N 4.618 125.138 120.500 0.033 0.000 2.451 609 R HA 0.785 5.118 4.340 -0.012 0.000 0.307 609 R C -1.864 174.596 176.300 0.268 0.000 0.965 609 R CA -0.515 55.611 56.100 0.042 0.000 0.865 609 R CB 1.433 31.702 30.300 -0.051 0.000 1.174 609 R HN 0.568 nan 8.270 nan 0.000 0.455 610 V N 1.169 121.192 119.914 0.181 0.000 3.007 610 V HA 0.434 4.547 4.120 -0.012 0.000 0.311 610 V C -0.140 176.053 176.094 0.164 0.000 1.120 610 V CA -0.995 61.419 62.300 0.190 0.000 0.980 610 V CB 2.102 33.927 31.823 0.004 0.000 1.033 610 V HN 0.619 nan 8.190 nan 0.000 0.429 611 T N 2.806 117.377 114.554 0.028 0.000 2.875 611 T HA 0.219 4.562 4.350 -0.012 0.000 0.307 611 T C -0.029 174.639 174.700 -0.053 0.000 1.013 611 T CA -0.154 61.855 62.100 -0.151 0.000 0.970 611 T CB -0.353 68.253 68.868 -0.437 0.000 0.986 611 T HN 0.639 nan 8.240 nan 0.000 0.536 612 E N 4.016 124.232 120.200 0.027 0.000 2.351 612 E HA 0.020 4.363 4.350 -0.012 0.000 0.266 612 E C 0.776 177.439 176.600 0.105 0.000 1.031 612 E CA -0.222 56.263 56.400 0.142 0.000 0.911 612 E CB 0.580 30.444 29.700 0.274 0.000 0.986 612 E HN 0.635 nan 8.360 nan 0.000 0.446 613 Q N 2.112 121.981 119.800 0.115 0.000 2.337 613 Q HA 0.109 4.442 4.340 -0.012 0.000 0.270 613 Q C 0.933 177.010 176.000 0.129 0.000 1.002 613 Q CA 0.297 56.160 55.803 0.101 0.000 0.888 613 Q CB 0.639 29.445 28.738 0.114 0.000 1.222 613 Q HN 0.576 nan 8.270 nan 0.000 0.400 614 G N 3.750 112.596 108.800 0.077 0.000 2.514 614 G HA2 -0.354 3.599 3.960 -0.012 0.000 0.217 614 G HA3 -0.354 3.599 3.960 -0.012 0.000 0.217 614 G C 0.811 175.649 174.900 -0.103 0.000 1.198 614 G CA 1.099 46.216 45.100 0.029 0.000 0.780 614 G HN 0.771 nan 8.290 nan 0.000 0.565 615 E N 0.138 120.187 120.200 -0.251 0.000 2.463 615 E HA 0.036 4.379 4.350 -0.012 0.000 0.201 615 E C 2.007 178.646 176.600 0.064 0.000 1.045 615 E CA 0.539 56.753 56.400 -0.311 0.000 0.872 615 E CB -0.083 29.587 29.700 -0.051 0.000 0.797 615 E HN 0.344 nan 8.360 nan 0.000 0.538 616 M N -0.166 119.527 119.600 0.155 0.000 2.371 616 M HA 0.163 4.637 4.480 -0.012 0.000 0.246 616 M C 1.217 177.652 176.300 0.224 0.000 1.103 616 M CA 0.145 55.600 55.300 0.259 0.000 1.010 616 M CB 0.155 32.886 32.600 0.217 0.000 1.457 616 M HN 0.125 nan 8.290 nan 0.000 0.486 617 I N 0.251 120.965 120.570 0.239 0.000 2.163 617 I HA -0.316 3.847 4.170 -0.012 0.000 0.243 617 I C 2.451 178.630 176.117 0.103 0.000 1.085 617 I CA 1.474 62.944 61.300 0.284 0.000 1.347 617 I CB -1.065 37.143 38.000 0.347 0.000 1.044 617 I HN 0.400 nan 8.210 nan 0.000 0.408 618 R N 0.914 121.350 120.500 -0.108 0.000 2.096 618 R HA -0.211 4.122 4.340 -0.012 0.000 0.240 618 R C 2.310 178.405 176.300 -0.341 0.000 1.139 618 R CA 1.908 57.798 56.100 -0.349 0.000 0.952 618 R CB -0.309 29.544 30.300 -0.745 0.000 0.854 618 R HN 0.187 nan 8.270 nan 0.000 0.436 619 F N 0.454 120.450 119.950 0.077 0.000 2.558 619 F HA 0.081 4.601 4.527 -0.012 0.000 0.298 619 F C 1.878 177.648 175.800 -0.049 0.000 1.119 619 F CA 0.807 58.820 58.000 0.022 0.000 1.451 619 F CB 0.067 39.078 39.000 0.019 0.000 1.091 619 F HN -0.005 nan 8.300 nan 0.000 0.563 620 K N -1.717 118.690 120.400 0.011 0.000 2.350 620 K HA 0.128 4.441 4.320 -0.012 0.000 0.196 620 K C 0.207 176.436 176.600 -0.619 0.000 1.084 620 K CA 0.661 56.750 56.287 -0.330 0.000 0.967 620 K CB 0.239 32.485 32.500 -0.424 0.000 0.950 620 K HN 0.252 nan 8.250 nan 0.000 0.512 621 Y N -0.476 119.855 120.300 0.052 0.000 2.717 621 Y HA 0.235 4.778 4.550 -0.011 0.000 0.250 621 Y C 1.743 177.632 175.900 -0.018 0.000 1.149 621 Y CA -0.527 57.590 58.100 0.028 0.000 1.211 621 Y CB 0.475 38.964 38.460 0.049 0.000 1.289 621 Y HN 0.035 nan 8.280 nan 0.000 0.552 622 G N 1.045 109.878 108.800 0.055 0.000 2.507 622 G HA2 -0.144 3.809 3.960 -0.012 0.000 0.221 622 G HA3 -0.144 3.809 3.960 -0.012 0.000 0.221 622 G C 0.418 175.327 174.900 0.015 0.000 1.119 622 G CA 1.084 46.182 45.100 -0.003 0.000 0.751 622 G HN 0.240 nan 8.290 nan 0.000 0.574 623 L N -1.748 119.499 121.223 0.041 0.000 2.376 623 L HA 0.366 4.699 4.340 -0.012 0.000 0.258 623 L C -1.948 174.958 176.870 0.061 0.000 1.013 623 L CA -2.172 52.696 54.840 0.047 0.000 0.822 623 L CB 2.511 44.604 42.059 0.057 0.000 1.388 623 L HN -0.272 nan 8.230 nan 0.000 0.413 624 P HA -0.154 nan 4.420 nan 0.000 0.216 624 P C 0.741 178.083 177.300 0.071 0.000 1.153 624 P CA 1.279 64.424 63.100 0.074 0.000 0.858 624 P CB 0.331 32.072 31.700 0.068 0.000 0.789 625 E N -0.740 119.494 120.200 0.056 0.000 2.106 625 E HA -0.101 4.242 4.350 -0.012 0.000 0.192 625 E C 1.989 178.603 176.600 0.024 0.000 0.984 625 E CA 0.832 57.257 56.400 0.041 0.000 0.806 625 E CB -0.903 28.815 29.700 0.030 0.000 0.750 625 E HN 0.259 nan 8.360 nan 0.000 0.458 626 I N 0.751 121.334 120.570 0.022 0.000 2.286 626 I HA -0.272 3.891 4.170 -0.012 0.000 0.248 626 I C 2.075 178.164 176.117 -0.047 0.000 1.115 626 I CA 1.182 62.473 61.300 -0.015 0.000 1.392 626 I CB -0.488 37.510 38.000 -0.003 0.000 1.065 626 I HN 0.114 nan 8.210 nan 0.000 0.418 627 T N 0.725 115.299 114.554 0.034 0.000 2.635 627 T HA -0.177 4.166 4.350 -0.012 0.000 0.267 627 T C 2.057 176.788 174.700 0.053 0.000 1.040 627 T CA 1.673 63.843 62.100 0.116 0.000 1.156 627 T CB -0.408 68.594 68.868 0.223 0.000 0.863 627 T HN 0.107 nan 8.240 nan 0.000 0.430 628 V N 1.112 121.067 119.914 0.069 0.000 2.324 628 V HA -0.213 3.900 4.120 -0.012 0.000 0.250 628 V C 2.687 178.784 176.094 0.005 0.000 1.060 628 V CA 2.099 64.448 62.300 0.083 0.000 1.042 628 V CB -0.901 30.986 31.823 0.106 0.000 0.650 628 V HN 0.487 nan 8.190 nan 0.000 0.450 629 S N -0.451 115.228 115.700 -0.036 0.000 2.351 629 S HA -0.235 4.228 4.470 -0.012 0.000 0.220 629 S C 2.284 176.782 174.600 -0.170 0.000 1.035 629 S CA 2.175 60.327 58.200 -0.079 0.000 1.031 629 S CB -0.381 62.770 63.200 -0.081 0.000 0.928 629 S HN 0.651 nan 8.310 nan 0.000 0.433 630 S N 1.585 117.128 115.700 -0.262 0.000 2.365 630 S HA -0.068 4.396 4.470 -0.012 0.000 0.225 630 S C 1.845 176.141 174.600 -0.506 0.000 1.039 630 S CA 1.563 59.472 58.200 -0.486 0.000 1.033 630 S CB -0.605 62.207 63.200 -0.647 0.000 0.887 630 S HN 0.446 nan 8.310 nan 0.000 0.447 631 L N 0.880 121.923 121.223 -0.301 0.000 2.093 631 L HA -0.075 4.258 4.340 -0.012 0.000 0.208 631 L C 2.560 179.215 176.870 -0.358 0.000 1.085 631 L CA 0.943 55.541 54.840 -0.404 0.000 0.755 631 L CB -0.653 40.901 42.059 -0.840 0.000 0.904 631 L HN 0.289 nan 8.230 nan 0.000 0.435 632 S N 0.107 115.696 115.700 -0.184 0.000 2.368 632 S HA -0.119 4.344 4.470 -0.012 0.000 0.224 632 S C 1.986 176.615 174.600 0.049 0.000 1.029 632 S CA 1.026 59.254 58.200 0.046 0.000 0.988 632 S CB -0.196 63.054 63.200 0.084 0.000 0.838 632 S HN 0.259 nan 8.310 nan 0.000 0.462 633 L N 0.063 121.260 121.223 -0.042 0.000 1.970 633 L HA -0.184 4.149 4.340 -0.012 0.000 0.212 633 L C 2.403 179.378 176.870 0.176 0.000 1.071 633 L CA 1.564 56.422 54.840 0.030 0.000 0.751 633 L CB -0.703 41.294 42.059 -0.103 0.000 0.889 633 L HN 0.307 nan 8.230 nan 0.000 0.432 634 Y N 0.330 120.656 120.300 0.043 0.000 2.114 634 Y HA -0.277 4.266 4.550 -0.011 0.000 0.282 634 Y C 2.908 178.827 175.900 0.032 0.000 1.165 634 Y CA 1.561 59.671 58.100 0.017 0.000 1.148 634 Y CB -1.601 36.846 38.460 -0.022 0.000 0.972 634 Y HN 0.208 nan 8.280 nan 0.000 0.504 635 T N -0.475 114.211 114.554 0.220 0.000 2.699 635 T HA -0.199 4.144 4.350 -0.012 0.000 0.268 635 T C 2.249 177.053 174.700 0.173 0.000 1.036 635 T CA 1.572 63.791 62.100 0.198 0.000 1.147 635 T CB -0.967 68.061 68.868 0.266 0.000 0.862 635 T HN 0.571 nan 8.240 nan 0.000 0.446 636 G N 1.043 109.959 108.800 0.193 0.000 2.418 636 G HA2 -0.058 3.895 3.960 -0.012 0.000 0.217 636 G HA3 -0.058 3.895 3.960 -0.012 0.000 0.217 636 G C 1.845 176.809 174.900 0.105 0.000 1.158 636 G CA 0.921 46.141 45.100 0.201 0.000 0.771 636 G HN 0.592 nan 8.290 nan 0.000 0.545 637 A N 1.024 123.845 122.820 0.001 0.000 1.908 637 A HA -0.020 4.293 4.320 -0.012 0.000 0.218 637 A C 2.336 179.880 177.584 -0.066 0.000 1.181 637 A CA 1.641 53.542 52.037 -0.227 0.000 0.627 637 A CB -0.286 18.590 19.000 -0.206 0.000 0.818 637 A HN 0.289 nan 8.150 nan 0.000 0.445 638 I N 0.122 120.702 120.570 0.017 0.000 2.113 638 I HA -0.233 3.930 4.170 -0.012 0.000 0.238 638 I C 2.525 178.668 176.117 0.044 0.000 1.070 638 I CA 1.207 62.527 61.300 0.032 0.000 1.332 638 I CB -1.844 36.191 38.000 0.059 0.000 1.044 638 I HN 0.274 nan 8.210 nan 0.000 0.402 639 L N 0.209 121.473 121.223 0.068 0.000 2.042 639 L HA -0.212 4.121 4.340 -0.012 0.000 0.210 639 L C 2.619 179.524 176.870 0.059 0.000 1.076 639 L CA 1.510 56.394 54.840 0.073 0.000 0.749 639 L CB -0.651 41.463 42.059 0.092 0.000 0.893 639 L HN 0.316 nan 8.230 nan 0.000 0.432 640 E N 0.059 120.288 120.200 0.048 0.000 2.072 640 E HA -0.212 4.131 4.350 -0.012 0.000 0.191 640 E C 2.285 178.905 176.600 0.034 0.000 0.985 640 E CA 1.066 57.493 56.400 0.045 0.000 0.801 640 E CB -0.026 29.699 29.700 0.043 0.000 0.750 640 E HN 0.470 nan 8.360 nan 0.000 0.452 641 A N 1.191 124.018 122.820 0.012 0.000 1.933 641 A HA -0.193 4.120 4.320 -0.012 0.000 0.218 641 A C 1.792 179.402 177.584 0.044 0.000 1.175 641 A CA 1.564 53.615 52.037 0.025 0.000 0.628 641 A CB -0.409 18.596 19.000 0.008 0.000 0.814 641 A HN 0.198 nan 8.150 nan 0.000 0.444 642 N N -0.354 118.372 118.700 0.043 0.000 2.300 642 N HA 0.039 4.772 4.740 -0.012 0.000 0.179 642 N C 1.442 176.982 175.510 0.050 0.000 1.016 642 N CA 1.064 54.143 53.050 0.047 0.000 0.876 642 N CB -0.251 38.264 38.487 0.047 0.000 0.979 642 N HN 0.499 nan 8.380 nan 0.000 0.432 643 L N -0.613 120.642 121.223 0.053 0.000 2.357 643 L HA 0.236 4.570 4.340 -0.012 0.000 0.211 643 L C 0.078 176.982 176.870 0.057 0.000 1.075 643 L CA 0.461 55.334 54.840 0.054 0.000 0.830 643 L CB 0.163 42.256 42.059 0.056 0.000 0.996 643 L HN -0.064 nan 8.230 nan 0.000 0.467 644 L N 1.451 122.711 121.223 0.062 0.000 2.457 644 L HA 0.403 4.736 4.340 -0.012 0.000 0.252 644 L C -2.441 174.477 176.870 0.080 0.000 1.132 644 L CA -1.654 53.228 54.840 0.070 0.000 0.938 644 L CB 0.684 42.786 42.059 0.072 0.000 1.246 644 L HN -0.168 nan 8.230 nan 0.000 0.476 645 P HA 0.251 nan 4.420 nan 0.000 0.272 645 P C -2.393 174.987 177.300 0.134 0.000 1.230 645 P CA -1.079 62.083 63.100 0.104 0.000 0.788 645 P CB -0.245 31.515 31.700 0.100 0.000 0.949 646 P HA 0.235 nan 4.420 nan 0.000 0.272 646 P C -2.378 175.066 177.300 0.240 0.000 1.240 646 P CA -1.303 61.936 63.100 0.231 0.000 0.791 646 P CB -0.893 30.988 31.700 0.302 0.000 0.978 647 P HA 0.276 nan 4.420 nan 0.000 0.276 647 P C -0.363 177.076 177.300 0.232 0.000 1.244 647 P CA -0.162 63.063 63.100 0.207 0.000 0.801 647 P CB 0.734 32.553 31.700 0.199 0.000 1.006 648 E N 1.847 122.126 120.200 0.132 0.000 2.354 648 E HA 0.237 4.580 4.350 -0.012 0.000 0.269 648 E C -1.849 174.709 176.600 -0.071 0.000 1.036 648 E CA -1.764 54.701 56.400 0.108 0.000 0.876 648 E CB -0.138 29.600 29.700 0.063 0.000 1.009 648 E HN 0.348 nan 8.360 nan 0.000 0.416 649 P HA -0.009 nan 4.420 nan 0.000 0.269 649 P C -0.874 176.087 177.300 -0.566 0.000 1.209 649 P CA 0.104 62.824 63.100 -0.633 0.000 0.776 649 P CB 0.509 31.577 31.700 -1.054 0.000 0.876 650 K N 1.506 121.296 120.400 -1.016 0.000 2.382 650 K HA -0.017 4.296 4.320 -0.012 0.000 0.275 650 K C 1.517 177.721 176.600 -0.659 0.000 1.009 650 K CA 0.009 55.663 56.287 -1.055 0.000 0.970 650 K CB 0.312 31.665 32.500 -1.912 0.000 0.934 650 K HN 0.457 nan 8.250 nan 0.000 0.479 651 E N 0.904 120.857 120.200 -0.412 0.000 2.097 651 E HA -0.245 4.098 4.350 -0.012 0.000 0.196 651 E C 1.602 178.081 176.600 -0.201 0.000 1.000 651 E CA 1.994 58.253 56.400 -0.234 0.000 0.804 651 E CB 0.110 29.716 29.700 -0.156 0.000 0.740 651 E HN 0.704 nan 8.360 nan 0.000 0.454 652 S N -0.318 115.229 115.700 -0.255 0.000 2.419 652 S HA -0.153 4.310 4.470 -0.012 0.000 0.233 652 S C 1.592 176.191 174.600 -0.003 0.000 1.016 652 S CA 0.672 58.800 58.200 -0.121 0.000 0.974 652 S CB -0.494 62.644 63.200 -0.104 0.000 0.786 652 S HN 0.336 nan 8.310 nan 0.000 0.492 653 W N 2.649 123.791 121.300 -0.263 0.000 2.379 653 W HA 0.150 4.803 4.660 -0.012 0.000 0.307 653 W C 2.697 179.006 176.519 -0.351 0.000 1.200 653 W CA 0.184 57.316 57.345 -0.355 0.000 1.297 653 W CB -1.061 28.054 29.460 -0.574 0.000 1.140 653 W HN 0.383 nan 8.180 nan 0.000 0.507 654 R N 0.243 120.690 120.500 -0.089 0.000 2.103 654 R HA -0.165 4.168 4.340 -0.012 0.000 0.242 654 R C 2.109 178.419 176.300 0.017 0.000 1.142 654 R CA 1.684 57.775 56.100 -0.015 0.000 0.960 654 R CB -0.712 29.680 30.300 0.154 0.000 0.858 654 R HN 0.190 nan 8.270 nan 0.000 0.439 655 R N 0.325 120.832 120.500 0.013 0.000 2.148 655 R HA 0.051 4.384 4.340 -0.012 0.000 0.223 655 R C 2.245 178.540 176.300 -0.007 0.000 1.088 655 R CA 0.817 56.934 56.100 0.027 0.000 0.985 655 R CB -0.064 30.247 30.300 0.019 0.000 0.880 655 R HN 0.228 nan 8.270 nan 0.000 0.451 656 I N 0.006 120.547 120.570 -0.048 0.000 2.353 656 I HA -0.190 3.973 4.170 -0.012 0.000 0.248 656 I C 1.982 178.025 176.117 -0.123 0.000 1.119 656 I CA 0.949 62.208 61.300 -0.068 0.000 1.417 656 I CB -0.316 37.629 38.000 -0.091 0.000 1.078 656 I HN 0.182 nan 8.210 nan 0.000 0.421 657 M N 0.604 120.035 119.600 -0.282 0.000 2.086 657 M HA -0.182 4.291 4.480 -0.012 0.000 0.261 657 M C 1.913 178.018 176.300 -0.325 0.000 1.067 657 M CA 1.685 56.644 55.300 -0.569 0.000 1.116 657 M CB -1.282 30.374 32.600 -1.573 0.000 1.348 657 M HN 0.163 nan 8.290 nan 0.000 0.407 658 D N 0.145 120.523 120.400 -0.036 0.000 2.126 658 D HA -0.226 4.407 4.640 -0.012 0.000 0.190 658 D C 1.949 178.341 176.300 0.152 0.000 1.001 658 D CA 1.481 55.632 54.000 0.252 0.000 0.841 658 D CB -0.309 40.638 40.800 0.245 0.000 0.949 658 D HN 0.510 nan 8.370 nan 0.000 0.446 659 E N 0.155 120.403 120.200 0.080 0.000 2.106 659 E HA -0.116 4.228 4.350 -0.012 0.000 0.192 659 E C 2.477 179.121 176.600 0.072 0.000 0.984 659 E CA 0.268 56.710 56.400 0.070 0.000 0.806 659 E CB -0.037 29.690 29.700 0.046 0.000 0.750 659 E HN 0.218 nan 8.360 nan 0.000 0.458 660 L N 0.232 121.488 121.223 0.055 0.000 1.994 660 L HA -0.197 4.136 4.340 -0.012 0.000 0.208 660 L C 2.787 179.724 176.870 0.112 0.000 1.071 660 L CA 1.350 56.236 54.840 0.076 0.000 0.745 660 L CB -0.554 41.547 42.059 0.070 0.000 0.892 660 L HN 0.195 nan 8.230 nan 0.000 0.431 661 S N -0.531 115.254 115.700 0.142 0.000 2.365 661 S HA -0.193 4.270 4.470 -0.012 0.000 0.225 661 S C 1.924 176.622 174.600 0.163 0.000 1.039 661 S CA 1.751 60.075 58.200 0.207 0.000 1.033 661 S CB -0.208 63.212 63.200 0.367 0.000 0.887 661 S HN 0.203 nan 8.310 nan 0.000 0.447 662 V N 1.801 121.801 119.914 0.144 0.000 2.270 662 V HA -0.137 3.977 4.120 -0.012 0.000 0.245 662 V C 2.303 178.455 176.094 0.097 0.000 1.043 662 V CA 2.079 64.446 62.300 0.112 0.000 1.014 662 V CB -0.677 31.205 31.823 0.098 0.000 0.645 662 V HN 0.515 nan 8.190 nan 0.000 0.447 663 I N 1.047 121.671 120.570 0.090 0.000 2.118 663 I HA -0.293 3.870 4.170 -0.012 0.000 0.241 663 I C 2.725 178.902 176.117 0.099 0.000 1.070 663 I CA 2.023 63.373 61.300 0.084 0.000 1.327 663 I CB -0.669 37.378 38.000 0.078 0.000 1.034 663 I HN 0.477 nan 8.210 nan 0.000 0.405 664 S N 0.177 115.943 115.700 0.110 0.000 2.359 664 S HA -0.307 4.156 4.470 -0.012 0.000 0.224 664 S C 2.273 176.952 174.600 0.131 0.000 1.035 664 S CA 1.315 59.586 58.200 0.119 0.000 1.018 664 S CB -1.459 61.806 63.200 0.107 0.000 0.876 664 S HN 0.651 nan 8.310 nan 0.000 0.448 665 C N 2.051 121.423 119.300 0.120 0.000 2.429 665 C HA -0.109 4.344 4.460 -0.012 0.000 0.277 665 C C 2.485 177.558 174.990 0.138 0.000 1.262 665 C CA 1.532 60.630 59.018 0.132 0.000 1.733 665 C CB -1.649 26.156 27.740 0.108 0.000 2.010 665 C HN 0.686 nan 8.230 nan 0.000 0.483 666 D N 0.064 120.524 120.400 0.101 0.000 2.092 666 D HA -0.130 4.503 4.640 -0.012 0.000 0.193 666 D C 2.151 178.488 176.300 0.063 0.000 0.994 666 D CA 1.996 56.036 54.000 0.068 0.000 0.828 666 D CB -0.123 40.710 40.800 0.055 0.000 0.963 666 D HN 0.370 nan 8.370 nan 0.000 0.450 667 V N -0.116 119.858 119.914 0.100 0.000 2.427 667 V HA -0.204 3.909 4.120 -0.012 0.000 0.248 667 V C 2.090 178.285 176.094 0.169 0.000 1.051 667 V CA 1.633 64.006 62.300 0.122 0.000 1.048 667 V CB -0.779 31.146 31.823 0.169 0.000 0.666 667 V HN 0.307 nan 8.190 nan 0.000 0.456 668 Y N 1.573 121.898 120.300 0.042 0.000 2.145 668 Y HA -0.206 4.337 4.550 -0.012 0.000 0.286 668 Y C 2.719 178.596 175.900 -0.038 0.000 1.145 668 Y CA 1.729 59.825 58.100 -0.007 0.000 1.148 668 Y CB -0.165 38.273 38.460 -0.036 0.000 0.981 668 Y HN 0.082 nan 8.280 nan 0.000 0.507 669 R N -0.228 120.249 120.500 -0.039 0.000 2.148 669 R HA -0.069 4.264 4.340 -0.012 0.000 0.227 669 R C 2.529 178.715 176.300 -0.191 0.000 1.103 669 R CA 0.861 56.868 56.100 -0.154 0.000 0.983 669 R CB -1.044 29.234 30.300 -0.036 0.000 0.874 669 R HN 0.532 nan 8.270 nan 0.000 0.451 670 G N 0.896 109.606 108.800 -0.150 0.000 2.513 670 G HA2 -0.296 3.657 3.960 -0.012 0.000 0.219 670 G HA3 -0.296 3.657 3.960 -0.012 0.000 0.219 670 G C 1.016 175.711 174.900 -0.341 0.000 1.160 670 G CA 0.991 45.950 45.100 -0.236 0.000 0.767 670 G HN 0.271 nan 8.290 nan 0.000 0.571 671 Y N -0.102 120.015 120.300 -0.305 0.000 2.138 671 Y HA 0.043 4.586 4.550 -0.012 0.000 0.286 671 Y C 3.092 178.563 175.900 -0.714 0.000 1.115 671 Y CA 0.778 58.621 58.100 -0.428 0.000 1.105 671 Y CB -0.853 37.315 38.460 -0.486 0.000 1.004 671 Y HN -0.000 nan 8.280 nan 0.000 0.494 672 V N 0.379 119.791 119.914 -0.836 0.000 2.282 672 V HA -0.344 3.769 4.120 -0.012 0.000 0.249 672 V C 2.266 178.141 176.094 -0.364 0.000 1.057 672 V CA 2.300 64.055 62.300 -0.909 0.000 1.032 672 V CB -0.506 30.787 31.823 -0.883 0.000 0.645 672 V HN 0.344 nan 8.190 nan 0.000 0.447 673 R N -0.806 119.530 120.500 -0.274 0.000 2.051 673 R HA 0.025 4.358 4.340 -0.012 0.000 0.218 673 R C 2.407 178.662 176.300 -0.075 0.000 1.188 673 R CA 0.938 56.962 56.100 -0.128 0.000 0.992 673 R CB -0.247 29.987 30.300 -0.110 0.000 0.883 673 R HN 0.541 nan 8.270 nan 0.000 0.444 674 E N 0.971 121.110 120.200 -0.101 0.000 2.051 674 E HA -0.134 4.209 4.350 -0.012 0.000 0.192 674 E C 0.556 177.125 176.600 -0.052 0.000 0.991 674 E CA 0.472 56.828 56.400 -0.075 0.000 0.799 674 E CB -0.150 29.491 29.700 -0.098 0.000 0.748 674 E HN 0.123 nan 8.360 nan 0.000 0.449 675 N N 1.382 120.042 118.700 -0.066 0.000 2.447 675 N HA -0.072 4.661 4.740 -0.012 0.000 0.263 675 N C 0.190 175.761 175.510 0.101 0.000 1.226 675 N CA 0.222 53.273 53.050 0.002 0.000 0.906 675 N CB 0.849 39.350 38.487 0.022 0.000 1.060 675 N HN -0.008 nan 8.380 nan 0.000 0.468 676 K N 2.159 122.611 120.400 0.086 0.000 2.217 676 K HA 0.017 4.330 4.320 -0.012 0.000 0.202 676 K C 0.613 177.303 176.600 0.150 0.000 1.051 676 K CA 1.012 57.361 56.287 0.103 0.000 0.952 676 K CB 0.357 32.896 32.500 0.065 0.000 0.736 676 K HN 0.414 nan 8.250 nan 0.000 0.453 677 D N -0.152 120.357 120.400 0.181 0.000 2.327 677 D HA 0.027 4.660 4.640 -0.012 0.000 0.205 677 D C 1.259 177.752 176.300 0.321 0.000 0.989 677 D CA 0.096 54.222 54.000 0.211 0.000 0.873 677 D CB -0.096 40.805 40.800 0.169 0.000 0.955 677 D HN 0.032 nan 8.370 nan 0.000 0.515 678 F N 1.990 122.076 119.950 0.227 0.000 2.015 678 F HA -0.336 4.184 4.527 -0.012 0.000 0.297 678 F C 2.282 178.334 175.800 0.420 0.000 1.141 678 F CA 1.477 59.677 58.000 0.334 0.000 1.192 678 F CB -0.647 38.508 39.000 0.258 0.000 0.957 678 F HN -0.209 nan 8.300 nan 0.000 0.491 679 V N 1.210 121.350 119.914 0.377 0.000 2.231 679 V HA -0.323 3.790 4.120 -0.012 0.000 0.250 679 V C -0.292 175.913 176.094 0.184 0.000 1.058 679 V CA 2.820 65.300 62.300 0.299 0.000 1.022 679 V CB -2.194 29.798 31.823 0.282 0.000 0.640 679 V HN 0.273 nan 8.190 nan 0.000 0.445 680 P HA -0.205 nan 4.420 nan 0.000 0.216 680 P C 1.574 178.940 177.300 0.110 0.000 1.153 680 P CA 1.693 64.857 63.100 0.106 0.000 0.858 680 P CB -0.180 31.590 31.700 0.116 0.000 0.789 681 Y N -0.168 120.164 120.300 0.053 0.000 2.070 681 Y HA -0.240 4.303 4.550 -0.012 0.000 0.280 681 Y C 2.299 178.203 175.900 0.007 0.000 1.148 681 Y CA 1.396 59.529 58.100 0.055 0.000 1.125 681 Y CB -1.409 37.109 38.460 0.096 0.000 0.975 681 Y HN -0.175 nan 8.280 nan 0.000 0.492 682 F N 1.493 121.254 119.950 -0.315 0.000 2.087 682 F HA -0.292 4.228 4.527 -0.012 0.000 0.299 682 F C 2.191 177.729 175.800 -0.438 0.000 1.100 682 F CA 2.330 60.035 58.000 -0.491 0.000 1.226 682 F CB -0.739 38.033 39.000 -0.380 0.000 0.983 682 F HN 0.062 nan 8.300 nan 0.000 0.479 683 R N -0.836 119.407 120.500 -0.429 0.000 2.189 683 R HA -0.023 4.310 4.340 -0.012 0.000 0.218 683 R C 2.463 178.551 176.300 -0.353 0.000 1.074 683 R CA 1.040 56.843 56.100 -0.494 0.000 0.991 683 R CB -0.406 29.710 30.300 -0.307 0.000 0.883 683 R HN 0.188 nan 8.270 nan 0.000 0.457 684 S N 0.254 115.778 115.700 -0.293 0.000 2.371 684 S HA 0.069 4.532 4.470 -0.012 0.000 0.219 684 S C 1.929 176.372 174.600 -0.261 0.000 1.040 684 S CA 0.810 58.876 58.200 -0.223 0.000 0.958 684 S CB 0.107 63.223 63.200 -0.140 0.000 0.860 684 S HN 0.436 nan 8.310 nan 0.000 0.487 685 A N 1.019 123.581 122.820 -0.429 0.000 2.014 685 A HA 0.099 4.412 4.320 -0.012 0.000 0.218 685 A C 1.404 178.827 177.584 -0.269 0.000 1.163 685 A CA 1.378 53.193 52.037 -0.370 0.000 0.652 685 A CB -0.580 18.008 19.000 -0.686 0.000 0.808 685 A HN 0.581 nan 8.150 nan 0.000 0.449 686 T N -3.976 110.320 114.554 -0.431 0.000 2.949 686 T HA 0.562 4.905 4.350 -0.012 0.000 0.287 686 T C -2.730 171.811 174.700 -0.266 0.000 1.034 686 T CA -1.875 59.995 62.100 -0.384 0.000 1.018 686 T CB 2.172 70.629 68.868 -0.685 0.000 1.135 686 T HN -0.007 nan 8.240 nan 0.000 0.532 687 P HA 0.220 nan 4.420 nan 0.000 0.243 687 P C 0.809 178.019 177.300 -0.149 0.000 1.672 687 P CA -0.211 62.823 63.100 -0.110 0.000 1.000 687 P CB 0.270 31.967 31.700 -0.005 0.000 1.562 688 E N 1.285 121.322 120.200 -0.272 0.000 2.049 688 E HA -0.251 4.092 4.350 -0.012 0.000 0.198 688 E C 1.559 178.045 176.600 -0.191 0.000 1.007 688 E CA 1.758 57.994 56.400 -0.274 0.000 0.809 688 E CB -0.130 29.180 29.700 -0.650 0.000 0.749 688 E HN 0.113 nan 8.360 nan 0.000 0.450 689 Q N 0.379 120.045 119.800 -0.223 0.000 2.061 689 Q HA -0.170 4.164 4.340 -0.012 0.000 0.204 689 Q C 1.970 177.911 176.000 -0.097 0.000 0.984 689 Q CA 2.204 57.917 55.803 -0.149 0.000 0.846 689 Q CB -0.129 28.517 28.738 -0.153 0.000 0.902 689 Q HN 0.377 nan 8.270 nan 0.000 0.421 690 E N -0.126 120.019 120.200 -0.092 0.000 2.274 690 E HA -0.137 4.206 4.350 -0.012 0.000 0.194 690 E C 1.908 178.485 176.600 -0.038 0.000 0.996 690 E CA 0.593 56.957 56.400 -0.059 0.000 0.840 690 E CB -0.405 29.264 29.700 -0.052 0.000 0.772 690 E HN 0.408 nan 8.360 nan 0.000 0.491 691 L N 0.823 122.026 121.223 -0.034 0.000 2.201 691 L HA -0.032 4.301 4.340 -0.012 0.000 0.212 691 L C 2.397 179.255 176.870 -0.020 0.000 1.105 691 L CA 1.169 56.005 54.840 -0.008 0.000 0.775 691 L CB -0.449 41.620 42.059 0.018 0.000 0.913 691 L HN 0.239 nan 8.230 nan 0.000 0.440 692 G N -0.251 108.530 108.800 -0.031 0.000 2.411 692 G HA2 -0.131 3.822 3.960 -0.012 0.000 0.213 692 G HA3 -0.131 3.822 3.960 -0.012 0.000 0.213 692 G C 1.656 176.537 174.900 -0.032 0.000 1.166 692 G CA 0.073 45.155 45.100 -0.030 0.000 0.802 692 G HN 0.245 nan 8.290 nan 0.000 0.533 693 K N 0.110 120.488 120.400 -0.037 0.000 2.001 693 K HA 0.097 4.410 4.320 -0.012 0.000 0.208 693 K C 0.982 177.564 176.600 -0.031 0.000 1.048 693 K CA 0.155 56.421 56.287 -0.035 0.000 0.932 693 K CB -0.475 32.002 32.500 -0.039 0.000 0.715 693 K HN 0.209 nan 8.250 nan 0.000 0.437 694 L N 2.706 123.912 121.223 -0.028 0.000 2.503 694 L HA -0.001 4.332 4.340 -0.012 0.000 0.287 694 L C -1.775 175.079 176.870 -0.027 0.000 1.252 694 L CA -1.225 53.601 54.840 -0.024 0.000 0.835 694 L CB -0.320 41.729 42.059 -0.016 0.000 1.099 694 L HN 0.070 nan 8.230 nan 0.000 0.516 695 P HA 0.094 nan 4.420 nan 0.000 0.228 695 P C 0.588 177.863 177.300 -0.042 0.000 1.748 695 P CA 0.225 63.304 63.100 -0.035 0.000 0.909 695 P CB 0.112 31.792 31.700 -0.033 0.000 1.882 696 L N -0.644 120.554 121.223 -0.041 0.000 2.062 696 L HA 0.186 4.519 4.340 -0.012 0.000 0.202 696 L C 1.707 178.534 176.870 -0.073 0.000 1.079 696 L CA 1.150 55.961 54.840 -0.050 0.000 0.755 696 L CB -0.916 41.125 42.059 -0.030 0.000 0.913 696 L HN 0.189 nan 8.230 nan 0.000 0.445 697 G N -1.321 107.435 108.800 -0.074 0.000 2.613 697 G HA2 0.270 4.223 3.960 -0.012 0.000 0.303 697 G HA3 0.270 4.223 3.960 -0.012 0.000 0.303 697 G C 0.759 175.616 174.900 -0.071 0.000 1.312 697 G CA 0.323 45.371 45.100 -0.086 0.000 1.036 697 G HN 0.214 nan 8.290 nan 0.000 0.513 698 S N -0.932 114.727 115.700 -0.069 0.000 2.436 698 S HA 0.022 4.485 4.470 -0.012 0.000 0.228 698 S C 1.117 175.692 174.600 -0.043 0.000 1.014 698 S CA -0.021 58.146 58.200 -0.055 0.000 0.950 698 S CB -0.163 63.005 63.200 -0.052 0.000 0.784 698 S HN 0.520 nan 8.310 nan 0.000 0.504 699 R N 2.825 123.300 120.500 -0.041 0.000 2.640 699 R HA 0.187 4.520 4.340 -0.012 0.000 0.270 699 R C -2.503 173.777 176.300 -0.033 0.000 1.024 699 R CA -1.151 54.930 56.100 -0.033 0.000 1.085 699 R CB -0.841 29.441 30.300 -0.029 0.000 0.963 699 R HN 0.334 nan 8.270 nan 0.000 0.426 700 P HA -0.036 nan 4.420 nan 0.000 0.267 700 P C -0.204 177.079 177.300 -0.028 0.000 1.200 700 P CA 0.110 63.193 63.100 -0.028 0.000 0.772 700 P CB 0.461 32.145 31.700 -0.026 0.000 0.855 710 E N 1.917 122.064 120.200 -0.088 0.000 2.152 710 E HA -0.117 4.226 4.350 -0.012 0.000 0.192 710 E C 2.119 178.691 176.600 -0.046 0.000 0.983 710 E CA 1.594 57.947 56.400 -0.077 0.000 0.818 710 E CB -0.006 29.667 29.700 -0.046 0.000 0.758 710 E HN 0.780 nan 8.360 nan 0.000 0.467 711 S N 0.916 116.606 115.700 -0.017 0.000 2.387 711 S HA -0.045 4.418 4.470 -0.012 0.000 0.226 711 S C 1.255 175.863 174.600 0.012 0.000 1.026 711 S CA 0.120 58.321 58.200 0.002 0.000 0.972 711 S CB -0.311 62.898 63.200 0.015 0.000 0.814 711 S HN 0.077 nan 8.310 nan 0.000 0.477 712 L N 1.642 122.880 121.223 0.025 0.000 2.483 712 L HA 0.180 4.513 4.340 -0.012 0.000 0.277 712 L C 0.472 177.370 176.870 0.046 0.000 1.248 712 L CA -0.068 54.812 54.840 0.066 0.000 0.825 712 L CB 0.324 42.463 42.059 0.135 0.000 1.096 712 L HN 0.227 nan 8.230 nan 0.000 0.512 713 R N 0.564 121.121 120.500 0.095 0.000 2.787 713 R HA 0.436 4.769 4.340 -0.012 0.000 0.271 713 R C 0.672 177.075 176.300 0.172 0.000 0.993 713 R CA 0.105 56.261 56.100 0.093 0.000 0.993 713 R CB 1.017 31.363 30.300 0.077 0.000 1.155 713 R HN 0.657 nan 8.270 nan 0.000 0.486 714 A N 2.230 125.151 122.820 0.168 0.000 1.859 714 A HA -0.227 4.086 4.320 -0.012 0.000 0.218 714 A C 1.800 179.580 177.584 0.327 0.000 1.209 714 A CA 1.936 54.131 52.037 0.263 0.000 0.639 714 A CB -0.903 18.213 19.000 0.194 0.000 0.835 714 A HN 0.631 nan 8.150 nan 0.000 0.450 715 I N 0.696 121.396 120.570 0.217 0.000 2.074 715 I HA -0.243 3.920 4.170 -0.012 0.000 0.238 715 I C -0.223 176.033 176.117 0.232 0.000 1.037 715 I CA 2.407 63.806 61.300 0.166 0.000 1.301 715 I CB -2.909 35.045 38.000 -0.077 0.000 1.016 715 I HN 0.272 nan 8.210 nan 0.000 0.400 716 P HA -0.218 nan 4.420 nan 0.000 0.218 716 P C 1.938 179.500 177.300 0.436 0.000 1.148 716 P CA 1.741 64.983 63.100 0.236 0.000 0.822 716 P CB -0.334 31.466 31.700 0.167 0.000 0.784 717 W N 0.995 122.453 121.300 0.263 0.000 2.381 717 W HA -0.147 4.507 4.660 -0.011 0.000 0.323 717 W C 2.083 178.834 176.519 0.387 0.000 1.194 717 W CA 0.610 58.153 57.345 0.330 0.000 1.296 717 W CB -0.785 28.827 29.460 0.254 0.000 1.175 717 W HN -0.235 nan 8.180 nan 0.000 0.465 718 I N 0.381 121.174 120.570 0.372 0.000 2.118 718 I HA -0.395 3.768 4.170 -0.012 0.000 0.241 718 I C 2.411 178.671 176.117 0.238 0.000 1.070 718 I CA 1.938 63.364 61.300 0.209 0.000 1.327 718 I CB -1.001 37.161 38.000 0.271 0.000 1.034 718 I HN -0.076 nan 8.210 nan 0.000 0.405 719 F N 0.829 120.851 119.950 0.120 0.000 2.091 719 F HA -0.279 4.242 4.527 -0.011 0.000 0.299 719 F C 2.567 178.406 175.800 0.065 0.000 1.103 719 F CA 1.564 59.619 58.000 0.092 0.000 1.228 719 F CB -1.017 38.039 39.000 0.094 0.000 0.984 719 F HN 0.037 nan 8.300 nan 0.000 0.477 720 A N -1.467 121.492 122.820 0.230 0.000 1.972 720 A HA -0.211 4.102 4.320 -0.012 0.000 0.219 720 A C 2.052 179.586 177.584 -0.084 0.000 1.169 720 A CA 1.412 53.471 52.037 0.037 0.000 0.635 720 A CB -1.382 17.612 19.000 -0.010 0.000 0.810 720 A HN 0.583 nan 8.150 nan 0.000 0.446 721 W N -0.255 121.034 121.300 -0.019 0.000 2.518 721 W HA -0.009 4.644 4.660 -0.012 0.000 0.273 721 W C 2.377 178.831 176.519 -0.107 0.000 1.247 721 W CA 1.164 58.440 57.345 -0.116 0.000 1.288 721 W CB -0.107 29.176 29.460 -0.295 0.000 1.107 721 W HN 0.221 nan 8.180 nan 0.000 0.586 722 T N -0.048 114.561 114.554 0.090 0.000 2.821 722 T HA -0.191 4.152 4.350 -0.012 0.000 0.267 722 T C 1.735 176.417 174.700 -0.029 0.000 1.046 722 T CA 1.057 63.152 62.100 -0.007 0.000 1.139 722 T CB -0.218 68.573 68.868 -0.129 0.000 0.871 722 T HN 0.100 nan 8.240 nan 0.000 0.454 723 Q N 1.038 120.825 119.800 -0.022 0.000 2.167 723 Q HA -0.030 4.303 4.340 -0.012 0.000 0.202 723 Q C 2.100 178.014 176.000 -0.144 0.000 0.970 723 Q CA 0.861 56.654 55.803 -0.016 0.000 0.855 723 Q CB -0.446 28.319 28.738 0.044 0.000 0.911 723 Q HN 0.637 nan 8.270 nan 0.000 0.438 724 N N 0.003 118.559 118.700 -0.240 0.000 2.409 724 N HA -0.121 4.612 4.740 -0.012 0.000 0.179 724 N C 0.057 175.337 175.510 -0.382 0.000 1.032 724 N CA 0.101 52.832 53.050 -0.532 0.000 0.898 724 N CB 0.242 38.618 38.487 -0.185 0.000 0.971 724 N HN -0.009 nan 8.380 nan 0.000 0.441 725 R N -1.091 119.330 120.500 -0.132 0.000 3.785 725 R HA -0.164 4.169 4.340 -0.012 0.000 0.476 725 R C 1.000 177.334 176.300 0.056 0.000 0.905 725 R CA 0.605 56.678 56.100 -0.044 0.000 1.412 725 R CB -2.148 28.103 30.300 -0.083 0.000 2.077 725 R HN 0.331 nan 8.270 nan 0.000 0.504 726 L N 1.110 122.421 121.223 0.147 0.000 2.313 726 L HA 0.138 4.471 4.340 -0.012 0.000 0.214 726 L C 1.025 178.092 176.870 0.328 0.000 1.119 726 L CA 1.857 56.839 54.840 0.238 0.000 0.809 726 L CB -0.123 42.110 42.059 0.290 0.000 0.933 726 L HN 0.307 nan 8.230 nan 0.000 0.449 727 M N -2.136 117.603 119.600 0.232 0.000 2.762 727 M HA -0.264 4.209 4.480 -0.012 0.000 0.190 727 M C 1.339 177.604 176.300 -0.059 0.000 0.586 727 M CA 0.800 56.202 55.300 0.170 0.000 0.620 727 M CB -2.790 29.946 32.600 0.226 0.000 2.269 727 M HN 0.394 nan 8.290 nan 0.000 0.563 728 L N 2.274 123.224 121.223 -0.455 0.000 2.026 728 L HA -0.151 4.182 4.340 -0.012 0.000 0.231 728 L C -0.505 175.666 176.870 -1.164 0.000 1.095 728 L CA 3.473 57.572 54.840 -1.234 0.000 0.810 728 L CB -2.200 38.794 42.059 -1.776 0.000 0.909 728 L HN 0.183 nan 8.230 nan 0.000 0.444 729 P HA -0.154 nan 4.420 nan 0.000 0.217 729 P C 1.293 178.382 177.300 -0.351 0.000 1.151 729 P CA 2.393 65.203 63.100 -0.483 0.000 0.849 729 P CB -0.364 31.046 31.700 -0.484 0.000 0.787 730 A N -1.787 120.855 122.820 -0.297 0.000 2.238 730 A HA 0.003 4.316 4.320 -0.012 0.000 0.208 730 A C 1.541 179.063 177.584 -0.103 0.000 1.177 730 A CA 0.381 52.334 52.037 -0.141 0.000 0.804 730 A CB -1.200 17.767 19.000 -0.056 0.000 0.823 730 A HN 0.466 nan 8.150 nan 0.000 0.482 731 W N -3.297 117.873 121.300 -0.216 0.000 3.864 731 W HA 0.216 4.869 4.660 -0.011 0.000 0.197 731 W C 0.876 177.349 176.519 -0.075 0.000 1.100 731 W CA 0.200 57.419 57.345 -0.210 0.000 1.557 731 W CB -0.704 28.544 29.460 -0.354 0.000 0.673 731 W HN 0.058 nan 8.180 nan 0.000 0.888 732 L N 2.119 122.973 121.223 -0.615 0.000 2.476 732 L HA -0.350 3.983 4.340 -0.012 0.000 0.245 732 L C 2.154 179.074 176.870 0.082 0.000 1.272 732 L CA 3.209 57.783 54.840 -0.445 0.000 0.790 732 L CB -1.370 40.482 42.059 -0.344 0.000 1.077 732 L HN 0.301 nan 8.230 nan 0.000 0.406 733 G N -2.762 106.104 108.800 0.110 0.000 2.985 733 G HA2 0.204 4.157 3.960 -0.012 0.000 0.209 733 G HA3 0.204 4.157 3.960 -0.012 0.000 0.209 733 G C 1.391 176.387 174.900 0.159 0.000 1.165 733 G CA 0.698 45.897 45.100 0.165 0.000 0.776 733 G HN 0.718 nan 8.290 nan 0.000 0.541 734 A N 1.283 124.195 122.820 0.154 0.000 1.851 734 A HA 0.084 4.397 4.320 -0.012 0.000 0.216 734 A C 2.673 180.351 177.584 0.156 0.000 1.195 734 A CA 2.195 54.314 52.037 0.136 0.000 0.622 734 A CB -1.141 17.919 19.000 0.100 0.000 0.831 734 A HN 0.467 nan 8.150 nan 0.000 0.444 735 G N -1.290 107.638 108.800 0.214 0.000 2.418 735 G HA2 -0.155 3.798 3.960 -0.012 0.000 0.217 735 G HA3 -0.155 3.798 3.960 -0.012 0.000 0.217 735 G C 1.573 176.550 174.900 0.129 0.000 1.158 735 G CA 1.730 46.932 45.100 0.170 0.000 0.771 735 G HN 0.457 nan 8.290 nan 0.000 0.545 736 T N 1.767 116.412 114.554 0.152 0.000 2.720 736 T HA -0.073 4.270 4.350 -0.012 0.000 0.268 736 T C 2.754 177.516 174.700 0.103 0.000 1.037 736 T CA 1.691 63.866 62.100 0.125 0.000 1.144 736 T CB -0.372 68.588 68.868 0.154 0.000 0.864 736 T HN 0.386 nan 8.240 nan 0.000 0.444 737 A N 0.768 123.654 122.820 0.109 0.000 1.968 737 A HA 0.160 4.473 4.320 -0.012 0.000 0.217 737 A C 2.318 179.953 177.584 0.085 0.000 1.169 737 A CA 0.829 52.922 52.037 0.094 0.000 0.638 737 A CB -0.702 18.359 19.000 0.101 0.000 0.812 737 A HN 0.454 nan 8.150 nan 0.000 0.446 738 L N -0.309 120.971 121.223 0.095 0.000 2.093 738 L HA -0.238 4.095 4.340 -0.012 0.000 0.208 738 L C 3.001 179.910 176.870 0.066 0.000 1.085 738 L CA 1.783 56.678 54.840 0.092 0.000 0.755 738 L CB -0.415 41.707 42.059 0.104 0.000 0.904 738 L HN 0.751 nan 8.230 nan 0.000 0.435 739 Q N 0.583 120.417 119.800 0.057 0.000 2.119 739 Q HA -0.281 4.053 4.340 -0.012 0.000 0.201 739 Q C 2.087 178.109 176.000 0.036 0.000 0.972 739 Q CA 1.783 57.609 55.803 0.038 0.000 0.847 739 Q CB -0.119 28.637 28.738 0.029 0.000 0.903 739 Q HN 0.287 nan 8.270 nan 0.000 0.433 740 K N 0.283 120.710 120.400 0.044 0.000 2.097 740 K HA -0.071 4.242 4.320 -0.012 0.000 0.205 740 K C 1.819 178.439 176.600 0.035 0.000 1.050 740 K CA 1.309 57.620 56.287 0.040 0.000 0.938 740 K CB -0.018 32.510 32.500 0.047 0.000 0.718 740 K HN 0.145 nan 8.250 nan 0.000 0.442 741 V N 0.108 120.045 119.914 0.039 0.000 2.667 741 V HA -0.143 3.970 4.120 -0.012 0.000 0.252 741 V C 2.085 178.194 176.094 0.025 0.000 1.065 741 V CA 1.098 63.416 62.300 0.030 0.000 1.083 741 V CB 0.225 32.067 31.823 0.032 0.000 0.692 741 V HN 0.178 nan 8.190 nan 0.000 0.468 742 V N 0.069 120.000 119.914 0.028 0.000 2.358 742 V HA -0.218 3.895 4.120 -0.012 0.000 0.246 742 V C 2.210 178.314 176.094 0.016 0.000 1.047 742 V CA 1.842 64.155 62.300 0.021 0.000 1.035 742 V CB -0.441 31.395 31.823 0.021 0.000 0.658 742 V HN 0.626 nan 8.190 nan 0.000 0.452 743 E N -0.191 120.019 120.200 0.018 0.000 2.533 743 E HA -0.150 4.193 4.350 -0.012 0.000 0.201 743 E C 0.545 177.154 176.600 0.015 0.000 1.097 743 E CA 0.583 56.993 56.400 0.015 0.000 0.887 743 E CB -0.039 29.671 29.700 0.017 0.000 0.855 743 E HN 0.625 nan 8.360 nan 0.000 0.540 744 D N -0.835 119.574 120.400 0.015 0.000 2.431 744 D HA 0.108 4.741 4.640 -0.012 0.000 0.213 744 D C 1.021 177.328 176.300 0.012 0.000 1.130 744 D CA 0.380 54.389 54.000 0.014 0.000 0.834 744 D CB 1.019 41.828 40.800 0.015 0.000 0.985 744 D HN 0.209 nan 8.370 nan 0.000 0.504 745 G N 1.744 110.551 108.800 0.012 0.000 2.148 745 G HA2 -0.320 3.634 3.960 -0.012 0.000 0.254 745 G HA3 -0.320 3.634 3.960 -0.012 0.000 0.254 745 G C 0.916 175.824 174.900 0.012 0.000 0.981 745 G CA 0.091 45.198 45.100 0.011 0.000 0.670 745 G HN 0.316 nan 8.290 nan 0.000 0.528 746 K N 0.016 120.423 120.400 0.012 0.000 2.476 746 K HA 0.149 4.462 4.320 -0.012 0.000 0.196 746 K C 1.805 178.410 176.600 0.008 0.000 1.025 746 K CA 0.399 56.693 56.287 0.012 0.000 1.138 746 K CB 0.273 32.779 32.500 0.009 0.000 0.860 746 K HN 0.607 nan 8.250 nan 0.000 0.515 747 Q N 1.571 121.378 119.800 0.011 0.000 2.197 747 Q HA -0.174 4.159 4.340 -0.012 0.000 0.207 747 Q C 1.749 177.756 176.000 0.011 0.000 0.984 747 Q CA 2.114 57.925 55.803 0.013 0.000 0.869 747 Q CB 0.060 28.806 28.738 0.013 0.000 0.906 747 Q HN 0.371 nan 8.270 nan 0.000 0.426 748 S N -0.811 114.897 115.700 0.014 0.000 2.489 748 S HA -0.026 4.437 4.470 -0.012 0.000 0.228 748 S C 1.485 176.098 174.600 0.022 0.000 0.995 748 S CA 0.455 58.667 58.200 0.019 0.000 0.934 748 S CB 0.111 63.326 63.200 0.025 0.000 0.771 748 S HN 0.333 nan 8.310 nan 0.000 0.522 749 E N 1.219 121.429 120.200 0.016 0.000 2.190 749 E HA 0.151 4.494 4.350 -0.012 0.000 0.191 749 E C 1.967 178.503 176.600 -0.107 0.000 0.978 749 E CA 0.390 56.806 56.400 0.027 0.000 0.839 749 E CB -0.185 29.557 29.700 0.070 0.000 0.787 749 E HN 0.524 nan 8.360 nan 0.000 0.473 750 L N 0.924 122.089 121.223 -0.097 0.000 2.083 750 L HA -0.181 4.152 4.340 -0.012 0.000 0.209 750 L C 2.231 179.063 176.870 -0.063 0.000 1.083 750 L CA 1.244 56.002 54.840 -0.136 0.000 0.752 750 L CB -0.293 41.764 42.059 -0.003 0.000 0.899 750 L HN 0.092 nan 8.230 nan 0.000 0.433 751 E N -0.135 120.055 120.200 -0.018 0.000 2.208 751 E HA -0.141 4.202 4.350 -0.012 0.000 0.193 751 E C 2.223 178.812 176.600 -0.019 0.000 0.988 751 E CA 0.908 57.314 56.400 0.009 0.000 0.828 751 E CB -0.018 29.692 29.700 0.018 0.000 0.763 751 E HN 0.488 nan 8.360 nan 0.000 0.478 752 A N 0.615 123.402 122.820 -0.055 0.000 1.970 752 A HA -0.078 4.235 4.320 -0.012 0.000 0.216 752 A C 2.050 179.478 177.584 -0.260 0.000 1.170 752 A CA 0.700 52.716 52.037 -0.036 0.000 0.645 752 A CB -0.237 18.832 19.000 0.114 0.000 0.816 752 A HN 0.116 nan 8.150 nan 0.000 0.447 753 M N -1.130 118.121 119.600 -0.581 0.000 2.086 753 M HA -0.184 4.289 4.480 -0.012 0.000 0.261 753 M C 2.383 178.548 176.300 -0.225 0.000 1.067 753 M CA 1.766 56.473 55.300 -0.989 0.000 1.116 753 M CB -0.400 31.494 32.600 -1.177 0.000 1.348 753 M HN 0.639 nan 8.290 nan 0.000 0.407 754 C N 0.224 119.560 119.300 0.060 0.000 2.446 754 C HA -0.114 4.340 4.460 -0.012 0.000 0.277 754 C C 2.768 177.793 174.990 0.060 0.000 1.275 754 C CA 1.104 60.238 59.018 0.193 0.000 1.727 754 C CB -0.840 26.998 27.740 0.164 0.000 2.010 754 C HN 0.457 nan 8.230 nan 0.000 0.486 755 R N 0.125 120.640 120.500 0.024 0.000 2.062 755 R HA -0.059 4.274 4.340 -0.012 0.000 0.229 755 R C 1.468 177.809 176.300 0.067 0.000 1.128 755 R CA 1.686 57.810 56.100 0.041 0.000 0.960 755 R CB -0.253 30.073 30.300 0.044 0.000 0.855 755 R HN 0.609 nan 8.270 nan 0.000 0.432 756 D N -1.903 118.532 120.400 0.058 0.000 2.379 756 D HA -0.031 4.602 4.640 -0.012 0.000 0.208 756 D C -0.527 175.926 176.300 0.255 0.000 1.065 756 D CA 0.251 54.345 54.000 0.157 0.000 0.848 756 D CB 0.381 41.347 40.800 0.278 0.000 0.949 756 D HN 0.107 nan 8.370 nan 0.000 0.509 757 W N 2.216 123.458 121.300 -0.096 0.000 2.393 757 W HA 0.328 4.981 4.660 -0.012 0.000 0.315 757 W C -2.229 174.350 176.519 0.101 0.000 1.009 757 W CA -2.982 54.377 57.345 0.023 0.000 1.313 757 W CB 1.437 30.799 29.460 -0.162 0.000 1.269 757 W HN -0.215 nan 8.180 nan 0.000 0.420 758 P HA -0.288 nan 4.420 nan 0.000 0.216 758 P C 1.761 178.972 177.300 -0.148 0.000 1.157 758 P CA 1.838 64.961 63.100 0.038 0.000 0.880 758 P CB -0.212 31.559 31.700 0.117 0.000 0.791 759 F N -0.527 119.134 119.950 -0.482 0.000 2.085 759 F HA -0.280 4.240 4.527 -0.011 0.000 0.299 759 F C 2.095 177.558 175.800 -0.560 0.000 1.096 759 F CA 1.644 59.275 58.000 -0.616 0.000 1.227 759 F CB -1.085 37.203 39.000 -1.186 0.000 0.983 759 F HN -0.188 nan 8.300 nan 0.000 0.482 760 F N 1.103 120.527 119.950 -0.877 0.000 2.163 760 F HA -0.076 4.444 4.527 -0.012 0.000 0.297 760 F C 2.739 178.276 175.800 -0.438 0.000 1.094 760 F CA 1.471 59.074 58.000 -0.663 0.000 1.290 760 F CB -0.836 37.977 39.000 -0.313 0.000 1.017 760 F HN 0.115 nan 8.300 nan 0.000 0.483 761 S N -1.420 114.113 115.700 -0.278 0.000 2.355 761 S HA -0.197 4.266 4.470 -0.012 0.000 0.222 761 S C 2.053 176.444 174.600 -0.349 0.000 1.031 761 S CA 1.602 59.638 58.200 -0.273 0.000 0.993 761 S CB -1.260 61.871 63.200 -0.114 0.000 0.859 761 S HN 0.371 nan 8.310 nan 0.000 0.453 762 T N 2.211 116.568 114.554 -0.328 0.000 2.624 762 T HA -0.172 4.171 4.350 -0.012 0.000 0.268 762 T C 1.962 176.411 174.700 -0.419 0.000 1.041 762 T CA 2.058 63.968 62.100 -0.317 0.000 1.159 762 T CB -0.406 68.293 68.868 -0.282 0.000 0.863 762 T HN 0.429 nan 8.240 nan 0.000 0.434 763 R N 0.732 120.852 120.500 -0.633 0.000 2.091 763 R HA 0.020 4.354 4.340 -0.012 0.000 0.238 763 R C 2.242 178.235 176.300 -0.512 0.000 1.136 763 R CA 1.329 57.053 56.100 -0.628 0.000 0.959 763 R CB -0.860 28.910 30.300 -0.882 0.000 0.856 763 R HN 0.308 nan 8.270 nan 0.000 0.437 764 L N -0.405 120.457 121.223 -0.601 0.000 2.109 764 L HA 0.043 4.376 4.340 -0.012 0.000 0.207 764 L C 2.136 178.840 176.870 -0.277 0.000 1.086 764 L CA 1.856 56.427 54.840 -0.449 0.000 0.760 764 L CB -1.488 40.258 42.059 -0.521 0.000 0.910 764 L HN 0.515 nan 8.230 nan 0.000 0.437 765 G N 0.138 108.780 108.800 -0.263 0.000 2.545 765 G HA2 -0.418 3.535 3.960 -0.012 0.000 0.217 765 G HA3 -0.418 3.535 3.960 -0.012 0.000 0.217 765 G C 1.557 176.353 174.900 -0.173 0.000 1.218 765 G CA 1.256 46.248 45.100 -0.181 0.000 0.787 765 G HN 0.279 nan 8.290 nan 0.000 0.571 766 M N 0.096 119.575 119.600 -0.202 0.000 2.146 766 M HA -0.075 4.398 4.480 -0.012 0.000 0.256 766 M C 2.167 178.337 176.300 -0.217 0.000 1.075 766 M CA 1.241 56.424 55.300 -0.194 0.000 1.082 766 M CB -0.286 32.188 32.600 -0.210 0.000 1.355 766 M HN 0.130 nan 8.290 nan 0.000 0.402 767 L N -0.399 120.673 121.223 -0.252 0.000 2.093 767 L HA -0.154 4.179 4.340 -0.012 0.000 0.208 767 L C 2.273 178.907 176.870 -0.394 0.000 1.085 767 L CA 1.748 56.343 54.840 -0.409 0.000 0.755 767 L CB -1.557 40.297 42.059 -0.342 0.000 0.904 767 L HN 0.466 nan 8.230 nan 0.000 0.435 768 E N -0.518 119.609 120.200 -0.121 0.000 2.058 768 E HA -0.291 4.052 4.350 -0.012 0.000 0.194 768 E C 2.149 178.727 176.600 -0.036 0.000 0.997 768 E CA 1.327 57.736 56.400 0.014 0.000 0.801 768 E CB -0.160 29.532 29.700 -0.013 0.000 0.746 768 E HN 0.358 nan 8.360 nan 0.000 0.450 769 M N 1.143 120.683 119.600 -0.100 0.000 2.080 769 M HA -0.157 4.316 4.480 -0.012 0.000 0.260 769 M C 2.266 178.500 176.300 -0.110 0.000 1.068 769 M CA 1.429 56.668 55.300 -0.102 0.000 1.109 769 M CB -0.199 32.332 32.600 -0.115 0.000 1.342 769 M HN 0.003 nan 8.290 nan 0.000 0.405 770 V N 0.976 120.787 119.914 -0.172 0.000 2.332 770 V HA -0.290 3.823 4.120 -0.012 0.000 0.248 770 V C 2.257 178.274 176.094 -0.129 0.000 1.055 770 V CA 1.857 64.052 62.300 -0.176 0.000 1.038 770 V CB -1.066 30.610 31.823 -0.246 0.000 0.651 770 V HN 0.346 nan 8.190 nan 0.000 0.450 771 F N 0.785 120.663 119.950 -0.121 0.000 2.234 771 F HA -0.031 4.489 4.527 -0.011 0.000 0.299 771 F C 2.410 178.125 175.800 -0.141 0.000 1.087 771 F CA 0.807 58.695 58.000 -0.187 0.000 1.340 771 F CB -1.310 37.558 39.000 -0.221 0.000 1.031 771 F HN 0.102 nan 8.300 nan 0.000 0.500 772 A N 0.028 122.880 122.820 0.054 0.000 1.933 772 A HA -0.197 4.116 4.320 -0.012 0.000 0.218 772 A C 2.169 179.735 177.584 -0.031 0.000 1.175 772 A CA 1.692 53.724 52.037 -0.008 0.000 0.628 772 A CB -0.533 18.443 19.000 -0.041 0.000 0.814 772 A HN 0.382 nan 8.150 nan 0.000 0.444 773 K N -0.396 119.982 120.400 -0.037 0.000 2.284 773 K HA 0.353 4.666 4.320 -0.012 0.000 0.198 773 K C 1.012 177.601 176.600 -0.017 0.000 1.048 773 K CA 0.328 56.589 56.287 -0.043 0.000 0.987 773 K CB -0.133 32.329 32.500 -0.063 0.000 0.800 773 K HN 0.419 nan 8.250 nan 0.000 0.486 774 A N 2.080 124.903 122.820 0.005 0.000 2.475 774 A HA -0.002 4.311 4.320 -0.012 0.000 0.239 774 A C -0.133 177.459 177.584 0.014 0.000 1.087 774 A CA 0.405 52.457 52.037 0.026 0.000 0.779 774 A CB 0.181 19.208 19.000 0.046 0.000 1.036 774 A HN 0.234 nan 8.150 nan 0.000 0.506 775 D N 1.182 121.596 120.400 0.024 0.000 2.354 775 D HA 0.235 4.868 4.640 -0.012 0.000 0.230 775 D C 0.392 176.724 176.300 0.052 0.000 1.361 775 D CA -0.373 53.651 54.000 0.040 0.000 0.992 775 D CB 0.574 41.406 40.800 0.053 0.000 1.409 775 D HN 0.349 nan 8.370 nan 0.000 0.573 776 L N 2.383 123.636 121.223 0.050 0.000 2.376 776 L HA 0.027 4.361 4.340 -0.012 0.000 0.219 776 L C 2.298 179.218 176.870 0.083 0.000 1.133 776 L CA 0.383 55.250 54.840 0.046 0.000 0.816 776 L CB -0.181 41.886 42.059 0.013 0.000 0.933 776 L HN 0.513 nan 8.230 nan 0.000 0.449 777 W N 1.314 122.603 121.300 -0.018 0.000 2.409 777 W HA -0.105 4.548 4.660 -0.011 0.000 0.299 777 W C 1.795 178.341 176.519 0.045 0.000 1.203 777 W CA 0.845 58.185 57.345 -0.008 0.000 1.298 777 W CB -0.242 29.194 29.460 -0.040 0.000 1.127 777 W HN 0.098 nan 8.180 nan 0.000 0.528 778 L N 1.610 122.765 121.223 -0.113 0.000 2.027 778 L HA -0.148 4.185 4.340 -0.012 0.000 0.206 778 L C 3.077 179.918 176.870 -0.048 0.000 1.074 778 L CA 1.602 56.377 54.840 -0.109 0.000 0.745 778 L CB -1.412 40.687 42.059 0.067 0.000 0.898 778 L HN -0.048 nan 8.230 nan 0.000 0.433 779 A N -0.144 122.634 122.820 -0.070 0.000 1.896 779 A HA -0.329 3.984 4.320 -0.012 0.000 0.220 779 A C 2.260 179.828 177.584 -0.027 0.000 1.206 779 A CA 2.318 54.322 52.037 -0.055 0.000 0.647 779 A CB -0.734 18.283 19.000 0.029 0.000 0.828 779 A HN 0.479 nan 8.150 nan 0.000 0.455 780 E N -2.035 118.112 120.200 -0.087 0.000 2.268 780 E HA -0.200 4.143 4.350 -0.012 0.000 0.195 780 E C 1.718 178.177 176.600 -0.235 0.000 0.995 780 E CA 1.164 57.468 56.400 -0.162 0.000 0.836 780 E CB -0.181 29.406 29.700 -0.188 0.000 0.763 780 E HN 0.800 nan 8.360 nan 0.000 0.491 781 Y N -0.263 119.803 120.300 -0.391 0.000 2.263 781 Y HA -0.233 4.310 4.550 -0.012 0.000 0.292 781 Y C 1.537 177.361 175.900 -0.127 0.000 1.130 781 Y CA 1.441 59.306 58.100 -0.391 0.000 1.179 781 Y CB -0.351 37.791 38.460 -0.529 0.000 0.998 781 Y HN 0.043 nan 8.280 nan 0.000 0.532 782 Y N 0.656 120.765 120.300 -0.317 0.000 2.242 782 Y HA -0.153 4.390 4.550 -0.012 0.000 0.291 782 Y C 2.184 177.940 175.900 -0.239 0.000 1.137 782 Y CA 1.537 59.455 58.100 -0.304 0.000 1.181 782 Y CB -0.824 37.547 38.460 -0.148 0.000 0.989 782 Y HN 0.178 nan 8.280 nan 0.000 0.527 783 D N -0.504 119.882 120.400 -0.023 0.000 2.117 783 D HA -0.166 4.467 4.640 -0.012 0.000 0.197 783 D C 2.049 178.310 176.300 -0.064 0.000 0.987 783 D CA 1.296 55.289 54.000 -0.011 0.000 0.829 783 D CB -0.256 40.496 40.800 -0.080 0.000 0.961 783 D HN 0.364 nan 8.370 nan 0.000 0.460 784 Q N -0.484 119.134 119.800 -0.304 0.000 2.170 784 Q HA -0.059 4.275 4.340 -0.012 0.000 0.203 784 Q C 1.837 177.780 176.000 -0.096 0.000 0.976 784 Q CA 0.872 56.510 55.803 -0.276 0.000 0.858 784 Q CB 0.281 28.790 28.738 -0.382 0.000 0.907 784 Q HN 0.137 nan 8.270 nan 0.000 0.433 785 R N -0.569 119.773 120.500 -0.263 0.000 2.146 785 R HA 0.121 4.454 4.340 -0.012 0.000 0.206 785 R C 1.879 178.096 176.300 -0.138 0.000 1.049 785 R CA 0.651 56.573 56.100 -0.296 0.000 1.029 785 R CB 0.177 30.142 30.300 -0.558 0.000 0.949 785 R HN 0.260 nan 8.270 nan 0.000 0.471 786 L N 0.227 121.398 121.223 -0.087 0.000 2.575 786 L HA 0.246 4.579 4.340 -0.012 0.000 0.228 786 L C 0.331 177.235 176.870 0.057 0.000 1.075 786 L CA 0.041 54.872 54.840 -0.014 0.000 0.867 786 L CB 0.499 42.515 42.059 -0.073 0.000 1.097 786 L HN -0.240 nan 8.230 nan 0.000 0.485 787 V N 0.340 120.351 119.914 0.162 0.000 2.539 787 V HA 0.142 4.255 4.120 -0.012 0.000 0.292 787 V C -0.449 175.795 176.094 0.249 0.000 1.045 787 V CA -0.848 61.591 62.300 0.230 0.000 0.945 787 V CB 1.880 33.913 31.823 0.350 0.000 0.993 787 V HN 0.130 nan 8.190 nan 0.000 0.464 788 D N 2.544 122.993 120.400 0.082 0.000 2.382 788 D HA 0.096 4.729 4.640 -0.012 0.000 0.245 788 D C 1.159 177.248 176.300 -0.352 0.000 1.120 788 D CA -0.070 53.875 54.000 -0.092 0.000 0.890 788 D CB 0.848 41.613 40.800 -0.059 0.000 1.201 788 D HN 0.518 nan 8.370 nan 0.000 0.433 789 K N 2.387 122.343 120.400 -0.740 0.000 2.144 789 K HA -0.284 4.029 4.320 -0.012 0.000 0.209 789 K C 1.783 178.036 176.600 -0.579 0.000 1.047 789 K CA 1.597 57.151 56.287 -1.222 0.000 0.927 789 K CB -0.173 31.771 32.500 -0.928 0.000 0.716 789 K HN 0.598 nan 8.250 nan 0.000 0.454 790 A N 0.374 123.033 122.820 -0.270 0.000 2.067 790 A HA -0.075 4.238 4.320 -0.012 0.000 0.219 790 A C 1.756 179.347 177.584 0.012 0.000 1.158 790 A CA 1.026 53.006 52.037 -0.095 0.000 0.661 790 A CB -0.238 18.730 19.000 -0.052 0.000 0.801 790 A HN 0.231 nan 8.150 nan 0.000 0.452 791 L N -2.277 118.989 121.223 0.071 0.000 2.567 791 L HA -0.016 4.317 4.340 -0.012 0.000 0.225 791 L C 1.931 178.997 176.870 0.327 0.000 1.119 791 L CA -0.253 54.718 54.840 0.219 0.000 0.871 791 L CB -0.362 41.907 42.059 0.351 0.000 1.036 791 L HN 0.483 nan 8.230 nan 0.000 0.459 792 W N 1.336 122.698 121.300 0.103 0.000 2.318 792 W HA -0.093 4.560 4.660 -0.012 0.000 0.313 792 W C -0.198 176.343 176.519 0.037 0.000 1.221 792 W CA 0.915 58.313 57.345 0.087 0.000 1.266 792 W CB -2.309 27.192 29.460 0.068 0.000 1.150 792 W HN 0.132 nan 8.180 nan 0.000 0.496 793 P HA -0.212 nan 4.420 nan 0.000 0.216 793 P C 2.218 179.561 177.300 0.070 0.000 1.153 793 P CA 1.752 64.934 63.100 0.137 0.000 0.858 793 P CB -0.341 31.424 31.700 0.107 0.000 0.789 794 L N -1.134 120.095 121.223 0.011 0.000 2.046 794 L HA -0.117 4.216 4.340 -0.012 0.000 0.208 794 L C 2.303 179.054 176.870 -0.198 0.000 1.077 794 L CA 2.013 56.797 54.840 -0.094 0.000 0.747 794 L CB -1.291 40.635 42.059 -0.222 0.000 0.896 794 L HN 0.081 nan 8.230 nan 0.000 0.432 795 G N 0.463 109.131 108.800 -0.220 0.000 2.511 795 G HA2 -0.313 3.640 3.960 -0.012 0.000 0.216 795 G HA3 -0.313 3.640 3.960 -0.012 0.000 0.216 795 G C 1.486 176.404 174.900 0.029 0.000 1.218 795 G CA 1.064 46.142 45.100 -0.038 0.000 0.788 795 G HN 0.413 nan 8.290 nan 0.000 0.560 796 K N 0.566 120.991 120.400 0.042 0.000 2.044 796 K HA -0.136 4.177 4.320 -0.012 0.000 0.210 796 K C 2.274 178.894 176.600 0.033 0.000 1.049 796 K CA 1.448 57.755 56.287 0.035 0.000 0.927 796 K CB -0.365 32.160 32.500 0.040 0.000 0.713 796 K HN 0.483 nan 8.250 nan 0.000 0.443 797 E N 1.403 121.627 120.200 0.040 0.000 2.065 797 E HA -0.221 4.122 4.350 -0.012 0.000 0.201 797 E C 2.091 178.710 176.600 0.032 0.000 1.016 797 E CA 1.358 57.791 56.400 0.054 0.000 0.818 797 E CB -0.089 29.668 29.700 0.095 0.000 0.749 797 E HN 0.282 nan 8.360 nan 0.000 0.453 798 L N -0.039 121.180 121.223 -0.007 0.000 2.141 798 L HA -0.151 4.182 4.340 -0.012 0.000 0.209 798 L C 2.814 179.748 176.870 0.107 0.000 1.094 798 L CA 0.977 55.815 54.840 -0.003 0.000 0.763 798 L CB -0.241 41.790 42.059 -0.047 0.000 0.908 798 L HN 0.089 nan 8.230 nan 0.000 0.437 799 R N -0.165 120.374 120.500 0.065 0.000 2.075 799 R HA -0.166 4.167 4.340 -0.012 0.000 0.232 799 R C 2.086 178.364 176.300 -0.036 0.000 1.126 799 R CA 1.674 57.790 56.100 0.027 0.000 0.963 799 R CB -0.233 30.082 30.300 0.025 0.000 0.858 799 R HN 0.291 nan 8.270 nan 0.000 0.435 800 N N 0.307 118.998 118.700 -0.016 0.000 2.309 800 N HA -0.111 4.622 4.740 -0.012 0.000 0.182 800 N C 1.605 177.087 175.510 -0.047 0.000 1.018 800 N CA 0.565 53.594 53.050 -0.035 0.000 0.876 800 N CB -0.026 38.456 38.487 -0.008 0.000 0.972 800 N HN 0.094 nan 8.380 nan 0.000 0.434 801 L N 0.743 121.964 121.223 -0.004 0.000 2.012 801 L HA -0.189 4.144 4.340 -0.012 0.000 0.210 801 L C 2.222 179.033 176.870 -0.099 0.000 1.073 801 L CA 1.788 56.648 54.840 0.033 0.000 0.748 801 L CB -0.953 41.194 42.059 0.147 0.000 0.891 801 L HN 0.493 nan 8.230 nan 0.000 0.431 802 Q N -0.381 119.250 119.800 -0.282 0.000 2.079 802 Q HA -0.223 4.110 4.340 -0.012 0.000 0.200 802 Q C 1.942 177.609 176.000 -0.555 0.000 0.974 802 Q CA 1.564 56.960 55.803 -0.678 0.000 0.840 802 Q CB 0.092 28.288 28.738 -0.904 0.000 0.898 802 Q HN 0.523 nan 8.270 nan 0.000 0.430 803 E N 0.221 120.213 120.200 -0.347 0.000 2.070 803 E HA -0.250 4.093 4.350 -0.012 0.000 0.197 803 E C 1.918 178.347 176.600 -0.285 0.000 1.004 803 E CA 1.404 57.629 56.400 -0.292 0.000 0.805 803 E CB -0.019 29.576 29.700 -0.175 0.000 0.744 803 E HN 0.289 nan 8.360 nan 0.000 0.451 804 E N 0.634 120.708 120.200 -0.210 0.000 2.150 804 E HA -0.156 4.187 4.350 -0.012 0.000 0.193 804 E C 1.409 177.893 176.600 -0.193 0.000 0.985 804 E CA 1.026 57.330 56.400 -0.159 0.000 0.814 804 E CB 0.034 29.685 29.700 -0.081 0.000 0.752 804 E HN 0.157 nan 8.360 nan 0.000 0.466 805 D N -0.651 119.587 120.400 -0.271 0.000 2.183 805 D HA -0.062 4.571 4.640 -0.012 0.000 0.203 805 D C 1.699 177.719 176.300 -0.467 0.000 0.969 805 D CA 0.607 54.450 54.000 -0.263 0.000 0.842 805 D CB -0.005 40.700 40.800 -0.157 0.000 0.957 805 D HN 0.250 nan 8.370 nan 0.000 0.484 806 I N 0.842 120.955 120.570 -0.762 0.000 2.252 806 I HA -0.226 3.937 4.170 -0.012 0.000 0.245 806 I C 2.200 178.119 176.117 -0.330 0.000 1.102 806 I CA 0.932 61.808 61.300 -0.707 0.000 1.385 806 I CB -0.073 37.505 38.000 -0.705 0.000 1.064 806 I HN -0.055 nan 8.210 nan 0.000 0.414 807 K N 0.705 120.948 120.400 -0.262 0.000 1.987 807 K HA -0.175 4.138 4.320 -0.012 0.000 0.216 807 K C 2.085 178.616 176.600 -0.115 0.000 1.051 807 K CA 1.881 58.070 56.287 -0.164 0.000 0.942 807 K CB -0.819 31.600 32.500 -0.135 0.000 0.722 807 K HN 0.167 nan 8.250 nan 0.000 0.444 808 V N 1.739 121.597 119.914 -0.094 0.000 2.317 808 V HA -0.245 3.868 4.120 -0.012 0.000 0.251 808 V C 2.522 178.598 176.094 -0.030 0.000 1.065 808 V CA 1.791 64.064 62.300 -0.044 0.000 1.049 808 V CB -0.751 31.062 31.823 -0.018 0.000 0.651 808 V HN 0.098 nan 8.190 nan 0.000 0.450 809 V N -0.499 119.391 119.914 -0.040 0.000 2.307 809 V HA -0.207 3.906 4.120 -0.012 0.000 0.245 809 V C 2.340 178.413 176.094 -0.034 0.000 1.045 809 V CA 1.906 64.200 62.300 -0.011 0.000 1.024 809 V CB -0.463 31.394 31.823 0.057 0.000 0.651 809 V HN 0.429 nan 8.190 nan 0.000 0.449 810 L N -0.103 121.080 121.223 -0.066 0.000 2.046 810 L HA -0.180 4.153 4.340 -0.012 0.000 0.208 810 L C 2.744 179.583 176.870 -0.051 0.000 1.077 810 L CA 1.607 56.406 54.840 -0.069 0.000 0.747 810 L CB -0.784 41.211 42.059 -0.105 0.000 0.896 810 L HN 0.378 nan 8.230 nan 0.000 0.432 811 A N 0.481 123.271 122.820 -0.050 0.000 1.851 811 A HA -0.232 4.081 4.320 -0.012 0.000 0.216 811 A C 2.175 179.751 177.584 -0.013 0.000 1.195 811 A CA 1.821 53.839 52.037 -0.032 0.000 0.622 811 A CB -0.814 18.169 19.000 -0.029 0.000 0.831 811 A HN 0.344 nan 8.150 nan 0.000 0.444 812 I N -0.243 120.326 120.570 -0.002 0.000 2.264 812 I HA -0.296 3.867 4.170 -0.012 0.000 0.248 812 I C 2.708 178.832 176.117 0.011 0.000 1.111 812 I CA 1.174 62.486 61.300 0.020 0.000 1.382 812 I CB -0.155 37.875 38.000 0.051 0.000 1.060 812 I HN 0.369 nan 8.210 nan 0.000 0.418 813 A N -0.382 122.434 122.820 -0.008 0.000 2.169 813 A HA -0.060 4.253 4.320 -0.012 0.000 0.212 813 A C 0.909 178.488 177.584 -0.008 0.000 1.153 813 A CA 0.386 52.416 52.037 -0.013 0.000 0.756 813 A CB -0.294 18.689 19.000 -0.028 0.000 0.813 813 A HN 0.555 nan 8.150 nan 0.000 0.471 814 N N 0.158 118.852 118.700 -0.009 0.000 2.756 814 N HA -0.120 4.613 4.740 -0.012 0.000 0.248 814 N C -1.003 174.503 175.510 -0.006 0.000 1.062 814 N CA 1.260 54.306 53.050 -0.007 0.000 0.696 814 N CB -0.890 37.599 38.487 0.003 0.000 0.946 814 N HN 0.682 nan 8.380 nan 0.000 0.548 815 D N -2.393 117.995 120.400 -0.020 0.000 2.643 815 D HA 0.472 5.105 4.640 -0.012 0.000 0.283 815 D C 0.154 176.415 176.300 -0.066 0.000 1.242 815 D CA 0.073 54.064 54.000 -0.015 0.000 0.863 815 D CB 0.910 41.716 40.800 0.011 0.000 1.382 815 D HN 0.002 nan 8.370 nan 0.000 0.444 816 S N -1.020 114.617 115.700 -0.105 0.000 2.666 816 S HA 0.155 4.618 4.470 -0.012 0.000 0.239 816 S C 0.744 175.017 174.600 -0.546 0.000 1.031 816 S CA -0.072 57.944 58.200 -0.307 0.000 1.015 816 S CB 0.297 63.272 63.200 -0.374 0.000 0.981 816 S HN 0.426 nan 8.310 nan 0.000 0.547 817 H N 0.558 119.607 119.070 -0.036 0.000 2.393 817 H HA 0.664 5.213 4.556 -0.012 0.000 0.307 817 H C -0.663 174.639 175.328 -0.043 0.000 1.038 817 H CA 0.249 56.274 56.048 -0.038 0.000 1.351 817 H CB 0.424 30.170 29.762 -0.027 0.000 1.464 817 H HN 0.146 nan 8.280 nan 0.000 0.575 818 L N 0.944 122.196 121.223 0.047 0.000 5.710 818 L HA -0.101 4.232 4.340 -0.012 0.000 0.253 818 L C -0.590 176.289 176.870 0.016 0.000 1.230 818 L CA 0.435 55.282 54.840 0.013 0.000 0.673 818 L CB -0.882 41.176 42.059 -0.001 0.000 1.416 818 L HN 0.570 nan 8.230 nan 0.000 0.267 819 M N 2.662 122.262 119.600 -0.000 0.000 2.303 819 M HA -0.218 4.255 4.480 -0.012 0.000 0.189 819 M C 0.777 177.079 176.300 0.002 0.000 0.688 819 M CA 1.706 56.998 55.300 -0.014 0.000 0.479 819 M CB -1.645 30.933 32.600 -0.036 0.000 1.094 819 M HN 1.223 nan 8.290 nan 0.000 0.907 820 A N 0.273 123.104 122.820 0.020 0.000 2.123 820 A HA 0.031 4.344 4.320 -0.012 0.000 0.214 820 A C 1.145 178.744 177.584 0.025 0.000 1.152 820 A CA 1.427 53.485 52.037 0.034 0.000 0.728 820 A CB -0.197 18.837 19.000 0.057 0.000 0.814 820 A HN 0.857 nan 8.150 nan 0.000 0.464 821 D N -0.565 119.843 120.400 0.014 0.000 2.355 821 D HA 0.164 4.797 4.640 -0.012 0.000 0.218 821 D C 0.013 176.326 176.300 0.023 0.000 1.004 821 D CA 0.475 54.485 54.000 0.016 0.000 0.880 821 D CB 0.051 40.855 40.800 0.007 0.000 0.911 821 D HN 0.364 nan 8.370 nan 0.000 0.528 822 L N 0.515 121.750 121.223 0.020 0.000 2.495 822 L HA 0.323 4.656 4.340 -0.012 0.000 0.248 822 L C -1.871 175.025 176.870 0.042 0.000 1.229 822 L CA -1.385 53.473 54.840 0.031 0.000 0.942 822 L CB 2.082 44.140 42.059 -0.002 0.000 1.242 822 L HN -0.232 nan 8.230 nan 0.000 0.484 823 P HA -0.214 nan 4.420 nan 0.000 0.216 823 P C 1.457 178.853 177.300 0.160 0.000 1.153 823 P CA 1.184 64.361 63.100 0.128 0.000 0.848 823 P CB 0.149 31.963 31.700 0.190 0.000 0.787 824 W N 0.905 122.213 121.300 0.014 0.000 2.354 824 W HA -0.176 4.477 4.660 -0.012 0.000 0.315 824 W C 1.758 178.193 176.519 -0.141 0.000 1.206 824 W CA 0.958 58.258 57.345 -0.076 0.000 1.290 824 W CB -0.623 28.860 29.460 0.038 0.000 1.152 824 W HN -0.192 nan 8.180 nan 0.000 0.489 825 I N 1.548 121.969 120.570 -0.249 0.000 2.264 825 I HA -0.312 3.851 4.170 -0.012 0.000 0.248 825 I C 2.777 178.682 176.117 -0.353 0.000 1.111 825 I CA 1.558 62.607 61.300 -0.418 0.000 1.382 825 I CB -1.123 36.742 38.000 -0.226 0.000 1.060 825 I HN 0.013 nan 8.210 nan 0.000 0.418 826 A N 0.310 123.005 122.820 -0.207 0.000 1.877 826 A HA -0.252 4.062 4.320 -0.012 0.000 0.216 826 A C 2.401 179.848 177.584 -0.230 0.000 1.186 826 A CA 1.799 53.735 52.037 -0.167 0.000 0.620 826 A CB -0.606 18.345 19.000 -0.081 0.000 0.822 826 A HN 0.424 nan 8.150 nan 0.000 0.443 827 E N 0.031 120.060 120.200 -0.285 0.000 2.051 827 E HA -0.185 4.158 4.350 -0.012 0.000 0.192 827 E C 2.395 178.730 176.600 -0.442 0.000 0.991 827 E CA 1.517 57.707 56.400 -0.349 0.000 0.799 827 E CB -0.266 29.122 29.700 -0.520 0.000 0.748 827 E HN 0.575 nan 8.360 nan 0.000 0.449 828 S N 0.282 115.532 115.700 -0.751 0.000 2.383 828 S HA -0.154 4.309 4.470 -0.012 0.000 0.229 828 S C 2.162 176.502 174.600 -0.433 0.000 1.030 828 S CA 1.223 58.961 58.200 -0.770 0.000 1.002 828 S CB -0.354 62.107 63.200 -1.232 0.000 0.829 828 S HN 0.298 nan 8.310 nan 0.000 0.467 829 I N 1.035 121.386 120.570 -0.365 0.000 2.315 829 I HA -0.164 3.999 4.170 -0.012 0.000 0.248 829 I C 2.858 178.874 176.117 -0.170 0.000 1.117 829 I CA 1.550 62.706 61.300 -0.239 0.000 1.404 829 I CB -0.379 37.501 38.000 -0.200 0.000 1.071 829 I HN 0.459 nan 8.210 nan 0.000 0.419 830 Q N 0.811 120.509 119.800 -0.171 0.000 2.084 830 Q HA -0.256 4.077 4.340 -0.012 0.000 0.202 830 Q C 2.239 178.189 176.000 -0.084 0.000 0.978 830 Q CA 1.804 57.538 55.803 -0.116 0.000 0.844 830 Q CB -0.121 28.551 28.738 -0.110 0.000 0.898 830 Q HN 0.449 nan 8.270 nan 0.000 0.426 831 L N 0.611 121.784 121.223 -0.083 0.000 1.994 831 L HA -0.172 4.161 4.340 -0.012 0.000 0.208 831 L C 2.157 179.089 176.870 0.104 0.000 1.071 831 L CA 1.865 56.717 54.840 0.020 0.000 0.745 831 L CB -0.412 41.648 42.059 0.000 0.000 0.892 831 L HN 0.096 nan 8.230 nan 0.000 0.431 832 R N -0.260 120.248 120.500 0.013 0.000 2.096 832 R HA -0.135 4.198 4.340 -0.012 0.000 0.235 832 R C 2.219 178.544 176.300 0.042 0.000 1.127 832 R CA 1.535 57.659 56.100 0.040 0.000 0.968 832 R CB -0.663 29.597 30.300 -0.065 0.000 0.861 832 R HN 0.589 nan 8.270 nan 0.000 0.440 833 N N 1.131 119.819 118.700 -0.019 0.000 2.104 833 N HA -0.168 4.565 4.740 -0.012 0.000 0.190 833 N C 1.949 177.434 175.510 -0.042 0.000 1.024 833 N CA 1.544 54.575 53.050 -0.032 0.000 0.853 833 N CB -0.119 38.336 38.487 -0.053 0.000 1.008 833 N HN 0.304 nan 8.380 nan 0.000 0.424 834 I N -0.831 119.696 120.570 -0.071 0.000 2.252 834 I HA -0.222 3.941 4.170 -0.012 0.000 0.245 834 I C 1.444 177.418 176.117 -0.239 0.000 1.102 834 I CA 1.549 62.740 61.300 -0.181 0.000 1.385 834 I CB -1.025 36.816 38.000 -0.266 0.000 1.064 834 I HN -0.002 nan 8.210 nan 0.000 0.414 835 Y N 2.479 122.763 120.300 -0.028 0.000 2.373 835 Y HA -0.091 4.452 4.550 -0.012 0.000 0.293 835 Y C 2.828 178.736 175.900 0.013 0.000 1.129 835 Y CA 2.015 60.122 58.100 0.012 0.000 1.226 835 Y CB -0.707 37.785 38.460 0.054 0.000 1.000 835 Y HN 0.211 nan 8.280 nan 0.000 0.549 836 T N -0.828 113.795 114.554 0.114 0.000 2.985 836 T HA -0.149 4.194 4.350 -0.012 0.000 0.266 836 T C 1.397 176.095 174.700 -0.003 0.000 1.076 836 T CA 1.197 63.339 62.100 0.070 0.000 1.135 836 T CB -0.397 68.502 68.868 0.051 0.000 0.890 836 T HN 0.378 nan 8.240 nan 0.000 0.480 837 D N 1.651 122.021 120.400 -0.051 0.000 2.303 837 D HA -0.176 4.457 4.640 -0.012 0.000 0.190 837 D C -0.680 175.532 176.300 -0.147 0.000 1.011 837 D CA 2.002 55.950 54.000 -0.087 0.000 0.860 837 D CB -0.540 40.181 40.800 -0.131 0.000 0.961 837 D HN 0.297 nan 8.370 nan 0.000 0.453 838 P HA -0.065 nan 4.420 nan 0.000 0.221 838 P C 1.786 178.861 177.300 -0.375 0.000 1.150 838 P CA 0.892 63.664 63.100 -0.546 0.000 0.800 838 P CB -0.093 30.848 31.700 -1.265 0.000 0.787 839 L N -0.248 120.870 121.223 -0.175 0.000 2.017 839 L HA -0.190 4.143 4.340 -0.012 0.000 0.208 839 L C 2.325 179.228 176.870 0.054 0.000 1.073 839 L CA 1.819 56.663 54.840 0.006 0.000 0.745 839 L CB -1.350 40.765 42.059 0.094 0.000 0.894 839 L HN -0.049 nan 8.230 nan 0.000 0.432 840 N N -0.741 118.008 118.700 0.081 0.000 2.104 840 N HA -0.186 4.547 4.740 -0.012 0.000 0.190 840 N C 1.771 177.399 175.510 0.196 0.000 1.024 840 N CA 1.342 54.520 53.050 0.214 0.000 0.853 840 N CB -0.214 38.407 38.487 0.223 0.000 1.008 840 N HN 0.026 nan 8.380 nan 0.000 0.424 841 V N 0.574 120.514 119.914 0.043 0.000 2.407 841 V HA -0.165 3.948 4.120 -0.012 0.000 0.248 841 V C 2.058 178.201 176.094 0.082 0.000 1.055 841 V CA 1.175 63.470 62.300 -0.008 0.000 1.049 841 V CB -0.457 31.266 31.823 -0.166 0.000 0.662 841 V HN 0.300 nan 8.190 nan 0.000 0.455 842 L N 0.010 121.256 121.223 0.038 0.000 2.044 842 L HA -0.125 4.208 4.340 -0.012 0.000 0.205 842 L C 2.517 179.416 176.870 0.048 0.000 1.075 842 L CA 2.156 57.037 54.840 0.067 0.000 0.747 842 L CB -0.944 41.178 42.059 0.104 0.000 0.903 842 L HN 0.425 nan 8.230 nan 0.000 0.435 843 Q N -0.615 119.213 119.800 0.046 0.000 2.152 843 Q HA -0.248 4.085 4.340 -0.012 0.000 0.206 843 Q C 2.021 177.942 176.000 -0.133 0.000 0.985 843 Q CA 1.992 57.801 55.803 0.010 0.000 0.863 843 Q CB -0.182 28.608 28.738 0.087 0.000 0.904 843 Q HN 0.613 nan 8.270 nan 0.000 0.422 844 A N 0.617 123.272 122.820 -0.276 0.000 1.933 844 A HA -0.188 4.125 4.320 -0.012 0.000 0.218 844 A C 1.985 179.432 177.584 -0.228 0.000 1.175 844 A CA 1.468 53.203 52.037 -0.504 0.000 0.628 844 A CB -0.509 18.066 19.000 -0.709 0.000 0.814 844 A HN 0.399 nan 8.150 nan 0.000 0.444 845 E N 0.038 120.188 120.200 -0.083 0.000 2.106 845 E HA -0.107 4.236 4.350 -0.012 0.000 0.192 845 E C 2.058 178.676 176.600 0.030 0.000 0.984 845 E CA 0.816 57.214 56.400 -0.003 0.000 0.806 845 E CB -0.289 29.434 29.700 0.038 0.000 0.750 845 E HN 0.674 nan 8.360 nan 0.000 0.458 846 L N 0.235 121.460 121.223 0.004 0.000 1.994 846 L HA -0.194 4.139 4.340 -0.012 0.000 0.208 846 L C 2.696 179.556 176.870 -0.017 0.000 1.071 846 L CA 0.924 55.767 54.840 0.005 0.000 0.745 846 L CB -0.549 41.517 42.059 0.012 0.000 0.892 846 L HN 0.134 nan 8.230 nan 0.000 0.431 847 L N -0.882 120.314 121.223 -0.045 0.000 2.081 847 L HA -0.301 4.032 4.340 -0.012 0.000 0.212 847 L C 2.785 179.624 176.870 -0.051 0.000 1.080 847 L CA 1.381 56.184 54.840 -0.062 0.000 0.754 847 L CB -0.822 41.178 42.059 -0.099 0.000 0.893 847 L HN 0.438 nan 8.230 nan 0.000 0.433 848 H N 0.478 119.479 119.070 -0.116 0.000 2.363 848 H HA -0.097 4.452 4.556 -0.011 0.000 0.301 848 H C 2.419 177.709 175.328 -0.064 0.000 1.074 848 H CA 1.431 57.421 56.048 -0.096 0.000 1.354 848 H CB 0.255 29.950 29.762 -0.111 0.000 1.397 848 H HN 0.243 nan 8.280 nan 0.000 0.516 849 R N 0.039 120.493 120.500 -0.075 0.000 2.066 849 R HA -0.104 4.229 4.340 -0.012 0.000 0.232 849 R C 2.860 179.084 176.300 -0.127 0.000 1.131 849 R CA 1.366 57.405 56.100 -0.101 0.000 0.955 849 R CB -0.234 30.064 30.300 -0.004 0.000 0.851 849 R HN 0.192 nan 8.270 nan 0.000 0.432 850 S N 0.567 116.213 115.700 -0.090 0.000 2.359 850 S HA -0.162 4.301 4.470 -0.012 0.000 0.224 850 S C 1.907 176.443 174.600 -0.106 0.000 1.035 850 S CA 1.260 59.412 58.200 -0.080 0.000 1.018 850 S CB -0.039 63.127 63.200 -0.058 0.000 0.876 850 S HN 0.258 nan 8.310 nan 0.000 0.448 851 R N 0.483 120.903 120.500 -0.134 0.000 2.189 851 R HA -0.040 4.293 4.340 -0.012 0.000 0.223 851 R C 2.555 178.758 176.300 -0.162 0.000 1.092 851 R CA 1.413 57.431 56.100 -0.137 0.000 0.989 851 R CB -0.177 30.046 30.300 -0.129 0.000 0.876 851 R HN 0.734 nan 8.270 nan 0.000 0.457 852 Q N -0.173 119.491 119.800 -0.226 0.000 2.354 852 Q HA 0.122 4.455 4.340 -0.012 0.000 0.203 852 Q C 1.794 177.718 176.000 -0.127 0.000 0.933 852 Q CA 0.977 56.658 55.803 -0.204 0.000 0.901 852 Q CB 0.141 28.696 28.738 -0.305 0.000 1.007 852 Q HN 0.167 nan 8.270 nan 0.000 0.495 853 A N 2.251 125.004 122.820 -0.113 0.000 1.858 853 A HA -0.269 4.044 4.320 -0.012 0.000 0.216 853 A C 2.109 179.655 177.584 -0.064 0.000 1.190 853 A CA 1.675 53.667 52.037 -0.075 0.000 0.617 853 A CB -0.858 18.105 19.000 -0.063 0.000 0.827 853 A HN 0.723 nan 8.150 nan 0.000 0.443 854 E N 0.350 120.509 120.200 -0.068 0.000 2.058 854 E HA -0.313 4.030 4.350 -0.012 0.000 0.194 854 E C 1.984 178.550 176.600 -0.056 0.000 0.997 854 E CA 1.665 58.030 56.400 -0.058 0.000 0.801 854 E CB -0.464 29.201 29.700 -0.059 0.000 0.746 854 E HN 0.589 nan 8.360 nan 0.000 0.450 855 K N 1.753 122.113 120.400 -0.066 0.000 2.044 855 K HA -0.244 4.069 4.320 -0.012 0.000 0.210 855 K C 2.027 178.598 176.600 -0.047 0.000 1.049 855 K CA 2.006 58.259 56.287 -0.057 0.000 0.927 855 K CB -0.206 32.254 32.500 -0.066 0.000 0.713 855 K HN 0.310 nan 8.250 nan 0.000 0.443 856 E N 0.431 120.601 120.200 -0.050 0.000 2.335 856 E HA -0.001 4.342 4.350 -0.012 0.000 0.191 856 E C 0.035 176.615 176.600 -0.034 0.000 1.150 856 E CA 0.456 56.832 56.400 -0.039 0.000 1.001 856 E CB -0.755 28.921 29.700 -0.040 0.000 1.127 856 E HN 0.513 nan 8.360 nan 0.000 0.462 857 G N 2.026 110.805 108.800 -0.034 0.000 2.424 857 G HA2 -0.325 3.628 3.960 -0.012 0.000 0.294 857 G HA3 -0.325 3.628 3.960 -0.012 0.000 0.294 857 G C -0.205 174.678 174.900 -0.028 0.000 0.939 857 G CA 0.956 46.038 45.100 -0.030 0.000 1.143 857 G HN 0.511 nan 8.290 nan 0.000 0.507 858 Q N -0.988 118.793 119.800 -0.032 0.000 2.418 858 Q HA 0.462 4.795 4.340 -0.012 0.000 0.276 858 Q C -0.066 175.916 176.000 -0.030 0.000 1.081 858 Q CA -0.936 54.849 55.803 -0.029 0.000 0.864 858 Q CB 1.156 29.876 28.738 -0.031 0.000 1.384 858 Q HN 0.539 nan 8.270 nan 0.000 0.467 859 E N 2.223 122.408 120.200 -0.026 0.000 2.316 859 E HA 0.155 4.498 4.350 -0.012 0.000 0.275 859 E C -2.241 174.343 176.600 -0.026 0.000 1.029 859 E CA -1.523 54.863 56.400 -0.024 0.000 0.871 859 E CB 0.035 29.723 29.700 -0.020 0.000 1.022 859 E HN 0.194 nan 8.360 nan 0.000 0.418 860 P HA -0.059 nan 4.420 nan 0.000 0.263 860 P C -0.637 176.650 177.300 -0.022 0.000 1.247 860 P CA -0.016 63.067 63.100 -0.027 0.000 0.876 860 P CB 0.377 32.060 31.700 -0.027 0.000 0.928 861 D N 5.681 126.068 120.400 -0.022 0.000 2.450 861 D HA -0.009 4.624 4.640 -0.012 0.000 0.247 861 D C -1.066 175.226 176.300 -0.015 0.000 1.162 861 D CA -1.580 52.410 54.000 -0.016 0.000 0.879 861 D CB 1.157 41.950 40.800 -0.013 0.000 1.163 861 D HN 0.203 nan 8.370 nan 0.000 0.472 862 P HA -0.112 nan 4.420 nan 0.000 0.219 862 P C 1.116 178.409 177.300 -0.011 0.000 1.150 862 P CA 0.862 63.954 63.100 -0.014 0.000 0.814 862 P CB 0.333 32.024 31.700 -0.015 0.000 0.787 863 R N -0.011 120.485 120.500 -0.007 0.000 2.062 863 R HA -0.020 4.313 4.340 -0.012 0.000 0.231 863 R C 2.343 178.644 176.300 0.002 0.000 1.136 863 R CA 1.149 57.248 56.100 -0.002 0.000 0.948 863 R CB -1.804 28.498 30.300 0.002 0.000 0.845 863 R HN 0.064 nan 8.270 nan 0.000 0.430 864 V N 2.053 121.968 119.914 0.001 0.000 2.392 864 V HA -0.231 3.882 4.120 -0.012 0.000 0.249 864 V C 2.275 178.369 176.094 -0.000 0.000 1.059 864 V CA 1.863 64.164 62.300 0.002 0.000 1.051 864 V CB -0.504 31.316 31.823 -0.006 0.000 0.658 864 V HN 0.364 nan 8.190 nan 0.000 0.455 865 E N -0.722 119.474 120.200 -0.007 0.000 2.072 865 E HA -0.230 4.113 4.350 -0.012 0.000 0.190 865 E C 2.339 178.938 176.600 -0.002 0.000 0.982 865 E CA 1.000 57.396 56.400 -0.008 0.000 0.803 865 E CB -0.058 29.633 29.700 -0.014 0.000 0.755 865 E HN 0.617 nan 8.360 nan 0.000 0.453 866 Q N -0.123 119.675 119.800 -0.003 0.000 2.119 866 Q HA -0.111 4.222 4.340 -0.012 0.000 0.201 866 Q C 2.059 178.066 176.000 0.010 0.000 0.972 866 Q CA 1.092 56.893 55.803 -0.003 0.000 0.847 866 Q CB 0.009 28.739 28.738 -0.013 0.000 0.903 866 Q HN 0.201 nan 8.270 nan 0.000 0.433 867 A N 0.703 123.534 122.820 0.018 0.000 1.898 867 A HA -0.163 4.150 4.320 -0.012 0.000 0.216 867 A C 1.965 179.578 177.584 0.048 0.000 1.181 867 A CA 0.795 52.856 52.037 0.039 0.000 0.620 867 A CB -0.710 18.317 19.000 0.045 0.000 0.819 867 A HN 0.442 nan 8.150 nan 0.000 0.442 868 L N -1.026 120.218 121.223 0.034 0.000 2.042 868 L HA -0.205 4.128 4.340 -0.012 0.000 0.210 868 L C 2.706 179.602 176.870 0.042 0.000 1.076 868 L CA 1.895 56.756 54.840 0.035 0.000 0.749 868 L CB -0.303 41.765 42.059 0.015 0.000 0.893 868 L HN 0.459 nan 8.230 nan 0.000 0.432 869 M N -1.412 118.206 119.600 0.031 0.000 2.213 869 M HA -0.200 4.274 4.480 -0.012 0.000 0.263 869 M C 2.069 178.398 176.300 0.048 0.000 1.062 869 M CA 1.239 56.559 55.300 0.032 0.000 1.105 869 M CB -0.094 32.513 32.600 0.012 0.000 1.385 869 M HN 0.167 nan 8.290 nan 0.000 0.417 870 V N 0.213 120.159 119.914 0.053 0.000 2.307 870 V HA -0.247 3.866 4.120 -0.012 0.000 0.245 870 V C 2.572 178.726 176.094 0.101 0.000 1.045 870 V CA 2.306 64.648 62.300 0.072 0.000 1.024 870 V CB -1.231 30.635 31.823 0.071 0.000 0.651 870 V HN 0.629 nan 8.190 nan 0.000 0.449 871 T N -0.924 113.693 114.554 0.105 0.000 2.708 871 T HA -0.195 4.148 4.350 -0.012 0.000 0.266 871 T C 1.843 176.615 174.700 0.119 0.000 1.037 871 T CA 1.821 63.993 62.100 0.120 0.000 1.146 871 T CB -0.634 68.302 68.868 0.113 0.000 0.865 871 T HN 0.322 nan 8.240 nan 0.000 0.435 872 I N 2.488 123.123 120.570 0.108 0.000 2.113 872 I HA -0.218 3.945 4.170 -0.012 0.000 0.242 872 I C 3.177 179.380 176.117 0.142 0.000 1.064 872 I CA 1.733 63.106 61.300 0.122 0.000 1.320 872 I CB -0.613 37.454 38.000 0.112 0.000 1.028 872 I HN 0.400 nan 8.210 nan 0.000 0.406 873 A N 0.388 123.286 122.820 0.130 0.000 1.969 873 A HA -0.043 4.270 4.320 -0.012 0.000 0.218 873 A C 2.414 180.094 177.584 0.159 0.000 1.169 873 A CA 1.626 53.752 52.037 0.149 0.000 0.635 873 A CB -1.380 17.680 19.000 0.099 0.000 0.810 873 A HN 0.476 nan 8.150 nan 0.000 0.445 874 G N 0.365 109.251 108.800 0.144 0.000 2.453 874 G HA2 -0.210 3.744 3.960 -0.012 0.000 0.215 874 G HA3 -0.210 3.744 3.960 -0.012 0.000 0.215 874 G C 1.526 176.510 174.900 0.140 0.000 1.201 874 G CA 1.143 46.334 45.100 0.153 0.000 0.784 874 G HN 0.446 nan 8.290 nan 0.000 0.545 875 I N 1.607 122.250 120.570 0.122 0.000 2.151 875 I HA -0.273 3.890 4.170 -0.012 0.000 0.243 875 I C 3.298 179.453 176.117 0.063 0.000 1.080 875 I CA 1.183 62.537 61.300 0.089 0.000 1.339 875 I CB -0.251 37.802 38.000 0.088 0.000 1.039 875 I HN 0.260 nan 8.210 nan 0.000 0.409 876 A N 0.490 123.361 122.820 0.085 0.000 1.972 876 A HA -0.132 4.181 4.320 -0.012 0.000 0.219 876 A C 2.492 180.143 177.584 0.111 0.000 1.169 876 A CA 1.831 53.902 52.037 0.058 0.000 0.635 876 A CB -0.666 18.437 19.000 0.173 0.000 0.810 876 A HN 0.467 nan 8.150 nan 0.000 0.446 877 A N -0.668 122.258 122.820 0.178 0.000 1.930 877 A HA 0.242 4.555 4.320 -0.012 0.000 0.215 877 A C 2.353 180.025 177.584 0.148 0.000 1.176 877 A CA 1.619 53.810 52.037 0.256 0.000 0.632 877 A CB -1.155 18.014 19.000 0.280 0.000 0.819 877 A HN 0.645 nan 8.150 nan 0.000 0.445 878 G N -0.906 107.942 108.800 0.079 0.000 2.394 878 G HA2 -0.104 3.849 3.960 -0.012 0.000 0.215 878 G HA3 -0.104 3.849 3.960 -0.012 0.000 0.215 878 G C 1.387 176.246 174.900 -0.069 0.000 1.165 878 G CA 1.107 46.212 45.100 0.007 0.000 0.784 878 G HN 0.340 nan 8.290 nan 0.000 0.535 879 M N 0.068 119.635 119.600 -0.055 0.000 2.506 879 M HA 0.245 4.718 4.480 -0.012 0.000 0.260 879 M C 1.427 177.652 176.300 -0.125 0.000 1.104 879 M CA 0.045 55.288 55.300 -0.094 0.000 1.112 879 M CB -0.831 31.715 32.600 -0.091 0.000 1.401 879 M HN 0.247 nan 8.290 nan 0.000 0.473 880 R N 1.354 121.791 120.500 -0.105 0.000 3.603 880 R HA -0.220 4.113 4.340 -0.012 0.000 0.560 880 R C 0.378 176.626 176.300 -0.086 0.000 0.241 880 R CA 1.689 57.738 56.100 -0.085 0.000 1.735 880 R CB -1.770 28.401 30.300 -0.214 0.000 0.912 880 R HN 0.559 nan 8.270 nan 0.000 0.603 881 N N 1.671 120.332 118.700 -0.066 0.000 2.452 881 N HA -0.006 4.727 4.740 -0.012 0.000 0.266 881 N C 0.132 175.595 175.510 -0.078 0.000 1.175 881 N CA 0.836 53.855 53.050 -0.052 0.000 0.945 881 N CB 1.093 39.569 38.487 -0.019 0.000 1.063 881 N HN 0.683 nan 8.380 nan 0.000 0.472 882 T N -1.392 113.115 114.554 -0.079 0.000 3.170 882 T HA 0.434 4.777 4.350 -0.012 0.000 0.288 882 T C 0.525 175.204 174.700 -0.035 0.000 0.992 882 T CA -0.148 61.908 62.100 -0.073 0.000 0.909 882 T CB 0.014 68.821 68.868 -0.102 0.000 1.133 882 T HN 0.648 nan 8.240 nan 0.000 0.530 883 G N 0.000 108.803 108.800 0.004 0.000 5.446 883 G HA2 0.000 3.953 3.960 -0.012 0.000 0.244 883 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 883 G CA 0.000 45.141 45.100 0.068 0.000 0.502 883 G HN 0.000 nan 8.290 nan 0.000 0.925