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 3hbl_1_B DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXIDNPKHI EVQVIGDEHG NIVHLFERDC SVQRRHQKVV EVAPSVGLSP DATA SEQUENCE TLRQRICDAA IQLMENIKYV NAGTVEFLVS XGDEFFFIEV NPRVQVEHTI DATA SEQUENCE TEMVTGIDIV KTQILVAAGA DGEEINPQQK DITTLGYAIQ CRITTEDPLN DATA SEQUENCE DFMPDTGTII AYRSSGGFGV RLDAGDGFQG AEISPYYDSL LVKLSTHAIS DATA SEQUENCE FKQAEEKMVR SLREMRIRGV KTNIPFLINV MKNKKFTSGD YTTKFIEETP DATA SEQUENCE ELFDIQPSLD RGTKTLEYIG NVTINGFPXN VEKRPKPDYE LASIPTVSSS DATA SEQUENCE KIFSGTKQLL DEVGPKGVAE WVKKQDDVLL TDTTFRDAHQ SLLATRVRTK DATA SEQUENCE DMINIASKTA DVFKDGFSLE MWGGATFDVA YNFLKENPWE RLERLRKAIP DATA SEQUENCE NVLFQMLLRA SNAVGYKNYP DNVIHKFVQE SAKAGIDVFR IFDSLNWVDQ DATA SEQUENCE MKVANEAVQE AGKISEGTIC YTGDILNPER SIYTLEYYVK LAKELEREGF DATA SEQUENCE HILAIKDMAG LLKPKAAYEL IGELKSAVXD LPIHLHTHDT SGNGLLTYKQ DATA SEQUENCE AIDAGVDIID TAVASMSGLT SQPSANSLYY ALNGFPRHLR TDIEGMESLS DATA SEQUENCE HYWSTVRTYY SDFEXXSDIK SPNTEIYQHE MPGGQYSNLS QQAKSLGLGE DATA SEQUENCE RFDEVKDMYR RVNFLFGDIV KVAPSSKVVG DMALYMVQND LDEQSVITDG DATA SEQUENCE YKLDFPESVV SFFKGEIGQP VNGFNKDLQA VILKGQEALT ARPGEYLEPV DATA SEQUENCE DFEKVRELLE EEQQGPVTEQ DIISYVLYPK VYEQYIQTRN QYGNLSLLDT DATA SEQUENCE PTFFFGMRNG ETVEIEIDKG KRLIIKLETI SEPDENGNRT IYYAMNGQAR DATA SEQUENCE RIYIKDENVH TNANVKPKAD KSNPSHIGAQ MPGSVTEVKV SVGETVKANQ DATA SEQUENCE PLLITEAMKM ETTIQAPFDG VIKQVTVNNG DTIATGDLLI EIE 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.017 176.000 0.029 0.000 1.003 36 Q CA 0.000 55.819 55.803 0.028 0.000 1.022 36 Q CB 0.000 28.756 28.738 0.029 0.000 1.108 37 I N 1.782 122.370 120.570 0.030 0.000 2.354 37 I HA 0.344 4.514 4.170 0.001 0.000 0.292 37 I C 0.491 176.630 176.117 0.036 0.000 0.989 37 I CA -0.686 60.634 61.300 0.034 0.000 1.188 37 I CB 1.515 39.537 38.000 0.037 0.000 1.342 37 I HN 0.017 nan 8.210 nan 0.000 0.457 38 K N 4.811 125.233 120.400 0.036 0.000 2.190 38 K HA 0.152 4.473 4.320 0.001 0.000 0.202 38 K C 0.095 176.722 176.600 0.045 0.000 1.045 38 K CA 1.022 57.331 56.287 0.036 0.000 0.976 38 K CB 0.170 32.689 32.500 0.031 0.000 0.849 38 K HN 0.595 nan 8.250 nan 0.000 0.468 39 K N -0.034 120.397 120.400 0.051 0.000 2.498 39 K HA 0.476 4.796 4.320 0.001 0.000 0.254 39 K C -1.043 175.605 176.600 0.081 0.000 0.933 39 K CA -0.684 55.642 56.287 0.065 0.000 0.806 39 K CB 2.089 34.626 32.500 0.062 0.000 1.301 39 K HN -0.112 nan 8.250 nan 0.000 0.432 40 L N 2.626 123.914 121.223 0.108 0.000 2.331 40 L HA 0.458 4.798 4.340 0.001 0.000 0.268 40 L C -0.123 176.854 176.870 0.178 0.000 1.015 40 L CA -0.691 54.230 54.840 0.135 0.000 0.807 40 L CB 1.776 43.926 42.059 0.152 0.000 1.293 40 L HN 0.916 nan 8.230 nan 0.000 0.451 41 L N 1.121 122.461 121.223 0.195 0.000 2.919 41 L HA 0.475 4.815 4.340 0.001 0.000 0.169 41 L C -0.507 176.538 176.870 0.292 0.000 1.228 41 L CA 0.244 55.224 54.840 0.234 0.000 0.862 41 L CB 0.767 42.943 42.059 0.195 0.000 1.313 41 L HN 0.324 nan 8.230 nan 0.000 0.526 42 V N 1.304 121.333 119.914 0.191 0.000 3.327 42 V HA -0.125 3.996 4.120 0.001 0.000 0.455 42 V C 0.059 176.221 176.094 0.114 0.000 0.681 42 V CA 0.390 62.739 62.300 0.081 0.000 1.970 42 V CB -1.933 29.802 31.823 -0.147 0.000 2.431 42 V HN 0.613 nan 8.190 nan 0.000 0.494 43 A N 4.140 127.023 122.820 0.105 0.000 3.091 43 A HA 0.691 5.011 4.320 0.001 0.000 0.264 43 A C 0.318 177.857 177.584 -0.076 0.000 1.673 43 A CA 0.977 53.049 52.037 0.058 0.000 1.362 43 A CB -0.284 18.731 19.000 0.024 0.000 1.137 43 A HN 0.998 nan 8.150 nan 0.000 0.617 44 N N -0.800 117.830 118.700 -0.116 0.000 3.449 44 N HA 0.626 5.366 4.740 0.001 0.000 0.312 44 N C -0.547 174.662 175.510 -0.503 0.000 1.557 44 N CA -0.759 52.035 53.050 -0.427 0.000 0.864 44 N CB 0.974 39.236 38.487 -0.375 0.000 1.799 44 N HN 0.568 nan 8.380 nan 0.000 0.554 45 R N -0.750 119.297 120.500 -0.755 0.000 3.006 45 R HA 0.791 5.131 4.340 0.001 0.000 0.261 45 R C 0.241 176.150 176.300 -0.651 0.000 1.113 45 R CA -0.441 55.007 56.100 -1.087 0.000 0.973 45 R CB -0.357 29.416 30.300 -0.877 0.000 1.341 45 R HN 0.710 nan 8.270 nan 0.000 0.437 46 G N 0.580 109.122 108.800 -0.430 0.000 2.598 46 G HA2 -0.433 3.528 3.960 0.001 0.000 0.269 46 G HA3 -0.433 3.528 3.960 0.001 0.000 0.269 46 G C 0.675 175.529 174.900 -0.077 0.000 1.289 46 G CA 1.043 46.071 45.100 -0.120 0.000 0.926 46 G HN 1.031 nan 8.290 nan 0.000 0.567 47 E N -0.568 119.632 120.200 0.000 0.000 2.110 47 E HA -0.038 4.312 4.350 0.001 0.000 0.193 47 E C 2.440 179.012 176.600 -0.046 0.000 0.988 47 E CA 2.160 58.578 56.400 0.030 0.000 0.804 47 E CB -0.144 29.616 29.700 0.099 0.000 0.745 47 E HN 0.834 nan 8.360 nan 0.000 0.458 48 I N 0.980 121.460 120.570 -0.150 0.000 2.202 48 I HA -0.106 4.064 4.170 0.001 0.000 0.242 48 I C 2.268 178.137 176.117 -0.414 0.000 1.091 48 I CA 1.473 62.590 61.300 -0.305 0.000 1.368 48 I CB -0.881 36.697 38.000 -0.703 0.000 1.058 48 I HN 0.227 nan 8.210 nan 0.000 0.410 49 A N 0.889 123.433 122.820 -0.460 0.000 1.859 49 A HA -0.248 4.073 4.320 0.001 0.000 0.217 49 A C 2.352 179.517 177.584 -0.698 0.000 1.198 49 A CA 2.504 54.144 52.037 -0.662 0.000 0.629 49 A CB -1.286 17.427 19.000 -0.478 0.000 0.830 49 A HN 0.519 nan 8.150 nan 0.000 0.446 50 I N -0.970 119.484 120.570 -0.193 0.000 2.151 50 I HA -0.318 3.852 4.170 0.001 0.000 0.243 50 I C 2.684 178.784 176.117 -0.028 0.000 1.080 50 I CA 1.986 63.320 61.300 0.055 0.000 1.339 50 I CB -0.317 37.748 38.000 0.108 0.000 1.039 50 I HN 0.332 nan 8.210 nan 0.000 0.409 51 R N 1.504 121.945 120.500 -0.099 0.000 2.096 51 R HA -0.142 4.199 4.340 0.001 0.000 0.235 51 R C 2.043 178.251 176.300 -0.152 0.000 1.127 51 R CA 1.699 57.757 56.100 -0.071 0.000 0.968 51 R CB -0.460 29.823 30.300 -0.028 0.000 0.861 51 R HN 0.297 nan 8.270 nan 0.000 0.440 52 I N -0.146 120.213 120.570 -0.351 0.000 2.163 52 I HA -0.234 3.937 4.170 0.001 0.000 0.240 52 I C 2.131 178.133 176.117 -0.192 0.000 1.081 52 I CA 1.482 62.540 61.300 -0.403 0.000 1.353 52 I CB -1.271 36.325 38.000 -0.675 0.000 1.054 52 I HN 0.096 nan 8.210 nan 0.000 0.407 53 F N 1.358 121.282 119.950 -0.044 0.000 2.202 53 F HA -0.199 4.328 4.527 0.000 0.000 0.301 53 F C 2.881 178.683 175.800 0.004 0.000 1.082 53 F CA 0.936 58.932 58.000 -0.006 0.000 1.313 53 F CB -0.476 38.529 39.000 0.009 0.000 1.024 53 F HN 0.006 nan 8.300 nan 0.000 0.495 54 R N 0.383 120.981 120.500 0.164 0.000 2.062 54 R HA -0.103 4.238 4.340 0.001 0.000 0.231 54 R C 2.578 178.922 176.300 0.074 0.000 1.136 54 R CA 1.192 57.355 56.100 0.107 0.000 0.948 54 R CB -0.813 29.536 30.300 0.082 0.000 0.845 54 R HN 0.247 nan 8.270 nan 0.000 0.430 55 A N 1.168 124.014 122.820 0.043 0.000 1.908 55 A HA -0.180 4.140 4.320 0.001 0.000 0.218 55 A C 2.331 179.945 177.584 0.049 0.000 1.181 55 A CA 1.941 53.999 52.037 0.035 0.000 0.627 55 A CB -0.720 18.284 19.000 0.006 0.000 0.818 55 A HN 0.442 nan 8.150 nan 0.000 0.445 56 A N -0.476 122.384 122.820 0.066 0.000 1.929 56 A HA 0.277 4.597 4.320 0.001 0.000 0.216 56 A C 2.463 180.095 177.584 0.080 0.000 1.176 56 A CA 1.727 53.813 52.037 0.082 0.000 0.628 56 A CB -0.888 18.183 19.000 0.119 0.000 0.816 56 A HN 1.047 nan 8.150 nan 0.000 0.444 57 A N 0.060 122.933 122.820 0.089 0.000 1.972 57 A HA -0.144 4.176 4.320 0.001 0.000 0.219 57 A C 1.738 179.354 177.584 0.053 0.000 1.169 57 A CA 1.503 53.581 52.037 0.069 0.000 0.635 57 A CB -0.504 18.539 19.000 0.071 0.000 0.810 57 A HN 0.620 nan 8.150 nan 0.000 0.446 58 E N -0.753 119.479 120.200 0.052 0.000 2.463 58 E HA -0.017 4.333 4.350 0.001 0.000 0.201 58 E C 0.293 176.915 176.600 0.038 0.000 1.045 58 E CA 0.444 56.870 56.400 0.043 0.000 0.872 58 E CB -0.114 29.612 29.700 0.043 0.000 0.797 58 E HN 0.620 nan 8.360 nan 0.000 0.538 59 L N 0.347 121.594 121.223 0.040 0.000 3.289 59 L HA 0.146 4.486 4.340 0.001 0.000 0.291 59 L C -0.524 176.367 176.870 0.035 0.000 1.279 59 L CA -0.362 54.499 54.840 0.035 0.000 1.025 59 L CB 0.406 42.487 42.059 0.037 0.000 1.413 59 L HN -0.063 nan 8.230 nan 0.000 0.593 60 D N 1.809 122.230 120.400 0.035 0.000 2.697 60 D HA -0.188 4.452 4.640 0.001 0.000 0.235 60 D C -0.040 176.282 176.300 0.037 0.000 1.167 60 D CA 1.016 55.036 54.000 0.033 0.000 0.656 60 D CB -0.725 40.091 40.800 0.027 0.000 1.025 60 D HN 0.363 nan 8.370 nan 0.000 0.419 61 I N 0.629 121.227 120.570 0.047 0.000 2.355 61 I HA 0.076 4.246 4.170 0.001 0.000 0.288 61 I C 0.900 177.053 176.117 0.060 0.000 0.999 61 I CA -0.498 60.835 61.300 0.055 0.000 1.163 61 I CB 1.784 39.823 38.000 0.066 0.000 1.316 61 I HN -0.089 nan 8.210 nan 0.000 0.454 62 S N 4.670 120.401 115.700 0.050 0.000 2.558 62 S HA 0.156 4.626 4.470 0.001 0.000 0.288 62 S C 0.148 174.786 174.600 0.062 0.000 1.318 62 S CA -0.179 58.047 58.200 0.043 0.000 1.056 62 S CB 0.188 63.410 63.200 0.038 0.000 0.853 62 S HN 0.713 nan 8.310 nan 0.000 0.505 63 T N 1.891 116.465 114.554 0.034 0.000 2.824 63 T HA 0.667 5.017 4.350 0.001 0.000 0.282 63 T C -0.665 174.007 174.700 -0.046 0.000 0.993 63 T CA -0.845 61.283 62.100 0.046 0.000 0.967 63 T CB 1.216 70.103 68.868 0.032 0.000 0.960 63 T HN 0.391 nan 8.240 nan 0.000 0.441 64 V N 1.723 121.673 119.914 0.060 0.000 2.581 64 V HA 0.878 4.998 4.120 0.001 0.000 0.303 64 V C 0.274 176.431 176.094 0.105 0.000 1.041 64 V CA -1.047 61.288 62.300 0.060 0.000 0.907 64 V CB 1.463 33.385 31.823 0.164 0.000 0.994 64 V HN 1.308 nan 8.190 nan 0.000 0.442 65 A N 4.742 127.581 122.820 0.032 0.000 2.355 65 A HA 0.950 5.270 4.320 0.001 0.000 0.324 65 A C -0.649 177.055 177.584 0.201 0.000 1.117 65 A CA -0.660 51.493 52.037 0.193 0.000 0.785 65 A CB 1.254 20.261 19.000 0.010 0.000 1.254 65 A HN 1.076 nan 8.150 nan 0.000 0.453 66 I N -0.086 120.644 120.570 0.267 0.000 2.404 66 I HA 0.833 5.003 4.170 0.001 0.000 0.293 66 I C -0.746 175.504 176.117 0.221 0.000 0.992 66 I CA -0.813 60.560 61.300 0.121 0.000 1.149 66 I CB 1.327 39.357 38.000 0.051 0.000 1.315 66 I HN 0.723 nan 8.210 nan 0.000 0.446 67 Y N 2.735 123.031 120.300 -0.006 0.000 2.633 67 Y HA 0.837 5.387 4.550 0.000 0.000 0.339 67 Y C -0.297 175.510 175.900 -0.156 0.000 1.045 67 Y CA -1.166 56.918 58.100 -0.027 0.000 1.098 67 Y CB 1.111 39.494 38.460 -0.128 0.000 1.296 67 Y HN 0.675 nan 8.280 nan 0.000 0.494 68 S N -0.561 115.210 115.700 0.119 0.000 2.726 68 S HA 0.354 4.825 4.470 0.001 0.000 0.308 68 S C 0.323 175.028 174.600 0.175 0.000 1.115 68 S CA -0.725 57.488 58.200 0.022 0.000 0.965 68 S CB 1.164 64.389 63.200 0.043 0.000 1.145 68 S HN 0.903 nan 8.310 nan 0.000 0.532 69 N N 0.360 119.129 118.700 0.115 0.000 2.104 69 N HA -0.094 4.646 4.740 0.001 0.000 0.190 69 N C 0.985 176.582 175.510 0.144 0.000 1.024 69 N CA 1.327 54.447 53.050 0.118 0.000 0.853 69 N CB -0.037 38.490 38.487 0.067 0.000 1.008 69 N HN 0.617 nan 8.380 nan 0.000 0.424 70 E N -0.380 119.933 120.200 0.188 0.000 2.479 70 E HA -0.008 4.342 4.350 0.001 0.000 0.193 70 E C -0.108 176.629 176.600 0.229 0.000 1.049 70 E CA 0.121 56.650 56.400 0.215 0.000 0.870 70 E CB 0.469 30.326 29.700 0.260 0.000 0.944 70 E HN 0.232 nan 8.360 nan 0.000 0.492 71 D N 0.070 120.601 120.400 0.218 0.000 2.424 71 D HA 0.054 4.694 4.640 0.001 0.000 0.220 71 D C 1.161 177.498 176.300 0.061 0.000 1.150 71 D CA 0.042 54.149 54.000 0.178 0.000 0.831 71 D CB 0.370 41.318 40.800 0.245 0.000 0.981 71 D HN -0.092 nan 8.370 nan 0.000 0.500 72 K N -0.228 120.190 120.400 0.030 0.000 2.211 72 K HA -0.016 4.304 4.320 0.001 0.000 0.204 72 K C 1.128 177.595 176.600 -0.221 0.000 1.047 72 K CA 0.722 56.907 56.287 -0.171 0.000 0.935 72 K CB 0.163 32.635 32.500 -0.047 0.000 0.728 72 K HN -0.019 nan 8.250 nan 0.000 0.452 73 S N 0.281 115.948 115.700 -0.055 0.000 2.540 73 S HA 0.031 4.502 4.470 0.001 0.000 0.218 73 S C 0.469 175.017 174.600 -0.087 0.000 0.977 73 S CA -0.299 57.902 58.200 0.002 0.000 0.918 73 S CB 0.540 63.815 63.200 0.126 0.000 0.806 73 S HN 0.130 nan 8.310 nan 0.000 0.496 74 S N 1.577 117.209 115.700 -0.114 0.000 2.549 74 S HA 0.248 4.719 4.470 0.001 0.000 0.283 74 S C 1.217 175.601 174.600 -0.359 0.000 1.320 74 S CA -0.389 57.748 58.200 -0.104 0.000 1.058 74 S CB 0.258 63.566 63.200 0.179 0.000 0.882 74 S HN 0.461 nan 8.310 nan 0.000 0.498 75 L N 4.975 125.909 121.223 -0.482 0.000 2.081 75 L HA -0.179 4.161 4.340 0.001 0.000 0.212 75 L C 2.575 179.378 176.870 -0.112 0.000 1.080 75 L CA 1.925 56.565 54.840 -0.334 0.000 0.754 75 L CB -0.456 41.429 42.059 -0.290 0.000 0.893 75 L HN 0.933 nan 8.230 nan 0.000 0.433 76 H N -0.682 118.322 119.070 -0.110 0.000 2.457 76 H HA -0.217 4.339 4.556 0.001 0.000 0.294 76 H C 2.093 177.359 175.328 -0.104 0.000 1.064 76 H CA 1.198 57.261 56.048 0.025 0.000 1.330 76 H CB -0.535 29.314 29.762 0.145 0.000 1.395 76 H HN 0.361 nan 8.280 nan 0.000 0.541 77 R N 0.523 120.431 120.500 -0.986 0.000 2.154 77 R HA -0.199 4.142 4.340 0.001 0.000 0.248 77 R C 1.015 176.852 176.300 -0.771 0.000 1.155 77 R CA 2.047 57.546 56.100 -1.002 0.000 0.979 77 R CB -0.209 29.237 30.300 -1.423 0.000 0.869 77 R HN 0.443 nan 8.270 nan 0.000 0.452 78 Y N -1.444 118.690 120.300 -0.277 0.000 2.458 78 Y HA 0.223 4.773 4.550 0.000 0.000 0.254 78 Y C 1.805 177.595 175.900 -0.183 0.000 1.120 78 Y CA -0.398 57.570 58.100 -0.220 0.000 1.282 78 Y CB 0.476 38.819 38.460 -0.197 0.000 1.109 78 Y HN -0.183 nan 8.280 nan 0.000 0.526 79 K N 0.900 121.268 120.400 -0.054 0.000 2.366 79 K HA 0.187 4.507 4.320 0.001 0.000 0.198 79 K C 0.865 177.332 176.600 -0.222 0.000 1.044 79 K CA 0.423 56.686 56.287 -0.039 0.000 0.973 79 K CB -0.107 32.466 32.500 0.121 0.000 0.767 79 K HN 0.224 nan 8.250 nan 0.000 0.475 80 A N 1.193 123.707 122.820 -0.510 0.000 2.242 80 A HA 0.195 4.515 4.320 0.001 0.000 0.304 80 A C 0.557 177.956 177.584 -0.308 0.000 1.100 80 A CA -0.418 51.227 52.037 -0.654 0.000 0.860 80 A CB 0.500 18.831 19.000 -1.115 0.000 1.168 80 A HN 0.035 nan 8.150 nan 0.000 0.503 81 D N -0.391 119.872 120.400 -0.229 0.000 2.271 81 D HA 0.053 4.693 4.640 0.001 0.000 0.206 81 D C -0.057 176.168 176.300 -0.125 0.000 0.967 81 D CA 1.038 54.963 54.000 -0.126 0.000 0.867 81 D CB 0.453 41.212 40.800 -0.068 0.000 0.960 81 D HN 0.631 nan 8.370 nan 0.000 0.509 82 E N 0.052 120.163 120.200 -0.149 0.000 2.293 82 E HA 0.452 4.802 4.350 0.001 0.000 0.270 82 E C -1.116 175.344 176.600 -0.233 0.000 0.879 82 E CA -0.473 55.828 56.400 -0.165 0.000 0.756 82 E CB 2.428 32.123 29.700 -0.008 0.000 1.208 82 E HN -0.202 nan 8.360 nan 0.000 0.428 83 S N 1.608 117.058 115.700 -0.417 0.000 2.538 83 S HA 0.610 5.081 4.470 0.001 0.000 0.288 83 S C -1.432 172.837 174.600 -0.551 0.000 1.108 83 S CA -0.685 57.346 58.200 -0.282 0.000 0.971 83 S CB 0.793 63.911 63.200 -0.137 0.000 1.041 83 S HN 0.390 nan 8.310 nan 0.000 0.483 84 Y N 0.738 121.011 120.300 -0.044 0.000 2.513 84 Y HA 0.479 5.030 4.550 0.000 0.000 0.340 84 Y C -0.748 174.694 175.900 -0.763 0.000 1.055 84 Y CA -1.141 56.806 58.100 -0.255 0.000 1.020 84 Y CB 1.239 39.609 38.460 -0.150 0.000 1.301 84 Y HN 0.550 nan 8.280 nan 0.000 0.453 85 L N 3.385 124.274 121.223 -0.557 0.000 2.319 85 L HA 0.530 4.871 4.340 0.001 0.000 0.280 85 L C -0.961 175.683 176.870 -0.377 0.000 1.099 85 L CA -0.226 54.175 54.840 -0.731 0.000 0.828 85 L CB 0.675 42.525 42.059 -0.349 0.000 1.150 85 L HN 0.440 nan 8.230 nan 0.000 0.442 86 V N 5.639 125.319 119.914 -0.390 0.000 2.383 86 V HA 0.567 4.687 4.120 0.001 0.000 0.275 86 V C 0.739 176.713 176.094 -0.199 0.000 1.036 86 V CA 0.038 62.181 62.300 -0.263 0.000 0.889 86 V CB 0.552 32.184 31.823 -0.319 0.000 0.985 86 V HN 1.064 nan 8.190 nan 0.000 0.459 87 G N 4.508 113.227 108.800 -0.135 0.000 2.460 87 G HA2 -0.203 3.757 3.960 0.001 0.000 0.259 87 G HA3 -0.203 3.757 3.960 0.001 0.000 0.259 87 G C 0.673 175.528 174.900 -0.075 0.000 0.959 87 G CA 0.245 45.290 45.100 -0.093 0.000 1.330 87 G HN 0.800 nan 8.290 nan 0.000 0.451 88 S N 0.770 116.434 115.700 -0.060 0.000 2.402 88 S HA -0.080 4.390 4.470 0.001 0.000 0.229 88 S C 1.990 176.573 174.600 -0.028 0.000 1.021 88 S CA 1.991 60.168 58.200 -0.037 0.000 0.974 88 S CB -0.084 63.099 63.200 -0.028 0.000 0.800 88 S HN 0.944 nan 8.310 nan 0.000 0.484 89 D N 0.140 120.521 120.400 -0.031 0.000 2.324 89 D HA 0.093 4.734 4.640 0.001 0.000 0.212 89 D C 0.361 176.641 176.300 -0.033 0.000 0.984 89 D CA -0.134 53.850 54.000 -0.028 0.000 0.885 89 D CB -0.398 40.387 40.800 -0.025 0.000 0.996 89 D HN 0.157 nan 8.370 nan 0.000 0.505 90 L N 2.084 123.284 121.223 -0.039 0.000 2.385 90 L HA 0.425 4.765 4.340 0.001 0.000 0.281 90 L C 0.893 177.736 176.870 -0.044 0.000 1.106 90 L CA -0.132 54.684 54.840 -0.041 0.000 0.856 90 L CB 0.324 42.358 42.059 -0.042 0.000 1.186 90 L HN 0.164 nan 8.230 nan 0.000 0.453 91 G N 5.443 114.212 108.800 -0.051 0.000 2.474 91 G HA2 0.094 4.055 3.960 0.001 0.000 0.233 91 G HA3 0.094 4.055 3.960 0.001 0.000 0.233 91 G C -1.614 173.246 174.900 -0.067 0.000 1.278 91 G CA -0.768 44.290 45.100 -0.070 0.000 0.861 91 G HN 0.668 nan 8.290 nan 0.000 0.567 92 P HA -0.236 nan 4.420 nan 0.000 0.219 92 P C 1.909 179.177 177.300 -0.053 0.000 1.145 92 P CA 1.924 65.051 63.100 0.044 0.000 0.813 92 P CB 0.229 31.977 31.700 0.078 0.000 0.771 93 A N -0.286 122.421 122.820 -0.189 0.000 1.930 93 A HA -0.184 4.136 4.320 0.001 0.000 0.217 93 A C 1.919 179.514 177.584 0.019 0.000 1.175 93 A CA 1.476 53.437 52.037 -0.127 0.000 0.627 93 A CB -0.798 18.106 19.000 -0.159 0.000 0.815 93 A HN 0.245 nan 8.150 nan 0.000 0.443 94 E N -0.794 119.412 120.200 0.010 0.000 2.474 94 E HA 0.055 4.406 4.350 0.001 0.000 0.194 94 E C 1.836 178.466 176.600 0.050 0.000 1.041 94 E CA 0.381 56.803 56.400 0.037 0.000 0.874 94 E CB 0.150 29.852 29.700 0.003 0.000 0.914 94 E HN 0.465 nan 8.360 nan 0.000 0.498 95 S N 0.240 115.970 115.700 0.049 0.000 2.344 95 S HA -0.166 4.305 4.470 0.001 0.000 0.217 95 S C 1.637 176.164 174.600 -0.122 0.000 1.033 95 S CA 1.288 59.446 58.200 -0.070 0.000 1.017 95 S CB -0.159 62.954 63.200 -0.146 0.000 0.941 95 S HN 0.333 nan 8.310 nan 0.000 0.430 96 Y N 1.182 121.504 120.300 0.037 0.000 2.263 96 Y HA 0.158 4.708 4.550 0.001 0.000 0.292 96 Y C 2.069 177.954 175.900 -0.024 0.000 1.130 96 Y CA 0.601 58.639 58.100 -0.104 0.000 1.179 96 Y CB -0.260 37.930 38.460 -0.449 0.000 0.998 96 Y HN 0.184 nan 8.280 nan 0.000 0.532 97 L N 0.159 121.544 121.223 0.270 0.000 2.362 97 L HA -0.138 4.203 4.340 0.001 0.000 0.219 97 L C 0.571 177.487 176.870 0.077 0.000 1.134 97 L CA 0.296 55.255 54.840 0.197 0.000 0.807 97 L CB -0.503 41.685 42.059 0.214 0.000 0.927 97 L HN 0.175 nan 8.230 nan 0.000 0.447 98 N N 0.357 119.084 118.700 0.045 0.000 2.458 98 N HA 0.104 4.844 4.740 0.001 0.000 0.270 98 N C 0.779 176.295 175.510 0.010 0.000 1.102 98 N CA 0.147 53.210 53.050 0.022 0.000 0.967 98 N CB 0.798 39.289 38.487 0.007 0.000 1.078 98 N HN 0.022 nan 8.380 nan 0.000 0.471 99 I N 2.069 122.669 120.570 0.050 0.000 2.188 99 I HA -0.133 4.037 4.170 0.001 0.000 0.237 99 I C 1.960 178.163 176.117 0.143 0.000 1.073 99 I CA 0.516 61.894 61.300 0.129 0.000 1.359 99 I CB -0.258 37.869 38.000 0.211 0.000 1.083 99 I HN 0.548 nan 8.210 nan 0.000 0.412 100 E N 0.890 121.147 120.200 0.094 0.000 2.095 100 E HA -0.324 4.026 4.350 0.001 0.000 0.212 100 E C 2.255 178.885 176.600 0.050 0.000 1.044 100 E CA 1.730 58.170 56.400 0.067 0.000 0.857 100 E CB -0.458 29.263 29.700 0.035 0.000 0.764 100 E HN 0.226 nan 8.360 nan 0.000 0.462 101 R N 0.511 121.025 120.500 0.023 0.000 2.115 101 R HA 0.006 4.346 4.340 0.001 0.000 0.230 101 R C 2.408 178.707 176.300 -0.000 0.000 1.111 101 R CA 0.664 56.760 56.100 -0.008 0.000 0.976 101 R CB -0.450 29.827 30.300 -0.037 0.000 0.870 101 R HN 0.218 nan 8.270 nan 0.000 0.445 102 I N -0.176 120.418 120.570 0.040 0.000 2.179 102 I HA -0.287 3.884 4.170 0.001 0.000 0.242 102 I C 1.847 178.032 176.117 0.113 0.000 1.088 102 I CA 1.374 62.722 61.300 0.080 0.000 1.357 102 I CB -0.249 37.828 38.000 0.129 0.000 1.051 102 I HN 0.119 nan 8.210 nan 0.000 0.409 103 I N 0.568 121.223 120.570 0.141 0.000 2.226 103 I HA -0.283 3.887 4.170 0.001 0.000 0.245 103 I C 1.992 178.123 176.117 0.023 0.000 1.100 103 I CA 1.226 62.580 61.300 0.089 0.000 1.374 103 I CB -0.647 37.396 38.000 0.073 0.000 1.057 103 I HN 0.202 nan 8.210 nan 0.000 0.413 104 D N 0.888 121.290 120.400 0.004 0.000 2.158 104 D HA -0.144 4.496 4.640 0.001 0.000 0.197 104 D C 2.372 178.625 176.300 -0.078 0.000 0.995 104 D CA 1.238 55.216 54.000 -0.036 0.000 0.846 104 D CB -0.382 40.394 40.800 -0.040 0.000 0.941 104 D HN 0.198 nan 8.370 nan 0.000 0.456 105 V N 1.349 121.212 119.914 -0.085 0.000 2.283 105 V HA -0.190 3.930 4.120 0.001 0.000 0.243 105 V C 2.590 178.613 176.094 -0.117 0.000 1.039 105 V CA 1.658 63.861 62.300 -0.160 0.000 1.016 105 V CB -0.990 30.759 31.823 -0.124 0.000 0.650 105 V HN 0.185 nan 8.190 nan 0.000 0.449 106 A N -0.030 122.776 122.820 -0.024 0.000 1.903 106 A HA -0.330 3.990 4.320 0.001 0.000 0.219 106 A C 2.293 179.866 177.584 -0.018 0.000 1.191 106 A CA 2.504 54.547 52.037 0.010 0.000 0.638 106 A CB -0.577 18.455 19.000 0.053 0.000 0.823 106 A HN 0.564 nan 8.150 nan 0.000 0.451 107 K N -1.197 119.185 120.400 -0.031 0.000 2.032 107 K HA -0.218 4.103 4.320 0.001 0.000 0.209 107 K C 2.344 178.909 176.600 -0.059 0.000 1.048 107 K CA 1.757 58.022 56.287 -0.036 0.000 0.927 107 K CB -0.181 32.298 32.500 -0.035 0.000 0.712 107 K HN 0.661 nan 8.250 nan 0.000 0.441 108 Q N -0.276 119.462 119.800 -0.104 0.000 2.437 108 Q HA -0.049 4.291 4.340 0.001 0.000 0.210 108 Q C 0.952 176.870 176.000 -0.136 0.000 0.972 108 Q CA 0.902 56.623 55.803 -0.138 0.000 0.903 108 Q CB 0.264 28.874 28.738 -0.213 0.000 0.967 108 Q HN 0.310 nan 8.270 nan 0.000 0.486 109 A N -0.644 122.112 122.820 -0.106 0.000 2.508 109 A HA 0.238 4.559 4.320 0.001 0.000 0.257 109 A C 0.121 177.711 177.584 0.010 0.000 1.226 109 A CA 0.100 52.113 52.037 -0.039 0.000 0.947 109 A CB 0.022 19.017 19.000 -0.008 0.000 1.079 109 A HN 0.596 nan 8.150 nan 0.000 0.531 110 N N -1.005 117.694 118.700 -0.002 0.000 2.776 110 N HA -0.136 4.605 4.740 0.001 0.000 0.249 110 N C -0.565 174.960 175.510 0.025 0.000 1.111 110 N CA 0.460 53.517 53.050 0.012 0.000 0.711 110 N CB -1.153 37.344 38.487 0.017 0.000 1.065 110 N HN 0.217 nan 8.380 nan 0.000 0.556 111 V N 1.083 121.015 119.914 0.029 0.000 2.508 111 V HA 0.076 4.197 4.120 0.001 0.000 0.281 111 V C 1.087 177.205 176.094 0.039 0.000 1.041 111 V CA 0.810 63.138 62.300 0.047 0.000 1.016 111 V CB 1.266 33.127 31.823 0.065 0.000 0.984 111 V HN 0.346 nan 8.190 nan 0.000 0.478 112 D N 2.417 122.842 120.400 0.042 0.000 2.433 112 D HA 0.471 5.111 4.640 0.001 0.000 0.211 112 D C 0.297 176.620 176.300 0.038 0.000 1.114 112 D CA 0.374 54.394 54.000 0.033 0.000 0.837 112 D CB 0.633 41.451 40.800 0.029 0.000 0.984 112 D HN 0.672 nan 8.370 nan 0.000 0.505 113 A N 0.556 123.406 122.820 0.050 0.000 2.459 113 A HA 0.651 4.972 4.320 0.001 0.000 0.296 113 A C -1.425 176.200 177.584 0.068 0.000 1.039 113 A CA -0.743 51.322 52.037 0.046 0.000 0.698 113 A CB 1.189 20.212 19.000 0.038 0.000 1.261 113 A HN 0.188 nan 8.150 nan 0.000 0.405 114 I N 3.044 123.648 120.570 0.057 0.000 2.418 114 I HA 0.273 4.444 4.170 0.001 0.000 0.287 114 I C -0.538 175.586 176.117 0.012 0.000 1.008 114 I CA -0.565 60.798 61.300 0.105 0.000 1.104 114 I CB 1.689 39.812 38.000 0.205 0.000 1.264 114 I HN 0.721 nan 8.210 nan 0.000 0.438 115 H N 8.717 127.763 119.070 -0.039 0.000 2.604 115 H HA 0.265 4.821 4.556 0.001 0.000 0.306 115 H C -1.879 173.403 175.328 -0.076 0.000 1.075 115 H CA -1.979 53.991 56.048 -0.129 0.000 1.357 115 H CB 1.946 31.624 29.762 -0.140 0.000 1.426 115 H HN 0.348 nan 8.280 nan 0.000 0.470 116 P HA 0.027 nan 4.420 nan 0.000 0.225 116 P C 0.869 178.255 177.300 0.142 0.000 1.156 116 P CA 1.329 64.534 63.100 0.175 0.000 0.787 116 P CB 0.876 32.708 31.700 0.220 0.000 0.802 117 G N 0.595 109.531 108.800 0.228 0.000 2.523 117 G HA2 -0.211 3.749 3.960 0.001 0.000 0.271 117 G HA3 -0.211 3.749 3.960 0.001 0.000 0.271 117 G C -0.867 174.050 174.900 0.029 0.000 1.146 117 G CA 0.239 45.297 45.100 -0.069 0.000 0.961 117 G HN 0.445 nan 8.290 nan 0.000 0.549 118 Y N -2.040 118.332 120.300 0.121 0.000 2.479 118 Y HA 0.596 5.147 4.550 0.000 0.000 0.338 118 Y C 0.632 176.599 175.900 0.110 0.000 1.055 118 Y CA -1.180 56.988 58.100 0.112 0.000 1.023 118 Y CB 1.331 39.834 38.460 0.072 0.000 1.287 118 Y HN 2.525 nan 8.280 nan 0.000 0.447 119 G N 1.139 110.107 108.800 0.280 0.000 2.298 119 G HA2 -0.272 3.688 3.960 0.001 0.000 0.287 119 G HA3 -0.272 3.688 3.960 0.001 0.000 0.287 119 G C -0.807 173.986 174.900 -0.178 0.000 1.075 119 G CA 0.930 46.066 45.100 0.061 0.000 0.960 119 G HN 0.733 nan 8.290 nan 0.000 0.502 120 F N -1.742 118.257 119.950 0.081 0.000 1.855 120 F HA 0.386 4.913 4.527 0.000 0.000 0.228 120 F C 1.821 177.638 175.800 0.029 0.000 1.236 120 F CA 0.353 58.380 58.000 0.045 0.000 1.308 120 F CB 0.039 39.041 39.000 0.004 0.000 1.877 120 F HN 0.053 nan 8.300 nan 0.000 0.272 121 L N 0.317 121.674 121.223 0.224 0.000 2.959 121 L HA 0.192 4.532 4.340 0.001 0.000 0.259 121 L C 1.706 178.744 176.870 0.280 0.000 1.185 121 L CA 0.372 55.275 54.840 0.105 0.000 0.998 121 L CB 0.118 41.986 42.059 -0.318 0.000 1.337 121 L HN 0.222 nan 8.230 nan 0.000 0.555 122 S N -0.401 115.476 115.700 0.295 0.000 2.419 122 S HA -0.166 4.304 4.470 0.001 0.000 0.235 122 S C 1.230 176.048 174.600 0.362 0.000 1.019 122 S CA 1.108 59.519 58.200 0.353 0.000 0.982 122 S CB -0.141 63.225 63.200 0.276 0.000 0.789 122 S HN 0.554 nan 8.310 nan 0.000 0.490 123 E N 0.838 121.196 120.200 0.265 0.000 2.624 123 E HA 0.258 4.608 4.350 0.001 0.000 0.210 123 E C -0.544 176.162 176.600 0.177 0.000 0.997 123 E CA -0.368 56.165 56.400 0.221 0.000 0.999 123 E CB 0.227 30.031 29.700 0.173 0.000 1.040 123 E HN 0.327 nan 8.360 nan 0.000 0.469 124 N N 1.413 120.228 118.700 0.192 0.000 2.419 124 N HA 0.026 4.767 4.740 0.001 0.000 0.264 124 N C 0.402 175.962 175.510 0.084 0.000 1.031 124 N CA 0.214 53.352 53.050 0.147 0.000 0.951 124 N CB 1.281 39.876 38.487 0.178 0.000 1.101 124 N HN 0.005 nan 8.380 nan 0.000 0.488 125 E N 1.847 122.075 120.200 0.047 0.000 2.047 125 E HA -0.114 4.236 4.350 0.001 0.000 0.191 125 E C 1.456 178.036 176.600 -0.033 0.000 0.987 125 E CA 1.261 57.653 56.400 -0.013 0.000 0.799 125 E CB 0.140 29.840 29.700 0.001 0.000 0.752 125 E HN 0.588 nan 8.360 nan 0.000 0.449 126 Q N -0.411 119.404 119.800 0.024 0.000 2.084 126 Q HA -0.165 4.175 4.340 0.001 0.000 0.202 126 Q C 2.175 178.202 176.000 0.046 0.000 0.978 126 Q CA 1.072 56.893 55.803 0.030 0.000 0.844 126 Q CB -0.352 28.422 28.738 0.060 0.000 0.898 126 Q HN 0.317 nan 8.270 nan 0.000 0.426 127 F N 1.124 121.038 119.950 -0.059 0.000 2.113 127 F HA -0.114 4.413 4.527 0.001 0.000 0.297 127 F C 2.177 177.896 175.800 -0.135 0.000 1.103 127 F CA 1.358 59.332 58.000 -0.044 0.000 1.248 127 F CB -0.425 38.593 39.000 0.031 0.000 0.999 127 F HN 0.017 nan 8.300 nan 0.000 0.475 128 A N 0.885 123.399 122.820 -0.511 0.000 1.898 128 A HA -0.181 4.140 4.320 0.001 0.000 0.216 128 A C 2.429 179.728 177.584 -0.476 0.000 1.181 128 A CA 1.589 53.071 52.037 -0.924 0.000 0.620 128 A CB -0.921 17.209 19.000 -1.450 0.000 0.819 128 A HN 0.491 nan 8.150 nan 0.000 0.442 129 R N -0.633 119.690 120.500 -0.295 0.000 2.094 129 R HA -0.181 4.159 4.340 0.001 0.000 0.239 129 R C 2.123 178.331 176.300 -0.155 0.000 1.137 129 R CA 1.667 57.663 56.100 -0.174 0.000 0.943 129 R CB -0.279 29.956 30.300 -0.110 0.000 0.850 129 R HN 0.328 nan 8.270 nan 0.000 0.433 130 R N 0.230 120.633 120.500 -0.161 0.000 2.152 130 R HA -0.088 4.252 4.340 0.001 0.000 0.232 130 R C 2.311 178.522 176.300 -0.149 0.000 1.117 130 R CA 1.142 57.169 56.100 -0.122 0.000 0.981 130 R CB -0.896 29.361 30.300 -0.072 0.000 0.870 130 R HN 0.406 nan 8.270 nan 0.000 0.451 131 C N 0.154 119.309 119.300 -0.241 0.000 2.462 131 C HA -0.011 4.450 4.460 0.001 0.000 0.278 131 C C 2.850 177.785 174.990 -0.091 0.000 1.253 131 C CA 0.912 59.817 59.018 -0.188 0.000 1.713 131 C CB -1.015 26.590 27.740 -0.225 0.000 2.049 131 C HN 0.527 nan 8.230 nan 0.000 0.477 132 A N 0.070 122.841 122.820 -0.081 0.000 2.066 132 A HA -0.115 4.205 4.320 0.001 0.000 0.218 132 A C 1.897 179.453 177.584 -0.046 0.000 1.157 132 A CA 1.065 53.076 52.037 -0.043 0.000 0.670 132 A CB -0.551 18.430 19.000 -0.032 0.000 0.804 132 A HN 0.725 nan 8.150 nan 0.000 0.453 133 E N -0.378 119.786 120.200 -0.060 0.000 2.418 133 E HA -0.079 4.272 4.350 0.001 0.000 0.197 133 E C 0.762 177.339 176.600 -0.038 0.000 1.026 133 E CA 0.513 56.885 56.400 -0.048 0.000 0.862 133 E CB 0.131 29.800 29.700 -0.051 0.000 0.799 133 E HN 0.504 nan 8.360 nan 0.000 0.518 134 E N -0.732 119.444 120.200 -0.040 0.000 2.562 134 E HA 0.090 4.440 4.350 0.001 0.000 0.214 134 E C 0.663 177.250 176.600 -0.021 0.000 0.979 134 E CA 0.198 56.580 56.400 -0.029 0.000 1.002 134 E CB 1.396 31.077 29.700 -0.032 0.000 1.048 134 E HN 0.278 nan 8.360 nan 0.000 0.488 135 G N 2.107 110.895 108.800 -0.020 0.000 2.176 135 G HA2 -0.274 3.687 3.960 0.001 0.000 0.252 135 G HA3 -0.274 3.687 3.960 0.001 0.000 0.252 135 G C 0.178 175.077 174.900 -0.002 0.000 1.024 135 G CA 0.328 45.422 45.100 -0.010 0.000 0.755 135 G HN 0.226 nan 8.290 nan 0.000 0.507 136 I N -0.339 120.228 120.570 -0.006 0.000 2.433 136 I HA 0.416 4.587 4.170 0.001 0.000 0.292 136 I C 0.263 176.392 176.117 0.020 0.000 1.001 136 I CA -1.290 60.013 61.300 0.006 0.000 1.119 136 I CB 1.835 39.834 38.000 -0.001 0.000 1.289 136 I HN -0.052 nan 8.210 nan 0.000 0.438 137 K N 5.842 126.263 120.400 0.036 0.000 2.339 137 K HA 0.231 4.551 4.320 0.001 0.000 0.286 137 K C -1.050 175.596 176.600 0.076 0.000 1.050 137 K CA 0.031 56.352 56.287 0.056 0.000 0.956 137 K CB 0.316 32.840 32.500 0.040 0.000 0.990 137 K HN 0.392 nan 8.250 nan 0.000 0.475 138 F N 6.384 126.300 119.950 -0.057 0.000 2.404 138 F HA 0.367 4.894 4.527 0.000 0.000 0.358 138 F C 0.005 175.762 175.800 -0.071 0.000 1.120 138 F CA -0.740 57.216 58.000 -0.073 0.000 1.144 138 F CB 0.353 39.296 39.000 -0.095 0.000 1.133 138 F HN 0.472 nan 8.300 nan 0.000 0.495 139 I N 7.553 127.737 120.570 -0.643 0.000 2.501 139 I HA 0.277 4.447 4.170 0.001 0.000 0.305 139 I C 0.734 176.368 176.117 -0.805 0.000 1.197 139 I CA 0.388 61.321 61.300 -0.612 0.000 1.793 139 I CB -1.230 36.414 38.000 -0.593 0.000 1.521 139 I HN 0.798 nan 8.210 nan 0.000 0.843 140 G N 6.208 114.720 108.800 -0.481 0.000 2.427 140 G HA2 0.372 4.333 3.960 0.001 0.000 0.306 140 G HA3 0.372 4.333 3.960 0.001 0.000 0.306 140 G C -3.183 171.688 174.900 -0.047 0.000 1.280 140 G CA -0.624 44.345 45.100 -0.217 0.000 0.837 140 G HN 0.100 nan 8.290 nan 0.000 0.482 141 P HA 0.223 nan 4.420 nan 0.000 0.274 141 P C -0.503 176.849 177.300 0.086 0.000 1.260 141 P CA -0.159 62.825 63.100 -0.193 0.000 0.793 141 P CB 0.425 31.945 31.700 -0.300 0.000 1.048 142 H N -0.615 118.646 119.070 0.319 0.000 2.597 142 H HA 0.081 4.637 4.556 0.001 0.000 0.370 142 H C 1.670 177.026 175.328 0.046 0.000 1.281 142 H CA -0.313 55.816 56.048 0.137 0.000 1.422 142 H CB -0.067 29.715 29.762 0.034 0.000 1.524 142 H HN 0.190 nan 8.280 nan 0.000 0.607 143 L N 0.674 121.956 121.223 0.097 0.000 2.043 143 L HA -0.227 4.114 4.340 0.001 0.000 0.212 143 L C 2.520 179.374 176.870 -0.026 0.000 1.075 143 L CA 1.960 56.793 54.840 -0.012 0.000 0.752 143 L CB -0.679 41.347 42.059 -0.056 0.000 0.891 143 L HN 0.732 nan 8.230 nan 0.000 0.432 144 E N -1.196 118.949 120.200 -0.091 0.000 2.274 144 E HA -0.235 4.115 4.350 0.001 0.000 0.194 144 E C 1.838 178.369 176.600 -0.115 0.000 0.996 144 E CA 1.190 57.507 56.400 -0.138 0.000 0.840 144 E CB -0.368 29.215 29.700 -0.194 0.000 0.772 144 E HN 0.585 nan 8.360 nan 0.000 0.491 145 H N 1.008 120.122 119.070 0.074 0.000 2.357 145 H HA 0.048 4.604 4.556 0.001 0.000 0.301 145 H C 2.385 177.834 175.328 0.203 0.000 1.082 145 H CA 1.229 57.375 56.048 0.165 0.000 1.342 145 H CB -0.073 29.827 29.762 0.231 0.000 1.389 145 H HN 0.196 nan 8.280 nan 0.000 0.511 146 L N 0.294 121.681 121.223 0.273 0.000 2.072 146 L HA -0.144 4.197 4.340 0.001 0.000 0.205 146 L C 2.372 179.320 176.870 0.131 0.000 1.079 146 L CA 1.428 56.403 54.840 0.225 0.000 0.752 146 L CB -0.267 41.878 42.059 0.144 0.000 0.906 146 L HN 0.180 nan 8.230 nan 0.000 0.436 147 D N -0.020 120.408 120.400 0.046 0.000 2.144 147 D HA -0.260 4.380 4.640 0.001 0.000 0.199 147 D C 2.308 178.574 176.300 -0.056 0.000 0.984 147 D CA 1.293 55.291 54.000 -0.003 0.000 0.834 147 D CB 0.048 40.828 40.800 -0.034 0.000 0.955 147 D HN 0.133 nan 8.370 nan 0.000 0.465 148 M N -1.194 118.313 119.600 -0.155 0.000 2.080 148 M HA -0.123 4.357 4.480 0.001 0.000 0.260 148 M C 0.817 176.825 176.300 -0.486 0.000 1.068 148 M CA 1.593 56.628 55.300 -0.442 0.000 1.109 148 M CB -0.039 32.084 32.600 -0.795 0.000 1.342 148 M HN 0.104 nan 8.290 nan 0.000 0.405 149 F N -2.328 117.698 119.950 0.127 0.000 2.682 149 F HA 0.311 4.838 4.527 0.000 0.000 0.308 149 F C 1.941 177.798 175.800 0.095 0.000 1.093 149 F CA -0.040 58.034 58.000 0.122 0.000 1.244 149 F CB -0.514 38.569 39.000 0.139 0.000 1.052 149 F HN 0.114 nan 8.300 nan 0.000 0.573 150 G N -0.255 108.664 108.800 0.199 0.000 2.453 150 G HA2 -0.218 3.742 3.960 0.001 0.000 0.215 150 G HA3 -0.218 3.742 3.960 0.001 0.000 0.215 150 G C 0.304 175.265 174.900 0.103 0.000 1.201 150 G CA 0.523 45.707 45.100 0.140 0.000 0.784 150 G HN 0.189 nan 8.290 nan 0.000 0.545 151 D N -0.171 120.276 120.400 0.077 0.000 2.389 151 D HA 0.175 4.815 4.640 0.001 0.000 0.247 151 D C 1.367 177.718 176.300 0.084 0.000 1.128 151 D CA -0.071 53.965 54.000 0.061 0.000 0.884 151 D CB 1.067 41.889 40.800 0.036 0.000 1.194 151 D HN 0.154 nan 8.370 nan 0.000 0.441 152 K N 1.984 122.427 120.400 0.072 0.000 2.296 152 K HA -0.006 4.315 4.320 0.001 0.000 0.200 152 K C 1.775 178.428 176.600 0.087 0.000 1.048 152 K CA 0.379 56.715 56.287 0.082 0.000 0.966 152 K CB 0.283 32.815 32.500 0.053 0.000 0.754 152 K HN 0.265 nan 8.250 nan 0.000 0.466 153 V N 1.431 121.383 119.914 0.063 0.000 2.379 153 V HA -0.208 3.912 4.120 0.001 0.000 0.245 153 V C 2.227 178.354 176.094 0.055 0.000 1.044 153 V CA 1.597 63.929 62.300 0.054 0.000 1.036 153 V CB -0.323 31.521 31.823 0.034 0.000 0.664 153 V HN 0.192 nan 8.190 nan 0.000 0.453 154 K N 0.781 121.207 120.400 0.043 0.000 2.057 154 K HA -0.055 4.265 4.320 0.001 0.000 0.206 154 K C 2.139 178.758 176.600 0.031 0.000 1.050 154 K CA 1.457 57.752 56.287 0.013 0.000 0.935 154 K CB -0.546 31.942 32.500 -0.021 0.000 0.715 154 K HN 0.405 nan 8.250 nan 0.000 0.439 155 A N 0.811 123.702 122.820 0.119 0.000 1.972 155 A HA -0.133 4.187 4.320 0.001 0.000 0.219 155 A C 1.992 179.745 177.584 0.281 0.000 1.169 155 A CA 1.153 53.355 52.037 0.276 0.000 0.635 155 A CB -0.406 18.874 19.000 0.466 0.000 0.810 155 A HN 0.146 nan 8.150 nan 0.000 0.446 156 R N -0.263 120.367 120.500 0.217 0.000 2.081 156 R HA -0.094 4.246 4.340 0.001 0.000 0.235 156 R C 2.136 178.485 176.300 0.082 0.000 1.131 156 R CA 1.983 58.192 56.100 0.182 0.000 0.960 156 R CB -1.338 29.044 30.300 0.137 0.000 0.856 156 R HN 0.619 nan 8.270 nan 0.000 0.436 157 T N -0.076 114.507 114.554 0.047 0.000 2.904 157 T HA -0.053 4.297 4.350 0.001 0.000 0.267 157 T C 1.723 176.409 174.700 -0.023 0.000 1.059 157 T CA 1.641 63.746 62.100 0.009 0.000 1.137 157 T CB -0.180 68.688 68.868 -0.000 0.000 0.879 157 T HN 0.286 nan 8.240 nan 0.000 0.467 158 T N 1.892 116.424 114.554 -0.036 0.000 2.942 158 T HA 0.170 4.520 4.350 0.001 0.000 0.265 158 T C 2.413 177.046 174.700 -0.112 0.000 1.062 158 T CA 0.818 62.880 62.100 -0.063 0.000 1.139 158 T CB -0.350 68.471 68.868 -0.077 0.000 0.883 158 T HN 0.441 nan 8.240 nan 0.000 0.468 159 A N 0.946 123.640 122.820 -0.211 0.000 2.066 159 A HA 0.168 4.488 4.320 0.001 0.000 0.218 159 A C 2.175 179.651 177.584 -0.180 0.000 1.157 159 A CA 0.533 52.341 52.037 -0.382 0.000 0.670 159 A CB -0.705 17.827 19.000 -0.780 0.000 0.804 159 A HN 0.504 nan 8.150 nan 0.000 0.453 160 I N -0.661 119.858 120.570 -0.086 0.000 2.226 160 I HA -0.186 3.984 4.170 0.001 0.000 0.245 160 I C 1.032 177.125 176.117 -0.041 0.000 1.100 160 I CA 1.133 62.411 61.300 -0.036 0.000 1.374 160 I CB -0.136 37.859 38.000 -0.008 0.000 1.057 160 I HN 0.063 nan 8.210 nan 0.000 0.413 161 K N 1.215 121.587 120.400 -0.047 0.000 3.322 161 K HA 0.221 4.541 4.320 0.001 0.000 0.291 161 K C 0.313 176.881 176.600 -0.054 0.000 1.131 161 K CA 0.356 56.620 56.287 -0.039 0.000 1.185 161 K CB 0.057 32.540 32.500 -0.029 0.000 1.338 161 K HN 0.339 nan 8.250 nan 0.000 0.380 162 A N 0.910 123.688 122.820 -0.070 0.000 2.577 162 A HA 0.017 4.338 4.320 0.001 0.000 0.195 162 A C -0.784 176.748 177.584 -0.086 0.000 1.407 162 A CA -0.200 51.784 52.037 -0.088 0.000 1.056 162 A CB -0.389 18.530 19.000 -0.135 0.000 1.165 162 A HN 0.550 nan 8.150 nan 0.000 0.472 163 D N 0.223 120.589 120.400 -0.056 0.000 2.894 163 D HA -0.139 4.501 4.640 0.001 0.000 0.216 163 D C -0.338 175.943 176.300 -0.032 0.000 1.245 163 D CA 1.234 55.219 54.000 -0.025 0.000 0.728 163 D CB -1.974 38.827 40.800 0.001 0.000 0.924 163 D HN 0.522 nan 8.370 nan 0.000 0.395 164 L N 0.116 121.309 121.223 -0.050 0.000 2.305 164 L HA 0.576 4.916 4.340 0.001 0.000 0.284 164 L C -1.902 175.048 176.870 0.132 0.000 1.013 164 L CA -2.209 52.617 54.840 -0.024 0.000 0.819 164 L CB 1.653 43.659 42.059 -0.089 0.000 1.227 164 L HN 0.013 nan 8.230 nan 0.000 0.417 165 P HA 0.224 nan 4.420 nan 0.000 0.278 165 P C -0.061 177.563 177.300 0.541 0.000 1.238 165 P CA -0.315 62.976 63.100 0.317 0.000 0.794 165 P CB 2.519 34.355 31.700 0.226 0.000 0.955 166 V N 1.471 121.664 119.914 0.466 0.000 3.261 166 V HA 0.103 4.224 4.120 0.001 0.000 0.212 166 V C 1.405 177.608 176.094 0.181 0.000 1.381 166 V CA -0.025 62.497 62.300 0.370 0.000 1.322 166 V CB -0.734 31.255 31.823 0.276 0.000 1.188 166 V HN 0.376 nan 8.190 nan 0.000 0.520 167 I N 3.869 124.532 120.570 0.155 0.000 3.017 167 I HA -0.005 4.165 4.170 0.001 0.000 0.310 167 I C -0.979 175.139 176.117 0.002 0.000 1.220 167 I CA -0.527 60.817 61.300 0.073 0.000 1.450 167 I CB 0.311 38.362 38.000 0.085 0.000 1.317 167 I HN 0.352 nan 8.210 nan 0.000 0.570 240 D N 3.745 124.136 120.400 -0.014 0.000 2.362 240 D HA 0.085 4.725 4.640 0.001 0.000 0.242 240 D C -0.148 176.163 176.300 0.019 0.000 1.132 240 D CA 0.194 54.196 54.000 0.004 0.000 0.907 240 D CB 0.499 41.304 40.800 0.007 0.000 1.195 240 D HN 0.418 nan 8.370 nan 0.000 0.429 241 N N 1.042 119.761 118.700 0.031 0.000 2.823 241 N HA -0.171 4.569 4.740 0.001 0.000 0.287 241 N C -2.386 173.154 175.510 0.050 0.000 1.007 241 N CA -0.339 52.740 53.050 0.048 0.000 0.840 241 N CB -0.988 37.531 38.487 0.055 0.000 0.944 241 N HN 0.166 nan 8.380 nan 0.000 0.590 242 P HA 0.246 nan 4.420 nan 0.000 0.286 242 P C -0.540 176.809 177.300 0.080 0.000 1.261 242 P CA -0.411 62.729 63.100 0.066 0.000 0.821 242 P CB 1.377 33.117 31.700 0.066 0.000 1.013 243 K N 1.552 121.991 120.400 0.065 0.000 2.156 243 K HA 0.268 4.588 4.320 0.001 0.000 0.271 243 K C -0.829 175.835 176.600 0.107 0.000 0.995 243 K CA -0.613 55.702 56.287 0.047 0.000 0.890 243 K CB 0.412 32.884 32.500 -0.047 0.000 1.073 243 K HN 0.535 nan 8.250 nan 0.000 0.454 244 H N 4.447 123.542 119.070 0.043 0.000 2.552 244 H HA 0.342 4.899 4.556 0.001 0.000 0.311 244 H C -0.868 174.501 175.328 0.068 0.000 1.071 244 H CA -0.472 55.618 56.048 0.069 0.000 1.307 244 H CB 0.450 30.254 29.762 0.071 0.000 1.416 244 H HN 0.341 nan 8.280 nan 0.000 0.464 245 I N 4.930 125.389 120.570 -0.185 0.000 2.582 245 I HA 0.228 4.399 4.170 0.001 0.000 0.292 245 I C -0.631 175.453 176.117 -0.054 0.000 1.066 245 I CA -0.818 60.452 61.300 -0.050 0.000 1.053 245 I CB 1.845 39.843 38.000 -0.004 0.000 1.241 245 I HN 0.775 nan 8.210 nan 0.000 0.421 246 E N 5.315 125.536 120.200 0.035 0.000 2.275 246 E HA 0.660 5.010 4.350 0.001 0.000 0.270 246 E C -1.689 174.973 176.600 0.104 0.000 0.882 246 E CA -0.810 55.630 56.400 0.067 0.000 0.758 246 E CB 2.486 32.204 29.700 0.031 0.000 1.195 246 E HN 0.192 nan 8.360 nan 0.000 0.419 247 V N 2.192 122.182 119.914 0.127 0.000 2.439 247 V HA 0.186 4.306 4.120 0.001 0.000 0.282 247 V C 0.039 176.174 176.094 0.068 0.000 1.039 247 V CA -0.739 61.620 62.300 0.097 0.000 0.913 247 V CB 1.120 32.985 31.823 0.071 0.000 0.983 247 V HN 0.733 nan 8.190 nan 0.000 0.460 248 Q N 3.721 123.578 119.800 0.095 0.000 2.288 248 Q HA 0.580 4.921 4.340 0.001 0.000 0.254 248 Q C -0.971 175.076 176.000 0.079 0.000 0.932 248 Q CA 0.038 55.892 55.803 0.085 0.000 0.902 248 Q CB 1.501 30.307 28.738 0.115 0.000 1.203 248 Q HN 0.637 nan 8.270 nan 0.000 0.415 249 V N 4.451 124.395 119.914 0.050 0.000 2.888 249 V HA 0.590 4.710 4.120 0.001 0.000 0.309 249 V C -0.857 175.284 176.094 0.079 0.000 1.114 249 V CA -0.936 61.395 62.300 0.051 0.000 0.940 249 V CB 2.036 33.851 31.823 -0.012 0.000 1.021 249 V HN 0.677 nan 8.190 nan 0.000 0.426 250 I N 2.118 122.737 120.570 0.081 0.000 2.533 250 I HA 0.805 4.975 4.170 0.001 0.000 0.290 250 I C 0.309 176.480 176.117 0.089 0.000 1.056 250 I CA -0.342 61.011 61.300 0.088 0.000 1.057 250 I CB 1.733 39.765 38.000 0.052 0.000 1.240 250 I HN 0.811 nan 8.210 nan 0.000 0.423 251 G N 4.355 113.212 108.800 0.095 0.000 2.566 251 G HA2 0.593 4.553 3.960 0.001 0.000 0.311 251 G HA3 0.593 4.553 3.960 0.001 0.000 0.311 251 G C -0.834 174.068 174.900 0.004 0.000 1.322 251 G CA -0.356 44.783 45.100 0.064 0.000 0.969 251 G HN 0.676 nan 8.290 nan 0.000 0.490 252 D N -0.178 120.238 120.400 0.026 0.000 2.511 252 D HA 0.191 4.832 4.640 0.001 0.000 0.276 252 D C 0.602 176.939 176.300 0.063 0.000 1.220 252 D CA -0.606 53.416 54.000 0.035 0.000 1.077 252 D CB 1.166 41.994 40.800 0.046 0.000 1.126 252 D HN 0.362 nan 8.370 nan 0.000 0.583 253 E N -1.872 118.411 120.200 0.138 0.000 2.479 253 E HA -0.022 4.328 4.350 0.001 0.000 0.193 253 E C 0.226 176.920 176.600 0.156 0.000 1.049 253 E CA 0.168 56.663 56.400 0.157 0.000 0.870 253 E CB -0.009 29.789 29.700 0.164 0.000 0.944 253 E HN 0.426 nan 8.360 nan 0.000 0.492 254 H N -0.385 118.706 119.070 0.035 0.000 2.505 254 H HA 0.208 4.765 4.556 0.001 0.000 0.289 254 H C 1.069 176.418 175.328 0.034 0.000 1.052 254 H CA 0.445 56.513 56.048 0.033 0.000 1.156 254 H CB 0.748 30.524 29.762 0.024 0.000 1.507 254 H HN 0.269 nan 8.280 nan 0.000 0.548 255 G N 0.625 109.500 108.800 0.126 0.000 2.148 255 G HA2 -0.310 3.650 3.960 0.001 0.000 0.254 255 G HA3 -0.310 3.650 3.960 0.001 0.000 0.254 255 G C -0.289 174.662 174.900 0.084 0.000 0.981 255 G CA -0.036 45.119 45.100 0.092 0.000 0.670 255 G HN 0.476 nan 8.290 nan 0.000 0.528 256 N N -0.146 118.607 118.700 0.087 0.000 2.419 256 N HA 0.692 5.432 4.740 0.001 0.000 0.277 256 N C -0.343 175.200 175.510 0.056 0.000 1.006 256 N CA -0.373 52.714 53.050 0.061 0.000 0.923 256 N CB 1.457 39.972 38.487 0.048 0.000 1.140 256 N HN 0.290 nan 8.380 nan 0.000 0.488 257 I N 1.853 122.454 120.570 0.052 0.000 2.534 257 I HA 0.457 4.627 4.170 0.001 0.000 0.288 257 I C -0.696 175.445 176.117 0.040 0.000 1.077 257 I CA -1.127 60.208 61.300 0.058 0.000 1.051 257 I CB 1.678 39.729 38.000 0.085 0.000 1.234 257 I HN 0.203 nan 8.210 nan 0.000 0.425 258 V N 1.483 121.414 119.914 0.028 0.000 3.040 258 V HA 0.677 4.797 4.120 0.001 0.000 0.312 258 V C -0.822 175.273 176.094 0.003 0.000 1.115 258 V CA -0.749 61.546 62.300 -0.009 0.000 0.998 258 V CB 1.712 33.496 31.823 -0.065 0.000 1.042 258 V HN 0.892 nan 8.190 nan 0.000 0.433 259 H N 2.025 121.036 119.070 -0.099 0.000 2.525 259 H HA 0.811 5.367 4.556 0.001 0.000 0.340 259 H C -0.624 174.605 175.328 -0.167 0.000 1.168 259 H CA -1.297 54.675 56.048 -0.127 0.000 1.247 259 H CB 1.749 31.409 29.762 -0.169 0.000 1.568 259 H HN 0.624 nan 8.280 nan 0.000 0.536 260 L N 3.269 124.479 121.223 -0.022 0.000 3.096 260 L HA 0.303 4.644 4.340 0.001 0.000 0.272 260 L C -0.850 176.194 176.870 0.291 0.000 1.311 260 L CA -0.451 54.416 54.840 0.046 0.000 0.943 260 L CB -0.868 41.256 42.059 0.108 0.000 1.348 260 L HN 0.619 nan 8.230 nan 0.000 0.562 261 F N -0.064 120.079 119.950 0.322 0.000 2.180 261 F HA -0.313 4.215 4.527 0.001 0.000 0.317 261 F C 0.882 176.761 175.800 0.130 0.000 0.129 261 F CA 1.044 59.185 58.000 0.236 0.000 0.910 261 F CB -0.457 38.617 39.000 0.124 0.000 4.124 261 F HN 0.467 nan 8.300 nan 0.000 0.145 262 E N 1.529 121.917 120.200 0.314 0.000 2.355 262 E HA 0.751 5.102 4.350 0.001 0.000 0.261 262 E C -1.312 175.372 176.600 0.141 0.000 0.943 262 E CA -1.109 55.394 56.400 0.171 0.000 0.806 262 E CB 1.938 31.704 29.700 0.111 0.000 1.286 262 E HN 0.612 nan 8.360 nan 0.000 0.424 263 R N 0.297 120.865 120.500 0.113 0.000 2.621 263 R HA 0.321 4.661 4.340 0.001 0.000 0.292 263 R C -0.994 175.369 176.300 0.105 0.000 0.969 263 R CA -0.840 55.326 56.100 0.111 0.000 0.887 263 R CB 1.463 31.834 30.300 0.118 0.000 1.180 263 R HN 0.472 nan 8.270 nan 0.000 0.450 264 D N 2.458 122.919 120.400 0.102 0.000 2.441 264 D HA 0.101 4.741 4.640 0.001 0.000 0.221 264 D C -0.127 176.299 176.300 0.210 0.000 1.156 264 D CA -0.282 53.778 54.000 0.101 0.000 0.896 264 D CB 0.604 41.412 40.800 0.013 0.000 1.028 264 D HN 0.530 nan 8.370 nan 0.000 0.509 265 C N 2.500 121.949 119.300 0.248 0.000 2.435 265 C HA 0.149 4.609 4.460 0.001 0.000 0.326 265 C C 2.150 177.298 174.990 0.263 0.000 1.328 265 C CA -0.456 58.721 59.018 0.266 0.000 1.741 265 C CB -1.491 26.431 27.740 0.304 0.000 1.998 265 C HN 0.492 nan 8.230 nan 0.000 0.585 266 S N 0.631 116.535 115.700 0.340 0.000 2.428 266 S HA -0.046 4.424 4.470 0.001 0.000 0.230 266 S C 0.992 175.821 174.600 0.381 0.000 1.014 266 S CA 0.679 59.090 58.200 0.352 0.000 0.957 266 S CB -0.046 63.321 63.200 0.279 0.000 0.784 266 S HN 0.562 nan 8.310 nan 0.000 0.499 267 V N 4.398 124.546 119.914 0.390 0.000 2.377 267 V HA 0.182 4.302 4.120 0.001 0.000 0.254 267 V C 0.066 176.258 176.094 0.162 0.000 1.060 267 V CA -0.005 62.444 62.300 0.248 0.000 1.068 267 V CB -0.946 30.954 31.823 0.128 0.000 1.113 267 V HN 0.487 nan 8.190 nan 0.000 0.484 268 Q N 3.362 123.239 119.800 0.129 0.000 2.377 268 Q HA 0.549 4.889 4.340 0.001 0.000 0.279 268 Q C 0.468 176.467 176.000 -0.001 0.000 1.049 268 Q CA -0.989 54.835 55.803 0.034 0.000 0.825 268 Q CB 2.248 30.966 28.738 -0.034 0.000 1.401 268 Q HN 0.260 nan 8.270 nan 0.000 0.404 269 R N 0.870 121.325 120.500 -0.075 0.000 2.070 269 R HA 0.023 4.363 4.340 0.001 0.000 0.227 269 R C 1.051 177.263 176.300 -0.146 0.000 1.147 269 R CA 1.959 57.974 56.100 -0.140 0.000 0.924 269 R CB 0.284 30.409 30.300 -0.292 0.000 0.827 269 R HN 0.858 nan 8.270 nan 0.000 0.431 270 R N -2.432 117.957 120.500 -0.185 0.000 3.040 270 R HA 0.088 4.429 4.340 0.001 0.000 0.097 270 R C 0.695 176.825 176.300 -0.283 0.000 0.899 270 R CA -0.271 55.666 56.100 -0.271 0.000 0.710 270 R CB 0.211 30.316 30.300 -0.326 0.000 0.643 270 R HN 0.248 nan 8.270 nan 0.000 0.353 271 H N 0.801 119.818 119.070 -0.088 0.000 2.749 271 H HA 0.211 4.767 4.556 0.001 0.000 0.306 271 H C -0.522 174.752 175.328 -0.090 0.000 1.091 271 H CA 0.122 56.120 56.048 -0.084 0.000 1.180 271 H CB 0.201 29.923 29.762 -0.066 0.000 1.349 271 H HN 0.076 nan 8.280 nan 0.000 0.570 272 Q N 1.456 121.234 119.800 -0.038 0.000 2.309 272 Q HA 0.200 4.541 4.340 0.001 0.000 0.254 272 Q C -1.162 174.801 176.000 -0.061 0.000 0.938 272 Q CA -0.976 54.796 55.803 -0.051 0.000 0.789 272 Q CB 1.060 29.756 28.738 -0.071 0.000 1.313 272 Q HN 0.254 nan 8.270 nan 0.000 0.438 273 K N 2.018 122.390 120.400 -0.047 0.000 2.412 273 K HA 0.131 4.451 4.320 0.001 0.000 0.281 273 K C 0.263 176.868 176.600 0.008 0.000 1.027 273 K CA -0.127 56.144 56.287 -0.026 0.000 0.989 273 K CB 1.301 33.787 32.500 -0.023 0.000 0.935 273 K HN 0.374 nan 8.250 nan 0.000 0.475 274 V N 1.844 121.781 119.914 0.039 0.000 2.854 274 V HA 0.056 4.176 4.120 0.001 0.000 0.236 274 V C 0.051 176.179 176.094 0.057 0.000 1.157 274 V CA 0.113 62.454 62.300 0.068 0.000 1.187 274 V CB 0.864 32.760 31.823 0.121 0.000 0.949 274 V HN 0.465 nan 8.190 nan 0.000 0.488 275 V N 1.430 121.381 119.914 0.062 0.000 2.482 275 V HA 0.503 4.623 4.120 0.001 0.000 0.295 275 V C -0.960 175.220 176.094 0.144 0.000 1.026 275 V CA -0.581 61.751 62.300 0.054 0.000 0.856 275 V CB 1.760 33.547 31.823 -0.060 0.000 1.001 275 V HN 0.377 nan 8.190 nan 0.000 0.424 276 E N 2.749 123.035 120.200 0.143 0.000 2.248 276 E HA 0.764 5.114 4.350 0.001 0.000 0.272 276 E C -1.014 175.717 176.600 0.219 0.000 1.008 276 E CA -0.409 56.097 56.400 0.176 0.000 0.856 276 E CB 2.262 32.036 29.700 0.123 0.000 1.120 276 E HN 0.434 nan 8.360 nan 0.000 0.397 277 V N 1.247 121.294 119.914 0.221 0.000 2.623 277 V HA 0.762 4.882 4.120 0.001 0.000 0.304 277 V C -1.041 175.134 176.094 0.135 0.000 1.054 277 V CA -0.802 61.622 62.300 0.207 0.000 0.882 277 V CB 1.726 33.667 31.823 0.196 0.000 1.002 277 V HN 0.731 nan 8.190 nan 0.000 0.424 278 A N 7.204 130.111 122.820 0.145 0.000 2.374 278 A HA 0.992 5.312 4.320 0.001 0.000 0.305 278 A C -2.902 174.776 177.584 0.157 0.000 1.053 278 A CA -1.689 50.421 52.037 0.123 0.000 0.726 278 A CB 2.145 21.208 19.000 0.105 0.000 1.229 278 A HN 0.540 nan 8.150 nan 0.000 0.431 279 P HA 0.144 nan 4.420 nan 0.000 0.277 279 P C 0.249 177.580 177.300 0.051 0.000 1.276 279 P CA -0.236 62.912 63.100 0.080 0.000 0.788 279 P CB 0.674 32.376 31.700 0.002 0.000 1.114 280 S N -0.462 115.239 115.700 0.002 0.000 2.488 280 S HA 0.201 4.672 4.470 0.001 0.000 0.278 280 S C -0.152 174.350 174.600 -0.163 0.000 1.259 280 S CA -0.577 57.568 58.200 -0.091 0.000 1.061 280 S CB -0.920 62.233 63.200 -0.079 0.000 0.910 280 S HN 0.156 nan 8.310 nan 0.000 0.491 281 V N 5.448 125.154 119.914 -0.347 0.000 2.406 281 V HA 0.703 4.823 4.120 0.001 0.000 0.272 281 V C 1.438 177.315 176.094 -0.362 0.000 1.043 281 V CA 0.293 62.320 62.300 -0.454 0.000 0.915 281 V CB 0.260 31.505 31.823 -0.964 0.000 0.988 281 V HN 1.195 nan 8.190 nan 0.000 0.466 282 G N 4.135 112.789 108.800 -0.243 0.000 2.481 282 G HA2 -0.153 3.808 3.960 0.001 0.000 0.200 282 G HA3 -0.153 3.808 3.960 0.001 0.000 0.200 282 G C -0.009 174.805 174.900 -0.142 0.000 1.012 282 G CA -0.583 44.400 45.100 -0.195 0.000 0.676 282 G HN 0.530 nan 8.290 nan 0.000 0.488 283 L N 3.445 124.586 121.223 -0.137 0.000 2.361 283 L HA 0.477 4.817 4.340 0.001 0.000 0.278 283 L C 1.384 178.212 176.870 -0.069 0.000 1.113 283 L CA -0.026 54.754 54.840 -0.100 0.000 0.849 283 L CB 1.221 43.223 42.059 -0.095 0.000 1.155 283 L HN 0.497 nan 8.230 nan 0.000 0.452 284 S N 3.160 118.823 115.700 -0.060 0.000 2.566 284 S HA 0.104 4.574 4.470 0.001 0.000 0.280 284 S C -1.683 172.899 174.600 -0.030 0.000 1.343 284 S CA -1.078 57.096 58.200 -0.043 0.000 1.036 284 S CB 0.552 63.726 63.200 -0.042 0.000 0.866 284 S HN 0.433 nan 8.310 nan 0.000 0.526 285 P HA -0.237 nan 4.420 nan 0.000 0.216 285 P C 1.869 179.171 177.300 0.003 0.000 1.167 285 P CA 2.549 65.649 63.100 0.000 0.000 0.933 285 P CB -0.619 31.082 31.700 0.001 0.000 0.793 286 T N -3.512 111.037 114.554 -0.009 0.000 3.035 286 T HA -0.048 4.303 4.350 0.001 0.000 0.268 286 T C 1.857 176.540 174.700 -0.028 0.000 1.109 286 T CA 0.491 62.584 62.100 -0.013 0.000 1.119 286 T CB -1.066 67.791 68.868 -0.018 0.000 0.900 286 T HN -0.009 nan 8.240 nan 0.000 0.503 287 L N 1.520 122.718 121.223 -0.041 0.000 2.017 287 L HA -0.092 4.249 4.340 0.001 0.000 0.208 287 L C 3.208 180.044 176.870 -0.058 0.000 1.073 287 L CA 1.726 56.527 54.840 -0.064 0.000 0.745 287 L CB -0.255 41.760 42.059 -0.073 0.000 0.894 287 L HN 0.361 nan 8.230 nan 0.000 0.432 288 R N -1.196 119.281 120.500 -0.038 0.000 2.115 288 R HA -0.136 4.204 4.340 0.001 0.000 0.226 288 R C 1.934 178.213 176.300 -0.035 0.000 1.100 288 R CA 0.686 56.768 56.100 -0.031 0.000 0.980 288 R CB -0.613 29.697 30.300 0.016 0.000 0.875 288 R HN 0.419 nan 8.270 nan 0.000 0.445 289 Q N 1.264 121.058 119.800 -0.010 0.000 2.096 289 Q HA -0.103 4.238 4.340 0.001 0.000 0.204 289 Q C 2.144 178.105 176.000 -0.066 0.000 0.982 289 Q CA 1.717 57.509 55.803 -0.018 0.000 0.850 289 Q CB -0.161 28.584 28.738 0.011 0.000 0.901 289 Q HN 0.500 nan 8.270 nan 0.000 0.422 290 R N -0.160 120.318 120.500 -0.037 0.000 2.090 290 R HA 0.013 4.354 4.340 0.001 0.000 0.228 290 R C 2.400 178.653 176.300 -0.079 0.000 1.110 290 R CA 0.748 56.849 56.100 0.001 0.000 0.973 290 R CB -0.214 30.157 30.300 0.118 0.000 0.869 290 R HN 0.246 nan 8.270 nan 0.000 0.440 291 I N 0.113 120.605 120.570 -0.131 0.000 2.315 291 I HA -0.318 3.852 4.170 0.001 0.000 0.248 291 I C 2.321 178.188 176.117 -0.415 0.000 1.117 291 I CA 0.904 61.968 61.300 -0.394 0.000 1.404 291 I CB -0.357 37.411 38.000 -0.386 0.000 1.071 291 I HN 0.219 nan 8.210 nan 0.000 0.419 292 C N 0.780 119.888 119.300 -0.320 0.000 2.436 292 C HA -0.179 4.282 4.460 0.001 0.000 0.277 292 C C 2.485 177.222 174.990 -0.421 0.000 1.241 292 C CA 0.950 59.683 59.018 -0.476 0.000 1.721 292 C CB -0.983 26.342 27.740 -0.691 0.000 2.043 292 C HN 0.513 nan 8.230 nan 0.000 0.472 293 D N 0.834 121.058 120.400 -0.292 0.000 2.144 293 D HA -0.071 4.569 4.640 0.001 0.000 0.199 293 D C 2.252 178.440 176.300 -0.187 0.000 0.984 293 D CA 1.560 55.444 54.000 -0.193 0.000 0.834 293 D CB -0.520 40.209 40.800 -0.120 0.000 0.955 293 D HN 0.500 nan 8.370 nan 0.000 0.465 294 A N 0.939 123.602 122.820 -0.262 0.000 1.908 294 A HA -0.097 4.223 4.320 0.001 0.000 0.218 294 A C 2.306 179.848 177.584 -0.071 0.000 1.181 294 A CA 2.312 54.175 52.037 -0.289 0.000 0.627 294 A CB -0.745 17.880 19.000 -0.626 0.000 0.818 294 A HN 0.247 nan 8.150 nan 0.000 0.445 295 A N 0.042 122.861 122.820 -0.002 0.000 1.877 295 A HA -0.050 4.271 4.320 0.001 0.000 0.216 295 A C 2.025 179.575 177.584 -0.056 0.000 1.186 295 A CA 1.590 53.654 52.037 0.045 0.000 0.620 295 A CB -0.514 18.520 19.000 0.056 0.000 0.822 295 A HN 0.407 nan 8.150 nan 0.000 0.443 296 I N -0.087 120.434 120.570 -0.082 0.000 2.208 296 I HA -0.277 3.893 4.170 0.001 0.000 0.245 296 I C 2.626 178.718 176.117 -0.042 0.000 1.097 296 I CA 1.902 63.172 61.300 -0.049 0.000 1.363 296 I CB -1.531 36.449 38.000 -0.034 0.000 1.051 296 I HN 0.539 nan 8.210 nan 0.000 0.413 297 Q N 0.401 120.163 119.800 -0.064 0.000 2.112 297 Q HA -0.257 4.084 4.340 0.001 0.000 0.206 297 Q C 2.312 178.279 176.000 -0.054 0.000 0.987 297 Q CA 1.864 57.630 55.803 -0.061 0.000 0.858 297 Q CB -0.075 28.607 28.738 -0.093 0.000 0.905 297 Q HN 0.429 nan 8.270 nan 0.000 0.420 298 L N -0.450 120.728 121.223 -0.074 0.000 2.007 298 L HA -0.164 4.176 4.340 0.001 0.000 0.205 298 L C 2.102 178.963 176.870 -0.016 0.000 1.073 298 L CA 1.642 56.436 54.840 -0.077 0.000 0.744 298 L CB -0.413 41.556 42.059 -0.151 0.000 0.898 298 L HN 0.248 nan 8.230 nan 0.000 0.435 299 M N -0.511 119.063 119.600 -0.043 0.000 2.099 299 M HA -0.134 4.347 4.480 0.001 0.000 0.262 299 M C 2.273 178.628 176.300 0.091 0.000 1.067 299 M CA 1.401 56.694 55.300 -0.010 0.000 1.124 299 M CB -1.523 31.004 32.600 -0.123 0.000 1.353 299 M HN 0.379 nan 8.290 nan 0.000 0.410 300 E N 0.502 120.737 120.200 0.057 0.000 2.160 300 E HA -0.222 4.129 4.350 0.001 0.000 0.195 300 E C 1.671 178.317 176.600 0.077 0.000 0.991 300 E CA 1.237 57.680 56.400 0.071 0.000 0.810 300 E CB -0.267 29.458 29.700 0.042 0.000 0.742 300 E HN 0.529 nan 8.360 nan 0.000 0.466 301 N N 0.562 119.298 118.700 0.061 0.000 2.166 301 N HA -0.165 4.576 4.740 0.001 0.000 0.186 301 N C 1.779 177.347 175.510 0.096 0.000 1.019 301 N CA 1.671 54.755 53.050 0.057 0.000 0.856 301 N CB -0.145 38.358 38.487 0.027 0.000 0.993 301 N HN 0.248 nan 8.380 nan 0.000 0.426 302 I N -2.666 117.996 120.570 0.154 0.000 3.861 302 I HA 0.315 4.486 4.170 0.001 0.000 0.329 302 I C -0.369 175.958 176.117 0.351 0.000 1.321 302 I CA -0.133 61.303 61.300 0.228 0.000 1.126 302 I CB -0.298 37.874 38.000 0.287 0.000 1.018 302 I HN -0.060 nan 8.210 nan 0.000 0.407 303 K N 0.255 120.819 120.400 0.273 0.000 3.162 303 K HA -0.281 4.039 4.320 0.001 0.000 0.268 303 K C -0.427 176.377 176.600 0.340 0.000 1.062 303 K CA 0.447 56.902 56.287 0.280 0.000 0.769 303 K CB -2.343 30.304 32.500 0.245 0.000 1.274 303 K HN 0.589 nan 8.250 nan 0.000 0.478 304 Y N 0.516 120.852 120.300 0.060 0.000 2.442 304 Y HA 0.204 4.754 4.550 0.001 0.000 0.330 304 Y C 0.431 176.220 175.900 -0.184 0.000 1.129 304 Y CA -0.210 57.740 58.100 -0.250 0.000 1.365 304 Y CB 0.733 39.088 38.460 -0.174 0.000 1.233 304 Y HN -0.004 nan 8.280 nan 0.000 0.529 305 V N 6.878 126.240 119.914 -0.921 0.000 2.628 305 V HA 0.318 4.438 4.120 0.001 0.000 0.306 305 V C 0.052 175.730 176.094 -0.693 0.000 1.045 305 V CA -1.157 60.793 62.300 -0.583 0.000 0.905 305 V CB 1.401 32.891 31.823 -0.554 0.000 0.997 305 V HN 1.092 nan 8.190 nan 0.000 0.436 306 N N 1.092 119.603 118.700 -0.315 0.000 6.832 306 N HA -0.179 4.561 4.740 0.001 0.000 0.417 306 N C -0.212 175.285 175.510 -0.023 0.000 0.938 306 N CA 0.837 53.779 53.050 -0.182 0.000 1.317 306 N CB -0.284 38.074 38.487 -0.215 0.000 0.820 306 N HN 1.170 nan 8.380 nan 0.000 0.305 307 A N 0.122 122.963 122.820 0.034 0.000 2.362 307 A HA 0.623 4.944 4.320 0.001 0.000 0.276 307 A C 0.783 178.507 177.584 0.234 0.000 1.153 307 A CA 0.821 52.936 52.037 0.130 0.000 0.813 307 A CB 0.282 19.326 19.000 0.073 0.000 1.081 307 A HN 0.870 nan 8.150 nan 0.000 0.507 308 G N 0.387 109.336 108.800 0.249 0.000 2.694 308 G HA2 0.651 4.611 3.960 0.001 0.000 0.290 308 G HA3 0.651 4.611 3.960 0.001 0.000 0.290 308 G C -0.987 173.870 174.900 -0.073 0.000 1.386 308 G CA -0.444 44.706 45.100 0.084 0.000 0.872 308 G HN 0.715 nan 8.290 nan 0.000 0.475 309 T N 0.039 114.515 114.554 -0.132 0.000 2.881 309 T HA 0.504 4.855 4.350 0.001 0.000 0.290 309 T C -0.678 173.899 174.700 -0.205 0.000 1.000 309 T CA -0.360 61.672 62.100 -0.113 0.000 0.978 309 T CB 1.852 70.700 68.868 -0.034 0.000 0.997 309 T HN 0.431 nan 8.240 nan 0.000 0.443 310 V N 3.409 123.215 119.914 -0.180 0.000 2.311 310 V HA 0.305 4.425 4.120 0.001 0.000 0.275 310 V C 0.522 176.435 176.094 -0.301 0.000 1.022 310 V CA -0.750 61.393 62.300 -0.262 0.000 0.830 310 V CB 0.850 32.554 31.823 -0.198 0.000 1.012 310 V HN 0.830 nan 8.190 nan 0.000 0.452 311 E N 3.076 123.028 120.200 -0.414 0.000 2.373 311 E HA 0.546 4.896 4.350 0.001 0.000 0.263 311 E C -1.119 175.066 176.600 -0.692 0.000 1.073 311 E CA 0.065 56.224 56.400 -0.402 0.000 0.894 311 E CB 1.147 30.672 29.700 -0.291 0.000 1.008 311 E HN 0.529 nan 8.360 nan 0.000 0.420 312 F N 0.433 120.213 119.950 -0.284 0.000 2.894 312 F HA 0.533 5.060 4.527 0.001 0.000 0.332 312 F C -0.985 174.717 175.800 -0.163 0.000 1.192 312 F CA -0.938 56.970 58.000 -0.152 0.000 0.980 312 F CB 1.052 40.020 39.000 -0.053 0.000 1.448 312 F HN 0.208 nan 8.300 nan 0.000 0.514 313 L N 1.118 122.516 121.223 0.292 0.000 2.505 313 L HA 0.677 5.018 4.340 0.001 0.000 0.266 313 L C -1.577 175.465 176.870 0.288 0.000 0.954 313 L CA -0.360 54.612 54.840 0.220 0.000 0.852 313 L CB 1.959 44.142 42.059 0.207 0.000 1.282 313 L HN 0.285 nan 8.230 nan 0.000 0.403 314 V N 3.192 123.208 119.914 0.170 0.000 2.459 314 V HA 0.859 4.979 4.120 0.001 0.000 0.295 314 V C -0.100 176.060 176.094 0.110 0.000 1.029 314 V CA -0.236 62.136 62.300 0.121 0.000 0.874 314 V CB 1.624 33.460 31.823 0.022 0.000 0.985 314 V HN 0.814 nan 8.190 nan 0.000 0.438 318 D N 2.050 122.389 120.400 -0.102 0.000 2.804 318 D HA 0.244 4.884 4.640 0.001 0.000 0.308 318 D C -0.475 175.645 176.300 -0.300 0.000 1.371 318 D CA 0.096 53.995 54.000 -0.167 0.000 0.823 318 D CB 0.838 41.552 40.800 -0.144 0.000 1.126 318 D HN 0.626 nan 8.370 nan 0.000 0.467 319 E N 0.384 120.398 120.200 -0.309 0.000 2.275 319 E HA 0.365 4.716 4.350 0.001 0.000 0.270 319 E C -0.399 175.895 176.600 -0.510 0.000 0.882 319 E CA -0.969 55.080 56.400 -0.586 0.000 0.758 319 E CB 1.271 30.677 29.700 -0.491 0.000 1.195 319 E HN -0.177 nan 8.360 nan 0.000 0.419 320 F N 0.877 120.604 119.950 -0.372 0.000 2.406 320 F HA 0.653 5.180 4.527 0.001 0.000 0.327 320 F C -0.586 174.942 175.800 -0.454 0.000 1.153 320 F CA -1.434 56.381 58.000 -0.309 0.000 1.218 320 F CB 0.155 38.920 39.000 -0.392 0.000 1.215 320 F HN 0.373 nan 8.300 nan 0.000 0.570 321 F N 1.858 122.117 119.950 0.514 0.000 2.653 321 F HA 0.262 4.789 4.527 0.001 0.000 0.327 321 F C -0.725 175.341 175.800 0.444 0.000 1.195 321 F CA -0.941 57.314 58.000 0.425 0.000 0.993 321 F CB 1.420 40.560 39.000 0.233 0.000 1.259 321 F HN 0.561 nan 8.300 nan 0.000 0.478 322 F N 5.261 125.430 119.950 0.365 0.000 2.541 322 F HA 0.245 4.772 4.527 0.001 0.000 0.378 322 F C 0.157 175.935 175.800 -0.036 0.000 1.068 322 F CA 0.027 57.989 58.000 -0.064 0.000 1.199 322 F CB 0.469 39.406 39.000 -0.106 0.000 1.091 322 F HN 0.387 nan 8.300 nan 0.000 0.555 323 I N 3.796 123.847 120.570 -0.865 0.000 2.900 323 I HA 0.114 4.284 4.170 0.001 0.000 0.251 323 I C 0.419 175.953 176.117 -0.973 0.000 1.102 323 I CA 0.858 61.771 61.300 -0.645 0.000 1.457 323 I CB -0.817 37.011 38.000 -0.287 0.000 1.285 323 I HN 0.733 nan 8.210 nan 0.000 0.459 324 E N -0.276 119.250 120.200 -1.123 0.000 2.439 324 E HA 0.489 4.840 4.350 0.001 0.000 0.279 324 E C -1.708 174.577 176.600 -0.525 0.000 1.077 324 E CA -0.641 55.333 56.400 -0.710 0.000 0.849 324 E CB 2.504 32.033 29.700 -0.285 0.000 1.408 324 E HN -0.204 nan 8.360 nan 0.000 0.457 325 V N 1.643 121.392 119.914 -0.275 0.000 2.540 325 V HA 0.374 4.495 4.120 0.001 0.000 0.302 325 V C -0.988 174.988 176.094 -0.198 0.000 1.035 325 V CA -1.005 61.069 62.300 -0.377 0.000 0.873 325 V CB 1.715 32.946 31.823 -0.987 0.000 0.992 325 V HN 0.574 nan 8.190 nan 0.000 0.428 326 N N 6.486 125.094 118.700 -0.153 0.000 2.527 326 N HA 0.306 5.046 4.740 0.001 0.000 0.236 326 N C -2.429 173.093 175.510 0.021 0.000 0.999 326 N CA -1.409 51.624 53.050 -0.028 0.000 0.935 326 N CB 1.801 40.284 38.487 -0.008 0.000 1.132 326 N HN 0.408 nan 8.380 nan 0.000 0.511 327 P HA 0.104 nan 4.420 nan 0.000 0.220 327 P C -0.597 176.849 177.300 0.243 0.000 1.778 327 P CA 0.029 63.283 63.100 0.256 0.000 0.912 327 P CB -0.017 31.899 31.700 0.359 0.000 1.861 328 R N -1.986 118.621 120.500 0.179 0.000 2.944 328 R HA 0.445 4.785 4.340 0.001 0.000 0.270 328 R C -0.763 175.617 176.300 0.134 0.000 0.989 328 R CA -1.034 55.157 56.100 0.152 0.000 0.853 328 R CB -0.558 29.852 30.300 0.183 0.000 1.430 328 R HN -0.195 nan 8.270 nan 0.000 0.450 329 V N -0.550 119.452 119.914 0.148 0.000 2.775 329 V HA 0.388 4.508 4.120 0.001 0.000 0.299 329 V C -0.117 176.088 176.094 0.186 0.000 1.062 329 V CA -0.541 61.845 62.300 0.142 0.000 1.063 329 V CB 0.704 32.574 31.823 0.080 0.000 0.994 329 V HN 0.544 nan 8.190 nan 0.000 0.483 330 Q N 1.479 121.363 119.800 0.141 0.000 2.226 330 Q HA 0.417 4.757 4.340 0.001 0.000 0.256 330 Q C 1.021 177.054 176.000 0.055 0.000 0.962 330 Q CA -0.798 55.029 55.803 0.039 0.000 0.887 330 Q CB 2.181 30.943 28.738 0.040 0.000 1.282 330 Q HN 0.622 nan 8.270 nan 0.000 0.449 331 V N 1.265 120.981 119.914 -0.329 0.000 2.380 331 V HA -0.282 3.838 4.120 0.001 0.000 0.251 331 V C 1.795 177.914 176.094 0.042 0.000 1.063 331 V CA 2.215 64.358 62.300 -0.261 0.000 1.055 331 V CB -0.681 30.894 31.823 -0.413 0.000 0.657 331 V HN 0.816 nan 8.190 nan 0.000 0.455 332 E N 1.078 121.287 120.200 0.014 0.000 2.463 332 E HA -0.151 4.199 4.350 0.001 0.000 0.191 332 E C 1.725 178.324 176.600 -0.001 0.000 1.083 332 E CA 0.491 56.892 56.400 0.001 0.000 0.872 332 E CB -0.762 28.953 29.700 0.026 0.000 0.966 332 E HN 0.908 nan 8.360 nan 0.000 0.491 333 H N 1.198 120.297 119.070 0.047 0.000 2.387 333 H HA -0.082 4.474 4.556 0.001 0.000 0.299 333 H C 1.054 176.416 175.328 0.055 0.000 1.099 333 H CA 1.758 57.844 56.048 0.063 0.000 1.315 333 H CB -0.916 28.897 29.762 0.084 0.000 1.380 333 H HN 0.036 nan 8.280 nan 0.000 0.513 334 T N 2.156 116.322 114.554 -0.647 0.000 2.788 334 T HA -0.079 4.271 4.350 0.001 0.000 0.268 334 T C 2.242 176.858 174.700 -0.139 0.000 1.044 334 T CA 1.121 63.003 62.100 -0.363 0.000 1.139 334 T CB -0.381 68.259 68.868 -0.380 0.000 0.867 334 T HN 0.298 nan 8.240 nan 0.000 0.454 335 I N 1.012 121.523 120.570 -0.099 0.000 2.248 335 I HA -0.244 3.926 4.170 0.001 0.000 0.248 335 I C 2.232 178.341 176.117 -0.014 0.000 1.107 335 I CA 1.256 62.538 61.300 -0.029 0.000 1.373 335 I CB -0.118 37.894 38.000 0.020 0.000 1.055 335 I HN 0.282 nan 8.210 nan 0.000 0.418 336 T N -0.236 114.326 114.554 0.014 0.000 2.937 336 T HA -0.085 4.265 4.350 0.001 0.000 0.260 336 T C 1.599 176.314 174.700 0.025 0.000 1.051 336 T CA 0.818 62.948 62.100 0.050 0.000 1.141 336 T CB -0.120 68.809 68.868 0.102 0.000 0.879 336 T HN 0.415 nan 8.240 nan 0.000 0.459 337 E N 1.131 121.342 120.200 0.019 0.000 2.160 337 E HA -0.082 4.268 4.350 0.001 0.000 0.195 337 E C 2.078 178.641 176.600 -0.061 0.000 0.991 337 E CA 1.012 57.420 56.400 0.012 0.000 0.810 337 E CB -0.225 29.501 29.700 0.042 0.000 0.742 337 E HN 0.498 nan 8.360 nan 0.000 0.466 338 M N 0.350 119.861 119.600 -0.149 0.000 2.236 338 M HA -0.102 4.378 4.480 0.001 0.000 0.266 338 M C 2.546 178.521 176.300 -0.541 0.000 1.070 338 M CA 0.974 56.059 55.300 -0.358 0.000 1.137 338 M CB 0.017 32.355 32.600 -0.437 0.000 1.378 338 M HN 0.103 nan 8.290 nan 0.000 0.426 339 V N -2.862 116.861 119.914 -0.319 0.000 2.649 339 V HA -0.066 4.055 4.120 0.001 0.000 0.248 339 V C 2.169 178.212 176.094 -0.085 0.000 1.054 339 V CA 1.774 63.966 62.300 -0.180 0.000 1.073 339 V CB -1.659 30.107 31.823 -0.095 0.000 0.699 339 V HN 0.539 nan 8.190 nan 0.000 0.463 340 T N -2.983 111.550 114.554 -0.036 0.000 3.044 340 T HA 0.366 4.717 4.350 0.001 0.000 0.255 340 T C 1.787 176.500 174.700 0.023 0.000 1.073 340 T CA 1.049 63.167 62.100 0.029 0.000 1.125 340 T CB 0.186 69.117 68.868 0.105 0.000 0.908 340 T HN 1.595 nan 8.240 nan 0.000 0.480 341 G N 1.207 110.007 108.800 -0.000 0.000 2.136 341 G HA2 -0.184 3.776 3.960 0.001 0.000 0.242 341 G HA3 -0.184 3.776 3.960 0.001 0.000 0.242 341 G C -0.157 174.761 174.900 0.029 0.000 0.989 341 G CA 0.107 45.216 45.100 0.015 0.000 0.682 341 G HN 0.624 nan 8.290 nan 0.000 0.522 342 I N 1.012 121.604 120.570 0.035 0.000 2.359 342 I HA 0.335 4.505 4.170 0.001 0.000 0.294 342 I C 0.043 176.193 176.117 0.055 0.000 0.987 342 I CA -0.890 60.435 61.300 0.043 0.000 1.225 342 I CB 1.592 39.619 38.000 0.045 0.000 1.366 342 I HN 0.040 nan 8.210 nan 0.000 0.466 343 D N 6.570 127.003 120.400 0.054 0.000 2.374 343 D HA 0.183 4.823 4.640 0.001 0.000 0.240 343 D C 1.060 177.400 176.300 0.068 0.000 1.229 343 D CA 0.235 54.275 54.000 0.067 0.000 0.895 343 D CB 0.777 41.611 40.800 0.056 0.000 1.046 343 D HN 0.431 nan 8.370 nan 0.000 0.498 344 I N 3.062 123.688 120.570 0.094 0.000 2.202 344 I HA -0.246 3.925 4.170 0.001 0.000 0.242 344 I C 2.339 178.486 176.117 0.050 0.000 1.091 344 I CA 0.505 61.853 61.300 0.081 0.000 1.368 344 I CB 0.064 38.135 38.000 0.119 0.000 1.058 344 I HN 0.294 nan 8.210 nan 0.000 0.410 345 V N 1.035 120.964 119.914 0.025 0.000 2.287 345 V HA -0.324 3.797 4.120 0.001 0.000 0.248 345 V C 2.522 178.639 176.094 0.038 0.000 1.053 345 V CA 2.080 64.380 62.300 0.001 0.000 1.027 345 V CB -0.737 31.029 31.823 -0.095 0.000 0.646 345 V HN 0.357 nan 8.190 nan 0.000 0.447 346 K N 0.422 120.842 120.400 0.033 0.000 2.020 346 K HA -0.209 4.112 4.320 0.001 0.000 0.212 346 K C 2.158 178.779 176.600 0.034 0.000 1.050 346 K CA 2.397 58.705 56.287 0.035 0.000 0.929 346 K CB -0.807 31.714 32.500 0.035 0.000 0.714 346 K HN 0.518 nan 8.250 nan 0.000 0.443 347 T N 0.945 115.519 114.554 0.032 0.000 2.759 347 T HA -0.183 4.167 4.350 0.001 0.000 0.269 347 T C 1.743 176.451 174.700 0.013 0.000 1.042 347 T CA 1.539 63.652 62.100 0.022 0.000 1.140 347 T CB -0.226 68.657 68.868 0.025 0.000 0.864 347 T HN 0.362 nan 8.240 nan 0.000 0.455 348 Q N 0.174 119.986 119.800 0.021 0.000 2.014 348 Q HA -0.117 4.223 4.340 0.001 0.000 0.207 348 Q C 2.456 178.439 176.000 -0.027 0.000 0.993 348 Q CA 1.430 57.226 55.803 -0.012 0.000 0.850 348 Q CB -0.361 28.388 28.738 0.017 0.000 0.916 348 Q HN 0.449 nan 8.270 nan 0.000 0.417 349 I N 0.769 121.353 120.570 0.023 0.000 2.151 349 I HA -0.306 3.864 4.170 0.001 0.000 0.243 349 I C 2.386 178.508 176.117 0.008 0.000 1.080 349 I CA 1.584 62.899 61.300 0.024 0.000 1.339 349 I CB -1.300 36.733 38.000 0.055 0.000 1.039 349 I HN 0.274 nan 8.210 nan 0.000 0.409 350 L N 0.082 121.312 121.223 0.010 0.000 2.056 350 L HA -0.158 4.183 4.340 0.001 0.000 0.207 350 L C 2.728 179.598 176.870 0.001 0.000 1.078 350 L CA 0.750 55.594 54.840 0.007 0.000 0.749 350 L CB -0.665 41.397 42.059 0.004 0.000 0.901 350 L HN 0.024 nan 8.230 nan 0.000 0.433 351 V N 0.187 120.096 119.914 -0.008 0.000 2.343 351 V HA -0.304 3.816 4.120 0.001 0.000 0.247 351 V C 2.759 178.851 176.094 -0.004 0.000 1.051 351 V CA 1.877 64.171 62.300 -0.009 0.000 1.036 351 V CB -0.891 30.915 31.823 -0.030 0.000 0.654 351 V HN 0.492 nan 8.190 nan 0.000 0.451 352 A N -0.111 122.693 122.820 -0.027 0.000 1.972 352 A HA -0.061 4.259 4.320 0.001 0.000 0.219 352 A C 2.324 179.917 177.584 0.015 0.000 1.169 352 A CA 1.806 53.831 52.037 -0.020 0.000 0.635 352 A CB -0.621 18.342 19.000 -0.062 0.000 0.810 352 A HN 0.588 nan 8.150 nan 0.000 0.446 353 A N -1.831 120.999 122.820 0.018 0.000 2.119 353 A HA 0.358 4.678 4.320 0.001 0.000 0.217 353 A C 1.864 179.476 177.584 0.047 0.000 1.153 353 A CA 1.449 53.504 52.037 0.030 0.000 0.692 353 A CB -0.837 18.177 19.000 0.024 0.000 0.799 353 A HN 1.908 nan 8.150 nan 0.000 0.458 354 G N -2.521 106.315 108.800 0.060 0.000 2.134 354 G HA2 0.164 4.125 3.960 0.001 0.000 0.209 354 G HA3 0.164 4.125 3.960 0.001 0.000 0.209 354 G C 0.304 175.266 174.900 0.104 0.000 0.993 354 G CA 0.237 45.406 45.100 0.116 0.000 0.669 354 G HN 1.502 nan 8.290 nan 0.000 0.519 355 A N -0.284 122.543 122.820 0.012 0.000 2.322 355 A HA 0.642 4.962 4.320 0.001 0.000 0.269 355 A C 1.028 178.500 177.584 -0.186 0.000 1.094 355 A CA 0.642 52.633 52.037 -0.076 0.000 0.807 355 A CB 0.603 19.578 19.000 -0.042 0.000 1.047 355 A HN 0.245 nan 8.150 nan 0.000 0.487 356 D N 0.415 120.635 120.400 -0.300 0.000 1.913 356 D HA 0.360 5.001 4.640 0.001 0.000 0.280 356 D C 0.937 177.153 176.300 -0.140 0.000 1.012 356 D CA 1.950 55.750 54.000 -0.334 0.000 0.892 356 D CB 0.004 40.611 40.800 -0.322 0.000 1.119 356 D HN 1.321 nan 8.370 nan 0.000 0.434 357 G N -0.280 108.493 108.800 -0.045 0.000 2.525 357 G HA2 -0.167 3.794 3.960 0.001 0.000 0.685 357 G HA3 -0.167 3.794 3.960 0.001 0.000 0.685 357 G C -0.042 174.843 174.900 -0.025 0.000 1.290 357 G CA 0.066 45.142 45.100 -0.040 0.000 0.915 357 G HN 0.365 nan 8.290 nan 0.000 0.548 358 E N -0.338 119.851 120.200 -0.019 0.000 2.520 358 E HA 0.051 4.401 4.350 0.001 0.000 0.201 358 E C 1.579 178.174 176.600 -0.008 0.000 1.122 358 E CA 1.033 57.427 56.400 -0.010 0.000 0.896 358 E CB 0.266 29.963 29.700 -0.006 0.000 0.891 358 E HN 0.478 nan 8.360 nan 0.000 0.533 359 E N 0.214 120.405 120.200 -0.015 0.000 2.182 359 E HA 0.081 4.432 4.350 0.001 0.000 0.195 359 E C 1.580 178.176 176.600 -0.006 0.000 0.933 359 E CA 0.258 56.651 56.400 -0.011 0.000 0.940 359 E CB 0.153 29.841 29.700 -0.020 0.000 0.945 359 E HN 0.104 nan 8.360 nan 0.000 0.477 360 I N 0.689 121.251 120.570 -0.013 0.000 2.617 360 I HA 0.003 4.173 4.170 0.001 0.000 0.256 360 I C -0.434 175.682 176.117 -0.001 0.000 1.167 360 I CA 0.306 61.602 61.300 -0.006 0.000 1.469 360 I CB -0.565 37.427 38.000 -0.013 0.000 1.098 360 I HN 0.151 nan 8.210 nan 0.000 0.436 361 N N 1.471 120.168 118.700 -0.006 0.000 2.889 361 N HA -0.121 4.620 4.740 0.001 0.000 0.286 361 N C -2.598 172.913 175.510 0.001 0.000 1.721 361 N CA -0.000 53.049 53.050 -0.001 0.000 1.506 361 N CB -0.704 37.786 38.487 0.004 0.000 0.882 361 N HN 0.247 nan 8.380 nan 0.000 0.501 362 P HA 0.387 nan 4.420 nan 0.000 0.304 362 P C -1.156 176.135 177.300 -0.016 0.000 1.330 362 P CA -0.913 62.184 63.100 -0.005 0.000 1.137 362 P CB 0.989 32.692 31.700 0.004 0.000 1.658 363 Q N 0.559 120.352 119.800 -0.013 0.000 2.395 363 Q HA -0.029 4.311 4.340 0.001 0.000 0.271 363 Q C 1.012 176.990 176.000 -0.037 0.000 1.026 363 Q CA 0.281 56.073 55.803 -0.019 0.000 0.900 363 Q CB 0.834 29.567 28.738 -0.009 0.000 1.266 363 Q HN 0.450 nan 8.270 nan 0.000 0.430 364 Q N 2.886 122.652 119.800 -0.056 0.000 2.152 364 Q HA -0.241 4.100 4.340 0.001 0.000 0.206 364 Q C 1.602 177.554 176.000 -0.079 0.000 0.985 364 Q CA 2.460 58.198 55.803 -0.108 0.000 0.863 364 Q CB 0.024 28.706 28.738 -0.093 0.000 0.904 364 Q HN 0.653 nan 8.270 nan 0.000 0.422 365 K N -1.194 119.190 120.400 -0.027 0.000 2.211 365 K HA -0.103 4.217 4.320 0.001 0.000 0.203 365 K C 0.917 177.529 176.600 0.021 0.000 1.050 365 K CA 1.526 57.815 56.287 0.004 0.000 0.945 365 K CB 0.003 32.508 32.500 0.010 0.000 0.732 365 K HN 0.104 nan 8.250 nan 0.000 0.451 366 D N 0.935 121.341 120.400 0.010 0.000 2.348 366 D HA 0.124 4.765 4.640 0.001 0.000 0.211 366 D C 0.374 176.697 176.300 0.037 0.000 0.998 366 D CA 0.256 54.269 54.000 0.022 0.000 0.873 366 D CB 0.184 40.991 40.800 0.011 0.000 0.925 366 D HN 0.236 nan 8.370 nan 0.000 0.524 367 I N 1.914 122.502 120.570 0.031 0.000 2.436 367 I HA 0.049 4.219 4.170 0.001 0.000 0.289 367 I C 0.720 176.993 176.117 0.260 0.000 1.083 367 I CA 0.231 61.577 61.300 0.077 0.000 1.372 367 I CB 0.677 38.658 38.000 -0.032 0.000 1.408 367 I HN -0.131 nan 8.210 nan 0.000 0.516 368 T N 0.726 115.421 114.554 0.235 0.000 2.804 368 T HA 0.554 4.905 4.350 0.001 0.000 0.290 368 T C -0.200 174.433 174.700 -0.111 0.000 1.099 368 T CA -0.916 61.258 62.100 0.124 0.000 1.011 368 T CB 1.730 70.607 68.868 0.016 0.000 1.291 368 T HN 0.501 nan 8.240 nan 0.000 0.523 369 T N -0.322 113.989 114.554 -0.405 0.000 2.875 369 T HA 0.653 5.003 4.350 0.001 0.000 0.284 369 T C -0.658 173.922 174.700 -0.200 0.000 0.995 369 T CA -0.855 61.032 62.100 -0.354 0.000 1.060 369 T CB 0.991 69.541 68.868 -0.529 0.000 0.967 369 T HN 0.705 nan 8.240 nan 0.000 0.476 370 L N 3.643 124.804 121.223 -0.102 0.000 2.316 370 L HA 0.664 5.004 4.340 0.001 0.000 0.280 370 L C 0.631 177.525 176.870 0.041 0.000 1.006 370 L CA 1.159 55.984 54.840 -0.025 0.000 0.836 370 L CB 0.337 42.436 42.059 0.067 0.000 1.221 370 L HN 1.352 nan 8.230 nan 0.000 0.418 371 G N 3.028 111.743 108.800 -0.141 0.000 2.562 371 G HA2 -0.289 3.671 3.960 0.001 0.000 0.250 371 G HA3 -0.289 3.671 3.960 0.001 0.000 0.250 371 G C -0.895 173.777 174.900 -0.380 0.000 1.269 371 G CA 0.328 45.301 45.100 -0.211 0.000 0.919 371 G HN 0.652 nan 8.290 nan 0.000 0.574 372 Y N -0.111 120.285 120.300 0.161 0.000 2.545 372 Y HA 0.672 5.222 4.550 0.001 0.000 0.348 372 Y C 0.603 176.656 175.900 0.254 0.000 1.002 372 Y CA -0.246 57.955 58.100 0.168 0.000 1.039 372 Y CB 2.359 40.935 38.460 0.193 0.000 1.271 372 Y HN 1.195 nan 8.280 nan 0.000 0.467 373 A N 2.715 125.755 122.820 0.366 0.000 2.414 373 A HA 0.891 5.212 4.320 0.001 0.000 0.306 373 A C -1.422 176.301 177.584 0.232 0.000 1.054 373 A CA -0.635 51.554 52.037 0.253 0.000 0.724 373 A CB 0.932 20.003 19.000 0.119 0.000 1.267 373 A HN 0.678 nan 8.150 nan 0.000 0.418 374 I N 0.675 121.355 120.570 0.184 0.000 2.646 374 I HA 0.509 4.679 4.170 0.001 0.000 0.299 374 I C -0.195 175.979 176.117 0.095 0.000 1.036 374 I CA -0.485 60.921 61.300 0.176 0.000 1.074 374 I CB 2.224 40.331 38.000 0.177 0.000 1.258 374 I HN 0.714 nan 8.210 nan 0.000 0.430 375 Q N 3.870 123.722 119.800 0.086 0.000 2.337 375 Q HA 0.555 4.896 4.340 0.001 0.000 0.270 375 Q C -1.872 174.146 176.000 0.030 0.000 1.043 375 Q CA -0.530 55.298 55.803 0.042 0.000 0.794 375 Q CB 2.526 31.281 28.738 0.028 0.000 1.281 375 Q HN 0.776 nan 8.270 nan 0.000 0.446 376 C N 2.622 121.926 119.300 0.007 0.000 2.456 376 C HA 0.589 5.049 4.460 0.001 0.000 0.325 376 C C -0.364 174.635 174.990 0.015 0.000 1.217 376 C CA -0.774 58.238 59.018 -0.009 0.000 1.687 376 C CB 1.281 28.991 27.740 -0.050 0.000 2.270 376 C HN 0.810 nan 8.230 nan 0.000 0.499 377 R N 2.354 122.874 120.500 0.032 0.000 2.297 377 R HA 0.647 4.987 4.340 0.001 0.000 0.308 377 R C -0.544 175.796 176.300 0.067 0.000 1.029 377 R CA -0.084 56.048 56.100 0.053 0.000 0.929 377 R CB 0.306 30.645 30.300 0.064 0.000 1.046 377 R HN 0.526 nan 8.270 nan 0.000 0.461 378 I N 3.297 123.905 120.570 0.064 0.000 2.382 378 I HA 0.349 4.519 4.170 0.001 0.000 0.286 378 I C 0.083 176.241 176.117 0.068 0.000 1.002 378 I CA -0.518 60.821 61.300 0.065 0.000 1.135 378 I CB 1.154 39.187 38.000 0.056 0.000 1.288 378 I HN 0.656 nan 8.210 nan 0.000 0.448 379 T N -0.009 114.588 114.554 0.073 0.000 2.907 379 T HA 0.367 4.717 4.350 0.001 0.000 0.290 379 T C 1.204 175.929 174.700 0.042 0.000 1.066 379 T CA -0.302 61.839 62.100 0.067 0.000 1.012 379 T CB 1.779 70.704 68.868 0.096 0.000 1.184 379 T HN 0.635 nan 8.240 nan 0.000 0.522 380 T N -1.685 112.889 114.554 0.034 0.000 2.915 380 T HA -0.036 4.315 4.350 0.001 0.000 0.269 380 T C 0.726 175.421 174.700 -0.007 0.000 1.071 380 T CA 0.718 62.825 62.100 0.012 0.000 1.132 380 T CB -0.743 68.133 68.868 0.014 0.000 0.878 380 T HN 0.872 nan 8.240 nan 0.000 0.479 381 E N 2.658 122.864 120.200 0.010 0.000 2.409 381 E HA 0.341 4.691 4.350 0.001 0.000 0.257 381 E C -0.787 175.705 176.600 -0.179 0.000 1.150 381 E CA -0.671 55.711 56.400 -0.031 0.000 0.942 381 E CB 0.329 30.087 29.700 0.096 0.000 0.979 381 E HN 0.592 nan 8.360 nan 0.000 0.447 382 D N -0.037 120.138 120.400 -0.376 0.000 2.661 382 D HA 0.138 4.779 4.640 0.001 0.000 0.228 382 D C -2.364 173.447 176.300 -0.815 0.000 1.210 382 D CA -2.169 51.519 54.000 -0.521 0.000 0.826 382 D CB 1.333 41.978 40.800 -0.258 0.000 1.542 382 D HN 0.155 nan 8.370 nan 0.000 0.447 383 P HA 0.000 nan 4.420 nan 0.000 0.226 383 P C 1.490 178.705 177.300 -0.142 0.000 1.153 383 P CA 0.420 63.248 63.100 -0.453 0.000 0.777 383 P CB 0.504 31.974 31.700 -0.384 0.000 0.794 384 L N -0.885 120.239 121.223 -0.165 0.000 2.217 384 L HA -0.003 4.337 4.340 0.001 0.000 0.211 384 L C 1.384 178.209 176.870 -0.075 0.000 1.107 384 L CA 1.152 55.941 54.840 -0.084 0.000 0.783 384 L CB -0.652 41.359 42.059 -0.080 0.000 0.919 384 L HN -0.038 nan 8.230 nan 0.000 0.442 385 N N -0.453 118.180 118.700 -0.111 0.000 2.610 385 N HA 0.057 4.797 4.740 0.001 0.000 0.307 385 N C -0.784 174.696 175.510 -0.050 0.000 1.813 385 N CA -0.119 52.888 53.050 -0.071 0.000 0.901 385 N CB 0.067 38.514 38.487 -0.065 0.000 1.354 385 N HN -0.035 nan 8.380 nan 0.000 0.491 386 D N 1.061 121.450 120.400 -0.019 0.000 2.733 386 D HA -0.269 4.371 4.640 0.001 0.000 0.232 386 D C -0.771 175.644 176.300 0.192 0.000 1.161 386 D CA 0.810 54.861 54.000 0.084 0.000 0.653 386 D CB -1.037 39.797 40.800 0.055 0.000 1.052 386 D HN 0.505 nan 8.370 nan 0.000 0.424 387 F N -1.888 118.060 119.950 -0.003 0.000 2.688 387 F HA -0.288 4.239 4.527 0.001 0.000 0.276 387 F C 0.781 176.572 175.800 -0.014 0.000 1.034 387 F CA 0.692 58.684 58.000 -0.014 0.000 0.991 387 F CB -0.833 38.157 39.000 -0.017 0.000 1.119 387 F HN 0.111 nan 8.300 nan 0.000 0.837 388 M N 2.537 122.174 119.600 0.061 0.000 2.134 388 M HA 0.323 4.803 4.480 0.001 0.000 0.310 388 M C -2.418 173.892 176.300 0.017 0.000 0.966 388 M CA -1.630 53.692 55.300 0.037 0.000 0.922 388 M CB 1.897 34.503 32.600 0.009 0.000 1.537 388 M HN -0.188 nan 8.290 nan 0.000 0.424 389 P HA 0.081 nan 4.420 nan 0.000 0.269 389 P C -0.840 176.463 177.300 0.005 0.000 1.263 389 P CA 0.194 63.306 63.100 0.021 0.000 0.813 389 P CB 0.206 31.923 31.700 0.027 0.000 0.868 390 D N 1.867 122.267 120.400 0.000 0.000 2.312 390 D HA 0.169 4.809 4.640 0.001 0.000 0.248 390 D C 1.244 177.547 176.300 0.006 0.000 1.086 390 D CA 0.036 54.034 54.000 -0.004 0.000 0.948 390 D CB 0.974 41.766 40.800 -0.013 0.000 1.162 390 D HN 0.205 nan 8.370 nan 0.000 0.446 391 T N -0.406 114.152 114.554 0.007 0.000 4.593 391 T HA 0.449 4.799 4.350 0.001 0.000 0.208 391 T C 0.737 175.440 174.700 0.004 0.000 0.748 391 T CA 0.237 62.348 62.100 0.019 0.000 2.311 391 T CB -0.663 68.221 68.868 0.027 0.000 1.788 391 T HN 0.734 nan 8.240 nan 0.000 0.291 392 G N 0.710 109.508 108.800 -0.003 0.000 2.757 392 G HA2 -0.096 3.864 3.960 0.001 0.000 0.686 392 G HA3 -0.096 3.864 3.960 0.001 0.000 0.686 392 G C -0.320 174.563 174.900 -0.027 0.000 1.452 392 G CA -0.511 44.575 45.100 -0.024 0.000 0.922 392 G HN 0.732 nan 8.290 nan 0.000 0.588 393 T N 1.585 116.110 114.554 -0.049 0.000 2.856 393 T HA 0.513 4.863 4.350 0.001 0.000 0.292 393 T C 1.043 175.734 174.700 -0.016 0.000 0.980 393 T CA 0.007 62.085 62.100 -0.036 0.000 1.091 393 T CB 0.804 69.636 68.868 -0.060 0.000 0.936 393 T HN 0.640 nan 8.240 nan 0.000 0.503 394 I N 4.413 124.978 120.570 -0.009 0.000 2.347 394 I HA 0.188 4.358 4.170 0.001 0.000 0.294 394 I C 1.746 177.906 176.117 0.073 0.000 1.090 394 I CA -0.289 61.020 61.300 0.015 0.000 1.314 394 I CB 0.142 38.125 38.000 -0.029 0.000 1.423 394 I HN 0.716 nan 8.210 nan 0.000 0.503 395 I N 3.271 123.906 120.570 0.108 0.000 2.493 395 I HA 0.177 4.348 4.170 0.001 0.000 0.254 395 I C 0.983 177.167 176.117 0.112 0.000 1.160 395 I CA 0.710 62.109 61.300 0.164 0.000 1.445 395 I CB 0.056 38.192 38.000 0.227 0.000 1.086 395 I HN 0.567 nan 8.210 nan 0.000 0.433 396 A N -0.211 122.671 122.820 0.104 0.000 2.488 396 A HA 0.616 4.936 4.320 0.001 0.000 0.298 396 A C -1.752 175.926 177.584 0.157 0.000 1.044 396 A CA -0.392 51.709 52.037 0.107 0.000 0.693 396 A CB 0.795 19.834 19.000 0.066 0.000 1.272 396 A HN 0.341 nan 8.150 nan 0.000 0.402 397 Y N 1.576 121.896 120.300 0.033 0.000 2.376 397 Y HA 0.751 5.301 4.550 0.001 0.000 0.340 397 Y C -0.202 175.720 175.900 0.037 0.000 0.965 397 Y CA -0.585 57.535 58.100 0.033 0.000 1.078 397 Y CB 1.544 40.034 38.460 0.050 0.000 1.193 397 Y HN 0.692 nan 8.280 nan 0.000 0.452 398 R N 4.442 124.593 120.500 -0.580 0.000 2.500 398 R HA 0.397 4.738 4.340 0.001 0.000 0.299 398 R C -0.767 175.191 176.300 -0.569 0.000 1.038 398 R CA -0.490 55.330 56.100 -0.467 0.000 0.903 398 R CB 1.957 32.140 30.300 -0.194 0.000 1.177 398 R HN 0.672 nan 8.270 nan 0.000 0.455 399 S N 0.210 115.584 115.700 -0.543 0.000 2.646 399 S HA 0.443 4.913 4.470 0.001 0.000 0.273 399 S C 0.649 175.164 174.600 -0.141 0.000 1.168 399 S CA -0.311 57.710 58.200 -0.299 0.000 1.013 399 S CB 1.217 64.320 63.200 -0.161 0.000 1.098 399 S HN 0.734 nan 8.310 nan 0.000 0.544 400 S N -0.886 114.773 115.700 -0.068 0.000 3.896 400 S HA 0.844 5.315 4.470 0.001 0.000 0.190 400 S C 0.226 174.822 174.600 -0.007 0.000 1.171 400 S CA 0.064 58.241 58.200 -0.037 0.000 1.368 400 S CB 0.360 63.538 63.200 -0.036 0.000 1.688 400 S HN 1.643 nan 8.310 nan 0.000 0.791 401 G N -1.039 107.763 108.800 0.003 0.000 2.339 401 G HA2 0.541 4.502 3.960 0.001 0.000 0.381 401 G HA3 0.541 4.502 3.960 0.001 0.000 0.381 401 G C -0.298 174.616 174.900 0.024 0.000 1.400 401 G CA -0.010 45.103 45.100 0.021 0.000 1.002 401 G HN 2.242 nan 8.290 nan 0.000 0.633 402 G N -1.441 107.385 108.800 0.044 0.000 2.337 402 G HA2 0.573 4.534 3.960 0.001 0.000 0.310 402 G HA3 0.573 4.534 3.960 0.001 0.000 0.310 402 G C -0.516 174.442 174.900 0.097 0.000 1.534 402 G CA 0.035 45.173 45.100 0.064 0.000 0.982 402 G HN 2.082 nan 8.290 nan 0.000 0.672 403 F N 1.870 121.833 119.950 0.021 0.000 2.571 403 F HA 0.403 4.930 4.527 0.001 0.000 0.390 403 F C 1.294 177.120 175.800 0.043 0.000 1.043 403 F CA 1.477 59.494 58.000 0.029 0.000 1.164 403 F CB 0.421 39.427 39.000 0.011 0.000 1.049 403 F HN 2.048 nan 8.300 nan 0.000 0.552 404 G N 4.460 113.089 108.800 -0.286 0.000 2.272 404 G HA2 -0.183 3.777 3.960 0.001 0.000 0.280 404 G HA3 -0.183 3.777 3.960 0.001 0.000 0.280 404 G C -0.821 173.982 174.900 -0.162 0.000 1.067 404 G CA 0.056 44.976 45.100 -0.300 0.000 0.902 404 G HN 1.007 nan 8.290 nan 0.000 0.500 405 V N 0.225 120.100 119.914 -0.065 0.000 2.385 405 V HA 0.513 4.634 4.120 0.001 0.000 0.277 405 V C 0.330 176.427 176.094 0.006 0.000 1.012 405 V CA -0.873 61.408 62.300 -0.031 0.000 0.832 405 V CB 1.339 33.146 31.823 -0.026 0.000 1.028 405 V HN 0.535 nan 8.190 nan 0.000 0.436 406 R N 4.118 124.623 120.500 0.009 0.000 2.255 406 R HA 0.634 4.975 4.340 0.001 0.000 0.326 406 R C -1.146 175.176 176.300 0.037 0.000 0.986 406 R CA -0.281 55.835 56.100 0.026 0.000 0.847 406 R CB 1.087 31.397 30.300 0.017 0.000 1.111 406 R HN 0.599 nan 8.270 nan 0.000 0.452 407 L N 4.800 126.058 121.223 0.059 0.000 2.360 407 L HA 0.321 4.661 4.340 0.001 0.000 0.265 407 L C -0.850 176.087 176.870 0.112 0.000 1.066 407 L CA -0.220 54.672 54.840 0.087 0.000 0.929 407 L CB 1.218 43.339 42.059 0.102 0.000 1.306 407 L HN 0.725 nan 8.230 nan 0.000 0.434 408 D N 3.611 124.069 120.400 0.097 0.000 2.429 408 D HA 0.209 4.849 4.640 0.001 0.000 0.253 408 D C 0.565 176.942 176.300 0.128 0.000 1.294 408 D CA 0.125 54.189 54.000 0.107 0.000 1.063 408 D CB 0.567 41.426 40.800 0.099 0.000 1.096 408 D HN 0.474 nan 8.370 nan 0.000 0.516 409 A N 2.116 125.025 122.820 0.147 0.000 2.524 409 A HA 0.494 4.814 4.320 0.001 0.000 0.250 409 A C 1.184 178.845 177.584 0.128 0.000 1.078 409 A CA 0.298 52.423 52.037 0.146 0.000 0.761 409 A CB 0.499 19.590 19.000 0.152 0.000 1.012 409 A HN 0.600 nan 8.150 nan 0.000 0.500 410 G N 0.320 109.189 108.800 0.116 0.000 2.665 410 G HA2 0.188 4.148 3.960 0.001 0.000 0.204 410 G HA3 0.188 4.148 3.960 0.001 0.000 0.204 410 G C 0.600 175.592 174.900 0.154 0.000 1.883 410 G CA 0.483 45.661 45.100 0.130 0.000 0.734 410 G HN 0.522 nan 8.290 nan 0.000 0.811 411 D N 1.080 121.506 120.400 0.043 0.000 2.264 411 D HA 0.039 4.680 4.640 0.001 0.000 0.208 411 D C 1.200 177.248 176.300 -0.421 0.000 0.966 411 D CA 0.792 54.746 54.000 -0.076 0.000 0.864 411 D CB 0.023 40.806 40.800 -0.028 0.000 0.933 411 D HN 0.245 nan 8.370 nan 0.000 0.499 412 G N -0.079 108.516 108.800 -0.341 0.000 2.377 412 G HA2 0.407 4.367 3.960 0.001 0.000 0.316 412 G HA3 0.407 4.367 3.960 0.001 0.000 0.316 412 G C -0.024 174.425 174.900 -0.751 0.000 1.115 412 G CA -0.513 44.289 45.100 -0.497 0.000 0.952 412 G HN 0.053 nan 8.290 nan 0.000 0.441 413 F N 0.410 120.093 119.950 -0.445 0.000 2.496 413 F HA 0.491 5.019 4.527 0.000 0.000 0.274 413 F C 0.830 176.462 175.800 -0.280 0.000 0.924 413 F CA -0.290 57.365 58.000 -0.574 0.000 1.147 413 F CB 0.485 39.334 39.000 -0.251 0.000 0.969 413 F HN 0.475 nan 8.300 nan 0.000 0.749 414 Q N -0.220 119.650 119.800 0.117 0.000 2.582 414 Q HA 0.421 4.762 4.340 0.001 0.000 0.408 414 Q C -0.035 176.028 176.000 0.105 0.000 0.577 414 Q CA -0.034 55.873 55.803 0.173 0.000 0.966 414 Q CB 0.861 29.738 28.738 0.232 0.000 0.981 414 Q HN 0.211 nan 8.270 nan 0.000 0.423 415 G N 0.249 109.131 108.800 0.137 0.000 3.639 415 G HA2 0.501 4.461 3.960 0.001 0.000 0.279 415 G HA3 0.501 4.461 3.960 0.001 0.000 0.279 415 G C -0.543 174.433 174.900 0.125 0.000 1.312 415 G CA 0.488 45.658 45.100 0.117 0.000 1.355 415 G HN 0.377 nan 8.290 nan 0.000 0.595 416 A N 1.390 124.297 122.820 0.144 0.000 2.271 416 A HA 0.584 4.904 4.320 0.001 0.000 0.317 416 A C 0.434 178.067 177.584 0.081 0.000 1.245 416 A CA -0.707 51.437 52.037 0.180 0.000 0.857 416 A CB 0.720 19.957 19.000 0.395 0.000 1.175 416 A HN 0.389 nan 8.150 nan 0.000 0.512 417 E N 3.579 123.825 120.200 0.077 0.000 2.344 417 E HA 0.267 4.617 4.350 0.001 0.000 0.270 417 E C -0.480 176.162 176.600 0.070 0.000 1.021 417 E CA -0.042 56.385 56.400 0.045 0.000 0.887 417 E CB 0.462 30.188 29.700 0.044 0.000 0.997 417 E HN 0.581 nan 8.360 nan 0.000 0.429 418 I N -0.271 120.323 120.570 0.040 0.000 2.498 418 I HA 0.400 4.570 4.170 0.001 0.000 0.301 418 I C 0.208 176.403 176.117 0.131 0.000 0.984 418 I CA -1.056 60.294 61.300 0.083 0.000 1.204 418 I CB 1.847 39.859 38.000 0.019 0.000 1.362 418 I HN 0.355 nan 8.210 nan 0.000 0.471 419 S N 4.512 120.343 115.700 0.218 0.000 2.554 419 S HA 0.489 4.959 4.470 0.001 0.000 0.278 419 S C -1.393 173.354 174.600 0.246 0.000 1.242 419 S CA -1.433 56.922 58.200 0.259 0.000 1.051 419 S CB 0.912 64.323 63.200 0.352 0.000 0.986 419 S HN 0.686 nan 8.310 nan 0.000 0.502 420 P HA 0.056 nan 4.420 nan 0.000 0.245 420 P C 0.398 177.695 177.300 -0.006 0.000 1.212 420 P CA 0.447 63.583 63.100 0.060 0.000 0.774 420 P CB -0.085 31.600 31.700 -0.025 0.000 0.999 421 Y N -0.715 119.581 120.300 -0.007 0.000 2.314 421 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 421 Y C 1.204 176.988 175.900 -0.194 0.000 1.129 421 Y CA 0.876 58.892 58.100 -0.140 0.000 1.201 421 Y CB -0.560 37.748 38.460 -0.255 0.000 0.999 421 Y HN -0.097 nan 8.280 nan 0.000 0.541 422 Y N 0.017 120.461 120.300 0.240 0.000 2.354 422 Y HA 0.150 4.701 4.550 0.001 0.000 0.322 422 Y C 0.391 176.352 175.900 0.102 0.000 1.253 422 Y CA -1.601 56.608 58.100 0.182 0.000 1.272 422 Y CB 0.349 38.935 38.460 0.209 0.000 1.255 422 Y HN -0.183 nan 8.280 nan 0.000 0.500 423 D N 1.310 121.850 120.400 0.233 0.000 2.383 423 D HA -0.038 4.602 4.640 0.001 0.000 0.275 423 D C 0.104 176.489 176.300 0.142 0.000 1.344 423 D CA 0.243 54.321 54.000 0.130 0.000 0.984 423 D CB 0.249 41.096 40.800 0.078 0.000 1.104 423 D HN 0.541 nan 8.370 nan 0.000 0.524 424 S N 2.752 118.522 115.700 0.117 0.000 4.053 424 S HA 0.050 4.520 4.470 0.001 0.000 0.184 424 S C 0.347 174.993 174.600 0.076 0.000 1.324 424 S CA -0.770 57.488 58.200 0.098 0.000 0.956 424 S CB -0.237 63.010 63.200 0.078 0.000 1.503 424 S HN 0.294 nan 8.310 nan 0.000 0.440 425 L N 3.086 124.359 121.223 0.083 0.000 2.334 425 L HA 0.389 4.729 4.340 0.001 0.000 0.286 425 L C 0.812 177.721 176.870 0.065 0.000 1.108 425 L CA -0.181 54.705 54.840 0.076 0.000 0.875 425 L CB 0.061 42.173 42.059 0.088 0.000 1.246 425 L HN 0.518 nan 8.230 nan 0.000 0.439 426 L N 4.016 125.270 121.223 0.051 0.000 1.961 426 L HA -0.000 4.340 4.340 0.001 0.000 0.209 426 L C 0.134 177.042 176.870 0.062 0.000 1.075 426 L CA 0.856 55.717 54.840 0.035 0.000 0.749 426 L CB -0.190 41.888 42.059 0.033 0.000 0.890 426 L HN 0.347 nan 8.230 nan 0.000 0.433 427 V N -0.786 119.176 119.914 0.080 0.000 2.709 427 V HA 0.282 4.402 4.120 0.001 0.000 0.308 427 V C -0.357 175.786 176.094 0.081 0.000 1.062 427 V CA -1.046 61.314 62.300 0.100 0.000 0.901 427 V CB 1.826 33.724 31.823 0.126 0.000 1.003 427 V HN 0.091 nan 8.190 nan 0.000 0.425 428 K N 3.453 123.904 120.400 0.084 0.000 2.253 428 K HA 0.589 4.909 4.320 0.001 0.000 0.277 428 K C -1.579 175.052 176.600 0.052 0.000 1.053 428 K CA -0.614 55.711 56.287 0.064 0.000 0.892 428 K CB 1.072 33.615 32.500 0.072 0.000 1.102 428 K HN 0.522 nan 8.250 nan 0.000 0.469 429 L N 4.145 125.388 121.223 0.033 0.000 2.342 429 L HA 0.356 4.696 4.340 0.001 0.000 0.276 429 L C -1.202 175.672 176.870 0.007 0.000 0.997 429 L CA -0.007 54.844 54.840 0.020 0.000 0.838 429 L CB 1.458 43.523 42.059 0.010 0.000 1.224 429 L HN 0.650 nan 8.230 nan 0.000 0.416 430 S N 1.631 117.333 115.700 0.004 0.000 2.538 430 S HA 0.946 5.416 4.470 0.001 0.000 0.288 430 S C -0.320 174.279 174.600 -0.002 0.000 1.108 430 S CA -0.393 57.809 58.200 0.003 0.000 0.971 430 S CB 1.723 64.919 63.200 -0.007 0.000 1.041 430 S HN 0.678 nan 8.310 nan 0.000 0.483 431 T N -0.770 113.789 114.554 0.009 0.000 2.930 431 T HA 0.778 5.128 4.350 0.001 0.000 0.290 431 T C -1.120 173.608 174.700 0.047 0.000 1.052 431 T CA -0.618 61.475 62.100 -0.011 0.000 1.017 431 T CB 1.536 70.381 68.868 -0.039 0.000 1.137 431 T HN 1.029 nan 8.240 nan 0.000 0.511 432 H N -0.345 118.617 119.070 -0.180 0.000 3.087 432 H HA 0.719 5.276 4.556 0.001 0.000 0.348 432 H C -1.196 173.916 175.328 -0.361 0.000 1.092 432 H CA 0.202 56.135 56.048 -0.192 0.000 1.285 432 H CB 1.218 30.872 29.762 -0.179 0.000 1.875 432 H HN 1.193 nan 8.280 nan 0.000 0.512 433 A N 3.287 125.759 122.820 -0.579 0.000 2.536 433 A HA 0.415 4.735 4.320 0.001 0.000 0.293 433 A C 0.412 177.888 177.584 -0.179 0.000 1.119 433 A CA -0.262 51.528 52.037 -0.413 0.000 0.654 433 A CB -0.034 18.873 19.000 -0.154 0.000 1.291 433 A HN 0.647 nan 8.150 nan 0.000 0.439 434 I N -1.100 119.455 120.570 -0.025 0.000 2.315 434 I HA 0.072 4.242 4.170 0.001 0.000 0.248 434 I C 1.184 177.358 176.117 0.095 0.000 1.117 434 I CA 1.736 63.041 61.300 0.009 0.000 1.404 434 I CB -0.615 37.399 38.000 0.024 0.000 1.071 434 I HN 0.426 nan 8.210 nan 0.000 0.419 435 S N -0.763 115.030 115.700 0.155 0.000 2.693 435 S HA 0.378 4.848 4.470 0.001 0.000 0.276 435 S C 0.568 175.410 174.600 0.404 0.000 1.192 435 S CA -0.667 57.690 58.200 0.262 0.000 0.994 435 S CB 0.797 64.082 63.200 0.143 0.000 1.012 435 S HN 0.282 nan 8.310 nan 0.000 0.550 436 F N 1.925 121.960 119.950 0.142 0.000 2.262 436 F HA 0.346 4.873 4.527 0.001 0.000 0.292 436 F C 1.975 177.755 175.800 -0.034 0.000 1.081 436 F CA 1.185 59.145 58.000 -0.066 0.000 1.355 436 F CB -0.438 38.317 39.000 -0.408 0.000 1.069 436 F HN 0.634 nan 8.300 nan 0.000 0.506 437 K N -0.144 120.231 120.400 -0.041 0.000 2.097 437 K HA -0.228 4.093 4.320 0.001 0.000 0.206 437 K C 2.095 178.641 176.600 -0.089 0.000 1.049 437 K CA 1.629 57.848 56.287 -0.113 0.000 0.933 437 K CB -0.269 32.215 32.500 -0.028 0.000 0.717 437 K HN 0.357 nan 8.250 nan 0.000 0.442 438 Q N 0.256 120.043 119.800 -0.021 0.000 2.083 438 Q HA -0.071 4.270 4.340 0.001 0.000 0.198 438 Q C 1.958 177.932 176.000 -0.044 0.000 0.969 438 Q CA 1.304 57.099 55.803 -0.014 0.000 0.838 438 Q CB 0.014 28.768 28.738 0.028 0.000 0.900 438 Q HN 0.343 nan 8.270 nan 0.000 0.436 439 A N 0.167 122.964 122.820 -0.038 0.000 1.968 439 A HA -0.161 4.159 4.320 0.001 0.000 0.217 439 A C 1.770 179.287 177.584 -0.111 0.000 1.169 439 A CA 1.217 53.224 52.037 -0.050 0.000 0.638 439 A CB -0.391 18.642 19.000 0.056 0.000 0.812 439 A HN 0.470 nan 8.150 nan 0.000 0.446 440 E N 0.206 120.275 120.200 -0.217 0.000 2.038 440 E HA -0.235 4.116 4.350 0.001 0.000 0.195 440 E C 1.997 178.509 176.600 -0.147 0.000 1.000 440 E CA 1.539 57.790 56.400 -0.248 0.000 0.803 440 E CB -0.119 29.366 29.700 -0.358 0.000 0.750 440 E HN 0.872 nan 8.360 nan 0.000 0.448 441 E N 0.165 120.296 120.200 -0.116 0.000 2.427 441 E HA -0.128 4.222 4.350 0.001 0.000 0.196 441 E C 1.697 178.257 176.600 -0.068 0.000 1.028 441 E CA 0.473 56.824 56.400 -0.082 0.000 0.864 441 E CB 0.037 29.700 29.700 -0.061 0.000 0.813 441 E HN 0.079 nan 8.360 nan 0.000 0.514 442 K N 0.145 120.502 120.400 -0.071 0.000 2.155 442 K HA -0.035 4.286 4.320 0.001 0.000 0.203 442 K C 1.943 178.503 176.600 -0.065 0.000 1.052 442 K CA 1.038 57.286 56.287 -0.066 0.000 0.948 442 K CB -0.041 32.409 32.500 -0.084 0.000 0.728 442 K HN 0.149 nan 8.250 nan 0.000 0.448 443 M N 0.560 120.115 119.600 -0.075 0.000 2.236 443 M HA -0.076 4.404 4.480 0.001 0.000 0.266 443 M C 1.771 178.021 176.300 -0.084 0.000 1.070 443 M CA 1.167 56.422 55.300 -0.075 0.000 1.137 443 M CB 0.036 32.586 32.600 -0.083 0.000 1.378 443 M HN -0.186 nan 8.290 nan 0.000 0.426 444 V N 0.545 120.405 119.914 -0.091 0.000 2.255 444 V HA -0.285 3.835 4.120 0.001 0.000 0.247 444 V C 2.669 178.723 176.094 -0.067 0.000 1.051 444 V CA 2.113 64.361 62.300 -0.087 0.000 1.018 444 V CB -0.983 30.790 31.823 -0.084 0.000 0.641 444 V HN 0.495 nan 8.190 nan 0.000 0.445 445 R N 0.130 120.597 120.500 -0.056 0.000 2.081 445 R HA -0.137 4.203 4.340 0.001 0.000 0.235 445 R C 2.452 178.726 176.300 -0.043 0.000 1.131 445 R CA 2.017 58.091 56.100 -0.044 0.000 0.960 445 R CB -0.552 29.727 30.300 -0.035 0.000 0.856 445 R HN 0.537 nan 8.270 nan 0.000 0.436 446 S N 1.066 116.739 115.700 -0.046 0.000 2.382 446 S HA -0.076 4.395 4.470 0.001 0.000 0.228 446 S C 1.980 176.553 174.600 -0.045 0.000 1.027 446 S CA 0.980 59.155 58.200 -0.042 0.000 0.991 446 S CB -0.100 63.077 63.200 -0.038 0.000 0.823 446 S HN 0.276 nan 8.310 nan 0.000 0.469 447 L N 0.568 121.759 121.223 -0.054 0.000 2.109 447 L HA 0.025 4.365 4.340 0.001 0.000 0.207 447 L C 2.647 179.487 176.870 -0.051 0.000 1.086 447 L CA 1.006 55.812 54.840 -0.057 0.000 0.760 447 L CB -0.271 41.741 42.059 -0.079 0.000 0.910 447 L HN 0.168 nan 8.230 nan 0.000 0.437 448 R N -0.312 120.158 120.500 -0.051 0.000 2.153 448 R HA -0.078 4.263 4.340 0.001 0.000 0.218 448 R C 1.917 178.193 176.300 -0.038 0.000 1.072 448 R CA 0.726 56.800 56.100 -0.043 0.000 0.990 448 R CB 0.011 30.286 30.300 -0.042 0.000 0.889 448 R HN 0.391 nan 8.270 nan 0.000 0.452 449 E N -0.126 120.050 120.200 -0.040 0.000 2.358 449 E HA 0.008 4.359 4.350 0.001 0.000 0.195 449 E C 0.360 176.930 176.600 -0.050 0.000 1.010 449 E CA 0.276 56.651 56.400 -0.041 0.000 0.856 449 E CB 0.273 29.948 29.700 -0.040 0.000 0.795 449 E HN 0.200 nan 8.360 nan 0.000 0.504 450 M N 0.975 120.545 119.600 -0.050 0.000 2.211 450 M HA 0.225 4.706 4.480 0.001 0.000 0.356 450 M C -0.250 176.025 176.300 -0.041 0.000 1.216 450 M CA 0.375 55.642 55.300 -0.055 0.000 1.134 450 M CB 0.992 33.567 32.600 -0.043 0.000 1.564 450 M HN -0.246 nan 8.290 nan 0.000 0.463 451 R N 3.895 124.370 120.500 -0.043 0.000 2.502 451 R HA 0.609 4.950 4.340 0.001 0.000 0.298 451 R C -1.489 174.808 176.300 -0.006 0.000 1.018 451 R CA -0.438 55.649 56.100 -0.022 0.000 0.899 451 R CB 1.797 32.084 30.300 -0.021 0.000 1.181 451 R HN 0.644 nan 8.270 nan 0.000 0.444 452 I N 3.291 123.868 120.570 0.011 0.000 2.439 452 I HA 0.433 4.603 4.170 0.001 0.000 0.285 452 I C -0.103 176.031 176.117 0.029 0.000 1.021 452 I CA -0.588 60.734 61.300 0.037 0.000 1.091 452 I CB 1.751 39.782 38.000 0.052 0.000 1.242 452 I HN 0.352 nan 8.210 nan 0.000 0.439 453 R N 3.026 123.549 120.500 0.038 0.000 2.758 453 R HA 0.792 5.132 4.340 0.001 0.000 0.265 453 R C 0.847 177.168 176.300 0.035 0.000 1.016 453 R CA -0.088 56.033 56.100 0.035 0.000 1.040 453 R CB 1.611 31.938 30.300 0.044 0.000 1.152 453 R HN 0.833 nan 8.270 nan 0.000 0.503 454 G N -0.360 108.456 108.800 0.026 0.000 2.397 454 G HA2 -0.278 3.682 3.960 0.001 0.000 0.211 454 G HA3 -0.278 3.682 3.960 0.001 0.000 0.211 454 G C -0.070 174.828 174.900 -0.004 0.000 1.077 454 G CA 0.080 45.186 45.100 0.010 0.000 0.649 454 G HN 0.615 nan 8.290 nan 0.000 0.511 455 V N -2.441 117.470 119.914 -0.004 0.000 3.182 455 V HA 0.984 5.104 4.120 0.001 0.000 0.311 455 V C -0.490 175.593 176.094 -0.019 0.000 1.221 455 V CA -1.347 60.945 62.300 -0.014 0.000 1.060 455 V CB 1.727 33.542 31.823 -0.015 0.000 1.164 455 V HN 0.273 nan 8.190 nan 0.000 0.466 456 K N 1.518 121.897 120.400 -0.034 0.000 2.323 456 K HA 0.688 5.008 4.320 0.001 0.000 0.259 456 K C -0.124 176.440 176.600 -0.059 0.000 0.947 456 K CA -0.071 56.189 56.287 -0.045 0.000 0.819 456 K CB 1.809 34.275 32.500 -0.057 0.000 1.109 456 K HN 1.127 nan 8.250 nan 0.000 0.429 457 T N -1.596 112.930 114.554 -0.047 0.000 2.923 457 T HA 0.259 4.609 4.350 0.001 0.000 0.281 457 T C 0.654 175.325 174.700 -0.048 0.000 0.995 457 T CA -0.812 61.266 62.100 -0.037 0.000 0.985 457 T CB 0.829 69.693 68.868 -0.008 0.000 1.114 457 T HN 0.538 nan 8.240 nan 0.000 0.548 458 N N -0.267 118.431 118.700 -0.003 0.000 2.494 458 N HA 0.120 4.861 4.740 0.001 0.000 0.182 458 N C 1.692 177.268 175.510 0.109 0.000 1.076 458 N CA 0.107 53.202 53.050 0.075 0.000 0.908 458 N CB -0.479 38.123 38.487 0.191 0.000 0.967 458 N HN 0.488 nan 8.380 nan 0.000 0.449 459 I N 1.840 122.425 120.570 0.025 0.000 2.091 459 I HA -0.281 3.889 4.170 0.001 0.000 0.240 459 I C -0.487 175.606 176.117 -0.041 0.000 1.046 459 I CA 1.644 62.932 61.300 -0.019 0.000 1.306 459 I CB -1.246 36.739 38.000 -0.025 0.000 1.018 459 I HN 0.160 nan 8.210 nan 0.000 0.404 460 P HA -0.222 nan 4.420 nan 0.000 0.220 460 P C 1.703 178.990 177.300 -0.023 0.000 1.148 460 P CA 1.653 64.737 63.100 -0.027 0.000 0.803 460 P CB -0.296 31.395 31.700 -0.015 0.000 0.782 461 F N 0.952 120.810 119.950 -0.153 0.000 2.163 461 F HA -0.052 4.476 4.527 0.001 0.000 0.297 461 F C 2.067 177.766 175.800 -0.168 0.000 1.094 461 F CA 1.070 58.952 58.000 -0.198 0.000 1.290 461 F CB -1.244 37.573 39.000 -0.305 0.000 1.017 461 F HN -0.315 nan 8.300 nan 0.000 0.483 462 L N 0.350 121.171 121.223 -0.671 0.000 2.131 462 L HA -0.188 4.152 4.340 0.001 0.000 0.210 462 L C 2.453 179.034 176.870 -0.483 0.000 1.092 462 L CA 1.186 55.579 54.840 -0.746 0.000 0.759 462 L CB -0.633 41.194 42.059 -0.388 0.000 0.903 462 L HN 0.238 nan 8.230 nan 0.000 0.435 463 I N -0.253 120.134 120.570 -0.305 0.000 2.252 463 I HA -0.260 3.910 4.170 0.001 0.000 0.245 463 I C 1.992 177.979 176.117 -0.216 0.000 1.102 463 I CA 1.096 62.266 61.300 -0.217 0.000 1.385 463 I CB -0.391 37.528 38.000 -0.136 0.000 1.064 463 I HN 0.291 nan 8.210 nan 0.000 0.414 464 N N 0.466 119.036 118.700 -0.217 0.000 2.223 464 N HA -0.132 4.608 4.740 0.001 0.000 0.185 464 N C 1.823 177.212 175.510 -0.202 0.000 1.016 464 N CA 1.046 53.999 53.050 -0.161 0.000 0.863 464 N CB -0.430 37.995 38.487 -0.103 0.000 0.983 464 N HN 0.134 nan 8.380 nan 0.000 0.429 465 V N 0.684 120.370 119.914 -0.379 0.000 2.295 465 V HA -0.200 3.921 4.120 0.001 0.000 0.246 465 V C 2.225 178.001 176.094 -0.529 0.000 1.049 465 V CA 1.292 63.311 62.300 -0.469 0.000 1.024 465 V CB -0.403 30.981 31.823 -0.732 0.000 0.648 465 V HN 0.309 nan 8.190 nan 0.000 0.447 466 M N -0.614 118.721 119.600 -0.443 0.000 2.175 466 M HA -0.034 4.446 4.480 0.001 0.000 0.264 466 M C 1.271 177.496 176.300 -0.126 0.000 1.063 466 M CA 1.329 56.456 55.300 -0.288 0.000 1.119 466 M CB -0.771 31.688 32.600 -0.235 0.000 1.377 466 M HN 0.167 nan 8.290 nan 0.000 0.415 467 K N 1.575 121.906 120.400 -0.114 0.000 3.129 467 K HA 0.186 4.506 4.320 0.001 0.000 0.241 467 K C -0.297 176.302 176.600 -0.000 0.000 1.239 467 K CA -0.032 56.225 56.287 -0.051 0.000 1.239 467 K CB -0.655 31.811 32.500 -0.056 0.000 1.347 467 K HN 0.179 nan 8.250 nan 0.000 0.435 468 N N 1.251 119.984 118.700 0.055 0.000 2.399 468 N HA 0.143 4.884 4.740 0.001 0.000 0.280 468 N C 0.536 176.145 175.510 0.166 0.000 1.008 468 N CA -0.160 52.973 53.050 0.138 0.000 0.894 468 N CB 1.249 39.879 38.487 0.238 0.000 1.273 468 N HN -0.041 nan 8.380 nan 0.000 0.486 469 K N 2.056 122.536 120.400 0.133 0.000 2.063 469 K HA -0.103 4.217 4.320 0.001 0.000 0.208 469 K C 1.150 177.826 176.600 0.126 0.000 1.048 469 K CA 1.343 57.696 56.287 0.109 0.000 0.928 469 K CB 0.248 32.801 32.500 0.088 0.000 0.713 469 K HN 0.477 nan 8.250 nan 0.000 0.442 470 K N -0.347 120.162 120.400 0.183 0.000 2.366 470 K HA -0.048 4.273 4.320 0.001 0.000 0.198 470 K C 1.732 178.363 176.600 0.052 0.000 1.044 470 K CA 0.482 56.869 56.287 0.168 0.000 0.973 470 K CB 0.064 32.742 32.500 0.296 0.000 0.767 470 K HN 0.099 nan 8.250 nan 0.000 0.475 471 F N 1.166 121.038 119.950 -0.130 0.000 2.179 471 F HA -0.122 4.405 4.527 0.001 0.000 0.292 471 F C 2.055 177.883 175.800 0.046 0.000 1.089 471 F CA 1.170 58.995 58.000 -0.291 0.000 1.295 471 F CB -0.062 38.730 39.000 -0.346 0.000 1.041 471 F HN -0.140 nan 8.300 nan 0.000 0.487 472 T N -0.069 114.536 114.554 0.086 0.000 2.746 472 T HA -0.210 4.140 4.350 0.001 0.000 0.267 472 T C 2.235 176.990 174.700 0.092 0.000 1.039 472 T CA 1.643 63.805 62.100 0.103 0.000 1.142 472 T CB -0.754 68.149 68.868 0.058 0.000 0.866 472 T HN 0.463 nan 8.240 nan 0.000 0.444 473 S N 0.771 116.493 115.700 0.035 0.000 2.400 473 S HA 0.051 4.521 4.470 0.001 0.000 0.232 473 S C 2.148 176.707 174.600 -0.068 0.000 1.025 473 S CA 1.567 59.767 58.200 -0.000 0.000 0.993 473 S CB -0.714 62.498 63.200 0.020 0.000 0.808 473 S HN 0.833 nan 8.310 nan 0.000 0.478 474 G N 1.821 110.567 108.800 -0.090 0.000 2.313 474 G HA2 -0.216 3.744 3.960 0.001 0.000 0.215 474 G HA3 -0.216 3.744 3.960 0.001 0.000 0.215 474 G C -0.283 174.508 174.900 -0.183 0.000 1.023 474 G CA 0.066 45.049 45.100 -0.195 0.000 0.626 474 G HN 0.843 nan 8.290 nan 0.000 0.503 475 D N 1.172 121.512 120.400 -0.101 0.000 2.374 475 D HA 0.506 5.146 4.640 0.001 0.000 0.240 475 D C -0.046 176.252 176.300 -0.004 0.000 1.229 475 D CA -0.126 53.808 54.000 -0.110 0.000 0.895 475 D CB -0.327 40.439 40.800 -0.057 0.000 1.046 475 D HN 0.844 nan 8.370 nan 0.000 0.498 476 Y N -0.975 119.259 120.300 -0.111 0.000 2.544 476 Y HA 0.604 5.154 4.550 0.001 0.000 0.342 476 Y C -0.323 175.578 175.900 0.003 0.000 1.062 476 Y CA -1.198 56.851 58.100 -0.084 0.000 1.023 476 Y CB 1.082 39.335 38.460 -0.344 0.000 1.308 476 Y HN 0.282 nan 8.280 nan 0.000 0.457 477 T N -2.809 111.883 114.554 0.230 0.000 2.844 477 T HA 0.309 4.659 4.350 0.001 0.000 0.274 477 T C 0.945 175.815 174.700 0.283 0.000 0.991 477 T CA -0.129 62.072 62.100 0.168 0.000 0.983 477 T CB 0.953 69.892 68.868 0.119 0.000 1.310 477 T HN 0.983 nan 8.240 nan 0.000 0.596 478 T N -1.544 113.129 114.554 0.199 0.000 3.098 478 T HA 0.059 4.409 4.350 0.001 0.000 0.266 478 T C 1.239 176.040 174.700 0.167 0.000 1.145 478 T CA 0.320 62.529 62.100 0.181 0.000 1.092 478 T CB -0.307 68.624 68.868 0.106 0.000 0.908 478 T HN 0.467 nan 8.240 nan 0.000 0.526 479 K N 0.031 120.540 120.400 0.181 0.000 2.404 479 K HA 0.256 4.576 4.320 0.001 0.000 0.194 479 K C 1.256 177.974 176.600 0.197 0.000 1.023 479 K CA -0.220 56.153 56.287 0.144 0.000 1.094 479 K CB -0.427 32.136 32.500 0.106 0.000 0.841 479 K HN 0.426 nan 8.250 nan 0.000 0.523 480 F N 2.197 122.227 119.950 0.134 0.000 2.065 480 F HA -0.217 4.311 4.527 0.001 0.000 0.298 480 F C 1.812 177.683 175.800 0.119 0.000 1.112 480 F CA 1.485 59.572 58.000 0.144 0.000 1.212 480 F CB -0.239 38.875 39.000 0.190 0.000 0.975 480 F HN -0.131 nan 8.300 nan 0.000 0.476 481 I N 0.164 120.735 120.570 0.003 0.000 2.202 481 I HA -0.270 3.900 4.170 0.001 0.000 0.242 481 I C 2.278 178.374 176.117 -0.036 0.000 1.091 481 I CA 1.706 62.967 61.300 -0.066 0.000 1.368 481 I CB -0.665 37.391 38.000 0.094 0.000 1.058 481 I HN 0.180 nan 8.210 nan 0.000 0.410 482 E N 0.939 121.137 120.200 -0.003 0.000 2.085 482 E HA -0.255 4.095 4.350 0.001 0.000 0.194 482 E C 1.467 178.046 176.600 -0.034 0.000 0.994 482 E CA 1.524 57.914 56.400 -0.017 0.000 0.801 482 E CB -0.139 29.554 29.700 -0.011 0.000 0.743 482 E HN 0.638 nan 8.360 nan 0.000 0.453 483 E N 0.299 120.479 120.200 -0.033 0.000 2.437 483 E HA 0.070 4.420 4.350 0.001 0.000 0.195 483 E C -0.513 176.048 176.600 -0.065 0.000 1.029 483 E CA 0.010 56.392 56.400 -0.029 0.000 0.948 483 E CB 0.581 30.288 29.700 0.010 0.000 1.082 483 E HN -0.146 nan 8.360 nan 0.000 0.456 484 T N 3.045 117.519 114.554 -0.134 0.000 3.241 484 T HA 0.201 4.551 4.350 0.001 0.000 0.387 484 T C -2.043 172.626 174.700 -0.051 0.000 1.451 484 T CA -1.335 60.671 62.100 -0.158 0.000 1.363 484 T CB 1.458 70.070 68.868 -0.427 0.000 1.074 484 T HN 0.087 nan 8.240 nan 0.000 0.598 485 P HA -0.051 nan 4.420 nan 0.000 0.229 485 P C 1.220 178.576 177.300 0.093 0.000 1.160 485 P CA 0.667 63.784 63.100 0.028 0.000 0.777 485 P CB 0.385 32.072 31.700 -0.022 0.000 0.814 486 E N -0.179 120.059 120.200 0.063 0.000 2.511 486 E HA -0.031 4.319 4.350 0.001 0.000 0.196 486 E C 1.102 177.761 176.600 0.100 0.000 1.066 486 E CA 0.179 56.623 56.400 0.072 0.000 0.871 486 E CB -0.513 29.210 29.700 0.038 0.000 0.863 486 E HN 0.193 nan 8.360 nan 0.000 0.520 487 L N -0.333 120.978 121.223 0.145 0.000 2.591 487 L HA 0.170 4.510 4.340 0.001 0.000 0.228 487 L C 0.960 177.919 176.870 0.150 0.000 1.133 487 L CA 0.637 55.573 54.840 0.160 0.000 0.880 487 L CB -0.341 41.825 42.059 0.178 0.000 1.033 487 L HN 0.031 nan 8.230 nan 0.000 0.450 488 F N -1.450 118.533 119.950 0.055 0.000 2.693 488 F HA 0.172 4.699 4.527 0.000 0.000 0.303 488 F C 0.993 176.800 175.800 0.011 0.000 1.097 488 F CA -0.556 57.451 58.000 0.011 0.000 1.330 488 F CB 0.011 38.989 39.000 -0.038 0.000 1.067 488 F HN -0.088 nan 8.300 nan 0.000 0.565 489 D N 2.015 122.502 120.400 0.147 0.000 2.367 489 D HA 0.083 4.723 4.640 0.001 0.000 0.255 489 D C 0.140 176.471 176.300 0.052 0.000 1.300 489 D CA 0.241 54.292 54.000 0.085 0.000 0.959 489 D CB 0.130 40.966 40.800 0.060 0.000 1.064 489 D HN 0.131 nan 8.370 nan 0.000 0.509 490 I N 3.040 123.637 120.570 0.045 0.000 2.517 490 I HA -0.034 4.136 4.170 0.001 0.000 0.285 490 I C 0.767 176.891 176.117 0.011 0.000 1.106 490 I CA -0.092 61.220 61.300 0.020 0.000 1.402 490 I CB 0.735 38.742 38.000 0.013 0.000 1.399 490 I HN 0.164 nan 8.210 nan 0.000 0.535 491 Q N 9.385 129.186 119.800 0.002 0.000 2.274 491 Q HA 0.332 4.672 4.340 0.001 0.000 0.256 491 Q C -2.211 173.786 176.000 -0.005 0.000 0.927 491 Q CA -1.753 54.049 55.803 -0.001 0.000 0.939 491 Q CB 1.026 29.760 28.738 -0.006 0.000 1.201 491 Q HN 0.299 nan 8.270 nan 0.000 0.426 492 P HA -0.016 nan 4.420 nan 0.000 0.263 492 P C -0.940 176.355 177.300 -0.008 0.000 1.345 492 P CA 0.120 63.217 63.100 -0.006 0.000 1.119 492 P CB 0.244 31.942 31.700 -0.003 0.000 1.363 493 S N 4.198 119.892 115.700 -0.011 0.000 2.955 493 S HA 0.269 4.740 4.470 0.001 0.000 0.294 493 S C 0.195 174.789 174.600 -0.010 0.000 1.198 493 S CA -0.645 57.548 58.200 -0.011 0.000 1.008 493 S CB -0.732 62.459 63.200 -0.015 0.000 1.279 493 S HN 0.147 nan 8.310 nan 0.000 0.508 494 L N 3.559 124.777 121.223 -0.008 0.000 2.436 494 L HA 0.403 4.743 4.340 0.001 0.000 0.265 494 L C 0.690 177.557 176.870 -0.005 0.000 1.168 494 L CA 0.142 54.978 54.840 -0.007 0.000 0.815 494 L CB 0.558 42.613 42.059 -0.006 0.000 1.109 494 L HN 0.433 nan 8.230 nan 0.000 0.462 495 D N 0.639 121.039 120.400 -0.001 0.000 2.456 495 D HA 0.236 4.876 4.640 0.001 0.000 0.287 495 D C 1.016 177.320 176.300 0.005 0.000 1.186 495 D CA -0.405 53.595 54.000 0.001 0.000 0.916 495 D CB 0.485 41.286 40.800 0.002 0.000 1.029 495 D HN 0.324 nan 8.370 nan 0.000 0.498 496 R N 0.703 121.205 120.500 0.003 0.000 2.140 496 R HA -0.143 4.198 4.340 0.001 0.000 0.250 496 R C 2.154 178.455 176.300 0.001 0.000 1.150 496 R CA 1.696 57.800 56.100 0.005 0.000 0.966 496 R CB -0.551 29.750 30.300 0.001 0.000 0.869 496 R HN 0.369 nan 8.270 nan 0.000 0.445 497 G N -0.063 108.730 108.800 -0.010 0.000 2.552 497 G HA2 -0.288 3.672 3.960 0.001 0.000 0.216 497 G HA3 -0.288 3.672 3.960 0.001 0.000 0.216 497 G C 1.353 176.232 174.900 -0.035 0.000 1.240 497 G CA 1.473 46.556 45.100 -0.029 0.000 0.796 497 G HN 0.324 nan 8.290 nan 0.000 0.568 498 T N 1.088 115.632 114.554 -0.017 0.000 2.653 498 T HA -0.168 4.183 4.350 0.001 0.000 0.268 498 T C 2.301 177.021 174.700 0.032 0.000 1.035 498 T CA 1.759 63.857 62.100 -0.002 0.000 1.154 498 T CB -0.257 68.623 68.868 0.020 0.000 0.862 498 T HN 0.325 nan 8.240 nan 0.000 0.441 499 K N 0.473 120.909 120.400 0.061 0.000 2.063 499 K HA -0.104 4.216 4.320 0.001 0.000 0.208 499 K C 2.616 179.321 176.600 0.175 0.000 1.048 499 K CA 1.628 58.000 56.287 0.141 0.000 0.928 499 K CB -0.475 32.095 32.500 0.117 0.000 0.713 499 K HN 0.315 nan 8.250 nan 0.000 0.442 500 T N 2.048 116.645 114.554 0.070 0.000 2.788 500 T HA -0.081 4.269 4.350 0.001 0.000 0.268 500 T C 1.858 176.556 174.700 -0.003 0.000 1.044 500 T CA 0.954 63.075 62.100 0.035 0.000 1.139 500 T CB -0.121 68.735 68.868 -0.019 0.000 0.867 500 T HN 0.125 nan 8.240 nan 0.000 0.454 501 L N 0.458 121.618 121.223 -0.106 0.000 2.093 501 L HA -0.048 4.292 4.340 0.001 0.000 0.208 501 L C 2.676 179.542 176.870 -0.007 0.000 1.085 501 L CA 1.321 55.992 54.840 -0.282 0.000 0.755 501 L CB -0.485 41.302 42.059 -0.453 0.000 0.904 501 L HN 0.314 nan 8.230 nan 0.000 0.435 502 E N -0.843 119.415 120.200 0.096 0.000 2.107 502 E HA -0.237 4.113 4.350 0.001 0.000 0.191 502 E C 1.948 178.624 176.600 0.126 0.000 0.982 502 E CA 1.058 57.570 56.400 0.186 0.000 0.809 502 E CB -0.066 29.799 29.700 0.274 0.000 0.756 502 E HN 0.414 nan 8.360 nan 0.000 0.459 503 Y N 1.112 121.326 120.300 -0.144 0.000 2.089 503 Y HA -0.239 4.312 4.550 0.001 0.000 0.282 503 Y C 1.979 177.709 175.900 -0.283 0.000 1.139 503 Y CA 1.683 59.408 58.100 -0.624 0.000 1.123 503 Y CB -0.162 37.892 38.460 -0.676 0.000 0.980 503 Y HN -0.075 nan 8.280 nan 0.000 0.493 504 I N 0.368 120.924 120.570 -0.024 0.000 2.163 504 I HA -0.316 3.854 4.170 0.001 0.000 0.243 504 I C 2.716 178.824 176.117 -0.015 0.000 1.085 504 I CA 1.667 62.965 61.300 -0.004 0.000 1.347 504 I CB -1.083 37.008 38.000 0.151 0.000 1.044 504 I HN 0.436 nan 8.210 nan 0.000 0.408 505 G N 0.221 109.080 108.800 0.099 0.000 2.469 505 G HA2 -0.344 3.617 3.960 0.001 0.000 0.219 505 G HA3 -0.344 3.617 3.960 0.001 0.000 0.219 505 G C 1.444 176.337 174.900 -0.011 0.000 1.150 505 G CA 1.283 46.444 45.100 0.100 0.000 0.763 505 G HN 0.485 nan 8.290 nan 0.000 0.561 506 N N -0.245 118.404 118.700 -0.085 0.000 2.080 506 N HA -0.116 4.624 4.740 0.001 0.000 0.189 506 N C 2.344 177.753 175.510 -0.167 0.000 1.036 506 N CA 1.356 54.340 53.050 -0.110 0.000 0.846 506 N CB -0.070 38.343 38.487 -0.124 0.000 1.015 506 N HN 0.174 nan 8.380 nan 0.000 0.423 507 V N 0.961 120.684 119.914 -0.318 0.000 2.261 507 V HA -0.220 3.901 4.120 0.001 0.000 0.246 507 V C 2.297 178.331 176.094 -0.099 0.000 1.047 507 V CA 1.957 64.108 62.300 -0.247 0.000 1.015 507 V CB -0.988 30.613 31.823 -0.371 0.000 0.642 507 V HN 0.430 nan 8.190 nan 0.000 0.446 508 T N 0.150 114.664 114.554 -0.068 0.000 2.737 508 T HA -0.181 4.169 4.350 0.001 0.000 0.269 508 T C 1.727 176.426 174.700 -0.001 0.000 1.040 508 T CA 2.033 64.130 62.100 -0.005 0.000 1.142 508 T CB -0.253 68.622 68.868 0.010 0.000 0.861 508 T HN 0.381 nan 8.240 nan 0.000 0.456 509 I N 0.465 121.027 120.570 -0.013 0.000 2.494 509 I HA 0.025 4.196 4.170 0.001 0.000 0.250 509 I C 1.890 178.008 176.117 0.001 0.000 1.112 509 I CA 0.744 62.045 61.300 0.002 0.000 1.438 509 I CB -0.023 37.982 38.000 0.008 0.000 1.111 509 I HN 0.114 nan 8.210 nan 0.000 0.431 510 N N 0.729 119.418 118.700 -0.018 0.000 2.236 510 N HA 0.170 4.911 4.740 0.001 0.000 0.196 510 N C 0.756 176.251 175.510 -0.025 0.000 1.114 510 N CA 0.765 53.804 53.050 -0.019 0.000 0.859 510 N CB 0.989 39.461 38.487 -0.025 0.000 0.982 510 N HN 0.384 nan 8.380 nan 0.000 0.493 511 G N 1.464 110.251 108.800 -0.020 0.000 2.750 511 G HA2 -0.275 3.685 3.960 0.001 0.000 0.228 511 G HA3 -0.275 3.685 3.960 0.001 0.000 0.228 511 G C -0.948 173.964 174.900 0.021 0.000 1.367 511 G CA -0.494 44.605 45.100 -0.001 0.000 0.871 511 G HN 0.252 nan 8.290 nan 0.000 0.560 512 F N 1.067 120.936 119.950 -0.134 0.000 2.556 512 F HA 0.662 5.189 4.527 0.001 0.000 0.314 512 F C -1.941 173.834 175.800 -0.043 0.000 1.106 512 F CA -1.776 56.161 58.000 -0.105 0.000 0.911 512 F CB 2.055 40.980 39.000 -0.126 0.000 1.190 512 F HN 0.523 nan 8.300 nan 0.000 0.448 516 V N 1.404 121.264 119.914 -0.091 0.000 2.459 516 V HA 0.340 4.460 4.120 0.001 0.000 0.295 516 V C 0.326 176.327 176.094 -0.155 0.000 1.029 516 V CA -0.839 61.308 62.300 -0.256 0.000 0.874 516 V CB 2.363 33.966 31.823 -0.367 0.000 0.985 516 V HN 0.062 nan 8.190 nan 0.000 0.438 517 E N 4.212 124.329 120.200 -0.138 0.000 2.290 517 E HA 0.133 4.483 4.350 0.001 0.000 0.277 517 E C -0.260 176.353 176.600 0.022 0.000 1.035 517 E CA -0.713 55.657 56.400 -0.050 0.000 0.873 517 E CB 0.598 30.272 29.700 -0.043 0.000 1.029 517 E HN 0.406 nan 8.360 nan 0.000 0.419 518 K N 5.645 126.058 120.400 0.022 0.000 2.046 518 K HA -0.038 4.283 4.320 0.001 0.000 0.248 518 K C 0.176 176.826 176.600 0.084 0.000 1.123 518 K CA 0.504 56.828 56.287 0.062 0.000 1.145 518 K CB -0.426 32.091 32.500 0.029 0.000 1.028 518 K HN 0.520 nan 8.250 nan 0.000 0.354 519 R N 1.515 122.115 120.500 0.168 0.000 2.888 519 R HA 0.558 4.898 4.340 0.001 0.000 0.264 519 R C -2.676 173.646 176.300 0.037 0.000 1.045 519 R CA -1.756 54.398 56.100 0.089 0.000 0.962 519 R CB 0.478 30.818 30.300 0.066 0.000 1.210 519 R HN 0.019 nan 8.270 nan 0.000 0.479 520 P HA 0.035 nan 4.420 nan 0.000 0.268 520 P C -0.939 176.157 177.300 -0.341 0.000 1.205 520 P CA -0.191 62.825 63.100 -0.140 0.000 0.771 520 P CB 0.710 32.333 31.700 -0.128 0.000 0.858 521 K N 3.775 123.966 120.400 -0.348 0.000 2.524 521 K HA 0.032 4.352 4.320 0.001 0.000 0.279 521 K C -1.747 174.587 176.600 -0.443 0.000 0.993 521 K CA -0.882 55.067 56.287 -0.563 0.000 1.030 521 K CB -0.060 32.300 32.500 -0.234 0.000 0.891 521 K HN 0.321 nan 8.250 nan 0.000 0.488 522 P HA -0.043 nan 4.420 nan 0.000 0.330 522 P C -0.753 176.511 177.300 -0.060 0.000 1.434 522 P CA -0.151 62.851 63.100 -0.163 0.000 0.873 522 P CB 0.174 31.817 31.700 -0.095 0.000 2.146 523 D N -1.631 118.758 120.400 -0.017 0.000 2.706 523 D HA -0.228 4.412 4.640 0.001 0.000 0.230 523 D C 0.387 176.717 176.300 0.049 0.000 1.184 523 D CA 0.530 54.538 54.000 0.013 0.000 0.628 523 D CB -0.801 39.961 40.800 -0.064 0.000 1.019 523 D HN 0.454 nan 8.370 nan 0.000 0.415 524 Y N 0.092 120.381 120.300 -0.017 0.000 2.389 524 Y HA 0.204 4.755 4.550 0.001 0.000 0.292 524 Y C 1.017 176.916 175.900 -0.001 0.000 1.117 524 Y CA 0.198 58.283 58.100 -0.025 0.000 1.195 524 Y CB 0.138 38.572 38.460 -0.043 0.000 1.076 524 Y HN -0.063 nan 8.280 nan 0.000 0.548 525 E N 1.717 121.500 120.200 -0.694 0.000 1.893 525 E HA 0.217 4.567 4.350 0.001 0.000 0.269 525 E C -1.203 175.264 176.600 -0.222 0.000 1.129 525 E CA -0.131 55.909 56.400 -0.600 0.000 0.904 525 E CB -0.220 29.199 29.700 -0.469 0.000 1.077 525 E HN 0.397 nan 8.360 nan 0.000 0.407 526 L N 3.958 125.073 121.223 -0.180 0.000 2.416 526 L HA 0.237 4.577 4.340 0.001 0.000 0.243 526 L C 0.158 176.986 176.870 -0.070 0.000 1.373 526 L CA 0.098 54.889 54.840 -0.083 0.000 1.227 526 L CB -0.436 41.585 42.059 -0.063 0.000 1.428 526 L HN 0.480 nan 8.230 nan 0.000 0.425 527 A N 0.745 123.528 122.820 -0.061 0.000 2.302 527 A HA 0.455 4.775 4.320 0.001 0.000 0.295 527 A C 0.633 178.217 177.584 -0.000 0.000 1.235 527 A CA -0.242 51.769 52.037 -0.043 0.000 0.876 527 A CB 0.348 19.315 19.000 -0.055 0.000 1.133 527 A HN 0.361 nan 8.150 nan 0.000 0.533 528 S N 2.317 118.016 115.700 -0.002 0.000 2.510 528 S HA 0.309 4.779 4.470 0.001 0.000 0.279 528 S C 0.266 174.887 174.600 0.035 0.000 1.284 528 S CA -0.290 57.917 58.200 0.013 0.000 1.059 528 S CB -0.379 62.819 63.200 -0.004 0.000 0.901 528 S HN 0.492 nan 8.310 nan 0.000 0.491 529 I N 7.699 128.299 120.570 0.050 0.000 2.452 529 I HA 0.193 4.364 4.170 0.001 0.000 0.287 529 I C -1.512 174.593 176.117 -0.020 0.000 1.079 529 I CA -1.684 59.645 61.300 0.049 0.000 1.387 529 I CB 0.215 38.242 38.000 0.045 0.000 1.404 529 I HN 0.457 nan 8.210 nan 0.000 0.522 530 P HA 0.107 nan 4.420 nan 0.000 0.268 530 P C -0.392 176.866 177.300 -0.069 0.000 1.205 530 P CA -0.080 62.992 63.100 -0.048 0.000 0.771 530 P CB 1.222 32.896 31.700 -0.043 0.000 0.858 531 T N 0.778 115.309 114.554 -0.038 0.000 2.896 531 T HA 0.504 4.854 4.350 0.001 0.000 0.297 531 T C -1.384 173.311 174.700 -0.007 0.000 1.108 531 T CA -0.517 61.565 62.100 -0.030 0.000 1.004 531 T CB 1.237 70.090 68.868 -0.025 0.000 1.159 531 T HN 0.113 nan 8.240 nan 0.000 0.499 532 V N 2.564 122.482 119.914 0.007 0.000 2.638 532 V HA 0.550 4.670 4.120 0.001 0.000 0.306 532 V C 0.396 176.496 176.094 0.010 0.000 1.052 532 V CA -0.958 61.357 62.300 0.025 0.000 0.885 532 V CB 1.926 33.793 31.823 0.073 0.000 0.999 532 V HN 1.045 nan 8.190 nan 0.000 0.424 533 S N 2.709 118.403 115.700 -0.009 0.000 2.561 533 S HA -0.021 4.449 4.470 0.001 0.000 0.294 533 S C 1.594 176.163 174.600 -0.053 0.000 1.294 533 S CA 0.410 58.590 58.200 -0.033 0.000 1.055 533 S CB 0.751 63.923 63.200 -0.048 0.000 0.819 533 S HN 1.237 nan 8.310 nan 0.000 0.503 534 S N 3.636 119.306 115.700 -0.050 0.000 2.453 534 S HA -0.051 4.419 4.470 0.001 0.000 0.231 534 S C 1.943 176.480 174.600 -0.105 0.000 1.005 534 S CA 0.961 59.125 58.200 -0.060 0.000 0.949 534 S CB -0.543 62.634 63.200 -0.038 0.000 0.774 534 S HN 0.646 nan 8.310 nan 0.000 0.510 535 S N 3.290 118.928 115.700 -0.104 0.000 2.359 535 S HA -0.161 4.309 4.470 0.001 0.000 0.223 535 S C 2.023 176.499 174.600 -0.206 0.000 1.039 535 S CA 1.771 59.897 58.200 -0.124 0.000 1.042 535 S CB -0.385 62.758 63.200 -0.095 0.000 0.915 535 S HN 0.884 nan 8.310 nan 0.000 0.439 536 K N 0.960 121.199 120.400 -0.268 0.000 2.288 536 K HA 0.083 4.403 4.320 0.001 0.000 0.201 536 K C 0.548 176.555 176.600 -0.990 0.000 1.048 536 K CA 0.622 56.610 56.287 -0.499 0.000 0.956 536 K CB -0.403 31.863 32.500 -0.390 0.000 0.746 536 K HN 0.294 nan 8.250 nan 0.000 0.461 537 I N 2.758 122.957 120.570 -0.618 0.000 2.624 537 I HA -0.004 4.166 4.170 0.001 0.000 0.307 537 I C -0.827 175.131 176.117 -0.264 0.000 1.191 537 I CA 0.762 61.812 61.300 -0.418 0.000 1.708 537 I CB -1.102 36.874 38.000 -0.041 0.000 1.521 537 I HN 0.163 nan 8.210 nan 0.000 0.805 538 F N 1.961 121.897 119.950 -0.023 0.000 2.187 538 F HA -0.183 4.344 4.527 0.001 0.000 0.320 538 F C 0.121 175.898 175.800 -0.037 0.000 1.267 538 F CA -0.573 57.414 58.000 -0.022 0.000 0.916 538 F CB -0.438 38.553 39.000 -0.015 0.000 4.104 538 F HN 0.199 nan 8.300 nan 0.000 0.161 539 S N 2.482 118.288 115.700 0.176 0.000 2.269 539 S HA 0.654 5.124 4.470 0.001 0.000 0.194 539 S C 0.118 174.708 174.600 -0.017 0.000 1.547 539 S CA 0.279 58.506 58.200 0.045 0.000 1.186 539 S CB 0.306 63.519 63.200 0.021 0.000 1.069 539 S HN 0.985 nan 8.310 nan 0.000 0.473 540 G N 1.347 110.122 108.800 -0.041 0.000 2.736 540 G HA2 0.319 4.279 3.960 0.001 0.000 0.229 540 G HA3 0.319 4.279 3.960 0.001 0.000 0.229 540 G C 1.150 175.932 174.900 -0.197 0.000 1.380 540 G CA 0.185 45.220 45.100 -0.107 0.000 1.040 540 G HN 0.578 nan 8.290 nan 0.000 0.568 541 T N -1.357 113.057 114.554 -0.233 0.000 2.915 541 T HA -0.057 4.293 4.350 0.001 0.000 0.269 541 T C 2.028 176.568 174.700 -0.267 0.000 1.071 541 T CA 1.301 63.203 62.100 -0.329 0.000 1.132 541 T CB -0.050 68.616 68.868 -0.337 0.000 0.878 541 T HN 0.260 nan 8.240 nan 0.000 0.479 542 K N 1.307 121.589 120.400 -0.197 0.000 2.002 542 K HA -0.106 4.214 4.320 0.001 0.000 0.209 542 K C 2.456 178.961 176.600 -0.159 0.000 1.048 542 K CA 1.663 57.846 56.287 -0.173 0.000 0.930 542 K CB -0.508 31.902 32.500 -0.149 0.000 0.714 542 K HN 0.346 nan 8.250 nan 0.000 0.438 543 Q N 0.640 120.354 119.800 -0.143 0.000 2.096 543 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 543 Q C 1.946 177.857 176.000 -0.148 0.000 0.982 543 Q CA 1.100 56.828 55.803 -0.125 0.000 0.850 543 Q CB -0.383 28.296 28.738 -0.099 0.000 0.901 543 Q HN 0.186 nan 8.270 nan 0.000 0.422 544 L N -0.113 120.983 121.223 -0.210 0.000 2.079 544 L HA -0.133 4.207 4.340 0.001 0.000 0.210 544 L C 1.872 178.635 176.870 -0.179 0.000 1.081 544 L CA 1.413 56.106 54.840 -0.245 0.000 0.752 544 L CB -0.708 41.090 42.059 -0.436 0.000 0.896 544 L HN 0.336 nan 8.230 nan 0.000 0.433 545 L N -0.583 120.540 121.223 -0.167 0.000 2.046 545 L HA -0.182 4.158 4.340 0.001 0.000 0.208 545 L C 2.014 178.826 176.870 -0.096 0.000 1.077 545 L CA 1.869 56.636 54.840 -0.122 0.000 0.747 545 L CB -0.980 41.005 42.059 -0.123 0.000 0.896 545 L HN 0.322 nan 8.230 nan 0.000 0.432 546 D N -0.501 119.840 120.400 -0.099 0.000 2.178 546 D HA -0.158 4.483 4.640 0.001 0.000 0.201 546 D C 1.930 178.190 176.300 -0.067 0.000 0.980 546 D CA 1.062 55.015 54.000 -0.078 0.000 0.842 546 D CB 0.023 40.775 40.800 -0.079 0.000 0.948 546 D HN 0.477 nan 8.370 nan 0.000 0.472 547 E N 0.460 120.614 120.200 -0.077 0.000 2.014 547 E HA -0.072 4.278 4.350 0.001 0.000 0.190 547 E C 2.478 179.049 176.600 -0.048 0.000 0.980 547 E CA 0.892 57.255 56.400 -0.062 0.000 0.807 547 E CB -0.428 29.228 29.700 -0.073 0.000 0.770 547 E HN 0.338 nan 8.360 nan 0.000 0.451 548 V N -2.881 117.002 119.914 -0.052 0.000 3.565 548 V HA 0.453 4.573 4.120 0.001 0.000 0.260 548 V C 1.042 177.119 176.094 -0.029 0.000 1.231 548 V CA 0.497 62.779 62.300 -0.030 0.000 1.100 548 V CB -0.333 31.481 31.823 -0.014 0.000 0.807 548 V HN 0.307 nan 8.190 nan 0.000 0.454 549 G N 0.661 109.433 108.800 -0.047 0.000 2.757 549 G HA2 -0.110 3.850 3.960 0.001 0.000 0.638 549 G HA3 -0.110 3.850 3.960 0.001 0.000 0.638 549 G C -1.710 173.140 174.900 -0.084 0.000 1.344 549 G CA -0.221 44.846 45.100 -0.055 0.000 0.855 549 G HN 0.270 nan 8.290 nan 0.000 0.537 550 P HA -0.022 nan 4.420 nan 0.000 0.216 550 P C 1.851 178.962 177.300 -0.316 0.000 1.153 550 P CA 1.885 64.781 63.100 -0.340 0.000 0.848 550 P CB -0.023 31.277 31.700 -0.667 0.000 0.787 551 K N -0.669 119.625 120.400 -0.176 0.000 2.103 551 K HA -0.074 4.246 4.320 0.001 0.000 0.207 551 K C 2.366 178.993 176.600 0.044 0.000 1.048 551 K CA 1.608 57.904 56.287 0.015 0.000 0.930 551 K CB -1.085 31.458 32.500 0.073 0.000 0.716 551 K HN 0.163 nan 8.250 nan 0.000 0.444 552 G N 1.043 109.857 108.800 0.024 0.000 2.421 552 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 552 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 552 G C 1.588 176.557 174.900 0.115 0.000 1.171 552 G CA 0.842 45.977 45.100 0.058 0.000 0.775 552 G HN 0.100 nan 8.290 nan 0.000 0.543 553 V N 1.731 121.699 119.914 0.090 0.000 2.332 553 V HA -0.176 3.944 4.120 0.001 0.000 0.248 553 V C 3.335 179.603 176.094 0.290 0.000 1.055 553 V CA 2.033 64.443 62.300 0.184 0.000 1.038 553 V CB -1.021 30.877 31.823 0.126 0.000 0.651 553 V HN 0.490 nan 8.190 nan 0.000 0.450 554 A N -0.184 122.755 122.820 0.199 0.000 1.883 554 A HA -0.223 4.097 4.320 0.001 0.000 0.217 554 A C 2.213 179.888 177.584 0.150 0.000 1.186 554 A CA 1.796 53.941 52.037 0.181 0.000 0.624 554 A CB -0.447 18.656 19.000 0.172 0.000 0.822 554 A HN 0.549 nan 8.150 nan 0.000 0.444 555 E N -1.349 118.939 120.200 0.147 0.000 2.110 555 E HA -0.227 4.124 4.350 0.001 0.000 0.193 555 E C 1.709 178.395 176.600 0.144 0.000 0.988 555 E CA 1.226 57.697 56.400 0.118 0.000 0.804 555 E CB -0.437 29.328 29.700 0.108 0.000 0.745 555 E HN 0.873 nan 8.360 nan 0.000 0.458 556 W N 1.972 123.290 121.300 0.030 0.000 2.329 556 W HA -0.255 4.405 4.660 0.001 0.000 0.324 556 W C 2.263 178.794 176.519 0.021 0.000 1.222 556 W CA 1.910 59.272 57.345 0.029 0.000 1.270 556 W CB -0.674 28.812 29.460 0.044 0.000 1.167 556 W HN -0.181 nan 8.180 nan 0.000 0.467 557 V N 1.579 121.562 119.914 0.116 0.000 2.277 557 V HA -0.442 3.678 4.120 0.001 0.000 0.253 557 V C 2.354 178.292 176.094 -0.259 0.000 1.067 557 V CA 2.661 64.875 62.300 -0.144 0.000 1.047 557 V CB -1.185 30.638 31.823 0.001 0.000 0.649 557 V HN 0.242 nan 8.190 nan 0.000 0.447 558 K N 0.030 120.343 120.400 -0.145 0.000 2.001 558 K HA -0.258 4.062 4.320 0.001 0.000 0.214 558 K C 2.319 178.803 176.600 -0.193 0.000 1.050 558 K CA 1.936 58.138 56.287 -0.141 0.000 0.934 558 K CB -0.375 32.082 32.500 -0.072 0.000 0.718 558 K HN 0.352 nan 8.250 nan 0.000 0.443 559 K N 1.060 121.333 120.400 -0.212 0.000 2.218 559 K HA -0.160 4.160 4.320 0.001 0.000 0.205 559 K C 0.041 176.464 176.600 -0.295 0.000 1.046 559 K CA 1.088 57.243 56.287 -0.221 0.000 0.933 559 K CB 0.108 32.488 32.500 -0.199 0.000 0.728 559 K HN 0.118 nan 8.250 nan 0.000 0.454 560 Q N 1.576 121.107 119.800 -0.449 0.000 2.271 560 Q HA -0.047 4.293 4.340 0.001 0.000 0.273 560 Q C 0.166 176.003 176.000 -0.273 0.000 1.051 560 Q CA 0.486 56.020 55.803 -0.448 0.000 0.901 560 Q CB 1.490 29.827 28.738 -0.669 0.000 1.174 560 Q HN 0.266 nan 8.270 nan 0.000 0.385 561 D N 1.932 122.212 120.400 -0.199 0.000 2.149 561 D HA -0.105 4.535 4.640 0.001 0.000 0.206 561 D C -0.536 175.681 176.300 -0.138 0.000 0.967 561 D CA 0.553 54.465 54.000 -0.147 0.000 0.848 561 D CB 0.383 41.118 40.800 -0.108 0.000 0.998 561 D HN 0.455 nan 8.370 nan 0.000 0.474 562 D N -0.154 120.177 120.400 -0.115 0.000 2.478 562 D HA 0.022 4.662 4.640 0.001 0.000 0.234 562 D C -0.360 175.873 176.300 -0.111 0.000 1.154 562 D CA 0.047 53.998 54.000 -0.081 0.000 0.874 562 D CB 1.044 41.827 40.800 -0.029 0.000 1.198 562 D HN -0.127 nan 8.370 nan 0.000 0.455 563 V N 3.266 123.124 119.914 -0.094 0.000 2.508 563 V HA 0.099 4.219 4.120 0.001 0.000 0.281 563 V C 0.526 176.571 176.094 -0.081 0.000 1.041 563 V CA -0.383 61.846 62.300 -0.118 0.000 1.016 563 V CB 0.086 31.837 31.823 -0.119 0.000 0.984 563 V HN 0.278 nan 8.190 nan 0.000 0.478 564 L N 6.027 127.182 121.223 -0.113 0.000 2.375 564 L HA 0.598 4.938 4.340 0.001 0.000 0.271 564 L C -0.201 176.627 176.870 -0.070 0.000 1.107 564 L CA -0.591 54.226 54.840 -0.040 0.000 0.806 564 L CB 1.231 43.282 42.059 -0.012 0.000 1.146 564 L HN 0.592 nan 8.230 nan 0.000 0.447 565 L N -0.102 121.134 121.223 0.021 0.000 2.333 565 L HA 0.761 5.101 4.340 0.001 0.000 0.269 565 L C -0.268 176.609 176.870 0.012 0.000 1.010 565 L CA -0.190 54.647 54.840 -0.006 0.000 0.818 565 L CB 1.888 43.973 42.059 0.043 0.000 1.306 565 L HN 0.330 nan 8.230 nan 0.000 0.430 566 T N 1.196 115.748 114.554 -0.004 0.000 2.779 566 T HA 0.360 4.711 4.350 0.001 0.000 0.280 566 T C -0.938 173.696 174.700 -0.111 0.000 0.987 566 T CA -0.087 62.020 62.100 0.011 0.000 0.966 566 T CB 0.976 69.972 68.868 0.215 0.000 0.933 566 T HN 0.849 nan 8.240 nan 0.000 0.442 567 D N 1.376 121.583 120.400 -0.322 0.000 2.256 567 D HA 0.363 5.003 4.640 0.001 0.000 0.250 567 D C 1.080 177.287 176.300 -0.155 0.000 1.093 567 D CA -0.355 53.432 54.000 -0.355 0.000 0.882 567 D CB 0.954 41.263 40.800 -0.820 0.000 1.185 567 D HN 0.549 nan 8.370 nan 0.000 0.437 568 T N -1.214 113.304 114.554 -0.060 0.000 3.043 568 T HA 0.072 4.423 4.350 0.001 0.000 0.272 568 T C 1.486 176.190 174.700 0.005 0.000 0.990 568 T CA -0.228 61.866 62.100 -0.009 0.000 0.897 568 T CB 0.066 68.939 68.868 0.009 0.000 1.111 568 T HN 0.306 nan 8.240 nan 0.000 0.529 569 T N 2.201 116.759 114.554 0.007 0.000 2.699 569 T HA -0.067 4.283 4.350 0.001 0.000 0.268 569 T C 1.037 175.654 174.700 -0.140 0.000 1.036 569 T CA 1.518 63.523 62.100 -0.158 0.000 1.147 569 T CB -0.564 68.137 68.868 -0.278 0.000 0.862 569 T HN 0.430 nan 8.240 nan 0.000 0.446 570 F N 0.498 120.379 119.950 -0.116 0.000 2.502 570 F HA 0.183 4.711 4.527 0.001 0.000 0.298 570 F C 2.399 178.298 175.800 0.165 0.000 1.111 570 F CA 0.338 58.355 58.000 0.029 0.000 1.445 570 F CB -0.204 38.808 39.000 0.020 0.000 1.081 570 F HN -0.036 nan 8.300 nan 0.000 0.558 571 R N -0.142 120.461 120.500 0.172 0.000 3.069 571 R HA 0.061 4.402 4.340 0.001 0.000 0.141 571 R C 1.685 177.800 176.300 -0.307 0.000 1.845 571 R CA 0.664 56.742 56.100 -0.037 0.000 1.419 571 R CB -0.969 29.345 30.300 0.023 0.000 1.346 571 R HN -0.002 nan 8.270 nan 0.000 0.467 572 D N 1.131 121.453 120.400 -0.131 0.000 2.144 572 D HA -0.006 4.634 4.640 0.001 0.000 0.200 572 D C 1.569 177.794 176.300 -0.124 0.000 0.978 572 D CA 1.463 55.407 54.000 -0.093 0.000 0.833 572 D CB 0.031 40.877 40.800 0.076 0.000 0.961 572 D HN 0.367 nan 8.370 nan 0.000 0.470 573 A N 0.649 123.399 122.820 -0.117 0.000 1.917 573 A HA -0.227 4.093 4.320 0.001 0.000 0.219 573 A C 2.089 179.607 177.584 -0.111 0.000 1.182 573 A CA 2.081 54.057 52.037 -0.100 0.000 0.633 573 A CB -1.084 17.838 19.000 -0.130 0.000 0.819 573 A HN 0.637 nan 8.150 nan 0.000 0.448 574 H N -1.588 117.383 119.070 -0.166 0.000 2.525 574 H HA 0.049 4.605 4.556 0.001 0.000 0.275 574 H C 1.907 177.160 175.328 -0.126 0.000 0.984 574 H CA 1.031 56.969 56.048 -0.184 0.000 1.264 574 H CB -0.538 29.058 29.762 -0.277 0.000 1.432 574 H HN 0.652 nan 8.280 nan 0.000 0.549 575 Q N 1.681 121.216 119.800 -0.442 0.000 2.170 575 Q HA -0.108 4.233 4.340 0.001 0.000 0.203 575 Q C 1.654 177.579 176.000 -0.125 0.000 0.976 575 Q CA 1.890 57.543 55.803 -0.250 0.000 0.858 575 Q CB 0.237 28.828 28.738 -0.244 0.000 0.907 575 Q HN 0.394 nan 8.270 nan 0.000 0.433 576 S N 0.060 115.697 115.700 -0.103 0.000 2.371 576 S HA 0.022 4.492 4.470 0.001 0.000 0.221 576 S C 1.786 176.348 174.600 -0.063 0.000 1.036 576 S CA 0.791 58.943 58.200 -0.081 0.000 0.965 576 S CB -0.031 63.139 63.200 -0.049 0.000 0.845 576 S HN 0.348 nan 8.310 nan 0.000 0.475 577 L N 0.362 121.558 121.223 -0.045 0.000 2.202 577 L HA 0.252 4.592 4.340 0.001 0.000 0.205 577 L C 0.971 177.843 176.870 0.003 0.000 1.083 577 L CA 0.862 55.688 54.840 -0.024 0.000 0.790 577 L CB -0.108 41.939 42.059 -0.020 0.000 0.942 577 L HN 0.204 nan 8.230 nan 0.000 0.452 578 L N -0.242 120.985 121.223 0.005 0.000 3.202 578 L HA 0.402 4.742 4.340 0.001 0.000 0.278 578 L C 0.817 177.694 176.870 0.011 0.000 1.268 578 L CA -0.228 54.637 54.840 0.041 0.000 1.034 578 L CB 0.425 42.462 42.059 -0.037 0.000 1.407 578 L HN 0.185 nan 8.230 nan 0.000 0.581 579 A N -0.263 122.550 122.820 -0.012 0.000 2.832 579 A HA -0.283 4.037 4.320 0.001 0.000 0.280 579 A C 1.119 178.650 177.584 -0.088 0.000 1.464 579 A CA 0.990 52.994 52.037 -0.056 0.000 0.804 579 A CB -2.161 16.811 19.000 -0.045 0.000 1.020 579 A HN 0.661 nan 8.150 nan 0.000 0.563 580 T N -2.559 111.986 114.554 -0.015 0.000 5.334 580 T HA -0.249 4.102 4.350 0.001 0.000 0.288 580 T C 0.767 175.541 174.700 0.123 0.000 1.733 580 T CA 1.535 63.699 62.100 0.107 0.000 2.925 580 T CB -1.075 67.795 68.868 0.004 0.000 1.649 580 T HN 0.893 nan 8.240 nan 0.000 1.007 581 R N 0.323 120.773 120.500 -0.082 0.000 2.313 581 R HA 0.233 4.573 4.340 0.001 0.000 0.199 581 R C 0.872 177.111 176.300 -0.102 0.000 0.958 581 R CA 0.031 56.037 56.100 -0.156 0.000 1.047 581 R CB -0.241 29.761 30.300 -0.496 0.000 0.955 581 R HN 0.482 nan 8.270 nan 0.000 0.481 582 V N 3.498 123.135 119.914 -0.461 0.000 2.493 582 V HA -0.031 4.089 4.120 0.001 0.000 0.292 582 V C 0.989 176.994 176.094 -0.148 0.000 1.016 582 V CA 0.322 62.278 62.300 -0.574 0.000 1.097 582 V CB 0.082 31.292 31.823 -1.021 0.000 0.947 582 V HN 0.131 nan 8.190 nan 0.000 0.479 583 R N 3.182 123.753 120.500 0.118 0.000 2.560 583 R HA 0.272 4.612 4.340 0.001 0.000 0.270 583 R C 1.454 177.781 176.300 0.046 0.000 1.074 583 R CA -0.320 55.797 56.100 0.028 0.000 1.140 583 R CB 0.337 30.591 30.300 -0.076 0.000 1.073 583 R HN 0.725 nan 8.270 nan 0.000 0.527 584 T N 1.345 115.911 114.554 0.020 0.000 2.653 584 T HA -0.246 4.104 4.350 0.001 0.000 0.268 584 T C 1.692 176.441 174.700 0.083 0.000 1.035 584 T CA 1.840 63.983 62.100 0.072 0.000 1.154 584 T CB -0.165 68.734 68.868 0.052 0.000 0.862 584 T HN 0.478 nan 8.240 nan 0.000 0.441 585 K N 1.623 122.044 120.400 0.035 0.000 2.059 585 K HA -0.182 4.138 4.320 0.001 0.000 0.212 585 K C 1.810 178.462 176.600 0.087 0.000 1.050 585 K CA 1.882 58.195 56.287 0.043 0.000 0.927 585 K CB -0.581 31.916 32.500 -0.005 0.000 0.714 585 K HN 0.337 nan 8.250 nan 0.000 0.447 586 D N -0.436 120.036 120.400 0.121 0.000 2.269 586 D HA -0.106 4.535 4.640 0.001 0.000 0.208 586 D C 1.836 178.180 176.300 0.073 0.000 0.963 586 D CA 1.203 55.276 54.000 0.121 0.000 0.864 586 D CB -0.001 40.899 40.800 0.167 0.000 0.936 586 D HN 0.409 nan 8.370 nan 0.000 0.505 587 M N -0.149 119.541 119.600 0.149 0.000 2.248 587 M HA -0.011 4.469 4.480 0.001 0.000 0.265 587 M C 2.220 178.677 176.300 0.262 0.000 1.079 587 M CA 0.504 55.925 55.300 0.201 0.000 1.150 587 M CB 0.241 33.023 32.600 0.303 0.000 1.366 587 M HN -0.093 nan 8.290 nan 0.000 0.433 588 I N 1.363 122.050 120.570 0.195 0.000 2.315 588 I HA -0.242 3.928 4.170 0.001 0.000 0.248 588 I C 1.645 177.817 176.117 0.092 0.000 1.117 588 I CA 1.601 62.997 61.300 0.159 0.000 1.404 588 I CB -0.857 37.214 38.000 0.119 0.000 1.071 588 I HN 0.431 nan 8.210 nan 0.000 0.419 589 N N 0.290 119.022 118.700 0.053 0.000 2.094 589 N HA -0.233 4.507 4.740 0.001 0.000 0.191 589 N C 1.528 176.965 175.510 -0.122 0.000 1.023 589 N CA 1.159 54.206 53.050 -0.006 0.000 0.857 589 N CB 0.026 38.536 38.487 0.039 0.000 1.013 589 N HN 0.181 nan 8.380 nan 0.000 0.426 590 I N 0.184 120.623 120.570 -0.218 0.000 3.883 590 I HA 0.177 4.347 4.170 0.001 0.000 0.326 590 I C 1.636 177.744 176.117 -0.016 0.000 1.283 590 I CA -0.076 60.992 61.300 -0.388 0.000 1.161 590 I CB -0.079 37.358 38.000 -0.937 0.000 1.012 590 I HN 0.001 nan 8.210 nan 0.000 0.421 591 A N 0.061 122.953 122.820 0.120 0.000 1.883 591 A HA -0.246 4.075 4.320 0.001 0.000 0.217 591 A C 2.534 180.199 177.584 0.135 0.000 1.186 591 A CA 2.150 54.315 52.037 0.213 0.000 0.624 591 A CB -1.180 17.944 19.000 0.206 0.000 0.822 591 A HN 0.552 nan 8.150 nan 0.000 0.444 592 S N -0.117 115.630 115.700 0.078 0.000 2.383 592 S HA -0.242 4.228 4.470 0.001 0.000 0.229 592 S C 1.975 176.620 174.600 0.075 0.000 1.030 592 S CA 1.960 60.203 58.200 0.071 0.000 1.002 592 S CB -0.299 62.923 63.200 0.038 0.000 0.829 592 S HN 0.467 nan 8.310 nan 0.000 0.467 593 K N 1.228 121.647 120.400 0.032 0.000 2.057 593 K HA 0.021 4.342 4.320 0.001 0.000 0.206 593 K C 2.129 178.752 176.600 0.039 0.000 1.050 593 K CA 2.065 58.359 56.287 0.012 0.000 0.935 593 K CB -1.244 31.220 32.500 -0.061 0.000 0.715 593 K HN 0.470 nan 8.250 nan 0.000 0.439 594 T N 0.607 115.230 114.554 0.115 0.000 2.720 594 T HA -0.166 4.184 4.350 0.001 0.000 0.268 594 T C 1.846 176.645 174.700 0.164 0.000 1.037 594 T CA 1.530 63.758 62.100 0.213 0.000 1.144 594 T CB -0.630 68.480 68.868 0.402 0.000 0.864 594 T HN 0.381 nan 8.240 nan 0.000 0.444 595 A N 1.742 124.649 122.820 0.144 0.000 1.948 595 A HA -0.226 4.094 4.320 0.001 0.000 0.220 595 A C 2.233 179.845 177.584 0.047 0.000 1.177 595 A CA 2.073 54.191 52.037 0.136 0.000 0.636 595 A CB -0.706 18.407 19.000 0.188 0.000 0.815 595 A HN 0.532 nan 8.150 nan 0.000 0.449 596 D N -0.320 120.110 120.400 0.049 0.000 2.091 596 D HA -0.092 4.548 4.640 0.001 0.000 0.199 596 D C 2.008 178.199 176.300 -0.182 0.000 0.980 596 D CA 1.687 55.643 54.000 -0.073 0.000 0.831 596 D CB -0.227 40.622 40.800 0.082 0.000 0.987 596 D HN 0.175 nan 8.370 nan 0.000 0.460 597 V N 0.162 119.968 119.914 -0.180 0.000 2.392 597 V HA -0.194 3.926 4.120 0.001 0.000 0.249 597 V C 1.690 177.507 176.094 -0.461 0.000 1.059 597 V CA 1.292 63.377 62.300 -0.359 0.000 1.051 597 V CB -0.594 30.934 31.823 -0.491 0.000 0.658 597 V HN 0.171 nan 8.190 nan 0.000 0.455 598 F N 0.240 120.167 119.950 -0.038 0.000 2.750 598 F HA 0.189 4.716 4.527 0.001 0.000 0.297 598 F C 1.866 177.617 175.800 -0.082 0.000 1.138 598 F CA -0.419 57.558 58.000 -0.038 0.000 1.346 598 F CB -0.172 38.820 39.000 -0.014 0.000 0.965 598 F HN 0.129 nan 8.300 nan 0.000 0.514 599 K N -0.482 119.882 120.400 -0.060 0.000 2.127 599 K HA -0.201 4.119 4.320 0.001 0.000 0.208 599 K C 0.432 176.990 176.600 -0.070 0.000 1.047 599 K CA 2.040 58.214 56.287 -0.189 0.000 0.927 599 K CB -0.183 31.997 32.500 -0.534 0.000 0.716 599 K HN 0.152 nan 8.250 nan 0.000 0.450 600 D N 1.118 121.521 120.400 0.005 0.000 2.388 600 D HA 0.110 4.751 4.640 0.001 0.000 0.221 600 D C 0.449 176.846 176.300 0.161 0.000 1.133 600 D CA 0.160 54.209 54.000 0.082 0.000 0.831 600 D CB 0.513 41.362 40.800 0.081 0.000 0.962 600 D HN 0.402 nan 8.370 nan 0.000 0.502 601 G N 0.079 108.984 108.800 0.174 0.000 2.572 601 G HA2 0.138 4.099 3.960 0.001 0.000 0.261 601 G HA3 0.138 4.099 3.960 0.001 0.000 0.261 601 G C 0.363 175.357 174.900 0.157 0.000 1.197 601 G CA -0.528 44.681 45.100 0.181 0.000 0.870 601 G HN 0.033 nan 8.290 nan 0.000 0.548 602 F N 0.817 120.780 119.950 0.022 0.000 2.118 602 F HA 0.200 4.727 4.527 0.001 0.000 0.293 602 F C 1.400 177.198 175.800 -0.004 0.000 1.102 602 F CA 1.250 59.267 58.000 0.028 0.000 1.247 602 F CB 0.106 39.092 39.000 -0.023 0.000 1.017 602 F HN 0.604 nan 8.300 nan 0.000 0.475 603 S N -0.588 115.046 115.700 -0.110 0.000 2.625 603 S HA 0.579 5.049 4.470 0.001 0.000 0.271 603 S C -1.396 173.102 174.600 -0.169 0.000 1.161 603 S CA -1.002 57.072 58.200 -0.210 0.000 0.820 603 S CB 1.466 64.549 63.200 -0.195 0.000 1.137 603 S HN 0.113 nan 8.310 nan 0.000 0.470 604 L N 1.555 122.625 121.223 -0.255 0.000 2.298 604 L HA 0.530 4.871 4.340 0.001 0.000 0.284 604 L C 0.206 176.880 176.870 -0.327 0.000 1.013 604 L CA -0.465 54.142 54.840 -0.388 0.000 0.824 604 L CB 1.495 43.160 42.059 -0.656 0.000 1.221 604 L HN 0.810 nan 8.230 nan 0.000 0.418 605 E N 4.614 124.710 120.200 -0.174 0.000 2.217 605 E HA 0.158 4.508 4.350 0.001 0.000 0.279 605 E C 0.027 176.572 176.600 -0.092 0.000 1.068 605 E CA -0.237 56.109 56.400 -0.090 0.000 0.882 605 E CB 0.717 30.410 29.700 -0.012 0.000 1.039 605 E HN 0.626 nan 8.360 nan 0.000 0.418 606 M N 2.837 122.392 119.600 -0.076 0.000 2.346 606 M HA 0.402 4.882 4.480 0.001 0.000 0.417 606 M C -1.186 175.265 176.300 0.252 0.000 1.015 606 M CA -0.487 54.818 55.300 0.009 0.000 0.968 606 M CB 0.186 32.605 32.600 -0.303 0.000 1.859 606 M HN 0.301 nan 8.290 nan 0.000 0.623 607 W N 0.060 121.340 121.300 -0.032 0.000 2.961 607 W HA 0.705 5.366 4.660 0.001 0.000 0.368 607 W C 0.479 177.029 176.519 0.052 0.000 1.213 607 W CA 0.007 57.365 57.345 0.021 0.000 1.173 607 W CB 0.841 30.309 29.460 0.013 0.000 1.487 607 W HN 0.686 nan 8.180 nan 0.000 0.585 608 G N 0.951 109.714 108.800 -0.061 0.000 2.693 608 G HA2 0.386 4.346 3.960 0.001 0.000 0.226 608 G HA3 0.386 4.346 3.960 0.001 0.000 0.226 608 G C 0.591 175.468 174.900 -0.038 0.000 1.354 608 G CA 0.971 46.056 45.100 -0.024 0.000 0.873 608 G HN 2.267 nan 8.290 nan 0.000 0.562 609 G N -1.378 107.440 108.800 0.028 0.000 2.556 609 G HA2 0.218 4.178 3.960 0.001 0.000 0.283 609 G HA3 0.218 4.178 3.960 0.001 0.000 0.283 609 G C 1.351 176.269 174.900 0.029 0.000 1.177 609 G CA 2.436 47.551 45.100 0.026 0.000 0.978 609 G HN 2.607 nan 8.290 nan 0.000 0.554 610 A N -0.443 122.385 122.820 0.012 0.000 2.387 610 A HA 0.528 4.849 4.320 0.001 0.000 0.234 610 A C 2.246 179.837 177.584 0.011 0.000 1.253 610 A CA 1.749 53.811 52.037 0.041 0.000 0.894 610 A CB -0.445 18.587 19.000 0.055 0.000 0.963 610 A HN 2.025 nan 8.150 nan 0.000 0.508 611 T N -3.091 111.442 114.554 -0.036 0.000 2.821 611 T HA -0.150 4.200 4.350 0.001 0.000 0.267 611 T C 1.649 176.266 174.700 -0.138 0.000 1.046 611 T CA 1.467 63.535 62.100 -0.054 0.000 1.139 611 T CB -0.540 68.296 68.868 -0.053 0.000 0.871 611 T HN 0.275 nan 8.240 nan 0.000 0.454 612 F N 2.900 122.629 119.950 -0.369 0.000 2.084 612 F HA -0.010 4.518 4.527 0.001 0.000 0.296 612 F C 2.120 177.732 175.800 -0.312 0.000 1.111 612 F CA 1.841 59.575 58.000 -0.442 0.000 1.224 612 F CB -0.486 38.221 39.000 -0.488 0.000 0.991 612 F HN 0.217 nan 8.300 nan 0.000 0.471 613 D N -0.161 120.147 120.400 -0.154 0.000 2.077 613 D HA -0.174 4.467 4.640 0.001 0.000 0.193 613 D C 2.173 178.368 176.300 -0.174 0.000 0.989 613 D CA 2.113 55.884 54.000 -0.382 0.000 0.831 613 D CB -0.603 40.066 40.800 -0.218 0.000 0.979 613 D HN 0.145 nan 8.370 nan 0.000 0.449 614 V N 1.085 120.990 119.914 -0.014 0.000 2.282 614 V HA -0.260 3.860 4.120 0.001 0.000 0.249 614 V C 2.703 178.849 176.094 0.086 0.000 1.057 614 V CA 2.041 64.431 62.300 0.150 0.000 1.032 614 V CB -1.222 30.726 31.823 0.208 0.000 0.645 614 V HN 0.421 nan 8.190 nan 0.000 0.447 615 A N -1.133 121.659 122.820 -0.047 0.000 1.873 615 A HA -0.300 4.021 4.320 0.001 0.000 0.218 615 A C 2.112 179.620 177.584 -0.127 0.000 1.193 615 A CA 2.391 54.357 52.037 -0.119 0.000 0.629 615 A CB -0.986 17.850 19.000 -0.273 0.000 0.826 615 A HN 0.608 nan 8.150 nan 0.000 0.447 616 Y N -0.356 119.797 120.300 -0.245 0.000 2.242 616 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 616 Y C 2.652 178.509 175.900 -0.072 0.000 1.137 616 Y CA 1.563 59.520 58.100 -0.238 0.000 1.181 616 Y CB -0.094 38.136 38.460 -0.384 0.000 0.989 616 Y HN 0.539 nan 8.280 nan 0.000 0.527 617 N N -0.561 118.155 118.700 0.027 0.000 2.202 617 N HA -0.132 4.608 4.740 0.001 0.000 0.191 617 N C 1.594 177.054 175.510 -0.083 0.000 1.054 617 N CA 0.915 53.890 53.050 -0.125 0.000 0.877 617 N CB -0.322 37.938 38.487 -0.378 0.000 1.057 617 N HN 0.128 nan 8.380 nan 0.000 0.456 618 F N 1.207 121.239 119.950 0.136 0.000 2.128 618 F HA 0.062 4.589 4.527 0.000 0.000 0.295 618 F C 2.211 178.198 175.800 0.311 0.000 1.100 618 F CA 0.618 58.738 58.000 0.199 0.000 1.260 618 F CB -0.099 39.001 39.000 0.166 0.000 1.009 618 F HN 0.065 nan 8.300 nan 0.000 0.476 619 L N -0.484 120.993 121.223 0.424 0.000 2.418 619 L HA -0.001 4.339 4.340 0.001 0.000 0.218 619 L C 0.592 177.658 176.870 0.327 0.000 1.125 619 L CA 0.304 55.356 54.840 0.354 0.000 0.835 619 L CB -0.354 41.773 42.059 0.114 0.000 0.953 619 L HN 0.025 nan 8.230 nan 0.000 0.454 620 K N 1.421 122.011 120.400 0.316 0.000 3.096 620 K HA -0.186 4.135 4.320 0.001 0.000 0.266 620 K C -0.185 176.668 176.600 0.421 0.000 1.043 620 K CA 0.915 57.444 56.287 0.404 0.000 0.758 620 K CB -1.852 30.875 32.500 0.378 0.000 1.260 620 K HN 0.717 nan 8.250 nan 0.000 0.481 621 E N -0.725 119.605 120.200 0.216 0.000 2.288 621 E HA 0.328 4.678 4.350 0.001 0.000 0.268 621 E C -0.650 175.806 176.600 -0.241 0.000 0.885 621 E CA -1.005 55.471 56.400 0.127 0.000 0.767 621 E CB 1.430 31.124 29.700 -0.010 0.000 1.220 621 E HN 0.196 nan 8.360 nan 0.000 0.427 622 N N 2.910 121.479 118.700 -0.219 0.000 2.431 622 N HA 0.044 4.785 4.740 0.001 0.000 0.265 622 N C -1.477 173.845 175.510 -0.314 0.000 1.184 622 N CA -1.678 51.089 53.050 -0.472 0.000 0.943 622 N CB 0.783 39.263 38.487 -0.012 0.000 1.080 622 N HN 0.375 nan 8.380 nan 0.000 0.477 623 P HA -0.087 nan 4.420 nan 0.000 0.230 623 P C 0.445 177.905 177.300 0.266 0.000 1.158 623 P CA 0.828 63.852 63.100 -0.126 0.000 0.769 623 P CB 0.035 31.458 31.700 -0.461 0.000 0.807 624 W N 1.147 122.603 121.300 0.261 0.000 2.409 624 W HA 0.001 4.661 4.660 0.000 0.000 0.299 624 W C 2.488 179.046 176.519 0.064 0.000 1.203 624 W CA 0.674 58.160 57.345 0.233 0.000 1.298 624 W CB -0.733 28.878 29.460 0.252 0.000 1.127 624 W HN 0.017 nan 8.180 nan 0.000 0.528 625 E N 0.159 120.523 120.200 0.273 0.000 2.106 625 E HA -0.215 4.136 4.350 0.001 0.000 0.192 625 E C 2.181 178.849 176.600 0.114 0.000 0.984 625 E CA 0.978 57.476 56.400 0.163 0.000 0.806 625 E CB -0.213 29.570 29.700 0.138 0.000 0.750 625 E HN 0.166 nan 8.360 nan 0.000 0.458 626 R N 0.675 121.244 120.500 0.115 0.000 2.091 626 R HA -0.183 4.157 4.340 0.001 0.000 0.238 626 R C 2.345 178.692 176.300 0.079 0.000 1.136 626 R CA 1.135 57.309 56.100 0.123 0.000 0.959 626 R CB -0.230 30.175 30.300 0.176 0.000 0.856 626 R HN 0.164 nan 8.270 nan 0.000 0.437 627 L N 1.436 122.627 121.223 -0.054 0.000 2.056 627 L HA -0.108 4.232 4.340 0.001 0.000 0.207 627 L C 1.644 178.471 176.870 -0.072 0.000 1.078 627 L CA 1.861 56.550 54.840 -0.252 0.000 0.749 627 L CB -0.395 41.162 42.059 -0.836 0.000 0.901 627 L HN 0.209 nan 8.230 nan 0.000 0.433 628 E N -0.873 119.319 120.200 -0.014 0.000 2.046 628 E HA -0.136 4.214 4.350 0.001 0.000 0.190 628 E C 2.252 178.861 176.600 0.014 0.000 0.982 628 E CA 0.791 57.188 56.400 -0.006 0.000 0.800 628 E CB -0.172 29.547 29.700 0.031 0.000 0.756 628 E HN 0.408 nan 8.360 nan 0.000 0.449 629 R N 0.587 121.118 120.500 0.051 0.000 2.127 629 R HA -0.111 4.229 4.340 0.001 0.000 0.238 629 R C 2.365 178.720 176.300 0.091 0.000 1.134 629 R CA 0.906 57.045 56.100 0.064 0.000 0.975 629 R CB -0.300 30.046 30.300 0.075 0.000 0.865 629 R HN 0.244 nan 8.270 nan 0.000 0.447 630 L N -0.094 121.211 121.223 0.138 0.000 2.240 630 L HA -0.067 4.273 4.340 0.001 0.000 0.211 630 L C 2.603 179.610 176.870 0.229 0.000 1.106 630 L CA 0.548 55.528 54.840 0.233 0.000 0.793 630 L CB -0.263 41.977 42.059 0.303 0.000 0.927 630 L HN 0.029 nan 8.230 nan 0.000 0.446 631 R N 0.931 121.446 120.500 0.025 0.000 2.066 631 R HA -0.138 4.202 4.340 0.001 0.000 0.232 631 R C 2.133 178.333 176.300 -0.167 0.000 1.131 631 R CA 1.414 57.340 56.100 -0.289 0.000 0.955 631 R CB -0.376 29.726 30.300 -0.330 0.000 0.851 631 R HN 0.216 nan 8.270 nan 0.000 0.432 632 K N -0.383 119.974 120.400 -0.073 0.000 2.063 632 K HA -0.092 4.229 4.320 0.001 0.000 0.208 632 K C 1.733 178.324 176.600 -0.015 0.000 1.048 632 K CA 1.623 57.883 56.287 -0.046 0.000 0.928 632 K CB -0.101 32.387 32.500 -0.019 0.000 0.713 632 K HN 0.174 nan 8.250 nan 0.000 0.442 633 A N 0.557 123.394 122.820 0.028 0.000 2.016 633 A HA 0.068 4.389 4.320 0.001 0.000 0.217 633 A C 1.074 178.706 177.584 0.079 0.000 1.162 633 A CA 0.715 52.786 52.037 0.058 0.000 0.662 633 A CB 0.048 19.101 19.000 0.088 0.000 0.812 633 A HN 0.290 nan 8.150 nan 0.000 0.450 634 I N 0.281 120.906 120.570 0.092 0.000 2.668 634 I HA 0.221 4.392 4.170 0.001 0.000 0.276 634 I C -2.230 173.888 176.117 0.001 0.000 1.139 634 I CA -1.418 59.959 61.300 0.128 0.000 1.133 634 I CB 2.069 40.236 38.000 0.280 0.000 1.327 634 I HN 0.033 nan 8.210 nan 0.000 0.520 635 P HA 0.080 nan 4.420 nan 0.000 0.261 635 P C 0.534 177.796 177.300 -0.063 0.000 1.268 635 P CA 0.524 63.565 63.100 -0.099 0.000 0.833 635 P CB 0.142 31.799 31.700 -0.071 0.000 1.231 636 N N -0.375 118.333 118.700 0.013 0.000 2.415 636 N HA 0.027 4.767 4.740 0.001 0.000 0.174 636 N C 0.307 175.805 175.510 -0.019 0.000 1.048 636 N CA 0.395 53.462 53.050 0.029 0.000 0.895 636 N CB -0.353 38.213 38.487 0.132 0.000 1.036 636 N HN -0.059 nan 8.380 nan 0.000 0.449 637 V N 1.767 121.688 119.914 0.011 0.000 2.667 637 V HA 0.358 4.479 4.120 0.001 0.000 0.308 637 V C 0.529 176.634 176.094 0.019 0.000 1.048 637 V CA -1.036 61.263 62.300 -0.002 0.000 0.928 637 V CB 2.291 34.137 31.823 0.038 0.000 1.004 637 V HN 0.071 nan 8.190 nan 0.000 0.444 638 L N 2.895 124.058 121.223 -0.100 0.000 2.483 638 L HA 0.208 4.548 4.340 0.001 0.000 0.276 638 L C -0.724 176.222 176.870 0.127 0.000 1.213 638 L CA 0.403 55.178 54.840 -0.109 0.000 0.843 638 L CB 0.058 41.895 42.059 -0.371 0.000 1.107 638 L HN 0.434 nan 8.230 nan 0.000 0.487 639 F N 1.591 121.397 119.950 -0.240 0.000 2.444 639 F HA 0.417 4.944 4.527 0.001 0.000 0.342 639 F C 0.252 175.924 175.800 -0.213 0.000 1.121 639 F CA -0.627 57.244 58.000 -0.215 0.000 0.997 639 F CB 1.563 40.433 39.000 -0.217 0.000 1.130 639 F HN 0.386 nan 8.300 nan 0.000 0.454 640 Q N 5.150 124.910 119.800 -0.066 0.000 2.337 640 Q HA 0.721 5.061 4.340 0.001 0.000 0.266 640 Q C -1.078 174.910 176.000 -0.020 0.000 1.023 640 Q CA -0.888 54.880 55.803 -0.058 0.000 0.829 640 Q CB 2.430 31.181 28.738 0.020 0.000 1.306 640 Q HN 0.834 nan 8.270 nan 0.000 0.449 641 M N 1.712 121.304 119.600 -0.014 0.000 2.716 641 M HA 0.566 5.046 4.480 0.001 0.000 0.307 641 M C -1.705 174.673 176.300 0.130 0.000 1.223 641 M CA -1.107 54.260 55.300 0.111 0.000 0.871 641 M CB 1.509 34.255 32.600 0.243 0.000 1.739 641 M HN 0.540 nan 8.290 nan 0.000 0.475 642 L N 2.124 123.431 121.223 0.140 0.000 2.357 642 L HA 0.737 5.077 4.340 0.001 0.000 0.273 642 L C -1.650 175.402 176.870 0.304 0.000 1.080 642 L CA -0.420 54.521 54.840 0.168 0.000 0.803 642 L CB 1.626 43.717 42.059 0.053 0.000 1.174 642 L HN 0.815 nan 8.230 nan 0.000 0.443 643 L N 4.335 125.807 121.223 0.414 0.000 2.482 643 L HA 0.507 4.847 4.340 0.001 0.000 0.269 643 L C -0.593 176.368 176.870 0.152 0.000 0.967 643 L CA -0.299 54.739 54.840 0.330 0.000 0.851 643 L CB 1.417 43.685 42.059 0.348 0.000 1.242 643 L HN 0.566 nan 8.230 nan 0.000 0.404 644 R N 3.199 123.683 120.500 -0.027 0.000 2.449 644 R HA 0.324 4.664 4.340 0.001 0.000 0.296 644 R C 1.279 177.406 176.300 -0.288 0.000 1.047 644 R CA 0.561 56.391 56.100 -0.451 0.000 1.018 644 R CB 1.042 31.218 30.300 -0.207 0.000 0.962 644 R HN 0.880 nan 8.270 nan 0.000 0.428 645 A N 2.544 125.136 122.820 -0.380 0.000 1.908 645 A HA -0.238 4.082 4.320 0.001 0.000 0.218 645 A C 2.122 179.640 177.584 -0.111 0.000 1.181 645 A CA 2.148 54.078 52.037 -0.178 0.000 0.627 645 A CB -0.458 18.444 19.000 -0.163 0.000 0.818 645 A HN 0.825 nan 8.150 nan 0.000 0.445 646 S N 0.785 116.418 115.700 -0.111 0.000 2.377 646 S HA -0.112 4.359 4.470 0.001 0.000 0.223 646 S C 1.077 175.677 174.600 0.000 0.000 1.030 646 S CA 1.195 59.369 58.200 -0.043 0.000 0.970 646 S CB -0.407 62.780 63.200 -0.023 0.000 0.830 646 S HN 0.750 nan 8.310 nan 0.000 0.473 647 N N 0.499 119.200 118.700 0.002 0.000 2.305 647 N HA 0.564 5.304 4.740 0.001 0.000 0.248 647 N C 0.741 176.245 175.510 -0.009 0.000 1.290 647 N CA 0.337 53.458 53.050 0.117 0.000 0.873 647 N CB 0.389 38.956 38.487 0.132 0.000 1.261 647 N HN 0.510 nan 8.380 nan 0.000 0.504 648 A N -0.119 122.658 122.820 -0.073 0.000 1.271 648 A HA -0.324 3.996 4.320 0.001 0.000 0.306 648 A C 0.938 178.410 177.584 -0.187 0.000 1.266 648 A CA 2.432 54.389 52.037 -0.132 0.000 1.093 648 A CB -1.578 17.256 19.000 -0.276 0.000 1.471 648 A HN 0.875 nan 8.150 nan 0.000 0.723 649 V N -0.633 119.055 119.914 -0.377 0.000 3.537 649 V HA 0.539 4.659 4.120 0.001 0.000 0.315 649 V C 0.832 176.924 176.094 -0.004 0.000 1.541 649 V CA 1.151 63.278 62.300 -0.288 0.000 1.160 649 V CB 0.099 31.502 31.823 -0.699 0.000 0.998 649 V HN 1.632 nan 8.190 nan 0.000 0.473 650 G N -0.584 108.222 108.800 0.011 0.000 2.568 650 G HA2 0.377 4.337 3.960 0.001 0.000 0.293 650 G HA3 0.377 4.337 3.960 0.001 0.000 0.293 650 G C 0.098 175.091 174.900 0.154 0.000 1.347 650 G CA 0.244 45.393 45.100 0.082 0.000 1.039 650 G HN 0.474 nan 8.290 nan 0.000 0.523 651 Y N -1.573 118.630 120.300 -0.163 0.000 2.535 651 Y HA 0.417 4.967 4.550 0.001 0.000 0.264 651 Y C 1.297 177.102 175.900 -0.158 0.000 1.087 651 Y CA -0.014 58.031 58.100 -0.092 0.000 1.285 651 Y CB 0.168 38.589 38.460 -0.064 0.000 1.200 651 Y HN 0.451 nan 8.280 nan 0.000 0.514 652 K N 0.583 120.343 120.400 -1.066 0.000 2.415 652 K HA 0.411 4.731 4.320 0.001 0.000 0.275 652 K C -0.946 175.125 176.600 -0.882 0.000 1.019 652 K CA -1.028 54.656 56.287 -1.005 0.000 1.173 652 K CB 0.191 31.936 32.500 -1.258 0.000 1.602 652 K HN -0.103 nan 8.250 nan 0.000 0.717 653 N N -0.315 117.872 118.700 -0.855 0.000 2.314 653 N HA 0.386 5.127 4.740 0.001 0.000 0.304 653 N C -1.687 173.388 175.510 -0.725 0.000 1.073 653 N CA -0.451 52.220 53.050 -0.632 0.000 0.822 653 N CB 1.109 39.417 38.487 -0.298 0.000 1.280 653 N HN 0.436 nan 8.380 nan 0.000 0.489 654 Y N 0.412 120.642 120.300 -0.117 0.000 2.536 654 Y HA 0.497 5.047 4.550 0.001 0.000 0.347 654 Y C -1.882 173.995 175.900 -0.039 0.000 1.000 654 Y CA -1.923 56.124 58.100 -0.090 0.000 1.051 654 Y CB 1.684 40.089 38.460 -0.093 0.000 1.259 654 Y HN 0.382 nan 8.280 nan 0.000 0.468 655 P HA 0.082 nan 4.420 nan 0.000 0.274 655 P C -0.277 177.098 177.300 0.124 0.000 1.237 655 P CA -0.098 63.060 63.100 0.097 0.000 0.793 655 P CB 1.302 33.039 31.700 0.061 0.000 0.977 656 D N 0.965 121.432 120.400 0.111 0.000 2.133 656 D HA -0.221 4.419 4.640 0.001 0.000 0.192 656 D C 1.631 178.078 176.300 0.245 0.000 1.001 656 D CA 1.780 55.870 54.000 0.151 0.000 0.844 656 D CB -0.791 40.099 40.800 0.150 0.000 0.944 656 D HN 0.531 nan 8.370 nan 0.000 0.447 657 N N 0.952 119.788 118.700 0.227 0.000 2.205 657 N HA -0.146 4.594 4.740 0.001 0.000 0.186 657 N C 1.705 177.419 175.510 0.340 0.000 1.015 657 N CA 1.108 54.323 53.050 0.275 0.000 0.862 657 N CB -0.814 37.829 38.487 0.259 0.000 0.986 657 N HN 0.195 nan 8.380 nan 0.000 0.429 658 V N 1.039 121.122 119.914 0.282 0.000 2.427 658 V HA -0.096 4.025 4.120 0.001 0.000 0.248 658 V C 2.499 178.686 176.094 0.155 0.000 1.051 658 V CA 1.094 63.539 62.300 0.241 0.000 1.048 658 V CB -0.432 31.440 31.823 0.082 0.000 0.666 658 V HN 0.237 nan 8.190 nan 0.000 0.456 659 I N -0.822 119.825 120.570 0.128 0.000 2.233 659 I HA -0.208 3.962 4.170 0.001 0.000 0.243 659 I C 2.476 178.659 176.117 0.111 0.000 1.093 659 I CA 1.487 62.845 61.300 0.097 0.000 1.380 659 I CB -0.400 37.614 38.000 0.024 0.000 1.067 659 I HN 0.334 nan 8.210 nan 0.000 0.413 660 H N 0.671 119.783 119.070 0.070 0.000 2.265 660 H HA -0.283 4.274 4.556 0.001 0.000 0.293 660 H C 2.311 177.658 175.328 0.031 0.000 1.089 660 H CA 2.360 58.425 56.048 0.029 0.000 1.244 660 H CB -0.040 29.736 29.762 0.024 0.000 1.355 660 H HN 0.095 nan 8.280 nan 0.000 0.485 661 K N -0.348 120.166 120.400 0.190 0.000 2.057 661 K HA -0.180 4.140 4.320 0.001 0.000 0.207 661 K C 2.040 178.722 176.600 0.137 0.000 1.049 661 K CA 1.402 57.728 56.287 0.065 0.000 0.931 661 K CB -0.234 32.208 32.500 -0.095 0.000 0.714 661 K HN 0.199 nan 8.250 nan 0.000 0.440 662 F N 0.847 120.849 119.950 0.087 0.000 2.126 662 F HA -0.215 4.313 4.527 0.001 0.000 0.299 662 F C 1.738 177.671 175.800 0.222 0.000 1.096 662 F CA 1.284 59.387 58.000 0.172 0.000 1.255 662 F CB -0.411 38.634 39.000 0.074 0.000 0.997 662 F HN -0.198 nan 8.300 nan 0.000 0.479 663 V N 0.522 120.440 119.914 0.007 0.000 2.295 663 V HA -0.339 3.782 4.120 0.001 0.000 0.246 663 V C 2.418 178.469 176.094 -0.073 0.000 1.049 663 V CA 2.274 64.475 62.300 -0.165 0.000 1.024 663 V CB -0.833 30.806 31.823 -0.307 0.000 0.648 663 V HN 0.402 nan 8.190 nan 0.000 0.447 664 Q N -0.578 119.210 119.800 -0.021 0.000 2.062 664 Q HA -0.264 4.076 4.340 0.001 0.000 0.209 664 Q C 2.370 178.379 176.000 0.015 0.000 0.996 664 Q CA 1.990 57.792 55.803 -0.001 0.000 0.859 664 Q CB -0.198 28.535 28.738 -0.008 0.000 0.920 664 Q HN 0.590 nan 8.270 nan 0.000 0.415 665 E N -0.198 120.012 120.200 0.018 0.000 2.208 665 E HA -0.069 4.281 4.350 0.001 0.000 0.193 665 E C 2.068 178.776 176.600 0.181 0.000 0.988 665 E CA 0.697 57.104 56.400 0.011 0.000 0.828 665 E CB -0.011 29.617 29.700 -0.120 0.000 0.763 665 E HN 0.200 nan 8.360 nan 0.000 0.478 666 S N 1.030 116.859 115.700 0.215 0.000 2.383 666 S HA -0.068 4.402 4.470 0.001 0.000 0.227 666 S C 2.094 176.814 174.600 0.200 0.000 1.026 666 S CA 0.915 59.250 58.200 0.225 0.000 0.981 666 S CB -0.064 63.228 63.200 0.153 0.000 0.818 666 S HN 0.377 nan 8.310 nan 0.000 0.472 667 A N 1.893 124.861 122.820 0.247 0.000 1.930 667 A HA -0.087 4.233 4.320 0.001 0.000 0.217 667 A C 2.056 179.680 177.584 0.067 0.000 1.175 667 A CA 1.309 53.467 52.037 0.203 0.000 0.627 667 A CB -0.358 18.750 19.000 0.179 0.000 0.815 667 A HN 0.413 nan 8.150 nan 0.000 0.443 668 K N -0.404 120.021 120.400 0.042 0.000 2.057 668 K HA -0.010 4.311 4.320 0.001 0.000 0.206 668 K C 2.222 178.809 176.600 -0.022 0.000 1.050 668 K CA 1.094 57.379 56.287 -0.005 0.000 0.935 668 K CB -0.271 32.215 32.500 -0.024 0.000 0.715 668 K HN 0.420 nan 8.250 nan 0.000 0.439 669 A N 0.145 122.970 122.820 0.009 0.000 2.066 669 A HA 0.043 4.364 4.320 0.001 0.000 0.218 669 A C 1.517 179.032 177.584 -0.116 0.000 1.157 669 A CA 1.577 53.607 52.037 -0.012 0.000 0.670 669 A CB -0.084 18.989 19.000 0.121 0.000 0.804 669 A HN 0.475 nan 8.150 nan 0.000 0.453 670 G N -1.908 106.809 108.800 -0.138 0.000 2.507 670 G HA2 0.008 3.968 3.960 0.001 0.000 0.205 670 G HA3 0.008 3.968 3.960 0.001 0.000 0.205 670 G C -0.126 174.635 174.900 -0.232 0.000 0.996 670 G CA -0.168 44.786 45.100 -0.242 0.000 0.776 670 G HN 0.175 nan 8.290 nan 0.000 0.532 671 I N 1.880 122.351 120.570 -0.165 0.000 2.441 671 I HA 0.305 4.476 4.170 0.001 0.000 0.287 671 I C 0.198 176.149 176.117 -0.278 0.000 1.049 671 I CA 0.178 61.333 61.300 -0.241 0.000 1.381 671 I CB 1.036 38.801 38.000 -0.393 0.000 1.409 671 I HN 0.043 nan 8.210 nan 0.000 0.523 672 D N 4.097 124.335 120.400 -0.270 0.000 2.482 672 D HA 0.096 4.736 4.640 0.001 0.000 0.251 672 D C 0.126 176.345 176.300 -0.136 0.000 1.073 672 D CA 0.752 54.656 54.000 -0.159 0.000 0.892 672 D CB 1.347 42.069 40.800 -0.130 0.000 1.202 672 D HN 0.210 nan 8.370 nan 0.000 0.496 673 V N 2.014 121.804 119.914 -0.207 0.000 2.409 673 V HA 0.320 4.440 4.120 0.001 0.000 0.291 673 V C -0.928 175.071 176.094 -0.158 0.000 1.020 673 V CA -0.611 61.669 62.300 -0.032 0.000 0.848 673 V CB 1.346 33.231 31.823 0.104 0.000 0.990 673 V HN -0.080 nan 8.190 nan 0.000 0.430 674 F N 3.798 123.859 119.950 0.185 0.000 2.332 674 F HA 0.493 5.020 4.527 0.000 0.000 0.368 674 F C 0.733 176.646 175.800 0.188 0.000 1.110 674 F CA -0.534 57.577 58.000 0.186 0.000 1.087 674 F CB 1.096 40.205 39.000 0.182 0.000 1.235 674 F HN 0.353 nan 8.300 nan 0.000 0.470 675 R N 5.044 125.708 120.500 0.274 0.000 2.351 675 R HA 0.367 4.707 4.340 0.001 0.000 0.321 675 R C -0.746 175.714 176.300 0.266 0.000 1.182 675 R CA -0.129 56.083 56.100 0.187 0.000 1.011 675 R CB -0.139 30.186 30.300 0.041 0.000 1.048 675 R HN 0.655 nan 8.270 nan 0.000 0.490 676 I N 6.949 127.662 120.570 0.239 0.000 2.312 676 I HA 0.215 4.385 4.170 0.001 0.000 0.291 676 I C -0.248 175.961 176.117 0.153 0.000 1.031 676 I CA -0.519 60.910 61.300 0.214 0.000 1.293 676 I CB 0.392 38.543 38.000 0.251 0.000 1.403 676 I HN 0.459 nan 8.210 nan 0.000 0.484 677 F N 4.055 124.010 119.950 0.007 0.000 2.577 677 F HA 0.718 5.245 4.527 0.000 0.000 0.318 677 F C -1.029 174.792 175.800 0.034 0.000 1.065 677 F CA -1.385 56.612 58.000 -0.006 0.000 0.929 677 F CB 1.232 40.228 39.000 -0.006 0.000 1.237 677 F HN 0.290 nan 8.300 nan 0.000 0.468 678 D N 0.641 121.006 120.400 -0.058 0.000 2.248 678 D HA 0.334 4.974 4.640 0.001 0.000 0.246 678 D C 0.414 176.780 176.300 0.109 0.000 1.027 678 D CA -0.387 53.554 54.000 -0.098 0.000 0.853 678 D CB 2.124 42.942 40.800 0.030 0.000 1.243 678 D HN 0.690 nan 8.370 nan 0.000 0.462 679 S N 2.597 118.347 115.700 0.082 0.000 2.660 679 S HA 0.052 4.522 4.470 0.001 0.000 0.223 679 S C 0.930 175.636 174.600 0.176 0.000 0.963 679 S CA 0.163 58.482 58.200 0.199 0.000 0.932 679 S CB -0.288 63.013 63.200 0.167 0.000 0.775 679 S HN 0.572 nan 8.310 nan 0.000 0.531 680 L N 0.093 121.431 121.223 0.193 0.000 3.386 680 L HA 0.361 4.702 4.340 0.001 0.000 0.307 680 L C -0.172 176.847 176.870 0.248 0.000 1.235 680 L CA -0.352 54.604 54.840 0.193 0.000 1.056 680 L CB 0.000 42.164 42.059 0.174 0.000 1.453 680 L HN 0.075 nan 8.230 nan 0.000 0.615 681 N N -0.028 118.829 118.700 0.261 0.000 2.708 681 N HA -0.241 4.499 4.740 0.001 0.000 0.249 681 N C -0.656 175.047 175.510 0.322 0.000 1.097 681 N CA 0.792 54.012 53.050 0.282 0.000 0.710 681 N CB -1.047 37.657 38.487 0.361 0.000 1.032 681 N HN 0.436 nan 8.380 nan 0.000 0.551 682 W N 0.896 122.245 121.300 0.081 0.000 2.342 682 W HA 0.452 5.112 4.660 0.000 0.000 0.310 682 W C 0.928 177.474 176.519 0.045 0.000 1.128 682 W CA -0.921 56.457 57.345 0.055 0.000 1.322 682 W CB 0.267 29.747 29.460 0.032 0.000 1.251 682 W HN -0.080 nan 8.180 nan 0.000 0.439 683 V N 5.156 125.064 119.914 -0.010 0.000 2.626 683 V HA -0.252 3.868 4.120 0.001 0.000 0.252 683 V C 2.173 178.082 176.094 -0.308 0.000 1.067 683 V CA 2.127 64.368 62.300 -0.097 0.000 1.081 683 V CB -0.545 31.277 31.823 -0.002 0.000 0.686 683 V HN 0.586 nan 8.190 nan 0.000 0.468 684 D N -0.172 119.794 120.400 -0.723 0.000 2.149 684 D HA -0.189 4.452 4.640 0.001 0.000 0.198 684 D C 2.263 178.148 176.300 -0.693 0.000 0.990 684 D CA 1.170 54.683 54.000 -0.811 0.000 0.839 684 D CB 0.048 40.099 40.800 -1.248 0.000 0.948 684 D HN 0.412 nan 8.370 nan 0.000 0.460 685 Q N -0.414 118.932 119.800 -0.758 0.000 2.224 685 Q HA -0.094 4.247 4.340 0.001 0.000 0.203 685 Q C 1.906 177.789 176.000 -0.194 0.000 0.970 685 Q CA 0.733 56.311 55.803 -0.375 0.000 0.865 685 Q CB -0.092 28.531 28.738 -0.191 0.000 0.922 685 Q HN 0.549 nan 8.270 nan 0.000 0.445 686 M N -2.090 117.424 119.600 -0.144 0.000 2.637 686 M HA 0.250 4.730 4.480 0.001 0.000 0.286 686 M C 0.753 177.083 176.300 0.050 0.000 1.246 686 M CA 0.145 55.444 55.300 -0.003 0.000 0.978 686 M CB 0.303 32.945 32.600 0.070 0.000 1.417 686 M HN -0.173 nan 8.290 nan 0.000 0.487 687 K N 0.841 121.200 120.400 -0.068 0.000 2.128 687 K HA 0.064 4.384 4.320 0.001 0.000 0.202 687 K C 1.924 178.448 176.600 -0.126 0.000 1.050 687 K CA 0.846 57.073 56.287 -0.099 0.000 0.966 687 K CB 0.083 32.513 32.500 -0.117 0.000 0.759 687 K HN 0.241 nan 8.250 nan 0.000 0.454 688 V N 1.813 121.657 119.914 -0.118 0.000 2.407 688 V HA -0.252 3.868 4.120 0.001 0.000 0.248 688 V C 2.382 178.335 176.094 -0.235 0.000 1.055 688 V CA 2.124 64.335 62.300 -0.148 0.000 1.049 688 V CB -0.725 31.040 31.823 -0.096 0.000 0.662 688 V HN 0.326 nan 8.190 nan 0.000 0.455 689 A N 0.421 123.149 122.820 -0.153 0.000 1.873 689 A HA -0.231 4.090 4.320 0.001 0.000 0.215 689 A C 2.125 179.605 177.584 -0.174 0.000 1.186 689 A CA 1.948 53.896 52.037 -0.149 0.000 0.616 689 A CB -0.803 18.176 19.000 -0.034 0.000 0.823 689 A HN 0.548 nan 8.150 nan 0.000 0.442 690 N N 0.166 118.779 118.700 -0.144 0.000 2.061 690 N HA -0.198 4.542 4.740 0.001 0.000 0.193 690 N C 1.659 176.992 175.510 -0.294 0.000 1.030 690 N CA 2.079 54.936 53.050 -0.322 0.000 0.856 690 N CB -0.356 37.730 38.487 -0.669 0.000 1.023 690 N HN 0.637 nan 8.380 nan 0.000 0.424 691 E N -0.405 119.648 120.200 -0.245 0.000 2.058 691 E HA -0.166 4.185 4.350 0.001 0.000 0.194 691 E C 1.883 178.383 176.600 -0.167 0.000 0.997 691 E CA 1.278 57.573 56.400 -0.175 0.000 0.801 691 E CB -0.232 29.400 29.700 -0.113 0.000 0.746 691 E HN 0.502 nan 8.360 nan 0.000 0.450 692 A N 0.788 123.420 122.820 -0.313 0.000 1.898 692 A HA -0.129 4.191 4.320 0.001 0.000 0.216 692 A C 2.477 179.933 177.584 -0.213 0.000 1.181 692 A CA 1.143 53.004 52.037 -0.294 0.000 0.620 692 A CB -0.560 18.156 19.000 -0.474 0.000 0.819 692 A HN 0.118 nan 8.150 nan 0.000 0.442 693 V N 0.045 119.794 119.914 -0.274 0.000 2.358 693 V HA -0.242 3.878 4.120 0.001 0.000 0.246 693 V C 2.713 178.777 176.094 -0.049 0.000 1.047 693 V CA 1.921 64.072 62.300 -0.249 0.000 1.035 693 V CB -0.746 30.934 31.823 -0.238 0.000 0.658 693 V HN 0.532 nan 8.190 nan 0.000 0.452 694 Q N 0.002 119.768 119.800 -0.056 0.000 2.084 694 Q HA -0.222 4.118 4.340 0.001 0.000 0.202 694 Q C 2.245 178.254 176.000 0.015 0.000 0.978 694 Q CA 1.643 57.450 55.803 0.006 0.000 0.844 694 Q CB -0.282 28.417 28.738 -0.066 0.000 0.898 694 Q HN 0.709 nan 8.270 nan 0.000 0.426 695 E N 0.409 120.604 120.200 -0.009 0.000 2.153 695 E HA -0.107 4.243 4.350 0.001 0.000 0.194 695 E C 1.707 178.315 176.600 0.014 0.000 0.988 695 E CA 0.839 57.246 56.400 0.012 0.000 0.811 695 E CB -0.021 29.701 29.700 0.038 0.000 0.746 695 E HN 0.303 nan 8.360 nan 0.000 0.466 696 A N 0.356 123.177 122.820 0.003 0.000 2.168 696 A HA 0.122 4.442 4.320 0.001 0.000 0.215 696 A C 1.712 179.324 177.584 0.047 0.000 1.152 696 A CA 0.883 52.931 52.037 0.018 0.000 0.716 696 A CB -0.465 18.536 19.000 0.000 0.000 0.794 696 A HN 0.329 nan 8.150 nan 0.000 0.465 697 G N -0.715 108.118 108.800 0.055 0.000 2.246 697 G HA2 -0.228 3.732 3.960 0.001 0.000 0.273 697 G HA3 -0.228 3.732 3.960 0.001 0.000 0.273 697 G C 0.079 175.024 174.900 0.075 0.000 1.055 697 G CA 0.699 45.835 45.100 0.059 0.000 0.851 697 G HN 0.463 nan 8.290 nan 0.000 0.500 698 K N -0.802 119.684 120.400 0.144 0.000 2.316 698 K HA 0.629 4.949 4.320 0.001 0.000 0.234 698 K C 0.659 177.409 176.600 0.250 0.000 1.054 698 K CA -1.184 55.223 56.287 0.200 0.000 0.879 698 K CB 1.276 34.013 32.500 0.393 0.000 1.252 698 K HN 0.158 nan 8.250 nan 0.000 0.471 699 I N 1.204 121.928 120.570 0.257 0.000 2.379 699 I HA 0.026 4.197 4.170 0.001 0.000 0.290 699 I C 0.533 176.972 176.117 0.537 0.000 1.063 699 I CA 0.066 61.571 61.300 0.341 0.000 1.351 699 I CB 0.917 39.056 38.000 0.232 0.000 1.410 699 I HN 0.217 nan 8.210 nan 0.000 0.505 700 S N 5.951 122.054 115.700 0.671 0.000 2.438 700 S HA 0.224 4.694 4.470 0.001 0.000 0.293 700 S C -0.290 174.633 174.600 0.539 0.000 1.141 700 S CA -0.569 57.938 58.200 0.512 0.000 1.080 700 S CB 0.519 63.872 63.200 0.255 0.000 0.978 700 S HN 0.615 nan 8.310 nan 0.000 0.479 701 E N 3.667 124.134 120.200 0.445 0.000 2.073 701 E HA 0.482 4.832 4.350 0.001 0.000 0.269 701 E C 0.167 176.757 176.600 -0.017 0.000 0.917 701 E CA -0.594 55.958 56.400 0.252 0.000 0.757 701 E CB 0.766 30.586 29.700 0.201 0.000 1.111 701 E HN 0.724 nan 8.360 nan 0.000 0.410 702 G N 3.146 111.743 108.800 -0.339 0.000 2.361 702 G HA2 0.234 4.195 3.960 0.001 0.000 0.260 702 G HA3 0.234 4.195 3.960 0.001 0.000 0.260 702 G C -0.341 174.325 174.900 -0.390 0.000 1.261 702 G CA -0.130 44.375 45.100 -0.992 0.000 0.897 702 G HN 0.452 nan 8.290 nan 0.000 0.499 703 T N 2.349 116.726 114.554 -0.295 0.000 2.829 703 T HA 0.506 4.856 4.350 0.001 0.000 0.280 703 T C 0.006 174.705 174.700 -0.001 0.000 0.999 703 T CA -0.266 61.786 62.100 -0.080 0.000 0.983 703 T CB 1.641 70.527 68.868 0.031 0.000 0.968 703 T HN 0.349 nan 8.240 nan 0.000 0.446 704 I N 1.937 122.540 120.570 0.054 0.000 2.355 704 I HA 0.301 4.471 4.170 0.001 0.000 0.288 704 I C -0.041 176.196 176.117 0.200 0.000 0.999 704 I CA -0.717 60.678 61.300 0.158 0.000 1.163 704 I CB 1.039 39.161 38.000 0.203 0.000 1.316 704 I HN 0.578 nan 8.210 nan 0.000 0.454 705 C N 5.740 125.184 119.300 0.241 0.000 2.585 705 C HA 0.166 4.626 4.460 0.001 0.000 0.406 705 C C 0.099 175.270 174.990 0.302 0.000 1.312 705 C CA -0.274 58.878 59.018 0.224 0.000 1.924 705 C CB -0.503 27.357 27.740 0.200 0.000 2.578 705 C HN 0.549 nan 8.230 nan 0.000 0.580 706 Y N 2.546 122.920 120.300 0.123 0.000 2.326 706 Y HA 0.510 5.061 4.550 0.001 0.000 0.337 706 Y C 0.415 176.362 175.900 0.078 0.000 1.023 706 Y CA 0.301 58.474 58.100 0.121 0.000 1.143 706 Y CB 0.839 39.290 38.460 -0.014 0.000 1.183 706 Y HN 0.773 nan 8.280 nan 0.000 0.485 707 T N 4.316 118.556 114.554 -0.524 0.000 2.906 707 T HA 0.682 5.033 4.350 0.001 0.000 0.295 707 T C 0.131 174.473 174.700 -0.596 0.000 1.061 707 T CA -0.107 61.680 62.100 -0.522 0.000 1.000 707 T CB 1.402 69.849 68.868 -0.702 0.000 1.103 707 T HN 1.190 nan 8.240 nan 0.000 0.486 708 G N 1.783 110.397 108.800 -0.309 0.000 2.509 708 G HA2 -0.030 3.931 3.960 0.001 0.000 0.259 708 G HA3 -0.030 3.931 3.960 0.001 0.000 0.259 708 G C -1.078 173.801 174.900 -0.035 0.000 1.169 708 G CA 0.428 45.455 45.100 -0.123 0.000 0.953 708 G HN 0.952 nan 8.290 nan 0.000 0.563 709 D N -0.284 120.147 120.400 0.053 0.000 2.548 709 D HA 0.359 4.999 4.640 0.001 0.000 0.214 709 D C 1.203 177.610 176.300 0.179 0.000 1.345 709 D CA 0.117 54.208 54.000 0.151 0.000 0.945 709 D CB 0.361 41.221 40.800 0.100 0.000 1.499 709 D HN 1.041 nan 8.370 nan 0.000 0.579 710 I N 0.517 121.248 120.570 0.269 0.000 3.291 710 I HA 0.107 4.277 4.170 0.001 0.000 0.279 710 I C 0.772 176.984 176.117 0.159 0.000 1.294 710 I CA 0.320 61.770 61.300 0.250 0.000 1.428 710 I CB 0.006 38.208 38.000 0.337 0.000 1.070 710 I HN 0.244 nan 8.210 nan 0.000 0.478 711 L N 0.527 121.822 121.223 0.120 0.000 2.567 711 L HA 0.231 4.571 4.340 0.001 0.000 0.225 711 L C 0.370 177.271 176.870 0.052 0.000 1.119 711 L CA 0.207 55.087 54.840 0.068 0.000 0.871 711 L CB -0.444 41.635 42.059 0.033 0.000 1.036 711 L HN 0.255 nan 8.230 nan 0.000 0.459 712 N N 0.023 118.762 118.700 0.065 0.000 2.483 712 N HA 0.249 4.989 4.740 0.001 0.000 0.267 712 N C -2.101 173.444 175.510 0.059 0.000 0.998 712 N CA -1.824 51.256 53.050 0.051 0.000 0.918 712 N CB 2.009 40.522 38.487 0.044 0.000 1.215 712 N HN -0.252 nan 8.380 nan 0.000 0.500 713 P HA 0.029 nan 4.420 nan 0.000 0.225 713 P C 0.722 178.039 177.300 0.028 0.000 1.156 713 P CA 0.636 63.758 63.100 0.037 0.000 0.787 713 P CB 0.659 32.375 31.700 0.026 0.000 0.802 714 E N -0.574 119.641 120.200 0.025 0.000 2.347 714 E HA -0.096 4.254 4.350 0.001 0.000 0.196 714 E C 2.122 178.743 176.600 0.035 0.000 1.008 714 E CA 0.615 57.024 56.400 0.014 0.000 0.852 714 E CB -0.250 29.457 29.700 0.011 0.000 0.783 714 E HN -0.092 nan 8.360 nan 0.000 0.505 715 R N -0.567 119.975 120.500 0.070 0.000 2.052 715 R HA 0.136 4.477 4.340 0.001 0.000 0.224 715 R C 0.850 177.250 176.300 0.167 0.000 1.149 715 R CA 0.854 57.031 56.100 0.129 0.000 0.962 715 R CB 0.029 30.400 30.300 0.119 0.000 0.856 715 R HN 0.114 nan 8.270 nan 0.000 0.433 716 S N -2.627 113.145 115.700 0.120 0.000 2.790 716 S HA 0.267 4.738 4.470 0.001 0.000 0.292 716 S C 0.771 175.389 174.600 0.030 0.000 1.197 716 S CA -0.207 58.058 58.200 0.108 0.000 0.851 716 S CB 0.289 63.591 63.200 0.170 0.000 1.217 716 S HN 0.134 nan 8.310 nan 0.000 0.526 717 I N 0.175 120.597 120.570 -0.246 0.000 3.931 717 I HA -0.345 3.825 4.170 0.001 0.000 0.141 717 I C 0.391 176.108 176.117 -0.666 0.000 0.590 717 I CA 2.319 63.309 61.300 -0.516 0.000 1.096 717 I CB -1.011 36.489 38.000 -0.832 0.000 0.947 717 I HN 0.669 nan 8.210 nan 0.000 0.238 718 Y N 2.213 122.294 120.300 -0.365 0.000 2.826 718 Y HA 0.313 4.863 4.550 0.001 0.000 0.371 718 Y C 1.226 177.029 175.900 -0.162 0.000 1.252 718 Y CA -0.178 57.623 58.100 -0.498 0.000 1.813 718 Y CB -0.348 37.865 38.460 -0.411 0.000 1.913 718 Y HN 0.277 nan 8.280 nan 0.000 0.447 719 T N -3.543 111.035 114.554 0.040 0.000 2.880 719 T HA 0.156 4.506 4.350 0.001 0.000 0.279 719 T C 1.017 175.909 174.700 0.321 0.000 0.990 719 T CA -0.813 61.392 62.100 0.175 0.000 0.938 719 T CB 1.019 69.953 68.868 0.108 0.000 1.206 719 T HN 0.281 nan 8.240 nan 0.000 0.573 720 L N 0.744 122.152 121.223 0.307 0.000 2.042 720 L HA 0.005 4.345 4.340 0.001 0.000 0.210 720 L C 2.681 179.706 176.870 0.257 0.000 1.076 720 L CA 2.310 57.346 54.840 0.326 0.000 0.749 720 L CB -1.296 40.888 42.059 0.209 0.000 0.893 720 L HN 0.976 nan 8.230 nan 0.000 0.432 721 E N -1.144 119.160 120.200 0.173 0.000 2.049 721 E HA -0.362 3.989 4.350 0.001 0.000 0.198 721 E C 2.275 178.943 176.600 0.113 0.000 1.007 721 E CA 2.114 58.586 56.400 0.120 0.000 0.809 721 E CB -0.827 28.925 29.700 0.087 0.000 0.749 721 E HN 0.566 nan 8.360 nan 0.000 0.450 722 Y N -0.116 120.168 120.300 -0.027 0.000 2.102 722 Y HA -0.342 4.208 4.550 0.001 0.000 0.280 722 Y C 1.947 177.801 175.900 -0.077 0.000 1.178 722 Y CA 2.436 60.465 58.100 -0.119 0.000 1.146 722 Y CB -0.741 37.554 38.460 -0.274 0.000 0.968 722 Y HN 0.214 nan 8.280 nan 0.000 0.504 723 Y N -1.225 119.094 120.300 0.031 0.000 2.242 723 Y HA -0.217 4.334 4.550 0.001 0.000 0.291 723 Y C 2.550 178.409 175.900 -0.068 0.000 1.137 723 Y CA 1.315 59.386 58.100 -0.047 0.000 1.181 723 Y CB -0.516 38.041 38.460 0.161 0.000 0.989 723 Y HN -0.010 nan 8.280 nan 0.000 0.527 724 V N 0.467 120.459 119.914 0.130 0.000 2.295 724 V HA -0.315 3.805 4.120 0.001 0.000 0.246 724 V C 2.101 178.199 176.094 0.008 0.000 1.049 724 V CA 1.890 64.230 62.300 0.067 0.000 1.024 724 V CB -0.540 31.324 31.823 0.069 0.000 0.648 724 V HN 0.382 nan 8.190 nan 0.000 0.447 725 K N -0.402 119.979 120.400 -0.031 0.000 2.032 725 K HA -0.216 4.105 4.320 0.001 0.000 0.209 725 K C 2.141 178.694 176.600 -0.078 0.000 1.048 725 K CA 1.533 57.789 56.287 -0.051 0.000 0.927 725 K CB -0.478 31.986 32.500 -0.061 0.000 0.712 725 K HN 0.234 nan 8.250 nan 0.000 0.441 726 L N 1.221 122.344 121.223 -0.167 0.000 2.017 726 L HA -0.166 4.174 4.340 0.001 0.000 0.208 726 L C 2.333 179.174 176.870 -0.049 0.000 1.073 726 L CA 1.813 56.563 54.840 -0.150 0.000 0.745 726 L CB -0.754 41.133 42.059 -0.288 0.000 0.894 726 L HN 0.165 nan 8.230 nan 0.000 0.432 727 A N -0.805 122.004 122.820 -0.019 0.000 1.883 727 A HA -0.284 4.036 4.320 0.001 0.000 0.217 727 A C 2.353 179.946 177.584 0.016 0.000 1.186 727 A CA 2.190 54.233 52.037 0.009 0.000 0.624 727 A CB -0.559 18.457 19.000 0.025 0.000 0.822 727 A HN 0.479 nan 8.150 nan 0.000 0.444 728 K N -0.843 119.565 120.400 0.012 0.000 2.147 728 K HA -0.153 4.168 4.320 0.001 0.000 0.205 728 K C 2.090 178.705 176.600 0.025 0.000 1.049 728 K CA 1.427 57.725 56.287 0.019 0.000 0.936 728 K CB -0.096 32.412 32.500 0.013 0.000 0.722 728 K HN 0.696 nan 8.250 nan 0.000 0.446 729 E N 0.863 121.074 120.200 0.018 0.000 2.106 729 E HA -0.137 4.213 4.350 0.001 0.000 0.192 729 E C 1.766 178.406 176.600 0.068 0.000 0.984 729 E CA 0.760 57.178 56.400 0.030 0.000 0.806 729 E CB 0.136 29.845 29.700 0.015 0.000 0.750 729 E HN 0.217 nan 8.360 nan 0.000 0.458 730 L N 0.244 121.516 121.223 0.083 0.000 2.209 730 L HA -0.029 4.311 4.340 0.001 0.000 0.207 730 L C 2.535 179.539 176.870 0.224 0.000 1.094 730 L CA 0.754 55.707 54.840 0.188 0.000 0.790 730 L CB -0.291 41.801 42.059 0.054 0.000 0.932 730 L HN 0.191 nan 8.230 nan 0.000 0.447 731 E N 0.876 121.147 120.200 0.118 0.000 2.110 731 E HA -0.269 4.082 4.350 0.001 0.000 0.193 731 E C 2.310 178.949 176.600 0.065 0.000 0.988 731 E CA 1.088 57.544 56.400 0.093 0.000 0.804 731 E CB 0.131 29.867 29.700 0.060 0.000 0.745 731 E HN 0.253 nan 8.360 nan 0.000 0.458 732 R N 0.188 120.720 120.500 0.053 0.000 2.148 732 R HA -0.083 4.257 4.340 0.001 0.000 0.227 732 R C 1.935 178.241 176.300 0.010 0.000 1.103 732 R CA 1.114 57.230 56.100 0.027 0.000 0.983 732 R CB 0.171 30.485 30.300 0.024 0.000 0.874 732 R HN 0.117 nan 8.270 nan 0.000 0.451 733 E N -1.053 119.170 120.200 0.038 0.000 2.347 733 E HA -0.021 4.329 4.350 0.001 0.000 0.196 733 E C 1.035 177.526 176.600 -0.181 0.000 1.008 733 E CA 1.078 57.459 56.400 -0.032 0.000 0.852 733 E CB 0.516 30.266 29.700 0.084 0.000 0.783 733 E HN 0.596 nan 8.360 nan 0.000 0.505 734 G N 0.591 109.317 108.800 -0.123 0.000 2.184 734 G HA2 -0.237 3.723 3.960 0.001 0.000 0.206 734 G HA3 -0.237 3.723 3.960 0.001 0.000 0.206 734 G C 0.156 174.859 174.900 -0.329 0.000 0.995 734 G CA -0.176 44.800 45.100 -0.208 0.000 0.651 734 G HN 0.173 nan 8.290 nan 0.000 0.511 735 F N 1.538 121.383 119.950 -0.174 0.000 2.602 735 F HA 0.278 4.806 4.527 0.001 0.000 0.367 735 F C 2.008 177.706 175.800 -0.170 0.000 1.126 735 F CA 0.579 58.465 58.000 -0.189 0.000 1.321 735 F CB 0.513 39.483 39.000 -0.050 0.000 1.094 735 F HN 0.095 nan 8.300 nan 0.000 0.594 736 H N 2.772 122.007 119.070 0.275 0.000 2.415 736 H HA 0.266 4.822 4.556 0.001 0.000 0.297 736 H C 0.433 175.870 175.328 0.180 0.000 1.048 736 H CA 1.029 57.192 56.048 0.193 0.000 1.365 736 H CB 0.321 30.193 29.762 0.185 0.000 1.421 736 H HN 0.324 nan 8.280 nan 0.000 0.533 737 I N 1.176 121.928 120.570 0.303 0.000 2.647 737 I HA 0.121 4.292 4.170 0.001 0.000 0.295 737 I C -0.889 175.300 176.117 0.119 0.000 1.078 737 I CA -1.087 60.331 61.300 0.195 0.000 1.048 737 I CB 3.222 41.349 38.000 0.213 0.000 1.239 737 I HN -0.120 nan 8.210 nan 0.000 0.421 738 L N 5.979 127.240 121.223 0.064 0.000 2.281 738 L HA 0.716 5.056 4.340 0.001 0.000 0.285 738 L C -0.074 176.801 176.870 0.008 0.000 1.074 738 L CA 0.290 55.136 54.840 0.011 0.000 0.817 738 L CB 0.777 42.839 42.059 0.005 0.000 1.168 738 L HN 0.710 nan 8.230 nan 0.000 0.434 739 A N 6.223 129.027 122.820 -0.027 0.000 2.337 739 A HA 0.788 5.109 4.320 0.001 0.000 0.329 739 A C -0.779 176.782 177.584 -0.038 0.000 1.146 739 A CA -0.571 51.439 52.037 -0.046 0.000 0.800 739 A CB 0.787 19.711 19.000 -0.127 0.000 1.220 739 A HN 0.680 nan 8.150 nan 0.000 0.472 740 I N 1.676 122.229 120.570 -0.029 0.000 2.382 740 I HA 0.301 4.471 4.170 0.001 0.000 0.285 740 I C 0.105 176.234 176.117 0.020 0.000 1.007 740 I CA -0.263 61.033 61.300 -0.007 0.000 1.142 740 I CB 1.702 39.672 38.000 -0.050 0.000 1.289 740 I HN 0.656 nan 8.210 nan 0.000 0.453 741 K N 4.993 125.413 120.400 0.033 0.000 2.268 741 K HA 0.178 4.498 4.320 0.001 0.000 0.276 741 K C -0.546 176.134 176.600 0.132 0.000 1.080 741 K CA -0.427 55.882 56.287 0.036 0.000 0.910 741 K CB 0.535 32.968 32.500 -0.112 0.000 1.163 741 K HN 0.418 nan 8.250 nan 0.000 0.465 742 D N 6.037 126.541 120.400 0.174 0.000 2.564 742 D HA 0.015 4.655 4.640 0.001 0.000 0.226 742 D C 1.371 177.829 176.300 0.263 0.000 1.149 742 D CA -0.457 53.661 54.000 0.197 0.000 0.994 742 D CB 0.567 41.425 40.800 0.097 0.000 1.029 742 D HN 0.563 nan 8.370 nan 0.000 0.517 743 M N 0.612 120.363 119.600 0.252 0.000 2.374 743 M HA 0.030 4.510 4.480 0.001 0.000 0.264 743 M C 1.040 177.449 176.300 0.182 0.000 1.067 743 M CA 1.073 56.547 55.300 0.291 0.000 1.103 743 M CB -0.925 31.740 32.600 0.109 0.000 1.402 743 M HN 0.242 nan 8.290 nan 0.000 0.444 744 A N 0.072 122.977 122.820 0.142 0.000 2.390 744 A HA 0.552 4.873 4.320 0.001 0.000 0.232 744 A C 1.542 179.152 177.584 0.044 0.000 1.233 744 A CA 0.441 52.517 52.037 0.066 0.000 0.907 744 A CB -0.576 18.456 19.000 0.053 0.000 0.967 744 A HN 0.847 nan 8.150 nan 0.000 0.512 745 G N -0.350 108.514 108.800 0.108 0.000 2.198 745 G HA2 -0.244 3.717 3.960 0.001 0.000 0.257 745 G HA3 -0.244 3.717 3.960 0.001 0.000 0.257 745 G C 0.609 175.553 174.900 0.073 0.000 1.042 745 G CA 0.530 45.661 45.100 0.053 0.000 0.791 745 G HN 0.453 nan 8.290 nan 0.000 0.502 746 L N -1.123 120.226 121.223 0.209 0.000 2.418 746 L HA 0.254 4.594 4.340 0.001 0.000 0.218 746 L C 1.675 178.845 176.870 0.500 0.000 1.125 746 L CA -0.007 55.076 54.840 0.406 0.000 0.835 746 L CB 0.069 42.352 42.059 0.373 0.000 0.953 746 L HN 0.317 nan 8.230 nan 0.000 0.454 747 L N 2.121 123.468 121.223 0.207 0.000 2.415 747 L HA 0.102 4.442 4.340 0.001 0.000 0.269 747 L C 0.502 177.367 176.870 -0.009 0.000 1.244 747 L CA 0.128 54.883 54.840 -0.142 0.000 1.113 747 L CB -0.733 41.009 42.059 -0.529 0.000 1.352 747 L HN -0.006 nan 8.230 nan 0.000 0.433 748 K N 4.795 125.225 120.400 0.050 0.000 2.397 748 K HA 0.001 4.322 4.320 0.001 0.000 0.265 748 K C -1.522 175.065 176.600 -0.022 0.000 0.982 748 K CA -0.945 55.337 56.287 -0.008 0.000 0.931 748 K CB -0.225 32.189 32.500 -0.145 0.000 0.943 748 K HN 0.266 nan 8.250 nan 0.000 0.501 749 P HA -0.290 nan 4.420 nan 0.000 0.216 749 P C 1.127 178.434 177.300 0.012 0.000 1.167 749 P CA 1.431 64.529 63.100 -0.003 0.000 0.914 749 P CB 0.161 31.854 31.700 -0.012 0.000 0.793 750 K N -0.342 120.053 120.400 -0.009 0.000 1.991 750 K HA -0.140 4.181 4.320 0.001 0.000 0.212 750 K C 2.065 178.692 176.600 0.044 0.000 1.049 750 K CA 2.084 58.373 56.287 0.003 0.000 0.932 750 K CB -1.296 31.186 32.500 -0.029 0.000 0.717 750 K HN 0.000 nan 8.250 nan 0.000 0.441 751 A N 0.879 123.708 122.820 0.016 0.000 1.958 751 A HA -0.222 4.099 4.320 0.001 0.000 0.221 751 A C 2.354 179.920 177.584 -0.030 0.000 1.178 751 A CA 2.702 54.751 52.037 0.020 0.000 0.642 751 A CB -0.712 18.306 19.000 0.030 0.000 0.816 751 A HN 0.446 nan 8.150 nan 0.000 0.453 752 A N -2.101 120.688 122.820 -0.051 0.000 1.929 752 A HA -0.035 4.285 4.320 0.001 0.000 0.216 752 A C 2.119 179.687 177.584 -0.026 0.000 1.176 752 A CA 1.442 53.429 52.037 -0.083 0.000 0.628 752 A CB -0.715 18.247 19.000 -0.065 0.000 0.816 752 A HN 0.701 nan 8.150 nan 0.000 0.444 753 Y N 0.507 120.763 120.300 -0.073 0.000 2.181 753 Y HA -0.203 4.347 4.550 0.001 0.000 0.288 753 Y C 2.423 178.295 175.900 -0.047 0.000 1.146 753 Y CA 2.237 60.300 58.100 -0.061 0.000 1.164 753 Y CB -0.034 38.395 38.460 -0.053 0.000 0.982 753 Y HN 0.428 nan 8.280 nan 0.000 0.515 754 E N -0.293 120.030 120.200 0.204 0.000 2.072 754 E HA -0.216 4.134 4.350 0.001 0.000 0.191 754 E C 2.028 178.654 176.600 0.043 0.000 0.985 754 E CA 1.134 57.617 56.400 0.139 0.000 0.801 754 E CB -0.239 29.535 29.700 0.124 0.000 0.750 754 E HN 0.397 nan 8.360 nan 0.000 0.452 755 L N 0.946 122.168 121.223 -0.002 0.000 1.994 755 L HA -0.177 4.164 4.340 0.001 0.000 0.208 755 L C 2.131 178.960 176.870 -0.069 0.000 1.071 755 L CA 1.584 56.400 54.840 -0.041 0.000 0.745 755 L CB -0.205 41.769 42.059 -0.142 0.000 0.892 755 L HN 0.093 nan 8.230 nan 0.000 0.431 756 I N -0.964 119.535 120.570 -0.117 0.000 2.286 756 I HA -0.153 4.018 4.170 0.001 0.000 0.245 756 I C 2.457 178.483 176.117 -0.153 0.000 1.104 756 I CA 1.141 62.356 61.300 -0.141 0.000 1.397 756 I CB -0.957 36.938 38.000 -0.175 0.000 1.072 756 I HN 0.387 nan 8.210 nan 0.000 0.417 757 G N 0.398 109.075 108.800 -0.206 0.000 2.476 757 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 757 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 757 G C 1.593 176.438 174.900 -0.092 0.000 1.164 757 G CA 0.750 45.729 45.100 -0.202 0.000 0.768 757 G HN 0.278 nan 8.290 nan 0.000 0.560 758 E N 0.284 120.457 120.200 -0.045 0.000 2.107 758 E HA 0.048 4.398 4.350 0.001 0.000 0.191 758 E C 2.692 179.287 176.600 -0.008 0.000 0.982 758 E CA 0.278 56.675 56.400 -0.006 0.000 0.809 758 E CB -0.264 29.454 29.700 0.031 0.000 0.756 758 E HN 0.448 nan 8.360 nan 0.000 0.459 759 L N 0.884 122.096 121.223 -0.018 0.000 2.456 759 L HA -0.099 4.242 4.340 0.001 0.000 0.224 759 L C 2.323 179.176 176.870 -0.030 0.000 1.148 759 L CA 0.630 55.461 54.840 -0.014 0.000 0.825 759 L CB -0.241 41.807 42.059 -0.019 0.000 0.937 759 L HN -0.031 nan 8.230 nan 0.000 0.450 760 K N 0.186 120.556 120.400 -0.050 0.000 2.062 760 K HA -0.091 4.230 4.320 0.001 0.000 0.205 760 K C 2.369 178.947 176.600 -0.036 0.000 1.051 760 K CA 1.706 57.959 56.287 -0.056 0.000 0.941 760 K CB -0.069 32.381 32.500 -0.083 0.000 0.719 760 K HN 0.400 nan 8.250 nan 0.000 0.440 761 S N 0.338 116.023 115.700 -0.026 0.000 2.446 761 S HA 0.068 4.538 4.470 0.001 0.000 0.225 761 S C 2.234 176.832 174.600 -0.003 0.000 1.016 761 S CA 0.625 58.817 58.200 -0.014 0.000 0.943 761 S CB 0.122 63.317 63.200 -0.009 0.000 0.786 761 S HN 0.224 nan 8.310 nan 0.000 0.508 762 A N 2.031 124.852 122.820 0.001 0.000 1.872 762 A HA 0.385 4.705 4.320 0.001 0.000 0.214 762 A C 1.342 178.932 177.584 0.009 0.000 1.187 762 A CA 1.287 53.330 52.037 0.010 0.000 0.614 762 A CB -0.836 18.174 19.000 0.018 0.000 0.826 762 A HN 1.025 nan 8.150 nan 0.000 0.442 766 L N 3.517 124.760 121.223 0.034 0.000 4.422 766 L HA -0.104 4.236 4.340 0.001 0.000 0.545 766 L C -2.122 174.758 176.870 0.016 0.000 1.042 766 L CA 0.518 55.386 54.840 0.048 0.000 0.533 766 L CB -1.155 40.944 42.059 0.067 0.000 0.674 766 L HN 0.068 nan 8.230 nan 0.000 1.072 767 P HA 0.095 nan 4.420 nan 0.000 0.267 767 P C -0.307 176.965 177.300 -0.047 0.000 1.201 767 P CA 0.153 63.224 63.100 -0.048 0.000 0.775 767 P CB 0.455 32.110 31.700 -0.076 0.000 0.854 768 I N 1.696 122.215 120.570 -0.084 0.000 2.339 768 I HA 0.258 4.428 4.170 0.001 0.000 0.290 768 I C 0.473 176.546 176.117 -0.074 0.000 0.994 768 I CA -0.266 60.995 61.300 -0.066 0.000 1.191 768 I CB 0.704 38.653 38.000 -0.085 0.000 1.343 768 I HN 0.387 nan 8.210 nan 0.000 0.458 769 H N 6.722 125.705 119.070 -0.145 0.000 2.638 769 H HA 0.449 5.005 4.556 0.001 0.000 0.303 769 H C -1.276 173.983 175.328 -0.114 0.000 1.034 769 H CA -1.035 54.915 56.048 -0.163 0.000 1.225 769 H CB 1.209 30.887 29.762 -0.141 0.000 1.394 769 H HN 0.441 nan 8.280 nan 0.000 0.477 770 L N 5.414 126.690 121.223 0.088 0.000 2.289 770 L HA 0.256 4.597 4.340 0.001 0.000 0.285 770 L C -1.015 175.910 176.870 0.092 0.000 1.049 770 L CA -0.332 54.513 54.840 0.009 0.000 0.804 770 L CB 0.817 42.804 42.059 -0.119 0.000 1.195 770 L HN 0.736 nan 8.230 nan 0.000 0.428 771 H N 2.563 121.626 119.070 -0.012 0.000 2.547 771 H HA 0.660 5.216 4.556 0.001 0.000 0.342 771 H C -1.094 174.215 175.328 -0.031 0.000 1.048 771 H CA -0.160 55.874 56.048 -0.024 0.000 1.204 771 H CB 1.354 31.039 29.762 -0.128 0.000 1.493 771 H HN 0.698 nan 8.280 nan 0.000 0.511 772 T N 3.800 118.129 114.554 -0.375 0.000 2.883 772 T HA 0.292 4.642 4.350 0.001 0.000 0.301 772 T C -1.509 172.832 174.700 -0.598 0.000 1.158 772 T CA -0.725 61.179 62.100 -0.327 0.000 1.007 772 T CB 0.815 69.595 68.868 -0.147 0.000 1.186 772 T HN 0.658 nan 8.240 nan 0.000 0.499 773 H N 2.283 121.245 119.070 -0.179 0.000 2.466 773 H HA 0.272 4.829 4.556 0.001 0.000 0.338 773 H C -0.320 174.918 175.328 -0.151 0.000 1.091 773 H CA -0.529 55.424 56.048 -0.157 0.000 1.207 773 H CB 1.933 31.651 29.762 -0.074 0.000 1.466 773 H HN 0.582 nan 8.280 nan 0.000 0.493 774 D N 1.980 122.350 120.400 -0.050 0.000 2.400 774 D HA -0.063 4.577 4.640 0.001 0.000 0.243 774 D C 1.603 177.880 176.300 -0.038 0.000 1.184 774 D CA 0.169 54.120 54.000 -0.081 0.000 0.853 774 D CB -0.064 40.672 40.800 -0.107 0.000 0.944 774 D HN 0.601 nan 8.370 nan 0.000 0.501 775 T N -1.876 112.669 114.554 -0.015 0.000 2.929 775 T HA -0.152 4.198 4.350 0.001 0.000 0.271 775 T C 1.875 176.532 174.700 -0.071 0.000 1.085 775 T CA 1.971 64.064 62.100 -0.011 0.000 1.125 775 T CB 0.001 68.883 68.868 0.022 0.000 0.874 775 T HN 0.220 nan 8.240 nan 0.000 0.494 776 S N -0.550 115.070 115.700 -0.133 0.000 2.446 776 S HA 0.341 4.811 4.470 0.001 0.000 0.225 776 S C 1.984 176.555 174.600 -0.048 0.000 1.016 776 S CA 0.948 59.047 58.200 -0.169 0.000 0.943 776 S CB -0.421 62.621 63.200 -0.263 0.000 0.786 776 S HN 1.086 nan 8.310 nan 0.000 0.508 777 G N 1.405 110.186 108.800 -0.032 0.000 2.176 777 G HA2 -0.249 3.712 3.960 0.001 0.000 0.232 777 G HA3 -0.249 3.712 3.960 0.001 0.000 0.232 777 G C 0.281 175.180 174.900 -0.002 0.000 0.986 777 G CA 0.184 45.276 45.100 -0.012 0.000 0.643 777 G HN 0.601 nan 8.290 nan 0.000 0.522 778 N N 0.219 118.924 118.700 0.009 0.000 2.238 778 N HA 0.357 5.097 4.740 0.001 0.000 0.222 778 N C 2.055 177.543 175.510 -0.035 0.000 1.133 778 N CA 0.348 53.409 53.050 0.019 0.000 0.854 778 N CB 0.269 38.813 38.487 0.095 0.000 1.041 778 N HN 0.349 nan 8.380 nan 0.000 0.510 779 G N 1.072 109.812 108.800 -0.099 0.000 2.414 779 G HA2 -0.187 3.773 3.960 0.001 0.000 0.215 779 G HA3 -0.187 3.773 3.960 0.001 0.000 0.215 779 G C 1.354 176.082 174.900 -0.287 0.000 1.188 779 G CA 0.460 45.420 45.100 -0.234 0.000 0.783 779 G HN 0.155 nan 8.290 nan 0.000 0.537 780 L N -0.173 120.941 121.223 -0.183 0.000 2.012 780 L HA -0.063 4.278 4.340 0.001 0.000 0.210 780 L C 2.869 179.725 176.870 -0.023 0.000 1.073 780 L CA 0.649 55.433 54.840 -0.093 0.000 0.748 780 L CB -0.435 41.608 42.059 -0.026 0.000 0.891 780 L HN 0.180 nan 8.230 nan 0.000 0.431 781 L N -0.770 120.438 121.223 -0.026 0.000 2.012 781 L HA -0.271 4.069 4.340 0.001 0.000 0.210 781 L C 2.643 179.516 176.870 0.004 0.000 1.073 781 L CA 1.767 56.600 54.840 -0.010 0.000 0.748 781 L CB -0.396 41.659 42.059 -0.007 0.000 0.891 781 L HN 0.255 nan 8.230 nan 0.000 0.431 782 T N -1.378 113.174 114.554 -0.003 0.000 2.720 782 T HA -0.263 4.088 4.350 0.001 0.000 0.268 782 T C 1.635 176.419 174.700 0.139 0.000 1.037 782 T CA 1.670 63.789 62.100 0.031 0.000 1.144 782 T CB -0.394 68.469 68.868 -0.007 0.000 0.864 782 T HN 0.387 nan 8.240 nan 0.000 0.444 783 Y N 0.801 121.058 120.300 -0.071 0.000 2.200 783 Y HA -0.115 4.435 4.550 0.001 0.000 0.290 783 Y C 2.838 178.683 175.900 -0.092 0.000 1.137 783 Y CA 0.460 58.511 58.100 -0.082 0.000 1.163 783 Y CB -0.019 38.398 38.460 -0.071 0.000 0.988 783 Y HN -0.013 nan 8.280 nan 0.000 0.518 784 K N 0.644 121.085 120.400 0.070 0.000 2.044 784 K HA -0.240 4.080 4.320 0.001 0.000 0.210 784 K C 1.804 178.359 176.600 -0.076 0.000 1.049 784 K CA 1.618 57.868 56.287 -0.061 0.000 0.927 784 K CB -0.274 32.158 32.500 -0.114 0.000 0.713 784 K HN 0.363 nan 8.250 nan 0.000 0.443 785 Q N -0.302 119.489 119.800 -0.015 0.000 2.084 785 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 785 Q C 2.116 178.104 176.000 -0.021 0.000 0.978 785 Q CA 1.431 57.260 55.803 0.044 0.000 0.844 785 Q CB -0.401 28.390 28.738 0.089 0.000 0.898 785 Q HN 0.379 nan 8.270 nan 0.000 0.426 786 A N 1.024 123.813 122.820 -0.051 0.000 1.883 786 A HA -0.186 4.134 4.320 0.001 0.000 0.217 786 A C 2.198 179.676 177.584 -0.177 0.000 1.186 786 A CA 1.395 53.355 52.037 -0.127 0.000 0.624 786 A CB -0.773 18.151 19.000 -0.127 0.000 0.822 786 A HN 0.323 nan 8.150 nan 0.000 0.444 787 I N 0.003 120.478 120.570 -0.159 0.000 2.226 787 I HA -0.250 3.921 4.170 0.001 0.000 0.245 787 I C 1.745 177.764 176.117 -0.164 0.000 1.100 787 I CA 1.528 62.727 61.300 -0.168 0.000 1.374 787 I CB -0.462 37.449 38.000 -0.148 0.000 1.057 787 I HN 0.269 nan 8.210 nan 0.000 0.413 788 D N 1.065 121.377 120.400 -0.146 0.000 2.218 788 D HA -0.123 4.517 4.640 0.001 0.000 0.204 788 D C 2.021 178.174 176.300 -0.246 0.000 0.976 788 D CA 1.452 55.381 54.000 -0.118 0.000 0.853 788 D CB -0.037 40.776 40.800 0.022 0.000 0.939 788 D HN 0.388 nan 8.370 nan 0.000 0.481 789 A N -0.377 122.216 122.820 -0.379 0.000 2.251 789 A HA 0.425 4.745 4.320 0.001 0.000 0.209 789 A C 1.666 179.067 177.584 -0.306 0.000 1.187 789 A CA 0.949 52.673 52.037 -0.522 0.000 0.823 789 A CB 0.036 18.677 19.000 -0.598 0.000 0.846 789 A HN 0.237 nan 8.150 nan 0.000 0.486 790 G N -1.430 107.232 108.800 -0.231 0.000 2.144 790 G HA2 -0.145 3.815 3.960 0.001 0.000 0.218 790 G HA3 -0.145 3.815 3.960 0.001 0.000 0.218 790 G C 0.299 175.091 174.900 -0.180 0.000 0.988 790 G CA 0.055 45.045 45.100 -0.183 0.000 0.659 790 G HN 1.036 nan 8.290 nan 0.000 0.522 791 V N 0.550 120.347 119.914 -0.196 0.000 2.694 791 V HA 0.262 4.382 4.120 0.001 0.000 0.306 791 V C 1.505 177.470 176.094 -0.214 0.000 1.054 791 V CA 1.605 63.785 62.300 -0.201 0.000 1.161 791 V CB 0.725 32.414 31.823 -0.223 0.000 0.916 791 V HN 0.419 nan 8.190 nan 0.000 0.490 792 D N 4.772 125.039 120.400 -0.221 0.000 2.149 792 D HA 0.190 4.830 4.640 0.001 0.000 0.206 792 D C 0.001 176.110 176.300 -0.319 0.000 0.967 792 D CA 1.219 55.066 54.000 -0.255 0.000 0.848 792 D CB 0.162 40.809 40.800 -0.255 0.000 0.998 792 D HN 0.553 nan 8.370 nan 0.000 0.474 793 I N 0.520 120.863 120.570 -0.379 0.000 2.686 793 I HA 0.366 4.537 4.170 0.001 0.000 0.295 793 I C -0.947 174.934 176.117 -0.392 0.000 1.114 793 I CA -1.080 59.920 61.300 -0.500 0.000 1.038 793 I CB 2.541 39.947 38.000 -0.991 0.000 1.238 793 I HN -0.145 nan 8.210 nan 0.000 0.420 794 I N -0.082 120.274 120.570 -0.355 0.000 2.785 794 I HA 0.633 4.803 4.170 0.001 0.000 0.302 794 I C -1.319 174.736 176.117 -0.105 0.000 1.069 794 I CA -0.843 60.233 61.300 -0.374 0.000 1.045 794 I CB 1.947 39.440 38.000 -0.845 0.000 1.236 794 I HN 0.252 nan 8.210 nan 0.000 0.429 795 D N 3.386 123.814 120.400 0.046 0.000 2.317 795 D HA 0.433 5.073 4.640 0.001 0.000 0.234 795 D C 0.015 176.405 176.300 0.149 0.000 1.112 795 D CA 0.089 54.166 54.000 0.128 0.000 0.840 795 D CB 1.726 42.614 40.800 0.147 0.000 1.078 795 D HN 0.816 nan 8.370 nan 0.000 0.486 796 T N -1.169 113.440 114.554 0.092 0.000 2.927 796 T HA 0.904 5.255 4.350 0.001 0.000 0.286 796 T C -0.420 174.292 174.700 0.020 0.000 1.040 796 T CA -0.983 61.173 62.100 0.093 0.000 1.010 796 T CB 2.011 70.959 68.868 0.133 0.000 1.177 796 T HN 0.266 nan 8.240 nan 0.000 0.546 797 A N 0.668 123.503 122.820 0.026 0.000 2.498 797 A HA 0.764 5.085 4.320 0.001 0.000 0.298 797 A C 0.133 177.756 177.584 0.066 0.000 1.075 797 A CA -0.629 51.417 52.037 0.015 0.000 0.714 797 A CB 1.312 20.289 19.000 -0.039 0.000 1.299 797 A HN 1.877 nan 8.150 nan 0.000 0.407 798 V N 0.304 120.273 119.914 0.092 0.000 2.763 798 V HA 0.441 4.561 4.120 0.001 0.000 0.306 798 V C 1.471 177.600 176.094 0.059 0.000 1.059 798 V CA 0.486 62.860 62.300 0.123 0.000 1.138 798 V CB -0.076 31.863 31.823 0.194 0.000 0.940 798 V HN 1.952 nan 8.190 nan 0.000 0.489 799 A N 3.812 126.668 122.820 0.059 0.000 1.896 799 A HA -0.222 4.098 4.320 0.001 0.000 0.220 799 A C 2.398 179.993 177.584 0.019 0.000 1.206 799 A CA 3.125 55.182 52.037 0.034 0.000 0.647 799 A CB -1.355 17.662 19.000 0.028 0.000 0.828 799 A HN 1.879 nan 8.150 nan 0.000 0.455 800 S N -2.129 113.587 115.700 0.027 0.000 2.555 800 S HA 0.072 4.542 4.470 0.001 0.000 0.230 800 S C 1.189 175.801 174.600 0.020 0.000 0.978 800 S CA 1.233 59.450 58.200 0.029 0.000 0.934 800 S CB -0.109 63.122 63.200 0.052 0.000 0.766 800 S HN 0.372 nan 8.310 nan 0.000 0.533 801 M N 2.027 121.618 119.600 -0.015 0.000 2.496 801 M HA 0.348 4.828 4.480 0.001 0.000 0.330 801 M C 0.520 176.783 176.300 -0.061 0.000 1.133 801 M CA -0.052 55.203 55.300 -0.076 0.000 0.964 801 M CB 0.039 32.507 32.600 -0.220 0.000 1.401 801 M HN 0.513 nan 8.290 nan 0.000 0.520 802 S N -0.501 115.181 115.700 -0.029 0.000 2.766 802 S HA 0.928 5.398 4.470 0.001 0.000 0.307 802 S C 0.426 175.013 174.600 -0.022 0.000 1.121 802 S CA 0.229 58.412 58.200 -0.028 0.000 0.980 802 S CB 2.246 65.437 63.200 -0.015 0.000 1.159 802 S HN 0.613 nan 8.310 nan 0.000 0.546 803 G N -0.344 108.438 108.800 -0.030 0.000 2.712 803 G HA2 0.048 4.008 3.960 0.001 0.000 0.683 803 G HA3 0.048 4.008 3.960 0.001 0.000 0.683 803 G C -0.026 174.864 174.900 -0.017 0.000 1.320 803 G CA -0.497 44.588 45.100 -0.024 0.000 0.847 803 G HN 1.691 nan 8.290 nan 0.000 0.553 804 L N -2.157 119.060 121.223 -0.011 0.000 5.649 804 L HA -0.386 3.954 4.340 0.001 0.000 0.053 804 L C 2.862 179.739 176.870 0.011 0.000 2.365 804 L CA 3.287 58.129 54.840 0.003 0.000 1.747 804 L CB -1.789 40.275 42.059 0.008 0.000 2.675 804 L HN 1.823 nan 8.230 nan 0.000 0.926 805 T N -2.957 111.602 114.554 0.008 0.000 3.098 805 T HA 0.027 4.377 4.350 0.001 0.000 0.266 805 T C 0.913 175.660 174.700 0.077 0.000 1.145 805 T CA 0.949 63.049 62.100 0.000 0.000 1.092 805 T CB 0.087 68.915 68.868 -0.066 0.000 0.908 805 T HN 0.498 nan 8.240 nan 0.000 0.526 806 S N 0.354 116.096 115.700 0.070 0.000 2.566 806 S HA 0.348 4.818 4.470 0.001 0.000 0.277 806 S C -0.008 174.609 174.600 0.028 0.000 1.150 806 S CA -0.862 57.391 58.200 0.089 0.000 1.032 806 S CB 0.558 63.758 63.200 0.000 0.000 1.157 806 S HN 0.384 nan 8.310 nan 0.000 0.507 807 Q N 1.549 121.296 119.800 -0.088 0.000 2.260 807 Q HA 0.443 4.784 4.340 0.001 0.000 0.238 807 Q C -2.346 173.557 176.000 -0.161 0.000 0.948 807 Q CA -2.322 53.358 55.803 -0.206 0.000 0.895 807 Q CB -0.223 28.398 28.738 -0.194 0.000 1.218 807 Q HN 0.498 nan 8.270 nan 0.000 0.470 808 P HA -0.064 nan 4.420 nan 0.000 0.269 808 P C -0.161 177.097 177.300 -0.070 0.000 1.217 808 P CA -0.008 62.975 63.100 -0.196 0.000 0.783 808 P CB 0.484 31.953 31.700 -0.385 0.000 0.898 809 S N 0.747 116.434 115.700 -0.022 0.000 2.465 809 S HA 0.279 4.749 4.470 0.001 0.000 0.280 809 S C 1.613 176.260 174.600 0.079 0.000 1.232 809 S CA -0.043 58.176 58.200 0.032 0.000 1.066 809 S CB -0.479 62.746 63.200 0.042 0.000 0.929 809 S HN 0.454 nan 8.310 nan 0.000 0.494 810 A N 5.893 128.774 122.820 0.102 0.000 1.908 810 A HA -0.160 4.160 4.320 0.001 0.000 0.218 810 A C 2.057 179.721 177.584 0.133 0.000 1.181 810 A CA 1.837 53.960 52.037 0.142 0.000 0.627 810 A CB -0.822 18.287 19.000 0.182 0.000 0.818 810 A HN 0.953 nan 8.150 nan 0.000 0.445 811 N N 0.101 118.862 118.700 0.102 0.000 2.069 811 N HA -0.135 4.605 4.740 0.001 0.000 0.191 811 N C 1.984 177.582 175.510 0.148 0.000 1.031 811 N CA 1.689 54.786 53.050 0.078 0.000 0.852 811 N CB -0.246 38.287 38.487 0.076 0.000 1.018 811 N HN 0.466 nan 8.380 nan 0.000 0.423 812 S N 1.436 117.229 115.700 0.155 0.000 2.368 812 S HA -0.082 4.389 4.470 0.001 0.000 0.224 812 S C 1.998 176.713 174.600 0.192 0.000 1.029 812 S CA 0.536 58.849 58.200 0.187 0.000 0.988 812 S CB -0.365 62.907 63.200 0.121 0.000 0.838 812 S HN 0.184 nan 8.310 nan 0.000 0.462 813 L N 1.106 122.421 121.223 0.153 0.000 2.012 813 L HA -0.112 4.228 4.340 0.001 0.000 0.210 813 L C 1.979 178.935 176.870 0.143 0.000 1.073 813 L CA 1.768 56.695 54.840 0.145 0.000 0.748 813 L CB -1.114 41.036 42.059 0.152 0.000 0.891 813 L HN 0.365 nan 8.230 nan 0.000 0.431 814 Y N -0.701 119.593 120.300 -0.011 0.000 2.069 814 Y HA -0.395 4.155 4.550 0.001 0.000 0.278 814 Y C 2.246 178.077 175.900 -0.115 0.000 1.175 814 Y CA 2.521 60.547 58.100 -0.124 0.000 1.134 814 Y CB -0.576 37.694 38.460 -0.316 0.000 0.965 814 Y HN 0.329 nan 8.280 nan 0.000 0.498 815 Y N -1.031 119.439 120.300 0.283 0.000 2.457 815 Y HA 0.013 4.563 4.550 0.001 0.000 0.292 815 Y C 2.460 178.432 175.900 0.120 0.000 1.125 815 Y CA 0.200 58.407 58.100 0.177 0.000 1.254 815 Y CB -0.405 38.172 38.460 0.195 0.000 1.012 815 Y HN 0.242 nan 8.280 nan 0.000 0.555 816 A N 0.318 123.291 122.820 0.254 0.000 1.933 816 A HA -0.140 4.180 4.320 0.001 0.000 0.218 816 A C 1.997 179.739 177.584 0.264 0.000 1.175 816 A CA 1.290 53.457 52.037 0.216 0.000 0.628 816 A CB -0.870 18.224 19.000 0.156 0.000 0.814 816 A HN 0.496 nan 8.150 nan 0.000 0.444 817 L N -0.068 121.276 121.223 0.202 0.000 2.478 817 L HA -0.037 4.303 4.340 0.001 0.000 0.223 817 L C 0.137 177.210 176.870 0.339 0.000 1.140 817 L CA -0.166 54.846 54.840 0.287 0.000 0.842 817 L CB -0.767 41.367 42.059 0.125 0.000 0.953 817 L HN 0.401 nan 8.230 nan 0.000 0.452 818 N N 0.936 119.745 118.700 0.182 0.000 2.301 818 N HA 0.030 4.771 4.740 0.001 0.000 0.267 818 N C 1.127 176.632 175.510 -0.008 0.000 1.304 818 N CA 0.626 53.732 53.050 0.094 0.000 0.851 818 N CB 0.341 38.888 38.487 0.101 0.000 1.070 818 N HN 0.347 nan 8.380 nan 0.000 0.483 819 G N 1.761 110.535 108.800 -0.043 0.000 2.232 819 G HA2 -0.265 3.695 3.960 0.001 0.000 0.226 819 G HA3 -0.265 3.695 3.960 0.001 0.000 0.226 819 G C -0.105 174.574 174.900 -0.369 0.000 0.996 819 G CA -0.487 44.456 45.100 -0.263 0.000 0.626 819 G HN 0.488 nan 8.290 nan 0.000 0.509 820 F N 1.246 121.219 119.950 0.038 0.000 2.403 820 F HA 0.541 5.068 4.527 0.001 0.000 0.326 820 F C -0.337 175.360 175.800 -0.171 0.000 1.081 820 F CA -1.645 56.328 58.000 -0.043 0.000 1.041 820 F CB 1.293 40.269 39.000 -0.040 0.000 1.234 820 F HN -0.162 nan 8.300 nan 0.000 0.503 821 P HA -0.078 nan 4.420 nan 0.000 0.223 821 P C -0.222 176.905 177.300 -0.287 0.000 1.151 821 P CA 1.164 64.196 63.100 -0.112 0.000 0.787 821 P CB 0.364 32.043 31.700 -0.035 0.000 0.788 822 R N 0.391 120.725 120.500 -0.276 0.000 2.437 822 R HA 0.369 4.709 4.340 0.001 0.000 0.310 822 R C -0.025 176.069 176.300 -0.343 0.000 0.955 822 R CA -0.601 55.312 56.100 -0.310 0.000 0.851 822 R CB 1.317 31.515 30.300 -0.169 0.000 1.161 822 R HN 0.231 nan 8.270 nan 0.000 0.446 823 H N 2.172 121.212 119.070 -0.050 0.000 2.533 823 H HA 0.305 4.861 4.556 0.001 0.000 0.343 823 H C 0.515 175.795 175.328 -0.080 0.000 1.160 823 H CA -0.799 55.194 56.048 -0.091 0.000 1.218 823 H CB 1.593 31.286 29.762 -0.114 0.000 1.566 823 H HN 0.284 nan 8.280 nan 0.000 0.522 824 L N 1.163 122.410 121.223 0.040 0.000 2.473 824 L HA 0.134 4.475 4.340 0.001 0.000 0.268 824 L C 0.994 177.931 176.870 0.111 0.000 1.215 824 L CA 0.133 55.011 54.840 0.064 0.000 0.823 824 L CB 0.479 42.608 42.059 0.116 0.000 1.099 824 L HN 0.380 nan 8.230 nan 0.000 0.483 825 R N 1.597 122.167 120.500 0.117 0.000 2.396 825 R HA 0.393 4.733 4.340 0.001 0.000 0.292 825 R C -1.547 174.847 176.300 0.156 0.000 1.240 825 R CA -0.041 56.136 56.100 0.127 0.000 1.270 825 R CB 0.486 30.847 30.300 0.102 0.000 1.108 825 R HN 0.717 nan 8.270 nan 0.000 0.573 826 T N 0.746 115.397 114.554 0.163 0.000 2.786 826 T HA 0.139 4.489 4.350 0.001 0.000 0.316 826 T C -1.635 173.065 174.700 0.001 0.000 1.503 826 T CA -0.948 61.214 62.100 0.102 0.000 1.019 826 T CB 1.603 70.560 68.868 0.149 0.000 1.415 826 T HN 0.292 nan 8.240 nan 0.000 0.496 827 D N 1.604 121.941 120.400 -0.105 0.000 2.371 827 D HA 0.225 4.865 4.640 0.001 0.000 0.256 827 D C 1.438 177.570 176.300 -0.281 0.000 1.193 827 D CA -0.114 53.785 54.000 -0.169 0.000 0.881 827 D CB 0.916 41.613 40.800 -0.172 0.000 1.143 827 D HN 0.446 nan 8.370 nan 0.000 0.473 828 I N 0.886 121.198 120.570 -0.429 0.000 2.163 828 I HA -0.185 3.986 4.170 0.001 0.000 0.240 828 I C 2.235 178.188 176.117 -0.274 0.000 1.081 828 I CA 0.747 61.697 61.300 -0.584 0.000 1.353 828 I CB -0.336 37.153 38.000 -0.852 0.000 1.054 828 I HN 0.350 nan 8.210 nan 0.000 0.407 829 E N 1.351 121.444 120.200 -0.179 0.000 2.130 829 E HA -0.213 4.137 4.350 0.001 0.000 0.196 829 E C 2.322 178.882 176.600 -0.067 0.000 0.998 829 E CA 1.434 57.786 56.400 -0.079 0.000 0.806 829 E CB -0.238 29.432 29.700 -0.051 0.000 0.738 829 E HN 0.613 nan 8.360 nan 0.000 0.459 830 G N 0.229 108.959 108.800 -0.117 0.000 2.430 830 G HA2 -0.180 3.780 3.960 0.001 0.000 0.216 830 G HA3 -0.180 3.780 3.960 0.001 0.000 0.216 830 G C 1.468 176.294 174.900 -0.124 0.000 1.146 830 G CA 0.261 45.288 45.100 -0.122 0.000 0.793 830 G HN 0.112 nan 8.290 nan 0.000 0.537 831 M N 0.978 120.481 119.600 -0.162 0.000 2.080 831 M HA -0.053 4.428 4.480 0.001 0.000 0.260 831 M C 2.444 178.741 176.300 -0.005 0.000 1.068 831 M CA 1.106 56.351 55.300 -0.092 0.000 1.109 831 M CB -0.891 31.644 32.600 -0.109 0.000 1.342 831 M HN 0.253 nan 8.290 nan 0.000 0.405 832 E N -0.721 119.478 120.200 -0.003 0.000 2.051 832 E HA -0.138 4.212 4.350 0.001 0.000 0.192 832 E C 2.144 178.831 176.600 0.146 0.000 0.991 832 E CA 1.436 57.867 56.400 0.051 0.000 0.799 832 E CB -0.563 29.196 29.700 0.099 0.000 0.748 832 E HN 0.419 nan 8.360 nan 0.000 0.449 833 S N 0.521 116.304 115.700 0.138 0.000 2.382 833 S HA -0.062 4.408 4.470 0.001 0.000 0.228 833 S C 2.078 176.780 174.600 0.170 0.000 1.027 833 S CA 0.572 58.870 58.200 0.165 0.000 0.991 833 S CB -0.097 63.142 63.200 0.065 0.000 0.823 833 S HN 0.152 nan 8.310 nan 0.000 0.469 834 L N 0.515 121.823 121.223 0.140 0.000 2.156 834 L HA -0.004 4.336 4.340 0.001 0.000 0.208 834 L C 2.786 179.872 176.870 0.360 0.000 1.095 834 L CA 1.054 56.045 54.840 0.250 0.000 0.770 834 L CB -0.638 41.582 42.059 0.269 0.000 0.914 834 L HN 0.342 nan 8.230 nan 0.000 0.439 835 S N -1.031 114.791 115.700 0.204 0.000 2.356 835 S HA -0.201 4.270 4.470 0.001 0.000 0.223 835 S C 2.026 176.664 174.600 0.064 0.000 1.032 835 S CA 1.085 59.352 58.200 0.113 0.000 1.005 835 S CB -0.222 62.947 63.200 -0.051 0.000 0.867 835 S HN 0.445 nan 8.310 nan 0.000 0.449 836 H N -1.041 118.104 119.070 0.125 0.000 2.353 836 H HA -0.087 4.469 4.556 0.001 0.000 0.300 836 H C 1.991 177.349 175.328 0.050 0.000 1.090 836 H CA 1.749 57.840 56.048 0.072 0.000 1.327 836 H CB -0.766 29.025 29.762 0.049 0.000 1.383 836 H HN 0.603 nan 8.280 nan 0.000 0.508 837 Y N 0.388 120.728 120.300 0.066 0.000 2.070 837 Y HA -0.295 4.256 4.550 0.001 0.000 0.280 837 Y C 2.217 178.013 175.900 -0.174 0.000 1.148 837 Y CA 1.778 59.807 58.100 -0.118 0.000 1.125 837 Y CB -0.850 37.466 38.460 -0.240 0.000 0.975 837 Y HN 0.066 nan 8.280 nan 0.000 0.492 838 W N -0.122 121.153 121.300 -0.043 0.000 2.402 838 W HA -0.145 4.515 4.660 0.000 0.000 0.286 838 W C 3.074 179.476 176.519 -0.194 0.000 1.221 838 W CA 1.509 58.749 57.345 -0.176 0.000 1.257 838 W CB -0.776 28.679 29.460 -0.008 0.000 1.120 838 W HN 0.124 nan 8.180 nan 0.000 0.551 839 S N -0.075 115.673 115.700 0.081 0.000 2.369 839 S HA -0.265 4.206 4.470 0.001 0.000 0.225 839 S C 1.859 176.416 174.600 -0.071 0.000 1.043 839 S CA 2.520 60.732 58.200 0.020 0.000 1.074 839 S CB -0.841 62.376 63.200 0.028 0.000 0.962 839 S HN 0.220 nan 8.310 nan 0.000 0.433 840 T N 1.422 115.877 114.554 -0.164 0.000 2.746 840 T HA -0.043 4.308 4.350 0.001 0.000 0.267 840 T C 1.849 176.223 174.700 -0.543 0.000 1.039 840 T CA 1.466 63.407 62.100 -0.266 0.000 1.142 840 T CB -0.474 68.246 68.868 -0.246 0.000 0.866 840 T HN 0.270 nan 8.240 nan 0.000 0.444 841 V N 1.470 120.956 119.914 -0.713 0.000 2.407 841 V HA -0.147 3.973 4.120 0.001 0.000 0.248 841 V C 2.569 178.413 176.094 -0.416 0.000 1.055 841 V CA 1.665 63.383 62.300 -0.970 0.000 1.049 841 V CB -0.622 30.684 31.823 -0.861 0.000 0.662 841 V HN 0.372 nan 8.190 nan 0.000 0.455 842 R N 0.091 120.549 120.500 -0.070 0.000 2.117 842 R HA -0.199 4.142 4.340 0.001 0.000 0.243 842 R C 2.253 178.654 176.300 0.167 0.000 1.143 842 R CA 2.171 58.362 56.100 0.151 0.000 0.968 842 R CB -0.528 29.835 30.300 0.105 0.000 0.863 842 R HN 0.527 nan 8.270 nan 0.000 0.444 843 T N 0.266 114.823 114.554 0.006 0.000 2.759 843 T HA -0.191 4.160 4.350 0.001 0.000 0.269 843 T C 1.340 176.158 174.700 0.197 0.000 1.042 843 T CA 1.695 63.846 62.100 0.084 0.000 1.140 843 T CB -0.428 68.486 68.868 0.076 0.000 0.864 843 T HN 0.454 nan 8.240 nan 0.000 0.455 844 Y N -0.581 119.766 120.300 0.077 0.000 2.365 844 Y HA -0.172 4.378 4.550 0.001 0.000 0.287 844 Y C 1.450 177.259 175.900 -0.152 0.000 1.162 844 Y CA 0.419 58.490 58.100 -0.048 0.000 1.260 844 Y CB -0.416 37.920 38.460 -0.207 0.000 0.976 844 Y HN 0.341 nan 8.280 nan 0.000 0.548 845 Y N -1.167 119.306 120.300 0.288 0.000 2.531 845 Y HA 0.026 4.577 4.550 0.001 0.000 0.249 845 Y C 2.159 178.126 175.900 0.112 0.000 1.168 845 Y CA -0.059 58.188 58.100 0.246 0.000 1.226 845 Y CB -0.043 38.599 38.460 0.304 0.000 1.177 845 Y HN 0.071 nan 8.280 nan 0.000 0.527 846 S N -0.357 115.442 115.700 0.165 0.000 2.409 846 S HA -0.311 4.159 4.470 0.001 0.000 0.237 846 S C 1.415 175.989 174.600 -0.043 0.000 1.060 846 S CA 2.003 60.242 58.200 0.066 0.000 1.052 846 S CB -0.378 62.847 63.200 0.042 0.000 0.871 846 S HN 0.464 nan 8.310 nan 0.000 0.465 847 D N 0.638 120.916 120.400 -0.204 0.000 2.309 847 D HA 0.008 4.649 4.640 0.001 0.000 0.212 847 D C 0.809 176.771 176.300 -0.563 0.000 0.968 847 D CA 0.892 54.621 54.000 -0.453 0.000 0.882 847 D CB -0.217 40.146 40.800 -0.729 0.000 0.918 847 D HN 0.602 nan 8.370 nan 0.000 0.503 848 F N 0.583 120.527 119.950 -0.010 0.000 2.678 848 F HA 0.133 4.660 4.527 0.001 0.000 0.305 848 F C 1.376 177.173 175.800 -0.005 0.000 1.090 848 F CA -0.444 57.553 58.000 -0.005 0.000 1.272 848 F CB 0.504 39.526 39.000 0.036 0.000 1.060 848 F HN -0.344 nan 8.300 nan 0.000 0.576 853 D N 1.439 121.791 120.400 -0.079 0.000 2.347 853 D HA 0.172 4.812 4.640 0.001 0.000 0.215 853 D C 0.432 176.690 176.300 -0.069 0.000 0.976 853 D CA 0.449 54.403 54.000 -0.078 0.000 0.884 853 D CB -0.125 40.614 40.800 -0.101 0.000 0.915 853 D HN 0.538 nan 8.370 nan 0.000 0.526 854 I N 1.470 121.990 120.570 -0.084 0.000 2.505 854 I HA 0.018 4.188 4.170 0.001 0.000 0.287 854 I C 1.709 177.824 176.117 -0.003 0.000 1.104 854 I CA 0.216 61.492 61.300 -0.041 0.000 1.387 854 I CB 1.155 39.122 38.000 -0.055 0.000 1.404 854 I HN -0.047 nan 8.210 nan 0.000 0.528 855 K N 3.673 124.083 120.400 0.018 0.000 2.276 855 K HA 0.237 4.557 4.320 0.001 0.000 0.198 855 K C 0.481 177.097 176.600 0.025 0.000 1.052 855 K CA 0.160 56.458 56.287 0.017 0.000 0.984 855 K CB 0.206 32.715 32.500 0.015 0.000 0.836 855 K HN 0.576 nan 8.250 nan 0.000 0.490 856 S N 0.453 116.177 115.700 0.041 0.000 2.651 856 S HA 0.521 4.991 4.470 0.001 0.000 0.279 856 S C -2.978 171.649 174.600 0.046 0.000 1.148 856 S CA -1.626 56.595 58.200 0.036 0.000 0.837 856 S CB 1.639 64.858 63.200 0.031 0.000 1.138 856 S HN -0.051 nan 8.310 nan 0.000 0.478 857 P HA 0.221 nan 4.420 nan 0.000 0.270 857 P C -1.151 176.148 177.300 -0.002 0.000 1.223 857 P CA -0.178 62.929 63.100 0.012 0.000 0.785 857 P CB 0.163 31.863 31.700 0.001 0.000 0.923 858 N N -0.119 118.551 118.700 -0.051 0.000 2.430 858 N HA 0.199 4.939 4.740 0.001 0.000 0.290 858 N C 0.209 175.586 175.510 -0.221 0.000 1.063 858 N CA -0.377 52.592 53.050 -0.134 0.000 0.883 858 N CB 1.305 39.659 38.487 -0.221 0.000 1.465 858 N HN 0.326 nan 8.380 nan 0.000 0.493 859 T N -0.519 113.929 114.554 -0.177 0.000 3.054 859 T HA 0.140 4.491 4.350 0.001 0.000 0.255 859 T C 0.892 175.476 174.700 -0.193 0.000 1.035 859 T CA -0.098 61.907 62.100 -0.157 0.000 0.941 859 T CB 0.225 69.113 68.868 0.034 0.000 1.026 859 T HN 0.442 nan 8.240 nan 0.000 0.533 860 E N 2.095 122.128 120.200 -0.279 0.000 2.204 860 E HA -0.072 4.278 4.350 0.001 0.000 0.195 860 E C 2.193 178.355 176.600 -0.730 0.000 0.990 860 E CA 1.189 57.382 56.400 -0.346 0.000 0.821 860 E CB -0.439 29.120 29.700 -0.236 0.000 0.750 860 E HN 0.820 nan 8.360 nan 0.000 0.477 861 I N -2.137 117.959 120.570 -0.791 0.000 2.335 861 I HA -0.259 3.911 4.170 0.001 0.000 0.251 861 I C 1.916 177.778 176.117 -0.426 0.000 1.129 861 I CA 1.416 62.252 61.300 -0.772 0.000 1.402 861 I CB -0.793 36.889 38.000 -0.531 0.000 1.069 861 I HN -0.065 nan 8.210 nan 0.000 0.424 862 Y N 1.977 122.137 120.300 -0.233 0.000 2.680 862 Y HA -0.097 4.453 4.550 0.001 0.000 0.303 862 Y C 2.461 178.303 175.900 -0.096 0.000 1.166 862 Y CA 0.480 58.511 58.100 -0.115 0.000 1.344 862 Y CB 0.027 38.445 38.460 -0.071 0.000 1.002 862 Y HN 0.539 nan 8.280 nan 0.000 0.537 863 Q N -0.974 118.807 119.800 -0.031 0.000 2.360 863 Q HA -0.049 4.292 4.340 0.001 0.000 0.261 863 Q C 1.366 177.377 176.000 0.018 0.000 0.802 863 Q CA 0.527 56.335 55.803 0.009 0.000 0.983 863 Q CB -0.539 28.216 28.738 0.029 0.000 1.211 863 Q HN 0.704 nan 8.270 nan 0.000 0.523 864 H N 0.644 119.709 119.070 -0.008 0.000 2.553 864 H HA 0.304 4.860 4.556 0.001 0.000 0.276 864 H C -0.354 175.004 175.328 0.051 0.000 0.979 864 H CA 0.779 56.832 56.048 0.008 0.000 1.268 864 H CB 0.328 30.056 29.762 -0.056 0.000 1.450 864 H HN 0.255 nan 8.280 nan 0.000 0.527 865 E N 0.404 120.651 120.200 0.078 0.000 2.957 865 E HA -0.168 4.182 4.350 0.001 0.000 0.287 865 E C -0.644 176.073 176.600 0.196 0.000 0.976 865 E CA 0.367 56.827 56.400 0.099 0.000 0.907 865 E CB -1.672 28.066 29.700 0.064 0.000 1.456 865 E HN 0.548 nan 8.360 nan 0.000 0.421 866 M N 2.165 121.933 119.600 0.280 0.000 2.307 866 M HA 0.126 4.606 4.480 0.001 0.000 0.346 866 M C -1.842 174.517 176.300 0.097 0.000 1.552 866 M CA -1.110 54.241 55.300 0.085 0.000 1.116 866 M CB 0.099 32.649 32.600 -0.083 0.000 1.889 866 M HN -0.117 nan 8.290 nan 0.000 0.460 867 P HA 0.124 nan 4.420 nan 0.000 0.272 867 P C 0.598 177.883 177.300 -0.025 0.000 1.230 867 P CA 0.241 63.357 63.100 0.027 0.000 0.788 867 P CB 0.473 32.196 31.700 0.038 0.000 0.949 868 G N 1.830 110.551 108.800 -0.132 0.000 2.660 868 G HA2 -0.285 3.675 3.960 0.001 0.000 0.338 868 G HA3 -0.285 3.675 3.960 0.001 0.000 0.338 868 G C 0.919 175.740 174.900 -0.132 0.000 1.336 868 G CA 0.492 45.455 45.100 -0.229 0.000 0.990 868 G HN 0.797 nan 8.290 nan 0.000 0.537 869 G N -0.595 108.112 108.800 -0.154 0.000 3.448 869 G HA2 0.361 4.321 3.960 0.001 0.000 0.261 869 G HA3 0.361 4.321 3.960 0.001 0.000 0.261 869 G C 1.165 175.938 174.900 -0.211 0.000 1.173 869 G CA 1.123 46.090 45.100 -0.221 0.000 0.835 869 G HN 0.690 nan 8.290 nan 0.000 0.534 870 Q N 0.092 119.833 119.800 -0.098 0.000 2.297 870 Q HA -0.185 4.156 4.340 0.001 0.000 0.208 870 Q C 1.924 177.890 176.000 -0.057 0.000 0.981 870 Q CA 1.220 56.985 55.803 -0.063 0.000 0.876 870 Q CB -0.093 28.629 28.738 -0.027 0.000 0.921 870 Q HN 0.850 nan 8.270 nan 0.000 0.446 871 Y N -1.014 119.242 120.300 -0.073 0.000 2.571 871 Y HA -0.010 4.541 4.550 0.001 0.000 0.294 871 Y C 2.005 177.911 175.900 0.011 0.000 1.141 871 Y CA 1.051 59.127 58.100 -0.040 0.000 1.308 871 Y CB -0.474 37.993 38.460 0.013 0.000 1.002 871 Y HN 0.098 nan 8.280 nan 0.000 0.551 872 S N -0.190 115.270 115.700 -0.400 0.000 2.412 872 S HA -0.094 4.376 4.470 0.001 0.000 0.223 872 S C 1.652 176.144 174.600 -0.179 0.000 1.048 872 S CA 0.480 58.487 58.200 -0.321 0.000 0.954 872 S CB -0.681 62.282 63.200 -0.394 0.000 0.840 872 S HN 0.453 nan 8.310 nan 0.000 0.503 873 N N 2.264 120.883 118.700 -0.135 0.000 2.060 873 N HA -0.078 4.662 4.740 0.001 0.000 0.195 873 N C 1.561 177.049 175.510 -0.037 0.000 1.028 873 N CA 1.440 54.448 53.050 -0.069 0.000 0.861 873 N CB -0.758 37.706 38.487 -0.038 0.000 1.029 873 N HN 0.296 nan 8.380 nan 0.000 0.428 874 L N 0.717 121.939 121.223 -0.002 0.000 2.141 874 L HA -0.008 4.332 4.340 0.001 0.000 0.209 874 L C 2.480 179.378 176.870 0.047 0.000 1.094 874 L CA 1.005 55.887 54.840 0.070 0.000 0.763 874 L CB -0.702 41.427 42.059 0.117 0.000 0.908 874 L HN 0.096 nan 8.230 nan 0.000 0.437 875 S N -1.155 114.452 115.700 -0.154 0.000 2.383 875 S HA -0.203 4.267 4.470 0.001 0.000 0.227 875 S C 1.966 176.362 174.600 -0.340 0.000 1.026 875 S CA 1.207 59.026 58.200 -0.634 0.000 0.981 875 S CB 0.010 62.754 63.200 -0.760 0.000 0.818 875 S HN 0.521 nan 8.310 nan 0.000 0.472 876 Q N 0.184 119.871 119.800 -0.188 0.000 2.079 876 Q HA -0.095 4.245 4.340 0.001 0.000 0.200 876 Q C 2.365 178.329 176.000 -0.061 0.000 0.974 876 Q CA 1.439 57.174 55.803 -0.114 0.000 0.840 876 Q CB -0.189 28.499 28.738 -0.083 0.000 0.898 876 Q HN 0.603 nan 8.270 nan 0.000 0.430 877 Q N -0.044 119.740 119.800 -0.028 0.000 2.119 877 Q HA -0.105 4.235 4.340 0.001 0.000 0.201 877 Q C 1.953 177.972 176.000 0.031 0.000 0.972 877 Q CA 1.131 56.944 55.803 0.017 0.000 0.847 877 Q CB -0.056 28.709 28.738 0.044 0.000 0.903 877 Q HN 0.391 nan 8.270 nan 0.000 0.433 878 A N 0.594 123.437 122.820 0.038 0.000 1.972 878 A HA -0.195 4.125 4.320 0.001 0.000 0.219 878 A C 1.854 179.454 177.584 0.025 0.000 1.169 878 A CA 1.442 53.523 52.037 0.072 0.000 0.635 878 A CB -0.242 18.863 19.000 0.175 0.000 0.810 878 A HN 0.239 nan 8.150 nan 0.000 0.446 879 K N -0.419 119.965 120.400 -0.027 0.000 2.025 879 K HA -0.066 4.255 4.320 0.001 0.000 0.207 879 K C 2.351 178.946 176.600 -0.008 0.000 1.049 879 K CA 1.372 57.641 56.287 -0.030 0.000 0.933 879 K CB -0.243 32.219 32.500 -0.063 0.000 0.714 879 K HN 0.364 nan 8.250 nan 0.000 0.438 880 S N 0.865 116.564 115.700 -0.002 0.000 2.402 880 S HA -0.104 4.366 4.470 0.001 0.000 0.233 880 S C 1.243 175.855 174.600 0.020 0.000 1.030 880 S CA 1.109 59.316 58.200 0.010 0.000 1.003 880 S CB -0.087 63.124 63.200 0.018 0.000 0.813 880 S HN 0.193 nan 8.310 nan 0.000 0.477 881 L N 0.509 121.748 121.223 0.027 0.000 2.791 881 L HA 0.328 4.669 4.340 0.001 0.000 0.239 881 L C 1.211 178.097 176.870 0.027 0.000 1.203 881 L CA -0.044 54.816 54.840 0.032 0.000 1.002 881 L CB -0.241 41.847 42.059 0.048 0.000 1.295 881 L HN 0.317 nan 8.230 nan 0.000 0.504 882 G N 1.137 109.948 108.800 0.019 0.000 2.356 882 G HA2 -0.289 3.672 3.960 0.001 0.000 0.296 882 G HA3 -0.289 3.672 3.960 0.001 0.000 0.296 882 G C 0.291 175.206 174.900 0.025 0.000 1.022 882 G CA 0.371 45.481 45.100 0.016 0.000 0.961 882 G HN 0.432 nan 8.290 nan 0.000 0.510 883 L N -0.254 120.992 121.223 0.038 0.000 3.218 883 L HA 0.354 4.694 4.340 0.001 0.000 0.279 883 L C 2.223 179.144 176.870 0.085 0.000 1.287 883 L CA 0.203 55.081 54.840 0.063 0.000 1.024 883 L CB 0.333 42.442 42.059 0.083 0.000 1.409 883 L HN 0.264 nan 8.230 nan 0.000 0.580 884 G N -0.159 108.665 108.800 0.040 0.000 2.402 884 G HA2 -0.239 3.721 3.960 0.001 0.000 0.216 884 G HA3 -0.239 3.721 3.960 0.001 0.000 0.216 884 G C 1.214 176.148 174.900 0.056 0.000 1.162 884 G CA 0.419 45.528 45.100 0.015 0.000 0.777 884 G HN 0.460 nan 8.290 nan 0.000 0.539 885 E N -0.101 120.130 120.200 0.051 0.000 2.482 885 E HA 0.067 4.417 4.350 0.001 0.000 0.196 885 E C 1.610 178.255 176.600 0.075 0.000 1.047 885 E CA -0.036 56.397 56.400 0.055 0.000 0.869 885 E CB 0.068 29.788 29.700 0.033 0.000 0.836 885 E HN 0.288 nan 8.360 nan 0.000 0.520 886 R N -0.482 120.077 120.500 0.098 0.000 2.700 886 R HA 0.104 4.444 4.340 0.001 0.000 0.377 886 R C 0.452 176.833 176.300 0.135 0.000 1.130 886 R CA -0.314 55.840 56.100 0.090 0.000 1.055 886 R CB 0.172 30.507 30.300 0.059 0.000 1.387 886 R HN 0.129 nan 8.270 nan 0.000 0.580 887 F N 2.504 122.455 119.950 0.001 0.000 2.325 887 F HA -0.114 4.414 4.527 0.001 0.000 0.299 887 F C 1.933 177.731 175.800 -0.004 0.000 1.090 887 F CA 1.304 59.302 58.000 -0.003 0.000 1.392 887 F CB 0.254 39.253 39.000 -0.001 0.000 1.053 887 F HN 0.128 nan 8.300 nan 0.000 0.521 888 D N -0.356 120.044 120.400 -0.001 0.000 2.384 888 D HA -0.196 4.444 4.640 0.001 0.000 0.222 888 D C 1.182 177.420 176.300 -0.104 0.000 0.976 888 D CA 1.026 54.981 54.000 -0.075 0.000 0.915 888 D CB -0.522 40.279 40.800 0.003 0.000 0.896 888 D HN 0.487 nan 8.370 nan 0.000 0.523 889 E N -0.311 119.832 120.200 -0.096 0.000 2.447 889 E HA 0.061 4.412 4.350 0.001 0.000 0.204 889 E C 1.987 178.523 176.600 -0.107 0.000 0.977 889 E CA -0.084 56.273 56.400 -0.071 0.000 0.950 889 E CB 0.892 30.578 29.700 -0.023 0.000 0.975 889 E HN 0.098 nan 8.360 nan 0.000 0.496 890 V N 1.448 121.241 119.914 -0.202 0.000 2.535 890 V HA -0.129 3.992 4.120 0.001 0.000 0.246 890 V C 1.946 177.846 176.094 -0.324 0.000 1.045 890 V CA 1.300 63.471 62.300 -0.215 0.000 1.058 890 V CB -0.238 31.487 31.823 -0.163 0.000 0.689 890 V HN 0.111 nan 8.190 nan 0.000 0.461 891 K N 0.382 120.449 120.400 -0.555 0.000 2.097 891 K HA -0.212 4.109 4.320 0.001 0.000 0.205 891 K C 1.914 178.427 176.600 -0.144 0.000 1.050 891 K CA 1.808 57.823 56.287 -0.453 0.000 0.938 891 K CB -0.238 31.974 32.500 -0.481 0.000 0.718 891 K HN 0.436 nan 8.250 nan 0.000 0.442 892 D N 0.687 121.022 120.400 -0.108 0.000 2.144 892 D HA -0.151 4.490 4.640 0.001 0.000 0.200 892 D C 1.863 178.164 176.300 0.001 0.000 0.978 892 D CA 0.927 54.913 54.000 -0.023 0.000 0.833 892 D CB 0.121 40.907 40.800 -0.022 0.000 0.961 892 D HN -0.058 nan 8.370 nan 0.000 0.470 893 M N -0.887 118.702 119.600 -0.019 0.000 2.175 893 M HA -0.066 4.414 4.480 0.001 0.000 0.264 893 M C 1.672 177.962 176.300 -0.018 0.000 1.063 893 M CA 1.229 56.523 55.300 -0.010 0.000 1.119 893 M CB -0.781 31.813 32.600 -0.010 0.000 1.377 893 M HN 0.175 nan 8.290 nan 0.000 0.415 894 Y N 0.263 120.479 120.300 -0.140 0.000 2.128 894 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 894 Y C 2.614 178.416 175.900 -0.163 0.000 1.154 894 Y CA 2.445 60.447 58.100 -0.164 0.000 1.149 894 Y CB -0.324 38.019 38.460 -0.195 0.000 0.976 894 Y HN 0.235 nan 8.280 nan 0.000 0.505 895 R N 0.057 120.590 120.500 0.055 0.000 2.127 895 R HA -0.183 4.158 4.340 0.001 0.000 0.238 895 R C 2.271 178.500 176.300 -0.119 0.000 1.134 895 R CA 1.714 57.795 56.100 -0.032 0.000 0.975 895 R CB -0.084 30.265 30.300 0.083 0.000 0.865 895 R HN 0.373 nan 8.270 nan 0.000 0.447 896 R N -0.709 119.780 120.500 -0.019 0.000 2.080 896 R HA 0.004 4.345 4.340 0.001 0.000 0.222 896 R C 2.249 178.511 176.300 -0.064 0.000 1.107 896 R CA 1.026 57.167 56.100 0.069 0.000 0.980 896 R CB -0.147 30.196 30.300 0.072 0.000 0.879 896 R HN 0.067 nan 8.270 nan 0.000 0.439 897 V N 2.506 122.281 119.914 -0.232 0.000 2.469 897 V HA -0.300 3.820 4.120 0.001 0.000 0.251 897 V C 2.244 177.990 176.094 -0.580 0.000 1.064 897 V CA 1.811 63.833 62.300 -0.464 0.000 1.066 897 V CB -0.848 30.616 31.823 -0.598 0.000 0.667 897 V HN 0.485 nan 8.190 nan 0.000 0.461 898 N N 0.127 118.509 118.700 -0.530 0.000 2.069 898 N HA -0.216 4.525 4.740 0.001 0.000 0.191 898 N C 1.931 177.263 175.510 -0.296 0.000 1.031 898 N CA 1.912 54.665 53.050 -0.495 0.000 0.852 898 N CB -0.193 37.918 38.487 -0.626 0.000 1.018 898 N HN 0.522 nan 8.380 nan 0.000 0.423 899 F N 0.421 120.337 119.950 -0.056 0.000 2.259 899 F HA -0.032 4.495 4.527 0.001 0.000 0.298 899 F C 2.177 178.013 175.800 0.059 0.000 1.088 899 F CA -0.028 57.977 58.000 0.007 0.000 1.358 899 F CB -0.096 38.905 39.000 0.001 0.000 1.040 899 F HN 0.079 nan 8.300 nan 0.000 0.505 900 L N -1.000 120.355 121.223 0.220 0.000 2.291 900 L HA -0.063 4.277 4.340 0.001 0.000 0.214 900 L C 1.205 178.387 176.870 0.520 0.000 1.120 900 L CA 1.533 56.538 54.840 0.275 0.000 0.799 900 L CB -0.667 41.508 42.059 0.193 0.000 0.925 900 L HN -0.019 nan 8.230 nan 0.000 0.446 901 F N -0.021 120.006 119.950 0.129 0.000 2.693 901 F HA 0.437 4.965 4.527 0.000 0.000 0.303 901 F C 1.807 177.655 175.800 0.079 0.000 1.097 901 F CA -0.206 57.893 58.000 0.164 0.000 1.330 901 F CB -0.592 38.461 39.000 0.088 0.000 1.067 901 F HN 0.154 nan 8.300 nan 0.000 0.565 902 G N 0.747 109.694 108.800 0.245 0.000 2.130 902 G HA2 -0.244 3.716 3.960 0.001 0.000 0.216 902 G HA3 -0.244 3.716 3.960 0.001 0.000 0.216 902 G C -0.208 174.742 174.900 0.084 0.000 0.999 902 G CA -0.136 45.035 45.100 0.117 0.000 0.686 902 G HN 0.327 nan 8.290 nan 0.000 0.515 903 D N -0.666 119.808 120.400 0.124 0.000 4.733 903 D HA -0.134 4.507 4.640 0.001 0.000 0.239 903 D C 0.505 176.930 176.300 0.209 0.000 1.075 903 D CA 1.802 55.880 54.000 0.130 0.000 1.258 903 D CB -0.986 39.936 40.800 0.203 0.000 0.761 903 D HN 1.688 nan 8.370 nan 0.000 0.378 904 I N -1.377 119.253 120.570 0.099 0.000 3.108 904 I HA 0.729 4.899 4.170 0.001 0.000 0.312 904 I C 0.016 176.087 176.117 -0.076 0.000 1.095 904 I CA -1.339 60.010 61.300 0.081 0.000 1.000 904 I CB 1.825 39.843 38.000 0.029 0.000 1.229 904 I HN -0.007 nan 8.210 nan 0.000 0.454 905 V N 2.592 122.472 119.914 -0.058 0.000 2.555 905 V HA 0.213 4.333 4.120 0.001 0.000 0.286 905 V C 0.070 176.146 176.094 -0.030 0.000 1.044 905 V CA -0.222 62.023 62.300 -0.092 0.000 1.026 905 V CB 0.668 32.499 31.823 0.013 0.000 0.981 905 V HN 0.640 nan 8.190 nan 0.000 0.480 906 K N 4.476 124.862 120.400 -0.023 0.000 2.473 906 K HA 0.613 4.933 4.320 0.001 0.000 0.246 906 K C -0.582 176.058 176.600 0.068 0.000 1.011 906 K CA -0.315 55.984 56.287 0.020 0.000 0.984 906 K CB 1.606 34.128 32.500 0.036 0.000 1.250 906 K HN 0.498 nan 8.250 nan 0.000 0.454 907 V N 0.239 120.210 119.914 0.095 0.000 6.588 907 V HA 0.446 4.566 4.120 0.001 0.000 0.141 907 V C 0.495 176.673 176.094 0.140 0.000 1.365 907 V CA -0.764 61.608 62.300 0.121 0.000 1.050 907 V CB -0.299 31.631 31.823 0.178 0.000 2.186 907 V HN 0.670 nan 8.190 nan 0.000 0.316 908 A N 1.337 124.291 122.820 0.223 0.000 2.504 908 A HA 0.261 4.581 4.320 0.001 0.000 0.242 908 A C -0.992 176.676 177.584 0.141 0.000 1.100 908 A CA 0.217 52.380 52.037 0.210 0.000 0.786 908 A CB -1.283 17.898 19.000 0.300 0.000 1.050 908 A HN 0.634 nan 8.150 nan 0.000 0.512 909 P HA -0.349 nan 4.420 nan 0.000 0.228 909 P C 1.546 178.876 177.300 0.049 0.000 1.156 909 P CA 2.502 65.655 63.100 0.088 0.000 0.862 909 P CB -0.492 31.260 31.700 0.088 0.000 0.756 910 S N -1.129 114.591 115.700 0.033 0.000 2.399 910 S HA -0.158 4.312 4.470 0.001 0.000 0.231 910 S C 2.054 176.605 174.600 -0.082 0.000 1.022 910 S CA 1.599 59.754 58.200 -0.075 0.000 0.983 910 S CB -1.336 61.839 63.200 -0.041 0.000 0.803 910 S HN 0.408 nan 8.310 nan 0.000 0.480 911 S N 2.308 118.018 115.700 0.018 0.000 2.355 911 S HA -0.048 4.423 4.470 0.001 0.000 0.222 911 S C 1.901 176.565 174.600 0.107 0.000 1.031 911 S CA 1.024 59.273 58.200 0.083 0.000 0.993 911 S CB -0.661 62.620 63.200 0.134 0.000 0.859 911 S HN 0.575 nan 8.310 nan 0.000 0.453 912 K N 1.011 121.463 120.400 0.086 0.000 2.074 912 K HA -0.098 4.222 4.320 0.001 0.000 0.209 912 K C 2.010 178.657 176.600 0.078 0.000 1.048 912 K CA 1.714 58.057 56.287 0.094 0.000 0.926 912 K CB -0.507 32.045 32.500 0.087 0.000 0.713 912 K HN 0.350 nan 8.250 nan 0.000 0.444 913 V N 0.752 120.681 119.914 0.027 0.000 2.343 913 V HA -0.240 3.880 4.120 0.001 0.000 0.247 913 V C 2.349 178.460 176.094 0.028 0.000 1.051 913 V CA 1.612 63.930 62.300 0.030 0.000 1.036 913 V CB -0.277 31.484 31.823 -0.104 0.000 0.654 913 V HN 0.151 nan 8.190 nan 0.000 0.451 914 V N 0.943 120.793 119.914 -0.107 0.000 2.307 914 V HA -0.141 3.980 4.120 0.001 0.000 0.245 914 V C 2.666 178.679 176.094 -0.136 0.000 1.045 914 V CA 2.101 64.195 62.300 -0.345 0.000 1.024 914 V CB -1.563 29.827 31.823 -0.722 0.000 0.651 914 V HN 0.581 nan 8.190 nan 0.000 0.449 915 G N 0.001 108.913 108.800 0.187 0.000 2.514 915 G HA2 -0.321 3.640 3.960 0.001 0.000 0.217 915 G HA3 -0.321 3.640 3.960 0.001 0.000 0.217 915 G C 1.209 176.212 174.900 0.171 0.000 1.198 915 G CA 1.320 46.605 45.100 0.307 0.000 0.780 915 G HN 0.488 nan 8.290 nan 0.000 0.565 916 D N 0.092 120.573 120.400 0.135 0.000 2.126 916 D HA -0.126 4.515 4.640 0.001 0.000 0.190 916 D C 2.551 178.948 176.300 0.161 0.000 1.001 916 D CA 0.958 55.038 54.000 0.134 0.000 0.841 916 D CB -0.229 40.641 40.800 0.116 0.000 0.949 916 D HN 0.119 nan 8.370 nan 0.000 0.446 917 M N 0.045 119.730 119.600 0.141 0.000 2.175 917 M HA -0.051 4.429 4.480 0.001 0.000 0.264 917 M C 2.236 178.632 176.300 0.161 0.000 1.063 917 M CA 0.893 56.305 55.300 0.187 0.000 1.119 917 M CB -0.794 31.896 32.600 0.150 0.000 1.377 917 M HN 0.010 nan 8.290 nan 0.000 0.415 918 A N 0.092 122.954 122.820 0.070 0.000 1.902 918 A HA -0.145 4.175 4.320 0.001 0.000 0.217 918 A C 2.054 179.701 177.584 0.104 0.000 1.181 918 A CA 1.266 53.343 52.037 0.068 0.000 0.623 918 A CB -0.685 18.379 19.000 0.107 0.000 0.818 918 A HN 0.369 nan 8.150 nan 0.000 0.443 919 L N -1.969 119.339 121.223 0.140 0.000 2.046 919 L HA -0.140 4.200 4.340 0.001 0.000 0.208 919 L C 2.379 179.337 176.870 0.147 0.000 1.077 919 L CA 1.896 56.818 54.840 0.137 0.000 0.747 919 L CB -1.207 40.940 42.059 0.147 0.000 0.896 919 L HN 0.583 nan 8.230 nan 0.000 0.432 920 Y N -0.435 119.897 120.300 0.053 0.000 2.145 920 Y HA -0.263 4.287 4.550 0.000 0.000 0.286 920 Y C 2.549 178.462 175.900 0.022 0.000 1.145 920 Y CA 1.707 59.831 58.100 0.041 0.000 1.148 920 Y CB -0.158 38.342 38.460 0.067 0.000 0.981 920 Y HN 0.091 nan 8.280 nan 0.000 0.507 921 M N -1.456 118.176 119.600 0.054 0.000 2.229 921 M HA -0.175 4.305 4.480 0.001 0.000 0.264 921 M C 1.918 178.174 176.300 -0.074 0.000 1.063 921 M CA 1.205 56.481 55.300 -0.040 0.000 1.114 921 M CB -0.402 32.229 32.600 0.052 0.000 1.387 921 M HN 0.178 nan 8.290 nan 0.000 0.420 922 V N 0.012 119.906 119.914 -0.033 0.000 2.346 922 V HA -0.225 3.895 4.120 0.001 0.000 0.244 922 V C 2.299 178.361 176.094 -0.054 0.000 1.037 922 V CA 1.605 63.887 62.300 -0.029 0.000 1.029 922 V CB -0.742 31.083 31.823 0.003 0.000 0.663 922 V HN 0.516 nan 8.190 nan 0.000 0.454 923 Q N 0.195 119.958 119.800 -0.062 0.000 2.170 923 Q HA -0.169 4.172 4.340 0.001 0.000 0.203 923 Q C 1.254 177.171 176.000 -0.138 0.000 0.976 923 Q CA 1.304 57.063 55.803 -0.073 0.000 0.858 923 Q CB 0.033 28.746 28.738 -0.042 0.000 0.907 923 Q HN 0.629 nan 8.270 nan 0.000 0.433 924 N N 0.845 119.400 118.700 -0.242 0.000 2.234 924 N HA 0.023 4.763 4.740 0.001 0.000 0.227 924 N C -1.026 174.369 175.510 -0.192 0.000 1.151 924 N CA 0.091 52.977 53.050 -0.272 0.000 0.865 924 N CB 0.724 38.911 38.487 -0.501 0.000 1.066 924 N HN 0.090 nan 8.380 nan 0.000 0.515 925 D N 1.379 121.701 120.400 -0.131 0.000 2.890 925 D HA -0.162 4.479 4.640 0.001 0.000 0.226 925 D C -0.794 175.460 176.300 -0.076 0.000 1.207 925 D CA 0.729 54.681 54.000 -0.081 0.000 0.764 925 D CB -0.539 40.225 40.800 -0.059 0.000 0.948 925 D HN 0.140 nan 8.370 nan 0.000 0.404 926 L N 0.980 122.159 121.223 -0.074 0.000 2.325 926 L HA 0.502 4.842 4.340 0.001 0.000 0.278 926 L C 0.894 177.763 176.870 -0.003 0.000 1.023 926 L CA -0.350 54.466 54.840 -0.040 0.000 0.811 926 L CB 1.579 43.617 42.059 -0.035 0.000 1.249 926 L HN 0.051 nan 8.230 nan 0.000 0.431 927 D N 0.009 120.416 120.400 0.011 0.000 2.466 927 D HA 0.225 4.865 4.640 0.001 0.000 0.262 927 D C 0.665 176.994 176.300 0.048 0.000 1.177 927 D CA -0.204 53.810 54.000 0.024 0.000 1.035 927 D CB 1.325 42.136 40.800 0.018 0.000 1.105 927 D HN 0.512 nan 8.370 nan 0.000 0.551 928 E N -0.538 119.692 120.200 0.051 0.000 2.285 928 E HA -0.073 4.277 4.350 0.001 0.000 0.194 928 E C 1.167 177.805 176.600 0.064 0.000 0.997 928 E CA 0.638 57.081 56.400 0.071 0.000 0.845 928 E CB 0.137 29.879 29.700 0.069 0.000 0.782 928 E HN 0.272 nan 8.360 nan 0.000 0.491 929 Q N -0.710 119.118 119.800 0.045 0.000 2.339 929 Q HA 0.129 4.469 4.340 0.001 0.000 0.205 929 Q C 1.988 178.009 176.000 0.036 0.000 0.925 929 Q CA 0.676 56.501 55.803 0.037 0.000 0.898 929 Q CB 0.077 28.830 28.738 0.026 0.000 1.013 929 Q HN 0.144 nan 8.270 nan 0.000 0.504 930 S N -0.878 114.843 115.700 0.034 0.000 2.368 930 S HA -0.114 4.356 4.470 0.001 0.000 0.224 930 S C 1.848 176.473 174.600 0.042 0.000 1.029 930 S CA 1.310 59.526 58.200 0.027 0.000 0.988 930 S CB -0.399 62.807 63.200 0.010 0.000 0.838 930 S HN 0.398 nan 8.310 nan 0.000 0.462 931 V N 2.042 122.003 119.914 0.078 0.000 2.332 931 V HA -0.150 3.970 4.120 0.001 0.000 0.248 931 V C 2.282 178.448 176.094 0.121 0.000 1.055 931 V CA 1.931 64.317 62.300 0.144 0.000 1.038 931 V CB -1.470 30.495 31.823 0.236 0.000 0.651 931 V HN 0.747 nan 8.190 nan 0.000 0.450 932 I N -0.939 119.670 120.570 0.066 0.000 2.500 932 I HA -0.039 4.131 4.170 0.001 0.000 0.252 932 I C 2.329 178.453 176.117 0.012 0.000 1.142 932 I CA 1.767 63.079 61.300 0.020 0.000 1.451 932 I CB -1.075 36.933 38.000 0.014 0.000 1.093 932 I HN 0.174 nan 8.210 nan 0.000 0.430 933 T N 1.788 116.358 114.554 0.027 0.000 2.701 933 T HA -0.104 4.247 4.350 0.001 0.000 0.263 933 T C 0.852 175.576 174.700 0.040 0.000 1.040 933 T CA 1.781 63.900 62.100 0.031 0.000 1.147 933 T CB -0.379 68.506 68.868 0.027 0.000 0.865 933 T HN 0.638 nan 8.240 nan 0.000 0.426 934 D N 0.547 120.966 120.400 0.032 0.000 3.068 934 D HA 0.267 4.908 4.640 0.001 0.000 0.327 934 D C 0.951 177.261 176.300 0.017 0.000 1.361 934 D CA -0.248 53.776 54.000 0.039 0.000 0.877 934 D CB 0.137 40.952 40.800 0.025 0.000 1.088 934 D HN 0.359 nan 8.370 nan 0.000 0.489 935 G N -0.337 108.448 108.800 -0.025 0.000 2.920 935 G HA2 -0.084 3.877 3.960 0.001 0.000 0.208 935 G HA3 -0.084 3.877 3.960 0.001 0.000 0.208 935 G C 0.616 175.445 174.900 -0.120 0.000 1.159 935 G CA 0.142 45.218 45.100 -0.040 0.000 0.784 935 G HN 0.271 nan 8.290 nan 0.000 0.535 936 Y N 0.620 120.972 120.300 0.087 0.000 2.396 936 Y HA 0.100 4.651 4.550 0.000 0.000 0.292 936 Y C 2.593 178.513 175.900 0.033 0.000 1.128 936 Y CA 0.927 59.068 58.100 0.069 0.000 1.194 936 Y CB 0.353 38.837 38.460 0.041 0.000 1.124 936 Y HN 0.167 nan 8.280 nan 0.000 0.543 937 K N 0.651 121.142 120.400 0.150 0.000 2.525 937 K HA 0.043 4.364 4.320 0.001 0.000 0.192 937 K C 1.144 177.747 176.600 0.005 0.000 1.029 937 K CA 0.627 56.956 56.287 0.070 0.000 1.029 937 K CB -0.203 32.328 32.500 0.051 0.000 0.814 937 K HN 0.373 nan 8.250 nan 0.000 0.503 938 L N 0.979 122.167 121.223 -0.057 0.000 2.095 938 L HA -0.058 4.282 4.340 0.001 0.000 0.204 938 L C 0.331 177.113 176.870 -0.146 0.000 1.080 938 L CA 0.567 55.298 54.840 -0.181 0.000 0.759 938 L CB -0.572 41.197 42.059 -0.484 0.000 0.914 938 L HN 0.456 nan 8.230 nan 0.000 0.439 939 D N 0.360 120.685 120.400 -0.126 0.000 4.044 939 D HA -0.202 4.438 4.640 0.001 0.000 0.242 939 D C -0.560 175.648 176.300 -0.154 0.000 1.076 939 D CA 0.278 54.253 54.000 -0.041 0.000 1.171 939 D CB -0.715 40.093 40.800 0.013 0.000 0.866 939 D HN -0.095 nan 8.370 nan 0.000 0.413 940 F N 2.029 121.900 119.950 -0.132 0.000 2.444 940 F HA 0.341 4.869 4.527 0.001 0.000 0.331 940 F C -0.968 174.633 175.800 -0.331 0.000 1.167 940 F CA -1.221 56.564 58.000 -0.359 0.000 1.262 940 F CB -0.082 38.772 39.000 -0.243 0.000 1.196 940 F HN 0.118 nan 8.300 nan 0.000 0.583 941 P HA -0.046 nan 4.420 nan 0.000 0.265 941 P C 0.638 177.947 177.300 0.014 0.000 1.187 941 P CA 0.238 63.273 63.100 -0.108 0.000 0.766 941 P CB 0.520 32.164 31.700 -0.093 0.000 0.820 942 E N 1.668 121.885 120.200 0.030 0.000 2.095 942 E HA -0.266 4.085 4.350 0.001 0.000 0.212 942 E C 1.887 178.526 176.600 0.066 0.000 1.044 942 E CA 2.518 58.945 56.400 0.046 0.000 0.857 942 E CB -0.715 29.014 29.700 0.048 0.000 0.764 942 E HN 0.633 nan 8.360 nan 0.000 0.462 943 S N 0.507 116.257 115.700 0.083 0.000 2.368 943 S HA -0.123 4.347 4.470 0.001 0.000 0.225 943 S C 2.233 176.935 174.600 0.171 0.000 1.030 943 S CA 1.475 59.743 58.200 0.113 0.000 0.999 943 S CB -0.606 62.659 63.200 0.109 0.000 0.844 943 S HN 0.157 nan 8.310 nan 0.000 0.459 944 V N 2.394 122.422 119.914 0.189 0.000 2.548 944 V HA -0.062 4.058 4.120 0.001 0.000 0.249 944 V C 2.547 178.788 176.094 0.244 0.000 1.055 944 V CA 1.532 64.011 62.300 0.299 0.000 1.065 944 V CB -0.224 31.787 31.823 0.313 0.000 0.681 944 V HN 0.622 nan 8.190 nan 0.000 0.462 945 V N -1.586 118.384 119.914 0.093 0.000 2.548 945 V HA -0.111 4.009 4.120 0.001 0.000 0.249 945 V C 2.434 178.535 176.094 0.013 0.000 1.055 945 V CA 2.473 64.777 62.300 0.006 0.000 1.065 945 V CB -0.793 31.022 31.823 -0.014 0.000 0.681 945 V HN 0.533 nan 8.190 nan 0.000 0.462 946 S N 0.000 115.732 115.700 0.052 0.000 2.371 946 S HA -0.152 4.318 4.470 0.001 0.000 0.224 946 S C 1.864 176.491 174.600 0.046 0.000 1.029 946 S CA 1.516 59.732 58.200 0.027 0.000 0.978 946 S CB -0.714 62.512 63.200 0.044 0.000 0.833 946 S HN 0.772 nan 8.310 nan 0.000 0.466 947 F N 0.692 120.630 119.950 -0.021 0.000 2.134 947 F HA -0.022 4.505 4.527 0.001 0.000 0.299 947 F C 1.532 177.232 175.800 -0.167 0.000 1.097 947 F CA 1.566 59.528 58.000 -0.062 0.000 1.264 947 F CB -0.260 38.705 39.000 -0.058 0.000 1.001 947 F HN 0.275 nan 8.300 nan 0.000 0.479 948 F N 0.673 120.375 119.950 -0.414 0.000 2.558 948 F HA 0.059 4.587 4.527 0.001 0.000 0.298 948 F C 1.985 177.270 175.800 -0.859 0.000 1.119 948 F CA 0.811 58.306 58.000 -0.841 0.000 1.451 948 F CB -0.318 38.306 39.000 -0.627 0.000 1.091 948 F HN -0.184 nan 8.300 nan 0.000 0.563 949 K N -0.108 120.074 120.400 -0.363 0.000 2.525 949 K HA 0.111 4.431 4.320 0.001 0.000 0.192 949 K C 1.381 177.780 176.600 -0.335 0.000 1.029 949 K CA 0.654 56.742 56.287 -0.332 0.000 1.029 949 K CB -0.243 32.132 32.500 -0.209 0.000 0.814 949 K HN 0.311 nan 8.250 nan 0.000 0.503 950 G N 1.904 110.488 108.800 -0.361 0.000 2.147 950 G HA2 -0.282 3.679 3.960 0.001 0.000 0.244 950 G HA3 -0.282 3.679 3.960 0.001 0.000 0.244 950 G C 0.209 175.062 174.900 -0.079 0.000 1.005 950 G CA 0.294 45.284 45.100 -0.183 0.000 0.713 950 G HN 0.468 nan 8.290 nan 0.000 0.515 951 E N -1.108 119.046 120.200 -0.078 0.000 2.512 951 E HA 0.227 4.578 4.350 0.001 0.000 0.195 951 E C 1.889 178.499 176.600 0.016 0.000 1.083 951 E CA 0.327 56.700 56.400 -0.044 0.000 0.873 951 E CB 0.113 29.770 29.700 -0.070 0.000 0.897 951 E HN 0.629 nan 8.360 nan 0.000 0.514 952 I N -1.172 119.443 120.570 0.075 0.000 4.124 952 I HA 0.226 4.396 4.170 0.001 0.000 0.311 952 I C 0.821 177.040 176.117 0.169 0.000 1.259 952 I CA 0.330 61.707 61.300 0.129 0.000 1.315 952 I CB 1.476 39.606 38.000 0.215 0.000 1.223 952 I HN 0.083 nan 8.210 nan 0.000 0.441 953 G N -0.185 108.705 108.800 0.150 0.000 2.362 953 G HA2 0.160 4.121 3.960 0.001 0.000 0.288 953 G HA3 0.160 4.121 3.960 0.001 0.000 0.288 953 G C -1.729 173.046 174.900 -0.208 0.000 1.305 953 G CA -0.795 44.426 45.100 0.201 0.000 0.910 953 G HN -0.190 nan 8.290 nan 0.000 0.518 954 Q N 1.244 120.572 119.800 -0.787 0.000 2.325 954 Q HA 0.462 4.803 4.340 0.001 0.000 0.262 954 Q C -2.177 173.336 176.000 -0.810 0.000 0.968 954 Q CA -1.704 53.470 55.803 -1.047 0.000 0.877 954 Q CB 2.075 29.859 28.738 -1.590 0.000 1.253 954 Q HN 0.491 nan 8.270 nan 0.000 0.448 955 P HA 0.031 nan 4.420 nan 0.000 0.272 955 P C 0.865 177.941 177.300 -0.373 0.000 1.240 955 P CA -0.257 62.590 63.100 -0.422 0.000 0.791 955 P CB 1.057 32.478 31.700 -0.466 0.000 0.978 956 V N 2.004 121.809 119.914 -0.181 0.000 2.231 956 V HA -0.304 3.816 4.120 0.001 0.000 0.248 956 V C 1.951 177.926 176.094 -0.199 0.000 1.054 956 V CA 2.661 64.877 62.300 -0.141 0.000 1.015 956 V CB -1.553 30.188 31.823 -0.136 0.000 0.638 956 V HN 0.554 nan 8.190 nan 0.000 0.444 957 N N -0.357 118.212 118.700 -0.218 0.000 2.494 957 N HA 0.317 5.057 4.740 0.001 0.000 0.182 957 N C 0.757 176.138 175.510 -0.215 0.000 1.076 957 N CA 0.874 53.810 53.050 -0.189 0.000 0.908 957 N CB 0.337 38.733 38.487 -0.151 0.000 0.967 957 N HN 0.682 nan 8.380 nan 0.000 0.449 958 G N -0.405 108.185 108.800 -0.350 0.000 2.627 958 G HA2 -0.216 3.745 3.960 0.001 0.000 0.214 958 G HA3 -0.216 3.745 3.960 0.001 0.000 0.214 958 G C -0.862 173.727 174.900 -0.519 0.000 1.331 958 G CA -0.819 44.015 45.100 -0.443 0.000 0.891 958 G HN 0.093 nan 8.290 nan 0.000 0.539 959 F N 0.938 120.771 119.950 -0.195 0.000 2.432 959 F HA 0.474 5.001 4.527 0.001 0.000 0.329 959 F C 1.071 176.856 175.800 -0.025 0.000 1.076 959 F CA -0.426 57.483 58.000 -0.151 0.000 1.018 959 F CB 1.571 40.460 39.000 -0.185 0.000 1.201 959 F HN 0.558 nan 8.300 nan 0.000 0.489 960 N N 2.642 121.506 118.700 0.274 0.000 2.405 960 N HA 0.032 4.772 4.740 0.001 0.000 0.260 960 N C 0.623 176.212 175.510 0.131 0.000 1.152 960 N CA -0.178 52.975 53.050 0.171 0.000 0.948 960 N CB 0.643 39.226 38.487 0.161 0.000 1.111 960 N HN 0.676 nan 8.380 nan 0.000 0.485 961 K N 2.608 123.051 120.400 0.072 0.000 2.009 961 K HA -0.168 4.152 4.320 0.001 0.000 0.210 961 K C 0.662 177.248 176.600 -0.023 0.000 1.049 961 K CA 1.505 57.806 56.287 0.023 0.000 0.929 961 K CB 0.076 32.584 32.500 0.014 0.000 0.714 961 K HN 0.564 nan 8.250 nan 0.000 0.440 962 D N 0.782 121.171 120.400 -0.018 0.000 2.224 962 D HA -0.106 4.534 4.640 0.001 0.000 0.205 962 D C 1.807 178.047 176.300 -0.100 0.000 0.965 962 D CA 0.585 54.560 54.000 -0.042 0.000 0.852 962 D CB -0.083 40.708 40.800 -0.015 0.000 0.947 962 D HN 0.034 nan 8.370 nan 0.000 0.494 963 L N 0.720 121.880 121.223 -0.105 0.000 2.072 963 L HA -0.091 4.249 4.340 0.001 0.000 0.205 963 L C 2.111 178.699 176.870 -0.470 0.000 1.079 963 L CA 1.655 56.361 54.840 -0.224 0.000 0.752 963 L CB -0.521 41.462 42.059 -0.126 0.000 0.906 963 L HN -0.079 nan 8.230 nan 0.000 0.436 964 Q N -0.736 118.847 119.800 -0.363 0.000 2.224 964 Q HA -0.162 4.178 4.340 0.001 0.000 0.203 964 Q C 2.076 177.862 176.000 -0.358 0.000 0.970 964 Q CA 1.330 56.872 55.803 -0.436 0.000 0.865 964 Q CB -0.113 28.544 28.738 -0.136 0.000 0.922 964 Q HN 0.675 nan 8.270 nan 0.000 0.445 965 A N 0.187 122.863 122.820 -0.239 0.000 1.933 965 A HA -0.140 4.180 4.320 0.001 0.000 0.218 965 A C 2.085 179.550 177.584 -0.199 0.000 1.175 965 A CA 1.667 53.612 52.037 -0.154 0.000 0.628 965 A CB -0.682 18.280 19.000 -0.064 0.000 0.814 965 A HN 0.407 nan 8.150 nan 0.000 0.444 966 V N -2.521 117.177 119.914 -0.361 0.000 2.649 966 V HA -0.025 4.095 4.120 0.001 0.000 0.248 966 V C 2.173 178.031 176.094 -0.392 0.000 1.054 966 V CA 1.376 63.353 62.300 -0.538 0.000 1.073 966 V CB -0.806 30.689 31.823 -0.546 0.000 0.699 966 V HN 0.430 nan 8.190 nan 0.000 0.463 967 I N 0.117 120.290 120.570 -0.662 0.000 2.315 967 I HA -0.140 4.031 4.170 0.001 0.000 0.248 967 I C 2.476 178.369 176.117 -0.372 0.000 1.117 967 I CA 1.647 62.412 61.300 -0.893 0.000 1.404 967 I CB -0.187 37.042 38.000 -1.285 0.000 1.071 967 I HN 0.259 nan 8.210 nan 0.000 0.419 968 L N 0.089 121.139 121.223 -0.288 0.000 2.209 968 L HA -0.005 4.335 4.340 0.001 0.000 0.207 968 L C 0.683 177.527 176.870 -0.044 0.000 1.094 968 L CA 0.380 55.127 54.840 -0.155 0.000 0.790 968 L CB -0.234 41.724 42.059 -0.167 0.000 0.932 968 L HN 0.181 nan 8.230 nan 0.000 0.447 969 K N 0.321 120.734 120.400 0.021 0.000 3.096 969 K HA -0.208 4.113 4.320 0.001 0.000 0.266 969 K C 0.753 177.404 176.600 0.086 0.000 1.043 969 K CA 0.338 56.723 56.287 0.164 0.000 0.758 969 K CB -2.224 30.381 32.500 0.176 0.000 1.260 969 K HN 0.599 nan 8.250 nan 0.000 0.481 970 G N 0.406 109.233 108.800 0.045 0.000 2.182 970 G HA2 -0.347 3.613 3.960 0.001 0.000 0.248 970 G HA3 -0.347 3.613 3.960 0.001 0.000 0.248 970 G C -0.190 174.696 174.900 -0.023 0.000 1.042 970 G CA 0.583 45.687 45.100 0.007 0.000 0.775 970 G HN 0.490 nan 8.290 nan 0.000 0.501 971 Q N -0.371 119.402 119.800 -0.044 0.000 2.214 971 Q HA 0.460 4.800 4.340 0.001 0.000 0.251 971 Q C 0.090 176.037 176.000 -0.088 0.000 0.936 971 Q CA -0.810 54.956 55.803 -0.062 0.000 0.894 971 Q CB 0.701 29.398 28.738 -0.069 0.000 1.252 971 Q HN 0.223 nan 8.270 nan 0.000 0.448 972 E N 1.020 121.166 120.200 -0.090 0.000 2.417 972 E HA 0.141 4.491 4.350 0.001 0.000 0.261 972 E C -1.231 175.277 176.600 -0.154 0.000 1.000 972 E CA 0.121 56.458 56.400 -0.106 0.000 0.919 972 E CB 0.936 30.579 29.700 -0.096 0.000 0.955 972 E HN 0.570 nan 8.360 nan 0.000 0.455 973 A N 5.206 127.926 122.820 -0.166 0.000 2.292 973 A HA 0.422 4.742 4.320 0.001 0.000 0.319 973 A C 0.156 177.618 177.584 -0.202 0.000 1.206 973 A CA -0.643 51.260 52.037 -0.224 0.000 0.835 973 A CB 0.424 19.264 19.000 -0.267 0.000 1.164 973 A HN 0.615 nan 8.150 nan 0.000 0.505 974 L N 2.319 123.391 121.223 -0.251 0.000 2.483 974 L HA 0.106 4.446 4.340 0.001 0.000 0.276 974 L C 1.411 178.255 176.870 -0.043 0.000 1.213 974 L CA -0.303 54.380 54.840 -0.262 0.000 0.843 974 L CB 0.395 42.239 42.059 -0.357 0.000 1.107 974 L HN 0.924 nan 8.230 nan 0.000 0.487 975 T N 1.015 115.663 114.554 0.157 0.000 2.837 975 T HA 0.083 4.433 4.350 0.001 0.000 0.242 975 T C 1.024 175.865 174.700 0.236 0.000 1.044 975 T CA 0.797 63.010 62.100 0.187 0.000 1.202 975 T CB 0.128 69.124 68.868 0.214 0.000 0.905 975 T HN 0.734 nan 8.240 nan 0.000 0.413 976 A N 1.391 124.423 122.820 0.353 0.000 3.453 976 A HA 0.546 4.866 4.320 0.001 0.000 0.159 976 A C 0.366 178.241 177.584 0.485 0.000 1.974 976 A CA -0.409 51.838 52.037 0.350 0.000 1.121 976 A CB -0.180 18.926 19.000 0.176 0.000 1.879 976 A HN 0.346 nan 8.150 nan 0.000 0.752 977 R N 0.302 121.010 120.500 0.347 0.000 2.590 977 R HA 0.189 4.529 4.340 0.001 0.000 0.274 977 R C -1.933 174.560 176.300 0.322 0.000 1.061 977 R CA -1.056 55.209 56.100 0.276 0.000 1.081 977 R CB 0.137 30.464 30.300 0.045 0.000 0.984 977 R HN 0.364 nan 8.270 nan 0.000 0.448 978 P HA -0.089 nan 4.420 nan 0.000 0.222 978 P C 0.897 178.288 177.300 0.152 0.000 1.147 978 P CA 1.034 64.229 63.100 0.158 0.000 0.790 978 P CB 0.319 32.067 31.700 0.080 0.000 0.780 979 G N 0.293 109.171 108.800 0.130 0.000 2.719 979 G HA2 -0.112 3.848 3.960 0.001 0.000 0.211 979 G HA3 -0.112 3.848 3.960 0.001 0.000 0.211 979 G C 1.205 176.162 174.900 0.094 0.000 1.140 979 G CA 0.078 45.230 45.100 0.087 0.000 0.790 979 G HN 0.416 nan 8.290 nan 0.000 0.529 980 E N -0.491 119.763 120.200 0.089 0.000 2.511 980 E HA 0.016 4.366 4.350 0.001 0.000 0.196 980 E C 1.295 177.858 176.600 -0.062 0.000 1.066 980 E CA 0.067 56.465 56.400 -0.002 0.000 0.871 980 E CB -0.266 29.398 29.700 -0.060 0.000 0.863 980 E HN 0.503 nan 8.360 nan 0.000 0.520 981 Y N 1.309 121.607 120.300 -0.002 0.000 2.365 981 Y HA 0.140 4.690 4.550 0.001 0.000 0.293 981 Y C 1.136 177.026 175.900 -0.016 0.000 1.119 981 Y CA 0.236 58.331 58.100 -0.009 0.000 1.203 981 Y CB 0.266 38.717 38.460 -0.014 0.000 1.026 981 Y HN -0.018 nan 8.280 nan 0.000 0.549 982 L N 1.248 122.551 121.223 0.132 0.000 2.417 982 L HA 0.108 4.448 4.340 0.001 0.000 0.268 982 L C 0.210 177.098 176.870 0.031 0.000 1.158 982 L CA -0.557 54.320 54.840 0.061 0.000 0.819 982 L CB 0.443 42.520 42.059 0.030 0.000 1.112 982 L HN 0.053 nan 8.230 nan 0.000 0.458 983 E N 2.717 122.925 120.200 0.013 0.000 2.338 983 E HA 0.228 4.578 4.350 0.001 0.000 0.272 983 E C -2.135 174.457 176.600 -0.015 0.000 1.029 983 E CA -1.808 54.591 56.400 -0.002 0.000 0.872 983 E CB 0.360 30.055 29.700 -0.009 0.000 1.015 983 E HN 0.289 nan 8.360 nan 0.000 0.417 984 P HA -0.048 nan 4.420 nan 0.000 0.265 984 P C -0.331 176.907 177.300 -0.103 0.000 1.187 984 P CA -0.008 63.075 63.100 -0.029 0.000 0.766 984 P CB 0.438 32.139 31.700 0.000 0.000 0.820 985 V N 2.960 122.735 119.914 -0.232 0.000 2.555 985 V HA -0.024 4.096 4.120 0.001 0.000 0.286 985 V C 0.708 176.521 176.094 -0.469 0.000 1.044 985 V CA 0.346 62.387 62.300 -0.432 0.000 1.026 985 V CB 0.431 31.808 31.823 -0.743 0.000 0.981 985 V HN 0.533 nan 8.190 nan 0.000 0.480 986 D N 3.770 124.014 120.400 -0.260 0.000 2.455 986 D HA 0.195 4.835 4.640 0.001 0.000 0.234 986 D C 0.745 176.984 176.300 -0.101 0.000 1.224 986 D CA 0.182 54.109 54.000 -0.121 0.000 0.999 986 D CB 0.003 40.774 40.800 -0.048 0.000 1.072 986 D HN 0.472 nan 8.370 nan 0.000 0.514 987 F N 1.136 121.106 119.950 0.034 0.000 2.269 987 F HA -0.129 4.399 4.527 0.001 0.000 0.301 987 F C 2.216 178.033 175.800 0.028 0.000 1.082 987 F CA 0.589 58.610 58.000 0.036 0.000 1.360 987 F CB 0.225 39.241 39.000 0.028 0.000 1.041 987 F HN 0.346 nan 8.300 nan 0.000 0.512 988 E N 0.387 120.697 120.200 0.184 0.000 2.158 988 E HA -0.114 4.237 4.350 0.001 0.000 0.191 988 E C 1.852 178.496 176.600 0.073 0.000 0.982 988 E CA 0.810 57.276 56.400 0.110 0.000 0.823 988 E CB -0.401 29.345 29.700 0.078 0.000 0.766 988 E HN 0.432 nan 8.360 nan 0.000 0.468 989 K N 0.626 121.061 120.400 0.058 0.000 2.167 989 K HA 0.021 4.341 4.320 0.001 0.000 0.203 989 K C 2.162 178.787 176.600 0.042 0.000 1.052 989 K CA 0.535 56.844 56.287 0.037 0.000 0.956 989 K CB 0.163 32.677 32.500 0.023 0.000 0.735 989 K HN -0.064 nan 8.250 nan 0.000 0.451 990 V N 1.627 121.581 119.914 0.066 0.000 2.358 990 V HA -0.238 3.883 4.120 0.001 0.000 0.246 990 V C 2.407 178.534 176.094 0.054 0.000 1.047 990 V CA 1.851 64.206 62.300 0.091 0.000 1.035 990 V CB -0.491 31.430 31.823 0.164 0.000 0.658 990 V HN 0.329 nan 8.190 nan 0.000 0.452 991 R N 0.635 121.187 120.500 0.087 0.000 2.081 991 R HA -0.191 4.149 4.340 0.001 0.000 0.235 991 R C 2.155 178.467 176.300 0.020 0.000 1.131 991 R CA 2.066 58.198 56.100 0.054 0.000 0.960 991 R CB -0.499 29.841 30.300 0.067 0.000 0.856 991 R HN 0.553 nan 8.270 nan 0.000 0.436 992 E N 0.228 120.442 120.200 0.023 0.000 2.048 992 E HA -0.262 4.088 4.350 0.001 0.000 0.202 992 E C 1.943 178.537 176.600 -0.010 0.000 1.021 992 E CA 1.829 58.235 56.400 0.010 0.000 0.825 992 E CB -0.237 29.471 29.700 0.014 0.000 0.756 992 E HN 0.288 nan 8.360 nan 0.000 0.454 993 L N 0.856 122.061 121.223 -0.029 0.000 2.042 993 L HA -0.194 4.147 4.340 0.001 0.000 0.210 993 L C 2.207 179.025 176.870 -0.088 0.000 1.076 993 L CA 1.507 56.309 54.840 -0.064 0.000 0.749 993 L CB -0.282 41.717 42.059 -0.101 0.000 0.893 993 L HN 0.144 nan 8.230 nan 0.000 0.432 994 L N -1.206 119.956 121.223 -0.102 0.000 2.109 994 L HA -0.113 4.228 4.340 0.001 0.000 0.207 994 L C 2.518 179.388 176.870 -0.001 0.000 1.086 994 L CA 0.746 55.551 54.840 -0.059 0.000 0.760 994 L CB -0.673 41.363 42.059 -0.038 0.000 0.910 994 L HN 0.298 nan 8.230 nan 0.000 0.437 995 E N 0.116 120.317 120.200 0.001 0.000 2.077 995 E HA -0.255 4.096 4.350 0.001 0.000 0.193 995 E C 1.972 178.576 176.600 0.006 0.000 0.989 995 E CA 1.023 57.430 56.400 0.012 0.000 0.800 995 E CB -0.116 29.591 29.700 0.012 0.000 0.746 995 E HN 0.447 nan 8.360 nan 0.000 0.452 996 E N 1.194 121.393 120.200 -0.002 0.000 2.072 996 E HA -0.187 4.163 4.350 0.001 0.000 0.191 996 E C 1.850 178.448 176.600 -0.003 0.000 0.985 996 E CA 0.913 57.311 56.400 -0.003 0.000 0.801 996 E CB 0.123 29.820 29.700 -0.005 0.000 0.750 996 E HN 0.317 nan 8.360 nan 0.000 0.452 997 E N 0.164 120.359 120.200 -0.008 0.000 2.051 997 E HA -0.154 4.196 4.350 0.001 0.000 0.192 997 E C 1.118 177.718 176.600 -0.001 0.000 0.991 997 E CA 0.921 57.317 56.400 -0.006 0.000 0.799 997 E CB 0.106 29.800 29.700 -0.010 0.000 0.748 997 E HN 0.308 nan 8.360 nan 0.000 0.449 998 Q N -0.167 119.637 119.800 0.008 0.000 2.204 998 Q HA 0.047 4.388 4.340 0.001 0.000 0.175 998 Q C 1.589 177.595 176.000 0.009 0.000 1.020 998 Q CA -0.513 55.296 55.803 0.010 0.000 1.078 998 Q CB 0.221 28.976 28.738 0.028 0.000 1.228 998 Q HN 0.056 nan 8.270 nan 0.000 0.550 999 Q N -0.322 119.485 119.800 0.011 0.000 2.079 999 Q HA -0.032 4.308 4.340 0.001 0.000 0.200 999 Q C 0.379 176.387 176.000 0.014 0.000 0.974 999 Q CA 1.634 57.443 55.803 0.010 0.000 0.840 999 Q CB -0.035 28.709 28.738 0.010 0.000 0.898 999 Q HN 0.923 nan 8.270 nan 0.000 0.430 1000 G N 1.589 110.401 108.800 0.020 0.000 2.263 1000 G HA2 -0.032 3.929 3.960 0.001 0.000 0.207 1000 G HA3 -0.032 3.929 3.960 0.001 0.000 0.207 1000 G C -2.108 172.806 174.900 0.023 0.000 1.072 1000 G CA -0.014 45.098 45.100 0.020 0.000 0.800 1000 G HN 0.412 nan 8.290 nan 0.000 0.491 1001 P HA 0.489 nan 4.420 nan 0.000 0.201 1001 P C 0.596 177.918 177.300 0.037 0.000 1.189 1001 P CA 0.721 63.841 63.100 0.032 0.000 0.889 1001 P CB 0.313 32.037 31.700 0.040 0.000 0.725 1002 V N 0.098 120.046 119.914 0.057 0.000 3.541 1002 V HA -0.111 4.009 4.120 0.001 0.000 0.501 1002 V C 0.207 176.322 176.094 0.035 0.000 0.682 1002 V CA 0.664 63.002 62.300 0.064 0.000 2.045 1002 V CB -2.332 29.525 31.823 0.057 0.000 2.474 1002 V HN 0.816 nan 8.190 nan 0.000 0.507 1003 T N 1.749 116.320 114.554 0.029 0.000 2.937 1003 T HA 0.631 4.981 4.350 0.001 0.000 0.283 1003 T C 0.928 175.594 174.700 -0.057 0.000 1.012 1003 T CA -0.158 61.928 62.100 -0.023 0.000 0.997 1003 T CB 2.018 70.860 68.868 -0.043 0.000 1.136 1003 T HN 0.589 nan 8.240 nan 0.000 0.551 1004 E N 0.437 120.571 120.200 -0.109 0.000 2.077 1004 E HA -0.174 4.177 4.350 0.001 0.000 0.193 1004 E C 2.124 178.605 176.600 -0.199 0.000 0.989 1004 E CA 1.398 57.711 56.400 -0.146 0.000 0.800 1004 E CB -0.301 29.295 29.700 -0.173 0.000 0.746 1004 E HN 0.721 nan 8.360 nan 0.000 0.452 1005 Q N 0.502 120.088 119.800 -0.357 0.000 2.181 1005 Q HA -0.158 4.182 4.340 0.001 0.000 0.205 1005 Q C 1.702 177.577 176.000 -0.209 0.000 0.980 1005 Q CA 1.152 56.556 55.803 -0.665 0.000 0.862 1005 Q CB 0.012 28.107 28.738 -1.073 0.000 0.905 1005 Q HN 0.235 nan 8.270 nan 0.000 0.429 1006 D N 0.411 120.778 120.400 -0.054 0.000 2.117 1006 D HA -0.091 4.549 4.640 0.001 0.000 0.198 1006 D C 1.846 178.089 176.300 -0.096 0.000 0.982 1006 D CA 0.893 54.915 54.000 0.037 0.000 0.828 1006 D CB -0.016 40.873 40.800 0.149 0.000 0.967 1006 D HN 0.257 nan 8.370 nan 0.000 0.464 1007 I N 0.918 121.485 120.570 -0.005 0.000 2.163 1007 I HA -0.244 3.927 4.170 0.001 0.000 0.240 1007 I C 2.276 178.501 176.117 0.179 0.000 1.081 1007 I CA 0.848 62.199 61.300 0.086 0.000 1.353 1007 I CB -0.350 37.727 38.000 0.128 0.000 1.054 1007 I HN -0.016 nan 8.210 nan 0.000 0.407 1008 I N -0.692 119.999 120.570 0.202 0.000 2.394 1008 I HA -0.159 4.011 4.170 0.001 0.000 0.251 1008 I C 2.470 178.761 176.117 0.289 0.000 1.136 1008 I CA 1.231 62.702 61.300 0.284 0.000 1.425 1008 I CB -1.232 36.973 38.000 0.341 0.000 1.079 1008 I HN -0.025 nan 8.210 nan 0.000 0.425 1009 S N 0.248 116.168 115.700 0.367 0.000 2.365 1009 S HA -0.248 4.223 4.470 0.001 0.000 0.225 1009 S C 2.002 176.644 174.600 0.070 0.000 1.039 1009 S CA 1.925 60.378 58.200 0.422 0.000 1.033 1009 S CB -0.717 62.742 63.200 0.432 0.000 0.887 1009 S HN 0.657 nan 8.310 nan 0.000 0.447 1010 Y N 2.143 122.209 120.300 -0.391 0.000 2.114 1010 Y HA -0.154 4.396 4.550 0.000 0.000 0.284 1010 Y C 2.316 178.228 175.900 0.020 0.000 1.143 1010 Y CA 1.222 59.151 58.100 -0.285 0.000 1.135 1010 Y CB -0.855 37.403 38.460 -0.338 0.000 0.980 1010 Y HN 0.009 nan 8.280 nan 0.000 0.499 1011 V N 0.646 120.537 119.914 -0.039 0.000 2.282 1011 V HA -0.365 3.756 4.120 0.001 0.000 0.249 1011 V C 2.546 178.591 176.094 -0.082 0.000 1.057 1011 V CA 2.307 64.554 62.300 -0.089 0.000 1.032 1011 V CB -0.784 31.070 31.823 0.051 0.000 0.645 1011 V HN 0.496 nan 8.190 nan 0.000 0.447 1012 L N -1.963 119.218 121.223 -0.069 0.000 2.046 1012 L HA -0.132 4.209 4.340 0.001 0.000 0.208 1012 L C 0.621 177.473 176.870 -0.030 0.000 1.077 1012 L CA 1.558 56.309 54.840 -0.148 0.000 0.747 1012 L CB -0.116 41.926 42.059 -0.028 0.000 0.896 1012 L HN 0.383 nan 8.230 nan 0.000 0.432 1013 Y N -2.269 118.126 120.300 0.159 0.000 2.490 1013 Y HA 0.231 4.782 4.550 0.000 0.000 0.346 1013 Y C -1.846 174.057 175.900 0.006 0.000 1.023 1013 Y CA -1.700 56.478 58.100 0.129 0.000 1.142 1013 Y CB 0.381 38.903 38.460 0.104 0.000 1.126 1013 Y HN -0.069 nan 8.280 nan 0.000 0.647 1014 P HA -0.225 nan 4.420 nan 0.000 0.215 1014 P C 1.701 179.070 177.300 0.114 0.000 1.157 1014 P CA 1.531 64.509 63.100 -0.204 0.000 0.874 1014 P CB 0.546 32.041 31.700 -0.342 0.000 0.790 1015 K N -0.252 120.194 120.400 0.078 0.000 2.057 1015 K HA -0.077 4.243 4.320 0.001 0.000 0.206 1015 K C 1.788 178.443 176.600 0.092 0.000 1.050 1015 K CA 1.361 57.695 56.287 0.079 0.000 0.935 1015 K CB -1.055 31.451 32.500 0.011 0.000 0.715 1015 K HN -0.111 nan 8.250 nan 0.000 0.439 1016 V N 0.282 120.251 119.914 0.091 0.000 2.488 1016 V HA -0.165 3.955 4.120 0.001 0.000 0.246 1016 V C 1.980 178.127 176.094 0.088 0.000 1.046 1016 V CA 1.635 63.972 62.300 0.062 0.000 1.053 1016 V CB -0.623 31.208 31.823 0.014 0.000 0.679 1016 V HN 0.352 nan 8.190 nan 0.000 0.458 1017 Y N 1.367 121.661 120.300 -0.010 0.000 2.145 1017 Y HA -0.193 4.358 4.550 0.001 0.000 0.286 1017 Y C 2.615 178.610 175.900 0.157 0.000 1.145 1017 Y CA 1.870 59.952 58.100 -0.030 0.000 1.148 1017 Y CB -0.050 38.431 38.460 0.035 0.000 0.981 1017 Y HN 0.213 nan 8.280 nan 0.000 0.507 1018 E N 0.362 120.696 120.200 0.222 0.000 2.110 1018 E HA -0.248 4.103 4.350 0.001 0.000 0.193 1018 E C 2.082 178.690 176.600 0.013 0.000 0.988 1018 E CA 1.578 58.042 56.400 0.106 0.000 0.804 1018 E CB -0.360 29.461 29.700 0.202 0.000 0.745 1018 E HN 0.693 nan 8.360 nan 0.000 0.458 1019 Q N -0.711 119.119 119.800 0.049 0.000 2.297 1019 Q HA -0.135 4.205 4.340 0.001 0.000 0.204 1019 Q C 1.903 177.925 176.000 0.036 0.000 0.962 1019 Q CA 0.811 56.633 55.803 0.030 0.000 0.879 1019 Q CB -0.120 28.641 28.738 0.038 0.000 0.947 1019 Q HN 0.337 nan 8.270 nan 0.000 0.462 1020 Y N 0.807 121.062 120.300 -0.074 0.000 2.184 1020 Y HA -0.208 4.342 4.550 0.001 0.000 0.290 1020 Y C 1.859 177.700 175.900 -0.098 0.000 1.129 1020 Y CA 1.021 59.096 58.100 -0.042 0.000 1.144 1020 Y CB -0.038 38.433 38.460 0.018 0.000 0.995 1020 Y HN -0.013 nan 8.280 nan 0.000 0.513 1021 I N 0.824 121.239 120.570 -0.258 0.000 2.151 1021 I HA -0.332 3.838 4.170 0.001 0.000 0.243 1021 I C 2.280 178.250 176.117 -0.244 0.000 1.080 1021 I CA 1.438 62.553 61.300 -0.308 0.000 1.339 1021 I CB -1.446 36.397 38.000 -0.261 0.000 1.039 1021 I HN 0.389 nan 8.210 nan 0.000 0.409 1022 Q N 0.196 119.896 119.800 -0.166 0.000 2.061 1022 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 1022 Q C 2.289 178.182 176.000 -0.178 0.000 0.984 1022 Q CA 2.171 57.892 55.803 -0.135 0.000 0.846 1022 Q CB -0.948 27.739 28.738 -0.085 0.000 0.902 1022 Q HN 0.485 nan 8.270 nan 0.000 0.421 1023 T N 0.929 115.373 114.554 -0.183 0.000 2.777 1023 T HA -0.154 4.197 4.350 0.001 0.000 0.266 1023 T C 1.841 176.418 174.700 -0.206 0.000 1.040 1023 T CA 1.533 63.537 62.100 -0.160 0.000 1.141 1023 T CB -0.166 68.683 68.868 -0.031 0.000 0.868 1023 T HN 0.370 nan 8.240 nan 0.000 0.444 1024 R N 1.509 121.782 120.500 -0.378 0.000 2.105 1024 R HA -0.052 4.289 4.340 0.001 0.000 0.239 1024 R C 2.013 178.207 176.300 -0.176 0.000 1.135 1024 R CA 1.952 57.856 56.100 -0.327 0.000 0.967 1024 R CB -0.417 29.574 30.300 -0.515 0.000 0.861 1024 R HN 0.465 nan 8.270 nan 0.000 0.442 1025 N N -0.390 118.203 118.700 -0.178 0.000 2.309 1025 N HA -0.164 4.576 4.740 0.001 0.000 0.182 1025 N C 1.757 177.187 175.510 -0.133 0.000 1.018 1025 N CA 0.865 53.839 53.050 -0.126 0.000 0.876 1025 N CB 0.049 38.467 38.487 -0.115 0.000 0.972 1025 N HN 0.429 nan 8.380 nan 0.000 0.434 1026 Q N -0.578 119.096 119.800 -0.210 0.000 2.259 1026 Q HA -0.009 4.332 4.340 0.001 0.000 0.201 1026 Q C 0.474 176.301 176.000 -0.288 0.000 0.938 1026 Q CA 0.867 56.465 55.803 -0.343 0.000 0.872 1026 Q CB 0.451 28.828 28.738 -0.602 0.000 0.971 1026 Q HN 0.515 nan 8.270 nan 0.000 0.494 1027 Y N -1.498 118.802 120.300 -0.001 0.000 2.499 1027 Y HA 0.275 4.825 4.550 0.000 0.000 0.253 1027 Y C 0.875 176.753 175.900 -0.036 0.000 1.105 1027 Y CA -0.363 57.748 58.100 0.019 0.000 1.240 1027 Y CB 1.603 40.105 38.460 0.070 0.000 1.289 1027 Y HN 0.232 nan 8.280 nan 0.000 0.534 1028 G N 1.894 110.736 108.800 0.070 0.000 2.642 1028 G HA2 -0.358 3.602 3.960 0.001 0.000 0.231 1028 G HA3 -0.358 3.602 3.960 0.001 0.000 0.231 1028 G C -0.508 174.395 174.900 0.005 0.000 1.338 1028 G CA -0.250 44.862 45.100 0.019 0.000 0.883 1028 G HN 0.442 nan 8.290 nan 0.000 0.570 1029 N N 0.573 119.277 118.700 0.007 0.000 2.434 1029 N HA 0.294 5.034 4.740 0.001 0.000 0.273 1029 N C 1.904 177.402 175.510 -0.019 0.000 1.210 1029 N CA -0.328 52.732 53.050 0.017 0.000 0.992 1029 N CB -0.145 38.361 38.487 0.033 0.000 1.355 1029 N HN 0.496 nan 8.380 nan 0.000 0.495 1030 L N 1.756 122.959 121.223 -0.034 0.000 2.362 1030 L HA -0.139 4.202 4.340 0.001 0.000 0.219 1030 L C 2.432 179.226 176.870 -0.127 0.000 1.134 1030 L CA 0.531 55.312 54.840 -0.099 0.000 0.807 1030 L CB -0.410 41.630 42.059 -0.032 0.000 0.927 1030 L HN 0.606 nan 8.230 nan 0.000 0.447 1031 S N -0.061 115.583 115.700 -0.095 0.000 2.447 1031 S HA -0.116 4.354 4.470 0.001 0.000 0.233 1031 S C 1.833 176.377 174.600 -0.095 0.000 1.006 1031 S CA 0.695 58.817 58.200 -0.129 0.000 0.957 1031 S CB -0.443 62.727 63.200 -0.049 0.000 0.773 1031 S HN 0.436 nan 8.310 nan 0.000 0.507 1032 L N 0.738 121.928 121.223 -0.056 0.000 2.217 1032 L HA 0.182 4.522 4.340 0.001 0.000 0.211 1032 L C 0.986 177.834 176.870 -0.036 0.000 1.107 1032 L CA 0.245 55.066 54.840 -0.032 0.000 0.783 1032 L CB -0.567 41.483 42.059 -0.015 0.000 0.919 1032 L HN 0.297 nan 8.230 nan 0.000 0.442 1033 L N 1.198 122.390 121.223 -0.051 0.000 2.483 1033 L HA -0.008 4.332 4.340 0.001 0.000 0.276 1033 L C 0.408 177.256 176.870 -0.038 0.000 1.213 1033 L CA -0.143 54.684 54.840 -0.021 0.000 0.843 1033 L CB 0.054 42.131 42.059 0.031 0.000 1.107 1033 L HN 0.261 nan 8.230 nan 0.000 0.487 1034 D N 0.747 121.135 120.400 -0.020 0.000 2.339 1034 D HA 0.019 4.660 4.640 0.001 0.000 0.245 1034 D C 0.646 176.902 176.300 -0.074 0.000 1.115 1034 D CA -0.414 53.559 54.000 -0.046 0.000 0.917 1034 D CB 1.415 42.185 40.800 -0.051 0.000 1.192 1034 D HN 0.496 nan 8.370 nan 0.000 0.428 1035 T N 2.069 116.545 114.554 -0.131 0.000 2.635 1035 T HA -0.090 4.261 4.350 0.001 0.000 0.267 1035 T C -0.953 173.685 174.700 -0.104 0.000 1.040 1035 T CA 1.711 63.717 62.100 -0.157 0.000 1.156 1035 T CB -1.048 67.772 68.868 -0.081 0.000 0.863 1035 T HN 0.482 nan 8.240 nan 0.000 0.430 1036 P HA -0.109 nan 4.420 nan 0.000 0.216 1036 P C 1.642 179.036 177.300 0.157 0.000 1.157 1036 P CA 1.448 64.530 63.100 -0.030 0.000 0.880 1036 P CB -0.307 31.242 31.700 -0.251 0.000 0.791 1037 T N -1.390 113.200 114.554 0.060 0.000 2.821 1037 T HA -0.135 4.215 4.350 0.001 0.000 0.267 1037 T C 1.429 176.213 174.700 0.141 0.000 1.046 1037 T CA 0.868 63.033 62.100 0.109 0.000 1.139 1037 T CB -0.969 67.949 68.868 0.083 0.000 0.871 1037 T HN 0.026 nan 8.240 nan 0.000 0.454 1038 F N 0.684 120.584 119.950 -0.082 0.000 2.161 1038 F HA 0.004 4.532 4.527 0.001 0.000 0.300 1038 F C 1.508 177.089 175.800 -0.366 0.000 1.089 1038 F CA 1.169 59.067 58.000 -0.170 0.000 1.282 1038 F CB -0.336 38.394 39.000 -0.451 0.000 1.010 1038 F HN 0.189 nan 8.300 nan 0.000 0.485 1039 F N -2.580 117.191 119.950 -0.298 0.000 2.656 1039 F HA 0.072 4.599 4.527 0.000 0.000 0.291 1039 F C 1.132 176.424 175.800 -0.847 0.000 1.122 1039 F CA 0.174 57.643 58.000 -0.884 0.000 1.427 1039 F CB 0.067 38.593 39.000 -0.790 0.000 1.125 1039 F HN -0.146 nan 8.300 nan 0.000 0.583 1040 F N -0.927 119.018 119.950 -0.008 0.000 2.817 1040 F HA 0.404 4.931 4.527 0.001 0.000 0.333 1040 F C 1.401 177.193 175.800 -0.013 0.000 1.085 1040 F CA 0.262 58.261 58.000 -0.002 0.000 1.170 1040 F CB 0.149 39.145 39.000 -0.007 0.000 1.066 1040 F HN -0.008 nan 8.300 nan 0.000 0.564 1041 G N 1.791 110.662 108.800 0.118 0.000 2.556 1041 G HA2 -0.302 3.658 3.960 0.001 0.000 0.283 1041 G HA3 -0.302 3.658 3.960 0.001 0.000 0.283 1041 G C -0.178 174.788 174.900 0.110 0.000 1.177 1041 G CA 0.087 45.234 45.100 0.078 0.000 0.978 1041 G HN 0.096 nan 8.290 nan 0.000 0.554 1042 M N 0.259 119.915 119.600 0.093 0.000 2.446 1042 M HA 0.458 4.938 4.480 0.001 0.000 0.294 1042 M C 0.334 176.663 176.300 0.048 0.000 1.158 1042 M CA -0.718 54.631 55.300 0.081 0.000 0.899 1042 M CB 2.554 35.221 32.600 0.113 0.000 1.687 1042 M HN 0.589 nan 8.290 nan 0.000 0.455 1043 R N 1.076 121.594 120.500 0.031 0.000 2.615 1043 R HA 0.287 4.627 4.340 0.001 0.000 0.270 1043 R C -0.341 175.959 176.300 -0.001 0.000 1.081 1043 R CA -0.431 55.675 56.100 0.010 0.000 1.154 1043 R CB 0.291 30.591 30.300 0.000 0.000 1.063 1043 R HN 0.666 nan 8.270 nan 0.000 0.519 1044 N N 0.262 118.952 118.700 -0.015 0.000 2.357 1044 N HA -0.040 4.701 4.740 0.001 0.000 0.257 1044 N C 0.923 176.423 175.510 -0.017 0.000 1.250 1044 N CA 0.862 53.896 53.050 -0.027 0.000 0.862 1044 N CB 0.407 38.873 38.487 -0.034 0.000 1.066 1044 N HN 0.836 nan 8.380 nan 0.000 0.468 1045 G N 0.909 109.700 108.800 -0.015 0.000 2.234 1045 G HA2 -0.348 3.612 3.960 0.001 0.000 0.260 1045 G HA3 -0.348 3.612 3.960 0.001 0.000 0.260 1045 G C 0.126 175.032 174.900 0.010 0.000 0.987 1045 G CA 0.097 45.195 45.100 -0.004 0.000 0.625 1045 G HN 0.669 nan 8.290 nan 0.000 0.532 1046 E N 1.076 121.286 120.200 0.016 0.000 2.383 1046 E HA 0.432 4.782 4.350 0.001 0.000 0.264 1046 E C -0.305 176.320 176.600 0.042 0.000 1.050 1046 E CA 0.376 56.791 56.400 0.025 0.000 0.896 1046 E CB 0.347 30.063 29.700 0.027 0.000 0.982 1046 E HN 0.186 nan 8.360 nan 0.000 0.424 1047 T N 2.863 117.439 114.554 0.036 0.000 2.779 1047 T HA 0.370 4.720 4.350 0.001 0.000 0.280 1047 T C -0.650 174.072 174.700 0.037 0.000 0.987 1047 T CA -0.617 61.508 62.100 0.042 0.000 0.966 1047 T CB 1.361 70.249 68.868 0.032 0.000 0.933 1047 T HN 0.174 nan 8.240 nan 0.000 0.442 1048 V N 3.506 123.447 119.914 0.045 0.000 2.513 1048 V HA 0.394 4.514 4.120 0.001 0.000 0.299 1048 V C -0.163 175.946 176.094 0.024 0.000 1.035 1048 V CA -0.811 61.509 62.300 0.034 0.000 0.889 1048 V CB 1.880 33.730 31.823 0.045 0.000 0.988 1048 V HN 0.846 nan 8.190 nan 0.000 0.440 1049 E N 4.941 125.150 120.200 0.016 0.000 2.145 1049 E HA 0.495 4.845 4.350 0.001 0.000 0.270 1049 E C -1.156 175.448 176.600 0.007 0.000 0.906 1049 E CA -0.441 55.965 56.400 0.010 0.000 0.761 1049 E CB 2.388 32.093 29.700 0.009 0.000 1.116 1049 E HN 0.498 nan 8.360 nan 0.000 0.408 1050 I N 2.944 123.516 120.570 0.003 0.000 2.330 1050 I HA 0.062 4.232 4.170 0.001 0.000 0.286 1050 I C 0.193 176.310 176.117 -0.000 0.000 1.025 1050 I CA -0.535 60.766 61.300 0.000 0.000 1.197 1050 I CB 1.016 39.014 38.000 -0.004 0.000 1.358 1050 I HN 0.475 nan 8.210 nan 0.000 0.467 1051 E N 6.726 126.927 120.200 0.002 0.000 2.220 1051 E HA 0.133 4.483 4.350 0.001 0.000 0.272 1051 E C 0.252 176.854 176.600 0.003 0.000 1.099 1051 E CA 0.292 56.695 56.400 0.004 0.000 0.907 1051 E CB 0.679 30.383 29.700 0.007 0.000 1.022 1051 E HN 0.594 nan 8.360 nan 0.000 0.428 1052 I N 2.807 123.379 120.570 0.003 0.000 2.556 1052 I HA 0.169 4.339 4.170 0.001 0.000 0.251 1052 I C 0.424 176.546 176.117 0.008 0.000 1.105 1052 I CA 0.339 61.642 61.300 0.004 0.000 1.436 1052 I CB 0.285 38.286 38.000 0.001 0.000 1.139 1052 I HN 0.591 nan 8.210 nan 0.000 0.438 1053 D N -0.747 119.657 120.400 0.006 0.000 2.755 1053 D HA 0.092 4.733 4.640 0.001 0.000 0.277 1053 D C -0.969 175.334 176.300 0.004 0.000 1.261 1053 D CA -0.680 53.324 54.000 0.007 0.000 0.759 1053 D CB 1.192 41.996 40.800 0.006 0.000 1.279 1053 D HN -0.205 nan 8.370 nan 0.000 0.420 1054 K N 0.800 121.202 120.400 0.004 0.000 2.366 1054 K HA 0.274 4.594 4.320 0.001 0.000 0.272 1054 K C 0.802 177.402 176.600 -0.000 0.000 1.151 1054 K CA 1.473 57.760 56.287 0.001 0.000 1.173 1054 K CB -0.756 31.743 32.500 -0.001 0.000 0.853 1054 K HN 0.661 nan 8.250 nan 0.000 0.473 1055 G N 3.524 112.324 108.800 -0.000 0.000 2.162 1055 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 1055 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 1055 G C -0.541 174.358 174.900 -0.001 0.000 0.976 1055 G CA 0.796 45.895 45.100 -0.001 0.000 0.655 1055 G HN 0.642 nan 8.290 nan 0.000 0.533 1056 K N -0.084 120.315 120.400 -0.000 0.000 2.426 1056 K HA 0.724 5.045 4.320 0.001 0.000 0.254 1056 K C -0.117 176.483 176.600 -0.001 0.000 0.936 1056 K CA -1.038 55.249 56.287 -0.001 0.000 0.801 1056 K CB 2.004 34.503 32.500 -0.001 0.000 1.139 1056 K HN 0.539 nan 8.250 nan 0.000 0.424 1057 R N 2.330 122.829 120.500 -0.001 0.000 2.698 1057 R HA 0.458 4.799 4.340 0.001 0.000 0.275 1057 R C -0.929 175.368 176.300 -0.004 0.000 1.001 1057 R CA -1.052 55.047 56.100 -0.002 0.000 0.896 1057 R CB 1.123 31.423 30.300 0.001 0.000 1.218 1057 R HN 0.422 nan 8.270 nan 0.000 0.462 1058 L N 3.002 124.220 121.223 -0.007 0.000 2.319 1058 L HA 0.347 4.687 4.340 0.001 0.000 0.280 1058 L C -0.279 176.587 176.870 -0.007 0.000 1.099 1058 L CA -0.834 53.998 54.840 -0.013 0.000 0.828 1058 L CB 0.845 42.890 42.059 -0.024 0.000 1.150 1058 L HN 0.498 nan 8.230 nan 0.000 0.442 1059 I N 5.708 126.276 120.570 -0.003 0.000 2.347 1059 I HA 0.365 4.535 4.170 0.001 0.000 0.283 1059 I C 0.148 176.273 176.117 0.013 0.000 1.058 1059 I CA -0.317 60.987 61.300 0.008 0.000 1.202 1059 I CB 0.785 38.792 38.000 0.012 0.000 1.386 1059 I HN 0.454 nan 8.210 nan 0.000 0.475 1060 I N 5.674 126.255 120.570 0.018 0.000 2.359 1060 I HA 0.353 4.523 4.170 0.001 0.000 0.294 1060 I C 0.262 176.440 176.117 0.101 0.000 0.987 1060 I CA -0.576 60.747 61.300 0.038 0.000 1.225 1060 I CB 1.613 39.606 38.000 -0.013 0.000 1.366 1060 I HN 0.434 nan 8.210 nan 0.000 0.466 1061 K N 7.356 127.849 120.400 0.156 0.000 2.413 1061 K HA 0.490 4.810 4.320 0.001 0.000 0.257 1061 K C -1.401 175.340 176.600 0.234 0.000 0.946 1061 K CA -0.669 55.711 56.287 0.155 0.000 0.823 1061 K CB 1.757 34.315 32.500 0.096 0.000 1.109 1061 K HN 0.596 nan 8.250 nan 0.000 0.427 1062 L N 4.972 126.292 121.223 0.161 0.000 2.278 1062 L HA 0.209 4.549 4.340 0.001 0.000 0.287 1062 L C 0.489 177.337 176.870 -0.037 0.000 1.072 1062 L CA 0.205 55.034 54.840 -0.017 0.000 0.819 1062 L CB 0.773 42.794 42.059 -0.063 0.000 1.176 1062 L HN 0.873 nan 8.230 nan 0.000 0.435 1063 E N 2.044 122.213 120.200 -0.053 0.000 2.057 1063 E HA 0.066 4.416 4.350 0.001 0.000 0.190 1063 E C 0.028 176.578 176.600 -0.083 0.000 0.969 1063 E CA 0.544 56.922 56.400 -0.037 0.000 0.812 1063 E CB 0.439 30.140 29.700 0.002 0.000 0.777 1063 E HN 0.624 nan 8.360 nan 0.000 0.455 1064 T N -0.669 113.822 114.554 -0.105 0.000 2.830 1064 T HA 0.503 4.853 4.350 0.001 0.000 0.322 1064 T C -1.931 172.719 174.700 -0.082 0.000 1.501 1064 T CA -0.686 61.333 62.100 -0.135 0.000 1.036 1064 T CB 0.939 69.655 68.868 -0.254 0.000 1.379 1064 T HN 0.000 nan 8.240 nan 0.000 0.493 1065 I N 3.437 123.964 120.570 -0.071 0.000 2.418 1065 I HA 0.405 4.575 4.170 0.001 0.000 0.287 1065 I C 0.806 176.917 176.117 -0.010 0.000 1.008 1065 I CA -0.866 60.421 61.300 -0.021 0.000 1.104 1065 I CB 2.149 40.126 38.000 -0.038 0.000 1.264 1065 I HN 0.760 nan 8.210 nan 0.000 0.438 1066 S N 4.856 120.587 115.700 0.051 0.000 2.617 1066 S HA 0.283 4.754 4.470 0.001 0.000 0.259 1066 S C 0.232 174.843 174.600 0.020 0.000 1.301 1066 S CA -0.606 57.620 58.200 0.043 0.000 0.984 1066 S CB 0.894 64.171 63.200 0.128 0.000 0.954 1066 S HN 0.514 nan 8.310 nan 0.000 0.572 1067 E N 1.476 121.681 120.200 0.008 0.000 2.408 1067 E HA 0.279 4.629 4.350 0.001 0.000 0.259 1067 E C -2.336 174.274 176.600 0.017 0.000 1.110 1067 E CA -1.749 54.646 56.400 -0.009 0.000 0.929 1067 E CB -0.124 29.560 29.700 -0.026 0.000 0.971 1067 E HN 0.457 nan 8.360 nan 0.000 0.438 1068 P HA -0.003 nan 4.420 nan 0.000 0.271 1068 P C -0.539 176.779 177.300 0.030 0.000 1.216 1068 P CA -0.163 62.953 63.100 0.027 0.000 0.771 1068 P CB 0.400 32.110 31.700 0.017 0.000 0.864 1069 D N 2.081 122.512 120.400 0.052 0.000 2.380 1069 D HA -0.069 4.572 4.640 0.001 0.000 0.254 1069 D C 1.271 177.591 176.300 0.032 0.000 1.288 1069 D CA -0.278 53.750 54.000 0.046 0.000 1.008 1069 D CB 0.063 40.899 40.800 0.060 0.000 1.099 1069 D HN 0.417 nan 8.370 nan 0.000 0.537 1070 E N -0.030 120.186 120.200 0.027 0.000 2.396 1070 E HA -0.269 4.081 4.350 0.001 0.000 0.200 1070 E C 0.189 176.800 176.600 0.020 0.000 1.023 1070 E CA 1.124 57.536 56.400 0.019 0.000 0.857 1070 E CB -0.786 28.923 29.700 0.015 0.000 0.775 1070 E HN 0.581 nan 8.360 nan 0.000 0.525 1071 N N -0.143 118.571 118.700 0.024 0.000 2.236 1071 N HA 0.207 4.947 4.740 0.001 0.000 0.196 1071 N C 0.795 176.325 175.510 0.032 0.000 1.114 1071 N CA 0.419 53.483 53.050 0.024 0.000 0.859 1071 N CB 1.127 39.625 38.487 0.018 0.000 0.982 1071 N HN 0.342 nan 8.380 nan 0.000 0.493 1072 G N 0.595 109.417 108.800 0.037 0.000 2.159 1072 G HA2 -0.274 3.687 3.960 0.001 0.000 0.256 1072 G HA3 -0.274 3.687 3.960 0.001 0.000 0.256 1072 G C -0.441 174.493 174.900 0.056 0.000 0.977 1072 G CA -0.406 44.720 45.100 0.044 0.000 0.652 1072 G HN 0.292 nan 8.290 nan 0.000 0.531 1073 N N 1.233 119.973 118.700 0.067 0.000 2.401 1073 N HA 0.300 5.041 4.740 0.001 0.000 0.255 1073 N C 0.638 176.219 175.510 0.117 0.000 1.110 1073 N CA 0.099 53.210 53.050 0.101 0.000 0.949 1073 N CB 0.578 39.134 38.487 0.115 0.000 1.110 1073 N HN 0.479 nan 8.380 nan 0.000 0.490 1074 R N 0.776 121.337 120.500 0.102 0.000 2.500 1074 R HA 0.379 4.719 4.340 0.001 0.000 0.275 1074 R C -0.054 176.293 176.300 0.078 0.000 1.051 1074 R CA -0.323 55.827 56.100 0.082 0.000 1.088 1074 R CB 0.847 31.176 30.300 0.048 0.000 1.063 1074 R HN 0.306 nan 8.270 nan 0.000 0.511 1075 T N 3.118 117.702 114.554 0.051 0.000 2.779 1075 T HA 0.424 4.775 4.350 0.001 0.000 0.280 1075 T C 0.277 174.950 174.700 -0.044 0.000 0.987 1075 T CA -0.552 61.495 62.100 -0.089 0.000 0.966 1075 T CB 0.757 69.585 68.868 -0.065 0.000 0.933 1075 T HN 0.307 nan 8.240 nan 0.000 0.442 1076 I N 3.018 123.483 120.570 -0.174 0.000 2.385 1076 I HA 0.333 4.504 4.170 0.001 0.000 0.294 1076 I C -0.827 175.167 176.117 -0.205 0.000 0.988 1076 I CA -0.971 60.227 61.300 -0.171 0.000 1.265 1076 I CB 1.048 38.847 38.000 -0.334 0.000 1.388 1076 I HN 0.563 nan 8.210 nan 0.000 0.480 1077 Y N 5.690 125.814 120.300 -0.292 0.000 2.417 1077 Y HA 0.412 4.962 4.550 0.000 0.000 0.336 1077 Y C -0.367 175.414 175.900 -0.197 0.000 0.961 1077 Y CA -0.573 57.422 58.100 -0.175 0.000 1.215 1077 Y CB 0.344 38.740 38.460 -0.107 0.000 1.120 1077 Y HN 0.344 nan 8.280 nan 0.000 0.499 1078 Y N 0.972 121.306 120.300 0.056 0.000 2.568 1078 Y HA 0.782 5.333 4.550 0.001 0.000 0.327 1078 Y C 0.014 175.939 175.900 0.041 0.000 1.163 1078 Y CA -1.352 56.773 58.100 0.041 0.000 1.219 1078 Y CB 1.680 40.146 38.460 0.010 0.000 1.308 1078 Y HN 0.497 nan 8.280 nan 0.000 0.503 1079 A N 2.518 125.486 122.820 0.246 0.000 2.335 1079 A HA 0.671 4.991 4.320 0.001 0.000 0.304 1079 A C -1.260 176.384 177.584 0.099 0.000 1.118 1079 A CA -0.637 51.482 52.037 0.137 0.000 0.757 1079 A CB 0.840 19.901 19.000 0.101 0.000 1.188 1079 A HN 0.778 nan 8.150 nan 0.000 0.460 1080 M N 3.770 123.401 119.600 0.052 0.000 2.053 1080 M HA 0.349 4.830 4.480 0.001 0.000 0.297 1080 M C -0.654 175.650 176.300 0.007 0.000 0.921 1080 M CA -0.125 55.179 55.300 0.007 0.000 0.918 1080 M CB 0.493 33.068 32.600 -0.041 0.000 1.499 1080 M HN 0.748 nan 8.290 nan 0.000 0.422 1081 N N 3.679 122.384 118.700 0.008 0.000 2.696 1081 N HA -0.171 4.569 4.740 0.001 0.000 0.256 1081 N C 0.499 176.017 175.510 0.012 0.000 1.031 1081 N CA 1.572 54.627 53.050 0.007 0.000 0.730 1081 N CB -1.495 36.992 38.487 -0.001 0.000 0.894 1081 N HN 1.239 nan 8.380 nan 0.000 0.544 1082 G N -0.285 108.528 108.800 0.021 0.000 2.249 1082 G HA2 -0.324 3.637 3.960 0.001 0.000 0.273 1082 G HA3 -0.324 3.637 3.960 0.001 0.000 0.273 1082 G C -0.255 174.661 174.900 0.027 0.000 1.036 1082 G CA 0.519 45.634 45.100 0.024 0.000 0.824 1082 G HN 0.607 nan 8.290 nan 0.000 0.504 1083 Q N -0.591 119.228 119.800 0.032 0.000 2.294 1083 Q HA 0.607 4.948 4.340 0.001 0.000 0.264 1083 Q C 0.324 176.354 176.000 0.051 0.000 0.992 1083 Q CA -0.250 55.573 55.803 0.033 0.000 0.747 1083 Q CB 1.985 30.734 28.738 0.018 0.000 1.262 1083 Q HN 0.916 nan 8.270 nan 0.000 0.452 1084 A N 2.770 125.625 122.820 0.060 0.000 2.603 1084 A HA 0.147 4.468 4.320 0.001 0.000 0.235 1084 A C 0.028 177.649 177.584 0.061 0.000 1.035 1084 A CA 0.764 52.844 52.037 0.072 0.000 0.755 1084 A CB 0.145 19.190 19.000 0.075 0.000 0.954 1084 A HN 0.640 nan 8.150 nan 0.000 0.511 1085 R N 0.515 121.054 120.500 0.064 0.000 2.626 1085 R HA 0.579 4.919 4.340 0.001 0.000 0.274 1085 R C -1.172 175.115 176.300 -0.022 0.000 1.031 1085 R CA -0.313 55.816 56.100 0.050 0.000 0.898 1085 R CB 1.608 31.966 30.300 0.096 0.000 1.222 1085 R HN 0.835 nan 8.270 nan 0.000 0.455 1086 R N 4.066 124.508 120.500 -0.097 0.000 2.532 1086 R HA 0.581 4.921 4.340 0.001 0.000 0.297 1086 R C -0.787 175.312 176.300 -0.335 0.000 0.984 1086 R CA -0.802 55.110 56.100 -0.314 0.000 0.884 1086 R CB 1.633 31.679 30.300 -0.423 0.000 1.182 1086 R HN 0.346 nan 8.270 nan 0.000 0.442 1087 I N 3.033 123.352 120.570 -0.420 0.000 2.689 1087 I HA 0.383 4.554 4.170 0.001 0.000 0.299 1087 I C -0.860 174.927 176.117 -0.550 0.000 1.059 1087 I CA -1.055 60.062 61.300 -0.304 0.000 1.055 1087 I CB 1.950 39.987 38.000 0.062 0.000 1.243 1087 I HN 0.547 nan 8.210 nan 0.000 0.425 1088 Y N 5.031 125.361 120.300 0.050 0.000 2.341 1088 Y HA 0.622 5.173 4.550 0.001 0.000 0.338 1088 Y C -0.238 175.694 175.900 0.053 0.000 0.965 1088 Y CA -0.775 57.349 58.100 0.040 0.000 1.108 1088 Y CB 1.634 40.111 38.460 0.028 0.000 1.180 1088 Y HN 0.256 nan 8.280 nan 0.000 0.458 1089 I N 3.096 123.759 120.570 0.156 0.000 2.466 1089 I HA 0.278 4.448 4.170 0.001 0.000 0.289 1089 I C -0.424 175.752 176.117 0.098 0.000 1.026 1089 I CA -0.927 60.441 61.300 0.114 0.000 1.078 1089 I CB 1.925 39.971 38.000 0.076 0.000 1.249 1089 I HN 0.442 nan 8.210 nan 0.000 0.429 1090 K N 4.290 124.742 120.400 0.086 0.000 2.368 1090 K HA 0.077 4.397 4.320 0.001 0.000 0.282 1090 K C -0.381 176.251 176.600 0.054 0.000 1.035 1090 K CA -0.217 56.110 56.287 0.067 0.000 0.973 1090 K CB 0.477 33.010 32.500 0.054 0.000 0.957 1090 K HN 0.487 nan 8.250 nan 0.000 0.474 1091 D N 3.411 123.843 120.400 0.052 0.000 2.312 1091 D HA 0.007 4.648 4.640 0.001 0.000 0.252 1091 D C -0.429 175.896 176.300 0.042 0.000 1.150 1091 D CA 0.000 54.029 54.000 0.048 0.000 0.870 1091 D CB 0.985 41.820 40.800 0.059 0.000 1.153 1091 D HN 0.448 nan 8.370 nan 0.000 0.457 1092 E N 2.831 123.050 120.200 0.031 0.000 2.261 1092 E HA -0.014 4.337 4.350 0.001 0.000 0.308 1092 E C 0.097 176.710 176.600 0.022 0.000 1.400 1092 E CA -0.207 56.207 56.400 0.023 0.000 1.542 1092 E CB -0.757 28.951 29.700 0.013 0.000 1.369 1092 E HN 0.530 nan 8.360 nan 0.000 0.493 1093 N N 0.100 118.819 118.700 0.032 0.000 2.746 1093 N HA -0.191 4.550 4.740 0.001 0.000 0.250 1093 N C -0.353 175.168 175.510 0.019 0.000 1.055 1093 N CA 0.553 53.621 53.050 0.030 0.000 0.699 1093 N CB -1.194 37.305 38.487 0.019 0.000 0.919 1093 N HN 0.101 nan 8.380 nan 0.000 0.548 1094 V N -0.316 119.617 119.914 0.032 0.000 3.542 1094 V HA 0.195 4.315 4.120 0.001 0.000 0.296 1094 V C 1.160 177.222 176.094 -0.054 0.000 1.364 1094 V CA 0.495 62.790 62.300 -0.008 0.000 1.118 1094 V CB -0.055 31.771 31.823 0.006 0.000 0.972 1094 V HN 0.598 nan 8.190 nan 0.000 0.430 1095 H N -0.910 118.164 119.070 0.006 0.000 3.881 1095 H HA 0.084 4.640 4.556 -0.000 0.000 0.256 1095 H C 1.693 177.025 175.328 0.007 0.000 1.069 1095 H CA 1.210 57.262 56.048 0.006 0.000 1.145 1095 H CB 1.530 31.296 29.762 0.008 0.000 1.445 1095 H HN 0.391 nan 8.280 nan 0.000 0.700 1096 T N 0.549 115.173 114.554 0.117 0.000 11.905 1096 T HA -0.348 4.003 4.350 0.001 0.000 0.415 1096 T C 1.126 175.865 174.700 0.066 0.000 1.473 1096 T CA 2.453 64.594 62.100 0.069 0.000 2.431 1096 T CB -1.321 67.572 68.868 0.042 0.000 2.843 1096 T HN 0.697 nan 8.240 nan 0.000 0.889 1097 N N 0.664 119.414 118.700 0.084 0.000 2.211 1097 N HA 0.499 5.240 4.740 0.001 0.000 0.216 1097 N C 1.322 176.854 175.510 0.037 0.000 1.240 1097 N CA 0.464 53.547 53.050 0.055 0.000 0.895 1097 N CB 0.215 38.730 38.487 0.048 0.000 1.102 1097 N HN 0.507 nan 8.380 nan 0.000 0.498 1098 A N 0.435 123.278 122.820 0.039 0.000 2.176 1098 A HA 0.086 4.406 4.320 0.001 0.000 0.214 1098 A C -0.162 177.374 177.584 -0.079 0.000 1.327 1098 A CA -0.211 51.775 52.037 -0.085 0.000 1.015 1098 A CB -0.909 17.855 19.000 -0.393 0.000 0.818 1098 A HN 0.339 nan 8.150 nan 0.000 0.500 1099 N N 0.015 118.704 118.700 -0.018 0.000 2.483 1099 N HA 0.238 4.979 4.740 0.001 0.000 0.264 1099 N C -0.393 175.112 175.510 -0.010 0.000 1.197 1099 N CA 0.108 53.154 53.050 -0.006 0.000 0.927 1099 N CB 1.063 39.557 38.487 0.012 0.000 1.065 1099 N HN 0.028 nan 8.380 nan 0.000 0.461 1100 V N 3.900 123.811 119.914 -0.005 0.000 2.408 1100 V HA 0.093 4.213 4.120 0.001 0.000 0.267 1100 V C 0.493 176.595 176.094 0.014 0.000 1.047 1100 V CA -0.559 61.742 62.300 0.001 0.000 0.937 1100 V CB 0.276 32.100 31.823 0.003 0.000 0.999 1100 V HN 0.418 nan 8.190 nan 0.000 0.472 1101 K N 6.917 127.325 120.400 0.014 0.000 2.276 1101 K HA 0.375 4.695 4.320 0.001 0.000 0.283 1101 K C -2.375 174.242 176.600 0.028 0.000 1.044 1101 K CA -1.913 54.386 56.287 0.019 0.000 0.944 1101 K CB 0.684 33.194 32.500 0.016 0.000 1.012 1101 K HN 0.375 nan 8.250 nan 0.000 0.472 1102 P HA 0.042 nan 4.420 nan 0.000 0.268 1102 P C -0.301 177.034 177.300 0.058 0.000 1.205 1102 P CA -0.095 63.035 63.100 0.050 0.000 0.771 1102 P CB 0.557 32.293 31.700 0.060 0.000 0.858 1103 K N 1.299 121.736 120.400 0.061 0.000 2.295 1103 K HA 0.368 4.688 4.320 0.001 0.000 0.270 1103 K C 0.380 177.045 176.600 0.107 0.000 1.011 1103 K CA -0.282 56.044 56.287 0.065 0.000 0.953 1103 K CB 0.713 33.241 32.500 0.046 0.000 0.956 1103 K HN 0.540 nan 8.250 nan 0.000 0.477 1104 A N 2.496 125.389 122.820 0.121 0.000 2.409 1104 A HA 0.006 4.326 4.320 0.001 0.000 0.262 1104 A C 0.182 177.821 177.584 0.093 0.000 1.113 1104 A CA -0.298 51.868 52.037 0.216 0.000 0.790 1104 A CB 0.098 19.206 19.000 0.181 0.000 1.046 1104 A HN 0.682 nan 8.150 nan 0.000 0.496 1105 D N 2.463 122.831 120.400 -0.053 0.000 2.349 1105 D HA 0.038 4.679 4.640 0.001 0.000 0.266 1105 D C 0.788 176.996 176.300 -0.153 0.000 1.293 1105 D CA 0.205 54.064 54.000 -0.235 0.000 0.926 1105 D CB 0.521 41.004 40.800 -0.529 0.000 1.090 1105 D HN 0.559 nan 8.370 nan 0.000 0.502 1106 K N 1.138 121.507 120.400 -0.052 0.000 2.365 1106 K HA -0.059 4.262 4.320 0.001 0.000 0.199 1106 K C 1.440 178.032 176.600 -0.013 0.000 1.045 1106 K CA 0.546 56.827 56.287 -0.009 0.000 0.962 1106 K CB 0.140 32.643 32.500 0.005 0.000 0.759 1106 K HN 0.287 nan 8.250 nan 0.000 0.469 1107 S N 0.758 116.434 115.700 -0.039 0.000 2.679 1107 S HA 0.085 4.556 4.470 0.001 0.000 0.233 1107 S C 0.014 174.594 174.600 -0.033 0.000 0.951 1107 S CA -0.631 57.554 58.200 -0.025 0.000 0.973 1107 S CB -0.288 62.898 63.200 -0.023 0.000 0.778 1107 S HN 0.093 nan 8.310 nan 0.000 0.477 1108 N N 2.007 120.679 118.700 -0.046 0.000 2.448 1108 N HA 0.380 5.120 4.740 0.001 0.000 0.279 1108 N C -2.138 173.436 175.510 0.106 0.000 1.025 1108 N CA -2.164 50.879 53.050 -0.013 0.000 0.898 1108 N CB 2.165 40.552 38.487 -0.167 0.000 1.303 1108 N HN -0.094 nan 8.380 nan 0.000 0.495 1109 P HA -0.121 nan 4.420 nan 0.000 0.217 1109 P C 1.048 178.565 177.300 0.360 0.000 1.150 1109 P CA 1.132 64.375 63.100 0.238 0.000 0.832 1109 P CB 0.192 32.018 31.700 0.210 0.000 0.787 1110 S N -1.817 114.092 115.700 0.348 0.000 2.447 1110 S HA -0.141 4.329 4.470 0.001 0.000 0.233 1110 S C 0.832 175.575 174.600 0.239 0.000 1.006 1110 S CA 0.436 58.853 58.200 0.361 0.000 0.957 1110 S CB -1.482 61.881 63.200 0.272 0.000 0.773 1110 S HN 0.213 nan 8.310 nan 0.000 0.507 1111 H N 1.278 120.404 119.070 0.094 0.000 2.800 1111 H HA 0.496 5.052 4.556 0.001 0.000 0.291 1111 H C -0.344 175.001 175.328 0.028 0.000 1.076 1111 H CA -0.493 55.586 56.048 0.053 0.000 1.452 1111 H CB 0.230 30.021 29.762 0.047 0.000 1.461 1111 H HN 0.328 nan 8.280 nan 0.000 0.488 1112 I N 3.215 123.818 120.570 0.055 0.000 2.321 1112 I HA 0.366 4.536 4.170 0.001 0.000 0.291 1112 I C 1.053 177.187 176.117 0.029 0.000 0.998 1112 I CA -0.470 60.843 61.300 0.020 0.000 1.227 1112 I CB 1.555 39.532 38.000 -0.038 0.000 1.368 1112 I HN 0.586 nan 8.210 nan 0.000 0.466 1113 G N 3.892 112.716 108.800 0.040 0.000 2.471 1113 G HA2 0.691 4.651 3.960 0.001 0.000 0.332 1113 G HA3 0.691 4.651 3.960 0.001 0.000 0.332 1113 G C -0.708 174.203 174.900 0.018 0.000 1.176 1113 G CA -0.749 44.373 45.100 0.037 0.000 0.949 1113 G HN 0.737 nan 8.290 nan 0.000 0.488 1114 A N 0.330 123.160 122.820 0.017 0.000 2.404 1114 A HA 0.390 4.711 4.320 0.001 0.000 0.273 1114 A C 1.203 178.793 177.584 0.011 0.000 1.144 1114 A CA -0.270 51.773 52.037 0.010 0.000 0.806 1114 A CB 0.593 19.599 19.000 0.010 0.000 1.080 1114 A HN 0.563 nan 8.150 nan 0.000 0.509 1115 Q N 1.273 121.077 119.800 0.007 0.000 2.245 1115 Q HA 0.074 4.415 4.340 0.001 0.000 0.201 1115 Q C 0.050 176.054 176.000 0.006 0.000 0.955 1115 Q CA 1.270 57.077 55.803 0.007 0.000 0.870 1115 Q CB -0.109 28.631 28.738 0.004 0.000 0.945 1115 Q HN 0.864 nan 8.270 nan 0.000 0.461 1116 M N -0.075 119.528 119.600 0.005 0.000 2.618 1116 M HA 0.381 4.861 4.480 0.001 0.000 0.281 1116 M C -2.486 173.817 176.300 0.005 0.000 1.267 1116 M CA -2.138 53.165 55.300 0.005 0.000 0.845 1116 M CB 2.704 35.306 32.600 0.004 0.000 1.732 1116 M HN -0.262 nan 8.290 nan 0.000 0.461 1117 P HA 0.478 nan 4.420 nan 0.000 0.272 1117 P C -0.397 176.905 177.300 0.005 0.000 1.223 1117 P CA 0.195 63.299 63.100 0.005 0.000 0.784 1117 P CB 0.896 32.599 31.700 0.005 0.000 0.923 1118 G N 0.107 108.911 108.800 0.005 0.000 2.360 1118 G HA2 0.376 4.337 3.960 0.001 0.000 0.276 1118 G HA3 0.376 4.337 3.960 0.001 0.000 0.276 1118 G C -1.631 173.272 174.900 0.006 0.000 1.256 1118 G CA -0.415 44.688 45.100 0.005 0.000 0.890 1118 G HN 0.474 nan 8.290 nan 0.000 0.486 1119 S N -1.171 114.532 115.700 0.005 0.000 2.542 1119 S HA 0.654 5.124 4.470 0.001 0.000 0.293 1119 S C -0.247 174.356 174.600 0.004 0.000 1.089 1119 S CA -0.503 57.700 58.200 0.006 0.000 0.961 1119 S CB 1.930 65.135 63.200 0.007 0.000 1.062 1119 S HN 0.860 nan 8.310 nan 0.000 0.483 1120 V N 3.117 123.034 119.914 0.005 0.000 2.455 1120 V HA 0.175 4.295 4.120 0.001 0.000 0.273 1120 V C 0.977 177.073 176.094 0.003 0.000 1.045 1120 V CA 0.171 62.472 62.300 0.003 0.000 0.976 1120 V CB 0.663 32.487 31.823 0.003 0.000 0.993 1120 V HN 1.078 nan 8.190 nan 0.000 0.475 1121 T N 2.969 117.524 114.554 0.002 0.000 2.983 1121 T HA 0.117 4.467 4.350 0.001 0.000 0.250 1121 T C 0.532 175.233 174.700 0.001 0.000 1.037 1121 T CA 0.396 62.497 62.100 0.002 0.000 1.142 1121 T CB 0.308 69.177 68.868 0.001 0.000 0.876 1121 T HN 0.692 nan 8.240 nan 0.000 0.455 1122 E N 0.878 121.078 120.200 -0.000 0.000 2.349 1122 E HA 0.357 4.707 4.350 0.001 0.000 0.290 1122 E C -1.759 174.839 176.600 -0.002 0.000 0.901 1122 E CA -0.305 56.094 56.400 -0.001 0.000 0.800 1122 E CB 2.553 32.252 29.700 -0.001 0.000 1.303 1122 E HN 0.003 nan 8.360 nan 0.000 0.397 1123 V N 5.942 125.855 119.914 -0.001 0.000 2.439 1123 V HA 0.177 4.298 4.120 0.001 0.000 0.271 1123 V C 0.483 176.576 176.094 -0.003 0.000 1.040 1123 V CA 0.634 62.932 62.300 -0.003 0.000 1.002 1123 V CB 0.682 32.504 31.823 -0.002 0.000 1.000 1123 V HN 0.698 nan 8.190 nan 0.000 0.477 1124 K N 4.635 125.031 120.400 -0.005 0.000 2.353 1124 K HA 0.222 4.542 4.320 0.001 0.000 0.195 1124 K C -0.065 176.532 176.600 -0.004 0.000 1.031 1124 K CA 0.525 56.810 56.287 -0.005 0.000 1.079 1124 K CB 0.982 33.478 32.500 -0.006 0.000 0.857 1124 K HN 0.710 nan 8.250 nan 0.000 0.535 1125 V N -1.691 118.219 119.914 -0.005 0.000 3.078 1125 V HA 0.587 4.708 4.120 0.001 0.000 0.311 1125 V C -0.461 175.631 176.094 -0.003 0.000 1.138 1125 V CA -1.029 61.269 62.300 -0.004 0.000 1.007 1125 V CB 1.909 33.729 31.823 -0.006 0.000 1.045 1125 V HN 0.106 nan 8.190 nan 0.000 0.432 1126 S N 0.773 116.473 115.700 -0.000 0.000 2.709 1126 S HA 0.809 5.279 4.470 0.001 0.000 0.302 1126 S C -0.317 174.285 174.600 0.002 0.000 1.127 1126 S CA -0.849 57.352 58.200 0.001 0.000 0.905 1126 S CB 1.526 64.727 63.200 0.002 0.000 1.151 1126 S HN 1.275 nan 8.310 nan 0.000 0.510 1127 V N 1.622 121.537 119.914 0.003 0.000 2.599 1127 V HA 0.464 4.584 4.120 0.001 0.000 0.300 1127 V C 1.635 177.734 176.094 0.009 0.000 1.034 1127 V CA 1.387 63.690 62.300 0.005 0.000 1.115 1127 V CB -0.336 31.489 31.823 0.004 0.000 0.934 1127 V HN 1.623 nan 8.190 nan 0.000 0.485 1128 G N 3.343 112.151 108.800 0.013 0.000 2.213 1128 G HA2 -0.218 3.742 3.960 0.001 0.000 0.236 1128 G HA3 -0.218 3.742 3.960 0.001 0.000 0.236 1128 G C 0.206 175.116 174.900 0.017 0.000 0.991 1128 G CA 0.219 45.329 45.100 0.016 0.000 0.629 1128 G HN 0.742 nan 8.290 nan 0.000 0.517 1129 E N 1.163 121.372 120.200 0.015 0.000 2.354 1129 E HA 0.491 4.842 4.350 0.001 0.000 0.269 1129 E C -0.129 176.484 176.600 0.021 0.000 1.036 1129 E CA 0.026 56.435 56.400 0.015 0.000 0.876 1129 E CB 0.446 30.152 29.700 0.010 0.000 1.009 1129 E HN 0.126 nan 8.360 nan 0.000 0.416 1130 T N 3.240 117.807 114.554 0.022 0.000 2.806 1130 T HA 0.359 4.710 4.350 0.001 0.000 0.290 1130 T C -0.489 174.227 174.700 0.025 0.000 0.966 1130 T CA -0.682 61.435 62.100 0.029 0.000 1.060 1130 T CB 0.812 69.697 68.868 0.028 0.000 0.927 1130 T HN 0.365 nan 8.240 nan 0.000 0.485 1131 V N 1.131 121.064 119.914 0.032 0.000 2.864 1131 V HA 0.688 4.808 4.120 0.001 0.000 0.314 1131 V C -0.328 175.786 176.094 0.033 0.000 1.073 1131 V CA -1.329 60.985 62.300 0.023 0.000 0.956 1131 V CB 1.760 33.587 31.823 0.007 0.000 1.023 1131 V HN 0.665 nan 8.190 nan 0.000 0.435 1132 K N 1.775 122.189 120.400 0.023 0.000 2.090 1132 K HA 0.769 5.089 4.320 0.001 0.000 0.250 1132 K C 0.297 176.909 176.600 0.020 0.000 1.004 1132 K CA -0.064 56.240 56.287 0.029 0.000 0.919 1132 K CB 1.481 33.993 32.500 0.021 0.000 1.045 1132 K HN 1.104 nan 8.250 nan 0.000 0.471 1133 A N 1.886 124.725 122.820 0.032 0.000 2.462 1133 A HA 0.109 4.430 4.320 0.001 0.000 0.243 1133 A C 0.112 177.695 177.584 -0.000 0.000 1.076 1133 A CA -0.044 52.003 52.037 0.017 0.000 0.773 1133 A CB -0.139 18.889 19.000 0.046 0.000 1.010 1133 A HN 0.910 nan 8.150 nan 0.000 0.493 1134 N N -1.021 117.667 118.700 -0.020 0.000 2.909 1134 N HA -0.164 4.576 4.740 0.001 0.000 0.242 1134 N C 0.081 175.580 175.510 -0.018 0.000 0.975 1134 N CA 1.657 54.696 53.050 -0.019 0.000 0.921 1134 N CB -1.429 37.054 38.487 -0.006 0.000 1.112 1134 N HN 0.937 nan 8.380 nan 0.000 0.581 1135 Q N 1.636 121.424 119.800 -0.021 0.000 2.304 1135 Q HA 0.219 4.559 4.340 0.001 0.000 0.260 1135 Q C -2.278 173.708 176.000 -0.024 0.000 0.965 1135 Q CA -1.412 54.381 55.803 -0.017 0.000 0.898 1135 Q CB 0.867 29.598 28.738 -0.012 0.000 1.196 1135 Q HN 0.073 nan 8.270 nan 0.000 0.402 1136 P HA -0.079 nan 4.420 nan 0.000 0.263 1136 P C -0.392 176.896 177.300 -0.020 0.000 1.195 1136 P CA 0.693 63.782 63.100 -0.018 0.000 0.762 1136 P CB 0.629 32.322 31.700 -0.012 0.000 0.799 1137 L N 2.120 123.328 121.223 -0.025 0.000 2.609 1137 L HA 0.308 4.648 4.340 0.001 0.000 0.230 1137 L C 0.623 177.482 176.870 -0.019 0.000 1.064 1137 L CA 0.344 55.169 54.840 -0.025 0.000 0.873 1137 L CB 0.153 42.190 42.059 -0.036 0.000 1.139 1137 L HN 0.267 nan 8.230 nan 0.000 0.490 1138 L N -0.101 121.111 121.223 -0.018 0.000 2.545 1138 L HA 0.507 4.847 4.340 0.001 0.000 0.258 1138 L C -1.422 175.441 176.870 -0.012 0.000 0.942 1138 L CA -0.085 54.747 54.840 -0.014 0.000 0.855 1138 L CB 2.505 44.554 42.059 -0.017 0.000 1.374 1138 L HN -0.138 nan 8.230 nan 0.000 0.411 1139 I N 2.300 122.865 120.570 -0.008 0.000 2.433 1139 I HA 0.639 4.809 4.170 0.001 0.000 0.292 1139 I C -0.094 176.020 176.117 -0.004 0.000 1.001 1139 I CA -0.375 60.922 61.300 -0.006 0.000 1.119 1139 I CB 2.128 40.125 38.000 -0.004 0.000 1.289 1139 I HN 0.680 nan 8.210 nan 0.000 0.438 1140 T N 1.316 115.868 114.554 -0.004 0.000 2.930 1140 T HA 0.607 4.958 4.350 0.001 0.000 0.290 1140 T C -0.757 173.943 174.700 -0.001 0.000 1.052 1140 T CA -0.815 61.284 62.100 -0.002 0.000 1.017 1140 T CB 2.297 71.164 68.868 -0.002 0.000 1.137 1140 T HN 0.646 nan 8.240 nan 0.000 0.511 1141 E N 0.010 120.211 120.200 0.001 0.000 2.244 1141 E HA 0.616 4.966 4.350 0.001 0.000 0.260 1141 E C 0.291 176.892 176.600 0.002 0.000 0.884 1141 E CA -0.901 55.500 56.400 0.001 0.000 0.777 1141 E CB 1.287 30.988 29.700 0.002 0.000 1.197 1141 E HN 0.795 nan 8.360 nan 0.000 0.416 1142 A N 4.818 127.639 122.820 0.002 0.000 1.884 1142 A HA 0.268 4.589 4.320 0.001 0.000 0.212 1142 A C 0.835 178.420 177.584 0.003 0.000 1.265 1142 A CA 0.425 52.464 52.037 0.003 0.000 0.626 1142 A CB 0.264 19.265 19.000 0.002 0.000 0.943 1142 A HN 0.652 nan 8.150 nan 0.000 0.466 1143 M N -0.361 119.240 119.600 0.002 0.000 2.353 1143 M HA 0.280 4.760 4.480 0.001 0.000 0.218 1143 M C -0.678 175.623 176.300 0.002 0.000 1.044 1143 M CA -0.170 55.131 55.300 0.002 0.000 0.615 1143 M CB 0.989 33.590 32.600 0.002 0.000 1.531 1143 M HN 0.382 nan 8.290 nan 0.000 0.378 1144 K N -0.534 119.868 120.400 0.002 0.000 3.349 1144 K HA -0.157 4.163 4.320 0.001 0.000 0.310 1144 K C -0.588 176.013 176.600 0.001 0.000 1.267 1144 K CA 0.913 57.201 56.287 0.002 0.000 0.920 1144 K CB -1.034 31.467 32.500 0.002 0.000 1.240 1144 K HN 0.455 nan 8.250 nan 0.000 0.453 1145 M N 0.972 120.573 119.600 0.001 0.000 2.321 1145 M HA 0.267 4.747 4.480 0.001 0.000 0.315 1145 M C -0.279 176.021 176.300 0.000 0.000 1.052 1145 M CA -0.155 55.145 55.300 0.001 0.000 0.936 1145 M CB 1.633 34.234 32.600 0.001 0.000 1.639 1145 M HN -0.019 nan 8.290 nan 0.000 0.433 1146 E N 2.540 122.740 120.200 -0.000 0.000 2.115 1146 E HA 0.354 4.704 4.350 0.001 0.000 0.282 1146 E C -0.398 176.200 176.600 -0.002 0.000 0.987 1146 E CA -0.251 56.149 56.400 -0.001 0.000 0.797 1146 E CB 1.180 30.879 29.700 -0.001 0.000 1.086 1146 E HN 0.563 nan 8.360 nan 0.000 0.397 1147 T N 0.127 114.679 114.554 -0.003 0.000 2.867 1147 T HA 0.342 4.693 4.350 0.001 0.000 0.282 1147 T C 0.264 174.960 174.700 -0.006 0.000 1.000 1147 T CA -1.004 61.093 62.100 -0.004 0.000 1.042 1147 T CB 1.539 70.404 68.868 -0.004 0.000 0.973 1147 T HN 0.360 nan 8.240 nan 0.000 0.465 1148 T N 1.240 115.789 114.554 -0.008 0.000 2.756 1148 T HA 0.554 4.904 4.350 0.001 0.000 0.290 1148 T C -0.137 174.554 174.700 -0.016 0.000 0.985 1148 T CA -0.899 61.194 62.100 -0.011 0.000 0.955 1148 T CB -0.256 68.606 68.868 -0.010 0.000 0.930 1148 T HN 0.598 nan 8.240 nan 0.000 0.451 1149 I N 4.187 124.746 120.570 -0.019 0.000 2.396 1149 I HA 0.225 4.395 4.170 0.001 0.000 0.289 1149 I C 0.680 176.775 176.117 -0.036 0.000 1.056 1149 I CA -0.214 61.069 61.300 -0.027 0.000 1.365 1149 I CB 0.840 38.824 38.000 -0.027 0.000 1.407 1149 I HN 0.639 nan 8.210 nan 0.000 0.509 1150 Q N 4.618 124.390 119.800 -0.046 0.000 2.297 1150 Q HA 0.687 5.028 4.340 0.001 0.000 0.268 1150 Q C -0.447 175.497 176.000 -0.093 0.000 1.045 1150 Q CA -1.050 54.719 55.803 -0.056 0.000 0.861 1150 Q CB 2.055 30.767 28.738 -0.044 0.000 1.344 1150 Q HN 0.754 nan 8.270 nan 0.000 0.452 1151 A N 2.443 125.200 122.820 -0.104 0.000 2.454 1151 A HA 0.215 4.536 4.320 0.001 0.000 0.260 1151 A C -1.619 175.835 177.584 -0.216 0.000 1.106 1151 A CA -1.046 50.884 52.037 -0.179 0.000 0.780 1151 A CB -0.118 18.803 19.000 -0.131 0.000 1.044 1151 A HN 0.565 nan 8.150 nan 0.000 0.498 1152 P HA -0.016 nan 4.420 nan 0.000 0.217 1152 P C -0.049 177.145 177.300 -0.177 0.000 1.151 1152 P CA 1.255 64.163 63.100 -0.319 0.000 0.828 1152 P CB -0.111 31.308 31.700 -0.469 0.000 0.788 1153 F N -2.264 117.694 119.950 0.013 0.000 2.626 1153 F HA 0.511 5.040 4.527 0.003 0.000 0.311 1153 F C -0.541 175.265 175.800 0.011 0.000 1.088 1153 F CA -2.343 55.664 58.000 0.012 0.000 0.949 1153 F CB 0.032 39.040 39.000 0.013 0.000 1.322 1153 F HN -0.370 nan 8.300 nan 0.000 0.461 1154 D N 1.157 121.727 120.400 0.284 0.000 2.450 1154 D HA 0.440 5.080 4.640 0.001 0.000 0.247 1154 D C 0.334 176.784 176.300 0.250 0.000 1.162 1154 D CA 1.294 55.406 54.000 0.188 0.000 0.879 1154 D CB 1.149 42.016 40.800 0.112 0.000 1.163 1154 D HN 0.989 nan 8.370 nan 0.000 0.472 1155 G N 0.378 109.294 108.800 0.193 0.000 2.435 1155 G HA2 0.406 4.367 3.960 0.001 0.000 0.296 1155 G HA3 0.406 4.367 3.960 0.001 0.000 0.296 1155 G C -1.245 173.725 174.900 0.117 0.000 1.240 1155 G CA -0.394 44.816 45.100 0.184 0.000 0.872 1155 G HN 0.431 nan 8.290 nan 0.000 0.480 1156 V N -1.421 118.560 119.914 0.113 0.000 2.531 1156 V HA 0.744 4.865 4.120 0.001 0.000 0.301 1156 V C -0.277 175.856 176.094 0.065 0.000 1.034 1156 V CA -1.024 61.319 62.300 0.072 0.000 0.865 1156 V CB 1.309 33.166 31.823 0.057 0.000 0.995 1156 V HN 0.677 nan 8.190 nan 0.000 0.424 1157 I N 4.159 124.753 120.570 0.039 0.000 2.587 1157 I HA 0.279 4.450 4.170 0.001 0.000 0.284 1157 I C 1.181 177.311 176.117 0.022 0.000 1.134 1157 I CA 0.554 61.868 61.300 0.023 0.000 1.410 1157 I CB 0.953 38.958 38.000 0.008 0.000 1.392 1157 I HN 0.762 nan 8.210 nan 0.000 0.545 1158 K N 4.419 124.831 120.400 0.019 0.000 2.365 1158 K HA 0.189 4.509 4.320 0.001 0.000 0.195 1158 K C -0.420 176.181 176.600 0.003 0.000 1.079 1158 K CA 0.544 56.841 56.287 0.018 0.000 0.979 1158 K CB 0.519 33.037 32.500 0.030 0.000 0.929 1158 K HN 0.715 nan 8.250 nan 0.000 0.523 1159 Q N -0.303 119.489 119.800 -0.013 0.000 2.281 1159 Q HA 0.404 4.744 4.340 0.001 0.000 0.263 1159 Q C -1.385 174.598 176.000 -0.027 0.000 0.989 1159 Q CA -0.885 54.906 55.803 -0.020 0.000 0.852 1159 Q CB 1.970 30.693 28.738 -0.026 0.000 1.337 1159 Q HN -0.194 nan 8.270 nan 0.000 0.418 1160 V N 2.856 122.760 119.914 -0.017 0.000 2.370 1160 V HA 0.227 4.347 4.120 0.001 0.000 0.279 1160 V C 0.592 176.678 176.094 -0.013 0.000 1.029 1160 V CA -0.191 62.099 62.300 -0.017 0.000 0.870 1160 V CB 1.197 33.014 31.823 -0.010 0.000 0.984 1160 V HN 1.036 nan 8.190 nan 0.000 0.451 1161 T N 3.166 117.711 114.554 -0.016 0.000 3.054 1161 T HA 0.083 4.434 4.350 0.001 0.000 0.259 1161 T C 0.503 175.202 174.700 -0.001 0.000 1.092 1161 T CA 0.717 62.811 62.100 -0.009 0.000 1.121 1161 T CB 0.221 69.082 68.868 -0.012 0.000 0.912 1161 T HN 0.616 nan 8.240 nan 0.000 0.489 1162 V N -0.787 119.126 119.914 -0.002 0.000 3.113 1162 V HA 0.684 4.804 4.120 0.001 0.000 0.316 1162 V C -0.809 175.287 176.094 0.003 0.000 1.125 1162 V CA -1.399 60.902 62.300 0.002 0.000 1.026 1162 V CB 2.056 33.880 31.823 0.002 0.000 1.080 1162 V HN -0.018 nan 8.190 nan 0.000 0.444 1163 N N 0.748 119.452 118.700 0.007 0.000 2.453 1163 N HA 0.425 5.165 4.740 0.001 0.000 0.290 1163 N C -1.095 174.419 175.510 0.007 0.000 1.250 1163 N CA -0.750 52.305 53.050 0.007 0.000 0.815 1163 N CB 1.454 39.948 38.487 0.010 0.000 1.381 1163 N HN 0.776 nan 8.380 nan 0.000 0.510 1164 N N 0.345 119.049 118.700 0.007 0.000 2.359 1164 N HA 0.082 4.823 4.740 0.001 0.000 0.261 1164 N C 1.304 176.820 175.510 0.009 0.000 1.267 1164 N CA 1.146 54.200 53.050 0.007 0.000 0.864 1164 N CB 0.113 38.603 38.487 0.006 0.000 1.063 1164 N HN 0.845 nan 8.380 nan 0.000 0.474 1165 G N 1.382 110.187 108.800 0.009 0.000 2.213 1165 G HA2 -0.255 3.705 3.960 0.001 0.000 0.236 1165 G HA3 -0.255 3.705 3.960 0.001 0.000 0.236 1165 G C -0.298 174.611 174.900 0.015 0.000 0.991 1165 G CA -0.136 44.971 45.100 0.011 0.000 0.629 1165 G HN 0.584 nan 8.290 nan 0.000 0.517 1166 D N 1.878 122.286 120.400 0.014 0.000 2.414 1166 D HA 0.467 5.107 4.640 0.001 0.000 0.242 1166 D C 1.208 177.516 176.300 0.013 0.000 1.129 1166 D CA 1.144 55.154 54.000 0.016 0.000 0.885 1166 D CB 1.134 41.942 40.800 0.014 0.000 1.198 1166 D HN 0.522 nan 8.370 nan 0.000 0.437 1167 T N -0.984 113.579 114.554 0.015 0.000 2.922 1167 T HA 0.667 5.018 4.350 0.001 0.000 0.285 1167 T C 0.372 175.077 174.700 0.009 0.000 1.005 1167 T CA -0.838 61.269 62.100 0.012 0.000 1.061 1167 T CB 0.523 69.400 68.868 0.014 0.000 1.007 1167 T HN 0.386 nan 8.240 nan 0.000 0.502 1168 I N -0.933 119.642 120.570 0.008 0.000 2.828 1168 I HA 0.880 5.051 4.170 0.001 0.000 0.302 1168 I C -0.546 175.575 176.117 0.007 0.000 1.101 1168 I CA -1.781 59.523 61.300 0.007 0.000 1.031 1168 I CB 1.970 39.974 38.000 0.006 0.000 1.231 1168 I HN 0.884 nan 8.210 nan 0.000 0.427 1169 A N 2.345 125.170 122.820 0.008 0.000 2.356 1169 A HA 0.721 5.041 4.320 0.001 0.000 0.323 1169 A C -0.024 177.566 177.584 0.010 0.000 1.119 1169 A CA -0.707 51.335 52.037 0.008 0.000 0.790 1169 A CB 1.087 20.091 19.000 0.007 0.000 1.273 1169 A HN 0.770 nan 8.150 nan 0.000 0.452 1170 T N 1.341 115.901 114.554 0.009 0.000 2.765 1170 T HA 0.358 4.708 4.350 0.001 0.000 0.275 1170 T C 1.418 176.127 174.700 0.015 0.000 1.007 1170 T CA 1.941 64.047 62.100 0.011 0.000 1.175 1170 T CB -0.085 68.788 68.868 0.009 0.000 0.993 1170 T HN 2.126 nan 8.240 nan 0.000 0.510 1171 G N 3.239 112.050 108.800 0.019 0.000 2.201 1171 G HA2 -0.185 3.775 3.960 0.001 0.000 0.212 1171 G HA3 -0.185 3.775 3.960 0.001 0.000 0.212 1171 G C -0.209 174.711 174.900 0.034 0.000 0.994 1171 G CA -0.424 44.692 45.100 0.026 0.000 0.644 1171 G HN 0.686 nan 8.290 nan 0.000 0.508 1172 D N 0.684 121.101 120.400 0.028 0.000 2.424 1172 D HA 0.379 5.019 4.640 0.001 0.000 0.244 1172 D C 0.778 177.099 176.300 0.035 0.000 1.134 1172 D CA -0.255 53.763 54.000 0.031 0.000 0.881 1172 D CB 1.555 42.367 40.800 0.020 0.000 1.191 1172 D HN 0.309 nan 8.370 nan 0.000 0.445 1173 L N 2.492 123.741 121.223 0.044 0.000 2.453 1173 L HA 0.048 4.388 4.340 0.001 0.000 0.272 1173 L C 0.359 177.227 176.870 -0.002 0.000 1.182 1173 L CA 0.467 55.323 54.840 0.027 0.000 0.858 1173 L CB 0.318 42.389 42.059 0.020 0.000 1.120 1173 L HN 0.449 nan 8.230 nan 0.000 0.474 1174 L N 4.669 125.882 121.223 -0.016 0.000 2.586 1174 L HA 0.398 4.739 4.340 0.001 0.000 0.204 1174 L C -0.112 176.737 176.870 -0.035 0.000 1.053 1174 L CA -0.055 54.773 54.840 -0.020 0.000 0.856 1174 L CB 0.223 42.273 42.059 -0.015 0.000 1.192 1174 L HN 0.451 nan 8.230 nan 0.000 0.484 1175 I N -0.647 119.893 120.570 -0.050 0.000 2.802 1175 I HA 0.249 4.419 4.170 0.001 0.000 0.298 1175 I C -0.788 175.275 176.117 -0.090 0.000 1.176 1175 I CA -0.215 61.049 61.300 -0.059 0.000 1.025 1175 I CB 2.720 40.690 38.000 -0.050 0.000 1.243 1175 I HN -0.054 nan 8.210 nan 0.000 0.424 1176 E N 6.334 126.483 120.200 -0.085 0.000 2.191 1176 E HA 0.600 4.950 4.350 0.001 0.000 0.263 1176 E C -1.596 175.005 176.600 0.001 0.000 0.881 1176 E CA -0.672 55.680 56.400 -0.082 0.000 0.757 1176 E CB 1.400 31.016 29.700 -0.140 0.000 1.147 1176 E HN 0.503 nan 8.360 nan 0.000 0.414 1177 I N 0.929 121.539 120.570 0.066 0.000 2.730 1177 I HA 0.544 4.715 4.170 0.001 0.000 0.298 1177 I C -0.515 175.796 176.117 0.324 0.000 1.089 1177 I CA -0.970 60.419 61.300 0.148 0.000 1.041 1177 I CB 1.292 39.350 38.000 0.096 0.000 1.235 1177 I HN 0.566 nan 8.210 nan 0.000 0.423 1178 E N 0.000 120.356 120.200 0.259 0.000 2.725 1178 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1178 E CA 0.000 56.497 56.400 0.161 0.000 0.976 1178 E CB 0.000 29.744 29.700 0.073 0.000 0.812 1178 E HN 0.000 nan 8.360 nan 0.000 0.440