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_D 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 RIYIKDENXX XXXXXKPKAD 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 0.000 176.016 176.000 0.026 0.000 1.003 36 Q CA 0.000 55.819 55.803 0.026 0.000 1.022 36 Q CB 0.000 28.754 28.738 0.026 0.000 1.108 37 I N 3.199 123.785 120.570 0.026 0.000 2.828 37 I HA -0.077 4.091 4.170 -0.003 0.000 0.292 37 I C 0.582 176.720 176.117 0.034 0.000 1.206 37 I CA 0.409 61.727 61.300 0.029 0.000 1.420 37 I CB 0.468 38.484 38.000 0.027 0.000 1.368 37 I HN 0.185 nan 8.210 nan 0.000 0.556 38 K N 4.920 125.341 120.400 0.035 0.000 2.436 38 K HA 0.234 4.552 4.320 -0.003 0.000 0.198 38 K C 0.234 176.860 176.600 0.044 0.000 1.174 38 K CA 0.443 56.752 56.287 0.037 0.000 0.951 38 K CB 0.363 32.882 32.500 0.031 0.000 1.040 38 K HN 0.417 nan 8.250 nan 0.000 0.536 39 K N 1.020 121.449 120.400 0.050 0.000 2.507 39 K HA 0.373 4.691 4.320 -0.003 0.000 0.252 39 K C -1.518 175.130 176.600 0.080 0.000 0.943 39 K CA -0.471 55.853 56.287 0.062 0.000 0.808 39 K CB 1.394 33.928 32.500 0.058 0.000 1.142 39 K HN -0.060 nan 8.250 nan 0.000 0.426 40 L N 5.796 127.083 121.223 0.107 0.000 2.329 40 L HA 0.575 4.913 4.340 -0.003 0.000 0.279 40 L C -1.455 175.531 176.870 0.193 0.000 1.014 40 L CA -0.923 54.001 54.840 0.141 0.000 0.814 40 L CB 1.345 43.499 42.059 0.158 0.000 1.257 40 L HN 0.705 nan 8.230 nan 0.000 0.424 41 L N 4.970 126.310 121.223 0.196 0.000 2.329 41 L HA 0.614 4.952 4.340 -0.003 0.000 0.279 41 L C -1.151 175.869 176.870 0.251 0.000 1.014 41 L CA -0.627 54.359 54.840 0.243 0.000 0.814 41 L CB 2.013 44.189 42.059 0.195 0.000 1.257 41 L HN 0.397 nan 8.230 nan 0.000 0.424 42 V N 4.658 124.745 119.914 0.288 0.000 2.350 42 V HA 0.422 4.540 4.120 -0.003 0.000 0.276 42 V C 0.596 176.758 176.094 0.113 0.000 1.028 42 V CA -0.387 61.982 62.300 0.116 0.000 0.860 42 V CB 1.295 33.006 31.823 -0.187 0.000 0.990 42 V HN 0.868 nan 8.190 nan 0.000 0.453 43 A N 5.021 127.901 122.820 0.100 0.000 3.118 43 A HA 0.566 4.884 4.320 -0.003 0.000 0.256 43 A C 0.239 177.792 177.584 -0.052 0.000 1.667 43 A CA 0.106 52.175 52.037 0.054 0.000 1.338 43 A CB -0.771 18.263 19.000 0.057 0.000 1.127 43 A HN 0.917 nan 8.150 nan 0.000 0.634 44 N N -0.759 117.865 118.700 -0.126 0.000 3.339 44 N HA 0.547 5.285 4.740 -0.003 0.000 0.275 44 N C -0.762 174.357 175.510 -0.651 0.000 1.514 44 N CA -0.796 52.023 53.050 -0.386 0.000 0.879 44 N CB 1.007 39.294 38.487 -0.333 0.000 1.557 44 N HN 0.574 nan 8.380 nan 0.000 0.524 45 R N -0.153 119.826 120.500 -0.869 0.000 2.906 45 R HA 0.819 5.157 4.340 -0.003 0.000 0.258 45 R C 0.215 176.075 176.300 -0.732 0.000 1.156 45 R CA -0.322 55.053 56.100 -1.209 0.000 0.996 45 R CB 0.336 29.942 30.300 -1.156 0.000 1.259 45 R HN 0.719 nan 8.270 nan 0.000 0.462 46 G N 0.854 109.364 108.800 -0.484 0.000 2.601 46 G HA2 -0.431 3.527 3.960 -0.003 0.000 0.261 46 G HA3 -0.431 3.527 3.960 -0.003 0.000 0.261 46 G C 0.639 175.469 174.900 -0.117 0.000 1.289 46 G CA 0.899 45.904 45.100 -0.158 0.000 0.920 46 G HN 1.004 nan 8.290 nan 0.000 0.571 47 E N -0.515 119.661 120.200 -0.039 0.000 2.130 47 E HA -0.090 4.258 4.350 -0.003 0.000 0.196 47 E C 2.437 179.004 176.600 -0.056 0.000 0.998 47 E CA 2.304 58.705 56.400 0.002 0.000 0.806 47 E CB -0.150 29.591 29.700 0.069 0.000 0.738 47 E HN 0.948 nan 8.360 nan 0.000 0.459 48 I N 0.525 121.010 120.570 -0.142 0.000 2.315 48 I HA -0.053 4.116 4.170 -0.003 0.000 0.248 48 I C 2.215 178.101 176.117 -0.385 0.000 1.117 48 I CA 1.344 62.505 61.300 -0.230 0.000 1.404 48 I CB -0.526 37.222 38.000 -0.421 0.000 1.071 48 I HN 0.232 nan 8.210 nan 0.000 0.419 49 A N 0.663 123.202 122.820 -0.469 0.000 1.873 49 A HA -0.149 4.169 4.320 -0.003 0.000 0.215 49 A C 2.306 179.430 177.584 -0.767 0.000 1.186 49 A CA 1.980 53.575 52.037 -0.737 0.000 0.616 49 A CB -1.039 17.562 19.000 -0.665 0.000 0.823 49 A HN 0.483 nan 8.150 nan 0.000 0.442 50 I N -0.898 119.524 120.570 -0.247 0.000 2.264 50 I HA -0.271 3.897 4.170 -0.003 0.000 0.248 50 I C 2.666 178.771 176.117 -0.021 0.000 1.111 50 I CA 1.701 63.013 61.300 0.020 0.000 1.382 50 I CB -0.248 37.803 38.000 0.085 0.000 1.060 50 I HN 0.294 nan 8.210 nan 0.000 0.418 51 R N 1.666 122.107 120.500 -0.099 0.000 2.073 51 R HA -0.114 4.224 4.340 -0.003 0.000 0.234 51 R C 2.055 178.291 176.300 -0.107 0.000 1.134 51 R CA 1.791 57.858 56.100 -0.055 0.000 0.952 51 R CB -0.642 29.645 30.300 -0.021 0.000 0.850 51 R HN 0.285 nan 8.270 nan 0.000 0.433 52 I N -0.330 120.069 120.570 -0.285 0.000 2.226 52 I HA -0.245 3.923 4.170 -0.003 0.000 0.245 52 I C 1.985 178.071 176.117 -0.051 0.000 1.100 52 I CA 1.389 62.517 61.300 -0.287 0.000 1.374 52 I CB -0.363 37.310 38.000 -0.545 0.000 1.057 52 I HN 0.119 nan 8.210 nan 0.000 0.413 53 F N 0.820 120.753 119.950 -0.028 0.000 2.126 53 F HA -0.228 4.297 4.527 -0.003 0.000 0.299 53 F C 2.845 178.654 175.800 0.015 0.000 1.096 53 F CA 0.903 58.907 58.000 0.007 0.000 1.255 53 F CB -0.357 38.655 39.000 0.021 0.000 0.997 53 F HN -0.074 nan 8.300 nan 0.000 0.479 54 R N 0.359 120.981 120.500 0.203 0.000 2.066 54 R HA -0.122 4.216 4.340 -0.003 0.000 0.232 54 R C 2.517 178.875 176.300 0.096 0.000 1.131 54 R CA 1.125 57.300 56.100 0.127 0.000 0.955 54 R CB -0.779 29.579 30.300 0.097 0.000 0.851 54 R HN 0.255 nan 8.270 nan 0.000 0.432 55 A N 1.488 124.355 122.820 0.078 0.000 1.865 55 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 55 A C 2.415 180.044 177.584 0.076 0.000 1.191 55 A CA 1.974 54.050 52.037 0.065 0.000 0.623 55 A CB -0.874 18.153 19.000 0.045 0.000 0.826 55 A HN 0.424 nan 8.150 nan 0.000 0.444 56 A N -0.344 122.535 122.820 0.098 0.000 1.908 56 A HA 0.112 4.430 4.320 -0.003 0.000 0.218 56 A C 2.490 180.127 177.584 0.089 0.000 1.181 56 A CA 2.290 54.391 52.037 0.106 0.000 0.627 56 A CB -1.008 18.085 19.000 0.154 0.000 0.818 56 A HN 1.170 nan 8.150 nan 0.000 0.445 57 A N -0.230 122.645 122.820 0.092 0.000 1.969 57 A HA -0.133 4.186 4.320 -0.003 0.000 0.218 57 A C 1.828 179.444 177.584 0.053 0.000 1.169 57 A CA 1.490 53.567 52.037 0.066 0.000 0.635 57 A CB -0.480 18.558 19.000 0.064 0.000 0.810 57 A HN 0.655 nan 8.150 nan 0.000 0.445 58 E N -0.290 119.944 120.200 0.056 0.000 2.268 58 E HA -0.066 4.282 4.350 -0.003 0.000 0.195 58 E C 0.864 177.490 176.600 0.043 0.000 0.995 58 E CA 0.688 57.117 56.400 0.047 0.000 0.836 58 E CB -0.186 29.543 29.700 0.048 0.000 0.763 58 E HN 0.628 nan 8.360 nan 0.000 0.491 59 L N 0.723 121.974 121.223 0.047 0.000 2.685 59 L HA 0.099 4.437 4.340 -0.003 0.000 0.233 59 L C 0.065 176.959 176.870 0.040 0.000 1.173 59 L CA -0.158 54.708 54.840 0.042 0.000 0.961 59 L CB 0.024 42.111 42.059 0.045 0.000 1.217 59 L HN 0.014 nan 8.230 nan 0.000 0.478 60 D N 1.514 121.937 120.400 0.039 0.000 2.751 60 D HA -0.195 4.443 4.640 -0.003 0.000 0.233 60 D C 0.008 176.330 176.300 0.036 0.000 1.149 60 D CA 0.887 54.907 54.000 0.034 0.000 0.682 60 D CB -0.455 40.362 40.800 0.028 0.000 1.068 60 D HN 0.336 nan 8.370 nan 0.000 0.429 61 I N 0.689 121.286 120.570 0.046 0.000 2.359 61 I HA 0.094 4.263 4.170 -0.003 0.000 0.294 61 I C 1.040 177.187 176.117 0.050 0.000 0.987 61 I CA -0.434 60.897 61.300 0.051 0.000 1.225 61 I CB 1.805 39.844 38.000 0.065 0.000 1.366 61 I HN -0.181 nan 8.210 nan 0.000 0.466 62 S N 3.275 119.001 115.700 0.042 0.000 2.579 62 S HA 0.248 4.716 4.470 -0.003 0.000 0.275 62 S C 0.087 174.711 174.600 0.041 0.000 1.345 62 S CA -0.373 57.844 58.200 0.029 0.000 1.031 62 S CB 0.549 63.766 63.200 0.028 0.000 0.892 62 S HN 0.739 nan 8.310 nan 0.000 0.529 63 T N -0.371 114.174 114.554 -0.015 0.000 2.885 63 T HA 0.729 5.077 4.350 -0.003 0.000 0.285 63 T C -0.861 173.781 174.700 -0.098 0.000 1.019 63 T CA -0.782 61.287 62.100 -0.052 0.000 1.010 63 T CB 1.254 69.964 68.868 -0.263 0.000 1.022 63 T HN 0.259 nan 8.240 nan 0.000 0.466 64 V N 1.496 121.429 119.914 0.032 0.000 2.525 64 V HA 0.752 4.871 4.120 -0.003 0.000 0.299 64 V C 0.286 176.522 176.094 0.237 0.000 1.034 64 V CA -1.049 61.316 62.300 0.109 0.000 0.863 64 V CB 1.218 33.172 31.823 0.219 0.000 0.999 64 V HN 1.340 nan 8.190 nan 0.000 0.423 65 A N 5.776 128.704 122.820 0.181 0.000 2.293 65 A HA 0.955 5.273 4.320 -0.003 0.000 0.302 65 A C -0.372 177.438 177.584 0.378 0.000 1.119 65 A CA -0.529 51.767 52.037 0.431 0.000 0.823 65 A CB 0.800 19.994 19.000 0.323 0.000 1.097 65 A HN 1.119 nan 8.150 nan 0.000 0.491 66 I N -0.645 120.169 120.570 0.408 0.000 2.509 66 I HA 0.832 5.001 4.170 -0.003 0.000 0.293 66 I C -0.954 175.391 176.117 0.379 0.000 1.020 66 I CA -0.924 60.523 61.300 0.245 0.000 1.088 66 I CB 1.803 39.860 38.000 0.094 0.000 1.267 66 I HN 0.738 nan 8.210 nan 0.000 0.430 67 Y N 2.686 123.033 120.300 0.079 0.000 2.581 67 Y HA 0.837 5.385 4.550 -0.003 0.000 0.345 67 Y C -0.359 175.466 175.900 -0.126 0.000 1.036 67 Y CA -0.956 57.188 58.100 0.073 0.000 1.042 67 Y CB 1.020 39.480 38.460 -0.001 0.000 1.289 67 Y HN 0.758 nan 8.280 nan 0.000 0.471 68 S N 0.350 116.098 115.700 0.080 0.000 2.730 68 S HA 0.331 4.799 4.470 -0.003 0.000 0.284 68 S C 0.012 174.742 174.600 0.217 0.000 1.153 68 S CA -0.411 57.801 58.200 0.019 0.000 0.995 68 S CB 1.083 64.326 63.200 0.072 0.000 1.058 68 S HN 0.782 nan 8.310 nan 0.000 0.552 69 N N 2.033 120.806 118.700 0.123 0.000 2.094 69 N HA -0.144 4.594 4.740 -0.003 0.000 0.191 69 N C 1.501 177.111 175.510 0.168 0.000 1.023 69 N CA 1.687 54.821 53.050 0.139 0.000 0.857 69 N CB -0.367 38.160 38.487 0.066 0.000 1.013 69 N HN 0.849 nan 8.380 nan 0.000 0.426 70 E N -0.239 120.077 120.200 0.193 0.000 2.489 70 E HA -0.024 4.324 4.350 -0.003 0.000 0.193 70 E C -0.147 176.621 176.600 0.279 0.000 1.057 70 E CA 0.597 57.133 56.400 0.227 0.000 0.866 70 E CB 0.117 29.968 29.700 0.251 0.000 0.916 70 E HN 0.239 nan 8.360 nan 0.000 0.500 71 D N 0.836 121.413 120.400 0.294 0.000 2.463 71 D HA 0.105 4.743 4.640 -0.003 0.000 0.224 71 D C 1.121 177.442 176.300 0.035 0.000 1.174 71 D CA -0.147 53.998 54.000 0.242 0.000 0.829 71 D CB 0.305 41.336 40.800 0.385 0.000 0.993 71 D HN -0.050 nan 8.370 nan 0.000 0.497 72 K N 0.027 120.443 120.400 0.027 0.000 2.281 72 K HA -0.052 4.266 4.320 -0.003 0.000 0.203 72 K C 0.938 177.376 176.600 -0.271 0.000 1.046 72 K CA 0.826 57.012 56.287 -0.169 0.000 0.938 72 K CB 0.167 32.666 32.500 -0.001 0.000 0.737 72 K HN 0.142 nan 8.250 nan 0.000 0.458 73 S N -0.943 114.700 115.700 -0.095 0.000 2.843 73 S HA 0.117 4.585 4.470 -0.003 0.000 0.249 73 S C 0.108 174.721 174.600 0.022 0.000 1.047 73 S CA -0.670 57.534 58.200 0.007 0.000 1.042 73 S CB 0.589 63.905 63.200 0.193 0.000 0.936 73 S HN 0.008 nan 8.310 nan 0.000 0.531 74 S N 1.485 117.111 115.700 -0.123 0.000 2.531 74 S HA 0.361 4.830 4.470 -0.003 0.000 0.279 74 S C 1.300 175.744 174.600 -0.262 0.000 1.305 74 S CA -0.672 57.496 58.200 -0.053 0.000 1.058 74 S CB 0.048 63.251 63.200 0.004 0.000 0.899 74 S HN 0.541 nan 8.310 nan 0.000 0.493 75 L N 4.706 125.837 121.223 -0.153 0.000 2.129 75 L HA -0.161 4.177 4.340 -0.003 0.000 0.212 75 L C 2.565 179.383 176.870 -0.087 0.000 1.087 75 L CA 1.774 56.511 54.840 -0.171 0.000 0.757 75 L CB -0.863 41.065 42.059 -0.218 0.000 0.896 75 L HN 0.881 nan 8.230 nan 0.000 0.434 76 H N 0.172 119.223 119.070 -0.031 0.000 2.456 76 H HA -0.208 4.347 4.556 -0.003 0.000 0.296 76 H C 2.170 177.544 175.328 0.076 0.000 1.079 76 H CA 1.221 57.319 56.048 0.083 0.000 1.322 76 H CB -0.314 29.491 29.762 0.072 0.000 1.388 76 H HN 0.336 nan 8.280 nan 0.000 0.538 77 R N 0.718 120.766 120.500 -0.753 0.000 2.096 77 R HA -0.150 4.189 4.340 -0.003 0.000 0.235 77 R C 1.116 177.134 176.300 -0.470 0.000 1.127 77 R CA 1.518 57.190 56.100 -0.713 0.000 0.968 77 R CB -0.314 29.300 30.300 -1.144 0.000 0.861 77 R HN 0.441 nan 8.270 nan 0.000 0.440 78 Y N -0.778 119.390 120.300 -0.219 0.000 2.466 78 Y HA 0.103 4.652 4.550 -0.003 0.000 0.272 78 Y C 1.794 177.614 175.900 -0.134 0.000 1.169 78 Y CA -0.081 57.912 58.100 -0.178 0.000 1.285 78 Y CB 0.440 38.792 38.460 -0.181 0.000 1.078 78 Y HN -0.056 nan 8.280 nan 0.000 0.523 79 K N 0.860 121.270 120.400 0.017 0.000 2.367 79 K HA 0.292 4.611 4.320 -0.003 0.000 0.194 79 K C 0.382 176.894 176.600 -0.147 0.000 1.027 79 K CA 0.073 56.378 56.287 0.031 0.000 1.075 79 K CB 0.195 32.806 32.500 0.184 0.000 0.845 79 K HN 0.153 nan 8.250 nan 0.000 0.529 80 A N -0.008 122.590 122.820 -0.369 0.000 2.269 80 A HA 0.299 4.617 4.320 -0.003 0.000 0.327 80 A C 0.202 177.595 177.584 -0.318 0.000 1.112 80 A CA -0.508 51.126 52.037 -0.673 0.000 0.865 80 A CB 0.527 18.859 19.000 -1.113 0.000 1.227 80 A HN 0.183 nan 8.150 nan 0.000 0.498 81 D N -0.067 120.172 120.400 -0.269 0.000 2.219 81 D HA -0.003 4.635 4.640 -0.003 0.000 0.205 81 D C -0.002 176.225 176.300 -0.121 0.000 0.970 81 D CA 1.427 55.344 54.000 -0.139 0.000 0.851 81 D CB 0.378 41.127 40.800 -0.086 0.000 0.943 81 D HN 0.647 nan 8.370 nan 0.000 0.488 82 E N -0.818 119.294 120.200 -0.147 0.000 2.366 82 E HA 0.364 4.713 4.350 -0.003 0.000 0.278 82 E C -1.165 175.340 176.600 -0.160 0.000 0.923 82 E CA -0.602 55.709 56.400 -0.148 0.000 0.761 82 E CB 2.477 32.158 29.700 -0.031 0.000 1.231 82 E HN -0.101 nan 8.360 nan 0.000 0.443 83 S N 0.964 116.498 115.700 -0.277 0.000 2.540 83 S HA 0.684 5.152 4.470 -0.003 0.000 0.275 83 S C -1.370 173.056 174.600 -0.290 0.000 1.123 83 S CA -0.828 57.318 58.200 -0.089 0.000 0.907 83 S CB 0.850 64.083 63.200 0.055 0.000 1.081 83 S HN 0.434 nan 8.310 nan 0.000 0.476 84 Y N 0.718 121.056 120.300 0.064 0.000 2.477 84 Y HA 0.539 5.088 4.550 -0.003 0.000 0.347 84 Y C -0.447 175.047 175.900 -0.678 0.000 0.981 84 Y CA -1.258 56.750 58.100 -0.153 0.000 1.033 84 Y CB 1.465 39.863 38.460 -0.103 0.000 1.245 84 Y HN 0.698 nan 8.280 nan 0.000 0.455 85 L N 4.083 124.958 121.223 -0.580 0.000 2.515 85 L HA 0.310 4.649 4.340 -0.003 0.000 0.281 85 L C -0.756 175.882 176.870 -0.386 0.000 1.131 85 L CA -0.122 54.252 54.840 -0.776 0.000 0.905 85 L CB -0.400 41.443 42.059 -0.360 0.000 1.246 85 L HN 0.452 nan 8.230 nan 0.000 0.463 86 V N 6.199 125.864 119.914 -0.415 0.000 2.439 86 V HA 0.507 4.625 4.120 -0.003 0.000 0.271 86 V C 0.944 176.895 176.094 -0.238 0.000 1.040 86 V CA 0.430 62.565 62.300 -0.275 0.000 1.002 86 V CB 0.046 31.693 31.823 -0.294 0.000 1.000 86 V HN 1.120 nan 8.190 nan 0.000 0.477 87 G N 4.079 112.781 108.800 -0.163 0.000 3.429 87 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.605 87 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.605 87 G C 0.671 175.509 174.900 -0.103 0.000 0.973 87 G CA 0.150 45.176 45.100 -0.123 0.000 0.774 87 G HN 0.930 nan 8.290 nan 0.000 0.422 88 S N 1.391 117.047 115.700 -0.072 0.000 2.359 88 S HA -0.198 4.270 4.470 -0.003 0.000 0.222 88 S C 1.938 176.512 174.600 -0.042 0.000 1.038 88 S CA 2.589 60.759 58.200 -0.049 0.000 1.051 88 S CB -0.088 63.093 63.200 -0.033 0.000 0.944 88 S HN 1.128 nan 8.310 nan 0.000 0.433 89 D N -0.129 120.245 120.400 -0.043 0.000 2.431 89 D HA 0.236 4.874 4.640 -0.003 0.000 0.213 89 D C 0.361 176.630 176.300 -0.051 0.000 1.130 89 D CA -0.294 53.683 54.000 -0.038 0.000 0.834 89 D CB -0.608 40.175 40.800 -0.028 0.000 0.985 89 D HN 0.353 nan 8.370 nan 0.000 0.504 90 L N 0.740 121.924 121.223 -0.066 0.000 2.516 90 L HA 0.246 4.584 4.340 -0.003 0.000 0.288 90 L C 1.641 178.458 176.870 -0.088 0.000 1.246 90 L CA 0.270 55.063 54.840 -0.079 0.000 0.844 90 L CB 0.596 42.594 42.059 -0.102 0.000 1.106 90 L HN 0.207 nan 8.230 nan 0.000 0.509 91 G N 2.266 111.007 108.800 -0.098 0.000 3.152 91 G HA2 0.195 4.153 3.960 -0.003 0.000 0.157 91 G HA3 0.195 4.153 3.960 -0.003 0.000 0.157 91 G C -2.004 172.775 174.900 -0.202 0.000 1.786 91 G CA 0.062 45.073 45.100 -0.148 0.000 1.055 91 G HN 0.530 nan 8.290 nan 0.000 0.528 92 P HA 0.186 nan 4.420 nan 0.000 0.195 92 P C 1.457 178.694 177.300 -0.105 0.000 1.172 92 P CA 1.861 64.717 63.100 -0.407 0.000 0.850 92 P CB -0.014 31.304 31.700 -0.637 0.000 0.699 93 A N -0.217 122.603 122.820 -0.001 0.000 2.218 93 A HA -0.029 4.289 4.320 -0.003 0.000 0.209 93 A C 1.834 179.592 177.584 0.290 0.000 1.168 93 A CA 0.530 52.751 52.037 0.308 0.000 0.804 93 A CB -1.204 17.990 19.000 0.323 0.000 0.834 93 A HN 0.465 nan 8.150 nan 0.000 0.482 94 E N -0.398 119.870 120.200 0.113 0.000 2.418 94 E HA -0.046 4.302 4.350 -0.003 0.000 0.197 94 E C 1.498 178.091 176.600 -0.010 0.000 1.026 94 E CA 1.004 57.440 56.400 0.060 0.000 0.862 94 E CB -0.251 29.456 29.700 0.011 0.000 0.799 94 E HN 0.343 nan 8.360 nan 0.000 0.518 95 S N 0.583 116.252 115.700 -0.050 0.000 2.356 95 S HA -0.130 4.338 4.470 -0.003 0.000 0.223 95 S C 1.031 175.395 174.600 -0.393 0.000 1.032 95 S CA 1.140 59.188 58.200 -0.253 0.000 1.005 95 S CB -0.322 62.653 63.200 -0.376 0.000 0.867 95 S HN 0.454 nan 8.310 nan 0.000 0.449 96 Y N 0.557 120.714 120.300 -0.239 0.000 2.471 96 Y HA 0.346 4.895 4.550 -0.003 0.000 0.286 96 Y C 1.356 177.030 175.900 -0.377 0.000 1.188 96 Y CA 0.087 57.895 58.100 -0.487 0.000 1.286 96 Y CB -0.099 37.676 38.460 -1.142 0.000 1.072 96 Y HN 0.154 nan 8.280 nan 0.000 0.517 97 L N -0.959 120.225 121.223 -0.065 0.000 2.701 97 L HA 0.117 4.456 4.340 -0.003 0.000 0.238 97 L C 0.820 177.645 176.870 -0.075 0.000 1.106 97 L CA -0.019 54.813 54.840 -0.013 0.000 0.898 97 L CB 0.170 42.297 42.059 0.113 0.000 1.188 97 L HN 0.051 nan 8.230 nan 0.000 0.508 98 N N 1.894 120.535 118.700 -0.098 0.000 2.498 98 N HA 0.065 4.804 4.740 -0.003 0.000 0.277 98 N C 1.155 176.616 175.510 -0.081 0.000 1.208 98 N CA 0.100 53.102 53.050 -0.079 0.000 1.029 98 N CB 0.532 38.968 38.487 -0.085 0.000 1.403 98 N HN 0.250 nan 8.380 nan 0.000 0.500 99 I N 1.580 122.120 120.570 -0.049 0.000 2.113 99 I HA -0.333 3.835 4.170 -0.003 0.000 0.242 99 I C 2.037 178.216 176.117 0.104 0.000 1.057 99 I CA 1.296 62.619 61.300 0.039 0.000 1.314 99 I CB 0.035 38.117 38.000 0.137 0.000 1.022 99 I HN 0.403 nan 8.210 nan 0.000 0.408 100 E N 0.342 120.574 120.200 0.054 0.000 2.107 100 E HA -0.162 4.186 4.350 -0.003 0.000 0.191 100 E C 2.337 178.946 176.600 0.016 0.000 0.982 100 E CA 1.015 57.440 56.400 0.042 0.000 0.809 100 E CB -0.168 29.544 29.700 0.021 0.000 0.756 100 E HN 0.339 nan 8.360 nan 0.000 0.459 101 R N 0.409 120.900 120.500 -0.015 0.000 2.090 101 R HA 0.051 4.389 4.340 -0.003 0.000 0.228 101 R C 2.387 178.661 176.300 -0.042 0.000 1.110 101 R CA 0.512 56.585 56.100 -0.044 0.000 0.973 101 R CB -0.480 29.776 30.300 -0.074 0.000 0.869 101 R HN 0.168 nan 8.270 nan 0.000 0.440 102 I N -0.066 120.491 120.570 -0.022 0.000 2.099 102 I HA -0.308 3.860 4.170 -0.003 0.000 0.239 102 I C 1.990 178.155 176.117 0.080 0.000 1.066 102 I CA 1.510 62.821 61.300 0.018 0.000 1.324 102 I CB -0.288 37.724 38.000 0.019 0.000 1.037 102 I HN 0.082 nan 8.210 nan 0.000 0.401 103 I N 0.549 121.207 120.570 0.146 0.000 2.264 103 I HA -0.336 3.832 4.170 -0.003 0.000 0.248 103 I C 2.025 178.157 176.117 0.026 0.000 1.111 103 I CA 1.426 62.796 61.300 0.116 0.000 1.382 103 I CB -0.409 37.666 38.000 0.124 0.000 1.060 103 I HN 0.266 nan 8.210 nan 0.000 0.418 104 D N 0.155 120.554 120.400 -0.003 0.000 2.097 104 D HA -0.150 4.489 4.640 -0.003 0.000 0.195 104 D C 2.344 178.585 176.300 -0.098 0.000 0.989 104 D CA 1.183 55.156 54.000 -0.045 0.000 0.827 104 D CB -0.328 40.443 40.800 -0.048 0.000 0.966 104 D HN 0.098 nan 8.370 nan 0.000 0.456 105 V N 1.079 120.919 119.914 -0.125 0.000 2.392 105 V HA -0.260 3.859 4.120 -0.003 0.000 0.249 105 V C 2.412 178.376 176.094 -0.216 0.000 1.059 105 V CA 1.835 63.984 62.300 -0.250 0.000 1.051 105 V CB -0.736 30.958 31.823 -0.215 0.000 0.658 105 V HN 0.207 nan 8.190 nan 0.000 0.455 106 A N -0.690 122.086 122.820 -0.075 0.000 1.898 106 A HA -0.160 4.158 4.320 -0.003 0.000 0.216 106 A C 2.331 179.891 177.584 -0.039 0.000 1.181 106 A CA 1.442 53.466 52.037 -0.022 0.000 0.620 106 A CB -0.346 18.682 19.000 0.047 0.000 0.819 106 A HN 0.438 nan 8.150 nan 0.000 0.442 107 K N -0.433 119.940 120.400 -0.045 0.000 2.026 107 K HA -0.130 4.188 4.320 -0.003 0.000 0.208 107 K C 2.178 178.744 176.600 -0.057 0.000 1.048 107 K CA 1.336 57.599 56.287 -0.040 0.000 0.929 107 K CB -0.304 32.175 32.500 -0.034 0.000 0.713 107 K HN 0.492 nan 8.250 nan 0.000 0.439 108 Q N -0.193 119.548 119.800 -0.099 0.000 2.167 108 Q HA -0.052 4.287 4.340 -0.003 0.000 0.202 108 Q C 1.776 177.717 176.000 -0.098 0.000 0.970 108 Q CA 1.186 56.924 55.803 -0.107 0.000 0.855 108 Q CB -0.018 28.624 28.738 -0.160 0.000 0.911 108 Q HN 0.275 nan 8.270 nan 0.000 0.438 109 A N 0.802 123.543 122.820 -0.131 0.000 2.275 109 A HA 0.017 4.335 4.320 -0.003 0.000 0.212 109 A C -0.013 177.575 177.584 0.007 0.000 1.201 109 A CA -0.170 51.836 52.037 -0.052 0.000 0.843 109 A CB 0.082 19.041 19.000 -0.069 0.000 0.873 109 A HN 0.357 nan 8.150 nan 0.000 0.492 110 N N -0.571 118.125 118.700 -0.007 0.000 2.726 110 N HA -0.118 4.620 4.740 -0.003 0.000 0.253 110 N C -0.565 174.959 175.510 0.024 0.000 1.059 110 N CA 0.859 53.915 53.050 0.010 0.000 0.701 110 N CB -1.667 36.830 38.487 0.017 0.000 0.899 110 N HN 0.203 nan 8.380 nan 0.000 0.548 111 V N 0.876 120.805 119.914 0.024 0.000 2.498 111 V HA 0.116 4.235 4.120 -0.003 0.000 0.279 111 V C 1.468 177.583 176.094 0.036 0.000 1.048 111 V CA -0.256 62.069 62.300 0.043 0.000 0.967 111 V CB 1.601 33.459 31.823 0.058 0.000 0.988 111 V HN 0.267 nan 8.190 nan 0.000 0.473 112 D N 3.172 123.596 120.400 0.040 0.000 2.201 112 D HA 0.172 4.810 4.640 -0.003 0.000 0.209 112 D C 0.581 176.899 176.300 0.030 0.000 0.961 112 D CA 1.058 55.076 54.000 0.031 0.000 0.861 112 D CB 0.733 41.552 40.800 0.031 0.000 0.997 112 D HN 0.615 nan 8.370 nan 0.000 0.486 113 A N 0.465 123.309 122.820 0.041 0.000 2.449 113 A HA 0.637 4.955 4.320 -0.003 0.000 0.302 113 A C -1.092 176.528 177.584 0.059 0.000 1.048 113 A CA -0.535 51.521 52.037 0.030 0.000 0.708 113 A CB 1.656 20.662 19.000 0.010 0.000 1.274 113 A HN 0.019 nan 8.150 nan 0.000 0.410 114 I N 2.667 123.266 120.570 0.049 0.000 2.389 114 I HA 0.266 4.434 4.170 -0.003 0.000 0.288 114 I C -0.533 175.602 176.117 0.029 0.000 0.999 114 I CA -0.500 60.868 61.300 0.114 0.000 1.129 114 I CB 1.466 39.598 38.000 0.220 0.000 1.288 114 I HN 0.700 nan 8.210 nan 0.000 0.444 115 H N 8.946 128.004 119.070 -0.020 0.000 2.604 115 H HA 0.323 4.878 4.556 -0.003 0.000 0.306 115 H C -2.056 173.239 175.328 -0.055 0.000 1.075 115 H CA -2.204 53.780 56.048 -0.107 0.000 1.357 115 H CB 1.929 31.629 29.762 -0.103 0.000 1.426 115 H HN 0.313 nan 8.280 nan 0.000 0.470 116 P HA 0.115 nan 4.420 nan 0.000 0.261 116 P C 0.936 178.333 177.300 0.161 0.000 1.268 116 P CA 0.746 63.975 63.100 0.215 0.000 0.833 116 P CB 0.606 32.475 31.700 0.281 0.000 1.231 117 G N 1.288 110.227 108.800 0.231 0.000 2.672 117 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.324 117 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.324 117 G C -0.413 174.544 174.900 0.096 0.000 1.286 117 G CA 0.956 46.042 45.100 -0.024 0.000 1.004 117 G HN 0.489 nan 8.290 nan 0.000 0.548 118 Y N -2.401 117.931 120.300 0.054 0.000 2.576 118 Y HA 0.586 5.134 4.550 -0.003 0.000 0.346 118 Y C 0.931 176.852 175.900 0.034 0.000 1.018 118 Y CA -1.029 57.103 58.100 0.055 0.000 1.050 118 Y CB 1.396 39.870 38.460 0.024 0.000 1.280 118 Y HN 2.320 nan 8.280 nan 0.000 0.474 119 G N 0.138 109.081 108.800 0.238 0.000 2.198 119 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.260 119 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.260 119 G C -0.632 174.112 174.900 -0.259 0.000 1.025 119 G CA 1.120 46.230 45.100 0.018 0.000 0.769 119 G HN 0.689 nan 8.290 nan 0.000 0.507 120 F N -1.854 118.137 119.950 0.068 0.000 1.928 120 F HA 0.432 4.957 4.527 -0.003 0.000 0.221 120 F C 1.702 177.532 175.800 0.050 0.000 1.265 120 F CA 0.218 58.243 58.000 0.042 0.000 1.270 120 F CB -0.168 38.826 39.000 -0.010 0.000 1.955 120 F HN -0.052 nan 8.300 nan 0.000 0.147 121 L N 0.456 121.843 121.223 0.274 0.000 2.741 121 L HA 0.191 4.529 4.340 -0.003 0.000 0.237 121 L C 1.423 178.497 176.870 0.339 0.000 1.178 121 L CA 0.103 55.045 54.840 0.170 0.000 0.973 121 L CB -0.280 41.676 42.059 -0.172 0.000 1.255 121 L HN 0.215 nan 8.230 nan 0.000 0.498 122 S N 0.338 116.232 115.700 0.322 0.000 2.359 122 S HA -0.183 4.285 4.470 -0.003 0.000 0.224 122 S C 0.969 175.806 174.600 0.396 0.000 1.035 122 S CA 1.280 59.694 58.200 0.358 0.000 1.018 122 S CB -0.219 63.139 63.200 0.264 0.000 0.876 122 S HN 0.521 nan 8.310 nan 0.000 0.448 123 E N 1.535 121.907 120.200 0.286 0.000 2.947 123 E HA 0.283 4.631 4.350 -0.003 0.000 0.229 123 E C -0.720 175.994 176.600 0.190 0.000 1.158 123 E CA -0.243 56.303 56.400 0.244 0.000 1.441 123 E CB 0.063 29.883 29.700 0.200 0.000 1.414 123 E HN 0.188 nan 8.360 nan 0.000 0.432 124 N N 1.965 120.780 118.700 0.191 0.000 2.569 124 N HA 0.008 4.746 4.740 -0.003 0.000 0.254 124 N C 0.414 175.944 175.510 0.035 0.000 1.004 124 N CA 0.018 53.146 53.050 0.131 0.000 0.904 124 N CB 1.197 39.787 38.487 0.171 0.000 1.165 124 N HN 0.240 nan 8.380 nan 0.000 0.513 125 E N 2.195 122.401 120.200 0.010 0.000 2.077 125 E HA -0.245 4.103 4.350 -0.003 0.000 0.193 125 E C 1.226 177.779 176.600 -0.078 0.000 0.989 125 E CA 1.341 57.706 56.400 -0.058 0.000 0.800 125 E CB 0.361 30.050 29.700 -0.019 0.000 0.746 125 E HN 0.669 nan 8.360 nan 0.000 0.452 126 Q N -0.362 119.433 119.800 -0.007 0.000 2.002 126 Q HA -0.217 4.121 4.340 -0.003 0.000 0.204 126 Q C 2.108 178.119 176.000 0.017 0.000 0.988 126 Q CA 1.994 57.803 55.803 0.010 0.000 0.843 126 Q CB -0.344 28.424 28.738 0.049 0.000 0.908 126 Q HN 0.296 nan 8.270 nan 0.000 0.420 127 F N 0.642 120.535 119.950 -0.095 0.000 2.120 127 F HA -0.215 4.310 4.527 -0.003 0.000 0.300 127 F C 1.976 177.643 175.800 -0.220 0.000 1.095 127 F CA 1.526 59.469 58.000 -0.094 0.000 1.249 127 F CB -0.678 38.310 39.000 -0.020 0.000 0.995 127 F HN 0.176 nan 8.300 nan 0.000 0.480 128 A N 0.275 122.755 122.820 -0.567 0.000 1.933 128 A HA -0.195 4.123 4.320 -0.003 0.000 0.218 128 A C 2.447 179.763 177.584 -0.446 0.000 1.175 128 A CA 1.684 53.162 52.037 -0.931 0.000 0.628 128 A CB -0.804 17.544 19.000 -1.087 0.000 0.814 128 A HN 0.448 nan 8.150 nan 0.000 0.444 129 R N -0.819 119.519 120.500 -0.270 0.000 2.061 129 R HA -0.098 4.240 4.340 -0.003 0.000 0.230 129 R C 2.294 178.506 176.300 -0.147 0.000 1.140 129 R CA 1.191 57.197 56.100 -0.156 0.000 0.940 129 R CB -0.232 30.010 30.300 -0.097 0.000 0.839 129 R HN 0.320 nan 8.270 nan 0.000 0.429 130 R N 0.158 120.571 120.500 -0.144 0.000 2.200 130 R HA -0.144 4.194 4.340 -0.003 0.000 0.234 130 R C 2.238 178.441 176.300 -0.161 0.000 1.127 130 R CA 1.005 57.038 56.100 -0.112 0.000 0.989 130 R CB -1.026 29.244 30.300 -0.049 0.000 0.869 130 R HN 0.406 nan 8.270 nan 0.000 0.459 131 C N 0.071 119.203 119.300 -0.280 0.000 2.462 131 C HA -0.004 4.455 4.460 -0.003 0.000 0.278 131 C C 2.947 177.870 174.990 -0.111 0.000 1.253 131 C CA 0.763 59.637 59.018 -0.241 0.000 1.713 131 C CB -1.004 26.550 27.740 -0.309 0.000 2.049 131 C HN 0.563 nan 8.230 nan 0.000 0.477 132 A N 0.732 123.495 122.820 -0.094 0.000 1.865 132 A HA -0.238 4.080 4.320 -0.003 0.000 0.217 132 A C 1.929 179.488 177.584 -0.041 0.000 1.191 132 A CA 1.932 53.943 52.037 -0.044 0.000 0.623 132 A CB -0.802 18.178 19.000 -0.034 0.000 0.826 132 A HN 0.718 nan 8.150 nan 0.000 0.444 133 E N -0.368 119.801 120.200 -0.051 0.000 2.219 133 E HA -0.185 4.163 4.350 -0.003 0.000 0.198 133 E C 1.233 177.814 176.600 -0.032 0.000 0.998 133 E CA 1.214 57.591 56.400 -0.039 0.000 0.818 133 E CB -0.046 29.630 29.700 -0.040 0.000 0.741 133 E HN 0.566 nan 8.360 nan 0.000 0.477 134 E N -0.876 119.302 120.200 -0.038 0.000 2.481 134 E HA 0.082 4.431 4.350 -0.003 0.000 0.198 134 E C 0.902 177.489 176.600 -0.021 0.000 1.027 134 E CA 0.478 56.861 56.400 -0.028 0.000 0.900 134 E CB 1.192 30.874 29.700 -0.029 0.000 0.993 134 E HN 0.326 nan 8.360 nan 0.000 0.482 135 G N 1.880 110.668 108.800 -0.020 0.000 2.137 135 G HA2 -0.270 3.689 3.960 -0.003 0.000 0.237 135 G HA3 -0.270 3.689 3.960 -0.003 0.000 0.237 135 G C 0.014 174.911 174.900 -0.004 0.000 1.002 135 G CA 0.035 45.129 45.100 -0.009 0.000 0.702 135 G HN 0.171 nan 8.290 nan 0.000 0.515 136 I N 0.644 121.206 120.570 -0.013 0.000 2.339 136 I HA 0.361 4.530 4.170 -0.003 0.000 0.290 136 I C 0.483 176.604 176.117 0.006 0.000 0.994 136 I CA -1.076 60.222 61.300 -0.004 0.000 1.191 136 I CB 1.628 39.620 38.000 -0.013 0.000 1.343 136 I HN -0.139 nan 8.210 nan 0.000 0.458 137 K N 6.574 126.984 120.400 0.017 0.000 2.378 137 K HA 0.104 4.422 4.320 -0.003 0.000 0.288 137 K C -0.675 175.945 176.600 0.033 0.000 1.057 137 K CA -0.093 56.210 56.287 0.025 0.000 0.971 137 K CB 0.143 32.647 32.500 0.006 0.000 0.975 137 K HN 0.457 nan 8.250 nan 0.000 0.475 138 F N 5.909 125.800 119.950 -0.099 0.000 2.502 138 F HA 0.161 4.686 4.527 -0.003 0.000 0.371 138 F C 0.522 176.253 175.800 -0.116 0.000 1.083 138 F CA -0.366 57.566 58.000 -0.114 0.000 1.174 138 F CB 0.267 39.190 39.000 -0.129 0.000 1.096 138 F HN 0.400 nan 8.300 nan 0.000 0.545 139 I N 7.541 127.700 120.570 -0.686 0.000 2.372 139 I HA 0.362 4.530 4.170 -0.003 0.000 0.298 139 I C 0.671 176.294 176.117 -0.824 0.000 1.137 139 I CA 0.517 61.423 61.300 -0.656 0.000 1.314 139 I CB -0.709 36.901 38.000 -0.650 0.000 1.444 139 I HN 0.857 nan 8.210 nan 0.000 0.541 140 G N 7.851 116.355 108.800 -0.493 0.000 2.368 140 G HA2 0.159 4.118 3.960 -0.003 0.000 0.269 140 G HA3 0.159 4.118 3.960 -0.003 0.000 0.269 140 G C -3.248 171.531 174.900 -0.202 0.000 1.291 140 G CA -0.647 44.273 45.100 -0.300 0.000 0.903 140 G HN 0.270 nan 8.290 nan 0.000 0.483 141 P HA 0.345 nan 4.420 nan 0.000 0.279 141 P C -0.513 176.809 177.300 0.037 0.000 1.276 141 P CA -0.339 62.596 63.100 -0.274 0.000 0.801 141 P CB 0.579 32.048 31.700 -0.386 0.000 1.127 142 H N -0.526 118.731 119.070 0.313 0.000 2.660 142 H HA 0.064 4.618 4.556 -0.003 0.000 0.374 142 H C 1.619 176.994 175.328 0.078 0.000 1.291 142 H CA -0.218 55.924 56.048 0.157 0.000 1.437 142 H CB 0.157 29.948 29.762 0.048 0.000 1.509 142 H HN 0.196 nan 8.280 nan 0.000 0.614 143 L N 0.863 122.171 121.223 0.141 0.000 2.021 143 L HA -0.246 4.092 4.340 -0.003 0.000 0.215 143 L C 2.491 179.357 176.870 -0.006 0.000 1.074 143 L CA 1.890 56.742 54.840 0.019 0.000 0.760 143 L CB -0.803 41.239 42.059 -0.029 0.000 0.889 143 L HN 0.726 nan 8.230 nan 0.000 0.433 144 E N -1.525 118.631 120.200 -0.074 0.000 2.418 144 E HA -0.211 4.137 4.350 -0.003 0.000 0.197 144 E C 1.765 178.266 176.600 -0.164 0.000 1.026 144 E CA 1.010 57.322 56.400 -0.146 0.000 0.862 144 E CB -0.468 29.111 29.700 -0.201 0.000 0.799 144 E HN 0.590 nan 8.360 nan 0.000 0.518 145 H N 1.195 120.304 119.070 0.066 0.000 2.343 145 H HA 0.119 4.673 4.556 -0.003 0.000 0.303 145 H C 2.385 177.790 175.328 0.129 0.000 1.068 145 H CA 1.070 57.196 56.048 0.129 0.000 1.359 145 H CB -0.071 29.857 29.762 0.277 0.000 1.402 145 H HN 0.165 nan 8.280 nan 0.000 0.515 146 L N 0.348 121.732 121.223 0.268 0.000 2.275 146 L HA -0.140 4.198 4.340 -0.003 0.000 0.215 146 L C 2.127 179.059 176.870 0.104 0.000 1.119 146 L CA 1.112 56.082 54.840 0.217 0.000 0.790 146 L CB -0.266 41.890 42.059 0.161 0.000 0.919 146 L HN 0.168 nan 8.230 nan 0.000 0.443 147 D N 0.247 120.657 120.400 0.016 0.000 2.091 147 D HA -0.172 4.466 4.640 -0.003 0.000 0.199 147 D C 2.349 178.596 176.300 -0.088 0.000 0.980 147 D CA 1.234 55.215 54.000 -0.032 0.000 0.831 147 D CB 0.056 40.821 40.800 -0.058 0.000 0.987 147 D HN 0.105 nan 8.370 nan 0.000 0.460 148 M N -0.873 118.577 119.600 -0.250 0.000 2.082 148 M HA -0.158 4.320 4.480 -0.003 0.000 0.258 148 M C 1.418 177.535 176.300 -0.305 0.000 1.069 148 M CA 1.587 56.619 55.300 -0.447 0.000 1.102 148 M CB -0.373 31.619 32.600 -1.013 0.000 1.336 148 M HN 0.104 nan 8.290 nan 0.000 0.404 149 F N -1.485 118.548 119.950 0.138 0.000 2.727 149 F HA 0.271 4.796 4.527 -0.003 0.000 0.302 149 F C 2.220 178.088 175.800 0.114 0.000 1.097 149 F CA -0.150 57.933 58.000 0.139 0.000 1.330 149 F CB -0.384 38.711 39.000 0.159 0.000 1.084 149 F HN 0.141 nan 8.300 nan 0.000 0.578 150 G N -0.664 108.260 108.800 0.207 0.000 2.448 150 G HA2 -0.159 3.800 3.960 -0.003 0.000 0.218 150 G HA3 -0.159 3.800 3.960 -0.003 0.000 0.218 150 G C -0.286 174.684 174.900 0.116 0.000 1.135 150 G CA 0.371 45.562 45.100 0.151 0.000 0.784 150 G HN 0.186 nan 8.290 nan 0.000 0.543 151 D N -0.985 119.478 120.400 0.104 0.000 2.414 151 D HA 0.298 4.937 4.640 -0.003 0.000 0.232 151 D C 1.231 177.594 176.300 0.104 0.000 1.070 151 D CA -0.537 53.512 54.000 0.082 0.000 0.839 151 D CB 1.391 42.223 40.800 0.053 0.000 1.079 151 D HN 0.003 nan 8.370 nan 0.000 0.521 152 K N 2.233 122.692 120.400 0.098 0.000 2.293 152 K HA -0.155 4.163 4.320 -0.003 0.000 0.204 152 K C 0.957 177.618 176.600 0.103 0.000 1.045 152 K CA 1.292 57.641 56.287 0.103 0.000 0.933 152 K CB 0.186 32.729 32.500 0.072 0.000 0.736 152 K HN 0.350 nan 8.250 nan 0.000 0.463 153 V N 0.492 120.455 119.914 0.081 0.000 2.599 153 V HA -0.088 4.031 4.120 -0.003 0.000 0.245 153 V C 1.895 178.031 176.094 0.071 0.000 1.046 153 V CA 1.245 63.587 62.300 0.069 0.000 1.065 153 V CB -0.155 31.695 31.823 0.046 0.000 0.703 153 V HN 0.245 nan 8.190 nan 0.000 0.464 154 K N 1.078 121.517 120.400 0.066 0.000 2.155 154 K HA 0.037 4.355 4.320 -0.003 0.000 0.203 154 K C 2.296 178.936 176.600 0.066 0.000 1.052 154 K CA 1.273 57.585 56.287 0.042 0.000 0.948 154 K CB -0.321 32.184 32.500 0.009 0.000 0.728 154 K HN 0.429 nan 8.250 nan 0.000 0.448 155 A N 1.944 124.853 122.820 0.148 0.000 1.972 155 A HA -0.157 4.161 4.320 -0.003 0.000 0.219 155 A C 2.075 179.801 177.584 0.237 0.000 1.169 155 A CA 1.132 53.338 52.037 0.282 0.000 0.635 155 A CB -0.341 18.948 19.000 0.481 0.000 0.810 155 A HN 0.197 nan 8.150 nan 0.000 0.446 156 R N -0.929 119.689 120.500 0.197 0.000 2.092 156 R HA -0.082 4.256 4.340 -0.003 0.000 0.231 156 R C 2.163 178.501 176.300 0.063 0.000 1.119 156 R CA 1.727 57.917 56.100 0.150 0.000 0.970 156 R CB -0.617 29.767 30.300 0.139 0.000 0.864 156 R HN 0.555 nan 8.270 nan 0.000 0.440 157 T N 0.151 114.734 114.554 0.050 0.000 2.746 157 T HA -0.107 4.241 4.350 -0.003 0.000 0.267 157 T C 1.814 176.515 174.700 0.002 0.000 1.039 157 T CA 1.810 63.923 62.100 0.021 0.000 1.142 157 T CB -0.251 68.625 68.868 0.014 0.000 0.866 157 T HN 0.301 nan 8.240 nan 0.000 0.444 158 T N 2.014 116.570 114.554 0.003 0.000 2.777 158 T HA 0.019 4.368 4.350 -0.003 0.000 0.266 158 T C 2.430 177.100 174.700 -0.049 0.000 1.040 158 T CA 1.077 63.174 62.100 -0.004 0.000 1.141 158 T CB -0.499 68.385 68.868 0.028 0.000 0.868 158 T HN 0.433 nan 8.240 nan 0.000 0.444 159 A N 0.799 123.537 122.820 -0.137 0.000 1.930 159 A HA 0.030 4.348 4.320 -0.003 0.000 0.217 159 A C 2.195 179.699 177.584 -0.134 0.000 1.175 159 A CA 1.073 52.921 52.037 -0.315 0.000 0.627 159 A CB -0.592 18.035 19.000 -0.621 0.000 0.815 159 A HN 0.432 nan 8.150 nan 0.000 0.443 160 I N -1.343 119.195 120.570 -0.053 0.000 2.876 160 I HA 0.009 4.177 4.170 -0.003 0.000 0.264 160 I C 1.823 177.936 176.117 -0.007 0.000 1.204 160 I CA 1.090 62.383 61.300 -0.011 0.000 1.485 160 I CB 0.028 38.035 38.000 0.013 0.000 1.103 160 I HN 0.038 nan 8.210 nan 0.000 0.446 161 K N 0.574 120.967 120.400 -0.011 0.000 2.217 161 K HA 0.146 4.465 4.320 -0.003 0.000 0.202 161 K C 1.642 178.243 176.600 0.001 0.000 1.051 161 K CA 1.115 57.401 56.287 -0.002 0.000 0.952 161 K CB -0.205 32.295 32.500 -0.000 0.000 0.736 161 K HN 0.315 nan 8.250 nan 0.000 0.453 162 A N 0.338 123.154 122.820 -0.007 0.000 2.423 162 A HA 0.128 4.447 4.320 -0.003 0.000 0.246 162 A C -0.799 176.790 177.584 0.009 0.000 1.278 162 A CA -0.069 51.970 52.037 0.004 0.000 0.903 162 A CB -0.002 18.999 19.000 0.002 0.000 0.997 162 A HN 0.289 nan 8.150 nan 0.000 0.510 163 D N -0.871 119.532 120.400 0.006 0.000 2.828 163 D HA -0.134 4.504 4.640 -0.003 0.000 0.241 163 D C -0.808 175.513 176.300 0.034 0.000 1.142 163 D CA 0.874 54.883 54.000 0.015 0.000 0.755 163 D CB -1.255 39.554 40.800 0.016 0.000 1.014 163 D HN 0.270 nan 8.370 nan 0.000 0.420 164 L N 0.605 121.849 121.223 0.035 0.000 2.342 164 L HA 0.538 4.877 4.340 -0.003 0.000 0.271 164 L C -1.943 174.989 176.870 0.104 0.000 1.008 164 L CA -1.684 53.218 54.840 0.102 0.000 0.818 164 L CB 1.382 43.515 42.059 0.123 0.000 1.296 164 L HN -0.190 nan 8.230 nan 0.000 0.427 165 P HA 0.298 nan 4.420 nan 0.000 0.268 165 P C -1.119 176.368 177.300 0.312 0.000 1.205 165 P CA -0.250 62.906 63.100 0.093 0.000 0.771 165 P CB 0.758 32.325 31.700 -0.221 0.000 0.858 166 V N -0.206 119.909 119.914 0.335 0.000 3.158 166 V HA 0.523 4.641 4.120 -0.003 0.000 0.311 166 V C -0.023 176.189 176.094 0.198 0.000 1.181 166 V CA -1.403 61.083 62.300 0.311 0.000 1.054 166 V CB 1.291 33.235 31.823 0.202 0.000 1.085 166 V HN 0.251 nan 8.190 nan 0.000 0.446 167 I N 3.755 124.339 120.570 0.023 0.000 2.587 167 I HA 0.239 4.408 4.170 -0.003 0.000 0.284 167 I C -1.229 174.817 176.117 -0.117 0.000 1.134 167 I CA -0.772 60.410 61.300 -0.196 0.000 1.410 167 I CB 0.013 37.930 38.000 -0.139 0.000 1.392 167 I HN 0.696 nan 8.210 nan 0.000 0.545 240 D N 2.157 122.577 120.400 0.034 0.000 2.294 240 D HA 0.304 4.942 4.640 -0.003 0.000 0.250 240 D C 0.804 177.139 176.300 0.058 0.000 1.058 240 D CA 0.457 54.483 54.000 0.042 0.000 0.950 240 D CB 1.357 42.178 40.800 0.035 0.000 1.158 240 D HN 0.283 nan 8.370 nan 0.000 0.453 241 N N 1.003 119.737 118.700 0.058 0.000 2.696 241 N HA -0.122 4.616 4.740 -0.003 0.000 0.256 241 N C -2.461 173.089 175.510 0.068 0.000 1.031 241 N CA -0.363 52.725 53.050 0.062 0.000 0.730 241 N CB -0.239 38.279 38.487 0.052 0.000 0.894 241 N HN 0.211 nan 8.380 nan 0.000 0.544 242 P HA 0.278 nan 4.420 nan 0.000 0.292 242 P C -0.877 176.474 177.300 0.085 0.000 1.283 242 P CA -0.089 63.067 63.100 0.093 0.000 0.835 242 P CB 1.111 32.877 31.700 0.110 0.000 1.017 243 K N 1.645 122.082 120.400 0.063 0.000 2.206 243 K HA 0.281 4.599 4.320 -0.003 0.000 0.264 243 K C -0.614 176.035 176.600 0.081 0.000 0.967 243 K CA -0.637 55.672 56.287 0.036 0.000 0.844 243 K CB 0.989 33.454 32.500 -0.059 0.000 1.099 243 K HN 0.584 nan 8.250 nan 0.000 0.441 244 H N 3.627 122.708 119.070 0.018 0.000 2.741 244 H HA 0.220 4.774 4.556 -0.003 0.000 0.282 244 H C -0.653 174.692 175.328 0.029 0.000 1.122 244 H CA -0.410 55.656 56.048 0.030 0.000 1.293 244 H CB 0.177 29.950 29.762 0.017 0.000 1.415 244 H HN 0.285 nan 8.280 nan 0.000 0.472 245 I N 4.385 124.913 120.570 -0.070 0.000 2.404 245 I HA 0.271 4.439 4.170 -0.003 0.000 0.293 245 I C 0.001 176.128 176.117 0.017 0.000 0.992 245 I CA -0.592 60.703 61.300 -0.008 0.000 1.149 245 I CB 1.648 39.625 38.000 -0.039 0.000 1.315 245 I HN 0.673 nan 8.210 nan 0.000 0.446 246 E N 4.258 124.490 120.200 0.054 0.000 2.222 246 E HA 0.582 4.930 4.350 -0.003 0.000 0.267 246 E C -1.274 175.370 176.600 0.072 0.000 0.884 246 E CA -0.670 55.770 56.400 0.066 0.000 0.764 246 E CB 3.094 32.827 29.700 0.056 0.000 1.169 246 E HN 0.260 nan 8.360 nan 0.000 0.413 247 V N 2.849 122.814 119.914 0.086 0.000 2.417 247 V HA 0.217 4.335 4.120 -0.003 0.000 0.291 247 V C -0.233 175.884 176.094 0.038 0.000 1.024 247 V CA -0.828 61.502 62.300 0.050 0.000 0.861 247 V CB 1.517 33.350 31.823 0.016 0.000 0.985 247 V HN 0.615 nan 8.190 nan 0.000 0.436 248 Q N 3.738 123.574 119.800 0.060 0.000 2.288 248 Q HA 0.604 4.942 4.340 -0.003 0.000 0.254 248 Q C -0.750 175.286 176.000 0.060 0.000 0.932 248 Q CA -0.159 55.679 55.803 0.058 0.000 0.902 248 Q CB 1.646 30.435 28.738 0.085 0.000 1.203 248 Q HN 0.782 nan 8.270 nan 0.000 0.415 249 V N 1.530 121.463 119.914 0.032 0.000 2.925 249 V HA 0.756 4.874 4.120 -0.003 0.000 0.311 249 V C -0.705 175.429 176.094 0.067 0.000 1.104 249 V CA -0.900 61.424 62.300 0.040 0.000 0.954 249 V CB 1.975 33.795 31.823 -0.006 0.000 1.022 249 V HN 0.769 nan 8.190 nan 0.000 0.427 250 I N 2.177 122.789 120.570 0.070 0.000 2.534 250 I HA 0.808 4.976 4.170 -0.003 0.000 0.288 250 I C 0.294 176.452 176.117 0.068 0.000 1.077 250 I CA -0.482 60.865 61.300 0.079 0.000 1.051 250 I CB 2.216 40.242 38.000 0.043 0.000 1.234 250 I HN 0.991 nan 8.210 nan 0.000 0.425 251 G N 3.212 112.059 108.800 0.078 0.000 2.563 251 G HA2 0.647 4.605 3.960 -0.003 0.000 0.302 251 G HA3 0.647 4.605 3.960 -0.003 0.000 0.302 251 G C -1.514 173.364 174.900 -0.036 0.000 1.301 251 G CA -0.428 44.697 45.100 0.041 0.000 0.965 251 G HN 0.625 nan 8.290 nan 0.000 0.480 252 D N -1.074 119.294 120.400 -0.054 0.000 2.478 252 D HA 0.225 4.863 4.640 -0.003 0.000 0.263 252 D C 0.632 176.819 176.300 -0.188 0.000 1.153 252 D CA -0.782 53.130 54.000 -0.148 0.000 1.038 252 D CB 1.203 41.906 40.800 -0.161 0.000 1.120 252 D HN 0.402 nan 8.370 nan 0.000 0.564 253 E N -1.452 118.527 120.200 -0.369 0.000 2.526 253 E HA -0.067 4.281 4.350 -0.003 0.000 0.198 253 E C 0.115 176.639 176.600 -0.128 0.000 1.091 253 E CA 0.366 56.613 56.400 -0.255 0.000 0.880 253 E CB -0.097 29.456 29.700 -0.244 0.000 0.873 253 E HN 0.382 nan 8.360 nan 0.000 0.527 254 H N -1.364 117.733 119.070 0.045 0.000 2.923 254 H HA 0.264 4.818 4.556 -0.003 0.000 0.268 254 H C 1.326 176.679 175.328 0.041 0.000 1.148 254 H CA 0.396 56.468 56.048 0.040 0.000 1.146 254 H CB 1.263 31.042 29.762 0.028 0.000 1.607 254 H HN 0.273 nan 8.280 nan 0.000 0.566 255 G N 1.194 110.067 108.800 0.122 0.000 2.194 255 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.236 255 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.236 255 G C -0.087 174.859 174.900 0.077 0.000 0.987 255 G CA -0.259 44.899 45.100 0.097 0.000 0.635 255 G HN 0.417 nan 8.290 nan 0.000 0.520 256 N N 0.635 119.378 118.700 0.072 0.000 2.411 256 N HA 0.600 5.339 4.740 -0.003 0.000 0.259 256 N C -0.209 175.326 175.510 0.040 0.000 1.103 256 N CA 0.121 53.202 53.050 0.051 0.000 0.954 256 N CB 0.997 39.515 38.487 0.051 0.000 1.085 256 N HN 0.393 nan 8.380 nan 0.000 0.485 257 I N 1.794 122.387 120.570 0.039 0.000 2.582 257 I HA 0.506 4.675 4.170 -0.003 0.000 0.292 257 I C -0.346 175.780 176.117 0.016 0.000 1.066 257 I CA -1.220 60.105 61.300 0.041 0.000 1.053 257 I CB 1.697 39.739 38.000 0.070 0.000 1.241 257 I HN 0.177 nan 8.210 nan 0.000 0.421 258 V N 1.084 120.999 119.914 0.001 0.000 3.141 258 V HA 0.680 4.798 4.120 -0.003 0.000 0.312 258 V C -1.035 175.043 176.094 -0.028 0.000 1.157 258 V CA -0.768 61.497 62.300 -0.059 0.000 1.041 258 V CB 1.816 33.574 31.823 -0.108 0.000 1.071 258 V HN 0.911 nan 8.190 nan 0.000 0.441 259 H N 0.629 119.639 119.070 -0.101 0.000 2.529 259 H HA 0.758 5.312 4.556 -0.003 0.000 0.348 259 H C -0.682 174.567 175.328 -0.132 0.000 1.152 259 H CA -1.304 54.673 56.048 -0.119 0.000 1.202 259 H CB 1.681 31.341 29.762 -0.170 0.000 1.562 259 H HN 0.608 nan 8.280 nan 0.000 0.515 260 L N 3.903 125.164 121.223 0.063 0.000 3.084 260 L HA 0.256 4.594 4.340 -0.003 0.000 0.238 260 L C -0.580 176.467 176.870 0.294 0.000 1.327 260 L CA -0.269 54.630 54.840 0.097 0.000 1.094 260 L CB -1.143 40.972 42.059 0.093 0.000 1.477 260 L HN 0.653 nan 8.230 nan 0.000 0.514 261 F N -0.185 119.979 119.950 0.356 0.000 2.183 261 F HA -0.391 4.135 4.527 -0.003 0.000 0.318 261 F C 0.902 176.743 175.800 0.068 0.000 0.129 261 F CA 1.163 59.292 58.000 0.216 0.000 0.912 261 F CB -0.407 38.653 39.000 0.099 0.000 4.135 261 F HN 0.341 nan 8.300 nan 0.000 0.137 262 E N 0.157 120.526 120.200 0.281 0.000 2.355 262 E HA 0.824 5.172 4.350 -0.003 0.000 0.261 262 E C -1.396 175.265 176.600 0.101 0.000 0.943 262 E CA -1.212 55.260 56.400 0.120 0.000 0.806 262 E CB 1.425 31.154 29.700 0.050 0.000 1.286 262 E HN 0.483 nan 8.360 nan 0.000 0.424 263 R N 0.536 121.082 120.500 0.075 0.000 2.510 263 R HA 0.251 4.589 4.340 -0.003 0.000 0.294 263 R C -1.385 174.962 176.300 0.079 0.000 1.056 263 R CA -0.840 55.308 56.100 0.081 0.000 0.918 263 R CB 1.527 31.877 30.300 0.083 0.000 1.187 263 R HN 0.592 nan 8.270 nan 0.000 0.437 264 D N 1.998 122.445 120.400 0.079 0.000 2.371 264 D HA 0.053 4.691 4.640 -0.003 0.000 0.256 264 D C -0.093 176.299 176.300 0.153 0.000 1.193 264 D CA 0.130 54.180 54.000 0.084 0.000 0.881 264 D CB 0.931 41.759 40.800 0.046 0.000 1.143 264 D HN 0.562 nan 8.370 nan 0.000 0.473 265 C N 2.750 122.156 119.300 0.176 0.000 2.976 265 C HA 0.154 4.612 4.460 -0.003 0.000 0.274 265 C C 2.099 177.191 174.990 0.171 0.000 1.487 265 C CA -0.452 58.671 59.018 0.175 0.000 1.789 265 C CB -0.951 26.907 27.740 0.197 0.000 2.771 265 C HN 0.557 nan 8.230 nan 0.000 0.551 266 S N 0.869 116.715 115.700 0.242 0.000 2.383 266 S HA -0.064 4.404 4.470 -0.003 0.000 0.227 266 S C 1.001 175.762 174.600 0.269 0.000 1.026 266 S CA 0.918 59.270 58.200 0.252 0.000 0.981 266 S CB -0.056 63.274 63.200 0.217 0.000 0.818 266 S HN 0.518 nan 8.310 nan 0.000 0.472 267 V N 4.336 124.427 119.914 0.294 0.000 2.400 267 V HA 0.136 4.254 4.120 -0.003 0.000 0.263 267 V C -0.013 176.152 176.094 0.119 0.000 1.026 267 V CA 0.183 62.605 62.300 0.202 0.000 1.077 267 V CB -0.990 30.865 31.823 0.054 0.000 1.054 267 V HN 0.489 nan 8.190 nan 0.000 0.477 268 Q N 4.034 123.901 119.800 0.113 0.000 2.320 268 Q HA 0.493 4.831 4.340 -0.003 0.000 0.272 268 Q C 0.505 176.529 176.000 0.041 0.000 1.023 268 Q CA -1.072 54.753 55.803 0.036 0.000 0.855 268 Q CB 1.816 30.519 28.738 -0.058 0.000 1.367 268 Q HN 0.566 nan 8.270 nan 0.000 0.406 269 R N 1.402 121.909 120.500 0.012 0.000 2.062 269 R HA 0.147 4.486 4.340 -0.003 0.000 0.226 269 R C 0.749 177.026 176.300 -0.039 0.000 1.125 269 R CA 0.687 56.778 56.100 -0.016 0.000 0.966 269 R CB 0.219 30.442 30.300 -0.129 0.000 0.861 269 R HN 0.620 nan 8.270 nan 0.000 0.433 270 R N -1.553 118.915 120.500 -0.054 0.000 2.546 270 R HA 0.175 4.513 4.340 -0.003 0.000 0.110 270 R C 0.945 177.240 176.300 -0.008 0.000 1.422 270 R CA -0.192 55.894 56.100 -0.023 0.000 1.204 270 R CB -0.051 30.232 30.300 -0.028 0.000 1.036 270 R HN 0.137 nan 8.270 nan 0.000 0.417 271 H N 0.653 119.686 119.070 -0.060 0.000 2.594 271 H HA 0.244 4.798 4.556 -0.003 0.000 0.279 271 H C -0.402 174.885 175.328 -0.068 0.000 1.042 271 H CA -0.074 55.936 56.048 -0.062 0.000 1.177 271 H CB 0.747 30.481 29.762 -0.047 0.000 1.524 271 H HN 0.021 nan 8.280 nan 0.000 0.537 272 Q N 1.897 121.702 119.800 0.009 0.000 2.331 272 Q HA 0.149 4.487 4.340 -0.003 0.000 0.257 272 Q C -0.680 175.295 176.000 -0.041 0.000 0.957 272 Q CA -0.720 55.077 55.803 -0.011 0.000 0.923 272 Q CB 0.632 29.359 28.738 -0.018 0.000 1.212 272 Q HN 0.284 nan 8.270 nan 0.000 0.443 273 K N 2.395 122.764 120.400 -0.052 0.000 2.448 273 K HA 0.045 4.364 4.320 -0.003 0.000 0.278 273 K C 0.260 176.862 176.600 0.002 0.000 1.009 273 K CA -0.247 56.013 56.287 -0.044 0.000 0.995 273 K CB 1.172 33.640 32.500 -0.054 0.000 0.917 273 K HN 0.454 nan 8.250 nan 0.000 0.481 274 V N 2.149 122.077 119.914 0.023 0.000 3.001 274 V HA 0.042 4.161 4.120 -0.003 0.000 0.228 274 V C 0.035 176.139 176.094 0.016 0.000 1.204 274 V CA 0.166 62.495 62.300 0.048 0.000 1.247 274 V CB 0.956 32.833 31.823 0.090 0.000 1.093 274 V HN 0.445 nan 8.190 nan 0.000 0.504 275 V N 1.288 121.203 119.914 0.002 0.000 2.588 275 V HA 0.561 4.679 4.120 -0.003 0.000 0.304 275 V C -1.035 175.111 176.094 0.086 0.000 1.042 275 V CA -0.543 61.754 62.300 -0.005 0.000 0.877 275 V CB 1.830 33.560 31.823 -0.155 0.000 0.996 275 V HN 0.456 nan 8.190 nan 0.000 0.425 276 E N 2.537 122.801 120.200 0.106 0.000 2.221 276 E HA 0.791 5.139 4.350 -0.003 0.000 0.268 276 E C -1.219 175.498 176.600 0.194 0.000 0.933 276 E CA -0.539 55.947 56.400 0.143 0.000 0.809 276 E CB 2.499 32.254 29.700 0.092 0.000 1.190 276 E HN 0.426 nan 8.360 nan 0.000 0.406 277 V N 0.770 120.808 119.914 0.206 0.000 2.789 277 V HA 0.861 4.979 4.120 -0.003 0.000 0.311 277 V C -0.959 175.227 176.094 0.154 0.000 1.073 277 V CA -0.894 61.535 62.300 0.216 0.000 0.921 277 V CB 1.819 33.778 31.823 0.228 0.000 1.009 277 V HN 0.756 nan 8.190 nan 0.000 0.426 278 A N 6.208 129.127 122.820 0.164 0.000 2.408 278 A HA 0.960 5.278 4.320 -0.003 0.000 0.295 278 A C -2.857 174.802 177.584 0.126 0.000 1.040 278 A CA -1.481 50.627 52.037 0.118 0.000 0.707 278 A CB 2.194 21.243 19.000 0.082 0.000 1.235 278 A HN 0.558 nan 8.150 nan 0.000 0.418 279 P HA 0.301 nan 4.420 nan 0.000 0.343 279 P C 0.183 177.532 177.300 0.083 0.000 1.358 279 P CA -0.251 62.868 63.100 0.033 0.000 0.802 279 P CB 0.505 32.140 31.700 -0.109 0.000 1.886 280 S N -0.948 114.764 115.700 0.021 0.000 2.537 280 S HA 0.321 4.790 4.470 -0.003 0.000 0.275 280 S C -0.169 174.391 174.600 -0.067 0.000 1.272 280 S CA -0.501 57.668 58.200 -0.052 0.000 1.050 280 S CB 0.023 63.169 63.200 -0.089 0.000 0.961 280 S HN 0.077 nan 8.310 nan 0.000 0.496 281 V N 3.353 123.104 119.914 -0.272 0.000 2.407 281 V HA 0.629 4.747 4.120 -0.003 0.000 0.278 281 V C 1.277 177.168 176.094 -0.337 0.000 1.037 281 V CA 0.382 62.434 62.300 -0.413 0.000 0.900 281 V CB 0.360 31.628 31.823 -0.925 0.000 0.983 281 V HN 1.196 nan 8.190 nan 0.000 0.459 282 G N 4.324 112.988 108.800 -0.227 0.000 2.299 282 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.237 282 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.237 282 G C -0.003 174.811 174.900 -0.144 0.000 1.027 282 G CA 0.249 45.240 45.100 -0.182 0.000 0.619 282 G HN 0.716 nan 8.290 nan 0.000 0.513 283 L N 3.213 124.345 121.223 -0.152 0.000 2.418 283 L HA 0.606 4.945 4.340 -0.003 0.000 0.274 283 L C 1.326 178.144 176.870 -0.086 0.000 1.135 283 L CA 0.492 55.259 54.840 -0.121 0.000 0.870 283 L CB 0.828 42.808 42.059 -0.132 0.000 1.154 283 L HN 0.766 nan 8.230 nan 0.000 0.462 284 S N 4.933 120.589 115.700 -0.073 0.000 2.566 284 S HA 0.169 4.638 4.470 -0.003 0.000 0.280 284 S C -1.656 172.915 174.600 -0.049 0.000 1.343 284 S CA -0.618 57.550 58.200 -0.054 0.000 1.036 284 S CB 0.438 63.611 63.200 -0.046 0.000 0.866 284 S HN 0.644 nan 8.310 nan 0.000 0.526 285 P HA -0.123 nan 4.420 nan 0.000 0.215 285 P C 1.864 179.149 177.300 -0.026 0.000 1.153 285 P CA 2.027 65.114 63.100 -0.021 0.000 0.853 285 P CB -0.435 31.258 31.700 -0.012 0.000 0.788 286 T N -2.768 111.768 114.554 -0.031 0.000 2.777 286 T HA -0.110 4.239 4.350 -0.003 0.000 0.266 286 T C 1.898 176.565 174.700 -0.057 0.000 1.040 286 T CA 0.917 62.997 62.100 -0.034 0.000 1.141 286 T CB -1.324 67.529 68.868 -0.024 0.000 0.868 286 T HN -0.014 nan 8.240 nan 0.000 0.444 287 L N 0.500 121.685 121.223 -0.064 0.000 1.989 287 L HA -0.083 4.255 4.340 -0.003 0.000 0.211 287 L C 3.305 180.068 176.870 -0.178 0.000 1.071 287 L CA 1.732 56.513 54.840 -0.098 0.000 0.749 287 L CB -0.508 41.500 42.059 -0.086 0.000 0.890 287 L HN 0.225 nan 8.230 nan 0.000 0.431 288 R N -0.411 120.008 120.500 -0.134 0.000 2.133 288 R HA -0.323 4.015 4.340 -0.003 0.000 0.245 288 R C 2.356 178.549 176.300 -0.178 0.000 1.137 288 R CA 2.494 58.518 56.100 -0.127 0.000 0.947 288 R CB -0.288 29.996 30.300 -0.026 0.000 0.865 288 R HN 0.298 nan 8.270 nan 0.000 0.437 289 Q N 0.047 119.771 119.800 -0.126 0.000 2.050 289 Q HA -0.129 4.209 4.340 -0.003 0.000 0.202 289 Q C 2.109 177.970 176.000 -0.232 0.000 0.980 289 Q CA 1.802 57.521 55.803 -0.139 0.000 0.840 289 Q CB 0.026 28.727 28.738 -0.063 0.000 0.898 289 Q HN 0.300 nan 8.270 nan 0.000 0.424 290 R N -0.306 120.051 120.500 -0.238 0.000 2.073 290 R HA -0.114 4.225 4.340 -0.003 0.000 0.234 290 R C 2.337 178.240 176.300 -0.662 0.000 1.134 290 R CA 1.647 57.581 56.100 -0.277 0.000 0.952 290 R CB -0.547 29.710 30.300 -0.071 0.000 0.850 290 R HN 0.353 nan 8.270 nan 0.000 0.433 291 I N 0.316 120.309 120.570 -0.962 0.000 2.226 291 I HA -0.322 3.846 4.170 -0.003 0.000 0.245 291 I C 2.560 178.143 176.117 -0.889 0.000 1.100 291 I CA 1.022 61.498 61.300 -1.373 0.000 1.374 291 I CB -0.405 36.916 38.000 -1.130 0.000 1.057 291 I HN 0.208 nan 8.210 nan 0.000 0.413 292 C N 0.664 119.594 119.300 -0.617 0.000 2.436 292 C HA -0.182 4.276 4.460 -0.003 0.000 0.277 292 C C 2.491 177.204 174.990 -0.462 0.000 1.241 292 C CA 0.938 59.581 59.018 -0.625 0.000 1.721 292 C CB -0.964 26.257 27.740 -0.865 0.000 2.043 292 C HN 0.517 nan 8.230 nan 0.000 0.472 293 D N 0.637 120.827 120.400 -0.349 0.000 2.218 293 D HA -0.061 4.577 4.640 -0.003 0.000 0.204 293 D C 2.206 178.436 176.300 -0.116 0.000 0.976 293 D CA 1.464 55.355 54.000 -0.182 0.000 0.853 293 D CB -0.381 40.345 40.800 -0.123 0.000 0.939 293 D HN 0.530 nan 8.370 nan 0.000 0.481 294 A N 1.047 123.763 122.820 -0.172 0.000 1.873 294 A HA -0.008 4.310 4.320 -0.003 0.000 0.215 294 A C 2.335 179.988 177.584 0.114 0.000 1.186 294 A CA 1.973 54.010 52.037 -0.000 0.000 0.616 294 A CB -0.656 18.327 19.000 -0.029 0.000 0.823 294 A HN 0.223 nan 8.150 nan 0.000 0.442 295 A N -0.342 122.531 122.820 0.087 0.000 1.902 295 A HA -0.070 4.248 4.320 -0.003 0.000 0.217 295 A C 2.121 179.724 177.584 0.032 0.000 1.181 295 A CA 1.547 53.673 52.037 0.149 0.000 0.623 295 A CB -0.525 18.550 19.000 0.126 0.000 0.818 295 A HN 0.485 nan 8.150 nan 0.000 0.443 296 I N -0.976 119.589 120.570 -0.008 0.000 2.617 296 I HA -0.205 3.963 4.170 -0.003 0.000 0.256 296 I C 2.693 178.827 176.117 0.028 0.000 1.167 296 I CA 1.232 62.542 61.300 0.016 0.000 1.469 296 I CB -0.152 37.871 38.000 0.037 0.000 1.098 296 I HN 0.535 nan 8.210 nan 0.000 0.436 297 Q N 0.698 120.514 119.800 0.026 0.000 2.119 297 Q HA -0.239 4.099 4.340 -0.003 0.000 0.201 297 Q C 2.256 178.282 176.000 0.043 0.000 0.972 297 Q CA 1.470 57.294 55.803 0.036 0.000 0.847 297 Q CB 0.085 28.845 28.738 0.038 0.000 0.903 297 Q HN 0.448 nan 8.270 nan 0.000 0.433 298 L N -0.183 121.064 121.223 0.039 0.000 2.044 298 L HA -0.137 4.201 4.340 -0.003 0.000 0.205 298 L C 2.079 178.985 176.870 0.060 0.000 1.075 298 L CA 1.419 56.275 54.840 0.026 0.000 0.747 298 L CB -0.172 41.870 42.059 -0.027 0.000 0.903 298 L HN 0.270 nan 8.230 nan 0.000 0.435 299 M N -1.079 118.539 119.600 0.031 0.000 2.349 299 M HA -0.101 4.378 4.480 -0.003 0.000 0.266 299 M C 2.069 178.453 176.300 0.139 0.000 1.076 299 M CA 1.188 56.522 55.300 0.056 0.000 1.126 299 M CB -1.088 31.465 32.600 -0.079 0.000 1.392 299 M HN 0.388 nan 8.290 nan 0.000 0.440 300 E N 0.324 120.583 120.200 0.100 0.000 2.427 300 E HA -0.137 4.211 4.350 -0.003 0.000 0.196 300 E C 1.585 178.248 176.600 0.104 0.000 1.028 300 E CA 0.320 56.782 56.400 0.102 0.000 0.864 300 E CB 0.146 29.889 29.700 0.072 0.000 0.813 300 E HN 0.349 nan 8.360 nan 0.000 0.514 301 N N 0.677 119.440 118.700 0.105 0.000 2.290 301 N HA -0.072 4.666 4.740 -0.003 0.000 0.179 301 N C 1.746 177.332 175.510 0.127 0.000 1.016 301 N CA 0.853 53.961 53.050 0.096 0.000 0.871 301 N CB 0.079 38.610 38.487 0.073 0.000 0.987 301 N HN 0.297 nan 8.380 nan 0.000 0.431 302 I N -2.065 118.621 120.570 0.193 0.000 3.684 302 I HA 0.235 4.404 4.170 -0.003 0.000 0.304 302 I C -0.596 175.729 176.117 0.346 0.000 1.278 302 I CA -0.096 61.360 61.300 0.260 0.000 1.272 302 I CB -0.380 37.849 38.000 0.381 0.000 1.029 302 I HN -0.147 nan 8.210 nan 0.000 0.458 303 K N 0.918 121.489 120.400 0.285 0.000 3.619 303 K HA -0.269 4.049 4.320 -0.003 0.000 0.275 303 K C -0.461 176.377 176.600 0.395 0.000 0.993 303 K CA 0.458 56.910 56.287 0.275 0.000 0.787 303 K CB -2.436 30.186 32.500 0.204 0.000 1.431 303 K HN 0.571 nan 8.250 nan 0.000 0.451 304 Y N 0.533 120.916 120.300 0.138 0.000 2.309 304 Y HA 0.347 4.896 4.550 -0.003 0.000 0.327 304 Y C 0.337 176.164 175.900 -0.122 0.000 1.172 304 Y CA -0.524 57.474 58.100 -0.170 0.000 1.280 304 Y CB 0.928 39.287 38.460 -0.168 0.000 1.234 304 Y HN 0.085 nan 8.280 nan 0.000 0.512 305 V N 7.088 126.478 119.914 -0.873 0.000 2.555 305 V HA 0.307 4.426 4.120 -0.003 0.000 0.302 305 V C 0.046 175.713 176.094 -0.711 0.000 1.038 305 V CA -1.028 60.928 62.300 -0.574 0.000 0.887 305 V CB 1.180 32.706 31.823 -0.494 0.000 0.991 305 V HN 1.112 nan 8.190 nan 0.000 0.434 306 N N 1.361 119.874 118.700 -0.312 0.000 6.891 306 N HA -0.165 4.573 4.740 -0.003 0.000 0.420 306 N C -0.108 175.426 175.510 0.040 0.000 0.939 306 N CA 0.620 53.564 53.050 -0.176 0.000 1.300 306 N CB -0.286 38.051 38.487 -0.249 0.000 0.824 306 N HN 1.101 nan 8.380 nan 0.000 0.284 307 A N 0.050 122.907 122.820 0.061 0.000 2.440 307 A HA 0.588 4.906 4.320 -0.003 0.000 0.251 307 A C 0.751 178.489 177.584 0.258 0.000 1.089 307 A CA 0.924 53.045 52.037 0.140 0.000 0.779 307 A CB 0.315 19.357 19.000 0.070 0.000 1.022 307 A HN 0.922 nan 8.150 nan 0.000 0.492 308 G N 0.239 109.139 108.800 0.167 0.000 2.704 308 G HA2 0.594 4.552 3.960 -0.003 0.000 0.293 308 G HA3 0.594 4.552 3.960 -0.003 0.000 0.293 308 G C -0.953 173.888 174.900 -0.098 0.000 1.421 308 G CA -0.362 44.731 45.100 -0.011 0.000 0.870 308 G HN 0.760 nan 8.290 nan 0.000 0.492 309 T N 0.019 114.497 114.554 -0.126 0.000 2.863 309 T HA 0.611 4.959 4.350 -0.003 0.000 0.285 309 T C -0.555 174.036 174.700 -0.183 0.000 1.009 309 T CA -0.437 61.601 62.100 -0.103 0.000 0.989 309 T CB 1.903 70.746 68.868 -0.040 0.000 1.004 309 T HN 0.516 nan 8.240 nan 0.000 0.455 310 V N 2.911 122.736 119.914 -0.147 0.000 2.378 310 V HA 0.373 4.491 4.120 -0.003 0.000 0.288 310 V C -0.029 175.883 176.094 -0.304 0.000 1.016 310 V CA -0.923 61.236 62.300 -0.235 0.000 0.840 310 V CB 1.426 33.170 31.823 -0.131 0.000 0.994 310 V HN 0.831 nan 8.190 nan 0.000 0.431 311 E N 4.533 124.446 120.200 -0.479 0.000 2.167 311 E HA 0.534 4.882 4.350 -0.003 0.000 0.284 311 E C -1.200 174.982 176.600 -0.696 0.000 1.016 311 E CA -0.064 56.062 56.400 -0.458 0.000 0.817 311 E CB 1.536 31.037 29.700 -0.332 0.000 1.080 311 E HN 0.522 nan 8.360 nan 0.000 0.397 312 F N 1.428 121.202 119.950 -0.293 0.000 2.631 312 F HA 0.537 5.062 4.527 -0.003 0.000 0.350 312 F C -0.234 175.432 175.800 -0.224 0.000 1.080 312 F CA -1.093 56.808 58.000 -0.165 0.000 1.026 312 F CB 1.032 39.985 39.000 -0.079 0.000 1.347 312 F HN 0.252 nan 8.300 nan 0.000 0.501 313 L N 0.437 121.797 121.223 0.227 0.000 2.409 313 L HA 0.784 5.123 4.340 -0.003 0.000 0.262 313 L C -1.450 175.541 176.870 0.203 0.000 0.992 313 L CA -0.669 54.267 54.840 0.160 0.000 0.817 313 L CB 2.252 44.447 42.059 0.225 0.000 1.350 313 L HN 0.296 nan 8.230 nan 0.000 0.411 314 V N 2.335 122.327 119.914 0.130 0.000 2.588 314 V HA 0.680 4.798 4.120 -0.003 0.000 0.304 314 V C -0.220 175.929 176.094 0.092 0.000 1.042 314 V CA -0.416 61.936 62.300 0.087 0.000 0.877 314 V CB 1.818 33.648 31.823 0.012 0.000 0.996 314 V HN 0.824 nan 8.190 nan 0.000 0.425 318 D N 1.629 122.017 120.400 -0.019 0.000 2.892 318 D HA 0.452 5.091 4.640 -0.003 0.000 0.291 318 D C -0.338 175.938 176.300 -0.041 0.000 1.341 318 D CA 0.152 54.139 54.000 -0.022 0.000 0.844 318 D CB 1.404 42.190 40.800 -0.023 0.000 1.093 318 D HN 0.415 nan 8.370 nan 0.000 0.480 319 E N 0.225 120.389 120.200 -0.060 0.000 2.366 319 E HA 0.467 4.815 4.350 -0.003 0.000 0.278 319 E C -1.379 175.087 176.600 -0.222 0.000 0.923 319 E CA -0.876 55.391 56.400 -0.221 0.000 0.761 319 E CB 2.022 31.566 29.700 -0.261 0.000 1.231 319 E HN -0.007 nan 8.360 nan 0.000 0.443 320 F N 0.367 119.990 119.950 -0.546 0.000 2.613 320 F HA 0.781 5.307 4.527 -0.003 0.000 0.310 320 F C -1.682 173.730 175.800 -0.647 0.000 1.085 320 F CA -1.033 56.693 58.000 -0.458 0.000 0.945 320 F CB 1.007 39.832 39.000 -0.292 0.000 1.298 320 F HN 0.209 nan 8.300 nan 0.000 0.455 321 F N 2.143 122.299 119.950 0.343 0.000 2.565 321 F HA 0.453 4.979 4.527 -0.003 0.000 0.313 321 F C -0.702 175.343 175.800 0.409 0.000 1.091 321 F CA -1.222 56.948 58.000 0.282 0.000 0.915 321 F CB 1.869 40.945 39.000 0.127 0.000 1.208 321 F HN 0.652 nan 8.300 nan 0.000 0.453 322 F N 4.236 124.418 119.950 0.387 0.000 2.484 322 F HA 0.353 4.878 4.527 -0.003 0.000 0.360 322 F C 0.191 175.991 175.800 0.001 0.000 1.101 322 F CA -0.076 57.951 58.000 0.046 0.000 1.251 322 F CB 0.486 39.495 39.000 0.016 0.000 1.132 322 F HN 0.317 nan 8.300 nan 0.000 0.570 323 I N 2.690 122.652 120.570 -1.014 0.000 3.744 323 I HA 0.200 4.368 4.170 -0.003 0.000 0.240 323 I C -0.069 175.453 176.117 -0.991 0.000 1.096 323 I CA 0.423 61.301 61.300 -0.704 0.000 1.558 323 I CB -0.822 36.945 38.000 -0.388 0.000 1.531 323 I HN 0.655 nan 8.210 nan 0.000 0.459 324 E N 0.305 119.849 120.200 -1.093 0.000 2.445 324 E HA 0.599 4.947 4.350 -0.003 0.000 0.279 324 E C -1.602 174.700 176.600 -0.498 0.000 1.018 324 E CA -0.710 55.311 56.400 -0.632 0.000 0.816 324 E CB 2.713 32.278 29.700 -0.224 0.000 1.356 324 E HN -0.160 nan 8.360 nan 0.000 0.462 325 V N 1.880 121.644 119.914 -0.249 0.000 2.444 325 V HA 0.323 4.441 4.120 -0.003 0.000 0.294 325 V C -0.926 175.041 176.094 -0.211 0.000 1.022 325 V CA -1.003 61.066 62.300 -0.385 0.000 0.850 325 V CB 1.553 32.760 31.823 -1.027 0.000 0.992 325 V HN 0.597 nan 8.190 nan 0.000 0.426 326 N N 7.244 125.854 118.700 -0.150 0.000 2.437 326 N HA 0.281 5.019 4.740 -0.003 0.000 0.243 326 N C -2.437 173.086 175.510 0.021 0.000 1.041 326 N CA -1.282 51.755 53.050 -0.021 0.000 0.940 326 N CB 1.777 40.261 38.487 -0.005 0.000 1.133 326 N HN 0.397 nan 8.380 nan 0.000 0.506 327 P HA 0.159 nan 4.420 nan 0.000 0.228 327 P C -0.621 176.845 177.300 0.276 0.000 1.764 327 P CA -0.028 63.244 63.100 0.288 0.000 0.929 327 P CB 0.079 32.035 31.700 0.426 0.000 1.675 328 R N -2.378 118.238 120.500 0.193 0.000 2.921 328 R HA 0.486 4.824 4.340 -0.003 0.000 0.268 328 R C -0.944 175.431 176.300 0.125 0.000 1.008 328 R CA -1.033 55.162 56.100 0.158 0.000 0.876 328 R CB -0.522 29.890 30.300 0.186 0.000 1.395 328 R HN -0.240 nan 8.270 nan 0.000 0.443 329 V N 0.374 120.364 119.914 0.128 0.000 2.881 329 V HA 0.351 4.469 4.120 -0.003 0.000 0.303 329 V C 0.066 176.229 176.094 0.115 0.000 1.070 329 V CA -0.535 61.827 62.300 0.103 0.000 1.074 329 V CB 0.706 32.572 31.823 0.072 0.000 1.012 329 V HN 0.541 nan 8.190 nan 0.000 0.482 330 Q N 0.758 120.598 119.800 0.067 0.000 2.297 330 Q HA 0.438 4.777 4.340 -0.003 0.000 0.268 330 Q C 0.896 176.857 176.000 -0.064 0.000 1.045 330 Q CA -0.875 54.910 55.803 -0.029 0.000 0.861 330 Q CB 2.164 30.896 28.738 -0.011 0.000 1.344 330 Q HN 0.506 nan 8.270 nan 0.000 0.452 331 V N 0.749 120.416 119.914 -0.411 0.000 2.332 331 V HA -0.269 3.850 4.120 -0.003 0.000 0.248 331 V C 1.783 177.879 176.094 0.003 0.000 1.055 331 V CA 2.163 64.246 62.300 -0.362 0.000 1.038 331 V CB -0.770 30.746 31.823 -0.512 0.000 0.651 331 V HN 0.845 nan 8.190 nan 0.000 0.450 332 E N 1.514 121.699 120.200 -0.024 0.000 2.512 332 E HA -0.184 4.164 4.350 -0.003 0.000 0.195 332 E C 1.780 178.372 176.600 -0.014 0.000 1.083 332 E CA 0.643 57.033 56.400 -0.018 0.000 0.873 332 E CB -0.803 28.895 29.700 -0.002 0.000 0.897 332 E HN 0.906 nan 8.360 nan 0.000 0.514 333 H N 2.259 121.328 119.070 -0.002 0.000 2.319 333 H HA -0.164 4.390 4.556 -0.003 0.000 0.297 333 H C 1.629 176.968 175.328 0.019 0.000 1.097 333 H CA 2.185 58.245 56.048 0.020 0.000 1.285 333 H CB -1.229 28.556 29.762 0.038 0.000 1.368 333 H HN 0.243 nan 8.280 nan 0.000 0.495 334 T N 0.360 114.411 114.554 -0.838 0.000 2.685 334 T HA -0.197 4.152 4.350 -0.003 0.000 0.268 334 T C 2.307 176.881 174.700 -0.209 0.000 1.034 334 T CA 1.487 63.283 62.100 -0.508 0.000 1.149 334 T CB -0.906 67.692 68.868 -0.450 0.000 0.860 334 T HN 0.381 nan 8.240 nan 0.000 0.449 335 I N 1.489 121.973 120.570 -0.143 0.000 2.248 335 I HA -0.235 3.933 4.170 -0.003 0.000 0.248 335 I C 2.405 178.492 176.117 -0.050 0.000 1.107 335 I CA 1.653 62.916 61.300 -0.062 0.000 1.373 335 I CB -0.354 37.644 38.000 -0.004 0.000 1.055 335 I HN 0.346 nan 8.210 nan 0.000 0.418 336 T N -0.078 114.461 114.554 -0.025 0.000 2.896 336 T HA -0.114 4.234 4.350 -0.003 0.000 0.263 336 T C 1.598 176.287 174.700 -0.017 0.000 1.050 336 T CA 0.956 63.062 62.100 0.009 0.000 1.140 336 T CB -0.146 68.758 68.868 0.061 0.000 0.877 336 T HN 0.443 nan 8.240 nan 0.000 0.457 337 E N 1.250 121.429 120.200 -0.035 0.000 2.058 337 E HA -0.121 4.227 4.350 -0.003 0.000 0.194 337 E C 2.182 178.712 176.600 -0.117 0.000 0.997 337 E CA 1.205 57.581 56.400 -0.040 0.000 0.801 337 E CB -0.315 29.371 29.700 -0.023 0.000 0.746 337 E HN 0.476 nan 8.360 nan 0.000 0.450 338 M N 0.639 120.110 119.600 -0.214 0.000 2.149 338 M HA -0.163 4.315 4.480 -0.003 0.000 0.261 338 M C 2.534 178.470 176.300 -0.606 0.000 1.064 338 M CA 1.390 56.408 55.300 -0.469 0.000 1.102 338 M CB -0.250 31.993 32.600 -0.595 0.000 1.369 338 M HN 0.135 nan 8.290 nan 0.000 0.408 339 V N -3.704 116.013 119.914 -0.329 0.000 3.052 339 V HA 0.006 4.124 4.120 -0.003 0.000 0.254 339 V C 1.954 178.005 176.094 -0.072 0.000 1.100 339 V CA 1.532 63.740 62.300 -0.153 0.000 1.112 339 V CB -1.219 30.556 31.823 -0.079 0.000 0.738 339 V HN 0.573 nan 8.190 nan 0.000 0.469 340 T N -3.637 110.890 114.554 -0.046 0.000 3.001 340 T HA 0.408 4.756 4.350 -0.003 0.000 0.251 340 T C 1.727 176.431 174.700 0.007 0.000 1.040 340 T CA 0.952 63.059 62.100 0.011 0.000 0.985 340 T CB 0.382 69.289 68.868 0.065 0.000 1.011 340 T HN 1.544 nan 8.240 nan 0.000 0.509 341 G N 1.560 110.348 108.800 -0.020 0.000 2.155 341 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.257 341 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.257 341 G C -0.079 174.827 174.900 0.011 0.000 0.983 341 G CA 0.344 45.442 45.100 -0.004 0.000 0.676 341 G HN 0.684 nan 8.290 nan 0.000 0.528 342 I N 0.694 121.274 120.570 0.016 0.000 2.378 342 I HA 0.312 4.480 4.170 -0.003 0.000 0.291 342 I C -0.330 175.812 176.117 0.041 0.000 0.992 342 I CA -0.920 60.398 61.300 0.029 0.000 1.154 342 I CB 1.701 39.720 38.000 0.032 0.000 1.315 342 I HN -0.042 nan 8.210 nan 0.000 0.448 343 D N 6.545 126.973 120.400 0.046 0.000 2.374 343 D HA 0.201 4.839 4.640 -0.003 0.000 0.240 343 D C 0.932 177.276 176.300 0.072 0.000 1.229 343 D CA 0.211 54.249 54.000 0.064 0.000 0.895 343 D CB 0.848 41.681 40.800 0.056 0.000 1.046 343 D HN 0.427 nan 8.370 nan 0.000 0.498 344 I N 3.140 123.772 120.570 0.104 0.000 2.163 344 I HA -0.259 3.909 4.170 -0.003 0.000 0.240 344 I C 2.385 178.539 176.117 0.061 0.000 1.081 344 I CA 0.599 61.954 61.300 0.092 0.000 1.353 344 I CB 0.030 38.112 38.000 0.136 0.000 1.054 344 I HN 0.287 nan 8.210 nan 0.000 0.407 345 V N 0.915 120.860 119.914 0.052 0.000 2.261 345 V HA -0.335 3.783 4.120 -0.003 0.000 0.246 345 V C 2.514 178.644 176.094 0.060 0.000 1.047 345 V CA 2.213 64.528 62.300 0.025 0.000 1.015 345 V CB -0.735 31.059 31.823 -0.048 0.000 0.642 345 V HN 0.397 nan 8.190 nan 0.000 0.446 346 K N -0.142 120.290 120.400 0.054 0.000 2.074 346 K HA -0.218 4.101 4.320 -0.003 0.000 0.209 346 K C 2.146 178.771 176.600 0.041 0.000 1.048 346 K CA 2.165 58.483 56.287 0.051 0.000 0.926 346 K CB -0.454 32.076 32.500 0.049 0.000 0.713 346 K HN 0.521 nan 8.250 nan 0.000 0.444 347 T N 1.169 115.745 114.554 0.036 0.000 2.652 347 T HA -0.195 4.153 4.350 -0.003 0.000 0.267 347 T C 1.728 176.428 174.700 0.001 0.000 1.039 347 T CA 1.712 63.824 62.100 0.020 0.000 1.153 347 T CB -0.263 68.618 68.868 0.023 0.000 0.863 347 T HN 0.398 nan 8.240 nan 0.000 0.428 348 Q N 0.329 120.130 119.800 0.001 0.000 2.096 348 Q HA -0.137 4.201 4.340 -0.003 0.000 0.208 348 Q C 2.400 178.359 176.000 -0.068 0.000 0.993 348 Q CA 1.662 57.435 55.803 -0.048 0.000 0.862 348 Q CB -0.569 28.145 28.738 -0.040 0.000 0.915 348 Q HN 0.563 nan 8.270 nan 0.000 0.416 349 I N 0.420 120.986 120.570 -0.007 0.000 2.226 349 I HA -0.286 3.883 4.170 -0.003 0.000 0.245 349 I C 2.170 178.280 176.117 -0.011 0.000 1.100 349 I CA 1.091 62.393 61.300 0.003 0.000 1.374 349 I CB -0.367 37.668 38.000 0.059 0.000 1.057 349 I HN 0.192 nan 8.210 nan 0.000 0.413 350 L N -0.052 121.169 121.223 -0.003 0.000 2.156 350 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 350 L C 2.497 179.351 176.870 -0.027 0.000 1.095 350 L CA 0.650 55.488 54.840 -0.003 0.000 0.770 350 L CB -0.417 41.647 42.059 0.009 0.000 0.914 350 L HN 0.075 nan 8.230 nan 0.000 0.439 351 V N -0.096 119.786 119.914 -0.054 0.000 2.453 351 V HA -0.152 3.966 4.120 -0.003 0.000 0.247 351 V C 2.518 178.543 176.094 -0.115 0.000 1.048 351 V CA 1.593 63.836 62.300 -0.094 0.000 1.049 351 V CB -0.582 31.176 31.823 -0.109 0.000 0.672 351 V HN 0.449 nan 8.190 nan 0.000 0.457 352 A N -0.346 122.408 122.820 -0.109 0.000 2.206 352 A HA 0.294 4.613 4.320 -0.003 0.000 0.211 352 A C 2.021 179.575 177.584 -0.050 0.000 1.158 352 A CA 1.118 53.094 52.037 -0.102 0.000 0.761 352 A CB -0.321 18.598 19.000 -0.135 0.000 0.801 352 A HN 0.522 nan 8.150 nan 0.000 0.473 353 A N -2.042 120.759 122.820 -0.032 0.000 2.345 353 A HA 0.462 4.780 4.320 -0.003 0.000 0.225 353 A C 1.742 179.338 177.584 0.020 0.000 1.243 353 A CA 1.066 53.103 52.037 0.000 0.000 0.875 353 A CB -0.590 18.416 19.000 0.010 0.000 0.929 353 A HN 1.643 nan 8.150 nan 0.000 0.502 354 G N -0.611 108.191 108.800 0.005 0.000 2.420 354 G HA2 0.014 3.972 3.960 -0.003 0.000 0.221 354 G HA3 0.014 3.972 3.960 -0.003 0.000 0.221 354 G C 0.815 175.783 174.900 0.114 0.000 1.117 354 G CA 0.186 45.322 45.100 0.060 0.000 0.657 354 G HN 1.796 nan 8.290 nan 0.000 0.512 355 A N 0.919 123.791 122.820 0.086 0.000 2.603 355 A HA 0.367 4.685 4.320 -0.003 0.000 0.235 355 A C 1.238 178.891 177.584 0.114 0.000 1.035 355 A CA 1.529 53.629 52.037 0.105 0.000 0.755 355 A CB 0.030 19.063 19.000 0.055 0.000 0.954 355 A HN 0.544 nan 8.150 nan 0.000 0.511 356 D N 1.277 121.788 120.400 0.186 0.000 1.989 356 D HA 0.343 4.982 4.640 -0.003 0.000 0.259 356 D C 1.141 177.492 176.300 0.085 0.000 0.992 356 D CA 2.022 56.141 54.000 0.198 0.000 0.912 356 D CB -0.003 40.906 40.800 0.182 0.000 1.083 356 D HN 1.336 nan 8.370 nan 0.000 0.441 357 G N -0.068 108.753 108.800 0.035 0.000 2.378 357 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.198 357 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.198 357 G C 0.436 175.352 174.900 0.027 0.000 1.223 357 G CA 0.268 45.387 45.100 0.032 0.000 1.088 357 G HN 0.315 nan 8.290 nan 0.000 0.530 358 E N 0.370 120.586 120.200 0.026 0.000 2.285 358 E HA 0.015 4.364 4.350 -0.003 0.000 0.194 358 E C 2.220 178.835 176.600 0.025 0.000 0.997 358 E CA 1.552 57.967 56.400 0.023 0.000 0.845 358 E CB 0.133 29.846 29.700 0.022 0.000 0.782 358 E HN 0.526 nan 8.360 nan 0.000 0.491 359 E N 0.382 120.599 120.200 0.028 0.000 2.030 359 E HA -0.027 4.321 4.350 -0.003 0.000 0.189 359 E C 1.992 178.608 176.600 0.026 0.000 0.974 359 E CA 0.637 57.054 56.400 0.028 0.000 0.807 359 E CB -0.104 29.614 29.700 0.030 0.000 0.771 359 E HN 0.104 nan 8.360 nan 0.000 0.451 360 I N 0.380 120.965 120.570 0.025 0.000 2.400 360 I HA -0.006 4.162 4.170 -0.003 0.000 0.248 360 I C -0.191 175.939 176.117 0.022 0.000 1.109 360 I CA 0.222 61.535 61.300 0.022 0.000 1.425 360 I CB -0.788 37.223 38.000 0.018 0.000 1.094 360 I HN 0.026 nan 8.210 nan 0.000 0.425 361 N N 0.281 118.994 118.700 0.022 0.000 4.151 361 N HA -0.135 4.604 4.740 -0.003 0.000 0.324 361 N C -2.655 172.864 175.510 0.016 0.000 2.004 361 N CA 0.259 53.320 53.050 0.019 0.000 3.129 361 N CB -0.777 37.722 38.487 0.020 0.000 0.268 361 N HN 0.181 nan 8.380 nan 0.000 0.884 362 P HA 0.324 nan 4.420 nan 0.000 0.319 362 P C -1.451 175.839 177.300 -0.017 0.000 1.486 362 P CA -0.762 62.336 63.100 -0.003 0.000 1.201 362 P CB 1.688 33.390 31.700 0.003 0.000 1.579 363 Q N 1.175 120.966 119.800 -0.014 0.000 2.349 363 Q HA -0.066 4.273 4.340 -0.003 0.000 0.287 363 Q C 1.370 177.342 176.000 -0.047 0.000 1.044 363 Q CA 0.669 56.457 55.803 -0.025 0.000 0.918 363 Q CB 0.600 29.330 28.738 -0.014 0.000 1.242 363 Q HN 0.327 nan 8.270 nan 0.000 0.405 364 Q N 2.912 122.666 119.800 -0.078 0.000 2.156 364 Q HA -0.280 4.058 4.340 -0.003 0.000 0.211 364 Q C 0.933 176.871 176.000 -0.103 0.000 0.995 364 Q CA 2.383 58.100 55.803 -0.144 0.000 0.877 364 Q CB 0.083 28.725 28.738 -0.159 0.000 0.920 364 Q HN 0.618 nan 8.270 nan 0.000 0.416 365 K N 0.129 120.500 120.400 -0.048 0.000 2.063 365 K HA -0.148 4.170 4.320 -0.003 0.000 0.208 365 K C 1.378 177.983 176.600 0.009 0.000 1.048 365 K CA 1.553 57.833 56.287 -0.012 0.000 0.928 365 K CB -0.333 32.164 32.500 -0.004 0.000 0.713 365 K HN 0.392 nan 8.250 nan 0.000 0.442 366 D N 0.671 121.072 120.400 0.002 0.000 2.349 366 D HA 0.072 4.710 4.640 -0.003 0.000 0.224 366 D C 0.611 176.929 176.300 0.030 0.000 1.029 366 D CA 0.220 54.229 54.000 0.016 0.000 0.879 366 D CB 0.118 40.923 40.800 0.009 0.000 0.906 366 D HN 0.191 nan 8.370 nan 0.000 0.528 367 I N 1.822 122.408 120.570 0.027 0.000 2.396 367 I HA 0.055 4.223 4.170 -0.003 0.000 0.289 367 I C 0.738 177.001 176.117 0.244 0.000 1.056 367 I CA 0.171 61.517 61.300 0.077 0.000 1.365 367 I CB 0.806 38.793 38.000 -0.022 0.000 1.407 367 I HN -0.142 nan 8.210 nan 0.000 0.509 368 T N 0.754 115.433 114.554 0.209 0.000 2.778 368 T HA 0.567 4.916 4.350 -0.003 0.000 0.293 368 T C -0.228 174.432 174.700 -0.067 0.000 1.144 368 T CA -0.898 61.279 62.100 0.128 0.000 1.010 368 T CB 1.793 70.671 68.868 0.017 0.000 1.325 368 T HN 0.522 nan 8.240 nan 0.000 0.515 369 T N -0.562 113.795 114.554 -0.328 0.000 2.902 369 T HA 0.691 5.040 4.350 -0.003 0.000 0.283 369 T C -0.815 173.765 174.700 -0.200 0.000 1.009 369 T CA -0.857 61.063 62.100 -0.299 0.000 1.051 369 T CB 1.093 69.673 68.868 -0.481 0.000 0.999 369 T HN 0.641 nan 8.240 nan 0.000 0.474 370 L N 3.439 124.597 121.223 -0.108 0.000 2.316 370 L HA 0.654 4.992 4.340 -0.003 0.000 0.280 370 L C 0.743 177.613 176.870 -0.001 0.000 1.006 370 L CA 1.030 55.844 54.840 -0.043 0.000 0.836 370 L CB 0.481 42.569 42.059 0.048 0.000 1.221 370 L HN 1.360 nan 8.230 nan 0.000 0.418 371 G N 2.800 111.508 108.800 -0.153 0.000 2.641 371 G HA2 -0.310 3.649 3.960 -0.003 0.000 0.254 371 G HA3 -0.310 3.649 3.960 -0.003 0.000 0.254 371 G C -0.939 173.758 174.900 -0.339 0.000 1.315 371 G CA 0.314 45.297 45.100 -0.195 0.000 0.907 371 G HN 0.587 nan 8.290 nan 0.000 0.572 372 Y N -0.273 120.080 120.300 0.088 0.000 2.562 372 Y HA 0.699 5.247 4.550 -0.003 0.000 0.343 372 Y C 0.733 176.767 175.900 0.224 0.000 1.025 372 Y CA -0.077 58.110 58.100 0.145 0.000 1.082 372 Y CB 2.300 40.868 38.460 0.181 0.000 1.264 372 Y HN 1.167 nan 8.280 nan 0.000 0.478 373 A N 2.491 125.523 122.820 0.353 0.000 2.414 373 A HA 0.886 5.205 4.320 -0.003 0.000 0.306 373 A C -1.427 176.288 177.584 0.219 0.000 1.054 373 A CA -0.637 51.550 52.037 0.251 0.000 0.724 373 A CB 0.951 20.032 19.000 0.134 0.000 1.267 373 A HN 0.686 nan 8.150 nan 0.000 0.418 374 I N 0.866 121.537 120.570 0.168 0.000 2.608 374 I HA 0.520 4.688 4.170 -0.003 0.000 0.295 374 I C -0.283 175.889 176.117 0.091 0.000 1.049 374 I CA -0.439 60.962 61.300 0.170 0.000 1.063 374 I CB 2.290 40.406 38.000 0.194 0.000 1.248 374 I HN 0.801 nan 8.210 nan 0.000 0.424 375 Q N 4.927 124.774 119.800 0.079 0.000 2.397 375 Q HA 0.740 5.078 4.340 -0.003 0.000 0.275 375 Q C -1.519 174.494 176.000 0.021 0.000 1.090 375 Q CA -0.615 55.208 55.803 0.034 0.000 0.809 375 Q CB 2.924 31.670 28.738 0.013 0.000 1.362 375 Q HN 0.941 nan 8.270 nan 0.000 0.431 376 C N 0.699 120.004 119.300 0.008 0.000 3.291 376 C HA 0.863 5.322 4.460 -0.003 0.000 0.316 376 C C -1.402 173.602 174.990 0.024 0.000 1.391 376 C CA -0.979 58.042 59.018 0.006 0.000 1.394 376 C CB 1.654 29.382 27.740 -0.020 0.000 1.744 376 C HN 0.941 nan 8.230 nan 0.000 0.461 377 R N 1.306 121.830 120.500 0.041 0.000 2.445 377 R HA 0.715 5.053 4.340 -0.003 0.000 0.308 377 R C -0.429 175.914 176.300 0.072 0.000 0.961 377 R CA -0.619 55.516 56.100 0.058 0.000 0.862 377 R CB 0.932 31.269 30.300 0.061 0.000 1.144 377 R HN 0.716 nan 8.270 nan 0.000 0.447 378 I N 3.626 124.241 120.570 0.075 0.000 2.322 378 I HA 0.206 4.374 4.170 -0.003 0.000 0.292 378 I C 0.676 176.843 176.117 0.083 0.000 1.060 378 I CA -0.077 61.270 61.300 0.079 0.000 1.309 378 I CB 0.219 38.272 38.000 0.088 0.000 1.415 378 I HN 0.695 nan 8.210 nan 0.000 0.492 379 T N 0.923 115.523 114.554 0.077 0.000 2.883 379 T HA 0.393 4.741 4.350 -0.003 0.000 0.284 379 T C 0.954 175.678 174.700 0.040 0.000 1.041 379 T CA -0.301 61.840 62.100 0.069 0.000 1.007 379 T CB 1.782 70.701 68.868 0.085 0.000 1.220 379 T HN 0.584 nan 8.240 nan 0.000 0.552 380 T N -2.332 112.239 114.554 0.028 0.000 3.107 380 T HA 0.225 4.573 4.350 -0.003 0.000 0.249 380 T C 0.276 174.952 174.700 -0.039 0.000 1.096 380 T CA -0.310 61.789 62.100 -0.003 0.000 1.012 380 T CB -0.619 68.249 68.868 0.000 0.000 0.977 380 T HN 0.712 nan 8.240 nan 0.000 0.527 381 E N 2.211 122.388 120.200 -0.038 0.000 2.465 381 E HA 0.145 4.494 4.350 -0.003 0.000 0.260 381 E C -0.710 175.692 176.600 -0.329 0.000 0.980 381 E CA -0.132 56.198 56.400 -0.118 0.000 0.927 381 E CB 0.336 30.048 29.700 0.020 0.000 0.934 381 E HN 0.212 nan 8.360 nan 0.000 0.459 382 D N 4.036 124.208 120.400 -0.381 0.000 2.392 382 D HA 0.124 4.763 4.640 -0.003 0.000 0.228 382 D C -1.713 174.205 176.300 -0.635 0.000 1.074 382 D CA -2.546 51.218 54.000 -0.393 0.000 0.838 382 D CB 1.272 41.954 40.800 -0.197 0.000 1.067 382 D HN 0.118 nan 8.370 nan 0.000 0.511 383 P HA -0.119 nan 4.420 nan 0.000 0.219 383 P C 1.550 178.789 177.300 -0.102 0.000 1.146 383 P CA 0.695 63.487 63.100 -0.513 0.000 0.808 383 P CB 0.495 32.046 31.700 -0.249 0.000 0.779 384 L N -1.269 119.888 121.223 -0.110 0.000 2.376 384 L HA 0.036 4.375 4.340 -0.003 0.000 0.219 384 L C 1.470 178.310 176.870 -0.051 0.000 1.133 384 L CA 0.879 55.693 54.840 -0.044 0.000 0.816 384 L CB -0.520 41.513 42.059 -0.044 0.000 0.933 384 L HN -0.018 nan 8.230 nan 0.000 0.449 385 N N -0.110 118.540 118.700 -0.084 0.000 2.672 385 N HA 0.035 4.773 4.740 -0.003 0.000 0.295 385 N C -0.584 174.908 175.510 -0.029 0.000 1.924 385 N CA 0.049 53.066 53.050 -0.055 0.000 0.851 385 N CB 0.317 38.768 38.487 -0.060 0.000 1.281 385 N HN -0.040 nan 8.380 nan 0.000 0.494 386 D N 0.356 120.769 120.400 0.022 0.000 3.059 386 D HA -0.252 4.386 4.640 -0.003 0.000 0.222 386 D C -0.088 176.352 176.300 0.235 0.000 1.185 386 D CA 0.903 54.964 54.000 0.101 0.000 0.904 386 D CB -1.288 39.535 40.800 0.038 0.000 1.122 386 D HN 0.597 nan 8.370 nan 0.000 0.410 387 F N -3.188 116.727 119.950 -0.058 0.000 2.988 387 F HA -0.309 4.217 4.527 -0.003 0.000 0.287 387 F C 0.820 176.594 175.800 -0.043 0.000 0.781 387 F CA 0.471 58.434 58.000 -0.062 0.000 1.221 387 F CB -1.131 37.821 39.000 -0.080 0.000 1.392 387 F HN 0.078 nan 8.300 nan 0.000 0.425 388 M N 1.421 121.055 119.600 0.057 0.000 2.227 388 M HA 0.187 4.665 4.480 -0.003 0.000 0.349 388 M C -1.963 174.334 176.300 -0.004 0.000 1.443 388 M CA -1.186 54.128 55.300 0.024 0.000 1.110 388 M CB -0.240 32.360 32.600 -0.000 0.000 1.773 388 M HN -0.240 nan 8.290 nan 0.000 0.463 389 P HA -0.019 nan 4.420 nan 0.000 0.258 389 P C -0.405 176.880 177.300 -0.024 0.000 1.187 389 P CA 0.227 63.325 63.100 -0.002 0.000 0.767 389 P CB 0.210 31.918 31.700 0.012 0.000 0.770 390 D N 2.292 122.673 120.400 -0.031 0.000 2.341 390 D HA 0.260 4.899 4.640 -0.003 0.000 0.245 390 D C -0.089 176.192 176.300 -0.031 0.000 1.106 390 D CA 0.165 54.143 54.000 -0.036 0.000 0.905 390 D CB 0.629 41.406 40.800 -0.040 0.000 1.202 390 D HN 0.293 nan 8.370 nan 0.000 0.426 391 T N -0.539 113.993 114.554 -0.037 0.000 2.916 391 T HA 0.863 5.212 4.350 -0.003 0.000 0.292 391 T C 0.355 175.034 174.700 -0.034 0.000 1.064 391 T CA -0.217 61.861 62.100 -0.037 0.000 1.011 391 T CB 1.761 70.597 68.868 -0.053 0.000 1.152 391 T HN 0.643 nan 8.240 nan 0.000 0.510 392 G N 0.274 109.056 108.800 -0.031 0.000 2.302 392 G HA2 0.341 4.299 3.960 -0.003 0.000 0.276 392 G HA3 0.341 4.299 3.960 -0.003 0.000 0.276 392 G C -1.017 173.862 174.900 -0.035 0.000 1.316 392 G CA -0.554 44.527 45.100 -0.031 0.000 0.988 392 G HN 0.925 nan 8.290 nan 0.000 0.479 393 T N 1.127 115.661 114.554 -0.033 0.000 2.767 393 T HA 0.584 4.932 4.350 -0.003 0.000 0.284 393 T C 0.687 175.369 174.700 -0.030 0.000 0.973 393 T CA -0.163 61.915 62.100 -0.037 0.000 0.996 393 T CB 1.008 69.863 68.868 -0.022 0.000 0.927 393 T HN 0.529 nan 8.240 nan 0.000 0.456 394 I N 4.370 124.906 120.570 -0.058 0.000 2.533 394 I HA 0.110 4.278 4.170 -0.003 0.000 0.284 394 I C 1.526 177.649 176.117 0.010 0.000 1.109 394 I CA 0.097 61.380 61.300 -0.027 0.000 1.412 394 I CB 0.646 38.608 38.000 -0.063 0.000 1.396 394 I HN 0.727 nan 8.210 nan 0.000 0.543 395 I N 3.267 123.862 120.570 0.042 0.000 3.941 395 I HA 0.496 4.665 4.170 -0.003 0.000 0.321 395 I C 0.693 176.853 176.117 0.072 0.000 1.284 395 I CA 0.067 61.406 61.300 0.065 0.000 1.226 395 I CB 0.358 38.404 38.000 0.077 0.000 1.045 395 I HN 0.485 nan 8.210 nan 0.000 0.420 396 A N 0.658 123.527 122.820 0.082 0.000 2.465 396 A HA 0.654 4.972 4.320 -0.003 0.000 0.292 396 A C -1.954 175.722 177.584 0.152 0.000 1.041 396 A CA -0.268 51.827 52.037 0.097 0.000 0.718 396 A CB 0.837 19.871 19.000 0.057 0.000 1.266 396 A HN 0.301 nan 8.150 nan 0.000 0.403 397 Y N 2.310 122.628 120.300 0.030 0.000 2.322 397 Y HA 0.675 5.224 4.550 -0.003 0.000 0.324 397 Y C -0.380 175.548 175.900 0.047 0.000 1.027 397 Y CA -0.344 57.777 58.100 0.035 0.000 1.179 397 Y CB 1.261 39.746 38.460 0.042 0.000 1.136 397 Y HN 0.781 nan 8.280 nan 0.000 0.449 398 R N 4.130 124.395 120.500 -0.392 0.000 2.561 398 R HA 0.650 4.988 4.340 -0.003 0.000 0.297 398 R C -1.097 174.915 176.300 -0.480 0.000 0.969 398 R CA -0.465 55.455 56.100 -0.299 0.000 0.879 398 R CB 1.538 31.761 30.300 -0.129 0.000 1.178 398 R HN 0.798 nan 8.270 nan 0.000 0.445 399 S N 1.264 116.771 115.700 -0.321 0.000 2.648 399 S HA 0.549 5.018 4.470 -0.003 0.000 0.305 399 S C -0.004 174.545 174.600 -0.085 0.000 1.094 399 S CA -0.757 57.307 58.200 -0.227 0.000 0.983 399 S CB 2.028 65.173 63.200 -0.092 0.000 1.101 399 S HN 0.473 nan 8.310 nan 0.000 0.514 400 S N -0.147 115.521 115.700 -0.053 0.000 2.307 400 S HA 0.942 5.410 4.470 -0.003 0.000 0.252 400 S C 0.780 175.384 174.600 0.007 0.000 1.204 400 S CA 0.184 58.371 58.200 -0.022 0.000 1.018 400 S CB 0.062 63.249 63.200 -0.023 0.000 1.077 400 S HN 1.529 nan 8.310 nan 0.000 0.454 401 G N -1.792 107.015 108.800 0.012 0.000 2.373 401 G HA2 0.490 4.448 3.960 -0.003 0.000 0.250 401 G HA3 0.490 4.448 3.960 -0.003 0.000 0.250 401 G C -0.211 174.708 174.900 0.031 0.000 1.304 401 G CA 0.084 45.200 45.100 0.027 0.000 0.948 401 G HN 1.766 nan 8.290 nan 0.000 0.474 402 G N -1.448 107.384 108.800 0.053 0.000 2.712 402 G HA2 0.384 4.342 3.960 -0.003 0.000 0.683 402 G HA3 0.384 4.342 3.960 -0.003 0.000 0.683 402 G C -0.094 174.873 174.900 0.112 0.000 1.320 402 G CA 0.154 45.304 45.100 0.084 0.000 0.847 402 G HN 2.094 nan 8.290 nan 0.000 0.553 403 F N 1.679 121.640 119.950 0.019 0.000 2.608 403 F HA 0.380 4.905 4.527 -0.003 0.000 0.380 403 F C 1.648 177.466 175.800 0.031 0.000 1.083 403 F CA 1.809 59.824 58.000 0.025 0.000 1.266 403 F CB 0.496 39.504 39.000 0.015 0.000 1.076 403 F HN 2.299 nan 8.300 nan 0.000 0.574 404 G N 3.694 112.059 108.800 -0.724 0.000 2.205 404 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.261 404 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.261 404 G C -0.326 174.438 174.900 -0.227 0.000 0.980 404 G CA 0.103 44.820 45.100 -0.639 0.000 0.632 404 G HN 0.812 nan 8.290 nan 0.000 0.533 405 V N 0.789 120.622 119.914 -0.134 0.000 2.394 405 V HA 0.740 4.859 4.120 -0.003 0.000 0.282 405 V C 0.404 176.485 176.094 -0.021 0.000 1.031 405 V CA -0.510 61.757 62.300 -0.054 0.000 0.881 405 V CB 1.545 33.351 31.823 -0.029 0.000 0.982 405 V HN 0.502 nan 8.190 nan 0.000 0.451 406 R N 5.009 125.502 120.500 -0.012 0.000 2.476 406 R HA 0.645 4.983 4.340 -0.003 0.000 0.305 406 R C -1.669 174.641 176.300 0.017 0.000 0.965 406 R CA -0.334 55.767 56.100 0.002 0.000 0.867 406 R CB 1.081 31.372 30.300 -0.016 0.000 1.176 406 R HN 0.714 nan 8.270 nan 0.000 0.447 407 L N 3.773 125.020 121.223 0.039 0.000 2.296 407 L HA 0.497 4.836 4.340 -0.003 0.000 0.286 407 L C -0.531 176.382 176.870 0.071 0.000 1.023 407 L CA -0.646 54.231 54.840 0.062 0.000 0.812 407 L CB 1.979 44.089 42.059 0.085 0.000 1.223 407 L HN 0.601 nan 8.230 nan 0.000 0.421 408 D N 3.816 124.263 120.400 0.078 0.000 2.432 408 D HA 0.310 4.948 4.640 -0.003 0.000 0.265 408 D C -0.145 176.215 176.300 0.101 0.000 1.160 408 D CA -0.164 53.886 54.000 0.083 0.000 0.911 408 D CB 2.018 42.864 40.800 0.076 0.000 1.052 408 D HN 0.542 nan 8.370 nan 0.000 0.508 409 A N 1.191 124.079 122.820 0.113 0.000 2.488 409 A HA 0.534 4.852 4.320 -0.003 0.000 0.249 409 A C 1.146 178.793 177.584 0.105 0.000 1.083 409 A CA 0.178 52.289 52.037 0.124 0.000 0.768 409 A CB 0.908 19.986 19.000 0.130 0.000 1.017 409 A HN 0.522 nan 8.150 nan 0.000 0.496 410 G N 0.297 109.161 108.800 0.106 0.000 2.543 410 G HA2 0.187 4.146 3.960 -0.003 0.000 0.221 410 G HA3 0.187 4.146 3.960 -0.003 0.000 0.221 410 G C 0.277 175.264 174.900 0.145 0.000 1.902 410 G CA 0.374 45.534 45.100 0.100 0.000 0.838 410 G HN 0.586 nan 8.290 nan 0.000 0.650 411 D N 1.040 121.507 120.400 0.111 0.000 2.342 411 D HA 0.165 4.804 4.640 -0.003 0.000 0.221 411 D C 1.111 177.356 176.300 -0.093 0.000 1.101 411 D CA -0.021 54.033 54.000 0.090 0.000 0.837 411 D CB 0.344 41.167 40.800 0.038 0.000 0.938 411 D HN 0.249 nan 8.370 nan 0.000 0.508 412 G N 1.376 110.126 108.800 -0.083 0.000 2.770 412 G HA2 0.422 4.380 3.960 -0.003 0.000 0.307 412 G HA3 0.422 4.380 3.960 -0.003 0.000 0.307 412 G C -0.367 174.006 174.900 -0.879 0.000 0.863 412 G CA -0.312 44.499 45.100 -0.481 0.000 1.595 412 G HN 0.113 nan 8.290 nan 0.000 0.496 413 F N -1.161 118.306 119.950 -0.806 0.000 2.711 413 F HA 0.500 5.025 4.527 -0.003 0.000 0.313 413 F C 0.828 176.490 175.800 -0.229 0.000 1.141 413 F CA -1.350 56.308 58.000 -0.571 0.000 0.941 413 F CB 0.922 39.786 39.000 -0.227 0.000 1.349 413 F HN 0.101 nan 8.300 nan 0.000 0.464 414 Q N 1.099 120.994 119.800 0.158 0.000 2.014 414 Q HA -0.073 4.266 4.340 -0.003 0.000 0.207 414 Q C 1.983 178.005 176.000 0.036 0.000 0.993 414 Q CA 2.589 58.475 55.803 0.139 0.000 0.850 414 Q CB -0.761 28.096 28.738 0.198 0.000 0.916 414 Q HN 1.096 nan 8.270 nan 0.000 0.417 415 G N 0.311 109.186 108.800 0.124 0.000 2.650 415 G HA2 0.132 4.090 3.960 -0.003 0.000 0.214 415 G HA3 0.132 4.090 3.960 -0.003 0.000 0.214 415 G C 0.438 175.267 174.900 -0.119 0.000 1.136 415 G CA 0.429 45.577 45.100 0.079 0.000 0.789 415 G HN 0.446 nan 8.290 nan 0.000 0.536 416 A N 1.311 123.751 122.820 -0.633 0.000 2.600 416 A HA 0.264 4.582 4.320 -0.003 0.000 0.244 416 A C 0.546 177.949 177.584 -0.302 0.000 1.016 416 A CA 0.537 52.056 52.037 -0.863 0.000 0.778 416 A CB -0.175 17.996 19.000 -1.380 0.000 0.920 416 A HN 0.618 nan 8.150 nan 0.000 0.513 417 E N 2.714 122.833 120.200 -0.135 0.000 2.133 417 E HA 0.569 4.917 4.350 -0.003 0.000 0.274 417 E C -1.125 175.470 176.600 -0.008 0.000 0.930 417 E CA -0.601 55.777 56.400 -0.037 0.000 0.770 417 E CB 1.090 30.807 29.700 0.028 0.000 1.104 417 E HN 0.507 nan 8.360 nan 0.000 0.403 418 I N 2.793 123.355 120.570 -0.013 0.000 2.297 418 I HA 0.101 4.269 4.170 -0.003 0.000 0.291 418 I C 0.115 176.257 176.117 0.041 0.000 1.033 418 I CA -0.375 60.936 61.300 0.017 0.000 1.253 418 I CB 1.463 39.458 38.000 -0.008 0.000 1.396 418 I HN 0.486 nan 8.210 nan 0.000 0.476 419 S N 7.287 123.050 115.700 0.106 0.000 2.525 419 S HA 0.362 4.830 4.470 -0.003 0.000 0.278 419 S C -1.495 173.113 174.600 0.014 0.000 1.234 419 S CA -1.290 56.969 58.200 0.098 0.000 1.058 419 S CB 1.117 64.472 63.200 0.259 0.000 0.983 419 S HN 0.395 nan 8.310 nan 0.000 0.495 420 P HA 0.072 nan 4.420 nan 0.000 0.241 420 P C 0.098 177.246 177.300 -0.253 0.000 1.191 420 P CA 0.568 63.520 63.100 -0.247 0.000 0.771 420 P CB -0.001 31.473 31.700 -0.376 0.000 0.929 421 Y N -1.698 118.518 120.300 -0.139 0.000 2.583 421 Y HA 0.042 4.591 4.550 -0.003 0.000 0.293 421 Y C 0.749 176.419 175.900 -0.384 0.000 1.157 421 Y CA 0.385 58.301 58.100 -0.307 0.000 1.315 421 Y CB -0.718 37.464 38.460 -0.462 0.000 1.021 421 Y HN -0.010 nan 8.280 nan 0.000 0.536 422 Y N -0.993 119.431 120.300 0.208 0.000 2.562 422 Y HA 0.327 4.875 4.550 -0.003 0.000 0.343 422 Y C -0.058 175.895 175.900 0.088 0.000 1.025 422 Y CA -2.087 56.111 58.100 0.164 0.000 1.082 422 Y CB 0.722 39.291 38.460 0.181 0.000 1.264 422 Y HN -0.223 nan 8.280 nan 0.000 0.478 423 D N 1.093 121.632 120.400 0.231 0.000 2.451 423 D HA -0.006 4.633 4.640 -0.003 0.000 0.254 423 D C -0.003 176.380 176.300 0.137 0.000 1.204 423 D CA 0.241 54.319 54.000 0.130 0.000 0.896 423 D CB 0.809 41.653 40.800 0.073 0.000 1.136 423 D HN 0.367 nan 8.370 nan 0.000 0.499 424 S N 2.407 118.175 115.700 0.113 0.000 2.549 424 S HA 0.299 4.768 4.470 -0.003 0.000 0.283 424 S C -0.485 174.172 174.600 0.094 0.000 1.320 424 S CA -0.459 57.803 58.200 0.102 0.000 1.058 424 S CB 0.153 63.398 63.200 0.076 0.000 0.882 424 S HN 0.362 nan 8.310 nan 0.000 0.498 425 L N 6.071 127.349 121.223 0.091 0.000 2.737 425 L HA 0.373 4.711 4.340 -0.003 0.000 0.261 425 L C -0.396 176.524 176.870 0.084 0.000 0.949 425 L CA -0.100 54.793 54.840 0.089 0.000 0.952 425 L CB 0.788 42.906 42.059 0.098 0.000 1.337 425 L HN 0.759 nan 8.230 nan 0.000 0.430 426 L N 3.510 124.784 121.223 0.085 0.000 2.121 426 L HA 0.356 4.694 4.340 -0.003 0.000 0.200 426 L C -0.027 176.913 176.870 0.117 0.000 1.077 426 L CA 0.676 55.569 54.840 0.087 0.000 0.766 426 L CB 0.020 42.142 42.059 0.106 0.000 0.931 426 L HN 0.444 nan 8.230 nan 0.000 0.452 427 V N -0.854 119.143 119.914 0.137 0.000 2.841 427 V HA 0.315 4.433 4.120 -0.003 0.000 0.310 427 V C -0.463 175.694 176.094 0.105 0.000 1.090 427 V CA -1.065 61.320 62.300 0.142 0.000 0.930 427 V CB 2.121 34.056 31.823 0.188 0.000 1.014 427 V HN 0.059 nan 8.190 nan 0.000 0.425 428 K N 3.501 123.957 120.400 0.094 0.000 2.264 428 K HA 0.564 4.883 4.320 -0.003 0.000 0.277 428 K C -1.510 175.121 176.600 0.053 0.000 1.067 428 K CA -0.519 55.811 56.287 0.070 0.000 0.900 428 K CB 1.276 33.822 32.500 0.076 0.000 1.124 428 K HN 0.637 nan 8.250 nan 0.000 0.469 429 L N 3.049 124.295 121.223 0.038 0.000 2.325 429 L HA 0.418 4.756 4.340 -0.003 0.000 0.281 429 L C -1.250 175.625 176.870 0.008 0.000 1.004 429 L CA 0.106 54.960 54.840 0.025 0.000 0.823 429 L CB 1.880 43.954 42.059 0.025 0.000 1.236 429 L HN 0.459 nan 8.230 nan 0.000 0.415 430 S N 2.096 117.795 115.700 -0.001 0.000 2.536 430 S HA 0.888 5.357 4.470 -0.003 0.000 0.298 430 S C -0.597 174.001 174.600 -0.003 0.000 1.083 430 S CA -0.575 57.623 58.200 -0.004 0.000 0.995 430 S CB 1.871 65.055 63.200 -0.026 0.000 1.058 430 S HN 0.792 nan 8.310 nan 0.000 0.488 431 T N -0.478 114.084 114.554 0.013 0.000 2.907 431 T HA 0.716 5.064 4.350 -0.003 0.000 0.292 431 T C -1.307 173.435 174.700 0.069 0.000 1.043 431 T CA -0.721 61.383 62.100 0.005 0.000 1.003 431 T CB 1.599 70.454 68.868 -0.021 0.000 1.084 431 T HN 0.722 nan 8.240 nan 0.000 0.483 432 H N -0.007 118.993 119.070 -0.116 0.000 3.096 432 H HA 0.710 5.264 4.556 -0.003 0.000 0.335 432 H C -1.214 174.023 175.328 -0.153 0.000 0.990 432 H CA -0.024 55.959 56.048 -0.108 0.000 1.393 432 H CB 0.884 30.569 29.762 -0.129 0.000 1.742 432 H HN 1.156 nan 8.280 nan 0.000 0.501 433 A N 4.156 126.748 122.820 -0.380 0.000 2.569 433 A HA 0.413 4.732 4.320 -0.003 0.000 0.290 433 A C 0.768 178.235 177.584 -0.195 0.000 1.136 433 A CA -0.572 51.279 52.037 -0.310 0.000 0.710 433 A CB 0.606 19.532 19.000 -0.124 0.000 1.303 433 A HN 0.654 nan 8.150 nan 0.000 0.413 434 I N 0.380 120.895 120.570 -0.092 0.000 2.335 434 I HA -0.113 4.055 4.170 -0.003 0.000 0.251 434 I C 1.112 177.301 176.117 0.120 0.000 1.129 434 I CA 1.661 62.952 61.300 -0.015 0.000 1.402 434 I CB -0.572 37.436 38.000 0.012 0.000 1.069 434 I HN 0.530 nan 8.210 nan 0.000 0.424 435 S N -0.705 115.090 115.700 0.158 0.000 2.542 435 S HA 0.385 4.853 4.470 -0.003 0.000 0.293 435 S C 0.272 174.988 174.600 0.195 0.000 1.089 435 S CA -0.818 57.539 58.200 0.262 0.000 0.961 435 S CB 1.896 65.164 63.200 0.114 0.000 1.062 435 S HN 0.193 nan 8.310 nan 0.000 0.483 436 F N 2.659 122.509 119.950 -0.166 0.000 2.126 436 F HA -0.037 4.488 4.527 -0.003 0.000 0.299 436 F C 2.389 178.071 175.800 -0.197 0.000 1.096 436 F CA 2.095 59.886 58.000 -0.348 0.000 1.255 436 F CB -0.147 38.374 39.000 -0.799 0.000 0.997 436 F HN 0.777 nan 8.300 nan 0.000 0.479 437 K N 0.685 120.942 120.400 -0.238 0.000 2.044 437 K HA -0.265 4.053 4.320 -0.003 0.000 0.210 437 K C 1.994 178.460 176.600 -0.223 0.000 1.049 437 K CA 2.232 58.364 56.287 -0.259 0.000 0.927 437 K CB -0.698 31.739 32.500 -0.104 0.000 0.713 437 K HN 0.468 nan 8.250 nan 0.000 0.443 438 Q N -0.364 119.361 119.800 -0.126 0.000 2.119 438 Q HA -0.068 4.271 4.340 -0.003 0.000 0.201 438 Q C 2.135 178.064 176.000 -0.118 0.000 0.972 438 Q CA 1.399 57.147 55.803 -0.091 0.000 0.847 438 Q CB -0.116 28.599 28.738 -0.037 0.000 0.903 438 Q HN 0.498 nan 8.270 nan 0.000 0.433 439 A N 1.279 124.018 122.820 -0.134 0.000 1.933 439 A HA -0.224 4.095 4.320 -0.003 0.000 0.218 439 A C 1.993 179.475 177.584 -0.170 0.000 1.175 439 A CA 1.489 53.459 52.037 -0.111 0.000 0.628 439 A CB -0.456 18.542 19.000 -0.004 0.000 0.814 439 A HN 0.385 nan 8.150 nan 0.000 0.444 440 E N 0.509 120.512 120.200 -0.328 0.000 2.072 440 E HA -0.223 4.125 4.350 -0.003 0.000 0.191 440 E C 1.718 178.228 176.600 -0.150 0.000 0.985 440 E CA 1.588 57.822 56.400 -0.276 0.000 0.801 440 E CB -0.255 29.173 29.700 -0.454 0.000 0.750 440 E HN 0.747 nan 8.360 nan 0.000 0.452 441 E N 0.542 120.657 120.200 -0.143 0.000 2.072 441 E HA -0.140 4.209 4.350 -0.003 0.000 0.191 441 E C 2.294 178.853 176.600 -0.069 0.000 0.985 441 E CA 1.018 57.362 56.400 -0.092 0.000 0.801 441 E CB 0.032 29.685 29.700 -0.080 0.000 0.750 441 E HN 0.196 nan 8.360 nan 0.000 0.452 442 K N 0.251 120.610 120.400 -0.069 0.000 2.032 442 K HA -0.191 4.127 4.320 -0.003 0.000 0.209 442 K C 2.172 178.742 176.600 -0.051 0.000 1.048 442 K CA 1.415 57.669 56.287 -0.055 0.000 0.927 442 K CB -0.163 32.297 32.500 -0.066 0.000 0.712 442 K HN 0.042 nan 8.250 nan 0.000 0.441 443 M N 1.051 120.617 119.600 -0.055 0.000 2.082 443 M HA -0.197 4.281 4.480 -0.003 0.000 0.258 443 M C 1.919 178.187 176.300 -0.054 0.000 1.071 443 M CA 1.654 56.925 55.300 -0.048 0.000 1.103 443 M CB -0.404 32.169 32.600 -0.046 0.000 1.307 443 M HN -0.063 nan 8.290 nan 0.000 0.409 444 V N 0.532 120.409 119.914 -0.062 0.000 2.231 444 V HA -0.348 3.770 4.120 -0.003 0.000 0.248 444 V C 2.635 178.699 176.094 -0.050 0.000 1.054 444 V CA 2.530 64.793 62.300 -0.061 0.000 1.015 444 V CB -1.071 30.716 31.823 -0.061 0.000 0.638 444 V HN 0.570 nan 8.190 nan 0.000 0.444 445 R N -0.004 120.470 120.500 -0.044 0.000 2.091 445 R HA -0.170 4.169 4.340 -0.003 0.000 0.238 445 R C 2.462 178.741 176.300 -0.034 0.000 1.136 445 R CA 2.096 58.175 56.100 -0.035 0.000 0.959 445 R CB -0.388 29.895 30.300 -0.029 0.000 0.856 445 R HN 0.573 nan 8.270 nan 0.000 0.437 446 S N 1.190 116.870 115.700 -0.034 0.000 2.368 446 S HA -0.106 4.362 4.470 -0.003 0.000 0.225 446 S C 1.983 176.560 174.600 -0.038 0.000 1.030 446 S CA 1.116 59.297 58.200 -0.032 0.000 0.999 446 S CB -0.204 62.980 63.200 -0.027 0.000 0.844 446 S HN 0.297 nan 8.310 nan 0.000 0.459 447 L N 0.838 122.037 121.223 -0.040 0.000 2.083 447 L HA -0.076 4.262 4.340 -0.003 0.000 0.209 447 L C 2.678 179.522 176.870 -0.044 0.000 1.083 447 L CA 1.205 56.020 54.840 -0.042 0.000 0.752 447 L CB -0.337 41.693 42.059 -0.049 0.000 0.899 447 L HN 0.223 nan 8.230 nan 0.000 0.433 448 R N -0.613 119.861 120.500 -0.043 0.000 2.200 448 R HA -0.087 4.251 4.340 -0.003 0.000 0.208 448 R C 1.905 178.180 176.300 -0.041 0.000 1.033 448 R CA 0.465 56.541 56.100 -0.040 0.000 1.000 448 R CB 0.044 30.322 30.300 -0.037 0.000 0.906 448 R HN 0.399 nan 8.270 nan 0.000 0.462 449 E N -0.020 120.154 120.200 -0.044 0.000 2.299 449 E HA -0.004 4.345 4.350 -0.003 0.000 0.193 449 E C 0.381 176.940 176.600 -0.068 0.000 0.998 449 E CA 0.105 56.477 56.400 -0.047 0.000 0.851 449 E CB 0.361 30.037 29.700 -0.039 0.000 0.795 449 E HN 0.047 nan 8.360 nan 0.000 0.492 450 M N 0.543 120.095 119.600 -0.080 0.000 2.219 450 M HA 0.111 4.590 4.480 -0.003 0.000 0.307 450 M C 0.051 176.283 176.300 -0.113 0.000 1.116 450 M CA 0.934 56.161 55.300 -0.123 0.000 1.181 450 M CB 0.417 32.956 32.600 -0.102 0.000 1.410 450 M HN -0.134 nan 8.290 nan 0.000 0.454 451 R N 1.182 121.587 120.500 -0.157 0.000 2.542 451 R HA 0.573 4.911 4.340 -0.003 0.000 0.284 451 R C -1.653 174.595 176.300 -0.087 0.000 1.167 451 R CA -0.230 55.811 56.100 -0.099 0.000 1.000 451 R CB 1.479 31.734 30.300 -0.075 0.000 1.229 451 R HN 0.633 nan 8.270 nan 0.000 0.416 452 I N 3.660 124.218 120.570 -0.021 0.000 2.466 452 I HA 0.560 4.728 4.170 -0.003 0.000 0.289 452 I C -0.319 175.817 176.117 0.031 0.000 1.026 452 I CA -0.989 60.338 61.300 0.045 0.000 1.078 452 I CB 1.616 39.666 38.000 0.085 0.000 1.249 452 I HN 0.287 nan 8.210 nan 0.000 0.429 453 R N 3.563 124.088 120.500 0.041 0.000 2.854 453 R HA 0.679 5.017 4.340 -0.003 0.000 0.271 453 R C 0.624 176.938 176.300 0.023 0.000 0.994 453 R CA -0.542 55.574 56.100 0.025 0.000 0.945 453 R CB 1.528 31.843 30.300 0.025 0.000 1.194 453 R HN 0.898 nan 8.270 nan 0.000 0.476 454 G N -0.443 108.364 108.800 0.012 0.000 2.199 454 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.254 454 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.254 454 G C -0.211 174.685 174.900 -0.007 0.000 0.982 454 G CA 0.275 45.378 45.100 0.005 0.000 0.632 454 G HN 0.729 nan 8.290 nan 0.000 0.529 455 V N -2.916 116.995 119.914 -0.006 0.000 2.891 455 V HA 0.784 4.902 4.120 -0.003 0.000 0.304 455 V C -0.169 175.916 176.094 -0.015 0.000 1.171 455 V CA -1.900 60.392 62.300 -0.014 0.000 0.943 455 V CB 1.541 33.356 31.823 -0.014 0.000 1.037 455 V HN 0.243 nan 8.190 nan 0.000 0.427 456 K N 2.488 122.871 120.400 -0.029 0.000 2.382 456 K HA 0.586 4.904 4.320 -0.003 0.000 0.275 456 K C 0.611 177.186 176.600 -0.042 0.000 1.009 456 K CA 0.615 56.878 56.287 -0.040 0.000 0.970 456 K CB 0.804 33.269 32.500 -0.059 0.000 0.934 456 K HN 1.153 nan 8.250 nan 0.000 0.479 457 T N -1.803 112.726 114.554 -0.041 0.000 2.910 457 T HA 0.287 4.636 4.350 -0.003 0.000 0.287 457 T C 0.517 175.182 174.700 -0.058 0.000 1.050 457 T CA -0.951 61.130 62.100 -0.031 0.000 1.011 457 T CB 0.974 69.843 68.868 0.002 0.000 1.195 457 T HN 0.565 nan 8.240 nan 0.000 0.540 458 N N 0.110 118.792 118.700 -0.030 0.000 2.322 458 N HA 0.092 4.830 4.740 -0.003 0.000 0.194 458 N C 1.394 176.944 175.510 0.067 0.000 1.126 458 N CA -0.106 52.939 53.050 -0.008 0.000 0.845 458 N CB -0.689 37.828 38.487 0.051 0.000 0.976 458 N HN 0.726 nan 8.380 nan 0.000 0.475 459 I N 1.125 121.711 120.570 0.027 0.000 2.118 459 I HA -0.186 3.982 4.170 -0.003 0.000 0.241 459 I C -0.608 175.510 176.117 0.002 0.000 1.070 459 I CA 1.450 62.757 61.300 0.012 0.000 1.327 459 I CB -1.413 36.584 38.000 -0.005 0.000 1.034 459 I HN 0.091 nan 8.210 nan 0.000 0.405 460 P HA -0.222 nan 4.420 nan 0.000 0.215 460 P C 1.740 179.043 177.300 0.004 0.000 1.153 460 P CA 1.489 64.587 63.100 -0.003 0.000 0.853 460 P CB -0.153 31.549 31.700 0.005 0.000 0.788 461 F N 0.391 120.273 119.950 -0.114 0.000 2.095 461 F HA -0.201 4.324 4.527 -0.003 0.000 0.298 461 F C 1.931 177.648 175.800 -0.139 0.000 1.104 461 F CA 1.577 59.487 58.000 -0.149 0.000 1.232 461 F CB -1.096 37.831 39.000 -0.122 0.000 0.987 461 F HN -0.252 nan 8.300 nan 0.000 0.475 462 L N -0.145 120.977 121.223 -0.169 0.000 2.046 462 L HA -0.233 4.105 4.340 -0.003 0.000 0.208 462 L C 2.520 179.228 176.870 -0.269 0.000 1.077 462 L CA 1.417 56.097 54.840 -0.267 0.000 0.747 462 L CB -0.796 41.209 42.059 -0.090 0.000 0.896 462 L HN 0.174 nan 8.230 nan 0.000 0.432 463 I N 0.048 120.515 120.570 -0.171 0.000 2.091 463 I HA -0.354 3.814 4.170 -0.003 0.000 0.239 463 I C 2.356 178.368 176.117 -0.175 0.000 1.061 463 I CA 1.420 62.635 61.300 -0.142 0.000 1.317 463 I CB -0.510 37.437 38.000 -0.089 0.000 1.031 463 I HN 0.359 nan 8.210 nan 0.000 0.401 464 N N 0.512 119.090 118.700 -0.202 0.000 2.149 464 N HA -0.144 4.594 4.740 -0.003 0.000 0.188 464 N C 1.904 177.262 175.510 -0.253 0.000 1.019 464 N CA 1.214 54.142 53.050 -0.204 0.000 0.857 464 N CB -0.496 37.867 38.487 -0.207 0.000 0.997 464 N HN 0.175 nan 8.380 nan 0.000 0.426 465 V N 1.657 121.321 119.914 -0.418 0.000 2.255 465 V HA -0.231 3.887 4.120 -0.003 0.000 0.247 465 V C 2.334 178.209 176.094 -0.366 0.000 1.051 465 V CA 1.365 63.409 62.300 -0.427 0.000 1.018 465 V CB -0.363 31.080 31.823 -0.633 0.000 0.641 465 V HN 0.288 nan 8.190 nan 0.000 0.445 466 M N -0.868 118.514 119.600 -0.364 0.000 2.296 466 M HA -0.074 4.405 4.480 -0.003 0.000 0.265 466 M C 2.067 178.355 176.300 -0.021 0.000 1.064 466 M CA 1.383 56.560 55.300 -0.205 0.000 1.109 466 M CB -1.056 31.444 32.600 -0.166 0.000 1.396 466 M HN 0.238 nan 8.290 nan 0.000 0.430 467 K N 0.812 121.176 120.400 -0.060 0.000 2.167 467 K HA 0.036 4.354 4.320 -0.003 0.000 0.203 467 K C 0.625 177.240 176.600 0.025 0.000 1.052 467 K CA 0.098 56.371 56.287 -0.024 0.000 0.956 467 K CB -0.209 32.262 32.500 -0.048 0.000 0.735 467 K HN 0.426 nan 8.250 nan 0.000 0.451 468 N N 1.328 120.060 118.700 0.054 0.000 2.492 468 N HA -0.058 4.680 4.740 -0.003 0.000 0.260 468 N C 0.513 176.129 175.510 0.177 0.000 1.215 468 N CA 0.222 53.343 53.050 0.119 0.000 0.923 468 N CB 0.718 39.301 38.487 0.161 0.000 1.092 468 N HN -0.034 nan 8.380 nan 0.000 0.448 469 K N 1.887 122.372 120.400 0.141 0.000 2.426 469 K HA 0.062 4.380 4.320 -0.003 0.000 0.193 469 K C 0.796 177.475 176.600 0.132 0.000 1.028 469 K CA 0.219 56.573 56.287 0.111 0.000 1.047 469 K CB 0.310 32.851 32.500 0.068 0.000 0.821 469 K HN 0.483 nan 8.250 nan 0.000 0.513 470 K N -0.281 120.255 120.400 0.227 0.000 2.432 470 K HA -0.096 4.222 4.320 -0.003 0.000 0.196 470 K C 1.497 178.120 176.600 0.037 0.000 1.038 470 K CA 0.679 57.116 56.287 0.250 0.000 0.986 470 K CB -0.014 32.779 32.500 0.488 0.000 0.782 470 K HN 0.189 nan 8.250 nan 0.000 0.485 471 F N 1.578 121.398 119.950 -0.217 0.000 2.437 471 F HA -0.039 4.486 4.527 -0.003 0.000 0.288 471 F C 1.831 177.584 175.800 -0.078 0.000 1.085 471 F CA 0.733 58.417 58.000 -0.526 0.000 1.430 471 F CB 0.132 38.797 39.000 -0.560 0.000 1.120 471 F HN -0.145 nan 8.300 nan 0.000 0.556 472 T N -0.185 114.350 114.554 -0.031 0.000 2.915 472 T HA -0.157 4.191 4.350 -0.003 0.000 0.269 472 T C 2.112 176.858 174.700 0.077 0.000 1.071 472 T CA 1.381 63.467 62.100 -0.024 0.000 1.132 472 T CB -0.571 68.293 68.868 -0.006 0.000 0.878 472 T HN 0.427 nan 8.240 nan 0.000 0.479 473 S N 0.635 116.349 115.700 0.022 0.000 2.481 473 S HA 0.215 4.684 4.470 -0.003 0.000 0.231 473 S C 2.163 176.719 174.600 -0.073 0.000 0.996 473 S CA 0.905 59.105 58.200 0.000 0.000 0.942 473 S CB -0.580 62.627 63.200 0.012 0.000 0.768 473 S HN 0.717 nan 8.310 nan 0.000 0.520 474 G N 0.956 109.685 108.800 -0.118 0.000 2.253 474 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.251 474 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.251 474 G C -0.409 174.340 174.900 -0.252 0.000 0.998 474 G CA 0.260 45.171 45.100 -0.314 0.000 0.621 474 G HN 0.580 nan 8.290 nan 0.000 0.524 475 D N 0.803 121.134 120.400 -0.115 0.000 2.359 475 D HA 0.603 5.242 4.640 -0.003 0.000 0.230 475 D C -0.130 176.166 176.300 -0.007 0.000 1.118 475 D CA 0.236 54.141 54.000 -0.158 0.000 0.844 475 D CB 0.440 41.185 40.800 -0.091 0.000 1.059 475 D HN 0.660 nan 8.370 nan 0.000 0.493 476 Y N -1.487 118.743 120.300 -0.116 0.000 2.521 476 Y HA 0.492 5.041 4.550 -0.003 0.000 0.328 476 Y C -0.482 175.415 175.900 -0.006 0.000 1.151 476 Y CA -1.175 56.875 58.100 -0.083 0.000 1.054 476 Y CB 0.932 39.211 38.460 -0.302 0.000 1.338 476 Y HN 0.082 nan 8.280 nan 0.000 0.453 477 T N -0.283 114.398 114.554 0.213 0.000 2.922 477 T HA 0.305 4.654 4.350 -0.003 0.000 0.281 477 T C 1.197 176.047 174.700 0.250 0.000 1.005 477 T CA 0.076 62.273 62.100 0.162 0.000 0.982 477 T CB 1.090 70.035 68.868 0.128 0.000 1.158 477 T HN 1.021 nan 8.240 nan 0.000 0.566 478 T N -0.269 114.393 114.554 0.180 0.000 2.977 478 T HA 0.022 4.370 4.350 -0.003 0.000 0.271 478 T C 1.199 175.998 174.700 0.165 0.000 1.105 478 T CA 1.032 63.229 62.100 0.162 0.000 1.116 478 T CB -0.257 68.672 68.868 0.101 0.000 0.878 478 T HN 0.615 nan 8.240 nan 0.000 0.509 479 K N -0.163 120.342 120.400 0.175 0.000 2.410 479 K HA 0.312 4.630 4.320 -0.003 0.000 0.200 479 K C 1.056 177.769 176.600 0.188 0.000 1.023 479 K CA -0.365 56.010 56.287 0.146 0.000 1.149 479 K CB -0.149 32.416 32.500 0.108 0.000 0.859 479 K HN 0.288 nan 8.250 nan 0.000 0.514 480 F N 1.634 121.652 119.950 0.113 0.000 2.091 480 F HA -0.224 4.301 4.527 -0.003 0.000 0.299 480 F C 1.485 177.337 175.800 0.087 0.000 1.103 480 F CA 1.578 59.648 58.000 0.115 0.000 1.228 480 F CB -0.077 39.015 39.000 0.152 0.000 0.984 480 F HN -0.063 nan 8.300 nan 0.000 0.477 481 I N 0.207 120.700 120.570 -0.128 0.000 2.353 481 I HA -0.228 3.941 4.170 -0.003 0.000 0.248 481 I C 2.294 178.403 176.117 -0.014 0.000 1.119 481 I CA 1.365 62.567 61.300 -0.164 0.000 1.417 481 I CB -0.526 37.496 38.000 0.037 0.000 1.078 481 I HN 0.190 nan 8.210 nan 0.000 0.421 482 E N 0.788 121.006 120.200 0.031 0.000 2.085 482 E HA -0.251 4.097 4.350 -0.003 0.000 0.194 482 E C 1.548 178.165 176.600 0.028 0.000 0.994 482 E CA 1.250 57.675 56.400 0.042 0.000 0.801 482 E CB -0.133 29.594 29.700 0.045 0.000 0.743 482 E HN 0.545 nan 8.360 nan 0.000 0.453 483 E N 0.185 120.394 120.200 0.015 0.000 2.494 483 E HA 0.011 4.359 4.350 -0.003 0.000 0.193 483 E C -0.353 176.237 176.600 -0.017 0.000 1.074 483 E CA 0.253 56.664 56.400 0.018 0.000 0.867 483 E CB 0.457 30.191 29.700 0.056 0.000 0.924 483 E HN 0.003 nan 8.360 nan 0.000 0.502 484 T N 2.107 116.624 114.554 -0.062 0.000 3.064 484 T HA 0.136 4.484 4.350 -0.003 0.000 0.367 484 T C -2.026 172.715 174.700 0.068 0.000 1.202 484 T CA -1.360 60.692 62.100 -0.079 0.000 1.133 484 T CB 1.487 70.164 68.868 -0.319 0.000 1.074 484 T HN -0.011 nan 8.240 nan 0.000 0.519 485 P HA -0.058 nan 4.420 nan 0.000 0.224 485 P C 1.370 178.808 177.300 0.229 0.000 1.157 485 P CA 0.767 63.966 63.100 0.166 0.000 0.799 485 P CB 0.399 32.141 31.700 0.069 0.000 0.809 486 E N 0.109 120.383 120.200 0.124 0.000 2.482 486 E HA -0.082 4.266 4.350 -0.003 0.000 0.196 486 E C 1.649 178.297 176.600 0.081 0.000 1.047 486 E CA 0.236 56.695 56.400 0.099 0.000 0.869 486 E CB -0.873 28.855 29.700 0.046 0.000 0.836 486 E HN 0.130 nan 8.360 nan 0.000 0.520 487 L N 0.297 121.553 121.223 0.054 0.000 2.450 487 L HA -0.016 4.322 4.340 -0.003 0.000 0.224 487 L C 0.771 177.545 176.870 -0.160 0.000 1.149 487 L CA 1.102 55.857 54.840 -0.141 0.000 0.816 487 L CB -0.485 41.392 42.059 -0.302 0.000 0.932 487 L HN 0.023 nan 8.230 nan 0.000 0.449 488 F N -1.075 118.954 119.950 0.132 0.000 2.983 488 F HA 0.246 4.772 4.527 -0.003 0.000 0.307 488 F C 0.466 176.312 175.800 0.076 0.000 1.218 488 F CA -1.224 56.866 58.000 0.150 0.000 1.323 488 F CB -0.465 38.605 39.000 0.116 0.000 0.989 488 F HN -0.142 nan 8.300 nan 0.000 0.509 489 D N 1.854 122.346 120.400 0.152 0.000 2.417 489 D HA 0.092 4.730 4.640 -0.003 0.000 0.250 489 D C 0.675 177.021 176.300 0.076 0.000 1.166 489 D CA 0.104 54.160 54.000 0.093 0.000 0.881 489 D CB 0.732 41.559 40.800 0.046 0.000 1.164 489 D HN 0.322 nan 8.370 nan 0.000 0.467 490 I N 0.948 121.557 120.570 0.065 0.000 2.455 490 I HA 0.074 4.242 4.170 -0.003 0.000 0.303 490 I C 0.242 176.374 176.117 0.025 0.000 1.180 490 I CA -0.627 60.700 61.300 0.045 0.000 1.469 490 I CB -0.554 37.468 38.000 0.036 0.000 1.480 490 I HN 0.191 nan 8.210 nan 0.000 0.669 491 Q N 6.770 126.582 119.800 0.019 0.000 2.307 491 Q HA 0.393 4.731 4.340 -0.003 0.000 0.259 491 Q C -1.701 174.300 176.000 0.002 0.000 0.998 491 Q CA -1.600 54.207 55.803 0.006 0.000 0.923 491 Q CB 1.124 29.862 28.738 -0.000 0.000 1.196 491 Q HN 0.463 nan 8.270 nan 0.000 0.416 492 P HA -0.246 nan 4.420 nan 0.000 0.213 492 P C -0.286 177.010 177.300 -0.008 0.000 1.170 492 P CA 1.556 64.654 63.100 -0.003 0.000 0.902 492 P CB -0.236 31.463 31.700 -0.002 0.000 0.789 493 S N -1.867 113.828 115.700 -0.008 0.000 3.734 493 S HA -0.161 4.307 4.470 -0.003 0.000 0.531 493 S C -0.271 174.323 174.600 -0.010 0.000 0.757 493 S CA -0.091 58.102 58.200 -0.010 0.000 1.388 493 S CB -2.642 60.551 63.200 -0.013 0.000 0.878 493 S HN 0.302 nan 8.310 nan 0.000 0.735 494 L N 1.785 123.003 121.223 -0.009 0.000 2.464 494 L HA 0.548 4.887 4.340 -0.003 0.000 0.264 494 L C 0.501 177.367 176.870 -0.008 0.000 1.199 494 L CA -0.013 54.822 54.840 -0.008 0.000 0.818 494 L CB 0.687 42.742 42.059 -0.006 0.000 1.102 494 L HN 0.692 nan 8.230 nan 0.000 0.473 495 D N 2.680 123.077 120.400 -0.006 0.000 2.462 495 D HA 0.248 4.886 4.640 -0.003 0.000 0.249 495 D C 0.647 176.947 176.300 0.002 0.000 1.117 495 D CA -0.297 53.701 54.000 -0.003 0.000 0.900 495 D CB 0.756 41.555 40.800 -0.001 0.000 1.039 495 D HN 0.402 nan 8.370 nan 0.000 0.516 496 R N 1.703 122.204 120.500 0.000 0.000 2.072 496 R HA 0.052 4.390 4.340 -0.003 0.000 0.221 496 R C 2.050 178.353 176.300 0.005 0.000 1.166 496 R CA 0.975 57.078 56.100 0.004 0.000 0.917 496 R CB -0.825 29.475 30.300 -0.000 0.000 0.815 496 R HN 0.440 nan 8.270 nan 0.000 0.444 497 G N 0.960 109.755 108.800 -0.009 0.000 2.663 497 G HA2 -0.363 3.595 3.960 -0.003 0.000 0.222 497 G HA3 -0.363 3.595 3.960 -0.003 0.000 0.222 497 G C 1.412 176.294 174.900 -0.030 0.000 1.146 497 G CA 2.047 47.130 45.100 -0.028 0.000 0.764 497 G HN 0.341 nan 8.290 nan 0.000 0.608 498 T N 0.725 115.275 114.554 -0.007 0.000 2.684 498 T HA -0.115 4.233 4.350 -0.003 0.000 0.267 498 T C 2.310 177.041 174.700 0.052 0.000 1.036 498 T CA 1.649 63.757 62.100 0.013 0.000 1.148 498 T CB -0.215 68.668 68.868 0.025 0.000 0.863 498 T HN 0.411 nan 8.240 nan 0.000 0.436 499 K N 0.543 120.984 120.400 0.068 0.000 2.097 499 K HA -0.060 4.259 4.320 -0.003 0.000 0.206 499 K C 2.544 179.270 176.600 0.211 0.000 1.049 499 K CA 1.433 57.806 56.287 0.143 0.000 0.933 499 K CB -0.307 32.259 32.500 0.109 0.000 0.717 499 K HN 0.312 nan 8.250 nan 0.000 0.442 500 T N 1.925 116.543 114.554 0.105 0.000 2.857 500 T HA -0.020 4.328 4.350 -0.003 0.000 0.266 500 T C 1.850 176.580 174.700 0.050 0.000 1.048 500 T CA 0.734 62.885 62.100 0.084 0.000 1.139 500 T CB -0.088 68.788 68.868 0.013 0.000 0.874 500 T HN 0.103 nan 8.240 nan 0.000 0.455 501 L N 0.633 121.823 121.223 -0.055 0.000 2.131 501 L HA -0.087 4.251 4.340 -0.003 0.000 0.210 501 L C 2.646 179.578 176.870 0.102 0.000 1.092 501 L CA 1.366 56.090 54.840 -0.193 0.000 0.759 501 L CB -0.481 41.379 42.059 -0.332 0.000 0.903 501 L HN 0.347 nan 8.230 nan 0.000 0.435 502 E N -1.018 119.289 120.200 0.178 0.000 2.076 502 E HA -0.216 4.132 4.350 -0.003 0.000 0.190 502 E C 1.945 178.692 176.600 0.244 0.000 0.979 502 E CA 0.920 57.477 56.400 0.261 0.000 0.807 502 E CB -0.084 29.808 29.700 0.320 0.000 0.761 502 E HN 0.393 nan 8.360 nan 0.000 0.454 503 Y N 1.438 121.775 120.300 0.061 0.000 2.070 503 Y HA -0.271 4.277 4.550 -0.003 0.000 0.280 503 Y C 2.050 177.866 175.900 -0.140 0.000 1.148 503 Y CA 1.772 59.669 58.100 -0.338 0.000 1.125 503 Y CB -0.204 37.999 38.460 -0.428 0.000 0.975 503 Y HN -0.071 nan 8.280 nan 0.000 0.492 504 I N 0.280 120.893 120.570 0.072 0.000 2.151 504 I HA -0.370 3.799 4.170 -0.003 0.000 0.243 504 I C 2.675 178.812 176.117 0.033 0.000 1.080 504 I CA 1.693 63.031 61.300 0.062 0.000 1.339 504 I CB -1.082 37.031 38.000 0.188 0.000 1.039 504 I HN 0.461 nan 8.210 nan 0.000 0.409 505 G N 0.079 108.959 108.800 0.134 0.000 2.440 505 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.218 505 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.218 505 G C 1.450 176.351 174.900 0.002 0.000 1.154 505 G CA 1.143 46.310 45.100 0.113 0.000 0.767 505 G HN 0.469 nan 8.290 nan 0.000 0.552 506 N N -0.213 118.448 118.700 -0.064 0.000 2.135 506 N HA -0.090 4.648 4.740 -0.003 0.000 0.186 506 N C 2.253 177.663 175.510 -0.167 0.000 1.027 506 N CA 1.070 54.060 53.050 -0.100 0.000 0.849 506 N CB 0.006 38.435 38.487 -0.096 0.000 1.002 506 N HN 0.163 nan 8.380 nan 0.000 0.425 507 V N 0.665 120.389 119.914 -0.317 0.000 2.626 507 V HA -0.138 3.980 4.120 -0.003 0.000 0.252 507 V C 2.126 178.172 176.094 -0.081 0.000 1.067 507 V CA 1.465 63.619 62.300 -0.243 0.000 1.081 507 V CB -0.513 31.073 31.823 -0.394 0.000 0.686 507 V HN 0.388 nan 8.190 nan 0.000 0.468 508 T N 0.178 114.699 114.554 -0.055 0.000 2.737 508 T HA -0.041 4.308 4.350 -0.003 0.000 0.265 508 T C 1.789 176.492 174.700 0.006 0.000 1.038 508 T CA 1.636 63.740 62.100 0.007 0.000 1.144 508 T CB -0.135 68.743 68.868 0.016 0.000 0.866 508 T HN 0.349 nan 8.240 nan 0.000 0.434 509 I N 0.857 121.421 120.570 -0.010 0.000 2.494 509 I HA 0.021 4.190 4.170 -0.003 0.000 0.250 509 I C 1.821 177.938 176.117 -0.000 0.000 1.112 509 I CA 0.794 62.093 61.300 -0.002 0.000 1.438 509 I CB 0.022 38.021 38.000 -0.002 0.000 1.111 509 I HN 0.116 nan 8.210 nan 0.000 0.431 510 N N 0.370 119.063 118.700 -0.013 0.000 2.205 510 N HA 0.207 4.945 4.740 -0.003 0.000 0.201 510 N C 0.735 176.239 175.510 -0.009 0.000 1.128 510 N CA 0.835 53.879 53.050 -0.010 0.000 0.867 510 N CB 1.232 39.711 38.487 -0.014 0.000 0.996 510 N HN 0.387 nan 8.380 nan 0.000 0.503 511 G N 1.397 110.196 108.800 -0.002 0.000 2.584 511 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.229 511 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.229 511 G C -1.005 173.929 174.900 0.056 0.000 1.320 511 G CA -0.446 44.671 45.100 0.029 0.000 0.891 511 G HN 0.236 nan 8.290 nan 0.000 0.573 512 F N 0.822 120.708 119.950 -0.107 0.000 2.604 512 F HA 0.594 5.119 4.527 -0.003 0.000 0.316 512 F C -2.192 173.584 175.800 -0.039 0.000 1.136 512 F CA -1.259 56.686 58.000 -0.092 0.000 0.989 512 F CB 1.888 40.810 39.000 -0.131 0.000 1.258 512 F HN 0.569 nan 8.300 nan 0.000 0.451 516 V N 1.752 121.629 119.914 -0.062 0.000 2.384 516 V HA 0.245 4.363 4.120 -0.003 0.000 0.287 516 V C 0.579 176.614 176.094 -0.098 0.000 1.020 516 V CA -0.738 61.427 62.300 -0.226 0.000 0.850 516 V CB 2.239 33.834 31.823 -0.381 0.000 0.987 516 V HN 0.069 nan 8.190 nan 0.000 0.436 517 E N 3.563 123.719 120.200 -0.074 0.000 2.463 517 E HA -0.036 4.313 4.350 -0.003 0.000 0.248 517 E C 0.149 176.789 176.600 0.066 0.000 1.106 517 E CA -0.369 56.032 56.400 0.001 0.000 0.946 517 E CB 0.270 29.972 29.700 0.003 0.000 0.971 517 E HN 0.485 nan 8.360 nan 0.000 0.478 518 K N 5.232 125.662 120.400 0.049 0.000 2.367 518 K HA -0.112 4.206 4.320 -0.003 0.000 0.275 518 K C -0.359 176.288 176.600 0.078 0.000 1.125 518 K CA 0.589 56.919 56.287 0.072 0.000 1.133 518 K CB 0.012 32.537 32.500 0.042 0.000 0.875 518 K HN 0.538 nan 8.250 nan 0.000 0.467 519 R N 3.425 124.000 120.500 0.125 0.000 2.716 519 R HA 0.513 4.852 4.340 -0.003 0.000 0.271 519 R C -2.759 173.577 176.300 0.059 0.000 1.028 519 R CA -1.656 54.483 56.100 0.066 0.000 0.883 519 R CB 0.621 30.941 30.300 0.033 0.000 1.250 519 R HN 0.271 nan 8.270 nan 0.000 0.465 520 P HA -0.011 nan 4.420 nan 0.000 0.268 520 P C -0.906 176.288 177.300 -0.177 0.000 1.208 520 P CA -0.181 62.886 63.100 -0.055 0.000 0.777 520 P CB 0.567 32.224 31.700 -0.071 0.000 0.875 521 K N 3.212 123.502 120.400 -0.183 0.000 2.405 521 K HA 0.029 4.347 4.320 -0.003 0.000 0.276 521 K C -1.951 174.342 176.600 -0.510 0.000 1.099 521 K CA -0.920 55.128 56.287 -0.398 0.000 1.120 521 K CB -0.538 31.864 32.500 -0.162 0.000 0.877 521 K HN 0.306 nan 8.250 nan 0.000 0.472 522 P HA 0.010 nan 4.420 nan 0.000 0.269 522 P C -0.886 175.889 177.300 -0.875 0.000 1.215 522 P CA -0.246 62.391 63.100 -0.772 0.000 0.780 522 P CB 0.537 31.692 31.700 -0.909 0.000 0.898 523 D N 0.822 120.863 120.400 -0.598 0.000 2.389 523 D HA 0.182 4.821 4.640 -0.003 0.000 0.247 523 D C -0.880 175.116 176.300 -0.507 0.000 1.128 523 D CA 0.533 54.281 54.000 -0.421 0.000 0.884 523 D CB 0.065 40.735 40.800 -0.217 0.000 1.194 523 D HN 0.248 nan 8.370 nan 0.000 0.441 524 Y N 1.144 121.441 120.300 -0.006 0.000 2.462 524 Y HA 0.303 4.851 4.550 -0.002 0.000 0.346 524 Y C 0.542 176.481 175.900 0.065 0.000 0.976 524 Y CA -1.280 56.865 58.100 0.075 0.000 1.044 524 Y CB 1.506 40.074 38.460 0.180 0.000 1.230 524 Y HN 0.240 nan 8.280 nan 0.000 0.455 525 E N 1.617 121.957 120.200 0.235 0.000 2.422 525 E HA 0.131 4.480 4.350 -0.003 0.000 0.260 525 E C -0.891 175.790 176.600 0.135 0.000 1.108 525 E CA 0.028 56.505 56.400 0.129 0.000 0.943 525 E CB 0.446 30.196 29.700 0.083 0.000 0.961 525 E HN 0.416 nan 8.360 nan 0.000 0.443 526 L N 2.126 123.399 121.223 0.083 0.000 2.360 526 L HA 0.268 4.607 4.340 -0.003 0.000 0.276 526 L C -0.070 176.829 176.870 0.050 0.000 1.121 526 L CA -0.593 54.291 54.840 0.074 0.000 0.845 526 L CB 0.736 42.825 42.059 0.050 0.000 1.143 526 L HN 0.512 nan 8.230 nan 0.000 0.452 527 A N 3.254 126.104 122.820 0.051 0.000 2.310 527 A HA 0.378 4.696 4.320 -0.003 0.000 0.300 527 A C 0.484 178.110 177.584 0.069 0.000 1.269 527 A CA -0.507 51.541 52.037 0.017 0.000 0.909 527 A CB 0.252 19.208 19.000 -0.074 0.000 1.144 527 A HN 0.753 nan 8.150 nan 0.000 0.540 528 S N 3.000 118.741 115.700 0.068 0.000 2.516 528 S HA 0.404 4.872 4.470 -0.003 0.000 0.282 528 S C -0.118 174.557 174.600 0.126 0.000 1.286 528 S CA -0.160 58.084 58.200 0.072 0.000 1.066 528 S CB 0.010 63.237 63.200 0.045 0.000 0.884 528 S HN 0.483 nan 8.310 nan 0.000 0.491 529 I N 5.147 125.777 120.570 0.100 0.000 2.347 529 I HA 0.275 4.443 4.170 -0.003 0.000 0.283 529 I C -1.981 174.136 176.117 -0.001 0.000 1.058 529 I CA -2.247 59.100 61.300 0.078 0.000 1.202 529 I CB 0.924 38.974 38.000 0.084 0.000 1.386 529 I HN 0.509 nan 8.210 nan 0.000 0.475 530 P HA 0.134 nan 4.420 nan 0.000 0.268 530 P C -0.440 176.829 177.300 -0.052 0.000 1.204 530 P CA 0.098 63.178 63.100 -0.033 0.000 0.768 530 P CB 0.999 32.681 31.700 -0.031 0.000 0.842 531 T N 1.966 116.506 114.554 -0.023 0.000 2.928 531 T HA 0.369 4.717 4.350 -0.003 0.000 0.296 531 T C -0.609 174.090 174.700 -0.003 0.000 1.000 531 T CA -0.377 61.713 62.100 -0.018 0.000 0.989 531 T CB 1.260 70.120 68.868 -0.013 0.000 1.005 531 T HN 0.070 nan 8.240 nan 0.000 0.442 532 V N 3.480 123.397 119.914 0.004 0.000 2.628 532 V HA 0.583 4.702 4.120 -0.003 0.000 0.306 532 V C 0.565 176.651 176.094 -0.014 0.000 1.045 532 V CA -0.956 61.351 62.300 0.011 0.000 0.905 532 V CB 2.094 33.948 31.823 0.052 0.000 0.997 532 V HN 1.070 nan 8.190 nan 0.000 0.436 533 S N 2.452 118.133 115.700 -0.031 0.000 2.579 533 S HA 0.061 4.530 4.470 -0.003 0.000 0.275 533 S C 1.342 175.893 174.600 -0.083 0.000 1.345 533 S CA 0.191 58.361 58.200 -0.050 0.000 1.031 533 S CB 1.071 64.240 63.200 -0.052 0.000 0.892 533 S HN 1.123 nan 8.310 nan 0.000 0.529 534 S N 1.203 116.859 115.700 -0.073 0.000 2.481 534 S HA -0.104 4.365 4.470 -0.003 0.000 0.231 534 S C 1.819 176.342 174.600 -0.127 0.000 0.996 534 S CA 0.659 58.806 58.200 -0.089 0.000 0.942 534 S CB -0.977 62.187 63.200 -0.060 0.000 0.768 534 S HN 1.003 nan 8.310 nan 0.000 0.520 535 S N 2.034 117.661 115.700 -0.122 0.000 2.395 535 S HA 0.053 4.522 4.470 -0.003 0.000 0.225 535 S C 1.817 176.288 174.600 -0.214 0.000 1.027 535 S CA 0.770 58.889 58.200 -0.135 0.000 0.965 535 S CB -0.505 62.639 63.200 -0.092 0.000 0.812 535 S HN 0.564 nan 8.310 nan 0.000 0.482 536 K N 1.350 121.602 120.400 -0.246 0.000 2.057 536 K HA 0.071 4.389 4.320 -0.003 0.000 0.207 536 K C 0.367 176.409 176.600 -0.930 0.000 1.049 536 K CA 0.899 56.949 56.287 -0.395 0.000 0.931 536 K CB -0.494 31.864 32.500 -0.237 0.000 0.714 536 K HN 0.430 nan 8.250 nan 0.000 0.440 537 I N 2.766 122.886 120.570 -0.749 0.000 2.455 537 I HA 0.027 4.196 4.170 -0.003 0.000 0.303 537 I C -0.848 174.985 176.117 -0.474 0.000 1.180 537 I CA 0.632 61.454 61.300 -0.797 0.000 1.469 537 I CB -0.872 36.974 38.000 -0.256 0.000 1.480 537 I HN 0.218 nan 8.210 nan 0.000 0.669 538 F N 1.667 121.608 119.950 -0.016 0.000 2.183 538 F HA -0.193 4.332 4.527 -0.003 0.000 0.318 538 F C 0.104 175.885 175.800 -0.032 0.000 1.244 538 F CA -0.692 57.299 58.000 -0.016 0.000 0.912 538 F CB -0.540 38.457 39.000 -0.006 0.000 4.134 538 F HN 0.267 nan 8.300 nan 0.000 0.138 539 S N 1.298 117.100 115.700 0.171 0.000 2.746 539 S HA 0.708 5.176 4.470 -0.003 0.000 0.273 539 S C -0.044 174.546 174.600 -0.017 0.000 1.172 539 S CA 0.214 58.440 58.200 0.042 0.000 1.116 539 S CB 1.103 64.310 63.200 0.013 0.000 1.057 539 S HN 1.034 nan 8.310 nan 0.000 0.483 540 G N 1.411 110.187 108.800 -0.041 0.000 3.212 540 G HA2 0.390 4.349 3.960 -0.003 0.000 0.188 540 G HA3 0.390 4.349 3.960 -0.003 0.000 0.188 540 G C 1.130 175.918 174.900 -0.186 0.000 1.254 540 G CA 0.214 45.256 45.100 -0.097 0.000 0.957 540 G HN 0.618 nan 8.290 nan 0.000 0.596 541 T N -1.177 113.254 114.554 -0.204 0.000 2.833 541 T HA -0.068 4.280 4.350 -0.003 0.000 0.269 541 T C 2.064 176.631 174.700 -0.221 0.000 1.054 541 T CA 1.457 63.390 62.100 -0.279 0.000 1.135 541 T CB -0.108 68.600 68.868 -0.266 0.000 0.869 541 T HN 0.244 nan 8.240 nan 0.000 0.466 542 K N 1.226 121.524 120.400 -0.169 0.000 2.020 542 K HA -0.148 4.170 4.320 -0.003 0.000 0.212 542 K C 2.491 179.007 176.600 -0.140 0.000 1.050 542 K CA 1.830 58.025 56.287 -0.154 0.000 0.929 542 K CB -0.603 31.808 32.500 -0.148 0.000 0.714 542 K HN 0.345 nan 8.250 nan 0.000 0.443 543 Q N 0.586 120.308 119.800 -0.129 0.000 2.096 543 Q HA -0.116 4.222 4.340 -0.003 0.000 0.204 543 Q C 2.045 177.963 176.000 -0.136 0.000 0.982 543 Q CA 1.135 56.869 55.803 -0.114 0.000 0.850 543 Q CB -0.397 28.285 28.738 -0.093 0.000 0.901 543 Q HN 0.254 nan 8.270 nan 0.000 0.422 544 L N -0.245 120.861 121.223 -0.195 0.000 2.042 544 L HA -0.153 4.185 4.340 -0.003 0.000 0.210 544 L C 1.946 178.727 176.870 -0.149 0.000 1.076 544 L CA 1.382 56.087 54.840 -0.224 0.000 0.749 544 L CB -0.596 41.221 42.059 -0.404 0.000 0.893 544 L HN 0.342 nan 8.230 nan 0.000 0.432 545 L N -0.581 120.562 121.223 -0.133 0.000 2.083 545 L HA -0.209 4.129 4.340 -0.003 0.000 0.209 545 L C 1.923 178.750 176.870 -0.073 0.000 1.083 545 L CA 1.921 56.708 54.840 -0.088 0.000 0.752 545 L CB -0.944 41.064 42.059 -0.085 0.000 0.899 545 L HN 0.308 nan 8.230 nan 0.000 0.433 546 D N -0.544 119.809 120.400 -0.080 0.000 2.178 546 D HA -0.134 4.505 4.640 -0.003 0.000 0.202 546 D C 2.066 178.333 176.300 -0.054 0.000 0.974 546 D CA 0.984 54.945 54.000 -0.064 0.000 0.841 546 D CB 0.060 40.819 40.800 -0.068 0.000 0.953 546 D HN 0.447 nan 8.370 nan 0.000 0.478 547 E N 0.005 120.168 120.200 -0.062 0.000 2.102 547 E HA -0.036 4.312 4.350 -0.003 0.000 0.190 547 E C 2.226 178.804 176.600 -0.037 0.000 0.971 547 E CA 0.536 56.906 56.400 -0.049 0.000 0.821 547 E CB 0.281 29.946 29.700 -0.057 0.000 0.777 547 E HN 0.333 nan 8.360 nan 0.000 0.460 548 V N -3.503 116.387 119.914 -0.041 0.000 3.635 548 V HA 0.502 4.620 4.120 -0.003 0.000 0.266 548 V C 0.916 177.001 176.094 -0.014 0.000 1.316 548 V CA 0.577 62.865 62.300 -0.019 0.000 1.060 548 V CB 0.147 31.966 31.823 -0.006 0.000 0.820 548 V HN 0.190 nan 8.190 nan 0.000 0.447 549 G N 0.739 109.521 108.800 -0.030 0.000 2.756 549 G HA2 -0.113 3.845 3.960 -0.003 0.000 0.678 549 G HA3 -0.113 3.845 3.960 -0.003 0.000 0.678 549 G C -1.666 173.196 174.900 -0.063 0.000 1.349 549 G CA -0.194 44.882 45.100 -0.041 0.000 0.847 549 G HN 0.275 nan 8.290 nan 0.000 0.548 550 P HA -0.033 nan 4.420 nan 0.000 0.215 550 P C 1.790 178.983 177.300 -0.179 0.000 1.153 550 P CA 1.960 64.886 63.100 -0.291 0.000 0.853 550 P CB -0.025 31.190 31.700 -0.809 0.000 0.788 551 K N -0.886 119.465 120.400 -0.082 0.000 2.103 551 K HA 0.014 4.332 4.320 -0.003 0.000 0.204 551 K C 2.387 179.038 176.600 0.086 0.000 1.052 551 K CA 1.384 57.716 56.287 0.075 0.000 0.945 551 K CB -1.059 31.507 32.500 0.110 0.000 0.722 551 K HN 0.107 nan 8.250 nan 0.000 0.443 552 G N 0.922 109.759 108.800 0.061 0.000 2.418 552 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.217 552 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.217 552 G C 1.578 176.564 174.900 0.144 0.000 1.158 552 G CA 0.742 45.894 45.100 0.087 0.000 0.771 552 G HN 0.086 nan 8.290 nan 0.000 0.545 553 V N 1.552 121.540 119.914 0.125 0.000 2.295 553 V HA -0.155 3.963 4.120 -0.003 0.000 0.246 553 V C 3.340 179.626 176.094 0.320 0.000 1.049 553 V CA 2.068 64.499 62.300 0.217 0.000 1.024 553 V CB -0.889 31.036 31.823 0.169 0.000 0.648 553 V HN 0.487 nan 8.190 nan 0.000 0.447 554 A N -0.359 122.594 122.820 0.222 0.000 1.883 554 A HA -0.229 4.089 4.320 -0.003 0.000 0.217 554 A C 2.172 179.845 177.584 0.148 0.000 1.186 554 A CA 1.826 53.973 52.037 0.183 0.000 0.624 554 A CB -0.504 18.601 19.000 0.175 0.000 0.822 554 A HN 0.514 nan 8.150 nan 0.000 0.444 555 E N -1.129 119.162 120.200 0.152 0.000 2.085 555 E HA -0.237 4.111 4.350 -0.003 0.000 0.194 555 E C 1.691 178.375 176.600 0.141 0.000 0.994 555 E CA 1.401 57.874 56.400 0.121 0.000 0.801 555 E CB -0.602 29.168 29.700 0.116 0.000 0.743 555 E HN 0.906 nan 8.360 nan 0.000 0.453 556 W N 1.254 122.572 121.300 0.031 0.000 2.388 556 W HA -0.169 4.489 4.660 -0.003 0.000 0.294 556 W C 1.960 178.491 176.519 0.021 0.000 1.212 556 W CA 1.281 58.643 57.345 0.029 0.000 1.271 556 W CB -0.150 29.334 29.460 0.040 0.000 1.126 556 W HN -0.163 nan 8.180 nan 0.000 0.535 557 V N 1.452 121.382 119.914 0.025 0.000 2.261 557 V HA -0.332 3.786 4.120 -0.003 0.000 0.246 557 V C 2.365 178.280 176.094 -0.299 0.000 1.047 557 V CA 2.433 64.585 62.300 -0.246 0.000 1.015 557 V CB -1.057 30.719 31.823 -0.079 0.000 0.642 557 V HN 0.095 nan 8.190 nan 0.000 0.446 558 K N -0.203 120.103 120.400 -0.158 0.000 2.173 558 K HA -0.252 4.067 4.320 -0.003 0.000 0.207 558 K C 2.112 178.609 176.600 -0.171 0.000 1.046 558 K CA 1.679 57.884 56.287 -0.137 0.000 0.929 558 K CB -0.160 32.300 32.500 -0.066 0.000 0.720 558 K HN 0.456 nan 8.250 nan 0.000 0.453 559 K N 0.032 120.297 120.400 -0.224 0.000 2.243 559 K HA -0.007 4.311 4.320 -0.003 0.000 0.201 559 K C 0.244 176.677 176.600 -0.279 0.000 1.051 559 K CA 0.300 56.457 56.287 -0.216 0.000 0.970 559 K CB 0.253 32.640 32.500 -0.189 0.000 0.755 559 K HN 0.038 nan 8.250 nan 0.000 0.465 560 Q N 1.456 120.997 119.800 -0.431 0.000 2.300 560 Q HA -0.080 4.259 4.340 -0.003 0.000 0.280 560 Q C 0.391 176.248 176.000 -0.238 0.000 1.033 560 Q CA 0.628 56.187 55.803 -0.407 0.000 0.903 560 Q CB 1.205 29.592 28.738 -0.584 0.000 1.195 560 Q HN 0.150 nan 8.270 nan 0.000 0.386 561 D N 1.949 122.250 120.400 -0.166 0.000 2.106 561 D HA -0.116 4.522 4.640 -0.003 0.000 0.203 561 D C -0.524 175.722 176.300 -0.091 0.000 0.977 561 D CA 0.700 54.635 54.000 -0.108 0.000 0.844 561 D CB 0.302 41.058 40.800 -0.074 0.000 1.002 561 D HN 0.433 nan 8.370 nan 0.000 0.461 562 D N 0.269 120.626 120.400 -0.071 0.000 2.478 562 D HA -0.020 4.619 4.640 -0.003 0.000 0.234 562 D C -0.057 176.199 176.300 -0.074 0.000 1.154 562 D CA 0.022 54.004 54.000 -0.031 0.000 0.874 562 D CB 0.826 41.639 40.800 0.021 0.000 1.198 562 D HN -0.090 nan 8.370 nan 0.000 0.455 563 V N 2.491 122.365 119.914 -0.066 0.000 2.637 563 V HA 0.103 4.222 4.120 -0.003 0.000 0.296 563 V C 0.742 176.792 176.094 -0.072 0.000 1.046 563 V CA -0.332 61.906 62.300 -0.103 0.000 1.066 563 V CB 0.379 32.131 31.823 -0.119 0.000 0.968 563 V HN 0.253 nan 8.190 nan 0.000 0.483 564 L N 5.458 126.622 121.223 -0.099 0.000 2.375 564 L HA 0.703 5.041 4.340 -0.003 0.000 0.268 564 L C -0.383 176.465 176.870 -0.037 0.000 1.058 564 L CA -0.716 54.108 54.840 -0.027 0.000 0.803 564 L CB 1.480 43.527 42.059 -0.021 0.000 1.212 564 L HN 0.582 nan 8.230 nan 0.000 0.451 565 L N -1.258 119.997 121.223 0.053 0.000 2.371 565 L HA 0.749 5.088 4.340 -0.003 0.000 0.262 565 L C -0.476 176.441 176.870 0.078 0.000 1.006 565 L CA -0.313 54.550 54.840 0.038 0.000 0.818 565 L CB 1.988 44.080 42.059 0.055 0.000 1.354 565 L HN 0.285 nan 8.230 nan 0.000 0.415 566 T N 1.021 115.622 114.554 0.078 0.000 2.772 566 T HA 0.331 4.679 4.350 -0.003 0.000 0.288 566 T C -0.829 173.806 174.700 -0.108 0.000 0.994 566 T CA -0.047 62.091 62.100 0.062 0.000 0.951 566 T CB 0.815 69.864 68.868 0.300 0.000 0.933 566 T HN 0.861 nan 8.240 nan 0.000 0.447 567 D N 1.662 121.835 120.400 -0.379 0.000 2.372 567 D HA 0.260 4.898 4.640 -0.003 0.000 0.243 567 D C 1.170 177.283 176.300 -0.312 0.000 1.121 567 D CA -0.005 53.701 54.000 -0.490 0.000 0.898 567 D CB 0.904 41.055 40.800 -1.082 0.000 1.202 567 D HN 0.548 nan 8.370 nan 0.000 0.428 568 T N -1.442 112.967 114.554 -0.241 0.000 3.111 568 T HA 0.088 4.437 4.350 -0.003 0.000 0.284 568 T C 1.398 175.976 174.700 -0.202 0.000 0.983 568 T CA -0.148 61.848 62.100 -0.173 0.000 0.900 568 T CB -0.060 68.751 68.868 -0.095 0.000 1.132 568 T HN 0.301 nan 8.240 nan 0.000 0.531 569 T N 2.104 116.469 114.554 -0.315 0.000 2.699 569 T HA -0.066 4.282 4.350 -0.003 0.000 0.268 569 T C 1.012 175.601 174.700 -0.185 0.000 1.036 569 T CA 1.442 63.296 62.100 -0.411 0.000 1.147 569 T CB -0.487 67.978 68.868 -0.672 0.000 0.862 569 T HN 0.377 nan 8.240 nan 0.000 0.446 570 F N 0.610 120.475 119.950 -0.141 0.000 2.558 570 F HA 0.254 4.779 4.527 -0.003 0.000 0.298 570 F C 2.280 178.161 175.800 0.134 0.000 1.119 570 F CA 0.071 58.078 58.000 0.011 0.000 1.451 570 F CB -0.390 38.596 39.000 -0.024 0.000 1.091 570 F HN -0.001 nan 8.300 nan 0.000 0.563 571 R N -0.144 120.410 120.500 0.090 0.000 2.712 571 R HA 0.078 4.417 4.340 -0.003 0.000 0.132 571 R C 1.415 177.507 176.300 -0.346 0.000 1.923 571 R CA 0.432 56.454 56.100 -0.129 0.000 1.539 571 R CB -0.921 29.355 30.300 -0.040 0.000 1.362 571 R HN -0.085 nan 8.270 nan 0.000 0.472 572 D N 1.190 121.481 120.400 -0.182 0.000 2.310 572 D HA 0.023 4.661 4.640 -0.003 0.000 0.212 572 D C 1.398 177.610 176.300 -0.146 0.000 0.965 572 D CA 1.083 55.003 54.000 -0.134 0.000 0.879 572 D CB 0.208 41.000 40.800 -0.013 0.000 0.921 572 D HN 0.397 nan 8.370 nan 0.000 0.510 573 A N 0.114 122.829 122.820 -0.175 0.000 1.897 573 A HA -0.161 4.157 4.320 -0.003 0.000 0.215 573 A C 2.027 179.546 177.584 -0.109 0.000 1.181 573 A CA 1.607 53.560 52.037 -0.140 0.000 0.620 573 A CB -0.841 18.060 19.000 -0.165 0.000 0.821 573 A HN 0.574 nan 8.150 nan 0.000 0.443 574 H N -1.504 117.486 119.070 -0.133 0.000 2.544 574 H HA 0.090 4.644 4.556 -0.003 0.000 0.269 574 H C 1.819 177.095 175.328 -0.086 0.000 0.970 574 H CA 0.985 56.952 56.048 -0.134 0.000 1.219 574 H CB -0.347 29.293 29.762 -0.204 0.000 1.421 574 H HN 0.623 nan 8.280 nan 0.000 0.555 575 Q N 1.383 120.941 119.800 -0.404 0.000 2.167 575 Q HA -0.087 4.251 4.340 -0.003 0.000 0.202 575 Q C 1.756 177.718 176.000 -0.063 0.000 0.970 575 Q CA 1.574 57.256 55.803 -0.202 0.000 0.855 575 Q CB 0.298 28.913 28.738 -0.205 0.000 0.911 575 Q HN 0.359 nan 8.270 nan 0.000 0.438 576 S N 0.024 115.700 115.700 -0.039 0.000 2.348 576 S HA 0.021 4.489 4.470 -0.003 0.000 0.219 576 S C 1.754 176.367 174.600 0.022 0.000 1.033 576 S CA 0.729 58.941 58.200 0.020 0.000 0.974 576 S CB 0.010 63.249 63.200 0.066 0.000 0.868 576 S HN 0.339 nan 8.310 nan 0.000 0.459 577 L N 0.261 121.495 121.223 0.019 0.000 2.307 577 L HA 0.261 4.600 4.340 -0.003 0.000 0.211 577 L C 0.622 177.535 176.870 0.072 0.000 1.099 577 L CA 0.787 55.652 54.840 0.040 0.000 0.816 577 L CB -0.011 42.067 42.059 0.032 0.000 0.952 577 L HN 0.190 nan 8.230 nan 0.000 0.455 578 L N -0.401 120.864 121.223 0.070 0.000 3.393 578 L HA 0.411 4.749 4.340 -0.003 0.000 0.319 578 L C 0.711 177.607 176.870 0.043 0.000 1.309 578 L CA -0.368 54.537 54.840 0.109 0.000 0.962 578 L CB 0.634 42.733 42.059 0.066 0.000 1.391 578 L HN 0.077 nan 8.230 nan 0.000 0.607 579 A N -0.106 122.729 122.820 0.024 0.000 2.704 579 A HA -0.286 4.033 4.320 -0.003 0.000 0.299 579 A C 1.204 178.755 177.584 -0.054 0.000 1.507 579 A CA 1.108 53.126 52.037 -0.032 0.000 0.776 579 A CB -2.063 16.901 19.000 -0.061 0.000 1.027 579 A HN 0.770 nan 8.150 nan 0.000 0.475 580 T N -2.595 111.969 114.554 0.016 0.000 4.386 580 T HA -0.277 4.072 4.350 -0.003 0.000 0.320 580 T C 0.798 175.604 174.700 0.177 0.000 0.916 580 T CA 1.569 63.749 62.100 0.132 0.000 2.028 580 T CB -1.229 67.653 68.868 0.024 0.000 1.935 580 T HN 0.918 nan 8.240 nan 0.000 0.894 581 R N 0.132 120.620 120.500 -0.021 0.000 2.299 581 R HA 0.219 4.558 4.340 -0.003 0.000 0.197 581 R C 0.955 177.187 176.300 -0.114 0.000 0.971 581 R CA 0.053 56.083 56.100 -0.117 0.000 1.030 581 R CB -0.108 29.923 30.300 -0.448 0.000 0.932 581 R HN 0.481 nan 8.270 nan 0.000 0.477 582 V N 3.280 122.890 119.914 -0.506 0.000 2.540 582 V HA -0.050 4.068 4.120 -0.003 0.000 0.297 582 V C 0.999 176.943 176.094 -0.250 0.000 1.024 582 V CA 0.434 62.327 62.300 -0.678 0.000 1.105 582 V CB 0.150 31.365 31.823 -1.013 0.000 0.938 582 V HN 0.140 nan 8.190 nan 0.000 0.482 583 R N 3.048 123.567 120.500 0.030 0.000 2.528 583 R HA 0.286 4.625 4.340 -0.003 0.000 0.271 583 R C 1.461 177.718 176.300 -0.072 0.000 1.056 583 R CA -0.367 55.696 56.100 -0.063 0.000 1.117 583 R CB 0.452 30.657 30.300 -0.158 0.000 1.085 583 R HN 0.739 nan 8.270 nan 0.000 0.530 584 T N 1.366 115.849 114.554 -0.118 0.000 2.653 584 T HA -0.253 4.095 4.350 -0.003 0.000 0.268 584 T C 1.683 176.335 174.700 -0.080 0.000 1.035 584 T CA 1.927 63.960 62.100 -0.111 0.000 1.154 584 T CB -0.155 68.650 68.868 -0.106 0.000 0.862 584 T HN 0.467 nan 8.240 nan 0.000 0.441 585 K N 1.428 121.784 120.400 -0.074 0.000 2.044 585 K HA -0.164 4.154 4.320 -0.003 0.000 0.210 585 K C 1.858 178.473 176.600 0.025 0.000 1.049 585 K CA 1.832 58.095 56.287 -0.039 0.000 0.927 585 K CB -0.476 31.983 32.500 -0.068 0.000 0.713 585 K HN 0.283 nan 8.250 nan 0.000 0.443 586 D N -0.247 120.201 120.400 0.080 0.000 2.219 586 D HA -0.119 4.519 4.640 -0.003 0.000 0.205 586 D C 1.870 178.272 176.300 0.171 0.000 0.970 586 D CA 1.298 55.388 54.000 0.149 0.000 0.851 586 D CB -0.030 40.909 40.800 0.231 0.000 0.943 586 D HN 0.404 nan 8.370 nan 0.000 0.488 587 M N -0.076 119.604 119.600 0.133 0.000 2.193 587 M HA -0.043 4.435 4.480 -0.003 0.000 0.265 587 M C 2.177 178.446 176.300 -0.052 0.000 1.071 587 M CA 0.604 55.911 55.300 0.012 0.000 1.140 587 M CB 0.112 32.379 32.600 -0.554 0.000 1.369 587 M HN -0.080 nan 8.290 nan 0.000 0.423 588 I N 1.520 122.052 120.570 -0.064 0.000 2.264 588 I HA -0.289 3.879 4.170 -0.003 0.000 0.248 588 I C 1.646 177.761 176.117 -0.003 0.000 1.111 588 I CA 1.805 63.085 61.300 -0.034 0.000 1.382 588 I CB -1.154 36.826 38.000 -0.034 0.000 1.060 588 I HN 0.451 nan 8.210 nan 0.000 0.418 589 N N 0.658 119.362 118.700 0.007 0.000 2.244 589 N HA -0.155 4.583 4.740 -0.003 0.000 0.183 589 N C 1.291 176.721 175.510 -0.132 0.000 1.016 589 N CA 1.040 54.082 53.050 -0.014 0.000 0.866 589 N CB 0.030 38.563 38.487 0.076 0.000 0.980 589 N HN 0.356 nan 8.380 nan 0.000 0.430 590 I N -2.081 118.362 120.570 -0.211 0.000 3.928 590 I HA 0.400 4.568 4.170 -0.003 0.000 0.335 590 I C 1.704 177.834 176.117 0.022 0.000 1.325 590 I CA -0.377 60.755 61.300 -0.281 0.000 1.107 590 I CB -0.279 37.359 38.000 -0.603 0.000 1.014 590 I HN -0.137 nan 8.210 nan 0.000 0.400 591 A N 1.865 124.748 122.820 0.105 0.000 1.884 591 A HA -0.300 4.019 4.320 -0.003 0.000 0.219 591 A C 2.591 180.266 177.584 0.152 0.000 1.197 591 A CA 2.983 55.136 52.037 0.193 0.000 0.637 591 A CB -1.293 17.786 19.000 0.131 0.000 0.827 591 A HN 0.629 nan 8.150 nan 0.000 0.450 592 S N -0.443 115.304 115.700 0.078 0.000 2.382 592 S HA -0.215 4.253 4.470 -0.003 0.000 0.228 592 S C 1.927 176.572 174.600 0.075 0.000 1.027 592 S CA 1.884 60.126 58.200 0.069 0.000 0.991 592 S CB -0.282 62.934 63.200 0.027 0.000 0.823 592 S HN 0.491 nan 8.310 nan 0.000 0.469 593 K N 1.274 121.693 120.400 0.031 0.000 2.057 593 K HA 0.028 4.346 4.320 -0.003 0.000 0.206 593 K C 2.135 178.762 176.600 0.044 0.000 1.050 593 K CA 2.018 58.313 56.287 0.013 0.000 0.935 593 K CB -1.174 31.290 32.500 -0.060 0.000 0.715 593 K HN 0.450 nan 8.250 nan 0.000 0.439 594 T N 0.553 115.171 114.554 0.106 0.000 2.746 594 T HA -0.136 4.213 4.350 -0.003 0.000 0.267 594 T C 1.804 176.648 174.700 0.239 0.000 1.039 594 T CA 1.372 63.590 62.100 0.197 0.000 1.142 594 T CB -0.555 68.507 68.868 0.324 0.000 0.866 594 T HN 0.380 nan 8.240 nan 0.000 0.444 595 A N 1.550 124.512 122.820 0.237 0.000 1.917 595 A HA -0.239 4.080 4.320 -0.003 0.000 0.219 595 A C 2.085 179.818 177.584 0.248 0.000 1.182 595 A CA 2.400 54.594 52.037 0.262 0.000 0.633 595 A CB -0.850 18.298 19.000 0.247 0.000 0.819 595 A HN 0.602 nan 8.150 nan 0.000 0.448 596 D N -1.134 119.388 120.400 0.204 0.000 2.110 596 D HA -0.075 4.563 4.640 -0.003 0.000 0.202 596 D C 1.789 178.049 176.300 -0.067 0.000 0.975 596 D CA 1.354 55.427 54.000 0.122 0.000 0.839 596 D CB -0.085 40.818 40.800 0.171 0.000 0.996 596 D HN 0.112 nan 8.370 nan 0.000 0.464 597 V N -0.124 119.715 119.914 -0.125 0.000 2.332 597 V HA -0.201 3.917 4.120 -0.003 0.000 0.248 597 V C 1.536 177.397 176.094 -0.388 0.000 1.055 597 V CA 1.455 63.554 62.300 -0.335 0.000 1.038 597 V CB -0.632 30.857 31.823 -0.556 0.000 0.651 597 V HN 0.262 nan 8.190 nan 0.000 0.450 598 F N 0.437 120.381 119.950 -0.010 0.000 2.730 598 F HA 0.171 4.696 4.527 -0.003 0.000 0.295 598 F C 1.868 177.659 175.800 -0.014 0.000 1.143 598 F CA -0.337 57.659 58.000 -0.006 0.000 1.367 598 F CB -0.201 38.800 39.000 0.002 0.000 0.970 598 F HN 0.160 nan 8.300 nan 0.000 0.514 599 K N -0.847 119.580 120.400 0.046 0.000 2.281 599 K HA -0.151 4.168 4.320 -0.003 0.000 0.203 599 K C 0.349 176.940 176.600 -0.014 0.000 1.046 599 K CA 1.725 57.974 56.287 -0.062 0.000 0.938 599 K CB -0.067 32.200 32.500 -0.387 0.000 0.737 599 K HN 0.104 nan 8.250 nan 0.000 0.458 600 D N 0.915 121.346 120.400 0.052 0.000 2.440 600 D HA 0.126 4.764 4.640 -0.003 0.000 0.216 600 D C 0.389 176.802 176.300 0.189 0.000 1.150 600 D CA 0.052 54.117 54.000 0.109 0.000 0.832 600 D CB 0.659 41.520 40.800 0.101 0.000 0.992 600 D HN 0.377 nan 8.370 nan 0.000 0.502 601 G N -0.024 108.895 108.800 0.198 0.000 2.599 601 G HA2 0.141 4.100 3.960 -0.003 0.000 0.264 601 G HA3 0.141 4.100 3.960 -0.003 0.000 0.264 601 G C 0.402 175.426 174.900 0.206 0.000 1.200 601 G CA -0.499 44.727 45.100 0.210 0.000 0.896 601 G HN 0.054 nan 8.290 nan 0.000 0.536 602 F N 0.567 120.563 119.950 0.076 0.000 2.147 602 F HA 0.215 4.740 4.527 -0.003 0.000 0.291 602 F C 1.373 177.208 175.800 0.059 0.000 1.093 602 F CA 1.180 59.230 58.000 0.083 0.000 1.263 602 F CB 0.088 39.095 39.000 0.011 0.000 1.036 602 F HN 0.609 nan 8.300 nan 0.000 0.481 603 S N -0.600 115.023 115.700 -0.128 0.000 2.656 603 S HA 0.583 5.051 4.470 -0.003 0.000 0.273 603 S C -1.406 173.125 174.600 -0.115 0.000 1.168 603 S CA -0.985 57.093 58.200 -0.202 0.000 0.817 603 S CB 1.528 64.602 63.200 -0.209 0.000 1.146 603 S HN 0.107 nan 8.310 nan 0.000 0.475 604 L N 1.436 122.585 121.223 -0.123 0.000 2.319 604 L HA 0.519 4.857 4.340 -0.003 0.000 0.281 604 L C 0.067 176.826 176.870 -0.185 0.000 1.005 604 L CA -0.429 54.272 54.840 -0.232 0.000 0.828 604 L CB 1.611 43.502 42.059 -0.279 0.000 1.227 604 L HN 0.836 nan 8.230 nan 0.000 0.415 605 E N 4.557 124.675 120.200 -0.136 0.000 2.220 605 E HA 0.121 4.469 4.350 -0.003 0.000 0.272 605 E C 0.031 176.601 176.600 -0.051 0.000 1.099 605 E CA -0.200 56.155 56.400 -0.075 0.000 0.907 605 E CB 0.600 30.266 29.700 -0.057 0.000 1.022 605 E HN 0.574 nan 8.360 nan 0.000 0.428 606 M N 2.867 122.451 119.600 -0.028 0.000 2.540 606 M HA 0.424 4.902 4.480 -0.003 0.000 0.404 606 M C -1.296 175.140 176.300 0.226 0.000 1.133 606 M CA -0.562 54.776 55.300 0.064 0.000 0.900 606 M CB 0.220 32.774 32.600 -0.075 0.000 1.540 606 M HN 0.278 nan 8.290 nan 0.000 0.539 607 W N -0.241 121.017 121.300 -0.071 0.000 3.066 607 W HA 0.659 5.317 4.660 -0.003 0.000 0.330 607 W C 0.345 176.871 176.519 0.011 0.000 1.253 607 W CA 0.021 57.346 57.345 -0.033 0.000 1.187 607 W CB 1.089 30.519 29.460 -0.050 0.000 1.434 607 W HN 0.716 nan 8.180 nan 0.000 0.572 608 G N 1.025 109.769 108.800 -0.094 0.000 2.681 608 G HA2 0.411 4.370 3.960 -0.003 0.000 0.220 608 G HA3 0.411 4.370 3.960 -0.003 0.000 0.220 608 G C 0.605 175.480 174.900 -0.042 0.000 1.353 608 G CA 0.816 45.891 45.100 -0.041 0.000 0.872 608 G HN 2.280 nan 8.290 nan 0.000 0.557 609 G N -1.119 107.694 108.800 0.022 0.000 2.574 609 G HA2 0.165 4.123 3.960 -0.003 0.000 0.286 609 G HA3 0.165 4.123 3.960 -0.003 0.000 0.286 609 G C 1.601 176.513 174.900 0.020 0.000 1.212 609 G CA 2.524 47.640 45.100 0.026 0.000 0.979 609 G HN 2.568 nan 8.290 nan 0.000 0.557 610 A N -0.658 122.166 122.820 0.007 0.000 2.208 610 A HA 0.350 4.669 4.320 -0.003 0.000 0.209 610 A C 2.526 180.102 177.584 -0.014 0.000 1.161 610 A CA 2.520 54.572 52.037 0.026 0.000 0.782 610 A CB -0.820 18.203 19.000 0.038 0.000 0.816 610 A HN 2.030 nan 8.150 nan 0.000 0.477 611 T N -2.975 111.539 114.554 -0.067 0.000 2.788 611 T HA -0.187 4.162 4.350 -0.003 0.000 0.268 611 T C 1.695 176.278 174.700 -0.195 0.000 1.044 611 T CA 1.435 63.472 62.100 -0.105 0.000 1.139 611 T CB -0.590 68.203 68.868 -0.124 0.000 0.867 611 T HN 0.319 nan 8.240 nan 0.000 0.454 612 F N 2.712 122.403 119.950 -0.431 0.000 2.102 612 F HA -0.053 4.473 4.527 -0.003 0.000 0.298 612 F C 2.135 177.732 175.800 -0.338 0.000 1.105 612 F CA 1.914 59.613 58.000 -0.502 0.000 1.239 612 F CB -0.403 38.289 39.000 -0.513 0.000 0.991 612 F HN 0.208 nan 8.300 nan 0.000 0.474 613 D N -0.492 119.839 120.400 -0.116 0.000 2.103 613 D HA -0.150 4.488 4.640 -0.003 0.000 0.199 613 D C 2.153 178.352 176.300 -0.169 0.000 0.978 613 D CA 1.562 55.361 54.000 -0.335 0.000 0.829 613 D CB -0.296 40.322 40.800 -0.303 0.000 0.981 613 D HN 0.148 nan 8.370 nan 0.000 0.464 614 V N 0.814 120.706 119.914 -0.037 0.000 2.343 614 V HA -0.187 3.932 4.120 -0.003 0.000 0.247 614 V C 2.586 178.709 176.094 0.048 0.000 1.051 614 V CA 1.706 64.072 62.300 0.110 0.000 1.036 614 V CB -0.941 30.984 31.823 0.170 0.000 0.654 614 V HN 0.363 nan 8.190 nan 0.000 0.451 615 A N -1.074 121.692 122.820 -0.091 0.000 1.865 615 A HA -0.279 4.039 4.320 -0.003 0.000 0.217 615 A C 2.114 179.594 177.584 -0.174 0.000 1.191 615 A CA 2.208 54.142 52.037 -0.171 0.000 0.623 615 A CB -0.901 17.896 19.000 -0.338 0.000 0.826 615 A HN 0.593 nan 8.150 nan 0.000 0.444 616 Y N -0.386 119.748 120.300 -0.276 0.000 2.200 616 Y HA -0.182 4.366 4.550 -0.003 0.000 0.290 616 Y C 2.711 178.552 175.900 -0.098 0.000 1.137 616 Y CA 1.621 59.556 58.100 -0.274 0.000 1.163 616 Y CB -0.044 38.219 38.460 -0.328 0.000 0.988 616 Y HN 0.516 nan 8.280 nan 0.000 0.518 617 N N -0.638 118.063 118.700 0.001 0.000 2.240 617 N HA -0.114 4.624 4.740 -0.003 0.000 0.187 617 N C 1.557 176.969 175.510 -0.164 0.000 1.042 617 N CA 0.928 53.876 53.050 -0.171 0.000 0.861 617 N CB -0.270 37.949 38.487 -0.447 0.000 1.026 617 N HN 0.171 nan 8.380 nan 0.000 0.441 618 F N 1.253 121.285 119.950 0.138 0.000 2.219 618 F HA 0.149 4.674 4.527 -0.002 0.000 0.294 618 F C 2.223 178.229 175.800 0.343 0.000 1.086 618 F CA 0.387 58.511 58.000 0.206 0.000 1.330 618 F CB -0.086 39.019 39.000 0.175 0.000 1.047 618 F HN -0.001 nan 8.300 nan 0.000 0.495 619 L N -0.386 121.094 121.223 0.428 0.000 2.395 619 L HA -0.029 4.309 4.340 -0.003 0.000 0.218 619 L C 0.666 177.736 176.870 0.334 0.000 1.130 619 L CA 0.392 55.445 54.840 0.356 0.000 0.826 619 L CB -0.476 41.633 42.059 0.083 0.000 0.941 619 L HN 0.054 nan 8.230 nan 0.000 0.451 620 K N 1.350 121.931 120.400 0.302 0.000 3.077 620 K HA -0.200 4.118 4.320 -0.003 0.000 0.264 620 K C -0.047 176.766 176.600 0.355 0.000 1.008 620 K CA 0.761 57.274 56.287 0.377 0.000 0.740 620 K CB -1.019 31.722 32.500 0.402 0.000 1.273 620 K HN 0.696 nan 8.250 nan 0.000 0.477 621 E N -1.352 118.917 120.200 0.114 0.000 2.336 621 E HA 0.274 4.622 4.350 -0.003 0.000 0.267 621 E C -0.923 175.452 176.600 -0.376 0.000 0.906 621 E CA -1.213 55.193 56.400 0.010 0.000 0.781 621 E CB 1.274 30.921 29.700 -0.088 0.000 1.261 621 E HN 0.229 nan 8.360 nan 0.000 0.436 622 N N 2.173 120.682 118.700 -0.319 0.000 2.401 622 N HA 0.083 4.821 4.740 -0.003 0.000 0.255 622 N C -1.519 173.756 175.510 -0.392 0.000 1.110 622 N CA -1.833 50.899 53.050 -0.530 0.000 0.949 622 N CB 0.840 39.283 38.487 -0.072 0.000 1.110 622 N HN 0.357 nan 8.380 nan 0.000 0.490 623 P HA -0.101 nan 4.420 nan 0.000 0.226 623 P C 0.468 177.867 177.300 0.166 0.000 1.153 623 P CA 0.905 63.827 63.100 -0.297 0.000 0.777 623 P CB 0.074 31.319 31.700 -0.758 0.000 0.794 624 W N 1.341 122.735 121.300 0.157 0.000 2.381 624 W HA -0.021 4.638 4.660 -0.003 0.000 0.301 624 W C 2.528 179.065 176.519 0.029 0.000 1.205 624 W CA 0.751 58.208 57.345 0.187 0.000 1.285 624 W CB -0.923 28.643 29.460 0.177 0.000 1.133 624 W HN 0.012 nan 8.180 nan 0.000 0.521 625 E N 0.210 120.542 120.200 0.221 0.000 2.085 625 E HA -0.261 4.087 4.350 -0.003 0.000 0.194 625 E C 2.143 178.773 176.600 0.049 0.000 0.994 625 E CA 1.256 57.721 56.400 0.108 0.000 0.801 625 E CB -0.313 29.432 29.700 0.076 0.000 0.743 625 E HN 0.261 nan 8.360 nan 0.000 0.453 626 R N 0.759 121.282 120.500 0.037 0.000 2.080 626 R HA -0.197 4.142 4.340 -0.003 0.000 0.236 626 R C 2.503 178.790 176.300 -0.022 0.000 1.137 626 R CA 1.320 57.423 56.100 0.005 0.000 0.943 626 R CB -0.375 29.949 30.300 0.039 0.000 0.846 626 R HN 0.134 nan 8.270 nan 0.000 0.431 627 L N 1.587 122.759 121.223 -0.084 0.000 2.013 627 L HA -0.203 4.135 4.340 -0.003 0.000 0.212 627 L C 1.707 178.539 176.870 -0.063 0.000 1.073 627 L CA 2.001 56.684 54.840 -0.261 0.000 0.753 627 L CB -0.454 41.155 42.059 -0.749 0.000 0.890 627 L HN 0.284 nan 8.230 nan 0.000 0.432 628 E N -1.121 119.066 120.200 -0.021 0.000 2.076 628 E HA -0.125 4.223 4.350 -0.003 0.000 0.190 628 E C 2.225 178.828 176.600 0.006 0.000 0.979 628 E CA 0.672 57.070 56.400 -0.003 0.000 0.807 628 E CB -0.122 29.594 29.700 0.026 0.000 0.761 628 E HN 0.469 nan 8.360 nan 0.000 0.454 629 R N 0.574 121.083 120.500 0.015 0.000 2.115 629 R HA -0.061 4.278 4.340 -0.003 0.000 0.230 629 R C 2.407 178.729 176.300 0.036 0.000 1.111 629 R CA 0.756 56.864 56.100 0.013 0.000 0.976 629 R CB -0.299 30.003 30.300 0.003 0.000 0.870 629 R HN 0.221 nan 8.270 nan 0.000 0.445 630 L N 0.152 121.417 121.223 0.070 0.000 2.072 630 L HA -0.106 4.232 4.340 -0.003 0.000 0.205 630 L C 2.724 179.762 176.870 0.280 0.000 1.079 630 L CA 0.778 55.728 54.840 0.184 0.000 0.752 630 L CB -0.350 41.806 42.059 0.161 0.000 0.906 630 L HN 0.013 nan 8.230 nan 0.000 0.436 631 R N 0.757 121.345 120.500 0.146 0.000 2.094 631 R HA -0.171 4.168 4.340 -0.003 0.000 0.239 631 R C 2.222 178.438 176.300 -0.139 0.000 1.137 631 R CA 1.563 57.548 56.100 -0.191 0.000 0.943 631 R CB -0.468 29.713 30.300 -0.199 0.000 0.850 631 R HN 0.176 nan 8.270 nan 0.000 0.433 632 K N -0.244 120.123 120.400 -0.056 0.000 2.026 632 K HA -0.051 4.268 4.320 -0.003 0.000 0.208 632 K C 1.915 178.506 176.600 -0.015 0.000 1.048 632 K CA 1.562 57.823 56.287 -0.043 0.000 0.929 632 K CB -0.336 32.149 32.500 -0.026 0.000 0.713 632 K HN 0.224 nan 8.250 nan 0.000 0.439 633 A N 0.775 123.613 122.820 0.030 0.000 1.969 633 A HA -0.034 4.284 4.320 -0.003 0.000 0.218 633 A C 1.308 178.950 177.584 0.097 0.000 1.169 633 A CA 0.893 52.964 52.037 0.058 0.000 0.635 633 A CB -0.083 18.962 19.000 0.076 0.000 0.810 633 A HN 0.257 nan 8.150 nan 0.000 0.445 634 I N 0.264 120.920 120.570 0.143 0.000 2.697 634 I HA 0.217 4.386 4.170 -0.003 0.000 0.279 634 I C -2.195 173.931 176.117 0.015 0.000 1.171 634 I CA -1.389 60.028 61.300 0.194 0.000 1.135 634 I CB 1.893 40.159 38.000 0.443 0.000 1.445 634 I HN 0.054 nan 8.210 nan 0.000 0.541 635 P HA 0.103 nan 4.420 nan 0.000 0.262 635 P C 0.296 177.547 177.300 -0.082 0.000 1.304 635 P CA 0.426 63.452 63.100 -0.124 0.000 0.859 635 P CB 0.149 31.795 31.700 -0.090 0.000 1.310 636 N N -0.602 118.101 118.700 0.006 0.000 2.294 636 N HA 0.051 4.789 4.740 -0.003 0.000 0.186 636 N C 0.021 175.535 175.510 0.006 0.000 1.107 636 N CA 0.142 53.213 53.050 0.036 0.000 0.884 636 N CB 0.153 38.736 38.487 0.160 0.000 1.030 636 N HN -0.091 nan 8.380 nan 0.000 0.482 637 V N 1.893 121.828 119.914 0.035 0.000 2.555 637 V HA 0.369 4.487 4.120 -0.003 0.000 0.302 637 V C 0.444 176.561 176.094 0.039 0.000 1.038 637 V CA -1.056 61.270 62.300 0.044 0.000 0.887 637 V CB 2.339 34.244 31.823 0.137 0.000 0.991 637 V HN 0.064 nan 8.190 nan 0.000 0.434 638 L N 4.194 125.367 121.223 -0.084 0.000 2.559 638 L HA 0.072 4.410 4.340 -0.003 0.000 0.282 638 L C -0.460 176.506 176.870 0.160 0.000 1.232 638 L CA 0.534 55.310 54.840 -0.106 0.000 0.885 638 L CB -0.095 41.746 42.059 -0.364 0.000 1.131 638 L HN 0.448 nan 8.230 nan 0.000 0.498 639 F N 2.420 122.269 119.950 -0.168 0.000 2.408 639 F HA 0.399 4.924 4.527 -0.003 0.000 0.344 639 F C 0.419 176.120 175.800 -0.165 0.000 1.112 639 F CA -0.699 57.216 58.000 -0.143 0.000 1.096 639 F CB 1.332 40.242 39.000 -0.150 0.000 1.129 639 F HN 0.425 nan 8.300 nan 0.000 0.486 640 Q N 4.674 124.471 119.800 -0.004 0.000 2.365 640 Q HA 0.719 5.058 4.340 -0.003 0.000 0.269 640 Q C -1.200 174.786 176.000 -0.024 0.000 1.061 640 Q CA -0.902 54.883 55.803 -0.030 0.000 0.816 640 Q CB 2.439 31.201 28.738 0.040 0.000 1.325 640 Q HN 0.772 nan 8.270 nan 0.000 0.446 641 M N 1.752 121.330 119.600 -0.035 0.000 2.644 641 M HA 0.554 5.033 4.480 -0.003 0.000 0.304 641 M C -1.766 174.596 176.300 0.104 0.000 1.215 641 M CA -1.180 54.166 55.300 0.076 0.000 0.871 641 M CB 1.616 34.325 32.600 0.181 0.000 1.740 641 M HN 0.560 nan 8.290 nan 0.000 0.464 642 L N 2.487 123.778 121.223 0.113 0.000 2.350 642 L HA 0.709 5.047 4.340 -0.003 0.000 0.275 642 L C -1.592 175.439 176.870 0.268 0.000 1.099 642 L CA -0.300 54.628 54.840 0.146 0.000 0.808 642 L CB 1.475 43.563 42.059 0.048 0.000 1.149 642 L HN 0.821 nan 8.230 nan 0.000 0.442 643 L N 4.979 126.424 121.223 0.369 0.000 2.518 643 L HA 0.460 4.799 4.340 -0.003 0.000 0.262 643 L C -0.417 176.560 176.870 0.178 0.000 0.982 643 L CA -0.266 54.760 54.840 0.310 0.000 0.873 643 L CB 0.985 43.278 42.059 0.389 0.000 1.198 643 L HN 0.651 nan 8.230 nan 0.000 0.427 644 R N 2.760 123.267 120.500 0.012 0.000 2.522 644 R HA 0.318 4.657 4.340 -0.003 0.000 0.284 644 R C 1.211 177.359 176.300 -0.253 0.000 1.032 644 R CA 0.839 56.679 56.100 -0.433 0.000 1.049 644 R CB 1.332 31.440 30.300 -0.321 0.000 0.956 644 R HN 0.891 nan 8.270 nan 0.000 0.422 645 A N 2.942 125.572 122.820 -0.317 0.000 1.877 645 A HA -0.218 4.100 4.320 -0.003 0.000 0.216 645 A C 2.110 179.642 177.584 -0.088 0.000 1.186 645 A CA 2.001 53.955 52.037 -0.138 0.000 0.620 645 A CB -0.729 18.201 19.000 -0.117 0.000 0.822 645 A HN 0.908 nan 8.150 nan 0.000 0.443 646 S N 0.747 116.394 115.700 -0.089 0.000 2.368 646 S HA -0.184 4.284 4.470 -0.003 0.000 0.224 646 S C 1.089 175.696 174.600 0.012 0.000 1.029 646 S CA 1.340 59.526 58.200 -0.022 0.000 0.988 646 S CB -0.646 62.551 63.200 -0.006 0.000 0.838 646 S HN 0.916 nan 8.310 nan 0.000 0.462 647 N N -0.576 118.123 118.700 -0.001 0.000 2.301 647 N HA 0.521 5.260 4.740 -0.003 0.000 0.247 647 N C 0.683 176.148 175.510 -0.075 0.000 1.347 647 N CA 0.226 53.333 53.050 0.095 0.000 0.844 647 N CB 0.898 39.481 38.487 0.160 0.000 1.332 647 N HN 0.483 nan 8.380 nan 0.000 0.494 648 A N 0.539 123.284 122.820 -0.125 0.000 4.725 648 A HA -0.322 3.996 4.320 -0.003 0.000 0.343 648 A C 0.928 178.373 177.584 -0.231 0.000 1.760 648 A CA 1.981 53.892 52.037 -0.210 0.000 0.747 648 A CB -1.614 17.104 19.000 -0.470 0.000 1.450 648 A HN 0.554 nan 8.150 nan 0.000 0.454 649 V N 0.193 119.839 119.914 -0.447 0.000 3.382 649 V HA 0.504 4.622 4.120 -0.003 0.000 0.296 649 V C 1.234 177.281 176.094 -0.078 0.000 1.529 649 V CA 1.145 63.250 62.300 -0.325 0.000 1.048 649 V CB 0.111 31.524 31.823 -0.683 0.000 0.878 649 V HN 1.564 nan 8.190 nan 0.000 0.442 650 G N -0.176 108.541 108.800 -0.138 0.000 2.516 650 G HA2 0.170 4.128 3.960 -0.003 0.000 0.276 650 G HA3 0.170 4.128 3.960 -0.003 0.000 0.276 650 G C 0.212 175.191 174.900 0.132 0.000 1.390 650 G CA 0.541 45.608 45.100 -0.056 0.000 1.050 650 G HN 0.569 nan 8.290 nan 0.000 0.519 651 Y N -1.883 118.356 120.300 -0.103 0.000 2.527 651 Y HA 0.476 5.024 4.550 -0.003 0.000 0.247 651 Y C 0.526 176.360 175.900 -0.110 0.000 1.138 651 Y CA -0.312 57.759 58.100 -0.047 0.000 1.228 651 Y CB 0.138 38.578 38.460 -0.033 0.000 1.252 651 Y HN 0.556 nan 8.280 nan 0.000 0.531 652 K N -0.873 119.146 120.400 -0.636 0.000 2.395 652 K HA 0.378 4.697 4.320 -0.003 0.000 0.272 652 K C -1.385 174.766 176.600 -0.748 0.000 0.984 652 K CA -1.046 54.829 56.287 -0.687 0.000 0.816 652 K CB 0.419 32.337 32.500 -0.970 0.000 1.504 652 K HN -0.139 nan 8.250 nan 0.000 0.375 653 N N 0.035 118.360 118.700 -0.626 0.000 2.513 653 N HA 0.337 5.076 4.740 -0.003 0.000 0.274 653 N C -1.257 173.821 175.510 -0.720 0.000 1.189 653 N CA 0.104 52.872 53.050 -0.470 0.000 0.975 653 N CB 0.299 38.649 38.487 -0.228 0.000 1.157 653 N HN 0.392 nan 8.380 nan 0.000 0.465 654 Y N -0.354 119.875 120.300 -0.118 0.000 2.553 654 Y HA 0.388 4.936 4.550 -0.003 0.000 0.347 654 Y C -1.976 173.900 175.900 -0.040 0.000 1.019 654 Y CA -1.838 56.205 58.100 -0.095 0.000 1.032 654 Y CB 1.831 40.227 38.460 -0.106 0.000 1.284 654 Y HN 0.401 nan 8.280 nan 0.000 0.466 655 P HA 0.045 nan 4.420 nan 0.000 0.272 655 P C -0.176 177.192 177.300 0.112 0.000 1.240 655 P CA -0.006 63.143 63.100 0.082 0.000 0.791 655 P CB 1.243 32.962 31.700 0.031 0.000 0.978 656 D N 0.740 121.198 120.400 0.098 0.000 2.158 656 D HA -0.179 4.459 4.640 -0.003 0.000 0.197 656 D C 1.617 178.063 176.300 0.244 0.000 0.995 656 D CA 1.426 55.518 54.000 0.153 0.000 0.846 656 D CB -0.582 40.293 40.800 0.124 0.000 0.941 656 D HN 0.524 nan 8.370 nan 0.000 0.456 657 N N 0.944 119.749 118.700 0.176 0.000 2.309 657 N HA -0.122 4.617 4.740 -0.003 0.000 0.182 657 N C 1.753 177.517 175.510 0.422 0.000 1.018 657 N CA 0.741 53.941 53.050 0.251 0.000 0.876 657 N CB -0.691 37.881 38.487 0.140 0.000 0.972 657 N HN 0.117 nan 8.380 nan 0.000 0.434 658 V N 1.296 121.417 119.914 0.345 0.000 2.358 658 V HA -0.141 3.978 4.120 -0.003 0.000 0.246 658 V C 2.503 178.717 176.094 0.200 0.000 1.047 658 V CA 0.915 63.420 62.300 0.342 0.000 1.035 658 V CB -0.401 31.523 31.823 0.168 0.000 0.658 658 V HN 0.181 nan 8.190 nan 0.000 0.452 659 I N 0.020 120.681 120.570 0.151 0.000 2.179 659 I HA -0.231 3.937 4.170 -0.003 0.000 0.242 659 I C 2.399 178.564 176.117 0.080 0.000 1.088 659 I CA 1.902 63.247 61.300 0.074 0.000 1.357 659 I CB -1.568 36.438 38.000 0.010 0.000 1.051 659 I HN 0.380 nan 8.210 nan 0.000 0.409 660 H N 0.616 119.750 119.070 0.107 0.000 2.319 660 H HA -0.167 4.388 4.556 -0.003 0.000 0.299 660 H C 2.353 177.732 175.328 0.086 0.000 1.092 660 H CA 2.068 58.164 56.048 0.080 0.000 1.302 660 H CB -0.090 29.715 29.762 0.072 0.000 1.373 660 H HN 0.195 nan 8.280 nan 0.000 0.497 661 K N -0.211 120.325 120.400 0.227 0.000 2.063 661 K HA -0.195 4.123 4.320 -0.003 0.000 0.208 661 K C 1.985 178.656 176.600 0.118 0.000 1.048 661 K CA 1.496 57.823 56.287 0.068 0.000 0.928 661 K CB -0.247 32.143 32.500 -0.184 0.000 0.713 661 K HN 0.199 nan 8.250 nan 0.000 0.442 662 F N 0.875 120.865 119.950 0.067 0.000 2.134 662 F HA -0.196 4.329 4.527 -0.003 0.000 0.299 662 F C 1.830 177.761 175.800 0.218 0.000 1.097 662 F CA 1.172 59.269 58.000 0.161 0.000 1.264 662 F CB -0.219 38.824 39.000 0.072 0.000 1.001 662 F HN -0.208 nan 8.300 nan 0.000 0.479 663 V N 0.285 120.274 119.914 0.125 0.000 2.358 663 V HA -0.321 3.797 4.120 -0.003 0.000 0.246 663 V C 2.303 178.386 176.094 -0.017 0.000 1.047 663 V CA 2.136 64.412 62.300 -0.039 0.000 1.035 663 V CB -0.838 30.853 31.823 -0.221 0.000 0.658 663 V HN 0.370 nan 8.190 nan 0.000 0.452 664 Q N -0.403 119.404 119.800 0.013 0.000 2.014 664 Q HA -0.254 4.084 4.340 -0.003 0.000 0.207 664 Q C 2.422 178.435 176.000 0.022 0.000 0.993 664 Q CA 2.072 57.888 55.803 0.020 0.000 0.850 664 Q CB -0.213 28.538 28.738 0.021 0.000 0.916 664 Q HN 0.577 nan 8.270 nan 0.000 0.417 665 E N -0.041 120.166 120.200 0.011 0.000 2.106 665 E HA -0.094 4.255 4.350 -0.003 0.000 0.192 665 E C 2.170 178.875 176.600 0.174 0.000 0.984 665 E CA 0.890 57.292 56.400 0.004 0.000 0.806 665 E CB -0.190 29.431 29.700 -0.132 0.000 0.750 665 E HN 0.187 nan 8.360 nan 0.000 0.458 666 S N 1.145 116.959 115.700 0.189 0.000 2.356 666 S HA -0.143 4.325 4.470 -0.003 0.000 0.223 666 S C 2.099 176.796 174.600 0.161 0.000 1.032 666 S CA 1.169 59.464 58.200 0.159 0.000 1.005 666 S CB -0.213 63.050 63.200 0.105 0.000 0.867 666 S HN 0.412 nan 8.310 nan 0.000 0.449 667 A N 1.760 124.734 122.820 0.256 0.000 1.877 667 A HA -0.130 4.188 4.320 -0.003 0.000 0.216 667 A C 2.053 179.686 177.584 0.081 0.000 1.186 667 A CA 1.533 53.708 52.037 0.230 0.000 0.620 667 A CB -0.514 18.616 19.000 0.217 0.000 0.822 667 A HN 0.412 nan 8.150 nan 0.000 0.443 668 K N -0.559 119.873 120.400 0.053 0.000 2.074 668 K HA -0.130 4.189 4.320 -0.003 0.000 0.209 668 K C 1.976 178.568 176.600 -0.012 0.000 1.048 668 K CA 1.259 57.550 56.287 0.007 0.000 0.926 668 K CB -0.281 32.213 32.500 -0.011 0.000 0.713 668 K HN 0.458 nan 8.250 nan 0.000 0.444 669 A N -0.348 122.478 122.820 0.011 0.000 2.238 669 A HA 0.149 4.467 4.320 -0.003 0.000 0.208 669 A C 1.310 178.837 177.584 -0.094 0.000 1.177 669 A CA 1.111 53.142 52.037 -0.009 0.000 0.804 669 A CB 0.050 19.116 19.000 0.110 0.000 0.823 669 A HN 0.465 nan 8.150 nan 0.000 0.482 670 G N -1.363 107.372 108.800 -0.108 0.000 2.227 670 G HA2 -0.094 3.865 3.960 -0.003 0.000 0.168 670 G HA3 -0.094 3.865 3.960 -0.003 0.000 0.168 670 G C -0.025 174.778 174.900 -0.162 0.000 1.006 670 G CA -0.150 44.843 45.100 -0.179 0.000 0.684 670 G HN 0.222 nan 8.290 nan 0.000 0.489 671 I N 2.220 122.707 120.570 -0.137 0.000 2.533 671 I HA 0.226 4.394 4.170 -0.003 0.000 0.284 671 I C 0.325 176.339 176.117 -0.171 0.000 1.109 671 I CA 0.328 61.514 61.300 -0.191 0.000 1.412 671 I CB 0.929 38.692 38.000 -0.395 0.000 1.396 671 I HN 0.048 nan 8.210 nan 0.000 0.543 672 D N 4.772 125.087 120.400 -0.142 0.000 2.431 672 D HA 0.090 4.729 4.640 -0.003 0.000 0.227 672 D C 0.318 176.625 176.300 0.012 0.000 1.030 672 D CA 0.831 54.806 54.000 -0.041 0.000 0.897 672 D CB 1.040 41.803 40.800 -0.062 0.000 1.058 672 D HN 0.222 nan 8.370 nan 0.000 0.500 673 V N 1.419 121.281 119.914 -0.088 0.000 2.495 673 V HA 0.369 4.487 4.120 -0.003 0.000 0.298 673 V C -0.901 175.151 176.094 -0.070 0.000 1.031 673 V CA -0.701 61.648 62.300 0.083 0.000 0.871 673 V CB 1.758 33.681 31.823 0.167 0.000 0.988 673 V HN -0.107 nan 8.190 nan 0.000 0.432 674 F N 3.364 123.443 119.950 0.214 0.000 2.382 674 F HA 0.508 5.034 4.527 -0.003 0.000 0.361 674 F C 0.539 176.468 175.800 0.215 0.000 1.109 674 F CA -0.557 57.570 58.000 0.212 0.000 1.031 674 F CB 1.349 40.473 39.000 0.207 0.000 1.234 674 F HN 0.365 nan 8.300 nan 0.000 0.445 675 R N 4.911 125.588 120.500 0.294 0.000 2.291 675 R HA 0.426 4.764 4.340 -0.003 0.000 0.333 675 R C -0.874 175.597 176.300 0.285 0.000 1.082 675 R CA -0.088 56.141 56.100 0.215 0.000 0.948 675 R CB 0.022 30.355 30.300 0.055 0.000 1.009 675 R HN 0.675 nan 8.270 nan 0.000 0.460 676 I N 6.661 127.391 120.570 0.267 0.000 2.353 676 I HA 0.329 4.498 4.170 -0.003 0.000 0.293 676 I C -0.355 175.895 176.117 0.221 0.000 0.992 676 I CA -0.632 60.820 61.300 0.253 0.000 1.268 676 I CB 0.938 39.095 38.000 0.262 0.000 1.387 676 I HN 0.532 nan 8.210 nan 0.000 0.478 677 F N 3.753 123.724 119.950 0.036 0.000 2.613 677 F HA 0.679 5.205 4.527 -0.003 0.000 0.310 677 F C -1.422 174.412 175.800 0.057 0.000 1.085 677 F CA -1.205 56.809 58.000 0.023 0.000 0.945 677 F CB 1.354 40.367 39.000 0.021 0.000 1.298 677 F HN 0.343 nan 8.300 nan 0.000 0.455 678 D N 0.678 121.070 120.400 -0.014 0.000 2.350 678 D HA 0.432 5.070 4.640 -0.003 0.000 0.245 678 D C 0.147 176.519 176.300 0.120 0.000 1.036 678 D CA -0.566 53.393 54.000 -0.069 0.000 0.848 678 D CB 2.388 43.232 40.800 0.073 0.000 1.307 678 D HN 0.574 nan 8.370 nan 0.000 0.469 679 S N 2.058 117.803 115.700 0.074 0.000 2.469 679 S HA -0.063 4.405 4.470 -0.003 0.000 0.238 679 S C 1.301 176.007 174.600 0.176 0.000 0.998 679 S CA 0.727 59.039 58.200 0.186 0.000 0.957 679 S CB -0.121 63.159 63.200 0.133 0.000 0.764 679 S HN 0.546 nan 8.310 nan 0.000 0.514 680 L N 0.709 122.043 121.223 0.185 0.000 3.122 680 L HA 0.348 4.686 4.340 -0.003 0.000 0.274 680 L C -0.339 176.673 176.870 0.238 0.000 1.222 680 L CA -0.331 54.617 54.840 0.179 0.000 1.028 680 L CB -0.180 41.955 42.059 0.128 0.000 1.386 680 L HN 0.014 nan 8.230 nan 0.000 0.578 681 N N 0.228 119.083 118.700 0.257 0.000 2.727 681 N HA -0.236 4.502 4.740 -0.003 0.000 0.249 681 N C -0.855 174.836 175.510 0.301 0.000 1.048 681 N CA 0.706 53.915 53.050 0.265 0.000 0.714 681 N CB -1.003 37.676 38.487 0.319 0.000 0.959 681 N HN 0.468 nan 8.380 nan 0.000 0.544 682 W N 0.904 122.243 121.300 0.064 0.000 2.288 682 W HA 0.503 5.161 4.660 -0.003 0.000 0.325 682 W C 0.877 177.420 176.519 0.039 0.000 1.019 682 W CA -1.006 56.365 57.345 0.042 0.000 1.403 682 W CB 0.176 29.653 29.460 0.029 0.000 1.226 682 W HN -0.057 nan 8.180 nan 0.000 0.391 683 V N 5.086 124.989 119.914 -0.020 0.000 2.332 683 V HA -0.315 3.804 4.120 -0.003 0.000 0.248 683 V C 1.904 177.813 176.094 -0.309 0.000 1.055 683 V CA 2.368 64.606 62.300 -0.104 0.000 1.038 683 V CB -0.568 31.245 31.823 -0.017 0.000 0.651 683 V HN 0.446 nan 8.190 nan 0.000 0.450 684 D N -0.401 119.616 120.400 -0.638 0.000 2.191 684 D HA -0.267 4.372 4.640 -0.003 0.000 0.195 684 D C 2.150 178.021 176.300 -0.716 0.000 1.003 684 D CA 1.631 55.171 54.000 -0.766 0.000 0.867 684 D CB -0.165 39.966 40.800 -1.115 0.000 0.926 684 D HN 0.563 nan 8.370 nan 0.000 0.450 685 Q N -1.100 118.226 119.800 -0.791 0.000 2.403 685 Q HA 0.128 4.466 4.340 -0.003 0.000 0.203 685 Q C 1.363 177.261 176.000 -0.170 0.000 0.932 685 Q CA 0.082 55.647 55.803 -0.397 0.000 0.945 685 Q CB 0.189 28.815 28.738 -0.187 0.000 1.045 685 Q HN 0.290 nan 8.270 nan 0.000 0.511 686 M N -1.274 118.250 119.600 -0.127 0.000 2.461 686 M HA 0.085 4.563 4.480 -0.003 0.000 0.255 686 M C 1.396 177.727 176.300 0.053 0.000 1.137 686 M CA 0.233 55.545 55.300 0.020 0.000 1.086 686 M CB 0.411 33.078 32.600 0.113 0.000 1.356 686 M HN 0.007 nan 8.290 nan 0.000 0.487 687 K N 0.733 121.111 120.400 -0.036 0.000 2.032 687 K HA -0.106 4.212 4.320 -0.003 0.000 0.209 687 K C 1.905 178.461 176.600 -0.072 0.000 1.048 687 K CA 1.341 57.588 56.287 -0.066 0.000 0.927 687 K CB -0.534 31.910 32.500 -0.094 0.000 0.712 687 K HN 0.137 nan 8.250 nan 0.000 0.441 688 V N 1.581 121.458 119.914 -0.061 0.000 2.392 688 V HA -0.266 3.852 4.120 -0.003 0.000 0.249 688 V C 2.416 178.429 176.094 -0.135 0.000 1.059 688 V CA 2.087 64.359 62.300 -0.048 0.000 1.051 688 V CB -0.673 31.144 31.823 -0.011 0.000 0.658 688 V HN 0.397 nan 8.190 nan 0.000 0.455 689 A N 0.084 122.842 122.820 -0.103 0.000 1.897 689 A HA -0.206 4.112 4.320 -0.003 0.000 0.215 689 A C 2.068 179.571 177.584 -0.136 0.000 1.181 689 A CA 1.856 53.820 52.037 -0.123 0.000 0.620 689 A CB -0.730 18.255 19.000 -0.024 0.000 0.821 689 A HN 0.577 nan 8.150 nan 0.000 0.443 690 N N 0.315 118.959 118.700 -0.095 0.000 2.018 690 N HA -0.208 4.530 4.740 -0.003 0.000 0.196 690 N C 1.627 177.010 175.510 -0.212 0.000 1.043 690 N CA 2.231 55.150 53.050 -0.217 0.000 0.856 690 N CB -0.372 37.822 38.487 -0.487 0.000 1.042 690 N HN 0.630 nan 8.380 nan 0.000 0.423 691 E N -0.131 119.970 120.200 -0.166 0.000 2.070 691 E HA -0.219 4.129 4.350 -0.003 0.000 0.197 691 E C 2.013 178.574 176.600 -0.065 0.000 1.004 691 E CA 1.301 57.651 56.400 -0.084 0.000 0.805 691 E CB -0.331 29.374 29.700 0.008 0.000 0.744 691 E HN 0.514 nan 8.360 nan 0.000 0.451 692 A N 1.158 123.856 122.820 -0.203 0.000 1.883 692 A HA -0.190 4.129 4.320 -0.003 0.000 0.217 692 A C 2.580 180.047 177.584 -0.195 0.000 1.186 692 A CA 1.619 53.493 52.037 -0.272 0.000 0.624 692 A CB -0.875 17.762 19.000 -0.605 0.000 0.822 692 A HN 0.136 nan 8.150 nan 0.000 0.444 693 V N 0.165 119.927 119.914 -0.254 0.000 2.295 693 V HA -0.283 3.835 4.120 -0.003 0.000 0.246 693 V C 2.773 178.838 176.094 -0.049 0.000 1.049 693 V CA 2.083 64.237 62.300 -0.244 0.000 1.024 693 V CB -0.831 30.860 31.823 -0.221 0.000 0.648 693 V HN 0.568 nan 8.190 nan 0.000 0.447 694 Q N -0.056 119.731 119.800 -0.023 0.000 2.077 694 Q HA -0.290 4.048 4.340 -0.003 0.000 0.206 694 Q C 2.232 178.251 176.000 0.032 0.000 0.989 694 Q CA 2.062 57.890 55.803 0.041 0.000 0.853 694 Q CB -0.519 28.209 28.738 -0.017 0.000 0.907 694 Q HN 0.750 nan 8.270 nan 0.000 0.418 695 E N 0.125 120.332 120.200 0.012 0.000 2.118 695 E HA -0.151 4.198 4.350 -0.003 0.000 0.195 695 E C 1.637 178.250 176.600 0.022 0.000 0.992 695 E CA 0.982 57.397 56.400 0.026 0.000 0.804 695 E CB 0.014 29.746 29.700 0.053 0.000 0.741 695 E HN 0.343 nan 8.360 nan 0.000 0.458 696 A N -0.057 122.769 122.820 0.009 0.000 2.168 696 A HA 0.119 4.437 4.320 -0.003 0.000 0.215 696 A C 1.696 179.304 177.584 0.039 0.000 1.152 696 A CA 1.034 53.084 52.037 0.021 0.000 0.716 696 A CB -0.487 18.517 19.000 0.008 0.000 0.794 696 A HN 0.438 nan 8.150 nan 0.000 0.465 697 G N -0.813 108.012 108.800 0.040 0.000 2.198 697 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.260 697 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.260 697 G C 0.169 175.093 174.900 0.039 0.000 1.025 697 G CA 0.747 45.867 45.100 0.033 0.000 0.769 697 G HN 0.456 nan 8.290 nan 0.000 0.507 698 K N -0.707 119.749 120.400 0.093 0.000 2.393 698 K HA 0.693 5.011 4.320 -0.003 0.000 0.241 698 K C 0.763 177.466 176.600 0.172 0.000 1.055 698 K CA -1.093 55.289 56.287 0.158 0.000 0.951 698 K CB 1.034 33.740 32.500 0.345 0.000 1.285 698 K HN 0.188 nan 8.250 nan 0.000 0.500 699 I N 0.717 121.437 120.570 0.249 0.000 2.365 699 I HA 0.087 4.256 4.170 -0.003 0.000 0.291 699 I C 0.382 176.814 176.117 0.524 0.000 1.004 699 I CA -0.199 61.287 61.300 0.310 0.000 1.311 699 I CB 1.443 39.607 38.000 0.274 0.000 1.401 699 I HN 0.231 nan 8.210 nan 0.000 0.491 700 S N 6.217 122.329 115.700 0.687 0.000 2.474 700 S HA 0.311 4.779 4.470 -0.003 0.000 0.321 700 S C -0.442 174.494 174.600 0.560 0.000 1.080 700 S CA -0.722 57.800 58.200 0.537 0.000 1.106 700 S CB 0.385 63.765 63.200 0.300 0.000 0.984 700 S HN 0.507 nan 8.310 nan 0.000 0.464 701 E N 3.107 123.582 120.200 0.459 0.000 2.115 701 E HA 0.378 4.727 4.350 -0.003 0.000 0.282 701 E C 0.304 176.912 176.600 0.013 0.000 0.987 701 E CA -0.643 55.924 56.400 0.278 0.000 0.797 701 E CB 1.365 31.194 29.700 0.215 0.000 1.086 701 E HN 0.667 nan 8.360 nan 0.000 0.397 702 G N 2.647 111.189 108.800 -0.431 0.000 2.355 702 G HA2 0.227 4.185 3.960 -0.003 0.000 0.276 702 G HA3 0.227 4.185 3.960 -0.003 0.000 0.276 702 G C -0.206 174.441 174.900 -0.421 0.000 1.198 702 G CA -0.149 44.236 45.100 -1.190 0.000 0.876 702 G HN 0.304 nan 8.290 nan 0.000 0.478 703 T N 2.603 116.997 114.554 -0.267 0.000 2.823 703 T HA 0.463 4.811 4.350 -0.003 0.000 0.279 703 T C 0.104 174.817 174.700 0.021 0.000 0.998 703 T CA -0.167 61.903 62.100 -0.049 0.000 0.994 703 T CB 1.416 70.324 68.868 0.067 0.000 0.960 703 T HN 0.318 nan 8.240 nan 0.000 0.448 704 I N 2.195 122.811 120.570 0.077 0.000 2.355 704 I HA 0.284 4.452 4.170 -0.003 0.000 0.288 704 I C -0.041 176.217 176.117 0.234 0.000 0.999 704 I CA -0.660 60.748 61.300 0.181 0.000 1.163 704 I CB 0.968 39.100 38.000 0.219 0.000 1.316 704 I HN 0.572 nan 8.210 nan 0.000 0.454 705 C N 6.060 125.525 119.300 0.275 0.000 2.514 705 C HA 0.158 4.617 4.460 -0.003 0.000 0.392 705 C C 0.140 175.336 174.990 0.344 0.000 1.294 705 C CA -0.341 58.831 59.018 0.257 0.000 1.957 705 C CB -0.511 27.364 27.740 0.224 0.000 2.541 705 C HN 0.517 nan 8.230 nan 0.000 0.569 706 Y N 3.647 124.038 120.300 0.152 0.000 2.350 706 Y HA 0.477 5.025 4.550 -0.003 0.000 0.340 706 Y C 0.892 176.839 175.900 0.078 0.000 1.006 706 Y CA 0.234 58.420 58.100 0.144 0.000 1.166 706 Y CB 0.632 39.092 38.460 0.001 0.000 1.168 706 Y HN 0.867 nan 8.280 nan 0.000 0.502 707 T N 1.984 116.268 114.554 -0.450 0.000 2.858 707 T HA 0.849 5.197 4.350 -0.003 0.000 0.285 707 T C 0.393 174.666 174.700 -0.711 0.000 1.052 707 T CA -0.404 61.371 62.100 -0.541 0.000 1.009 707 T CB 1.104 69.609 68.868 -0.604 0.000 1.241 707 T HN 1.275 nan 8.240 nan 0.000 0.542 708 G N 0.419 108.975 108.800 -0.408 0.000 2.598 708 G HA2 0.074 4.032 3.960 -0.003 0.000 0.244 708 G HA3 0.074 4.032 3.960 -0.003 0.000 0.244 708 G C -1.002 173.839 174.900 -0.098 0.000 1.302 708 G CA 0.334 45.312 45.100 -0.203 0.000 0.903 708 G HN 1.162 nan 8.290 nan 0.000 0.575 709 D N -0.448 119.971 120.400 0.031 0.000 2.375 709 D HA 0.402 5.040 4.640 -0.003 0.000 0.241 709 D C 1.517 177.914 176.300 0.162 0.000 1.361 709 D CA 0.027 54.104 54.000 0.129 0.000 0.995 709 D CB 0.256 41.096 40.800 0.066 0.000 1.312 709 D HN 0.966 nan 8.370 nan 0.000 0.576 710 I N 0.572 121.302 120.570 0.266 0.000 2.700 710 I HA -0.072 4.097 4.170 -0.003 0.000 0.261 710 I C 1.164 177.371 176.117 0.150 0.000 1.219 710 I CA 0.651 62.096 61.300 0.242 0.000 1.463 710 I CB -0.123 38.069 38.000 0.321 0.000 1.092 710 I HN 0.280 nan 8.210 nan 0.000 0.452 711 L N 0.834 122.124 121.223 0.112 0.000 2.313 711 L HA 0.044 4.383 4.340 -0.003 0.000 0.214 711 L C 0.873 177.770 176.870 0.045 0.000 1.119 711 L CA 0.564 55.441 54.840 0.062 0.000 0.809 711 L CB -0.523 41.552 42.059 0.027 0.000 0.933 711 L HN 0.341 nan 8.230 nan 0.000 0.449 712 N N 0.446 119.175 118.700 0.049 0.000 2.558 712 N HA 0.164 4.902 4.740 -0.003 0.000 0.242 712 N C -1.833 173.705 175.510 0.048 0.000 0.979 712 N CA -2.266 50.804 53.050 0.034 0.000 0.931 712 N CB 1.369 39.868 38.487 0.019 0.000 1.122 712 N HN -0.167 nan 8.380 nan 0.000 0.508 713 P HA -0.081 nan 4.420 nan 0.000 0.225 713 P C 0.266 177.586 177.300 0.034 0.000 1.148 713 P CA 1.104 64.229 63.100 0.041 0.000 0.779 713 P CB 0.573 32.293 31.700 0.033 0.000 0.780 714 E N -0.534 119.682 120.200 0.026 0.000 2.385 714 E HA -0.068 4.280 4.350 -0.003 0.000 0.194 714 E C 2.076 178.692 176.600 0.027 0.000 1.013 714 E CA 0.075 56.484 56.400 0.015 0.000 0.866 714 E CB -0.081 29.619 29.700 0.000 0.000 0.832 714 E HN 0.032 nan 8.360 nan 0.000 0.500 715 R N 1.216 121.746 120.500 0.051 0.000 2.075 715 R HA 0.007 4.346 4.340 -0.003 0.000 0.232 715 R C 0.976 177.359 176.300 0.137 0.000 1.126 715 R CA 1.321 57.474 56.100 0.089 0.000 0.963 715 R CB -0.037 30.317 30.300 0.089 0.000 0.858 715 R HN 0.042 nan 8.270 nan 0.000 0.435 716 S N -3.665 112.102 115.700 0.111 0.000 2.761 716 S HA 0.328 4.797 4.470 -0.003 0.000 0.290 716 S C 0.143 174.773 174.600 0.049 0.000 1.222 716 S CA -0.217 58.051 58.200 0.114 0.000 0.954 716 S CB -0.177 63.133 63.200 0.184 0.000 1.281 716 S HN 0.019 nan 8.310 nan 0.000 0.527 717 I N -0.029 120.432 120.570 -0.180 0.000 4.273 717 I HA -0.314 3.855 4.170 -0.003 0.000 0.095 717 I C 0.599 176.317 176.117 -0.666 0.000 0.589 717 I CA 2.300 63.331 61.300 -0.448 0.000 1.003 717 I CB -2.132 35.473 38.000 -0.658 0.000 0.890 717 I HN 0.795 nan 8.210 nan 0.000 0.194 718 Y N 2.873 122.935 120.300 -0.396 0.000 2.830 718 Y HA 0.293 4.842 4.550 -0.003 0.000 0.371 718 Y C 1.403 177.228 175.900 -0.125 0.000 1.246 718 Y CA 0.085 57.868 58.100 -0.529 0.000 1.890 718 Y CB -0.299 37.900 38.460 -0.436 0.000 1.995 718 Y HN 0.342 nan 8.280 nan 0.000 0.430 719 T N -3.460 111.117 114.554 0.038 0.000 2.912 719 T HA 0.158 4.506 4.350 -0.003 0.000 0.280 719 T C 1.106 176.013 174.700 0.344 0.000 0.989 719 T CA -0.850 61.361 62.100 0.185 0.000 0.995 719 T CB 1.239 70.171 68.868 0.107 0.000 1.077 719 T HN 0.276 nan 8.240 nan 0.000 0.531 720 L N 1.338 122.762 121.223 0.335 0.000 2.021 720 L HA -0.136 4.202 4.340 -0.003 0.000 0.215 720 L C 2.767 179.801 176.870 0.273 0.000 1.074 720 L CA 2.506 57.553 54.840 0.345 0.000 0.760 720 L CB -1.243 40.939 42.059 0.205 0.000 0.889 720 L HN 0.996 nan 8.230 nan 0.000 0.433 721 E N -2.247 118.059 120.200 0.177 0.000 2.204 721 E HA -0.314 4.035 4.350 -0.003 0.000 0.195 721 E C 2.249 178.909 176.600 0.101 0.000 0.990 721 E CA 1.519 57.989 56.400 0.115 0.000 0.821 721 E CB -0.934 28.812 29.700 0.078 0.000 0.750 721 E HN 0.652 nan 8.360 nan 0.000 0.477 722 Y N 0.523 120.804 120.300 -0.032 0.000 2.200 722 Y HA -0.197 4.352 4.550 -0.003 0.000 0.290 722 Y C 1.517 177.348 175.900 -0.115 0.000 1.137 722 Y CA 1.585 59.599 58.100 -0.144 0.000 1.163 722 Y CB -0.308 37.964 38.460 -0.314 0.000 0.988 722 Y HN -0.014 nan 8.280 nan 0.000 0.518 723 Y N -0.891 119.439 120.300 0.049 0.000 2.200 723 Y HA -0.205 4.343 4.550 -0.003 0.000 0.290 723 Y C 2.576 178.434 175.900 -0.069 0.000 1.137 723 Y CA 1.454 59.535 58.100 -0.033 0.000 1.163 723 Y CB -0.549 38.019 38.460 0.181 0.000 0.988 723 Y HN -0.043 nan 8.280 nan 0.000 0.518 724 V N 0.806 120.802 119.914 0.136 0.000 2.287 724 V HA -0.340 3.778 4.120 -0.003 0.000 0.248 724 V C 2.497 178.590 176.094 -0.001 0.000 1.053 724 V CA 2.124 64.460 62.300 0.061 0.000 1.027 724 V CB -0.559 31.301 31.823 0.061 0.000 0.646 724 V HN 0.352 nan 8.190 nan 0.000 0.447 725 K N 0.014 120.388 120.400 -0.043 0.000 2.057 725 K HA -0.181 4.137 4.320 -0.003 0.000 0.207 725 K C 2.163 178.703 176.600 -0.099 0.000 1.049 725 K CA 1.698 57.945 56.287 -0.066 0.000 0.931 725 K CB -0.446 32.011 32.500 -0.072 0.000 0.714 725 K HN 0.378 nan 8.250 nan 0.000 0.440 726 L N 1.264 122.368 121.223 -0.197 0.000 2.093 726 L HA -0.059 4.279 4.340 -0.003 0.000 0.208 726 L C 2.347 179.175 176.870 -0.070 0.000 1.085 726 L CA 1.957 56.685 54.840 -0.186 0.000 0.755 726 L CB -0.777 41.070 42.059 -0.354 0.000 0.904 726 L HN 0.227 nan 8.230 nan 0.000 0.435 727 A N -0.527 122.274 122.820 -0.033 0.000 1.858 727 A HA -0.234 4.085 4.320 -0.003 0.000 0.216 727 A C 2.311 179.899 177.584 0.007 0.000 1.190 727 A CA 1.928 53.966 52.037 0.000 0.000 0.617 727 A CB -0.531 18.481 19.000 0.020 0.000 0.827 727 A HN 0.456 nan 8.150 nan 0.000 0.443 728 K N -0.564 119.838 120.400 0.003 0.000 2.152 728 K HA -0.203 4.115 4.320 -0.003 0.000 0.206 728 K C 2.078 178.688 176.600 0.018 0.000 1.048 728 K CA 1.580 57.874 56.287 0.011 0.000 0.933 728 K CB -0.115 32.388 32.500 0.005 0.000 0.721 728 K HN 0.722 nan 8.250 nan 0.000 0.447 729 E N 1.012 121.217 120.200 0.008 0.000 2.072 729 E HA -0.132 4.216 4.350 -0.003 0.000 0.190 729 E C 1.936 178.574 176.600 0.063 0.000 0.982 729 E CA 0.643 57.056 56.400 0.021 0.000 0.803 729 E CB 0.103 29.804 29.700 0.002 0.000 0.755 729 E HN 0.216 nan 8.360 nan 0.000 0.453 730 L N 0.643 121.908 121.223 0.070 0.000 2.093 730 L HA -0.125 4.213 4.340 -0.003 0.000 0.208 730 L C 2.644 179.667 176.870 0.254 0.000 1.085 730 L CA 1.188 56.129 54.840 0.168 0.000 0.755 730 L CB -0.390 41.658 42.059 -0.019 0.000 0.904 730 L HN 0.258 nan 8.230 nan 0.000 0.435 731 E N 0.590 120.867 120.200 0.129 0.000 2.085 731 E HA -0.250 4.099 4.350 -0.003 0.000 0.194 731 E C 2.346 178.989 176.600 0.072 0.000 0.994 731 E CA 1.184 57.645 56.400 0.101 0.000 0.801 731 E CB 0.092 29.827 29.700 0.058 0.000 0.743 731 E HN 0.328 nan 8.360 nan 0.000 0.453 732 R N 0.167 120.701 120.500 0.056 0.000 2.105 732 R HA -0.116 4.222 4.340 -0.003 0.000 0.239 732 R C 2.090 178.396 176.300 0.010 0.000 1.135 732 R CA 1.281 57.397 56.100 0.027 0.000 0.967 732 R CB -0.085 30.228 30.300 0.021 0.000 0.861 732 R HN 0.210 nan 8.270 nan 0.000 0.442 733 E N -0.540 119.685 120.200 0.041 0.000 2.409 733 E HA -0.054 4.295 4.350 -0.003 0.000 0.198 733 E C 0.963 177.437 176.600 -0.210 0.000 1.024 733 E CA 0.920 57.292 56.400 -0.046 0.000 0.861 733 E CB 0.154 29.888 29.700 0.057 0.000 0.788 733 E HN 0.566 nan 8.360 nan 0.000 0.521 734 G N 1.267 109.992 108.800 -0.125 0.000 2.171 734 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.238 734 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.238 734 G C -0.087 174.579 174.900 -0.389 0.000 1.039 734 G CA -0.174 44.801 45.100 -0.208 0.000 0.759 734 G HN 0.142 nan 8.290 nan 0.000 0.501 735 F N 0.331 120.171 119.950 -0.183 0.000 2.459 735 F HA 0.395 4.920 4.527 -0.003 0.000 0.346 735 F C 1.921 177.601 175.800 -0.201 0.000 1.128 735 F CA -0.064 57.810 58.000 -0.210 0.000 1.268 735 F CB 0.610 39.578 39.000 -0.052 0.000 1.161 735 F HN 0.158 nan 8.300 nan 0.000 0.583 736 H N 2.623 121.851 119.070 0.264 0.000 2.512 736 H HA 0.297 4.851 4.556 -0.003 0.000 0.279 736 H C 0.287 175.720 175.328 0.174 0.000 0.999 736 H CA 0.939 57.099 56.048 0.186 0.000 1.283 736 H CB 0.411 30.281 29.762 0.180 0.000 1.421 736 H HN 0.329 nan 8.280 nan 0.000 0.554 737 I N 0.691 121.433 120.570 0.286 0.000 2.827 737 I HA 0.129 4.297 4.170 -0.003 0.000 0.298 737 I C -1.234 174.959 176.117 0.126 0.000 1.235 737 I CA -1.112 60.297 61.300 0.182 0.000 1.021 737 I CB 3.416 41.528 38.000 0.186 0.000 1.259 737 I HN -0.157 nan 8.210 nan 0.000 0.427 738 L N 4.846 126.109 121.223 0.066 0.000 2.276 738 L HA 0.771 5.109 4.340 -0.003 0.000 0.286 738 L C -0.093 176.795 176.870 0.030 0.000 1.024 738 L CA 0.015 54.867 54.840 0.019 0.000 0.826 738 L CB 1.058 43.122 42.059 0.008 0.000 1.211 738 L HN 0.683 nan 8.230 nan 0.000 0.422 739 A N 6.147 128.972 122.820 0.009 0.000 2.309 739 A HA 0.669 4.988 4.320 -0.003 0.000 0.298 739 A C -0.526 177.060 177.584 0.004 0.000 1.165 739 A CA -0.549 51.489 52.037 0.001 0.000 0.821 739 A CB 0.334 19.298 19.000 -0.059 0.000 1.102 739 A HN 0.579 nan 8.150 nan 0.000 0.500 740 I N 2.394 122.972 120.570 0.013 0.000 2.312 740 I HA 0.275 4.443 4.170 -0.003 0.000 0.290 740 I C 0.313 176.466 176.117 0.059 0.000 1.008 740 I CA -0.129 61.188 61.300 0.028 0.000 1.226 740 I CB 1.089 39.076 38.000 -0.023 0.000 1.371 740 I HN 0.719 nan 8.210 nan 0.000 0.468 741 K N 5.061 125.509 120.400 0.081 0.000 2.292 741 K HA 0.190 4.508 4.320 -0.003 0.000 0.270 741 K C -0.565 176.136 176.600 0.168 0.000 1.062 741 K CA -0.389 55.961 56.287 0.106 0.000 0.916 741 K CB 0.606 33.085 32.500 -0.035 0.000 1.166 741 K HN 0.383 nan 8.250 nan 0.000 0.458 742 D N 6.140 126.659 120.400 0.199 0.000 2.500 742 D HA 0.026 4.664 4.640 -0.003 0.000 0.219 742 D C 1.371 177.802 176.300 0.218 0.000 1.137 742 D CA -0.454 53.659 54.000 0.188 0.000 0.946 742 D CB 0.687 41.545 40.800 0.096 0.000 1.022 742 D HN 0.574 nan 8.370 nan 0.000 0.518 743 M N 1.183 120.875 119.600 0.153 0.000 2.319 743 M HA 0.094 4.573 4.480 -0.003 0.000 0.265 743 M C 0.914 177.135 176.300 -0.131 0.000 1.068 743 M CA 0.948 56.271 55.300 0.038 0.000 1.118 743 M CB -0.537 32.049 32.600 -0.024 0.000 1.395 743 M HN 0.255 nan 8.290 nan 0.000 0.435 744 A N 0.399 123.204 122.820 -0.026 0.000 2.465 744 A HA 0.554 4.873 4.320 -0.003 0.000 0.255 744 A C 1.391 178.950 177.584 -0.041 0.000 1.274 744 A CA 0.290 52.289 52.037 -0.063 0.000 0.920 744 A CB -0.780 18.204 19.000 -0.026 0.000 1.033 744 A HN 0.808 nan 8.150 nan 0.000 0.516 745 G N -0.171 108.642 108.800 0.021 0.000 2.323 745 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.292 745 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.292 745 G C 0.496 175.427 174.900 0.051 0.000 1.040 745 G CA 0.690 45.798 45.100 0.014 0.000 0.942 745 G HN 0.537 nan 8.290 nan 0.000 0.506 746 L N -1.200 120.118 121.223 0.158 0.000 2.585 746 L HA 0.320 4.658 4.340 -0.003 0.000 0.226 746 L C 1.477 178.558 176.870 0.352 0.000 1.113 746 L CA -0.386 54.641 54.840 0.313 0.000 0.876 746 L CB 0.270 42.503 42.059 0.290 0.000 1.072 746 L HN 0.311 nan 8.230 nan 0.000 0.468 747 L N 2.116 123.424 121.223 0.142 0.000 2.448 747 L HA 0.112 4.450 4.340 -0.003 0.000 0.278 747 L C 0.465 177.311 176.870 -0.040 0.000 1.201 747 L CA 0.220 54.975 54.840 -0.142 0.000 1.036 747 L CB -0.559 41.270 42.059 -0.384 0.000 1.325 747 L HN -0.023 nan 8.230 nan 0.000 0.441 748 K N 5.525 125.934 120.400 0.015 0.000 2.414 748 K HA 0.043 4.361 4.320 -0.003 0.000 0.272 748 K C -1.482 175.096 176.600 -0.037 0.000 0.993 748 K CA -0.896 55.383 56.287 -0.013 0.000 0.964 748 K CB 0.198 32.647 32.500 -0.085 0.000 0.925 748 K HN 0.310 nan 8.250 nan 0.000 0.487 749 P HA -0.280 nan 4.420 nan 0.000 0.214 749 P C 0.902 178.198 177.300 -0.008 0.000 1.169 749 P CA 1.383 64.467 63.100 -0.026 0.000 0.908 749 P CB 0.223 31.901 31.700 -0.036 0.000 0.791 750 K N -0.560 119.831 120.400 -0.014 0.000 2.209 750 K HA -0.058 4.260 4.320 -0.003 0.000 0.204 750 K C 1.928 178.561 176.600 0.056 0.000 1.048 750 K CA 1.513 57.810 56.287 0.016 0.000 0.940 750 K CB -0.852 31.642 32.500 -0.010 0.000 0.729 750 K HN 0.030 nan 8.250 nan 0.000 0.451 751 A N 0.611 123.438 122.820 0.011 0.000 1.969 751 A HA -0.031 4.287 4.320 -0.003 0.000 0.218 751 A C 2.312 179.857 177.584 -0.065 0.000 1.169 751 A CA 1.713 53.747 52.037 -0.006 0.000 0.635 751 A CB -0.398 18.594 19.000 -0.013 0.000 0.810 751 A HN 0.316 nan 8.150 nan 0.000 0.445 752 A N -1.188 121.590 122.820 -0.069 0.000 1.855 752 A HA -0.094 4.224 4.320 -0.003 0.000 0.215 752 A C 2.128 179.695 177.584 -0.028 0.000 1.191 752 A CA 1.586 53.570 52.037 -0.089 0.000 0.613 752 A CB -0.958 18.013 19.000 -0.049 0.000 0.829 752 A HN 0.690 nan 8.150 nan 0.000 0.442 753 Y N 0.811 121.063 120.300 -0.080 0.000 2.114 753 Y HA -0.266 4.282 4.550 -0.003 0.000 0.282 753 Y C 2.328 178.198 175.900 -0.051 0.000 1.165 753 Y CA 2.484 60.546 58.100 -0.063 0.000 1.148 753 Y CB -0.253 38.174 38.460 -0.054 0.000 0.972 753 Y HN 0.485 nan 8.280 nan 0.000 0.504 754 E N -0.448 119.779 120.200 0.045 0.000 2.047 754 E HA -0.201 4.147 4.350 -0.003 0.000 0.191 754 E C 2.066 178.620 176.600 -0.076 0.000 0.987 754 E CA 1.169 57.557 56.400 -0.020 0.000 0.799 754 E CB -0.354 29.392 29.700 0.077 0.000 0.752 754 E HN 0.435 nan 8.360 nan 0.000 0.449 755 L N 1.082 122.262 121.223 -0.071 0.000 2.017 755 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 755 L C 2.034 178.840 176.870 -0.107 0.000 1.073 755 L CA 1.640 56.429 54.840 -0.085 0.000 0.745 755 L CB -0.202 41.752 42.059 -0.176 0.000 0.894 755 L HN 0.105 nan 8.230 nan 0.000 0.432 756 I N -0.677 119.807 120.570 -0.143 0.000 2.353 756 I HA -0.124 4.045 4.170 -0.003 0.000 0.248 756 I C 2.471 178.485 176.117 -0.172 0.000 1.119 756 I CA 0.957 62.171 61.300 -0.143 0.000 1.417 756 I CB -1.032 36.883 38.000 -0.141 0.000 1.078 756 I HN 0.412 nan 8.210 nan 0.000 0.421 757 G N 0.564 109.209 108.800 -0.259 0.000 2.491 757 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.218 757 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.218 757 G C 1.578 176.380 174.900 -0.162 0.000 1.180 757 G CA 0.659 45.581 45.100 -0.297 0.000 0.774 757 G HN 0.275 nan 8.290 nan 0.000 0.562 758 E N 0.071 120.205 120.200 -0.110 0.000 2.204 758 E HA 0.024 4.373 4.350 -0.003 0.000 0.194 758 E C 2.690 179.271 176.600 -0.032 0.000 0.989 758 E CA 0.351 56.722 56.400 -0.048 0.000 0.824 758 E CB -0.080 29.617 29.700 -0.004 0.000 0.756 758 E HN 0.456 nan 8.360 nan 0.000 0.477 759 L N 0.464 121.661 121.223 -0.043 0.000 2.131 759 L HA -0.085 4.253 4.340 -0.003 0.000 0.206 759 L C 2.420 179.269 176.870 -0.035 0.000 1.087 759 L CA 0.715 55.540 54.840 -0.025 0.000 0.767 759 L CB -0.222 41.821 42.059 -0.025 0.000 0.917 759 L HN -0.039 nan 8.230 nan 0.000 0.441 760 K N -0.110 120.255 120.400 -0.059 0.000 2.103 760 K HA -0.127 4.191 4.320 -0.003 0.000 0.207 760 K C 2.244 178.819 176.600 -0.042 0.000 1.048 760 K CA 1.498 57.751 56.287 -0.058 0.000 0.930 760 K CB -0.122 32.330 32.500 -0.080 0.000 0.716 760 K HN 0.233 nan 8.250 nan 0.000 0.444 761 S N 0.898 116.574 115.700 -0.040 0.000 2.357 761 S HA -0.085 4.384 4.470 -0.003 0.000 0.221 761 S C 2.162 176.754 174.600 -0.014 0.000 1.031 761 S CA 1.101 59.286 58.200 -0.026 0.000 0.982 761 S CB -0.128 63.057 63.200 -0.024 0.000 0.853 761 S HN 0.423 nan 8.310 nan 0.000 0.458 762 A N 1.391 124.206 122.820 -0.009 0.000 1.933 762 A HA 0.174 4.492 4.320 -0.003 0.000 0.218 762 A C 1.247 178.832 177.584 0.003 0.000 1.175 762 A CA 1.433 53.470 52.037 0.001 0.000 0.628 762 A CB -0.542 18.463 19.000 0.008 0.000 0.814 762 A HN 0.509 nan 8.150 nan 0.000 0.444 766 L N 4.112 125.349 121.223 0.024 0.000 2.525 766 L HA 0.198 4.536 4.340 -0.003 0.000 0.278 766 L C -1.798 175.074 176.870 0.002 0.000 1.218 766 L CA -0.500 54.361 54.840 0.034 0.000 0.878 766 L CB -0.565 41.526 42.059 0.052 0.000 1.127 766 L HN -0.126 nan 8.230 nan 0.000 0.492 767 P HA 0.188 nan 4.420 nan 0.000 0.272 767 P C -0.612 176.652 177.300 -0.060 0.000 1.223 767 P CA -0.117 62.945 63.100 -0.063 0.000 0.784 767 P CB 0.745 32.386 31.700 -0.099 0.000 0.923 768 I N 1.814 122.332 120.570 -0.087 0.000 2.377 768 I HA 0.270 4.439 4.170 -0.003 0.000 0.293 768 I C 0.611 176.693 176.117 -0.057 0.000 0.987 768 I CA -0.537 60.730 61.300 -0.056 0.000 1.185 768 I CB 0.963 38.926 38.000 -0.061 0.000 1.341 768 I HN 0.424 nan 8.210 nan 0.000 0.455 769 H N 6.338 125.338 119.070 -0.117 0.000 2.685 769 H HA 0.436 4.991 4.556 -0.003 0.000 0.307 769 H C -1.263 174.021 175.328 -0.072 0.000 1.017 769 H CA -1.013 54.960 56.048 -0.125 0.000 1.237 769 H CB 1.292 30.988 29.762 -0.108 0.000 1.409 769 H HN 0.409 nan 8.280 nan 0.000 0.488 770 L N 5.207 126.507 121.223 0.128 0.000 2.307 770 L HA 0.305 4.644 4.340 -0.003 0.000 0.282 770 L C -1.207 175.731 176.870 0.114 0.000 1.051 770 L CA -0.395 54.475 54.840 0.050 0.000 0.804 770 L CB 0.972 43.010 42.059 -0.035 0.000 1.197 770 L HN 0.750 nan 8.230 nan 0.000 0.431 771 H N 2.370 121.454 119.070 0.023 0.000 2.744 771 H HA 0.612 5.167 4.556 -0.003 0.000 0.339 771 H C -1.139 174.225 175.328 0.061 0.000 1.004 771 H CA -0.122 55.943 56.048 0.028 0.000 1.257 771 H CB 1.375 31.084 29.762 -0.089 0.000 1.552 771 H HN 0.780 nan 8.280 nan 0.000 0.522 772 T N 3.319 117.677 114.554 -0.326 0.000 2.888 772 T HA 0.381 4.729 4.350 -0.003 0.000 0.288 772 T C -1.261 173.124 174.700 -0.525 0.000 1.063 772 T CA -0.628 61.300 62.100 -0.287 0.000 1.010 772 T CB 0.941 69.692 68.868 -0.195 0.000 1.214 772 T HN 0.698 nan 8.240 nan 0.000 0.533 773 H N 1.400 120.302 119.070 -0.279 0.000 2.569 773 H HA 0.297 4.851 4.556 -0.003 0.000 0.357 773 H C -0.637 174.560 175.328 -0.218 0.000 1.153 773 H CA -0.520 55.389 56.048 -0.231 0.000 1.193 773 H CB 2.056 31.731 29.762 -0.144 0.000 1.602 773 H HN 0.592 nan 8.280 nan 0.000 0.523 774 D N 1.413 121.745 120.400 -0.113 0.000 2.561 774 D HA -0.041 4.597 4.640 -0.003 0.000 0.232 774 D C 1.568 177.810 176.300 -0.097 0.000 1.198 774 D CA 0.008 53.924 54.000 -0.139 0.000 0.826 774 D CB 0.051 40.755 40.800 -0.161 0.000 0.992 774 D HN 0.611 nan 8.370 nan 0.000 0.490 775 T N -2.123 112.384 114.554 -0.079 0.000 2.881 775 T HA -0.160 4.189 4.350 -0.003 0.000 0.270 775 T C 1.747 176.354 174.700 -0.157 0.000 1.068 775 T CA 1.946 63.983 62.100 -0.103 0.000 1.131 775 T CB -0.147 68.658 68.868 -0.104 0.000 0.871 775 T HN 0.146 nan 8.240 nan 0.000 0.479 776 S N -0.798 114.796 115.700 -0.178 0.000 2.524 776 S HA 0.398 4.866 4.470 -0.003 0.000 0.216 776 S C 1.903 176.439 174.600 -0.108 0.000 0.987 776 S CA 0.820 58.898 58.200 -0.203 0.000 0.909 776 S CB -0.339 62.694 63.200 -0.278 0.000 0.781 776 S HN 1.169 nan 8.310 nan 0.000 0.521 777 G N 1.624 110.368 108.800 -0.093 0.000 2.179 777 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.260 777 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.260 777 G C 0.344 175.209 174.900 -0.059 0.000 0.977 777 G CA 0.318 45.376 45.100 -0.070 0.000 0.641 777 G HN 0.638 nan 8.290 nan 0.000 0.533 778 N N 0.392 119.059 118.700 -0.055 0.000 2.235 778 N HA 0.335 5.073 4.740 -0.003 0.000 0.209 778 N C 2.185 177.633 175.510 -0.104 0.000 1.122 778 N CA 0.287 53.311 53.050 -0.045 0.000 0.845 778 N CB 0.169 38.666 38.487 0.017 0.000 1.004 778 N HN 0.381 nan 8.380 nan 0.000 0.499 779 G N 1.927 110.628 108.800 -0.166 0.000 2.672 779 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.218 779 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.218 779 G C 1.324 176.011 174.900 -0.356 0.000 1.238 779 G CA 0.787 45.698 45.100 -0.316 0.000 0.791 779 G HN 0.181 nan 8.290 nan 0.000 0.606 780 L N -0.266 120.824 121.223 -0.222 0.000 2.043 780 L HA -0.115 4.224 4.340 -0.003 0.000 0.212 780 L C 2.943 179.781 176.870 -0.053 0.000 1.075 780 L CA 0.649 55.424 54.840 -0.108 0.000 0.752 780 L CB -0.522 41.511 42.059 -0.044 0.000 0.891 780 L HN 0.167 nan 8.230 nan 0.000 0.432 781 L N -0.795 120.390 121.223 -0.065 0.000 2.012 781 L HA -0.253 4.086 4.340 -0.003 0.000 0.210 781 L C 2.643 179.491 176.870 -0.037 0.000 1.073 781 L CA 1.980 56.789 54.840 -0.051 0.000 0.748 781 L CB -0.731 41.301 42.059 -0.045 0.000 0.891 781 L HN 0.212 nan 8.230 nan 0.000 0.431 782 T N -1.665 112.860 114.554 -0.048 0.000 2.720 782 T HA -0.240 4.109 4.350 -0.003 0.000 0.268 782 T C 1.734 176.504 174.700 0.116 0.000 1.037 782 T CA 1.536 63.631 62.100 -0.010 0.000 1.144 782 T CB -0.407 68.424 68.868 -0.062 0.000 0.864 782 T HN 0.324 nan 8.240 nan 0.000 0.444 783 Y N 1.082 121.331 120.300 -0.085 0.000 2.114 783 Y HA -0.154 4.394 4.550 -0.003 0.000 0.284 783 Y C 2.901 178.742 175.900 -0.098 0.000 1.143 783 Y CA 0.723 58.770 58.100 -0.087 0.000 1.135 783 Y CB -0.077 38.334 38.460 -0.081 0.000 0.980 783 Y HN 0.016 nan 8.280 nan 0.000 0.499 784 K N 0.474 120.907 120.400 0.056 0.000 2.044 784 K HA -0.247 4.072 4.320 -0.003 0.000 0.210 784 K C 1.801 178.344 176.600 -0.095 0.000 1.049 784 K CA 1.582 57.815 56.287 -0.090 0.000 0.927 784 K CB -0.196 32.202 32.500 -0.170 0.000 0.713 784 K HN 0.356 nan 8.250 nan 0.000 0.443 785 Q N -0.391 119.384 119.800 -0.041 0.000 2.167 785 Q HA -0.055 4.283 4.340 -0.003 0.000 0.202 785 Q C 2.006 178.051 176.000 0.075 0.000 0.970 785 Q CA 1.251 57.062 55.803 0.015 0.000 0.855 785 Q CB -0.186 28.564 28.738 0.020 0.000 0.911 785 Q HN 0.390 nan 8.270 nan 0.000 0.438 786 A N 0.670 123.504 122.820 0.024 0.000 1.898 786 A HA -0.129 4.190 4.320 -0.003 0.000 0.216 786 A C 2.143 179.692 177.584 -0.059 0.000 1.181 786 A CA 0.949 52.971 52.037 -0.024 0.000 0.620 786 A CB -0.565 18.411 19.000 -0.039 0.000 0.819 786 A HN 0.297 nan 8.150 nan 0.000 0.442 787 I N 0.005 120.534 120.570 -0.068 0.000 2.226 787 I HA -0.236 3.933 4.170 -0.003 0.000 0.245 787 I C 1.767 177.854 176.117 -0.050 0.000 1.100 787 I CA 1.412 62.661 61.300 -0.086 0.000 1.374 787 I CB -0.409 37.530 38.000 -0.103 0.000 1.057 787 I HN 0.215 nan 8.210 nan 0.000 0.413 788 D N 1.058 121.451 120.400 -0.011 0.000 2.149 788 D HA -0.155 4.484 4.640 -0.003 0.000 0.198 788 D C 2.166 178.518 176.300 0.086 0.000 0.990 788 D CA 1.541 55.581 54.000 0.067 0.000 0.839 788 D CB -0.128 40.746 40.800 0.125 0.000 0.948 788 D HN 0.376 nan 8.370 nan 0.000 0.460 789 A N -0.556 122.268 122.820 0.007 0.000 2.167 789 A HA 0.356 4.675 4.320 -0.003 0.000 0.214 789 A C 1.730 179.220 177.584 -0.157 0.000 1.151 789 A CA 1.338 53.248 52.037 -0.213 0.000 0.735 789 A CB -0.015 18.790 19.000 -0.325 0.000 0.802 789 A HN 0.289 nan 8.150 nan 0.000 0.467 790 G N -1.718 107.020 108.800 -0.104 0.000 2.143 790 G HA2 -0.096 3.862 3.960 -0.003 0.000 0.175 790 G HA3 -0.096 3.862 3.960 -0.003 0.000 0.175 790 G C 0.218 175.048 174.900 -0.117 0.000 1.004 790 G CA -0.009 45.030 45.100 -0.102 0.000 0.671 790 G HN 0.976 nan 8.290 nan 0.000 0.512 791 V N 0.382 120.221 119.914 -0.126 0.000 2.788 791 V HA 0.255 4.373 4.120 -0.003 0.000 0.307 791 V C 1.475 177.470 176.094 -0.166 0.000 1.069 791 V CA 1.771 63.986 62.300 -0.143 0.000 1.173 791 V CB 0.781 32.511 31.823 -0.154 0.000 0.925 791 V HN 0.442 nan 8.190 nan 0.000 0.492 792 D N 4.399 124.687 120.400 -0.187 0.000 2.144 792 D HA 0.220 4.859 4.640 -0.003 0.000 0.207 792 D C 0.012 176.141 176.300 -0.284 0.000 0.970 792 D CA 1.053 54.914 54.000 -0.231 0.000 0.853 792 D CB 0.186 40.836 40.800 -0.251 0.000 1.007 792 D HN 0.545 nan 8.370 nan 0.000 0.469 793 I N 1.061 121.425 120.570 -0.343 0.000 2.582 793 I HA 0.374 4.542 4.170 -0.003 0.000 0.292 793 I C -0.854 175.104 176.117 -0.265 0.000 1.066 793 I CA -1.113 59.933 61.300 -0.423 0.000 1.053 793 I CB 2.439 39.865 38.000 -0.956 0.000 1.241 793 I HN -0.088 nan 8.210 nan 0.000 0.421 794 I N 0.054 120.483 120.570 -0.234 0.000 2.646 794 I HA 0.603 4.772 4.170 -0.003 0.000 0.299 794 I C -1.207 174.869 176.117 -0.067 0.000 1.036 794 I CA -0.775 60.346 61.300 -0.299 0.000 1.074 794 I CB 1.977 39.503 38.000 -0.790 0.000 1.258 794 I HN 0.284 nan 8.210 nan 0.000 0.430 795 D N 4.211 124.637 120.400 0.042 0.000 2.339 795 D HA 0.365 5.003 4.640 -0.003 0.000 0.241 795 D C 0.166 176.554 176.300 0.146 0.000 1.183 795 D CA 0.178 54.259 54.000 0.134 0.000 0.859 795 D CB 1.554 42.493 40.800 0.230 0.000 1.067 795 D HN 0.810 nan 8.370 nan 0.000 0.484 796 T N -1.068 113.534 114.554 0.080 0.000 2.905 796 T HA 0.905 5.253 4.350 -0.003 0.000 0.283 796 T C -0.359 174.332 174.700 -0.015 0.000 1.031 796 T CA -0.973 61.177 62.100 0.083 0.000 1.002 796 T CB 2.030 70.965 68.868 0.111 0.000 1.200 796 T HN 0.262 nan 8.240 nan 0.000 0.560 797 A N 0.311 123.120 122.820 -0.019 0.000 2.556 797 A HA 0.705 5.023 4.320 -0.003 0.000 0.294 797 A C -0.365 177.215 177.584 -0.006 0.000 1.091 797 A CA -0.866 51.137 52.037 -0.058 0.000 0.704 797 A CB 1.409 20.338 19.000 -0.117 0.000 1.300 797 A HN 0.901 nan 8.150 nan 0.000 0.406 798 V N 1.963 121.873 119.914 -0.007 0.000 2.720 798 V HA 0.165 4.283 4.120 -0.003 0.000 0.307 798 V C 1.938 178.041 176.094 0.014 0.000 1.071 798 V CA 1.101 63.424 62.300 0.038 0.000 1.199 798 V CB 0.678 32.540 31.823 0.065 0.000 0.900 798 V HN 1.424 nan 8.190 nan 0.000 0.494 799 A N 4.769 127.605 122.820 0.026 0.000 1.896 799 A HA -0.226 4.092 4.320 -0.003 0.000 0.220 799 A C 2.331 179.923 177.584 0.014 0.000 1.206 799 A CA 2.673 54.718 52.037 0.013 0.000 0.647 799 A CB -0.915 18.088 19.000 0.004 0.000 0.828 799 A HN 1.260 nan 8.150 nan 0.000 0.455 800 S N -1.975 113.747 115.700 0.036 0.000 2.507 800 S HA 0.040 4.508 4.470 -0.003 0.000 0.235 800 S C 1.186 175.818 174.600 0.053 0.000 0.988 800 S CA 1.280 59.517 58.200 0.061 0.000 0.944 800 S CB -0.126 63.141 63.200 0.113 0.000 0.762 800 S HN 0.360 nan 8.310 nan 0.000 0.526 801 M N 2.247 121.848 119.600 0.002 0.000 2.576 801 M HA 0.354 4.832 4.480 -0.003 0.000 0.322 801 M C 0.412 176.672 176.300 -0.067 0.000 1.184 801 M CA -0.134 55.130 55.300 -0.060 0.000 0.967 801 M CB -0.221 32.255 32.600 -0.207 0.000 1.372 801 M HN 0.512 nan 8.290 nan 0.000 0.509 802 S N -0.950 114.726 115.700 -0.040 0.000 2.786 802 S HA 0.936 5.405 4.470 -0.003 0.000 0.307 802 S C 0.443 175.016 174.600 -0.045 0.000 1.121 802 S CA -0.006 58.162 58.200 -0.053 0.000 0.975 802 S CB 1.984 65.158 63.200 -0.044 0.000 1.220 802 S HN 0.588 nan 8.310 nan 0.000 0.550 803 G N -0.452 108.310 108.800 -0.063 0.000 2.730 803 G HA2 0.073 4.031 3.960 -0.003 0.000 0.686 803 G HA3 0.073 4.031 3.960 -0.003 0.000 0.686 803 G C -0.123 174.748 174.900 -0.048 0.000 1.343 803 G CA -0.525 44.541 45.100 -0.056 0.000 0.826 803 G HN 1.722 nan 8.290 nan 0.000 0.582 804 L N -2.108 119.085 121.223 -0.050 0.000 6.593 804 L HA -0.363 3.975 4.340 -0.003 0.000 0.053 804 L C 2.726 179.581 176.870 -0.025 0.000 1.816 804 L CA 2.967 57.782 54.840 -0.041 0.000 1.701 804 L CB -1.767 40.276 42.059 -0.025 0.000 2.696 804 L HN 2.031 nan 8.230 nan 0.000 1.037 805 T N -2.480 112.076 114.554 0.002 0.000 3.139 805 T HA 0.010 4.359 4.350 -0.003 0.000 0.267 805 T C 0.829 175.619 174.700 0.150 0.000 1.164 805 T CA 1.110 63.246 62.100 0.059 0.000 1.075 805 T CB -0.033 68.857 68.868 0.037 0.000 0.904 805 T HN 0.487 nan 8.240 nan 0.000 0.540 806 S N 0.462 116.177 115.700 0.026 0.000 2.623 806 S HA 0.386 4.854 4.470 -0.003 0.000 0.278 806 S C 0.159 174.639 174.600 -0.200 0.000 1.148 806 S CA -0.956 57.209 58.200 -0.058 0.000 1.028 806 S CB 0.660 63.818 63.200 -0.069 0.000 1.145 806 S HN 0.524 nan 8.310 nan 0.000 0.523 807 Q N 0.438 120.080 119.800 -0.264 0.000 2.249 807 Q HA 0.439 4.778 4.340 -0.003 0.000 0.226 807 Q C -2.544 173.328 176.000 -0.214 0.000 0.983 807 Q CA -2.310 53.303 55.803 -0.316 0.000 0.930 807 Q CB -1.082 27.491 28.738 -0.275 0.000 1.193 807 Q HN 0.376 nan 8.270 nan 0.000 0.508 808 P HA -0.056 nan 4.420 nan 0.000 0.267 808 P C -0.243 177.025 177.300 -0.054 0.000 1.200 808 P CA 0.172 63.161 63.100 -0.185 0.000 0.772 808 P CB 0.432 31.938 31.700 -0.322 0.000 0.855 809 S N 2.336 118.021 115.700 -0.025 0.000 2.481 809 S HA 0.206 4.674 4.470 -0.003 0.000 0.282 809 S C 1.527 176.168 174.600 0.068 0.000 1.243 809 S CA 0.049 58.261 58.200 0.019 0.000 1.078 809 S CB -0.462 62.751 63.200 0.021 0.000 0.916 809 S HN 0.442 nan 8.310 nan 0.000 0.495 810 A N 6.053 128.924 122.820 0.084 0.000 1.883 810 A HA -0.155 4.163 4.320 -0.003 0.000 0.217 810 A C 2.111 179.770 177.584 0.125 0.000 1.186 810 A CA 1.791 53.898 52.037 0.117 0.000 0.624 810 A CB -0.870 18.215 19.000 0.142 0.000 0.822 810 A HN 0.964 nan 8.150 nan 0.000 0.444 811 N N 0.248 119.010 118.700 0.102 0.000 2.061 811 N HA -0.151 4.588 4.740 -0.003 0.000 0.193 811 N C 1.954 177.603 175.510 0.231 0.000 1.030 811 N CA 1.778 54.904 53.050 0.126 0.000 0.856 811 N CB -0.286 38.253 38.487 0.087 0.000 1.023 811 N HN 0.466 nan 8.380 nan 0.000 0.424 812 S N 1.220 117.022 115.700 0.170 0.000 2.368 812 S HA -0.060 4.408 4.470 -0.003 0.000 0.224 812 S C 1.979 176.693 174.600 0.190 0.000 1.029 812 S CA 0.461 58.767 58.200 0.178 0.000 0.988 812 S CB -0.245 63.011 63.200 0.094 0.000 0.838 812 S HN 0.177 nan 8.310 nan 0.000 0.462 813 L N 0.860 122.171 121.223 0.147 0.000 2.056 813 L HA -0.023 4.315 4.340 -0.003 0.000 0.207 813 L C 1.957 178.874 176.870 0.078 0.000 1.078 813 L CA 1.654 56.560 54.840 0.110 0.000 0.749 813 L CB -1.007 41.118 42.059 0.110 0.000 0.901 813 L HN 0.339 nan 8.230 nan 0.000 0.433 814 Y N -0.830 119.437 120.300 -0.055 0.000 2.096 814 Y HA -0.410 4.138 4.550 -0.003 0.000 0.278 814 Y C 2.190 177.941 175.900 -0.247 0.000 1.192 814 Y CA 2.552 60.515 58.100 -0.227 0.000 1.143 814 Y CB -0.470 37.794 38.460 -0.326 0.000 0.963 814 Y HN 0.315 nan 8.280 nan 0.000 0.505 815 Y N -1.280 119.127 120.300 0.178 0.000 2.365 815 Y HA 0.038 4.587 4.550 -0.002 0.000 0.293 815 Y C 2.520 178.460 175.900 0.066 0.000 1.119 815 Y CA 0.543 58.714 58.100 0.117 0.000 1.203 815 Y CB -0.685 37.867 38.460 0.154 0.000 1.026 815 Y HN 0.196 nan 8.280 nan 0.000 0.549 816 A N 0.375 123.328 122.820 0.221 0.000 1.948 816 A HA -0.199 4.119 4.320 -0.003 0.000 0.220 816 A C 2.009 179.724 177.584 0.218 0.000 1.177 816 A CA 1.687 53.830 52.037 0.176 0.000 0.636 816 A CB -1.041 18.025 19.000 0.110 0.000 0.815 816 A HN 0.515 nan 8.150 nan 0.000 0.449 817 L N -0.269 121.029 121.223 0.125 0.000 2.478 817 L HA -0.021 4.317 4.340 -0.003 0.000 0.223 817 L C 0.339 177.343 176.870 0.223 0.000 1.140 817 L CA -0.260 54.693 54.840 0.189 0.000 0.842 817 L CB -0.699 41.342 42.059 -0.029 0.000 0.953 817 L HN 0.381 nan 8.230 nan 0.000 0.452 818 N N 0.945 119.700 118.700 0.092 0.000 2.292 818 N HA -0.009 4.729 4.740 -0.003 0.000 0.258 818 N C 1.192 176.672 175.510 -0.050 0.000 1.261 818 N CA 0.678 53.748 53.050 0.034 0.000 0.845 818 N CB 0.324 38.856 38.487 0.074 0.000 1.064 818 N HN 0.332 nan 8.380 nan 0.000 0.471 819 G N 1.407 110.142 108.800 -0.108 0.000 2.199 819 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.254 819 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.254 819 G C -0.071 174.605 174.900 -0.374 0.000 0.982 819 G CA -0.168 44.772 45.100 -0.266 0.000 0.632 819 G HN 0.507 nan 8.290 nan 0.000 0.529 820 F N 0.261 120.202 119.950 -0.015 0.000 2.450 820 F HA 0.554 5.079 4.527 -0.003 0.000 0.328 820 F C -0.537 175.254 175.800 -0.016 0.000 1.068 820 F CA -1.833 56.157 58.000 -0.017 0.000 1.007 820 F CB 1.101 40.088 39.000 -0.022 0.000 1.251 820 F HN -0.195 nan 8.300 nan 0.000 0.492 821 P HA -0.043 nan 4.420 nan 0.000 0.225 821 P C -0.547 176.795 177.300 0.070 0.000 1.148 821 P CA 1.194 64.356 63.100 0.103 0.000 0.779 821 P CB 0.251 32.006 31.700 0.092 0.000 0.780 822 R N -0.878 119.670 120.500 0.079 0.000 2.575 822 R HA 0.380 4.718 4.340 -0.003 0.000 0.293 822 R C -0.917 175.407 176.300 0.040 0.000 0.983 822 R CA -0.717 55.407 56.100 0.040 0.000 0.887 822 R CB 1.625 31.923 30.300 -0.004 0.000 1.184 822 R HN 0.133 nan 8.270 nan 0.000 0.445 823 H N 1.361 120.385 119.070 -0.076 0.000 2.479 823 H HA 0.321 4.876 4.556 -0.003 0.000 0.335 823 H C -0.844 174.413 175.328 -0.119 0.000 1.142 823 H CA -0.709 55.261 56.048 -0.131 0.000 1.234 823 H CB 1.235 30.920 29.762 -0.128 0.000 1.503 823 H HN 0.303 nan 8.280 nan 0.000 0.510 824 L N 4.611 125.532 121.223 -0.503 0.000 2.315 824 L HA 0.238 4.576 4.340 -0.003 0.000 0.283 824 L C 0.148 176.980 176.870 -0.064 0.000 1.089 824 L CA 0.098 54.795 54.840 -0.238 0.000 0.833 824 L CB 0.208 42.149 42.059 -0.196 0.000 1.170 824 L HN 0.654 nan 8.230 nan 0.000 0.442 825 R N 3.926 124.490 120.500 0.106 0.000 2.351 825 R HA 0.322 4.660 4.340 -0.003 0.000 0.321 825 R C -0.458 175.952 176.300 0.184 0.000 1.182 825 R CA 0.448 56.666 56.100 0.197 0.000 1.011 825 R CB -0.072 30.317 30.300 0.149 0.000 1.048 825 R HN 0.857 nan 8.270 nan 0.000 0.490 826 T N 1.005 115.688 114.554 0.216 0.000 2.654 826 T HA 0.040 4.389 4.350 -0.003 0.000 0.303 826 T C -2.063 172.679 174.700 0.070 0.000 1.656 826 T CA -0.786 61.396 62.100 0.137 0.000 0.971 826 T CB 1.318 70.269 68.868 0.138 0.000 1.811 826 T HN 0.491 nan 8.240 nan 0.000 0.483 827 D N 1.411 121.756 120.400 -0.093 0.000 2.462 827 D HA 0.346 4.984 4.640 -0.003 0.000 0.249 827 D C 1.540 177.663 176.300 -0.295 0.000 1.117 827 D CA -0.760 53.141 54.000 -0.166 0.000 0.900 827 D CB 0.052 40.761 40.800 -0.153 0.000 1.039 827 D HN 0.491 nan 8.370 nan 0.000 0.516 828 I N 1.660 121.921 120.570 -0.516 0.000 2.208 828 I HA -0.149 4.019 4.170 -0.003 0.000 0.245 828 I C 2.100 178.065 176.117 -0.253 0.000 1.097 828 I CA 1.138 62.112 61.300 -0.543 0.000 1.363 828 I CB -0.591 36.877 38.000 -0.887 0.000 1.051 828 I HN 0.379 nan 8.210 nan 0.000 0.413 829 E N 1.292 121.383 120.200 -0.182 0.000 2.085 829 E HA -0.186 4.162 4.350 -0.003 0.000 0.194 829 E C 2.429 178.983 176.600 -0.076 0.000 0.994 829 E CA 1.357 57.710 56.400 -0.079 0.000 0.801 829 E CB -0.446 29.226 29.700 -0.047 0.000 0.743 829 E HN 0.617 nan 8.360 nan 0.000 0.453 830 G N 0.579 109.305 108.800 -0.123 0.000 2.422 830 G HA2 -0.283 3.676 3.960 -0.003 0.000 0.218 830 G HA3 -0.283 3.676 3.960 -0.003 0.000 0.218 830 G C 1.482 176.285 174.900 -0.162 0.000 1.146 830 G CA 0.885 45.900 45.100 -0.142 0.000 0.769 830 G HN 0.215 nan 8.290 nan 0.000 0.547 831 M N 0.158 119.641 119.600 -0.194 0.000 2.200 831 M HA 0.080 4.559 4.480 -0.003 0.000 0.265 831 M C 2.389 178.645 176.300 -0.073 0.000 1.066 831 M CA 0.990 56.196 55.300 -0.156 0.000 1.127 831 M CB 0.019 32.526 32.600 -0.155 0.000 1.379 831 M HN 0.064 nan 8.290 nan 0.000 0.420 832 E N -0.742 119.418 120.200 -0.067 0.000 2.077 832 E HA -0.186 4.163 4.350 -0.003 0.000 0.193 832 E C 2.159 178.748 176.600 -0.020 0.000 0.989 832 E CA 1.607 57.969 56.400 -0.062 0.000 0.800 832 E CB -0.813 28.895 29.700 0.012 0.000 0.746 832 E HN 0.513 nan 8.360 nan 0.000 0.452 833 S N 0.404 116.142 115.700 0.062 0.000 2.368 833 S HA -0.070 4.399 4.470 -0.003 0.000 0.224 833 S C 2.135 176.811 174.600 0.127 0.000 1.029 833 S CA 0.602 58.886 58.200 0.140 0.000 0.988 833 S CB -0.156 63.084 63.200 0.067 0.000 0.838 833 S HN 0.153 nan 8.310 nan 0.000 0.462 834 L N 0.785 122.052 121.223 0.073 0.000 2.046 834 L HA -0.065 4.273 4.340 -0.003 0.000 0.208 834 L C 2.896 179.934 176.870 0.281 0.000 1.077 834 L CA 1.387 56.324 54.840 0.162 0.000 0.747 834 L CB -0.813 41.348 42.059 0.171 0.000 0.896 834 L HN 0.350 nan 8.230 nan 0.000 0.432 835 S N -1.126 114.661 115.700 0.144 0.000 2.365 835 S HA -0.233 4.236 4.470 -0.003 0.000 0.225 835 S C 2.013 176.662 174.600 0.081 0.000 1.039 835 S CA 1.254 59.510 58.200 0.093 0.000 1.033 835 S CB -0.299 62.847 63.200 -0.089 0.000 0.887 835 S HN 0.443 nan 8.310 nan 0.000 0.447 836 H N -1.037 118.116 119.070 0.138 0.000 2.352 836 H HA -0.118 4.437 4.556 -0.003 0.000 0.299 836 H C 1.972 177.351 175.328 0.087 0.000 1.097 836 H CA 1.833 57.938 56.048 0.096 0.000 1.311 836 H CB -0.937 28.866 29.762 0.069 0.000 1.377 836 H HN 0.651 nan 8.280 nan 0.000 0.504 837 Y N 0.309 120.657 120.300 0.079 0.000 2.097 837 Y HA -0.285 4.263 4.550 -0.003 0.000 0.282 837 Y C 2.268 178.068 175.900 -0.167 0.000 1.152 837 Y CA 1.706 59.745 58.100 -0.103 0.000 1.136 837 Y CB -0.759 37.568 38.460 -0.222 0.000 0.975 837 Y HN 0.064 nan 8.280 nan 0.000 0.498 838 W N -0.040 121.352 121.300 0.154 0.000 2.374 838 W HA -0.185 4.474 4.660 -0.003 0.000 0.288 838 W C 3.094 179.572 176.519 -0.069 0.000 1.218 838 W CA 1.616 58.975 57.345 0.024 0.000 1.245 838 W CB -0.771 28.765 29.460 0.127 0.000 1.126 838 W HN 0.153 nan 8.180 nan 0.000 0.545 839 S N -0.360 115.440 115.700 0.166 0.000 2.387 839 S HA -0.210 4.258 4.470 -0.003 0.000 0.230 839 S C 1.729 176.320 174.600 -0.015 0.000 1.035 839 S CA 2.232 60.485 58.200 0.089 0.000 1.014 839 S CB -0.536 62.725 63.200 0.102 0.000 0.836 839 S HN 0.221 nan 8.310 nan 0.000 0.466 840 T N 1.191 115.664 114.554 -0.135 0.000 2.809 840 T HA 0.064 4.412 4.350 -0.003 0.000 0.260 840 T C 1.874 176.230 174.700 -0.574 0.000 1.039 840 T CA 1.186 63.132 62.100 -0.256 0.000 1.141 840 T CB -0.455 68.263 68.868 -0.250 0.000 0.869 840 T HN 0.260 nan 8.240 nan 0.000 0.437 841 V N 1.756 121.239 119.914 -0.719 0.000 2.332 841 V HA -0.184 3.934 4.120 -0.003 0.000 0.248 841 V C 2.636 178.530 176.094 -0.333 0.000 1.055 841 V CA 1.736 63.492 62.300 -0.906 0.000 1.038 841 V CB -0.621 30.780 31.823 -0.702 0.000 0.651 841 V HN 0.359 nan 8.190 nan 0.000 0.450 842 R N -0.266 120.247 120.500 0.021 0.000 2.117 842 R HA -0.207 4.132 4.340 -0.003 0.000 0.243 842 R C 2.281 178.712 176.300 0.218 0.000 1.143 842 R CA 2.078 58.322 56.100 0.239 0.000 0.968 842 R CB -0.491 29.917 30.300 0.180 0.000 0.863 842 R HN 0.486 nan 8.270 nan 0.000 0.444 843 T N 0.013 114.581 114.554 0.024 0.000 2.849 843 T HA -0.142 4.206 4.350 -0.003 0.000 0.270 843 T C 1.004 175.822 174.700 0.196 0.000 1.066 843 T CA 1.206 63.369 62.100 0.106 0.000 1.130 843 T CB -0.237 68.682 68.868 0.084 0.000 0.864 843 T HN 0.456 nan 8.240 nan 0.000 0.481 844 Y N -1.154 119.073 120.300 -0.122 0.000 2.616 844 Y HA -0.015 4.533 4.550 -0.003 0.000 0.296 844 Y C 0.894 176.677 175.900 -0.196 0.000 1.154 844 Y CA 0.054 57.923 58.100 -0.384 0.000 1.325 844 Y CB -0.074 38.031 38.460 -0.592 0.000 1.007 844 Y HN 0.316 nan 8.280 nan 0.000 0.542 845 Y N -1.389 119.107 120.300 0.326 0.000 2.682 845 Y HA 0.061 4.610 4.550 -0.003 0.000 0.251 845 Y C 1.984 177.991 175.900 0.180 0.000 1.172 845 Y CA -0.281 58.029 58.100 0.350 0.000 1.186 845 Y CB 0.188 38.894 38.460 0.411 0.000 1.216 845 Y HN 0.045 nan 8.280 nan 0.000 0.540 846 S N -1.329 114.497 115.700 0.210 0.000 2.419 846 S HA -0.222 4.247 4.470 -0.003 0.000 0.235 846 S C 1.089 175.671 174.600 -0.030 0.000 1.019 846 S CA 1.787 60.056 58.200 0.116 0.000 0.982 846 S CB -0.289 62.986 63.200 0.124 0.000 0.789 846 S HN 0.427 nan 8.310 nan 0.000 0.490 847 D N 0.402 120.651 120.400 -0.252 0.000 2.371 847 D HA 0.103 4.741 4.640 -0.003 0.000 0.221 847 D C 0.539 176.497 176.300 -0.569 0.000 0.986 847 D CA 0.749 54.453 54.000 -0.494 0.000 0.899 847 D CB -0.230 40.093 40.800 -0.794 0.000 0.902 847 D HN 0.620 nan 8.370 nan 0.000 0.530 848 F N 0.140 120.112 119.950 0.036 0.000 2.706 848 F HA 0.201 4.727 4.527 -0.002 0.000 0.313 848 F C 1.224 177.055 175.800 0.051 0.000 1.096 848 F CA -0.588 57.436 58.000 0.039 0.000 1.219 848 F CB 0.438 39.486 39.000 0.080 0.000 1.051 848 F HN -0.259 nan 8.300 nan 0.000 0.568 853 D N 1.361 121.774 120.400 0.023 0.000 2.277 853 D HA 0.034 4.672 4.640 -0.003 0.000 0.208 853 D C 0.880 177.193 176.300 0.022 0.000 0.962 853 D CA 0.311 54.318 54.000 0.013 0.000 0.865 853 D CB -0.363 40.432 40.800 -0.009 0.000 0.939 853 D HN 0.594 nan 8.370 nan 0.000 0.510 854 I N 1.953 122.543 120.570 0.033 0.000 2.671 854 I HA -0.094 4.074 4.170 -0.003 0.000 0.285 854 I C 1.421 177.548 176.117 0.016 0.000 1.148 854 I CA 0.372 61.689 61.300 0.029 0.000 1.386 854 I CB 0.428 38.446 38.000 0.029 0.000 1.406 854 I HN 0.019 nan 8.210 nan 0.000 0.540 855 K N 3.612 124.018 120.400 0.010 0.000 2.413 855 K HA 0.301 4.619 4.320 -0.003 0.000 0.204 855 K C -0.260 176.338 176.600 -0.004 0.000 1.041 855 K CA -0.402 55.889 56.287 0.006 0.000 1.082 855 K CB 0.499 33.005 32.500 0.009 0.000 0.871 855 K HN 0.483 nan 8.250 nan 0.000 0.535 856 S N -0.011 115.681 115.700 -0.013 0.000 2.596 856 S HA 0.543 5.011 4.470 -0.003 0.000 0.270 856 S C -3.066 171.506 174.600 -0.046 0.000 1.155 856 S CA -1.524 56.661 58.200 -0.024 0.000 0.827 856 S CB 1.161 64.350 63.200 -0.018 0.000 1.130 856 S HN -0.085 nan 8.310 nan 0.000 0.467 857 P HA 0.339 nan 4.420 nan 0.000 0.272 857 P C -1.039 176.198 177.300 -0.105 0.000 1.223 857 P CA -0.410 62.642 63.100 -0.081 0.000 0.784 857 P CB 0.300 31.960 31.700 -0.068 0.000 0.923 858 N N 0.346 118.950 118.700 -0.160 0.000 2.540 858 N HA 0.115 4.853 4.740 -0.003 0.000 0.275 858 N C 0.244 175.594 175.510 -0.265 0.000 1.053 858 N CA -0.283 52.647 53.050 -0.200 0.000 0.876 858 N CB 1.031 39.350 38.487 -0.280 0.000 1.284 858 N HN 0.292 nan 8.380 nan 0.000 0.518 859 T N -0.091 114.344 114.554 -0.198 0.000 3.148 859 T HA 0.055 4.403 4.350 -0.003 0.000 0.253 859 T C 1.028 175.582 174.700 -0.244 0.000 1.134 859 T CA 0.528 62.487 62.100 -0.236 0.000 1.051 859 T CB 0.029 68.901 68.868 0.007 0.000 0.959 859 T HN 0.534 nan 8.240 nan 0.000 0.525 860 E N 1.225 121.293 120.200 -0.219 0.000 2.338 860 E HA -0.004 4.344 4.350 -0.003 0.000 0.197 860 E C 2.034 178.283 176.600 -0.585 0.000 1.007 860 E CA 0.864 57.139 56.400 -0.208 0.000 0.849 860 E CB -0.527 29.159 29.700 -0.025 0.000 0.774 860 E HN 0.822 nan 8.360 nan 0.000 0.506 861 I N -1.772 118.365 120.570 -0.722 0.000 2.502 861 I HA -0.317 3.852 4.170 -0.003 0.000 0.258 861 I C 1.628 177.415 176.117 -0.549 0.000 1.172 861 I CA 1.503 62.296 61.300 -0.845 0.000 1.430 861 I CB -0.607 37.067 38.000 -0.544 0.000 1.086 861 I HN 0.061 nan 8.210 nan 0.000 0.440 862 Y N 0.673 120.816 120.300 -0.262 0.000 2.509 862 Y HA -0.087 4.462 4.550 -0.003 0.000 0.293 862 Y C 2.539 178.376 175.900 -0.105 0.000 1.133 862 Y CA 0.306 58.326 58.100 -0.133 0.000 1.283 862 Y CB -0.148 38.268 38.460 -0.074 0.000 1.001 862 Y HN 0.242 nan 8.280 nan 0.000 0.555 863 Q N -1.011 118.769 119.800 -0.034 0.000 2.107 863 Q HA -0.087 4.251 4.340 -0.003 0.000 0.195 863 Q C 2.066 178.104 176.000 0.063 0.000 0.964 863 Q CA 1.494 57.316 55.803 0.033 0.000 0.833 863 Q CB -0.287 28.481 28.738 0.050 0.000 0.910 863 Q HN 0.653 nan 8.270 nan 0.000 0.465 864 H N -0.751 118.364 119.070 0.076 0.000 2.562 864 H HA 0.251 4.805 4.556 -0.003 0.000 0.267 864 H C -0.234 175.149 175.328 0.093 0.000 0.959 864 H CA 0.871 56.975 56.048 0.093 0.000 1.204 864 H CB 0.254 30.018 29.762 0.003 0.000 1.430 864 H HN 0.240 nan 8.280 nan 0.000 0.545 865 E N 0.482 120.676 120.200 -0.009 0.000 2.883 865 E HA -0.189 4.160 4.350 -0.003 0.000 0.271 865 E C -0.558 176.113 176.600 0.118 0.000 1.049 865 E CA 0.431 56.858 56.400 0.045 0.000 0.817 865 E CB -1.488 28.245 29.700 0.054 0.000 1.407 865 E HN 0.577 nan 8.360 nan 0.000 0.434 866 M N 1.819 121.525 119.600 0.177 0.000 2.268 866 M HA 0.142 4.620 4.480 -0.003 0.000 0.349 866 M C -1.869 174.438 176.300 0.011 0.000 1.485 866 M CA -1.105 54.194 55.300 -0.002 0.000 1.094 866 M CB -0.021 32.465 32.600 -0.189 0.000 1.843 866 M HN -0.146 nan 8.290 nan 0.000 0.460 867 P HA 0.139 nan 4.420 nan 0.000 0.274 867 P C 0.662 177.896 177.300 -0.111 0.000 1.231 867 P CA 0.124 63.188 63.100 -0.060 0.000 0.790 867 P CB 0.690 32.374 31.700 -0.026 0.000 0.951 868 G N 2.842 111.484 108.800 -0.264 0.000 2.738 868 G HA2 -0.407 3.551 3.960 -0.003 0.000 0.391 868 G HA3 -0.407 3.551 3.960 -0.003 0.000 0.391 868 G C 1.332 176.170 174.900 -0.103 0.000 1.049 868 G CA 1.335 46.252 45.100 -0.305 0.000 0.855 868 G HN 0.679 nan 8.290 nan 0.000 0.757 869 G N -1.477 107.292 108.800 -0.052 0.000 2.511 869 G HA2 -0.160 3.799 3.960 -0.003 0.000 0.216 869 G HA3 -0.160 3.799 3.960 -0.003 0.000 0.216 869 G C 1.614 176.532 174.900 0.030 0.000 1.218 869 G CA 1.845 46.947 45.100 0.003 0.000 0.788 869 G HN 0.856 nan 8.290 nan 0.000 0.560 870 Q N -0.860 118.953 119.800 0.022 0.000 2.346 870 Q HA -0.425 3.913 4.340 -0.003 0.000 0.224 870 Q C 2.016 178.034 176.000 0.029 0.000 1.092 870 Q CA 2.741 58.559 55.803 0.025 0.000 0.982 870 Q CB -0.760 27.985 28.738 0.012 0.000 1.085 870 Q HN 0.609 nan 8.270 nan 0.000 0.492 871 Y N 0.759 121.017 120.300 -0.070 0.000 2.062 871 Y HA -0.342 4.206 4.550 -0.003 0.000 0.276 871 Y C 2.775 178.649 175.900 -0.044 0.000 1.189 871 Y CA 2.764 60.831 58.100 -0.054 0.000 1.130 871 Y CB -0.643 37.791 38.460 -0.043 0.000 0.959 871 Y HN 0.377 nan 8.280 nan 0.000 0.499 872 S N -0.402 115.295 115.700 -0.006 0.000 2.377 872 S HA -0.177 4.291 4.470 -0.003 0.000 0.223 872 S C 1.856 176.370 174.600 -0.143 0.000 1.030 872 S CA 0.960 59.083 58.200 -0.128 0.000 0.970 872 S CB -0.837 62.356 63.200 -0.011 0.000 0.830 872 S HN 0.636 nan 8.310 nan 0.000 0.473 873 N N 1.528 120.194 118.700 -0.056 0.000 2.036 873 N HA -0.175 4.563 4.740 -0.003 0.000 0.199 873 N C 1.657 177.141 175.510 -0.044 0.000 1.036 873 N CA 1.884 54.915 53.050 -0.031 0.000 0.870 873 N CB -0.566 37.927 38.487 0.009 0.000 1.055 873 N HN 0.332 nan 8.380 nan 0.000 0.436 874 L N 1.467 122.670 121.223 -0.034 0.000 2.275 874 L HA -0.021 4.317 4.340 -0.003 0.000 0.215 874 L C 2.230 179.143 176.870 0.071 0.000 1.119 874 L CA 1.146 56.014 54.840 0.047 0.000 0.790 874 L CB -0.257 41.851 42.059 0.083 0.000 0.919 874 L HN 0.026 nan 8.230 nan 0.000 0.443 875 S N -1.033 114.501 115.700 -0.276 0.000 2.371 875 S HA -0.183 4.285 4.470 -0.003 0.000 0.224 875 S C 1.795 176.216 174.600 -0.298 0.000 1.029 875 S CA 1.131 58.916 58.200 -0.692 0.000 0.978 875 S CB -0.142 62.383 63.200 -1.126 0.000 0.833 875 S HN 0.528 nan 8.310 nan 0.000 0.466 876 Q N 1.309 120.995 119.800 -0.191 0.000 2.030 876 Q HA -0.159 4.180 4.340 -0.003 0.000 0.204 876 Q C 2.403 178.379 176.000 -0.040 0.000 0.986 876 Q CA 1.441 57.184 55.803 -0.099 0.000 0.843 876 Q CB -0.270 28.429 28.738 -0.065 0.000 0.904 876 Q HN 0.532 nan 8.270 nan 0.000 0.420 877 Q N -0.196 119.600 119.800 -0.007 0.000 2.133 877 Q HA -0.253 4.085 4.340 -0.003 0.000 0.208 877 Q C 2.116 178.143 176.000 0.044 0.000 0.991 877 Q CA 1.486 57.308 55.803 0.032 0.000 0.867 877 Q CB -0.263 28.510 28.738 0.058 0.000 0.911 877 Q HN 0.457 nan 8.270 nan 0.000 0.417 878 A N 0.850 123.707 122.820 0.061 0.000 1.898 878 A HA -0.189 4.129 4.320 -0.003 0.000 0.216 878 A C 1.914 179.523 177.584 0.042 0.000 1.181 878 A CA 1.459 53.553 52.037 0.094 0.000 0.620 878 A CB -0.249 18.897 19.000 0.243 0.000 0.819 878 A HN 0.171 nan 8.150 nan 0.000 0.442 879 K N -0.443 119.953 120.400 -0.007 0.000 2.026 879 K HA -0.050 4.269 4.320 -0.003 0.000 0.208 879 K C 1.900 178.497 176.600 -0.005 0.000 1.048 879 K CA 1.355 57.630 56.287 -0.020 0.000 0.929 879 K CB -0.220 32.247 32.500 -0.056 0.000 0.713 879 K HN 0.327 nan 8.250 nan 0.000 0.439 880 S N 0.157 115.857 115.700 -0.001 0.000 2.803 880 S HA 0.099 4.567 4.470 -0.003 0.000 0.226 880 S C 0.671 175.282 174.600 0.019 0.000 0.962 880 S CA 0.389 58.594 58.200 0.008 0.000 0.968 880 S CB -0.062 63.145 63.200 0.011 0.000 0.786 880 S HN 0.187 nan 8.310 nan 0.000 0.527 881 L N -0.447 120.788 121.223 0.021 0.000 3.635 881 L HA 0.293 4.631 4.340 -0.003 0.000 0.338 881 L C 0.902 177.783 176.870 0.018 0.000 1.275 881 L CA 0.071 54.925 54.840 0.025 0.000 1.092 881 L CB 0.464 42.545 42.059 0.037 0.000 1.465 881 L HN 0.296 nan 8.230 nan 0.000 0.625 882 G N 1.224 110.033 108.800 0.014 0.000 2.338 882 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.296 882 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.296 882 G C 0.281 175.190 174.900 0.016 0.000 1.040 882 G CA 0.822 45.929 45.100 0.011 0.000 1.004 882 G HN 0.385 nan 8.290 nan 0.000 0.509 883 L N -1.373 119.867 121.223 0.029 0.000 3.327 883 L HA 0.306 4.644 4.340 -0.003 0.000 0.299 883 L C 2.412 179.324 176.870 0.070 0.000 1.201 883 L CA 0.317 55.183 54.840 0.042 0.000 1.059 883 L CB 0.067 42.154 42.059 0.046 0.000 1.488 883 L HN 0.249 nan 8.230 nan 0.000 0.609 884 G N 0.108 108.938 108.800 0.050 0.000 2.615 884 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.213 884 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.213 884 G C 1.272 176.190 174.900 0.029 0.000 1.135 884 G CA 0.599 45.716 45.100 0.029 0.000 0.772 884 G HN 0.203 nan 8.290 nan 0.000 0.542 885 E N 0.670 120.895 120.200 0.041 0.000 2.057 885 E HA -0.024 4.324 4.350 -0.003 0.000 0.190 885 E C 2.127 178.772 176.600 0.074 0.000 0.969 885 E CA 0.393 56.818 56.400 0.042 0.000 0.812 885 E CB -0.131 29.585 29.700 0.026 0.000 0.777 885 E HN 0.587 nan 8.360 nan 0.000 0.455 886 R N 0.690 121.234 120.500 0.072 0.000 3.732 886 R HA 0.151 4.490 4.340 -0.003 0.000 0.258 886 R C 1.080 177.434 176.300 0.091 0.000 1.661 886 R CA -0.197 55.943 56.100 0.067 0.000 1.424 886 R CB -0.939 29.380 30.300 0.032 0.000 1.308 886 R HN -0.031 nan 8.270 nan 0.000 0.634 887 F N 1.665 121.597 119.950 -0.031 0.000 2.494 887 F HA -0.122 4.404 4.527 -0.002 0.000 0.298 887 F C 1.174 176.957 175.800 -0.028 0.000 1.106 887 F CA 1.186 59.154 58.000 -0.053 0.000 1.452 887 F CB 0.100 39.043 39.000 -0.094 0.000 1.085 887 F HN 0.131 nan 8.300 nan 0.000 0.569 888 D N 0.520 120.949 120.400 0.049 0.000 2.092 888 D HA -0.193 4.446 4.640 -0.003 0.000 0.193 888 D C 2.059 178.318 176.300 -0.068 0.000 0.994 888 D CA 1.669 55.672 54.000 0.004 0.000 0.828 888 D CB -0.207 40.620 40.800 0.044 0.000 0.963 888 D HN 0.425 nan 8.370 nan 0.000 0.450 889 E N -0.316 119.850 120.200 -0.058 0.000 2.274 889 E HA -0.064 4.285 4.350 -0.003 0.000 0.194 889 E C 2.156 178.692 176.600 -0.107 0.000 0.996 889 E CA 0.083 56.449 56.400 -0.058 0.000 0.840 889 E CB 0.326 30.009 29.700 -0.029 0.000 0.772 889 E HN 0.071 nan 8.360 nan 0.000 0.491 890 V N 1.429 121.217 119.914 -0.210 0.000 2.307 890 V HA -0.263 3.855 4.120 -0.003 0.000 0.245 890 V C 2.112 178.007 176.094 -0.333 0.000 1.045 890 V CA 1.670 63.790 62.300 -0.300 0.000 1.024 890 V CB -0.318 31.201 31.823 -0.506 0.000 0.651 890 V HN 0.178 nan 8.190 nan 0.000 0.449 891 K N -0.217 119.891 120.400 -0.487 0.000 2.103 891 K HA -0.262 4.056 4.320 -0.003 0.000 0.207 891 K C 1.945 178.520 176.600 -0.042 0.000 1.048 891 K CA 2.002 58.101 56.287 -0.313 0.000 0.930 891 K CB -0.279 32.089 32.500 -0.221 0.000 0.716 891 K HN 0.496 nan 8.250 nan 0.000 0.444 892 D N 0.268 120.650 120.400 -0.031 0.000 2.162 892 D HA -0.120 4.518 4.640 -0.003 0.000 0.203 892 D C 1.846 178.173 176.300 0.044 0.000 0.967 892 D CA 0.746 54.767 54.000 0.034 0.000 0.840 892 D CB 0.138 40.949 40.800 0.019 0.000 0.972 892 D HN -0.069 nan 8.370 nan 0.000 0.482 893 M N -0.748 118.855 119.600 0.005 0.000 2.175 893 M HA -0.068 4.411 4.480 -0.003 0.000 0.264 893 M C 1.668 177.969 176.300 0.002 0.000 1.063 893 M CA 1.235 56.535 55.300 -0.000 0.000 1.119 893 M CB -0.781 31.806 32.600 -0.021 0.000 1.377 893 M HN 0.192 nan 8.290 nan 0.000 0.415 894 Y N 0.162 120.402 120.300 -0.100 0.000 2.097 894 Y HA -0.298 4.251 4.550 -0.003 0.000 0.282 894 Y C 2.594 178.458 175.900 -0.060 0.000 1.152 894 Y CA 2.178 60.217 58.100 -0.102 0.000 1.136 894 Y CB -0.296 38.097 38.460 -0.111 0.000 0.975 894 Y HN 0.133 nan 8.280 nan 0.000 0.498 895 R N 0.618 121.266 120.500 0.247 0.000 2.139 895 R HA -0.190 4.148 4.340 -0.003 0.000 0.243 895 R C 2.231 178.660 176.300 0.214 0.000 1.145 895 R CA 1.790 58.031 56.100 0.234 0.000 0.976 895 R CB -0.269 30.186 30.300 0.260 0.000 0.866 895 R HN 0.430 nan 8.270 nan 0.000 0.449 896 R N -0.627 119.943 120.500 0.117 0.000 2.100 896 R HA 0.004 4.343 4.340 -0.003 0.000 0.220 896 R C 2.271 178.565 176.300 -0.010 0.000 1.091 896 R CA 0.838 57.006 56.100 0.114 0.000 0.986 896 R CB -0.031 30.306 30.300 0.063 0.000 0.888 896 R HN 0.038 nan 8.270 nan 0.000 0.444 897 V N 2.104 121.896 119.914 -0.203 0.000 2.407 897 V HA -0.299 3.819 4.120 -0.003 0.000 0.248 897 V C 2.244 177.986 176.094 -0.585 0.000 1.055 897 V CA 1.832 63.828 62.300 -0.506 0.000 1.049 897 V CB -0.796 30.613 31.823 -0.690 0.000 0.662 897 V HN 0.478 nan 8.190 nan 0.000 0.455 898 N N 0.300 118.721 118.700 -0.465 0.000 2.036 898 N HA -0.225 4.514 4.740 -0.003 0.000 0.195 898 N C 1.851 177.125 175.510 -0.392 0.000 1.037 898 N CA 2.058 54.819 53.050 -0.482 0.000 0.855 898 N CB -0.198 37.946 38.487 -0.573 0.000 1.033 898 N HN 0.493 nan 8.380 nan 0.000 0.423 899 F N 0.630 120.554 119.950 -0.044 0.000 2.456 899 F HA 0.009 4.534 4.527 -0.003 0.000 0.298 899 F C 2.136 177.979 175.800 0.072 0.000 1.104 899 F CA -0.002 58.012 58.000 0.023 0.000 1.435 899 F CB -0.259 38.750 39.000 0.015 0.000 1.078 899 F HN 0.076 nan 8.300 nan 0.000 0.546 900 L N -0.911 120.427 121.223 0.192 0.000 2.141 900 L HA -0.096 4.243 4.340 -0.003 0.000 0.209 900 L C 1.288 178.462 176.870 0.505 0.000 1.094 900 L CA 1.762 56.756 54.840 0.256 0.000 0.763 900 L CB -0.653 41.500 42.059 0.157 0.000 0.908 900 L HN -0.013 nan 8.230 nan 0.000 0.437 901 F N 0.179 120.203 119.950 0.123 0.000 2.660 901 F HA 0.450 4.975 4.527 -0.003 0.000 0.302 901 F C 1.803 177.656 175.800 0.088 0.000 1.103 901 F CA -0.299 57.807 58.000 0.178 0.000 1.340 901 F CB -0.644 38.392 39.000 0.060 0.000 1.048 901 F HN 0.188 nan 8.300 nan 0.000 0.551 902 G N 0.784 109.727 108.800 0.238 0.000 2.132 902 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.234 902 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.234 902 G C -0.061 174.872 174.900 0.055 0.000 0.989 902 G CA 0.022 45.196 45.100 0.123 0.000 0.676 902 G HN 0.349 nan 8.290 nan 0.000 0.522 903 D N -0.828 119.560 120.400 -0.019 0.000 3.585 903 D HA -0.146 4.492 4.640 -0.003 0.000 0.251 903 D C 0.518 176.815 176.300 -0.005 0.000 1.065 903 D CA 1.362 55.286 54.000 -0.127 0.000 1.048 903 D CB -1.357 39.460 40.800 0.028 0.000 0.952 903 D HN 1.672 nan 8.370 nan 0.000 0.421 904 I N -2.211 118.299 120.570 -0.100 0.000 2.793 904 I HA 0.708 4.876 4.170 -0.003 0.000 0.313 904 I C 0.447 176.485 176.117 -0.131 0.000 0.998 904 I CA -1.105 60.167 61.300 -0.045 0.000 1.140 904 I CB 1.482 39.445 38.000 -0.061 0.000 1.327 904 I HN -0.075 nan 8.210 nan 0.000 0.491 905 V N 3.036 122.913 119.914 -0.061 0.000 2.637 905 V HA 0.184 4.302 4.120 -0.003 0.000 0.296 905 V C 0.175 176.242 176.094 -0.046 0.000 1.046 905 V CA -0.272 61.980 62.300 -0.081 0.000 1.066 905 V CB 0.403 32.251 31.823 0.042 0.000 0.968 905 V HN 0.657 nan 8.190 nan 0.000 0.483 906 K N 4.324 124.701 120.400 -0.038 0.000 2.464 906 K HA 0.700 5.019 4.320 -0.003 0.000 0.252 906 K C -1.200 175.432 176.600 0.053 0.000 1.000 906 K CA -0.343 55.947 56.287 0.004 0.000 0.951 906 K CB 1.642 34.157 32.500 0.026 0.000 1.183 906 K HN 0.591 nan 8.250 nan 0.000 0.445 907 V N -0.754 119.210 119.914 0.083 0.000 3.216 907 V HA 0.584 4.703 4.120 -0.003 0.000 0.302 907 V C -0.407 175.776 176.094 0.149 0.000 1.286 907 V CA -1.703 60.670 62.300 0.121 0.000 1.048 907 V CB 1.579 33.522 31.823 0.200 0.000 1.081 907 V HN 0.683 nan 8.190 nan 0.000 0.442 908 A N 2.605 125.524 122.820 0.164 0.000 2.548 908 A HA 0.523 4.841 4.320 -0.003 0.000 0.247 908 A C -1.294 176.402 177.584 0.186 0.000 1.067 908 A CA -0.218 51.917 52.037 0.163 0.000 0.757 908 A CB -0.193 18.908 19.000 0.168 0.000 0.996 908 A HN 0.827 nan 8.150 nan 0.000 0.504 909 P HA 0.034 nan 4.420 nan 0.000 0.268 909 P C 1.035 178.369 177.300 0.057 0.000 1.329 909 P CA 0.587 63.744 63.100 0.095 0.000 0.899 909 P CB 0.196 31.948 31.700 0.087 0.000 1.378 910 S N 0.506 116.233 115.700 0.044 0.000 2.399 910 S HA -0.147 4.322 4.470 -0.003 0.000 0.231 910 S C 1.952 176.505 174.600 -0.078 0.000 1.022 910 S CA 1.721 59.892 58.200 -0.048 0.000 0.983 910 S CB -1.548 61.628 63.200 -0.039 0.000 0.803 910 S HN 0.284 nan 8.310 nan 0.000 0.480 911 S N 1.869 117.574 115.700 0.008 0.000 2.428 911 S HA 0.054 4.523 4.470 -0.003 0.000 0.230 911 S C 1.764 176.409 174.600 0.076 0.000 1.014 911 S CA 0.789 59.021 58.200 0.054 0.000 0.957 911 S CB -0.451 62.833 63.200 0.138 0.000 0.784 911 S HN 0.646 nan 8.310 nan 0.000 0.499 912 K N 1.531 121.970 120.400 0.065 0.000 2.097 912 K HA -0.052 4.266 4.320 -0.003 0.000 0.205 912 K C 1.877 178.503 176.600 0.045 0.000 1.050 912 K CA 1.334 57.667 56.287 0.076 0.000 0.938 912 K CB -0.404 32.144 32.500 0.080 0.000 0.718 912 K HN 0.308 nan 8.250 nan 0.000 0.442 913 V N 1.059 120.970 119.914 -0.005 0.000 2.255 913 V HA -0.265 3.854 4.120 -0.003 0.000 0.247 913 V C 2.419 178.488 176.094 -0.042 0.000 1.051 913 V CA 1.796 64.084 62.300 -0.021 0.000 1.018 913 V CB -0.409 31.316 31.823 -0.163 0.000 0.641 913 V HN 0.155 nan 8.190 nan 0.000 0.445 914 V N 0.833 120.634 119.914 -0.188 0.000 2.407 914 V HA -0.167 3.952 4.120 -0.003 0.000 0.248 914 V C 2.591 178.472 176.094 -0.354 0.000 1.055 914 V CA 2.136 64.170 62.300 -0.443 0.000 1.049 914 V CB -1.418 29.955 31.823 -0.750 0.000 0.662 914 V HN 0.622 nan 8.190 nan 0.000 0.455 915 G N -0.323 108.441 108.800 -0.060 0.000 2.433 915 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.216 915 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.216 915 G C 1.245 176.206 174.900 0.101 0.000 1.186 915 G CA 0.981 46.187 45.100 0.177 0.000 0.779 915 G HN 0.474 nan 8.290 nan 0.000 0.543 916 D N 0.212 120.664 120.400 0.086 0.000 2.133 916 D HA -0.109 4.529 4.640 -0.003 0.000 0.195 916 D C 2.471 178.848 176.300 0.127 0.000 0.997 916 D CA 0.695 54.757 54.000 0.103 0.000 0.840 916 D CB -0.206 40.649 40.800 0.092 0.000 0.947 916 D HN 0.096 nan 8.370 nan 0.000 0.452 917 M N 0.345 120.002 119.600 0.095 0.000 2.117 917 M HA -0.098 4.380 4.480 -0.003 0.000 0.262 917 M C 2.197 178.562 176.300 0.110 0.000 1.065 917 M CA 0.881 56.261 55.300 0.133 0.000 1.114 917 M CB -0.771 31.845 32.600 0.026 0.000 1.361 917 M HN -0.017 nan 8.290 nan 0.000 0.408 918 A N 0.627 123.459 122.820 0.021 0.000 1.865 918 A HA -0.181 4.138 4.320 -0.003 0.000 0.217 918 A C 1.978 179.596 177.584 0.056 0.000 1.191 918 A CA 1.328 53.375 52.037 0.018 0.000 0.623 918 A CB -0.849 18.176 19.000 0.042 0.000 0.826 918 A HN 0.371 nan 8.150 nan 0.000 0.444 919 L N -1.640 119.634 121.223 0.085 0.000 1.956 919 L HA -0.222 4.116 4.340 -0.003 0.000 0.216 919 L C 2.443 179.379 176.870 0.109 0.000 1.073 919 L CA 2.374 57.268 54.840 0.090 0.000 0.762 919 L CB -1.973 40.154 42.059 0.114 0.000 0.889 919 L HN 0.618 nan 8.230 nan 0.000 0.433 920 Y N -0.437 119.888 120.300 0.041 0.000 2.151 920 Y HA -0.294 4.254 4.550 -0.003 0.000 0.284 920 Y C 2.737 178.657 175.900 0.033 0.000 1.166 920 Y CA 1.804 59.929 58.100 0.042 0.000 1.163 920 Y CB -0.127 38.381 38.460 0.080 0.000 0.974 920 Y HN 0.113 nan 8.280 nan 0.000 0.511 921 M N -1.536 118.150 119.600 0.142 0.000 2.086 921 M HA -0.234 4.244 4.480 -0.003 0.000 0.261 921 M C 2.058 178.335 176.300 -0.039 0.000 1.067 921 M CA 1.658 56.988 55.300 0.049 0.000 1.116 921 M CB -0.574 32.088 32.600 0.102 0.000 1.348 921 M HN 0.164 nan 8.290 nan 0.000 0.407 922 V N 0.256 120.158 119.914 -0.019 0.000 2.255 922 V HA -0.314 3.804 4.120 -0.003 0.000 0.247 922 V C 2.347 178.404 176.094 -0.062 0.000 1.051 922 V CA 1.947 64.227 62.300 -0.034 0.000 1.018 922 V CB -0.804 31.005 31.823 -0.023 0.000 0.641 922 V HN 0.542 nan 8.190 nan 0.000 0.445 923 Q N 0.057 119.812 119.800 -0.076 0.000 2.045 923 Q HA -0.217 4.121 4.340 -0.003 0.000 0.206 923 Q C 1.523 177.424 176.000 -0.166 0.000 0.991 923 Q CA 1.769 57.511 55.803 -0.103 0.000 0.851 923 Q CB -0.136 28.543 28.738 -0.099 0.000 0.911 923 Q HN 0.640 nan 8.270 nan 0.000 0.418 924 N N 1.155 119.686 118.700 -0.282 0.000 2.322 924 N HA -0.026 4.712 4.740 -0.003 0.000 0.216 924 N C -0.797 174.602 175.510 -0.184 0.000 1.144 924 N CA 0.166 53.037 53.050 -0.298 0.000 0.830 924 N CB 0.357 38.520 38.487 -0.541 0.000 1.034 924 N HN 0.176 nan 8.380 nan 0.000 0.484 925 D N 1.069 121.396 120.400 -0.122 0.000 2.697 925 D HA -0.165 4.473 4.640 -0.003 0.000 0.235 925 D C -0.845 175.423 176.300 -0.054 0.000 1.167 925 D CA 0.618 54.575 54.000 -0.071 0.000 0.656 925 D CB -0.621 40.144 40.800 -0.059 0.000 1.025 925 D HN 0.139 nan 8.370 nan 0.000 0.419 926 L N 0.657 121.854 121.223 -0.044 0.000 2.334 926 L HA 0.511 4.849 4.340 -0.003 0.000 0.275 926 L C 0.866 177.752 176.870 0.026 0.000 1.036 926 L CA -0.122 54.718 54.840 -0.000 0.000 0.807 926 L CB 1.600 43.679 42.059 0.034 0.000 1.231 926 L HN 0.023 nan 8.230 nan 0.000 0.438 927 D N 0.200 120.624 120.400 0.040 0.000 2.494 927 D HA 0.195 4.834 4.640 -0.003 0.000 0.259 927 D C 0.626 176.968 176.300 0.069 0.000 1.109 927 D CA -0.370 53.656 54.000 0.044 0.000 1.040 927 D CB 1.519 42.340 40.800 0.035 0.000 1.175 927 D HN 0.460 nan 8.370 nan 0.000 0.584 928 E N -0.409 119.830 120.200 0.065 0.000 2.204 928 E HA -0.157 4.191 4.350 -0.003 0.000 0.194 928 E C 1.480 178.130 176.600 0.083 0.000 0.989 928 E CA 1.411 57.860 56.400 0.082 0.000 0.824 928 E CB 0.168 29.912 29.700 0.073 0.000 0.756 928 E HN 0.258 nan 8.360 nan 0.000 0.477 929 Q N -1.108 118.732 119.800 0.067 0.000 2.297 929 Q HA 0.167 4.506 4.340 -0.003 0.000 0.203 929 Q C 1.883 177.926 176.000 0.072 0.000 0.931 929 Q CA 0.781 56.622 55.803 0.063 0.000 0.885 929 Q CB 0.318 29.085 28.738 0.047 0.000 0.991 929 Q HN 0.063 nan 8.270 nan 0.000 0.498 930 S N -0.108 115.633 115.700 0.070 0.000 2.481 930 S HA -0.049 4.420 4.470 -0.003 0.000 0.231 930 S C 1.816 176.480 174.600 0.107 0.000 0.996 930 S CA 0.585 58.827 58.200 0.069 0.000 0.942 930 S CB -0.067 63.159 63.200 0.043 0.000 0.768 930 S HN 0.208 nan 8.310 nan 0.000 0.520 931 V N 1.553 121.553 119.914 0.143 0.000 2.667 931 V HA 0.009 4.127 4.120 -0.003 0.000 0.252 931 V C 1.564 177.793 176.094 0.226 0.000 1.065 931 V CA 1.194 63.637 62.300 0.238 0.000 1.083 931 V CB -0.318 31.666 31.823 0.268 0.000 0.692 931 V HN 0.461 nan 8.190 nan 0.000 0.468 932 I N -0.798 119.857 120.570 0.142 0.000 2.260 932 I HA -0.124 4.045 4.170 -0.003 0.000 0.237 932 I C 2.471 178.675 176.117 0.145 0.000 1.075 932 I CA 1.549 62.918 61.300 0.116 0.000 1.376 932 I CB -0.796 37.246 38.000 0.071 0.000 1.107 932 I HN 0.228 nan 8.210 nan 0.000 0.420 933 T N 0.672 115.301 114.554 0.124 0.000 2.592 933 T HA -0.243 4.105 4.350 -0.003 0.000 0.267 933 T C 1.308 176.128 174.700 0.200 0.000 1.060 933 T CA 1.996 64.180 62.100 0.141 0.000 1.167 933 T CB -0.391 68.536 68.868 0.098 0.000 0.863 933 T HN 0.270 nan 8.240 nan 0.000 0.431 934 D N 0.407 120.876 120.400 0.116 0.000 2.355 934 D HA 0.148 4.787 4.640 -0.003 0.000 0.218 934 D C 2.191 178.448 176.300 -0.071 0.000 1.004 934 D CA 0.469 54.464 54.000 -0.008 0.000 0.880 934 D CB -0.757 40.013 40.800 -0.051 0.000 0.911 934 D HN 0.474 nan 8.370 nan 0.000 0.528 935 G N 1.154 110.039 108.800 0.142 0.000 2.503 935 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.221 935 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.221 935 G C 1.468 176.468 174.900 0.168 0.000 1.131 935 G CA 1.124 46.380 45.100 0.259 0.000 0.756 935 G HN 0.506 nan 8.290 nan 0.000 0.572 936 Y N 1.312 121.663 120.300 0.085 0.000 2.497 936 Y HA 0.096 4.644 4.550 -0.003 0.000 0.292 936 Y C 2.218 178.129 175.900 0.018 0.000 1.137 936 Y CA 1.307 59.437 58.100 0.051 0.000 1.285 936 Y CB -0.028 38.449 38.460 0.028 0.000 0.991 936 Y HN 0.361 nan 8.280 nan 0.000 0.556 937 K N -0.025 120.050 120.400 -0.542 0.000 2.374 937 K HA 0.265 4.583 4.320 -0.003 0.000 0.202 937 K C 1.144 177.586 176.600 -0.262 0.000 1.040 937 K CA 0.097 56.155 56.287 -0.382 0.000 1.085 937 K CB -0.109 32.082 32.500 -0.515 0.000 0.873 937 K HN 0.385 nan 8.250 nan 0.000 0.539 938 L N 1.393 122.437 121.223 -0.298 0.000 2.044 938 L HA -0.056 4.282 4.340 -0.003 0.000 0.205 938 L C 0.320 177.017 176.870 -0.289 0.000 1.075 938 L CA 1.058 55.682 54.840 -0.360 0.000 0.747 938 L CB -0.328 41.351 42.059 -0.633 0.000 0.903 938 L HN 0.467 nan 8.230 nan 0.000 0.435 939 D N -0.176 120.019 120.400 -0.342 0.000 3.639 939 D HA -0.170 4.468 4.640 -0.003 0.000 0.253 939 D C -0.587 175.511 176.300 -0.337 0.000 1.049 939 D CA 0.106 53.992 54.000 -0.191 0.000 1.059 939 D CB -0.921 39.837 40.800 -0.071 0.000 0.953 939 D HN -0.065 nan 8.370 nan 0.000 0.420 940 F N 1.036 120.851 119.950 -0.225 0.000 2.444 940 F HA 0.361 4.886 4.527 -0.003 0.000 0.331 940 F C -1.070 174.498 175.800 -0.387 0.000 1.167 940 F CA -1.217 56.489 58.000 -0.490 0.000 1.262 940 F CB -0.089 38.764 39.000 -0.245 0.000 1.196 940 F HN 0.040 nan 8.300 nan 0.000 0.583 941 P HA -0.018 nan 4.420 nan 0.000 0.266 941 P C 0.397 177.702 177.300 0.008 0.000 1.195 941 P CA 0.104 63.145 63.100 -0.098 0.000 0.768 941 P CB 0.679 32.348 31.700 -0.051 0.000 0.838 942 E N 2.600 122.811 120.200 0.019 0.000 2.187 942 E HA -0.250 4.098 4.350 -0.003 0.000 0.199 942 E C 1.726 178.357 176.600 0.052 0.000 1.004 942 E CA 2.293 58.713 56.400 0.033 0.000 0.813 942 E CB -0.607 29.111 29.700 0.030 0.000 0.736 942 E HN 0.456 nan 8.360 nan 0.000 0.468 943 S N -0.735 115.004 115.700 0.065 0.000 2.383 943 S HA -0.140 4.329 4.470 -0.003 0.000 0.227 943 S C 2.174 176.850 174.600 0.127 0.000 1.026 943 S CA 1.273 59.524 58.200 0.084 0.000 0.981 943 S CB -0.564 62.683 63.200 0.079 0.000 0.818 943 S HN 0.278 nan 8.310 nan 0.000 0.472 944 V N 1.951 121.953 119.914 0.147 0.000 2.591 944 V HA 0.015 4.133 4.120 -0.003 0.000 0.249 944 V C 2.402 178.630 176.094 0.224 0.000 1.053 944 V CA 1.436 63.878 62.300 0.237 0.000 1.068 944 V CB -0.588 31.414 31.823 0.298 0.000 0.689 944 V HN 0.586 nan 8.190 nan 0.000 0.462 945 V N -0.830 119.149 119.914 0.109 0.000 2.358 945 V HA -0.146 3.972 4.120 -0.003 0.000 0.246 945 V C 2.535 178.637 176.094 0.014 0.000 1.047 945 V CA 2.672 64.996 62.300 0.041 0.000 1.035 945 V CB -1.263 30.567 31.823 0.012 0.000 0.658 945 V HN 0.558 nan 8.190 nan 0.000 0.452 946 S N -0.158 115.562 115.700 0.033 0.000 2.374 946 S HA -0.220 4.248 4.470 -0.003 0.000 0.227 946 S C 1.712 176.317 174.600 0.009 0.000 1.037 946 S CA 2.174 60.377 58.200 0.006 0.000 1.024 946 S CB -0.724 62.494 63.200 0.030 0.000 0.861 946 S HN 0.827 nan 8.310 nan 0.000 0.456 947 F N 0.529 120.419 119.950 -0.100 0.000 2.060 947 F HA -0.015 4.511 4.527 -0.003 0.000 0.295 947 F C 1.640 177.247 175.800 -0.322 0.000 1.120 947 F CA 1.537 59.434 58.000 -0.171 0.000 1.205 947 F CB -0.392 38.484 39.000 -0.208 0.000 0.986 947 F HN 0.220 nan 8.300 nan 0.000 0.470 948 F N 0.790 120.418 119.950 -0.537 0.000 2.546 948 F HA -0.047 4.478 4.527 -0.003 0.000 0.298 948 F C 2.166 177.388 175.800 -0.963 0.000 1.120 948 F CA 0.889 58.278 58.000 -1.017 0.000 1.456 948 F CB -0.347 38.246 39.000 -0.678 0.000 1.088 948 F HN -0.071 nan 8.300 nan 0.000 0.572 949 K N -0.181 119.953 120.400 -0.444 0.000 2.365 949 K HA 0.092 4.410 4.320 -0.003 0.000 0.197 949 K C 1.493 177.862 176.600 -0.384 0.000 1.042 949 K CA 0.849 56.919 56.287 -0.362 0.000 0.987 949 K CB -0.037 32.330 32.500 -0.223 0.000 0.779 949 K HN 0.339 nan 8.250 nan 0.000 0.484 950 G N 1.384 109.935 108.800 -0.415 0.000 2.157 950 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.239 950 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.239 950 G C 0.344 175.170 174.900 -0.124 0.000 0.982 950 G CA 0.366 45.326 45.100 -0.234 0.000 0.650 950 G HN 0.449 nan 8.290 nan 0.000 0.527 951 E N -0.738 119.389 120.200 -0.123 0.000 2.478 951 E HA 0.123 4.471 4.350 -0.003 0.000 0.198 951 E C 1.435 178.036 176.600 0.003 0.000 1.046 951 E CA 0.299 56.658 56.400 -0.068 0.000 0.870 951 E CB 0.097 29.747 29.700 -0.084 0.000 0.818 951 E HN 0.435 nan 8.360 nan 0.000 0.527 952 I N -0.150 120.449 120.570 0.047 0.000 3.936 952 I HA 0.225 4.393 4.170 -0.003 0.000 0.330 952 I C 0.684 176.881 176.117 0.135 0.000 1.509 952 I CA 0.201 61.566 61.300 0.109 0.000 1.126 952 I CB 0.066 38.172 38.000 0.178 0.000 1.115 952 I HN 0.020 nan 8.210 nan 0.000 0.424 953 G N 1.451 110.312 108.800 0.103 0.000 2.710 953 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.668 953 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.668 953 G C -0.570 174.127 174.900 -0.340 0.000 1.320 953 G CA -0.854 44.274 45.100 0.048 0.000 0.860 953 G HN 0.091 nan 8.290 nan 0.000 0.538 954 Q N 0.841 120.016 119.800 -1.042 0.000 2.267 954 Q HA 0.479 4.818 4.340 -0.003 0.000 0.255 954 Q C -1.780 173.762 176.000 -0.763 0.000 0.923 954 Q CA -1.451 53.731 55.803 -1.035 0.000 0.925 954 Q CB 1.530 29.387 28.738 -1.467 0.000 1.195 954 Q HN 0.557 nan 8.270 nan 0.000 0.417 955 P HA 0.109 nan 4.420 nan 0.000 0.276 955 P C 0.685 177.775 177.300 -0.349 0.000 1.261 955 P CA -0.388 62.484 63.100 -0.379 0.000 0.800 955 P CB 0.998 32.480 31.700 -0.362 0.000 1.066 956 V N 1.645 121.460 119.914 -0.165 0.000 2.255 956 V HA -0.262 3.856 4.120 -0.003 0.000 0.247 956 V C 1.883 177.856 176.094 -0.202 0.000 1.051 956 V CA 2.446 64.666 62.300 -0.134 0.000 1.018 956 V CB -1.618 30.134 31.823 -0.119 0.000 0.641 956 V HN 0.568 nan 8.190 nan 0.000 0.445 957 N N -0.485 118.088 118.700 -0.212 0.000 2.461 957 N HA 0.336 5.074 4.740 -0.003 0.000 0.188 957 N C 0.779 176.154 175.510 -0.226 0.000 1.134 957 N CA 0.592 53.528 53.050 -0.190 0.000 0.878 957 N CB 0.407 38.814 38.487 -0.133 0.000 0.972 957 N HN 0.640 nan 8.380 nan 0.000 0.456 958 G N 0.254 108.822 108.800 -0.386 0.000 2.693 958 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.226 958 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.226 958 G C -0.786 173.741 174.900 -0.621 0.000 1.354 958 G CA -0.717 44.066 45.100 -0.529 0.000 0.873 958 G HN 0.144 nan 8.290 nan 0.000 0.562 959 F N 0.455 120.325 119.950 -0.133 0.000 2.480 959 F HA 0.516 5.041 4.527 -0.003 0.000 0.329 959 F C 0.604 176.421 175.800 0.029 0.000 1.091 959 F CA -0.516 57.454 58.000 -0.051 0.000 0.972 959 F CB 1.876 40.838 39.000 -0.063 0.000 1.150 959 F HN 0.684 nan 8.300 nan 0.000 0.467 960 N N 2.179 121.050 118.700 0.284 0.000 2.483 960 N HA 0.030 4.768 4.740 -0.003 0.000 0.264 960 N C 0.807 176.384 175.510 0.112 0.000 1.197 960 N CA 0.045 53.192 53.050 0.161 0.000 0.927 960 N CB 0.776 39.349 38.487 0.142 0.000 1.065 960 N HN 0.566 nan 8.380 nan 0.000 0.461 961 K N 2.028 122.462 120.400 0.057 0.000 2.057 961 K HA -0.116 4.202 4.320 -0.003 0.000 0.206 961 K C 0.528 177.103 176.600 -0.041 0.000 1.050 961 K CA 1.207 57.502 56.287 0.012 0.000 0.935 961 K CB 0.052 32.556 32.500 0.007 0.000 0.715 961 K HN 0.642 nan 8.250 nan 0.000 0.439 962 D N 1.098 121.477 120.400 -0.034 0.000 2.117 962 D HA -0.139 4.499 4.640 -0.003 0.000 0.198 962 D C 1.819 178.048 176.300 -0.119 0.000 0.982 962 D CA 0.774 54.741 54.000 -0.055 0.000 0.828 962 D CB -0.110 40.676 40.800 -0.022 0.000 0.967 962 D HN 0.014 nan 8.370 nan 0.000 0.464 963 L N 0.683 121.814 121.223 -0.153 0.000 2.156 963 L HA -0.076 4.263 4.340 -0.003 0.000 0.208 963 L C 2.130 178.594 176.870 -0.676 0.000 1.095 963 L CA 1.489 56.133 54.840 -0.327 0.000 0.770 963 L CB -0.420 41.499 42.059 -0.234 0.000 0.914 963 L HN -0.032 nan 8.230 nan 0.000 0.439 964 Q N -0.628 118.857 119.800 -0.526 0.000 2.046 964 Q HA -0.200 4.139 4.340 -0.003 0.000 0.200 964 Q C 2.168 177.946 176.000 -0.370 0.000 0.975 964 Q CA 1.686 57.169 55.803 -0.534 0.000 0.836 964 Q CB -0.178 28.439 28.738 -0.201 0.000 0.896 964 Q HN 0.634 nan 8.270 nan 0.000 0.428 965 A N 0.062 122.744 122.820 -0.230 0.000 1.883 965 A HA -0.166 4.152 4.320 -0.003 0.000 0.217 965 A C 2.159 179.664 177.584 -0.133 0.000 1.186 965 A CA 1.813 53.761 52.037 -0.148 0.000 0.624 965 A CB -0.763 18.181 19.000 -0.092 0.000 0.822 965 A HN 0.324 nan 8.150 nan 0.000 0.444 966 V N -0.328 119.497 119.914 -0.149 0.000 2.719 966 V HA -0.139 3.979 4.120 -0.003 0.000 0.252 966 V C 2.268 178.323 176.094 -0.065 0.000 1.065 966 V CA 1.588 63.859 62.300 -0.048 0.000 1.086 966 V CB -0.477 31.349 31.823 0.005 0.000 0.700 966 V HN 0.548 nan 8.190 nan 0.000 0.467 967 I N -0.662 119.697 120.570 -0.352 0.000 2.584 967 I HA -0.100 4.068 4.170 -0.003 0.000 0.255 967 I C 2.042 178.050 176.117 -0.183 0.000 1.145 967 I CA 1.176 62.203 61.300 -0.455 0.000 1.462 967 I CB -0.014 37.432 38.000 -0.923 0.000 1.102 967 I HN 0.235 nan 8.210 nan 0.000 0.433 968 L N 0.190 121.297 121.223 -0.194 0.000 2.341 968 L HA -0.018 4.320 4.340 -0.003 0.000 0.214 968 L C 0.748 177.582 176.870 -0.060 0.000 1.115 968 L CA 0.389 55.154 54.840 -0.125 0.000 0.820 968 L CB -0.330 41.632 42.059 -0.161 0.000 0.944 968 L HN 0.152 nan 8.230 nan 0.000 0.452 969 K N 0.374 120.753 120.400 -0.035 0.000 3.012 969 K HA -0.267 4.052 4.320 -0.003 0.000 0.259 969 K C 0.890 177.482 176.600 -0.013 0.000 0.989 969 K CA 0.267 56.556 56.287 0.004 0.000 0.728 969 K CB -1.646 30.880 32.500 0.043 0.000 1.260 969 K HN 0.653 nan 8.250 nan 0.000 0.480 970 G N -0.743 108.034 108.800 -0.037 0.000 2.238 970 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.217 970 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.217 970 G C -0.020 174.851 174.900 -0.049 0.000 0.996 970 G CA 0.128 45.205 45.100 -0.038 0.000 0.632 970 G HN 0.359 nan 8.290 nan 0.000 0.503 971 Q N 1.031 120.796 119.800 -0.059 0.000 2.392 971 Q HA 0.383 4.722 4.340 -0.003 0.000 0.262 971 Q C 0.013 175.956 176.000 -0.095 0.000 1.003 971 Q CA 0.250 56.010 55.803 -0.073 0.000 0.888 971 Q CB 0.671 29.362 28.738 -0.078 0.000 1.260 971 Q HN 0.593 nan 8.270 nan 0.000 0.435 972 E N 0.570 120.712 120.200 -0.096 0.000 2.313 972 E HA 0.353 4.702 4.350 -0.003 0.000 0.276 972 E C -0.881 175.626 176.600 -0.156 0.000 1.031 972 E CA -0.490 55.846 56.400 -0.107 0.000 0.857 972 E CB 0.987 30.638 29.700 -0.082 0.000 1.040 972 E HN 0.548 nan 8.360 nan 0.000 0.408 973 A N 3.855 126.572 122.820 -0.171 0.000 2.327 973 A HA 0.354 4.672 4.320 -0.003 0.000 0.283 973 A C 0.155 177.624 177.584 -0.191 0.000 1.127 973 A CA -0.610 51.290 52.037 -0.227 0.000 0.810 973 A CB 0.344 19.175 19.000 -0.282 0.000 1.066 973 A HN 0.599 nan 8.150 nan 0.000 0.492 974 L N 1.187 122.259 121.223 -0.251 0.000 2.473 974 L HA 0.117 4.455 4.340 -0.003 0.000 0.265 974 L C 1.335 178.208 176.870 0.005 0.000 1.243 974 L CA -0.020 54.675 54.840 -0.242 0.000 0.822 974 L CB 0.135 41.969 42.059 -0.375 0.000 1.101 974 L HN 0.935 nan 8.230 nan 0.000 0.507 975 T N -0.644 114.045 114.554 0.225 0.000 3.238 975 T HA 0.188 4.536 4.350 -0.003 0.000 0.242 975 T C 0.616 175.477 174.700 0.268 0.000 0.980 975 T CA 0.313 62.531 62.100 0.196 0.000 1.235 975 T CB 0.194 69.164 68.868 0.170 0.000 1.069 975 T HN 0.667 nan 8.240 nan 0.000 0.407 976 A N 2.557 125.591 122.820 0.356 0.000 2.409 976 A HA 0.420 4.738 4.320 -0.003 0.000 0.246 976 A C 0.520 178.396 177.584 0.485 0.000 1.099 976 A CA -0.389 51.843 52.037 0.326 0.000 0.789 976 A CB -0.075 18.959 19.000 0.057 0.000 1.053 976 A HN 0.618 nan 8.150 nan 0.000 0.503 977 R N 0.383 121.149 120.500 0.443 0.000 2.679 977 R HA 0.207 4.545 4.340 -0.003 0.000 0.268 977 R C -2.298 174.215 176.300 0.356 0.000 1.044 977 R CA -0.740 55.630 56.100 0.449 0.000 1.105 977 R CB -0.487 29.877 30.300 0.107 0.000 0.989 977 R HN 0.363 nan 8.270 nan 0.000 0.447 978 P HA -0.177 nan 4.420 nan 0.000 0.216 978 P C 1.339 178.765 177.300 0.211 0.000 1.150 978 P CA 1.907 65.135 63.100 0.215 0.000 0.843 978 P CB -0.113 31.641 31.700 0.090 0.000 0.787 979 G N 0.334 109.216 108.800 0.136 0.000 2.442 979 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.219 979 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.219 979 G C 1.387 176.332 174.900 0.075 0.000 1.141 979 G CA 0.537 45.689 45.100 0.087 0.000 0.763 979 G HN 0.300 nan 8.290 nan 0.000 0.554 980 E N -0.510 119.724 120.200 0.057 0.000 2.331 980 E HA -0.129 4.219 4.350 -0.003 0.000 0.199 980 E C 1.751 178.270 176.600 -0.135 0.000 1.008 980 E CA 0.687 57.047 56.400 -0.066 0.000 0.843 980 E CB -0.165 29.447 29.700 -0.148 0.000 0.761 980 E HN 0.698 nan 8.360 nan 0.000 0.507 981 Y N 0.135 120.434 120.300 -0.001 0.000 2.517 981 Y HA 0.121 4.669 4.550 -0.003 0.000 0.281 981 Y C 1.012 176.899 175.900 -0.021 0.000 1.125 981 Y CA 0.044 58.138 58.100 -0.011 0.000 1.283 981 Y CB 0.449 38.901 38.460 -0.013 0.000 1.042 981 Y HN -0.106 nan 8.280 nan 0.000 0.547 982 L N 1.123 122.411 121.223 0.108 0.000 2.305 982 L HA 0.203 4.541 4.340 -0.003 0.000 0.281 982 L C 0.129 177.007 176.870 0.014 0.000 1.085 982 L CA -0.613 54.256 54.840 0.048 0.000 0.813 982 L CB 0.942 43.017 42.059 0.027 0.000 1.157 982 L HN -0.035 nan 8.230 nan 0.000 0.436 983 E N 5.607 125.807 120.200 0.001 0.000 2.414 983 E HA 0.103 4.452 4.350 -0.003 0.000 0.263 983 E C -2.163 174.414 176.600 -0.037 0.000 1.000 983 E CA -1.093 55.295 56.400 -0.019 0.000 0.914 983 E CB 0.508 30.196 29.700 -0.020 0.000 0.948 983 E HN 0.192 nan 8.360 nan 0.000 0.444 984 P HA -0.013 nan 4.420 nan 0.000 0.271 984 P C -0.696 176.505 177.300 -0.164 0.000 1.216 984 P CA -0.183 62.858 63.100 -0.098 0.000 0.776 984 P CB 0.659 32.303 31.700 -0.094 0.000 0.881 985 V N 3.255 123.002 119.914 -0.277 0.000 2.572 985 V HA -0.000 4.118 4.120 -0.003 0.000 0.291 985 V C 0.982 176.740 176.094 -0.560 0.000 1.039 985 V CA 0.273 62.338 62.300 -0.392 0.000 1.055 985 V CB 0.276 31.831 31.823 -0.447 0.000 0.969 985 V HN 0.565 nan 8.190 nan 0.000 0.482 986 D N 4.044 124.266 120.400 -0.295 0.000 2.422 986 D HA 0.167 4.805 4.640 -0.003 0.000 0.227 986 D C 0.762 177.001 176.300 -0.101 0.000 1.190 986 D CA -0.007 53.882 54.000 -0.185 0.000 0.905 986 D CB 0.311 41.072 40.800 -0.065 0.000 1.034 986 D HN 0.474 nan 8.370 nan 0.000 0.507 987 F N 1.387 121.362 119.950 0.042 0.000 2.451 987 F HA -0.055 4.470 4.527 -0.003 0.000 0.299 987 F C 2.245 178.061 175.800 0.027 0.000 1.101 987 F CA 0.270 58.296 58.000 0.043 0.000 1.436 987 F CB 0.356 39.379 39.000 0.038 0.000 1.074 987 F HN 0.364 nan 8.300 nan 0.000 0.553 988 E N 0.491 120.795 120.200 0.173 0.000 2.028 988 E HA -0.161 4.188 4.350 -0.003 0.000 0.190 988 E C 2.195 178.838 176.600 0.072 0.000 0.984 988 E CA 0.703 57.164 56.400 0.102 0.000 0.800 988 E CB -0.030 29.710 29.700 0.066 0.000 0.758 988 E HN 0.211 nan 8.360 nan 0.000 0.448 989 K N 0.657 121.092 120.400 0.058 0.000 2.113 989 K HA -0.153 4.166 4.320 -0.003 0.000 0.208 989 K C 2.211 178.836 176.600 0.042 0.000 1.047 989 K CA 0.849 57.161 56.287 0.042 0.000 0.928 989 K CB -0.570 31.952 32.500 0.037 0.000 0.716 989 K HN 0.069 nan 8.250 nan 0.000 0.446 990 V N 1.198 121.160 119.914 0.081 0.000 2.295 990 V HA -0.228 3.890 4.120 -0.003 0.000 0.246 990 V C 2.646 178.734 176.094 -0.011 0.000 1.049 990 V CA 1.824 64.155 62.300 0.051 0.000 1.024 990 V CB -0.506 31.433 31.823 0.194 0.000 0.648 990 V HN 0.350 nan 8.190 nan 0.000 0.447 991 R N 0.209 120.732 120.500 0.038 0.000 2.083 991 R HA -0.233 4.106 4.340 -0.003 0.000 0.237 991 R C 2.256 178.554 176.300 -0.003 0.000 1.137 991 R CA 2.217 58.326 56.100 0.014 0.000 0.951 991 R CB -0.249 30.070 30.300 0.031 0.000 0.851 991 R HN 0.619 nan 8.270 nan 0.000 0.434 992 E N 0.082 120.285 120.200 0.005 0.000 2.204 992 E HA -0.193 4.155 4.350 -0.003 0.000 0.194 992 E C 1.895 178.485 176.600 -0.017 0.000 0.989 992 E CA 0.972 57.372 56.400 -0.001 0.000 0.824 992 E CB -0.024 29.681 29.700 0.008 0.000 0.756 992 E HN 0.245 nan 8.360 nan 0.000 0.477 993 L N 0.522 121.721 121.223 -0.041 0.000 2.044 993 L HA -0.104 4.234 4.340 -0.003 0.000 0.205 993 L C 1.977 178.793 176.870 -0.090 0.000 1.075 993 L CA 1.383 56.180 54.840 -0.072 0.000 0.747 993 L CB -0.113 41.877 42.059 -0.115 0.000 0.903 993 L HN 0.085 nan 8.230 nan 0.000 0.435 994 L N -0.819 120.332 121.223 -0.121 0.000 2.056 994 L HA -0.177 4.161 4.340 -0.003 0.000 0.207 994 L C 2.472 179.340 176.870 -0.004 0.000 1.078 994 L CA 1.371 56.175 54.840 -0.061 0.000 0.749 994 L CB -0.703 41.332 42.059 -0.041 0.000 0.901 994 L HN 0.317 nan 8.230 nan 0.000 0.433 995 E N -0.226 119.971 120.200 -0.005 0.000 2.110 995 E HA -0.224 4.124 4.350 -0.003 0.000 0.193 995 E C 2.176 178.778 176.600 0.003 0.000 0.988 995 E CA 0.789 57.193 56.400 0.006 0.000 0.804 995 E CB 0.021 29.724 29.700 0.005 0.000 0.745 995 E HN 0.354 nan 8.360 nan 0.000 0.458 996 E N 0.884 121.081 120.200 -0.004 0.000 2.077 996 E HA -0.204 4.145 4.350 -0.003 0.000 0.193 996 E C 1.874 178.473 176.600 -0.001 0.000 0.989 996 E CA 1.111 57.510 56.400 -0.003 0.000 0.800 996 E CB 0.107 29.804 29.700 -0.004 0.000 0.746 996 E HN 0.348 nan 8.360 nan 0.000 0.452 997 E N 0.416 120.614 120.200 -0.002 0.000 2.015 997 E HA -0.119 4.229 4.350 -0.003 0.000 0.191 997 E C 1.040 177.642 176.600 0.003 0.000 0.991 997 E CA 0.652 57.054 56.400 0.003 0.000 0.802 997 E CB 0.004 29.709 29.700 0.007 0.000 0.759 997 E HN 0.290 nan 8.360 nan 0.000 0.447 998 Q N 0.730 120.538 119.800 0.012 0.000 2.526 998 Q HA -0.041 4.298 4.340 -0.003 0.000 0.207 998 Q C 1.508 177.512 176.000 0.006 0.000 1.078 998 Q CA -0.311 55.499 55.803 0.011 0.000 1.041 998 Q CB 0.242 28.999 28.738 0.032 0.000 1.228 998 Q HN 0.166 nan 8.270 nan 0.000 0.603 999 Q N -0.206 119.597 119.800 0.004 0.000 2.096 999 Q HA -0.152 4.187 4.340 -0.003 0.000 0.204 999 Q C 0.525 176.528 176.000 0.005 0.000 0.982 999 Q CA 2.164 57.968 55.803 0.002 0.000 0.850 999 Q CB -0.109 28.629 28.738 0.000 0.000 0.901 999 Q HN 0.775 nan 8.270 nan 0.000 0.422 1000 G N -0.234 108.572 108.800 0.011 0.000 2.927 1000 G HA2 0.196 4.154 3.960 -0.003 0.000 0.111 1000 G HA3 0.196 4.154 3.960 -0.003 0.000 0.111 1000 G C -2.633 172.278 174.900 0.017 0.000 1.198 1000 G CA -0.438 44.669 45.100 0.011 0.000 1.382 1000 G HN 0.203 nan 8.290 nan 0.000 0.663 1001 P HA 0.339 nan 4.420 nan 0.000 0.257 1001 P C -0.398 176.918 177.300 0.027 0.000 1.162 1001 P CA 0.353 63.462 63.100 0.016 0.000 0.762 1001 P CB 0.939 32.646 31.700 0.012 0.000 0.753 1002 V N 3.741 123.670 119.914 0.025 0.000 2.667 1002 V HA 0.437 4.555 4.120 -0.003 0.000 0.308 1002 V C 0.756 176.856 176.094 0.011 0.000 1.048 1002 V CA -0.327 61.997 62.300 0.039 0.000 0.928 1002 V CB 2.124 33.972 31.823 0.042 0.000 1.004 1002 V HN 0.589 nan 8.190 nan 0.000 0.444 1003 T N 0.404 114.962 114.554 0.007 0.000 2.881 1003 T HA 0.329 4.678 4.350 -0.003 0.000 0.278 1003 T C 0.878 175.524 174.700 -0.090 0.000 0.982 1003 T CA -0.572 61.501 62.100 -0.046 0.000 0.989 1003 T CB 1.142 69.971 68.868 -0.066 0.000 1.058 1003 T HN 0.585 nan 8.240 nan 0.000 0.529 1004 E N 0.495 120.613 120.200 -0.136 0.000 2.153 1004 E HA -0.167 4.182 4.350 -0.003 0.000 0.194 1004 E C 2.109 178.555 176.600 -0.257 0.000 0.988 1004 E CA 1.366 57.655 56.400 -0.184 0.000 0.811 1004 E CB -0.273 29.312 29.700 -0.191 0.000 0.746 1004 E HN 0.749 nan 8.360 nan 0.000 0.466 1005 Q N 0.343 119.917 119.800 -0.378 0.000 2.224 1005 Q HA -0.123 4.215 4.340 -0.003 0.000 0.203 1005 Q C 1.581 177.426 176.000 -0.259 0.000 0.970 1005 Q CA 0.936 56.344 55.803 -0.657 0.000 0.865 1005 Q CB 0.111 28.188 28.738 -1.101 0.000 0.922 1005 Q HN 0.256 nan 8.270 nan 0.000 0.445 1006 D N 0.599 120.928 120.400 -0.118 0.000 2.103 1006 D HA -0.085 4.553 4.640 -0.003 0.000 0.199 1006 D C 1.904 178.098 176.300 -0.178 0.000 0.978 1006 D CA 0.818 54.775 54.000 -0.072 0.000 0.829 1006 D CB -0.048 40.804 40.800 0.087 0.000 0.981 1006 D HN 0.230 nan 8.370 nan 0.000 0.464 1007 I N 0.720 121.237 120.570 -0.088 0.000 2.151 1007 I HA -0.273 3.896 4.170 -0.003 0.000 0.243 1007 I C 2.445 178.592 176.117 0.050 0.000 1.080 1007 I CA 0.818 62.103 61.300 -0.024 0.000 1.339 1007 I CB -0.131 37.835 38.000 -0.057 0.000 1.039 1007 I HN -0.035 nan 8.210 nan 0.000 0.409 1008 I N 0.041 120.628 120.570 0.029 0.000 2.439 1008 I HA -0.198 3.970 4.170 -0.003 0.000 0.251 1008 I C 2.491 178.783 176.117 0.292 0.000 1.139 1008 I CA 1.433 62.828 61.300 0.159 0.000 1.438 1008 I CB -0.162 37.962 38.000 0.206 0.000 1.085 1008 I HN 0.038 nan 8.210 nan 0.000 0.427 1009 S N -0.252 115.669 115.700 0.367 0.000 2.368 1009 S HA -0.233 4.236 4.470 -0.003 0.000 0.225 1009 S C 1.934 176.607 174.600 0.122 0.000 1.030 1009 S CA 1.608 60.088 58.200 0.467 0.000 0.999 1009 S CB -0.664 62.823 63.200 0.479 0.000 0.844 1009 S HN 0.644 nan 8.310 nan 0.000 0.459 1010 Y N 2.476 122.587 120.300 -0.315 0.000 2.145 1010 Y HA -0.172 4.376 4.550 -0.003 0.000 0.286 1010 Y C 2.226 178.174 175.900 0.081 0.000 1.145 1010 Y CA 1.218 59.213 58.100 -0.174 0.000 1.148 1010 Y CB -0.657 37.675 38.460 -0.215 0.000 0.981 1010 Y HN 0.009 nan 8.280 nan 0.000 0.507 1011 V N 0.620 120.607 119.914 0.121 0.000 2.332 1011 V HA -0.342 3.776 4.120 -0.003 0.000 0.248 1011 V C 2.435 178.529 176.094 0.001 0.000 1.055 1011 V CA 2.212 64.564 62.300 0.088 0.000 1.038 1011 V CB -0.726 31.245 31.823 0.247 0.000 0.651 1011 V HN 0.472 nan 8.190 nan 0.000 0.450 1012 L N -2.116 119.077 121.223 -0.049 0.000 2.131 1012 L HA -0.034 4.305 4.340 -0.003 0.000 0.206 1012 L C 0.546 177.326 176.870 -0.150 0.000 1.087 1012 L CA 1.263 55.959 54.840 -0.240 0.000 0.767 1012 L CB -0.013 41.898 42.059 -0.245 0.000 0.917 1012 L HN 0.356 nan 8.230 nan 0.000 0.441 1013 Y N -1.966 118.442 120.300 0.180 0.000 2.513 1013 Y HA 0.228 4.776 4.550 -0.003 0.000 0.341 1013 Y C -1.877 174.037 175.900 0.024 0.000 1.075 1013 Y CA -1.735 56.480 58.100 0.190 0.000 1.190 1013 Y CB 0.445 39.024 38.460 0.198 0.000 1.111 1013 Y HN -0.092 nan 8.280 nan 0.000 0.644 1014 P HA -0.224 nan 4.420 nan 0.000 0.211 1014 P C 1.391 178.719 177.300 0.046 0.000 1.181 1014 P CA 1.705 64.615 63.100 -0.316 0.000 0.929 1014 P CB 0.555 32.055 31.700 -0.333 0.000 0.789 1015 K N -0.499 119.935 120.400 0.057 0.000 2.001 1015 K HA -0.117 4.202 4.320 -0.003 0.000 0.214 1015 K C 2.088 178.743 176.600 0.092 0.000 1.050 1015 K CA 1.241 57.573 56.287 0.075 0.000 0.934 1015 K CB -1.564 30.947 32.500 0.018 0.000 0.718 1015 K HN -0.081 nan 8.250 nan 0.000 0.443 1016 V N 0.180 120.146 119.914 0.087 0.000 2.332 1016 V HA -0.283 3.836 4.120 -0.003 0.000 0.248 1016 V C 2.029 178.168 176.094 0.075 0.000 1.055 1016 V CA 1.991 64.325 62.300 0.057 0.000 1.038 1016 V CB -0.527 31.314 31.823 0.029 0.000 0.651 1016 V HN 0.308 nan 8.190 nan 0.000 0.450 1017 Y N 1.161 121.443 120.300 -0.030 0.000 2.145 1017 Y HA -0.211 4.337 4.550 -0.003 0.000 0.286 1017 Y C 2.638 178.619 175.900 0.135 0.000 1.145 1017 Y CA 1.973 60.036 58.100 -0.063 0.000 1.148 1017 Y CB -0.179 38.271 38.460 -0.017 0.000 0.981 1017 Y HN 0.272 nan 8.280 nan 0.000 0.507 1018 E N 0.354 120.670 120.200 0.193 0.000 2.118 1018 E HA -0.270 4.079 4.350 -0.003 0.000 0.195 1018 E C 2.041 178.641 176.600 0.001 0.000 0.992 1018 E CA 1.764 58.224 56.400 0.100 0.000 0.804 1018 E CB -0.366 29.451 29.700 0.195 0.000 0.741 1018 E HN 0.720 nan 8.360 nan 0.000 0.458 1019 Q N -0.450 119.370 119.800 0.033 0.000 2.119 1019 Q HA -0.157 4.181 4.340 -0.003 0.000 0.201 1019 Q C 2.084 178.104 176.000 0.033 0.000 0.972 1019 Q CA 1.095 56.914 55.803 0.027 0.000 0.847 1019 Q CB -0.297 28.464 28.738 0.038 0.000 0.903 1019 Q HN 0.339 nan 8.270 nan 0.000 0.433 1020 Y N 1.575 121.830 120.300 -0.074 0.000 2.224 1020 Y HA -0.236 4.312 4.550 -0.003 0.000 0.289 1020 Y C 1.881 177.728 175.900 -0.088 0.000 1.146 1020 Y CA 1.108 59.187 58.100 -0.035 0.000 1.182 1020 Y CB -0.074 38.407 38.460 0.035 0.000 0.983 1020 Y HN 0.003 nan 8.280 nan 0.000 0.524 1021 I N 0.456 120.807 120.570 -0.365 0.000 2.179 1021 I HA -0.292 3.876 4.170 -0.003 0.000 0.242 1021 I C 2.239 178.200 176.117 -0.262 0.000 1.088 1021 I CA 1.338 62.408 61.300 -0.384 0.000 1.357 1021 I CB -1.535 36.295 38.000 -0.283 0.000 1.051 1021 I HN 0.335 nan 8.210 nan 0.000 0.409 1022 Q N 0.396 120.097 119.800 -0.164 0.000 2.096 1022 Q HA -0.155 4.183 4.340 -0.003 0.000 0.204 1022 Q C 2.249 178.169 176.000 -0.133 0.000 0.982 1022 Q CA 1.994 57.727 55.803 -0.118 0.000 0.850 1022 Q CB -1.043 27.656 28.738 -0.066 0.000 0.901 1022 Q HN 0.499 nan 8.270 nan 0.000 0.422 1023 T N 0.940 115.429 114.554 -0.107 0.000 2.821 1023 T HA -0.106 4.243 4.350 -0.003 0.000 0.267 1023 T C 1.858 176.511 174.700 -0.079 0.000 1.046 1023 T CA 1.173 63.257 62.100 -0.027 0.000 1.139 1023 T CB -0.082 68.852 68.868 0.110 0.000 0.871 1023 T HN 0.267 nan 8.240 nan 0.000 0.454 1024 R N 1.182 121.532 120.500 -0.249 0.000 2.081 1024 R HA -0.031 4.308 4.340 -0.003 0.000 0.235 1024 R C 2.123 178.331 176.300 -0.152 0.000 1.131 1024 R CA 1.560 57.509 56.100 -0.251 0.000 0.960 1024 R CB -0.272 29.743 30.300 -0.475 0.000 0.856 1024 R HN 0.506 nan 8.270 nan 0.000 0.436 1025 N N -0.258 118.343 118.700 -0.165 0.000 2.223 1025 N HA -0.215 4.523 4.740 -0.003 0.000 0.185 1025 N C 1.818 177.243 175.510 -0.143 0.000 1.016 1025 N CA 1.026 54.000 53.050 -0.128 0.000 0.863 1025 N CB 0.029 38.444 38.487 -0.119 0.000 0.983 1025 N HN 0.364 nan 8.380 nan 0.000 0.429 1026 Q N -0.431 119.237 119.800 -0.220 0.000 2.165 1026 Q HA -0.019 4.319 4.340 -0.003 0.000 0.197 1026 Q C 0.714 176.508 176.000 -0.344 0.000 0.952 1026 Q CA 0.936 56.505 55.803 -0.391 0.000 0.848 1026 Q CB 0.311 28.634 28.738 -0.690 0.000 0.931 1026 Q HN 0.497 nan 8.270 nan 0.000 0.470 1027 Y N -1.301 119.006 120.300 0.011 0.000 2.430 1027 Y HA 0.321 4.869 4.550 -0.002 0.000 0.254 1027 Y C 1.019 176.911 175.900 -0.014 0.000 1.088 1027 Y CA -0.317 57.804 58.100 0.034 0.000 1.267 1027 Y CB 1.576 40.083 38.460 0.079 0.000 1.204 1027 Y HN 0.324 nan 8.280 nan 0.000 0.515 1028 G N 1.670 110.523 108.800 0.089 0.000 2.542 1028 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.235 1028 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.235 1028 G C -0.595 174.321 174.900 0.027 0.000 1.286 1028 G CA -0.263 44.858 45.100 0.035 0.000 0.904 1028 G HN 0.247 nan 8.290 nan 0.000 0.577 1029 N N 1.462 120.174 118.700 0.021 0.000 2.663 1029 N HA 0.363 5.102 4.740 -0.003 0.000 0.250 1029 N C 1.760 177.265 175.510 -0.008 0.000 1.129 1029 N CA -0.028 53.036 53.050 0.024 0.000 0.995 1029 N CB -0.074 38.428 38.487 0.026 0.000 1.324 1029 N HN 0.501 nan 8.380 nan 0.000 0.512 1030 L N 1.263 122.477 121.223 -0.016 0.000 2.201 1030 L HA -0.151 4.187 4.340 -0.003 0.000 0.212 1030 L C 2.221 179.032 176.870 -0.098 0.000 1.105 1030 L CA 0.953 55.745 54.840 -0.080 0.000 0.775 1030 L CB -0.434 41.600 42.059 -0.041 0.000 0.913 1030 L HN 0.516 nan 8.230 nan 0.000 0.440 1031 S N 0.087 115.732 115.700 -0.092 0.000 2.465 1031 S HA -0.136 4.332 4.470 -0.003 0.000 0.241 1031 S C 1.738 176.265 174.600 -0.121 0.000 1.000 1031 S CA 0.881 58.991 58.200 -0.150 0.000 0.964 1031 S CB -0.506 62.637 63.200 -0.096 0.000 0.763 1031 S HN 0.470 nan 8.310 nan 0.000 0.512 1032 L N 0.270 121.448 121.223 -0.075 0.000 2.418 1032 L HA 0.316 4.654 4.340 -0.003 0.000 0.218 1032 L C 0.666 177.504 176.870 -0.052 0.000 1.125 1032 L CA -0.041 54.767 54.840 -0.053 0.000 0.835 1032 L CB -0.423 41.618 42.059 -0.029 0.000 0.953 1032 L HN 0.250 nan 8.230 nan 0.000 0.454 1033 L N 1.150 122.337 121.223 -0.060 0.000 2.461 1033 L HA 0.036 4.375 4.340 -0.003 0.000 0.272 1033 L C 0.391 177.221 176.870 -0.067 0.000 1.197 1033 L CA -0.389 54.432 54.840 -0.032 0.000 0.836 1033 L CB 0.147 42.223 42.059 0.028 0.000 1.105 1033 L HN 0.205 nan 8.230 nan 0.000 0.477 1034 D N 0.704 121.072 120.400 -0.055 0.000 2.382 1034 D HA -0.021 4.618 4.640 -0.003 0.000 0.240 1034 D C 0.715 176.926 176.300 -0.148 0.000 1.146 1034 D CA -0.342 53.599 54.000 -0.098 0.000 0.897 1034 D CB 0.976 41.715 40.800 -0.101 0.000 1.197 1034 D HN 0.541 nan 8.370 nan 0.000 0.432 1035 T N 1.668 116.082 114.554 -0.233 0.000 2.720 1035 T HA -0.085 4.263 4.350 -0.003 0.000 0.268 1035 T C -0.936 173.604 174.700 -0.266 0.000 1.037 1035 T CA 1.399 63.302 62.100 -0.328 0.000 1.144 1035 T CB -0.980 67.724 68.868 -0.273 0.000 0.864 1035 T HN 0.460 nan 8.240 nan 0.000 0.444 1036 P HA -0.052 nan 4.420 nan 0.000 0.215 1036 P C 1.584 178.998 177.300 0.190 0.000 1.153 1036 P CA 1.230 64.333 63.100 0.005 0.000 0.853 1036 P CB -0.271 31.322 31.700 -0.179 0.000 0.788 1037 T N -1.228 113.365 114.554 0.065 0.000 2.857 1037 T HA -0.105 4.243 4.350 -0.003 0.000 0.266 1037 T C 1.422 176.211 174.700 0.148 0.000 1.048 1037 T CA 0.744 62.916 62.100 0.119 0.000 1.139 1037 T CB -0.971 67.949 68.868 0.087 0.000 0.874 1037 T HN 0.032 nan 8.240 nan 0.000 0.455 1038 F N 0.918 120.807 119.950 -0.101 0.000 2.171 1038 F HA 0.001 4.526 4.527 -0.003 0.000 0.300 1038 F C 1.581 177.228 175.800 -0.255 0.000 1.090 1038 F CA 1.208 59.120 58.000 -0.146 0.000 1.293 1038 F CB -0.391 38.328 39.000 -0.469 0.000 1.013 1038 F HN 0.178 nan 8.300 nan 0.000 0.486 1039 F N -2.213 117.534 119.950 -0.338 0.000 2.387 1039 F HA 0.018 4.544 4.527 -0.003 0.000 0.294 1039 F C 1.348 176.630 175.800 -0.864 0.000 1.093 1039 F CA 0.294 57.709 58.000 -0.974 0.000 1.420 1039 F CB -0.044 38.403 39.000 -0.922 0.000 1.086 1039 F HN -0.113 nan 8.300 nan 0.000 0.531 1040 F N -0.895 119.077 119.950 0.038 0.000 2.784 1040 F HA 0.406 4.932 4.527 -0.002 0.000 0.323 1040 F C 1.386 177.192 175.800 0.010 0.000 1.085 1040 F CA 0.376 58.396 58.000 0.034 0.000 1.196 1040 F CB 0.212 39.244 39.000 0.054 0.000 1.053 1040 F HN 0.003 nan 8.300 nan 0.000 0.578 1041 G N 1.694 110.586 108.800 0.154 0.000 2.509 1041 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.259 1041 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.259 1041 G C -0.326 174.653 174.900 0.132 0.000 1.169 1041 G CA -0.119 45.043 45.100 0.103 0.000 0.953 1041 G HN 0.057 nan 8.290 nan 0.000 0.563 1042 M N 0.671 120.336 119.600 0.108 0.000 2.572 1042 M HA 0.519 4.998 4.480 -0.003 0.000 0.299 1042 M C 0.379 176.712 176.300 0.054 0.000 1.205 1042 M CA -0.813 54.542 55.300 0.092 0.000 0.876 1042 M CB 2.657 35.331 32.600 0.122 0.000 1.728 1042 M HN 0.888 nan 8.290 nan 0.000 0.458 1043 R N 0.936 121.454 120.500 0.030 0.000 2.532 1043 R HA 0.483 4.821 4.340 -0.003 0.000 0.272 1043 R C -0.881 175.420 176.300 0.002 0.000 1.032 1043 R CA -0.641 55.461 56.100 0.004 0.000 1.089 1043 R CB 0.471 30.759 30.300 -0.019 0.000 1.098 1043 R HN 0.641 nan 8.270 nan 0.000 0.526 1044 N N 0.006 118.698 118.700 -0.013 0.000 2.454 1044 N HA 0.139 4.877 4.740 -0.003 0.000 0.260 1044 N C 0.532 176.036 175.510 -0.010 0.000 1.218 1044 N CA 1.222 54.262 53.050 -0.017 0.000 0.904 1044 N CB 0.737 39.207 38.487 -0.029 0.000 1.065 1044 N HN 0.905 nan 8.380 nan 0.000 0.462 1045 G N 0.720 109.519 108.800 -0.002 0.000 2.176 1045 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.253 1045 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.253 1045 G C 0.065 174.974 174.900 0.014 0.000 0.979 1045 G CA -0.114 44.988 45.100 0.004 0.000 0.641 1045 G HN 0.631 nan 8.290 nan 0.000 0.530 1046 E N 0.579 120.792 120.200 0.022 0.000 2.349 1046 E HA 0.552 4.900 4.350 -0.003 0.000 0.265 1046 E C -0.516 176.113 176.600 0.049 0.000 1.064 1046 E CA 0.060 56.477 56.400 0.030 0.000 0.886 1046 E CB 0.641 30.359 29.700 0.029 0.000 1.036 1046 E HN 0.115 nan 8.360 nan 0.000 0.413 1047 T N 2.321 116.901 114.554 0.042 0.000 2.848 1047 T HA 0.408 4.757 4.350 -0.003 0.000 0.285 1047 T C -1.065 173.660 174.700 0.041 0.000 0.995 1047 T CA -0.553 61.575 62.100 0.047 0.000 0.970 1047 T CB 1.369 70.258 68.868 0.037 0.000 0.976 1047 T HN 0.188 nan 8.240 nan 0.000 0.441 1048 V N 3.459 123.400 119.914 0.045 0.000 2.588 1048 V HA 0.422 4.541 4.120 -0.003 0.000 0.304 1048 V C -0.350 175.758 176.094 0.023 0.000 1.042 1048 V CA -0.933 61.387 62.300 0.034 0.000 0.877 1048 V CB 2.067 33.916 31.823 0.044 0.000 0.996 1048 V HN 0.853 nan 8.190 nan 0.000 0.425 1049 E N 4.326 124.535 120.200 0.015 0.000 2.175 1049 E HA 0.564 4.912 4.350 -0.003 0.000 0.278 1049 E C -1.358 175.244 176.600 0.004 0.000 0.969 1049 E CA -0.641 55.764 56.400 0.009 0.000 0.796 1049 E CB 2.240 31.945 29.700 0.009 0.000 1.104 1049 E HN 0.440 nan 8.360 nan 0.000 0.395 1050 I N 2.355 122.925 120.570 -0.000 0.000 2.355 1050 I HA 0.062 4.230 4.170 -0.003 0.000 0.288 1050 I C 0.133 176.246 176.117 -0.005 0.000 0.999 1050 I CA -0.439 60.858 61.300 -0.004 0.000 1.163 1050 I CB 1.417 39.413 38.000 -0.007 0.000 1.316 1050 I HN 0.479 nan 8.210 nan 0.000 0.454 1051 E N 5.352 125.549 120.200 -0.006 0.000 2.081 1051 E HA 0.098 4.446 4.350 -0.003 0.000 0.270 1051 E C 0.666 177.261 176.600 -0.007 0.000 1.180 1051 E CA 0.156 56.553 56.400 -0.005 0.000 0.926 1051 E CB 0.428 30.126 29.700 -0.003 0.000 1.035 1051 E HN 0.531 nan 8.360 nan 0.000 0.418 1052 I N 3.658 124.224 120.570 -0.006 0.000 2.584 1052 I HA 0.066 4.235 4.170 -0.003 0.000 0.255 1052 I C 0.556 176.670 176.117 -0.005 0.000 1.145 1052 I CA 1.040 62.336 61.300 -0.006 0.000 1.462 1052 I CB 0.163 38.159 38.000 -0.006 0.000 1.102 1052 I HN 0.607 nan 8.210 nan 0.000 0.433 1053 D N -0.949 119.448 120.400 -0.005 0.000 2.807 1053 D HA 0.033 4.671 4.640 -0.003 0.000 0.279 1053 D C -1.192 175.105 176.300 -0.005 0.000 1.247 1053 D CA -0.598 53.399 54.000 -0.005 0.000 0.749 1053 D CB 1.104 41.901 40.800 -0.005 0.000 1.264 1053 D HN -0.315 nan 8.370 nan 0.000 0.421 1054 K N 0.784 121.180 120.400 -0.006 0.000 2.437 1054 K HA 0.312 4.631 4.320 -0.003 0.000 0.277 1054 K C 1.086 177.682 176.600 -0.006 0.000 1.073 1054 K CA 1.035 57.318 56.287 -0.006 0.000 1.105 1054 K CB -0.245 32.250 32.500 -0.008 0.000 0.881 1054 K HN 0.726 nan 8.250 nan 0.000 0.475 1055 G N 2.601 111.398 108.800 -0.005 0.000 2.212 1055 G HA2 -0.307 3.651 3.960 -0.003 0.000 0.266 1055 G HA3 -0.307 3.651 3.960 -0.003 0.000 0.266 1055 G C -0.114 174.784 174.900 -0.004 0.000 0.978 1055 G CA 0.666 45.764 45.100 -0.004 0.000 0.632 1055 G HN 0.591 nan 8.290 nan 0.000 0.537 1056 K N 0.567 120.964 120.400 -0.004 0.000 2.358 1056 K HA 0.649 4.967 4.320 -0.003 0.000 0.260 1056 K C 0.003 176.600 176.600 -0.004 0.000 0.956 1056 K CA -0.839 55.445 56.287 -0.005 0.000 0.834 1056 K CB 2.025 34.522 32.500 -0.006 0.000 1.102 1056 K HN 0.658 nan 8.250 nan 0.000 0.431 1057 R N 1.709 122.207 120.500 -0.004 0.000 2.795 1057 R HA 0.499 4.838 4.340 -0.003 0.000 0.275 1057 R C -1.167 175.130 176.300 -0.005 0.000 0.981 1057 R CA -1.159 54.938 56.100 -0.004 0.000 0.917 1057 R CB 1.021 31.321 30.300 -0.001 0.000 1.202 1057 R HN 0.415 nan 8.270 nan 0.000 0.469 1058 L N 2.890 124.108 121.223 -0.007 0.000 2.260 1058 L HA 0.338 4.676 4.340 -0.003 0.000 0.289 1058 L C -0.815 176.050 176.870 -0.009 0.000 1.057 1058 L CA -0.678 54.155 54.840 -0.012 0.000 0.811 1058 L CB 0.987 43.035 42.059 -0.019 0.000 1.184 1058 L HN 0.551 nan 8.230 nan 0.000 0.429 1059 I N 7.173 127.739 120.570 -0.005 0.000 2.307 1059 I HA 0.329 4.497 4.170 -0.003 0.000 0.289 1059 I C -0.019 176.100 176.117 0.004 0.000 1.021 1059 I CA -0.268 61.035 61.300 0.004 0.000 1.224 1059 I CB 0.661 38.667 38.000 0.011 0.000 1.376 1059 I HN 0.468 nan 8.210 nan 0.000 0.470 1060 I N 6.180 126.756 120.570 0.010 0.000 2.436 1060 I HA 0.368 4.536 4.170 -0.003 0.000 0.289 1060 I C 0.036 176.204 176.117 0.084 0.000 1.010 1060 I CA -0.691 60.618 61.300 0.016 0.000 1.098 1060 I CB 2.133 40.106 38.000 -0.045 0.000 1.266 1060 I HN 0.461 nan 8.210 nan 0.000 0.434 1061 K N 7.276 127.758 120.400 0.137 0.000 2.292 1061 K HA 0.523 4.842 4.320 -0.003 0.000 0.257 1061 K C -1.432 175.319 176.600 0.253 0.000 0.940 1061 K CA -0.646 55.732 56.287 0.152 0.000 0.811 1061 K CB 1.939 34.500 32.500 0.101 0.000 1.120 1061 K HN 0.595 nan 8.250 nan 0.000 0.428 1062 L N 5.032 126.368 121.223 0.188 0.000 2.260 1062 L HA 0.192 4.530 4.340 -0.003 0.000 0.289 1062 L C 0.602 177.483 176.870 0.018 0.000 1.057 1062 L CA 0.065 54.952 54.840 0.077 0.000 0.811 1062 L CB 0.918 42.995 42.059 0.032 0.000 1.184 1062 L HN 0.893 nan 8.230 nan 0.000 0.429 1063 E N 2.010 122.209 120.200 -0.001 0.000 2.038 1063 E HA 0.080 4.428 4.350 -0.003 0.000 0.190 1063 E C -0.325 176.250 176.600 -0.041 0.000 0.967 1063 E CA 0.776 57.173 56.400 -0.004 0.000 0.816 1063 E CB 0.386 30.099 29.700 0.022 0.000 0.784 1063 E HN 0.660 nan 8.360 nan 0.000 0.456 1064 T N -0.388 114.140 114.554 -0.044 0.000 2.821 1064 T HA 0.517 4.866 4.350 -0.003 0.000 0.306 1064 T C -0.761 173.932 174.700 -0.011 0.000 1.313 1064 T CA -0.726 61.340 62.100 -0.056 0.000 1.012 1064 T CB 1.613 70.406 68.868 -0.124 0.000 1.298 1064 T HN -0.043 nan 8.240 nan 0.000 0.502 1065 I N 2.083 122.641 120.570 -0.019 0.000 2.465 1065 I HA 0.452 4.620 4.170 -0.003 0.000 0.291 1065 I C 0.790 176.922 176.117 0.025 0.000 1.014 1065 I CA -0.761 60.540 61.300 0.001 0.000 1.093 1065 I CB 2.136 40.116 38.000 -0.034 0.000 1.267 1065 I HN 0.859 nan 8.210 nan 0.000 0.431 1066 S N 5.061 120.806 115.700 0.075 0.000 2.661 1066 S HA 0.352 4.820 4.470 -0.003 0.000 0.265 1066 S C 0.085 174.707 174.600 0.037 0.000 1.225 1066 S CA -0.721 57.520 58.200 0.069 0.000 0.986 1066 S CB 0.969 64.254 63.200 0.141 0.000 1.008 1066 S HN 0.472 nan 8.310 nan 0.000 0.565 1067 E N 1.604 121.824 120.200 0.034 0.000 2.404 1067 E HA 0.312 4.660 4.350 -0.003 0.000 0.261 1067 E C -2.380 174.244 176.600 0.041 0.000 1.074 1067 E CA -1.911 54.507 56.400 0.029 0.000 0.917 1067 E CB -0.215 29.499 29.700 0.024 0.000 0.965 1067 E HN 0.456 nan 8.360 nan 0.000 0.433 1068 P HA 0.017 nan 4.420 nan 0.000 0.276 1068 P C -0.426 176.903 177.300 0.049 0.000 1.235 1068 P CA -0.246 62.881 63.100 0.044 0.000 0.772 1068 P CB 0.436 32.156 31.700 0.034 0.000 0.871 1069 D N 1.555 121.994 120.400 0.065 0.000 2.325 1069 D HA -0.026 4.612 4.640 -0.003 0.000 0.262 1069 D C 0.714 177.039 176.300 0.043 0.000 1.263 1069 D CA -0.087 53.950 54.000 0.061 0.000 1.020 1069 D CB -0.029 40.819 40.800 0.081 0.000 1.117 1069 D HN 0.332 nan 8.370 nan 0.000 0.545 1070 E N -1.585 118.637 120.200 0.036 0.000 2.472 1070 E HA -0.068 4.280 4.350 -0.003 0.000 0.200 1070 E C 0.229 176.842 176.600 0.021 0.000 1.046 1070 E CA 0.593 57.009 56.400 0.026 0.000 0.871 1070 E CB -0.397 29.317 29.700 0.022 0.000 0.806 1070 E HN 0.420 nan 8.360 nan 0.000 0.533 1071 N N -0.709 118.006 118.700 0.025 0.000 2.282 1071 N HA 0.151 4.889 4.740 -0.003 0.000 0.240 1071 N C 0.279 175.805 175.510 0.027 0.000 1.182 1071 N CA 0.113 53.175 53.050 0.019 0.000 0.874 1071 N CB 1.647 40.138 38.487 0.008 0.000 1.126 1071 N HN 0.091 nan 8.380 nan 0.000 0.516 1072 G N 1.194 110.014 108.800 0.033 0.000 2.203 1072 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.263 1072 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.263 1072 G C -0.569 174.362 174.900 0.052 0.000 1.012 1072 G CA -0.155 44.967 45.100 0.037 0.000 0.749 1072 G HN 0.330 nan 8.290 nan 0.000 0.512 1073 N N 0.673 119.416 118.700 0.073 0.000 2.457 1073 N HA 0.353 5.092 4.740 -0.003 0.000 0.250 1073 N C 0.480 176.069 175.510 0.132 0.000 0.982 1073 N CA -0.227 52.894 53.050 0.119 0.000 0.941 1073 N CB 0.757 39.335 38.487 0.152 0.000 1.120 1073 N HN 0.453 nan 8.380 nan 0.000 0.505 1074 R N 0.754 121.308 120.500 0.090 0.000 2.410 1074 R HA 0.369 4.707 4.340 -0.003 0.000 0.288 1074 R C -0.113 176.176 176.300 -0.019 0.000 1.051 1074 R CA -0.367 55.761 56.100 0.046 0.000 1.021 1074 R CB 0.662 30.974 30.300 0.021 0.000 1.032 1074 R HN 0.277 nan 8.270 nan 0.000 0.481 1075 T N 3.863 118.371 114.554 -0.078 0.000 2.767 1075 T HA 0.371 4.719 4.350 -0.003 0.000 0.288 1075 T C 0.474 175.034 174.700 -0.233 0.000 0.963 1075 T CA -0.448 61.458 62.100 -0.323 0.000 1.019 1075 T CB 0.590 69.227 68.868 -0.385 0.000 0.923 1075 T HN 0.333 nan 8.240 nan 0.000 0.468 1076 I N 3.473 123.832 120.570 -0.351 0.000 2.336 1076 I HA 0.296 4.464 4.170 -0.003 0.000 0.292 1076 I C -0.789 175.075 176.117 -0.423 0.000 0.991 1076 I CA -0.951 60.153 61.300 -0.326 0.000 1.227 1076 I CB 0.873 38.607 38.000 -0.444 0.000 1.366 1076 I HN 0.581 nan 8.210 nan 0.000 0.466 1077 Y N 6.187 126.307 120.300 -0.300 0.000 2.404 1077 Y HA 0.404 4.953 4.550 -0.003 0.000 0.344 1077 Y C -0.355 175.444 175.900 -0.168 0.000 0.970 1077 Y CA -0.374 57.623 58.100 -0.172 0.000 1.180 1077 Y CB 0.374 38.771 38.460 -0.105 0.000 1.138 1077 Y HN 0.378 nan 8.280 nan 0.000 0.510 1078 Y N 0.831 121.173 120.300 0.071 0.000 2.567 1078 Y HA 0.758 5.307 4.550 -0.003 0.000 0.333 1078 Y C -0.161 175.771 175.900 0.053 0.000 1.106 1078 Y CA -1.497 56.633 58.100 0.050 0.000 1.157 1078 Y CB 1.939 40.411 38.460 0.020 0.000 1.277 1078 Y HN 0.512 nan 8.280 nan 0.000 0.490 1079 A N 3.576 126.554 122.820 0.265 0.000 2.483 1079 A HA 0.501 4.820 4.320 -0.003 0.000 0.308 1079 A C -0.962 176.677 177.584 0.091 0.000 1.291 1079 A CA -0.581 51.542 52.037 0.144 0.000 0.774 1079 A CB 0.204 19.269 19.000 0.109 0.000 1.134 1079 A HN 0.712 nan 8.150 nan 0.000 0.471 1080 M N 2.433 122.064 119.600 0.052 0.000 2.113 1080 M HA 0.212 4.690 4.480 -0.003 0.000 0.352 1080 M C -0.181 176.126 176.300 0.013 0.000 1.170 1080 M CA -0.365 54.937 55.300 0.004 0.000 1.053 1080 M CB 0.681 33.260 32.600 -0.036 0.000 1.601 1080 M HN 0.764 nan 8.290 nan 0.000 0.459 1081 N N 3.215 121.920 118.700 0.008 0.000 2.689 1081 N HA -0.201 4.537 4.740 -0.003 0.000 0.263 1081 N C 0.796 176.316 175.510 0.016 0.000 0.987 1081 N CA 1.401 54.456 53.050 0.009 0.000 0.782 1081 N CB -1.317 37.170 38.487 -0.000 0.000 0.903 1081 N HN 1.159 nan 8.380 nan 0.000 0.547 1082 G N -1.239 107.576 108.800 0.025 0.000 2.212 1082 G HA2 -0.382 3.577 3.960 -0.003 0.000 0.266 1082 G HA3 -0.382 3.577 3.960 -0.003 0.000 0.266 1082 G C -0.059 174.864 174.900 0.038 0.000 0.978 1082 G CA 0.805 45.923 45.100 0.030 0.000 0.632 1082 G HN 0.678 nan 8.290 nan 0.000 0.537 1083 Q N 0.482 120.306 119.800 0.040 0.000 2.282 1083 Q HA 0.701 5.039 4.340 -0.003 0.000 0.260 1083 Q C 0.501 176.542 176.000 0.069 0.000 0.964 1083 Q CA -0.117 55.716 55.803 0.051 0.000 0.880 1083 Q CB 1.344 30.107 28.738 0.040 0.000 1.286 1083 Q HN 0.781 nan 8.270 nan 0.000 0.445 1084 A N 3.238 126.107 122.820 0.083 0.000 2.425 1084 A HA 0.487 4.805 4.320 -0.003 0.000 0.242 1084 A C -0.337 177.307 177.584 0.100 0.000 1.077 1084 A CA 0.071 52.169 52.037 0.102 0.000 0.781 1084 A CB 0.459 19.523 19.000 0.107 0.000 1.020 1084 A HN 0.755 nan 8.150 nan 0.000 0.494 1085 R N -0.066 120.500 120.500 0.110 0.000 2.633 1085 R HA 0.425 4.763 4.340 -0.003 0.000 0.256 1085 R C -1.362 174.977 176.300 0.064 0.000 1.131 1085 R CA -0.185 55.972 56.100 0.095 0.000 0.994 1085 R CB 1.180 31.546 30.300 0.109 0.000 1.261 1085 R HN 0.882 nan 8.270 nan 0.000 0.446 1086 R N 4.239 124.722 120.500 -0.028 0.000 2.740 1086 R HA 0.663 5.001 4.340 -0.003 0.000 0.282 1086 R C -0.503 175.704 176.300 -0.155 0.000 0.969 1086 R CA -0.988 54.979 56.100 -0.222 0.000 0.918 1086 R CB 1.745 31.811 30.300 -0.390 0.000 1.175 1086 R HN 0.322 nan 8.270 nan 0.000 0.464 1087 I N 1.699 122.111 120.570 -0.263 0.000 2.969 1087 I HA 0.349 4.518 4.170 -0.003 0.000 0.307 1087 I C -1.086 174.823 176.117 -0.347 0.000 1.149 1087 I CA -0.961 60.264 61.300 -0.125 0.000 1.008 1087 I CB 2.081 40.154 38.000 0.122 0.000 1.232 1087 I HN 0.580 nan 8.210 nan 0.000 0.435 1088 Y N 3.949 124.255 120.300 0.010 0.000 2.341 1088 Y HA 0.613 5.161 4.550 -0.003 0.000 0.338 1088 Y C -0.274 175.641 175.900 0.025 0.000 0.965 1088 Y CA -0.580 57.522 58.100 0.002 0.000 1.108 1088 Y CB 1.967 40.426 38.460 -0.002 0.000 1.180 1088 Y HN 0.258 nan 8.280 nan 0.000 0.458 1089 I N 3.191 123.847 120.570 0.143 0.000 2.545 1089 I HA 0.297 4.465 4.170 -0.003 0.000 0.292 1089 I C -0.631 175.539 176.117 0.089 0.000 1.040 1089 I CA -1.035 60.327 61.300 0.105 0.000 1.068 1089 I CB 1.962 40.003 38.000 0.068 0.000 1.251 1089 I HN 0.371 nan 8.210 nan 0.000 0.424 1090 K N 4.505 124.950 120.400 0.075 0.000 2.379 1090 K HA 0.100 4.418 4.320 -0.003 0.000 0.284 1090 K C -0.428 176.196 176.600 0.041 0.000 1.044 1090 K CA 0.026 56.346 56.287 0.055 0.000 0.974 1090 K CB 0.382 32.908 32.500 0.044 0.000 0.962 1090 K HN 0.413 nan 8.250 nan 0.000 0.474 1091 D N 4.103 124.525 120.400 0.036 0.000 2.325 1091 D HA 0.014 4.652 4.640 -0.003 0.000 0.251 1091 D C -0.418 175.894 176.300 0.021 0.000 1.196 1091 D CA 0.026 54.041 54.000 0.025 0.000 0.866 1091 D CB 0.827 41.641 40.800 0.024 0.000 1.101 1091 D HN 0.634 nan 8.370 nan 0.000 0.476 1092 E N 2.952 123.161 120.200 0.016 0.000 2.441 1092 E HA 0.011 4.360 4.350 -0.003 0.000 0.210 1092 E C -0.452 176.155 176.600 0.012 0.000 1.306 1092 E CA -0.018 56.390 56.400 0.014 0.000 1.307 1092 E CB -0.285 29.421 29.700 0.010 0.000 1.297 1092 E HN 0.502 nan 8.360 nan 0.000 0.440 1102 P HA -0.015 nan 4.420 nan 0.000 0.264 1102 P C -1.006 176.274 177.300 -0.033 0.000 1.179 1102 P CA 0.186 63.270 63.100 -0.027 0.000 0.763 1102 P CB 0.320 32.003 31.700 -0.030 0.000 0.806 1103 K N 1.098 121.472 120.400 -0.043 0.000 2.488 1103 K HA 0.786 5.104 4.320 -0.003 0.000 0.255 1103 K C -0.035 176.516 176.600 -0.082 0.000 1.036 1103 K CA -1.019 55.239 56.287 -0.048 0.000 0.990 1103 K CB 0.463 32.938 32.500 -0.042 0.000 1.304 1103 K HN 0.491 nan 8.250 nan 0.000 0.505 1104 A N -0.439 122.332 122.820 -0.082 0.000 2.507 1104 A HA 0.425 4.743 4.320 -0.003 0.000 0.284 1104 A C -1.658 175.867 177.584 -0.098 0.000 1.281 1104 A CA -0.645 51.313 52.037 -0.132 0.000 0.744 1104 A CB 1.307 20.268 19.000 -0.064 0.000 1.332 1104 A HN 0.798 nan 8.150 nan 0.000 0.454 1105 D N 0.055 120.422 120.400 -0.055 0.000 2.649 1105 D HA 0.353 4.991 4.640 -0.003 0.000 0.249 1105 D C -1.209 175.168 176.300 0.129 0.000 1.112 1105 D CA -0.244 53.800 54.000 0.073 0.000 0.850 1105 D CB 1.588 42.492 40.800 0.174 0.000 1.399 1105 D HN 0.455 nan 8.370 nan 0.000 0.503 1106 K N 2.624 123.072 120.400 0.080 0.000 3.022 1106 K HA 0.230 4.548 4.320 -0.003 0.000 0.178 1106 K C -0.073 176.560 176.600 0.056 0.000 1.089 1106 K CA -0.187 56.141 56.287 0.068 0.000 0.916 1106 K CB 0.104 32.633 32.500 0.047 0.000 1.159 1106 K HN 0.474 nan 8.250 nan 0.000 0.592 1107 S N -0.303 115.435 115.700 0.064 0.000 4.772 1107 S HA 0.122 4.590 4.470 -0.003 0.000 0.177 1107 S C 0.866 175.491 174.600 0.041 0.000 1.117 1107 S CA -0.428 57.800 58.200 0.047 0.000 1.250 1107 S CB -0.039 63.185 63.200 0.041 0.000 1.749 1107 S HN 0.321 nan 8.310 nan 0.000 0.589 1108 N N 2.228 120.953 118.700 0.042 0.000 2.660 1108 N HA 0.336 5.074 4.740 -0.003 0.000 0.231 1108 N C -2.129 173.365 175.510 -0.027 0.000 1.022 1108 N CA 0.173 53.233 53.050 0.016 0.000 1.178 1108 N CB -0.956 37.540 38.487 0.015 0.000 1.536 1108 N HN 0.349 nan 8.380 nan 0.000 0.582 1109 P HA 0.222 nan 4.420 nan 0.000 0.277 1109 P C -0.890 176.178 177.300 -0.385 0.000 1.240 1109 P CA -0.012 62.931 63.100 -0.263 0.000 0.798 1109 P CB 0.760 32.245 31.700 -0.359 0.000 0.979 1110 S N 0.757 116.227 115.700 -0.383 0.000 3.900 1110 S HA 0.105 4.573 4.470 -0.003 0.000 0.248 1110 S C 0.040 174.476 174.600 -0.273 0.000 1.310 1110 S CA -0.139 57.912 58.200 -0.248 0.000 0.915 1110 S CB -1.291 61.751 63.200 -0.263 0.000 1.588 1110 S HN 0.427 nan 8.310 nan 0.000 0.472 1111 H N 0.621 119.693 119.070 0.003 0.000 2.500 1111 H HA 0.521 5.076 4.556 -0.003 0.000 0.351 1111 H C 0.025 175.368 175.328 0.025 0.000 1.281 1111 H CA -0.830 55.223 56.048 0.007 0.000 1.368 1111 H CB 0.796 30.560 29.762 0.004 0.000 1.616 1111 H HN 0.324 nan 8.280 nan 0.000 0.591 1112 I N 1.512 122.181 120.570 0.165 0.000 2.437 1112 I HA 0.282 4.450 4.170 -0.003 0.000 0.279 1112 I C 0.341 176.503 176.117 0.075 0.000 1.028 1112 I CA -0.319 61.040 61.300 0.099 0.000 1.142 1112 I CB 1.131 39.174 38.000 0.073 0.000 1.266 1112 I HN 0.618 nan 8.210 nan 0.000 0.461 1113 G N 4.268 113.109 108.800 0.068 0.000 2.377 1113 G HA2 0.618 4.577 3.960 -0.003 0.000 0.299 1113 G HA3 0.618 4.577 3.960 -0.003 0.000 0.299 1113 G C 0.006 174.925 174.900 0.031 0.000 1.150 1113 G CA -0.449 44.675 45.100 0.040 0.000 0.847 1113 G HN 0.697 nan 8.290 nan 0.000 0.501 1114 A N 1.528 124.360 122.820 0.020 0.000 2.511 1114 A HA 0.374 4.692 4.320 -0.003 0.000 0.242 1114 A C 0.888 178.482 177.584 0.017 0.000 1.069 1114 A CA 0.183 52.231 52.037 0.017 0.000 0.763 1114 A CB 0.515 19.522 19.000 0.012 0.000 1.001 1114 A HN 0.775 nan 8.150 nan 0.000 0.498 1115 Q N 0.415 120.225 119.800 0.016 0.000 2.369 1115 Q HA 0.209 4.547 4.340 -0.003 0.000 0.254 1115 Q C -0.200 175.807 176.000 0.012 0.000 0.858 1115 Q CA 0.482 56.294 55.803 0.016 0.000 0.961 1115 Q CB 0.312 29.060 28.738 0.017 0.000 1.119 1115 Q HN 0.928 nan 8.270 nan 0.000 0.538 1116 M N 0.502 120.108 119.600 0.011 0.000 2.253 1116 M HA 0.581 5.060 4.480 -0.003 0.000 0.314 1116 M C -2.662 173.643 176.300 0.008 0.000 1.019 1116 M CA -2.331 52.974 55.300 0.009 0.000 0.932 1116 M CB 1.609 34.214 32.600 0.008 0.000 1.606 1116 M HN -0.303 nan 8.290 nan 0.000 0.430 1117 P HA 0.552 nan 4.420 nan 0.000 0.282 1117 P C -0.326 176.977 177.300 0.006 0.000 1.262 1117 P CA 0.285 63.389 63.100 0.006 0.000 0.773 1117 P CB 1.368 33.072 31.700 0.006 0.000 0.879 1118 G N 1.622 110.425 108.800 0.006 0.000 2.512 1118 G HA2 0.395 4.353 3.960 -0.003 0.000 0.186 1118 G HA3 0.395 4.353 3.960 -0.003 0.000 0.186 1118 G C -1.419 173.484 174.900 0.005 0.000 1.189 1118 G CA -0.336 44.767 45.100 0.005 0.000 0.994 1118 G HN 0.417 nan 8.290 nan 0.000 0.506 1119 S N -0.860 114.843 115.700 0.005 0.000 2.536 1119 S HA 0.664 5.132 4.470 -0.003 0.000 0.298 1119 S C -0.347 174.257 174.600 0.006 0.000 1.083 1119 S CA -0.465 57.738 58.200 0.005 0.000 0.995 1119 S CB 1.984 65.187 63.200 0.005 0.000 1.058 1119 S HN 0.689 nan 8.310 nan 0.000 0.488 1120 V N 2.849 122.766 119.914 0.006 0.000 2.461 1120 V HA 0.214 4.332 4.120 -0.003 0.000 0.275 1120 V C 0.884 176.981 176.094 0.006 0.000 1.047 1120 V CA 0.054 62.358 62.300 0.007 0.000 0.955 1120 V CB 0.878 32.705 31.823 0.007 0.000 0.988 1120 V HN 1.075 nan 8.190 nan 0.000 0.471 1121 T N 3.071 117.629 114.554 0.006 0.000 3.004 1121 T HA 0.132 4.480 4.350 -0.003 0.000 0.243 1121 T C 0.484 175.188 174.700 0.006 0.000 1.020 1121 T CA 0.371 62.475 62.100 0.006 0.000 1.145 1121 T CB 0.343 69.215 68.868 0.006 0.000 0.876 1121 T HN 0.694 nan 8.240 nan 0.000 0.449 1122 E N 0.420 120.624 120.200 0.007 0.000 2.331 1122 E HA 0.533 4.881 4.350 -0.003 0.000 0.275 1122 E C -1.961 174.644 176.600 0.008 0.000 0.895 1122 E CA -0.581 55.823 56.400 0.007 0.000 0.753 1122 E CB 2.796 32.500 29.700 0.007 0.000 1.216 1122 E HN 0.009 nan 8.360 nan 0.000 0.434 1123 V N 5.138 125.057 119.914 0.008 0.000 2.409 1123 V HA 0.400 4.519 4.120 -0.003 0.000 0.291 1123 V C -0.143 175.957 176.094 0.009 0.000 1.020 1123 V CA -0.052 62.254 62.300 0.009 0.000 0.848 1123 V CB 1.354 33.182 31.823 0.009 0.000 0.990 1123 V HN 0.800 nan 8.190 nan 0.000 0.430 1124 K N 3.845 124.251 120.400 0.010 0.000 2.313 1124 K HA 0.241 4.559 4.320 -0.003 0.000 0.197 1124 K C 0.297 176.904 176.600 0.011 0.000 1.061 1124 K CA 0.809 57.102 56.287 0.010 0.000 0.980 1124 K CB 1.001 33.507 32.500 0.010 0.000 0.888 1124 K HN 0.714 nan 8.250 nan 0.000 0.502 1125 V N -0.099 119.823 119.914 0.012 0.000 2.432 1125 V HA 0.325 4.444 4.120 -0.003 0.000 0.275 1125 V C 0.338 176.439 176.094 0.012 0.000 1.043 1125 V CA -0.757 61.551 62.300 0.013 0.000 0.925 1125 V CB 1.523 33.356 31.823 0.017 0.000 0.985 1125 V HN -0.006 nan 8.190 nan 0.000 0.466 1126 S N 2.943 118.650 115.700 0.011 0.000 2.607 1126 S HA 0.431 4.899 4.470 -0.003 0.000 0.272 1126 S C 1.122 175.728 174.600 0.010 0.000 1.166 1126 S CA 0.088 58.294 58.200 0.010 0.000 1.021 1126 S CB 1.517 64.722 63.200 0.008 0.000 1.113 1126 S HN 0.657 nan 8.310 nan 0.000 0.531 1127 V N 0.502 120.421 119.914 0.009 0.000 2.255 1127 V HA 0.176 4.295 4.120 -0.003 0.000 0.243 1127 V C 1.376 177.475 176.094 0.008 0.000 1.038 1127 V CA 1.585 63.890 62.300 0.009 0.000 1.008 1127 V CB -1.017 30.810 31.823 0.007 0.000 0.645 1127 V HN 0.852 nan 8.190 nan 0.000 0.449 1128 G N 0.669 109.473 108.800 0.007 0.000 2.603 1128 G HA2 0.595 4.553 3.960 -0.003 0.000 0.324 1128 G HA3 0.595 4.553 3.960 -0.003 0.000 0.324 1128 G C -0.723 174.182 174.900 0.007 0.000 1.178 1128 G CA -0.001 45.103 45.100 0.007 0.000 1.023 1128 G HN 0.352 nan 8.290 nan 0.000 0.482 1129 E N 1.645 121.850 120.200 0.008 0.000 2.363 1129 E HA 0.335 4.684 4.350 -0.003 0.000 0.281 1129 E C -0.735 175.872 176.600 0.011 0.000 0.953 1129 E CA -0.635 55.770 56.400 0.009 0.000 0.778 1129 E CB 1.607 31.313 29.700 0.010 0.000 1.220 1129 E HN 0.325 nan 8.360 nan 0.000 0.431 1130 T N 1.619 116.180 114.554 0.011 0.000 2.897 1130 T HA 0.413 4.761 4.350 -0.003 0.000 0.294 1130 T C -0.489 174.221 174.700 0.017 0.000 1.004 1130 T CA -0.409 61.700 62.100 0.013 0.000 1.106 1130 T CB 1.067 69.942 68.868 0.012 0.000 0.949 1130 T HN 0.182 nan 8.240 nan 0.000 0.520 1131 V N 3.259 123.186 119.914 0.022 0.000 2.686 1131 V HA 0.420 4.538 4.120 -0.003 0.000 0.306 1131 V C -0.082 176.031 176.094 0.032 0.000 1.065 1131 V CA -0.918 61.398 62.300 0.026 0.000 0.894 1131 V CB 2.231 34.072 31.823 0.030 0.000 1.004 1131 V HN 0.773 nan 8.190 nan 0.000 0.424 1132 K N 1.975 122.391 120.400 0.028 0.000 2.502 1132 K HA 0.847 5.166 4.320 -0.003 0.000 0.252 1132 K C 0.104 176.720 176.600 0.028 0.000 1.043 1132 K CA -0.500 55.804 56.287 0.028 0.000 0.999 1132 K CB 1.177 33.688 32.500 0.018 0.000 1.343 1132 K HN 0.785 nan 8.250 nan 0.000 0.513 1133 A N 1.327 124.158 122.820 0.018 0.000 2.483 1133 A HA 0.050 4.368 4.320 -0.003 0.000 0.238 1133 A C 0.309 177.893 177.584 0.001 0.000 1.070 1133 A CA 0.082 52.121 52.037 0.005 0.000 0.770 1133 A CB -0.284 18.708 19.000 -0.013 0.000 1.008 1133 A HN 0.888 nan 8.150 nan 0.000 0.497 1134 N N -1.200 117.498 118.700 -0.004 0.000 2.857 1134 N HA -0.199 4.540 4.740 -0.003 0.000 0.242 1134 N C 0.234 175.748 175.510 0.006 0.000 0.983 1134 N CA 1.782 54.830 53.050 -0.003 0.000 0.934 1134 N CB -1.053 37.429 38.487 -0.009 0.000 1.115 1134 N HN 0.898 nan 8.380 nan 0.000 0.593 1135 Q N 2.581 122.388 119.800 0.012 0.000 2.263 1135 Q HA 0.144 4.483 4.340 -0.003 0.000 0.289 1135 Q C -2.204 173.805 176.000 0.015 0.000 1.061 1135 Q CA -0.765 55.046 55.803 0.014 0.000 0.927 1135 Q CB 0.706 29.455 28.738 0.017 0.000 1.154 1135 Q HN 0.214 nan 8.270 nan 0.000 0.378 1136 P HA -0.065 nan 4.420 nan 0.000 0.268 1136 P C -0.524 176.785 177.300 0.016 0.000 1.205 1136 P CA 0.589 63.697 63.100 0.013 0.000 0.771 1136 P CB 0.787 32.493 31.700 0.010 0.000 0.858 1137 L N 1.117 122.350 121.223 0.017 0.000 2.713 1137 L HA 0.353 4.691 4.340 -0.003 0.000 0.223 1137 L C 0.369 177.249 176.870 0.017 0.000 1.040 1137 L CA 0.181 55.032 54.840 0.019 0.000 0.894 1137 L CB 0.122 42.195 42.059 0.024 0.000 1.361 1137 L HN 0.192 nan 8.230 nan 0.000 0.490 1138 L N 0.925 122.157 121.223 0.016 0.000 2.528 1138 L HA 0.510 4.848 4.340 -0.003 0.000 0.267 1138 L C -1.103 175.775 176.870 0.013 0.000 0.961 1138 L CA -0.069 54.780 54.840 0.015 0.000 0.866 1138 L CB 2.099 44.168 42.059 0.017 0.000 1.248 1138 L HN -0.045 nan 8.230 nan 0.000 0.404 1139 I N 3.877 124.453 120.570 0.011 0.000 2.291 1139 I HA 0.393 4.562 4.170 -0.003 0.000 0.290 1139 I C 0.027 176.149 176.117 0.009 0.000 1.050 1139 I CA -0.193 61.112 61.300 0.009 0.000 1.245 1139 I CB 1.173 39.178 38.000 0.008 0.000 1.405 1139 I HN 0.618 nan 8.210 nan 0.000 0.478 1140 T N 1.736 116.295 114.554 0.009 0.000 2.856 1140 T HA 0.562 4.910 4.350 -0.003 0.000 0.283 1140 T C -0.658 174.046 174.700 0.008 0.000 1.008 1140 T CA -0.862 61.243 62.100 0.008 0.000 0.997 1140 T CB 2.505 71.378 68.868 0.010 0.000 0.992 1140 T HN 0.551 nan 8.240 nan 0.000 0.454 1141 E N 0.679 120.883 120.200 0.007 0.000 2.248 1141 E HA 0.648 4.996 4.350 -0.003 0.000 0.267 1141 E C -0.371 176.232 176.600 0.006 0.000 0.877 1141 E CA -0.957 55.447 56.400 0.006 0.000 0.759 1141 E CB 1.952 31.655 29.700 0.005 0.000 1.182 1141 E HN 0.906 nan 8.360 nan 0.000 0.418 1142 A N 3.942 126.765 122.820 0.005 0.000 3.847 1142 A HA 0.364 4.683 4.320 -0.003 0.000 0.152 1142 A C 0.926 178.513 177.584 0.004 0.000 1.527 1142 A CA -0.328 51.712 52.037 0.005 0.000 1.022 1142 A CB 0.106 19.109 19.000 0.005 0.000 1.715 1142 A HN 0.826 nan 8.150 nan 0.000 0.650 1143 M N -1.418 118.185 119.600 0.004 0.000 2.095 1143 M HA 0.049 4.527 4.480 -0.003 0.000 0.257 1143 M C 0.300 176.602 176.300 0.004 0.000 1.089 1143 M CA 1.386 56.688 55.300 0.004 0.000 1.138 1143 M CB -0.000 32.602 32.600 0.004 0.000 1.303 1143 M HN 0.373 nan 8.290 nan 0.000 0.422 1144 K N 0.069 120.471 120.400 0.004 0.000 2.861 1144 K HA 0.386 4.704 4.320 -0.003 0.000 0.210 1144 K C -0.800 175.803 176.600 0.004 0.000 1.112 1144 K CA 0.094 56.383 56.287 0.003 0.000 1.076 1144 K CB 0.666 33.167 32.500 0.003 0.000 0.853 1144 K HN 0.384 nan 8.250 nan 0.000 0.463 1145 M N 0.536 120.138 119.600 0.004 0.000 2.446 1145 M HA 0.267 4.745 4.480 -0.003 0.000 0.294 1145 M C -1.802 174.501 176.300 0.005 0.000 1.158 1145 M CA -0.321 54.982 55.300 0.005 0.000 0.899 1145 M CB 2.766 35.369 32.600 0.005 0.000 1.687 1145 M HN 0.081 nan 8.290 nan 0.000 0.455 1146 E N 2.491 122.694 120.200 0.005 0.000 2.409 1146 E HA 0.301 4.649 4.350 -0.003 0.000 0.259 1146 E C -1.504 175.100 176.600 0.006 0.000 0.932 1146 E CA -0.383 56.020 56.400 0.006 0.000 0.809 1146 E CB 1.346 31.049 29.700 0.005 0.000 1.341 1146 E HN 0.676 nan 8.360 nan 0.000 0.405 1147 T N 1.001 115.560 114.554 0.007 0.000 2.853 1147 T HA 0.271 4.619 4.350 -0.003 0.000 0.317 1147 T C 0.241 174.947 174.700 0.009 0.000 1.059 1147 T CA -0.802 61.303 62.100 0.008 0.000 0.954 1147 T CB 0.684 69.558 68.868 0.010 0.000 0.994 1147 T HN 0.314 nan 8.240 nan 0.000 0.479 1148 T N 2.175 116.734 114.554 0.009 0.000 2.727 1148 T HA 0.464 4.812 4.350 -0.003 0.000 0.295 1148 T C 0.336 175.043 174.700 0.012 0.000 0.915 1148 T CA -0.814 61.292 62.100 0.010 0.000 1.066 1148 T CB -0.371 68.502 68.868 0.008 0.000 0.891 1148 T HN 0.622 nan 8.240 nan 0.000 0.516 1149 I N 3.696 124.275 120.570 0.015 0.000 2.517 1149 I HA 0.086 4.255 4.170 -0.003 0.000 0.285 1149 I C 1.186 177.315 176.117 0.019 0.000 1.106 1149 I CA -0.043 61.268 61.300 0.019 0.000 1.402 1149 I CB 0.464 38.478 38.000 0.023 0.000 1.399 1149 I HN 0.644 nan 8.210 nan 0.000 0.535 1150 Q N 4.283 124.095 119.800 0.019 0.000 2.173 1150 Q HA 0.683 5.022 4.340 -0.003 0.000 0.186 1150 Q C -0.312 175.705 176.000 0.027 0.000 1.018 1150 Q CA -0.955 54.859 55.803 0.018 0.000 1.064 1150 Q CB 1.065 29.809 28.738 0.010 0.000 1.130 1150 Q HN 0.755 nan 8.270 nan 0.000 0.553 1151 A N 1.383 124.218 122.820 0.026 0.000 2.258 1151 A HA 0.363 4.682 4.320 -0.003 0.000 0.316 1151 A C -2.015 175.590 177.584 0.034 0.000 1.279 1151 A CA -1.389 50.673 52.037 0.043 0.000 0.876 1151 A CB 0.432 19.458 19.000 0.044 0.000 1.170 1151 A HN 0.457 nan 8.150 nan 0.000 0.520 1152 P HA 0.055 nan 4.420 nan 0.000 0.224 1152 P C 0.201 177.444 177.300 -0.094 0.000 1.157 1152 P CA 0.943 64.047 63.100 0.008 0.000 0.799 1152 P CB 0.233 31.988 31.700 0.093 0.000 0.809 1153 F N -0.629 119.317 119.950 -0.007 0.000 3.036 1153 F HA 0.514 5.040 4.527 -0.003 0.000 0.274 1153 F C 0.151 175.948 175.800 -0.006 0.000 1.474 1153 F CA -0.412 57.582 58.000 -0.009 0.000 0.987 1153 F CB 0.506 39.498 39.000 -0.014 0.000 1.877 1153 F HN -0.356 nan 8.300 nan 0.000 0.421 1154 D N -0.101 120.467 120.400 0.280 0.000 2.312 1154 D HA 0.454 5.092 4.640 -0.003 0.000 0.229 1154 D C -0.612 175.753 176.300 0.108 0.000 1.337 1154 D CA 0.290 54.372 54.000 0.137 0.000 0.964 1154 D CB 0.894 41.752 40.800 0.097 0.000 1.456 1154 D HN 0.671 nan 8.370 nan 0.000 0.547 1155 G N 0.331 109.174 108.800 0.072 0.000 2.588 1155 G HA2 0.470 4.428 3.960 -0.003 0.000 0.281 1155 G HA3 0.470 4.428 3.960 -0.003 0.000 0.281 1155 G C -1.442 173.471 174.900 0.022 0.000 1.223 1155 G CA -0.285 44.837 45.100 0.035 0.000 0.871 1155 G HN 0.173 nan 8.290 nan 0.000 0.492 1156 V N 0.873 120.792 119.914 0.007 0.000 2.513 1156 V HA 0.485 4.604 4.120 -0.003 0.000 0.299 1156 V C 0.084 176.180 176.094 0.003 0.000 1.035 1156 V CA -0.579 61.724 62.300 0.006 0.000 0.889 1156 V CB 1.499 33.322 31.823 0.002 0.000 0.988 1156 V HN 0.583 nan 8.190 nan 0.000 0.440 1157 I N 4.289 124.864 120.570 0.009 0.000 2.556 1157 I HA 0.190 4.358 4.170 -0.003 0.000 0.284 1157 I C 1.316 177.438 176.117 0.008 0.000 1.114 1157 I CA 0.040 61.346 61.300 0.011 0.000 1.418 1157 I CB 0.494 38.502 38.000 0.015 0.000 1.394 1157 I HN 0.610 nan 8.210 nan 0.000 0.552 1158 K N 4.728 125.133 120.400 0.010 0.000 2.141 1158 K HA 0.096 4.415 4.320 -0.003 0.000 0.202 1158 K C 0.274 176.883 176.600 0.014 0.000 1.045 1158 K CA 0.884 57.177 56.287 0.010 0.000 0.971 1158 K CB 0.251 32.758 32.500 0.012 0.000 0.795 1158 K HN 0.814 nan 8.250 nan 0.000 0.459 1159 Q N -0.813 118.998 119.800 0.019 0.000 2.575 1159 Q HA 0.457 4.795 4.340 -0.003 0.000 0.290 1159 Q C -1.412 174.600 176.000 0.019 0.000 0.963 1159 Q CA -0.856 54.958 55.803 0.017 0.000 0.783 1159 Q CB 1.972 30.719 28.738 0.016 0.000 1.467 1159 Q HN -0.208 nan 8.270 nan 0.000 0.402 1160 V N 1.477 121.400 119.914 0.014 0.000 2.448 1160 V HA 0.397 4.515 4.120 -0.003 0.000 0.295 1160 V C 0.030 176.130 176.094 0.010 0.000 1.025 1160 V CA -0.354 61.954 62.300 0.014 0.000 0.859 1160 V CB 1.539 33.370 31.823 0.012 0.000 0.988 1160 V HN 1.053 nan 8.190 nan 0.000 0.431 1161 T N 1.799 116.359 114.554 0.009 0.000 3.054 1161 T HA 0.243 4.591 4.350 -0.003 0.000 0.255 1161 T C 0.090 174.792 174.700 0.004 0.000 1.035 1161 T CA 0.089 62.192 62.100 0.005 0.000 0.941 1161 T CB 0.228 69.097 68.868 0.001 0.000 1.026 1161 T HN 0.627 nan 8.240 nan 0.000 0.533 1162 V N -0.621 119.297 119.914 0.006 0.000 2.760 1162 V HA 0.681 4.799 4.120 -0.003 0.000 0.309 1162 V C -0.863 175.235 176.094 0.006 0.000 1.077 1162 V CA -1.363 60.940 62.300 0.006 0.000 0.910 1162 V CB 1.863 33.690 31.823 0.007 0.000 1.008 1162 V HN -0.125 nan 8.190 nan 0.000 0.424 1163 N N 1.899 120.603 118.700 0.005 0.000 2.483 1163 N HA 0.254 4.993 4.740 -0.003 0.000 0.278 1163 N C -0.050 175.463 175.510 0.006 0.000 1.355 1163 N CA -0.368 52.685 53.050 0.005 0.000 0.896 1163 N CB 0.018 38.508 38.487 0.005 0.000 1.100 1163 N HN 0.912 nan 8.380 nan 0.000 0.460 1164 N N 0.054 118.757 118.700 0.005 0.000 2.437 1164 N HA 0.307 5.046 4.740 -0.003 0.000 0.259 1164 N C -0.109 175.403 175.510 0.004 0.000 0.983 1164 N CA 0.186 53.239 53.050 0.005 0.000 0.937 1164 N CB 0.442 38.932 38.487 0.005 0.000 1.122 1164 N HN 0.700 nan 8.380 nan 0.000 0.499 1165 G N 2.704 111.507 108.800 0.005 0.000 2.141 1165 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.231 1165 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.231 1165 G C -0.509 174.393 174.900 0.004 0.000 0.984 1165 G CA -0.333 44.770 45.100 0.004 0.000 0.660 1165 G HN 0.615 nan 8.290 nan 0.000 0.525 1166 D N 1.553 121.956 120.400 0.004 0.000 2.345 1166 D HA 0.499 5.138 4.640 -0.003 0.000 0.247 1166 D C 1.061 177.364 176.300 0.004 0.000 1.108 1166 D CA 0.954 54.957 54.000 0.004 0.000 0.894 1166 D CB 1.041 41.843 40.800 0.004 0.000 1.203 1166 D HN 0.354 nan 8.370 nan 0.000 0.430 1167 T N -0.392 114.164 114.554 0.003 0.000 2.817 1167 T HA 0.586 4.935 4.350 -0.003 0.000 0.293 1167 T C 0.494 175.196 174.700 0.003 0.000 0.964 1167 T CA -0.868 61.234 62.100 0.003 0.000 1.085 1167 T CB 0.127 68.997 68.868 0.003 0.000 0.921 1167 T HN 0.346 nan 8.240 nan 0.000 0.502 1168 I N 0.025 120.598 120.570 0.004 0.000 2.603 1168 I HA 0.887 5.055 4.170 -0.003 0.000 0.300 1168 I C -0.064 176.055 176.117 0.004 0.000 1.017 1168 I CA -1.602 59.700 61.300 0.004 0.000 1.098 1168 I CB 1.749 39.752 38.000 0.005 0.000 1.279 1168 I HN 0.781 nan 8.210 nan 0.000 0.437 1169 A N 3.254 126.076 122.820 0.003 0.000 2.282 1169 A HA 0.767 5.086 4.320 -0.003 0.000 0.324 1169 A C 0.001 177.587 177.584 0.004 0.000 1.119 1169 A CA -0.656 51.383 52.037 0.003 0.000 0.880 1169 A CB 0.878 19.879 19.000 0.002 0.000 1.294 1169 A HN 0.766 nan 8.150 nan 0.000 0.493 1170 T N 0.770 115.327 114.554 0.005 0.000 2.814 1170 T HA 0.483 4.831 4.350 -0.003 0.000 0.297 1170 T C 0.855 175.559 174.700 0.006 0.000 0.956 1170 T CA 0.995 63.099 62.100 0.007 0.000 1.123 1170 T CB 0.534 69.407 68.868 0.008 0.000 0.902 1170 T HN 2.103 nan 8.240 nan 0.000 0.528 1171 G N 2.846 111.650 108.800 0.007 0.000 2.303 1171 G HA2 -0.138 3.821 3.960 -0.003 0.000 0.260 1171 G HA3 -0.138 3.821 3.960 -0.003 0.000 0.260 1171 G C -0.736 174.161 174.900 -0.005 0.000 1.106 1171 G CA -0.747 44.356 45.100 0.004 0.000 0.900 1171 G HN 0.705 nan 8.290 nan 0.000 0.495 1172 D N -0.660 119.739 120.400 -0.003 0.000 2.362 1172 D HA 0.558 5.196 4.640 -0.003 0.000 0.247 1172 D C 0.312 176.606 176.300 -0.011 0.000 1.050 1172 D CA -0.636 53.358 54.000 -0.010 0.000 0.839 1172 D CB 1.690 42.487 40.800 -0.005 0.000 1.283 1172 D HN 0.206 nan 8.370 nan 0.000 0.477 1173 L N 2.580 123.786 121.223 -0.028 0.000 2.453 1173 L HA 0.197 4.535 4.340 -0.003 0.000 0.272 1173 L C -0.050 176.818 176.870 -0.004 0.000 1.182 1173 L CA 0.744 55.567 54.840 -0.029 0.000 0.858 1173 L CB 0.211 42.231 42.059 -0.065 0.000 1.120 1173 L HN 0.559 nan 8.230 nan 0.000 0.474 1174 L N 4.612 125.844 121.223 0.015 0.000 2.691 1174 L HA 0.365 4.703 4.340 -0.003 0.000 0.185 1174 L C -0.396 176.491 176.870 0.028 0.000 1.081 1174 L CA -0.300 54.552 54.840 0.020 0.000 0.865 1174 L CB 0.106 42.179 42.059 0.024 0.000 1.370 1174 L HN 0.330 nan 8.230 nan 0.000 0.488 1175 I N 1.210 121.806 120.570 0.045 0.000 2.545 1175 I HA 0.273 4.442 4.170 -0.003 0.000 0.292 1175 I C -0.693 175.475 176.117 0.085 0.000 1.040 1175 I CA -0.342 60.989 61.300 0.051 0.000 1.068 1175 I CB 1.824 39.851 38.000 0.044 0.000 1.251 1175 I HN 0.288 nan 8.210 nan 0.000 0.424 1176 E N 6.288 126.541 120.200 0.088 0.000 2.171 1176 E HA 0.794 5.142 4.350 -0.003 0.000 0.271 1176 E C -1.364 175.257 176.600 0.034 0.000 0.916 1176 E CA -0.670 55.807 56.400 0.128 0.000 0.774 1176 E CB 2.794 32.621 29.700 0.211 0.000 1.128 1176 E HN 0.505 nan 8.360 nan 0.000 0.403 1177 I N 2.030 122.581 120.570 -0.032 0.000 2.619 1177 I HA 0.254 4.422 4.170 -0.003 0.000 0.292 1177 I C -0.545 175.468 176.117 -0.174 0.000 1.100 1177 I CA -0.780 60.477 61.300 -0.072 0.000 1.043 1177 I CB 2.444 40.426 38.000 -0.029 0.000 1.239 1177 I HN 0.627 nan 8.210 nan 0.000 0.420 1178 E N 0.000 120.104 120.200 -0.159 0.000 2.725 1178 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 1178 E CA 0.000 56.263 56.400 -0.228 0.000 0.976 1178 E CB 0.000 29.612 29.700 -0.146 0.000 0.812 1178 E HN 0.000 nan 8.360 nan 0.000 0.440