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 3bg5_1_C DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPGTDGPIK SYELAKEFAE DATA SEQUENCE EAGFPLMIKA TSGGGGKGMR IVREESELED AFHRAKSEAE KSFGNSEVYI DATA SEQUENCE ERYIDNPKHI 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 KVTPSSKVVG 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 XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXTEAMKM ET VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.017 176.000 0.028 0.000 1.003 36 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 36 Q CB 0.000 28.754 28.738 0.026 0.000 1.108 37 I N 2.204 122.793 120.570 0.031 0.000 2.330 37 I HA 0.346 4.517 4.170 0.001 0.000 0.289 37 I C 0.367 176.507 176.117 0.038 0.000 1.001 37 I CA -0.373 60.948 61.300 0.035 0.000 1.193 37 I CB 1.373 39.396 38.000 0.038 0.000 1.345 37 I HN 0.154 nan 8.210 nan 0.000 0.461 38 K N 4.107 124.529 120.400 0.038 0.000 2.403 38 K HA 0.277 4.597 4.320 0.001 0.000 0.199 38 K C 0.037 176.664 176.600 0.045 0.000 1.199 38 K CA 0.016 56.326 56.287 0.038 0.000 0.924 38 K CB 0.666 33.184 32.500 0.031 0.000 1.137 38 K HN 0.320 nan 8.250 nan 0.000 0.510 39 K N 1.601 122.031 120.400 0.050 0.000 2.345 39 K HA 0.387 4.708 4.320 0.001 0.000 0.255 39 K C -1.316 175.330 176.600 0.077 0.000 0.934 39 K CA -0.499 55.826 56.287 0.062 0.000 0.801 39 K CB 2.485 35.021 32.500 0.059 0.000 1.137 39 K HN 0.000 nan 8.250 nan 0.000 0.424 40 L N 4.005 125.289 121.223 0.102 0.000 2.356 40 L HA 0.501 4.842 4.340 0.001 0.000 0.277 40 L C -1.306 175.671 176.870 0.179 0.000 0.996 40 L CA -0.901 54.017 54.840 0.130 0.000 0.822 40 L CB 1.407 43.550 42.059 0.141 0.000 1.256 40 L HN 0.582 nan 8.230 nan 0.000 0.413 41 L N 5.405 126.734 121.223 0.176 0.000 2.317 41 L HA 0.607 4.947 4.340 0.001 0.000 0.281 41 L C -1.071 175.938 176.870 0.232 0.000 1.024 41 L CA -0.598 54.376 54.840 0.222 0.000 0.810 41 L CB 1.880 44.049 42.059 0.183 0.000 1.240 41 L HN 0.426 nan 8.230 nan 0.000 0.427 42 V N 5.079 125.160 119.914 0.278 0.000 2.328 42 V HA 0.375 4.496 4.120 0.001 0.000 0.278 42 V C 0.593 176.776 176.094 0.148 0.000 1.021 42 V CA -0.469 61.916 62.300 0.143 0.000 0.838 42 V CB 1.321 33.080 31.823 -0.106 0.000 0.999 42 V HN 0.875 nan 8.190 nan 0.000 0.447 43 A N 5.198 128.105 122.820 0.146 0.000 3.026 43 A HA 0.539 4.859 4.320 0.001 0.000 0.272 43 A C 0.286 177.835 177.584 -0.058 0.000 1.782 43 A CA 0.307 52.415 52.037 0.118 0.000 1.451 43 A CB -0.839 18.275 19.000 0.190 0.000 1.081 43 A HN 0.923 nan 8.150 nan 0.000 0.611 44 N N -0.773 117.824 118.700 -0.172 0.000 3.465 44 N HA 0.471 5.211 4.740 0.001 0.000 0.244 44 N C -1.015 174.076 175.510 -0.698 0.000 1.454 44 N CA -0.774 51.971 53.050 -0.509 0.000 0.865 44 N CB 0.932 39.207 38.487 -0.353 0.000 1.439 44 N HN 0.613 nan 8.380 nan 0.000 0.480 45 R N 0.234 120.179 120.500 -0.924 0.000 2.855 45 R HA 0.862 5.202 4.340 0.001 0.000 0.266 45 R C 0.198 176.043 176.300 -0.758 0.000 1.034 45 R CA -0.373 54.970 56.100 -1.263 0.000 0.944 45 R CB 0.888 30.476 30.300 -1.187 0.000 1.219 45 R HN 0.758 nan 8.270 nan 0.000 0.474 46 G N 1.133 109.563 108.800 -0.616 0.000 2.593 46 G HA2 -0.402 3.559 3.960 0.001 0.000 0.237 46 G HA3 -0.402 3.559 3.960 0.001 0.000 0.237 46 G C 0.622 175.431 174.900 -0.152 0.000 1.312 46 G CA 0.703 45.661 45.100 -0.236 0.000 0.896 46 G HN 0.976 nan 8.290 nan 0.000 0.574 47 E N -0.397 119.766 120.200 -0.062 0.000 2.070 47 E HA -0.100 4.250 4.350 0.001 0.000 0.197 47 E C 2.470 179.029 176.600 -0.068 0.000 1.004 47 E CA 2.375 58.768 56.400 -0.012 0.000 0.805 47 E CB -0.205 29.533 29.700 0.063 0.000 0.744 47 E HN 0.926 nan 8.360 nan 0.000 0.451 48 I N 0.933 121.419 120.570 -0.141 0.000 2.226 48 I HA -0.152 4.019 4.170 0.001 0.000 0.245 48 I C 2.283 178.171 176.117 -0.380 0.000 1.100 48 I CA 1.503 62.660 61.300 -0.237 0.000 1.374 48 I CB -0.814 36.898 38.000 -0.480 0.000 1.057 48 I HN 0.266 nan 8.210 nan 0.000 0.413 49 A N 0.571 123.116 122.820 -0.458 0.000 1.865 49 A HA -0.219 4.102 4.320 0.001 0.000 0.217 49 A C 2.357 179.442 177.584 -0.831 0.000 1.191 49 A CA 2.257 53.880 52.037 -0.691 0.000 0.623 49 A CB -1.164 17.518 19.000 -0.529 0.000 0.826 49 A HN 0.481 nan 8.150 nan 0.000 0.444 50 I N -0.982 119.408 120.570 -0.299 0.000 2.194 50 I HA -0.299 3.871 4.170 0.001 0.000 0.246 50 I C 2.699 178.785 176.117 -0.051 0.000 1.093 50 I CA 1.844 63.139 61.300 -0.008 0.000 1.355 50 I CB -0.219 37.827 38.000 0.077 0.000 1.046 50 I HN 0.311 nan 8.210 nan 0.000 0.413 51 R N 1.521 121.951 120.500 -0.116 0.000 2.073 51 R HA -0.113 4.228 4.340 0.001 0.000 0.234 51 R C 2.038 178.271 176.300 -0.111 0.000 1.134 51 R CA 1.783 57.848 56.100 -0.059 0.000 0.952 51 R CB -0.700 29.593 30.300 -0.011 0.000 0.850 51 R HN 0.316 nan 8.270 nan 0.000 0.433 52 I N -0.258 120.140 120.570 -0.287 0.000 2.286 52 I HA -0.251 3.919 4.170 0.001 0.000 0.248 52 I C 1.926 177.987 176.117 -0.093 0.000 1.115 52 I CA 1.349 62.469 61.300 -0.299 0.000 1.392 52 I CB -0.382 37.290 38.000 -0.547 0.000 1.065 52 I HN 0.107 nan 8.210 nan 0.000 0.418 53 F N 0.562 120.496 119.950 -0.028 0.000 2.126 53 F HA -0.227 4.300 4.527 0.001 0.000 0.299 53 F C 2.849 178.655 175.800 0.011 0.000 1.096 53 F CA 0.938 58.940 58.000 0.003 0.000 1.255 53 F CB -0.317 38.692 39.000 0.015 0.000 0.997 53 F HN -0.068 nan 8.300 nan 0.000 0.479 54 R N 0.412 121.023 120.500 0.186 0.000 2.115 54 R HA -0.056 4.284 4.340 0.001 0.000 0.226 54 R C 2.351 178.704 176.300 0.089 0.000 1.100 54 R CA 0.917 57.090 56.100 0.122 0.000 0.980 54 R CB -0.324 30.034 30.300 0.096 0.000 0.875 54 R HN 0.247 nan 8.270 nan 0.000 0.445 55 A N 0.660 123.522 122.820 0.070 0.000 1.898 55 A HA -0.086 4.234 4.320 0.001 0.000 0.216 55 A C 2.272 179.899 177.584 0.071 0.000 1.181 55 A CA 1.577 53.650 52.037 0.060 0.000 0.620 55 A CB -0.581 18.444 19.000 0.041 0.000 0.819 55 A HN 0.456 nan 8.150 nan 0.000 0.442 56 A N -0.029 122.846 122.820 0.091 0.000 1.877 56 A HA 0.163 4.483 4.320 0.001 0.000 0.216 56 A C 2.525 180.161 177.584 0.087 0.000 1.186 56 A CA 2.119 54.216 52.037 0.101 0.000 0.620 56 A CB -1.090 17.997 19.000 0.145 0.000 0.822 56 A HN 1.042 nan 8.150 nan 0.000 0.443 57 A N -0.053 122.823 122.820 0.093 0.000 1.865 57 A HA -0.227 4.093 4.320 0.001 0.000 0.217 57 A C 1.852 179.469 177.584 0.054 0.000 1.191 57 A CA 1.791 53.868 52.037 0.068 0.000 0.623 57 A CB -0.727 18.314 19.000 0.067 0.000 0.826 57 A HN 0.621 nan 8.150 nan 0.000 0.444 58 E N -0.660 119.574 120.200 0.057 0.000 2.331 58 E HA -0.114 4.236 4.350 0.001 0.000 0.199 58 E C 1.060 177.687 176.600 0.045 0.000 1.008 58 E CA 0.706 57.135 56.400 0.048 0.000 0.843 58 E CB -0.201 29.529 29.700 0.050 0.000 0.761 58 E HN 0.604 nan 8.360 nan 0.000 0.507 59 L N 0.448 121.700 121.223 0.049 0.000 2.700 59 L HA 0.053 4.394 4.340 0.001 0.000 0.234 59 L C -0.319 176.576 176.870 0.041 0.000 1.156 59 L CA -0.237 54.630 54.840 0.044 0.000 0.946 59 L CB 0.338 42.427 42.059 0.049 0.000 1.216 59 L HN -0.021 nan 8.230 nan 0.000 0.493 60 D N 0.608 121.032 120.400 0.040 0.000 2.911 60 D HA -0.199 4.441 4.640 0.001 0.000 0.227 60 D C -0.023 176.299 176.300 0.037 0.000 1.164 60 D CA 1.070 55.090 54.000 0.034 0.000 0.782 60 D CB -1.127 39.691 40.800 0.029 0.000 1.094 60 D HN 0.273 nan 8.370 nan 0.000 0.425 61 I N 0.284 120.882 120.570 0.047 0.000 2.353 61 I HA 0.116 4.286 4.170 0.001 0.000 0.293 61 I C 1.029 177.177 176.117 0.053 0.000 0.992 61 I CA -0.402 60.929 61.300 0.052 0.000 1.268 61 I CB 1.650 39.689 38.000 0.064 0.000 1.387 61 I HN -0.137 nan 8.210 nan 0.000 0.478 62 S N 4.001 119.727 115.700 0.044 0.000 2.562 62 S HA 0.267 4.737 4.470 0.001 0.000 0.281 62 S C 0.064 174.694 174.600 0.050 0.000 1.333 62 S CA -0.492 57.728 58.200 0.034 0.000 1.052 62 S CB 0.300 63.519 63.200 0.031 0.000 0.884 62 S HN 0.725 nan 8.310 nan 0.000 0.506 63 T N 1.014 115.578 114.554 0.016 0.000 2.912 63 T HA 0.740 5.091 4.350 0.001 0.000 0.288 63 T C -0.782 173.903 174.700 -0.024 0.000 1.030 63 T CA -0.802 61.314 62.100 0.026 0.000 1.020 63 T CB 1.370 70.219 68.868 -0.031 0.000 1.056 63 T HN 0.341 nan 8.240 nan 0.000 0.480 64 V N 1.298 121.264 119.914 0.087 0.000 2.577 64 V HA 0.764 4.885 4.120 0.001 0.000 0.303 64 V C 0.196 176.430 176.094 0.232 0.000 1.042 64 V CA -1.025 61.352 62.300 0.127 0.000 0.872 64 V CB 1.254 33.209 31.823 0.220 0.000 0.998 64 V HN 1.349 nan 8.190 nan 0.000 0.423 65 A N 5.713 128.619 122.820 0.143 0.000 2.306 65 A HA 0.979 5.299 4.320 0.001 0.000 0.330 65 A C -0.481 177.299 177.584 0.328 0.000 1.146 65 A CA -0.598 51.644 52.037 0.342 0.000 0.827 65 A CB 0.995 20.081 19.000 0.142 0.000 1.178 65 A HN 1.071 nan 8.150 nan 0.000 0.490 66 I N -0.748 120.061 120.570 0.398 0.000 2.569 66 I HA 0.869 5.039 4.170 0.001 0.000 0.296 66 I C -0.888 175.486 176.117 0.428 0.000 1.028 66 I CA -0.976 60.502 61.300 0.296 0.000 1.082 66 I CB 1.867 39.990 38.000 0.205 0.000 1.264 66 I HN 0.753 nan 8.210 nan 0.000 0.429 67 Y N 2.461 122.822 120.300 0.102 0.000 2.588 67 Y HA 0.830 5.380 4.550 0.001 0.000 0.343 67 Y C -0.222 175.597 175.900 -0.135 0.000 1.065 67 Y CA -0.825 57.320 58.100 0.074 0.000 1.038 67 Y CB 0.877 39.350 38.460 0.022 0.000 1.297 67 Y HN 0.797 nan 8.280 nan 0.000 0.467 68 S N 0.222 115.944 115.700 0.038 0.000 2.677 68 S HA 0.391 4.862 4.470 0.001 0.000 0.290 68 S C 0.032 174.727 174.600 0.158 0.000 1.124 68 S CA -0.121 58.056 58.200 -0.037 0.000 1.017 68 S CB 1.002 64.193 63.200 -0.014 0.000 1.215 68 S HN 0.821 nan 8.310 nan 0.000 0.524 69 N N 1.530 120.284 118.700 0.090 0.000 2.135 69 N HA -0.065 4.675 4.740 0.001 0.000 0.186 69 N C 1.710 177.299 175.510 0.133 0.000 1.027 69 N CA 1.291 54.402 53.050 0.101 0.000 0.849 69 N CB -0.127 38.377 38.487 0.028 0.000 1.002 69 N HN 0.806 nan 8.380 nan 0.000 0.425 70 E N 0.079 120.372 120.200 0.155 0.000 2.478 70 E HA -0.062 4.289 4.350 0.001 0.000 0.194 70 E C 0.062 176.790 176.600 0.213 0.000 1.045 70 E CA 0.737 57.249 56.400 0.188 0.000 0.868 70 E CB 0.130 29.970 29.700 0.232 0.000 0.885 70 E HN 0.263 nan 8.360 nan 0.000 0.505 71 D N 1.549 122.091 120.400 0.236 0.000 2.328 71 D HA 0.057 4.698 4.640 0.001 0.000 0.226 71 D C 0.638 176.967 176.300 0.049 0.000 1.066 71 D CA 0.130 54.250 54.000 0.199 0.000 0.861 71 D CB 0.074 41.058 40.800 0.308 0.000 0.912 71 D HN 0.165 nan 8.370 nan 0.000 0.521 72 K N 0.108 120.535 120.400 0.045 0.000 2.665 72 K HA -0.008 4.312 4.320 0.001 0.000 0.196 72 K C 0.598 177.104 176.600 -0.157 0.000 1.021 72 K CA 0.326 56.529 56.287 -0.139 0.000 1.066 72 K CB 0.076 32.595 32.500 0.032 0.000 0.849 72 K HN 0.058 nan 8.250 nan 0.000 0.500 73 S N -2.489 113.142 115.700 -0.115 0.000 2.702 73 S HA -0.010 4.460 4.470 0.001 0.000 0.257 73 S C 0.099 174.706 174.600 0.011 0.000 0.981 73 S CA -0.689 57.505 58.200 -0.009 0.000 1.414 73 S CB 0.398 63.694 63.200 0.159 0.000 1.239 73 S HN 0.076 nan 8.310 nan 0.000 0.676 74 S N 1.665 117.338 115.700 -0.045 0.000 2.537 74 S HA 0.366 4.836 4.470 0.001 0.000 0.286 74 S C 1.184 175.674 174.600 -0.185 0.000 1.299 74 S CA -0.523 57.705 58.200 0.046 0.000 1.067 74 S CB 0.083 63.404 63.200 0.202 0.000 0.864 74 S HN 0.463 nan 8.310 nan 0.000 0.494 75 L N 4.615 125.740 121.223 -0.162 0.000 2.265 75 L HA -0.110 4.230 4.340 0.001 0.000 0.215 75 L C 2.563 179.375 176.870 -0.096 0.000 1.117 75 L CA 1.325 56.043 54.840 -0.203 0.000 0.782 75 L CB -0.595 41.281 42.059 -0.306 0.000 0.914 75 L HN 0.869 nan 8.230 nan 0.000 0.441 76 H N 0.175 119.194 119.070 -0.084 0.000 2.421 76 H HA -0.197 4.360 4.556 0.001 0.000 0.298 76 H C 2.107 177.480 175.328 0.074 0.000 1.087 76 H CA 1.312 57.401 56.048 0.069 0.000 1.330 76 H CB -0.349 29.452 29.762 0.064 0.000 1.388 76 H HN 0.338 nan 8.280 nan 0.000 0.526 77 R N 0.600 120.583 120.500 -0.862 0.000 2.120 77 R HA -0.142 4.198 4.340 0.001 0.000 0.234 77 R C 1.099 177.086 176.300 -0.523 0.000 1.123 77 R CA 1.283 56.889 56.100 -0.822 0.000 0.975 77 R CB -0.380 29.289 30.300 -1.052 0.000 0.866 77 R HN 0.454 nan 8.270 nan 0.000 0.446 78 Y N -0.557 119.589 120.300 -0.257 0.000 2.500 78 Y HA 0.155 4.705 4.550 0.001 0.000 0.270 78 Y C 1.774 177.567 175.900 -0.179 0.000 1.134 78 Y CA 0.076 58.051 58.100 -0.208 0.000 1.293 78 Y CB 0.505 38.857 38.460 -0.181 0.000 1.063 78 Y HN -0.070 nan 8.280 nan 0.000 0.534 79 K N 0.287 120.658 120.400 -0.047 0.000 2.374 79 K HA 0.296 4.617 4.320 0.001 0.000 0.196 79 K C 0.406 176.833 176.600 -0.288 0.000 1.023 79 K CA -0.086 56.169 56.287 -0.053 0.000 1.103 79 K CB 0.463 33.024 32.500 0.102 0.000 0.848 79 K HN 0.076 nan 8.250 nan 0.000 0.528 80 A N 0.856 123.338 122.820 -0.564 0.000 2.281 80 A HA 0.218 4.538 4.320 0.001 0.000 0.329 80 A C 0.264 177.631 177.584 -0.361 0.000 1.122 80 A CA -0.633 50.930 52.037 -0.790 0.000 0.850 80 A CB 0.687 18.927 19.000 -1.266 0.000 1.207 80 A HN 0.004 nan 8.150 nan 0.000 0.495 81 D N 0.184 120.424 120.400 -0.267 0.000 2.117 81 D HA -0.041 4.599 4.640 0.001 0.000 0.198 81 D C 0.146 176.369 176.300 -0.129 0.000 0.982 81 D CA 1.416 55.330 54.000 -0.143 0.000 0.828 81 D CB 0.255 41.004 40.800 -0.084 0.000 0.967 81 D HN 0.705 nan 8.370 nan 0.000 0.464 82 E N -0.233 119.887 120.200 -0.133 0.000 2.277 82 E HA 0.468 4.818 4.350 0.001 0.000 0.266 82 E C -0.623 175.858 176.600 -0.199 0.000 0.901 82 E CA -0.665 55.640 56.400 -0.159 0.000 0.782 82 E CB 2.340 32.017 29.700 -0.039 0.000 1.228 82 E HN -0.035 nan 8.360 nan 0.000 0.424 83 S N 0.980 116.477 115.700 -0.340 0.000 2.546 83 S HA 0.648 5.118 4.470 0.001 0.000 0.274 83 S C -1.464 172.907 174.600 -0.381 0.000 1.121 83 S CA -0.768 57.332 58.200 -0.167 0.000 0.887 83 S CB 0.826 64.003 63.200 -0.039 0.000 1.094 83 S HN 0.482 nan 8.310 nan 0.000 0.474 84 Y N 0.693 121.057 120.300 0.107 0.000 2.433 84 Y HA 0.513 5.063 4.550 0.001 0.000 0.337 84 Y C -0.489 175.023 175.900 -0.646 0.000 1.026 84 Y CA -1.060 56.970 58.100 -0.118 0.000 1.037 84 Y CB 1.635 40.047 38.460 -0.080 0.000 1.245 84 Y HN 0.807 nan 8.280 nan 0.000 0.443 85 L N 4.089 124.900 121.223 -0.688 0.000 2.455 85 L HA 0.383 4.723 4.340 0.001 0.000 0.272 85 L C -0.752 175.873 176.870 -0.409 0.000 1.174 85 L CA 0.026 54.317 54.840 -0.915 0.000 0.869 85 L CB 0.462 42.252 42.059 -0.449 0.000 1.130 85 L HN 0.454 nan 8.230 nan 0.000 0.474 86 V N 5.910 125.584 119.914 -0.399 0.000 2.304 86 V HA 0.540 4.660 4.120 0.001 0.000 0.269 86 V C 0.734 176.708 176.094 -0.200 0.000 1.036 86 V CA -0.114 62.039 62.300 -0.245 0.000 0.840 86 V CB -0.019 31.648 31.823 -0.259 0.000 1.036 86 V HN 1.102 nan 8.190 nan 0.000 0.466 87 G N 3.873 112.591 108.800 -0.137 0.000 2.920 87 G HA2 -0.217 3.743 3.960 0.001 0.000 0.210 87 G HA3 -0.217 3.743 3.960 0.001 0.000 0.210 87 G C 0.805 175.650 174.900 -0.091 0.000 0.806 87 G CA 0.321 45.362 45.100 -0.099 0.000 0.853 87 G HN 0.899 nan 8.290 nan 0.000 0.333 88 S N 0.814 116.475 115.700 -0.065 0.000 2.370 88 S HA -0.161 4.309 4.470 0.001 0.000 0.226 88 S C 2.001 176.577 174.600 -0.040 0.000 1.033 88 S CA 1.882 60.056 58.200 -0.043 0.000 1.011 88 S CB -0.197 62.989 63.200 -0.023 0.000 0.852 88 S HN 0.817 nan 8.310 nan 0.000 0.457 89 D N 0.041 120.417 120.400 -0.039 0.000 2.158 89 D HA -0.125 4.515 4.640 0.001 0.000 0.197 89 D C 0.295 176.569 176.300 -0.044 0.000 0.995 89 D CA 0.702 54.681 54.000 -0.035 0.000 0.846 89 D CB -0.106 40.676 40.800 -0.030 0.000 0.941 89 D HN 0.270 nan 8.370 nan 0.000 0.456 90 L N 0.106 121.293 121.223 -0.060 0.000 2.436 90 L HA 0.289 4.630 4.340 0.001 0.000 0.265 90 L C 1.526 178.349 176.870 -0.078 0.000 1.168 90 L CA 0.228 55.026 54.840 -0.070 0.000 0.815 90 L CB 0.981 42.984 42.059 -0.093 0.000 1.109 90 L HN -0.087 nan 8.230 nan 0.000 0.462 91 G N 2.184 110.937 108.800 -0.079 0.000 2.928 91 G HA2 0.367 4.328 3.960 0.001 0.000 0.163 91 G HA3 0.367 4.328 3.960 0.001 0.000 0.163 91 G C -2.070 172.758 174.900 -0.120 0.000 1.573 91 G CA 0.142 45.179 45.100 -0.104 0.000 1.084 91 G HN 0.574 nan 8.290 nan 0.000 0.569 92 P HA 0.201 nan 4.420 nan 0.000 0.204 92 P C 0.937 178.225 177.300 -0.019 0.000 1.144 92 P CA 1.638 64.633 63.100 -0.175 0.000 0.901 92 P CB 0.278 31.648 31.700 -0.550 0.000 0.746 93 A N -0.130 122.652 122.820 -0.064 0.000 2.797 93 A HA 0.191 4.511 4.320 0.001 0.000 0.287 93 A C 0.966 178.659 177.584 0.181 0.000 1.369 93 A CA 0.054 52.169 52.037 0.130 0.000 0.968 93 A CB -1.218 17.808 19.000 0.045 0.000 1.069 93 A HN 0.393 nan 8.150 nan 0.000 0.571 94 E N -1.992 118.266 120.200 0.097 0.000 2.568 94 E HA -0.003 4.348 4.350 0.001 0.000 0.220 94 E C 1.244 177.842 176.600 -0.002 0.000 0.869 94 E CA 0.720 57.157 56.400 0.063 0.000 1.268 94 E CB -0.214 29.499 29.700 0.022 0.000 1.252 94 E HN 0.290 nan 8.360 nan 0.000 0.606 95 S N 0.251 115.902 115.700 -0.082 0.000 2.428 95 S HA -0.074 4.396 4.470 0.001 0.000 0.230 95 S C 1.321 175.720 174.600 -0.335 0.000 1.014 95 S CA 0.608 58.670 58.200 -0.229 0.000 0.957 95 S CB -0.656 62.348 63.200 -0.327 0.000 0.784 95 S HN 0.350 nan 8.310 nan 0.000 0.499 96 Y N 0.549 120.772 120.300 -0.129 0.000 2.490 96 Y HA 0.347 4.898 4.550 0.001 0.000 0.281 96 Y C 1.897 177.663 175.900 -0.223 0.000 1.174 96 Y CA -0.024 57.875 58.100 -0.336 0.000 1.295 96 Y CB 0.119 38.024 38.460 -0.925 0.000 1.062 96 Y HN 0.214 nan 8.280 nan 0.000 0.522 97 L N -0.297 120.949 121.223 0.039 0.000 2.590 97 L HA 0.079 4.420 4.340 0.001 0.000 0.227 97 L C 0.145 176.998 176.870 -0.027 0.000 1.099 97 L CA 0.489 55.359 54.840 0.051 0.000 0.872 97 L CB -0.285 41.855 42.059 0.135 0.000 1.088 97 L HN 0.203 nan 8.230 nan 0.000 0.479 98 N N 0.815 119.489 118.700 -0.044 0.000 2.421 98 N HA 0.056 4.796 4.740 0.001 0.000 0.260 98 N C 1.300 176.803 175.510 -0.010 0.000 1.173 98 N CA -0.285 52.750 53.050 -0.026 0.000 0.960 98 N CB 0.648 39.115 38.487 -0.035 0.000 1.273 98 N HN 0.132 nan 8.380 nan 0.000 0.497 99 I N 2.251 122.838 120.570 0.028 0.000 2.091 99 I HA -0.307 3.863 4.170 0.001 0.000 0.239 99 I C 2.125 178.359 176.117 0.195 0.000 1.061 99 I CA 1.235 62.634 61.300 0.165 0.000 1.317 99 I CB -0.132 38.005 38.000 0.228 0.000 1.031 99 I HN 0.530 nan 8.210 nan 0.000 0.401 100 E N 0.587 120.854 120.200 0.111 0.000 2.023 100 E HA -0.250 4.100 4.350 0.001 0.000 0.196 100 E C 2.227 178.859 176.600 0.054 0.000 1.003 100 E CA 1.319 57.764 56.400 0.076 0.000 0.809 100 E CB -0.206 29.520 29.700 0.043 0.000 0.755 100 E HN 0.113 nan 8.360 nan 0.000 0.449 101 R N 0.021 120.538 120.500 0.027 0.000 2.127 101 R HA -0.039 4.301 4.340 0.001 0.000 0.238 101 R C 2.122 178.422 176.300 0.001 0.000 1.134 101 R CA 1.051 57.149 56.100 -0.004 0.000 0.975 101 R CB -0.399 29.883 30.300 -0.030 0.000 0.865 101 R HN 0.266 nan 8.270 nan 0.000 0.447 102 I N -0.735 119.862 120.570 0.046 0.000 2.333 102 I HA -0.191 3.980 4.170 0.001 0.000 0.246 102 I C 1.821 178.008 176.117 0.116 0.000 1.106 102 I CA 0.999 62.351 61.300 0.087 0.000 1.411 102 I CB -0.096 37.990 38.000 0.143 0.000 1.082 102 I HN 0.109 nan 8.210 nan 0.000 0.420 103 I N 0.715 121.374 120.570 0.148 0.000 2.394 103 I HA -0.274 3.896 4.170 0.001 0.000 0.251 103 I C 1.653 177.783 176.117 0.022 0.000 1.136 103 I CA 1.480 62.836 61.300 0.094 0.000 1.425 103 I CB -0.427 37.623 38.000 0.084 0.000 1.079 103 I HN 0.189 nan 8.210 nan 0.000 0.425 104 D N 0.167 120.570 120.400 0.006 0.000 2.219 104 D HA -0.129 4.511 4.640 0.001 0.000 0.205 104 D C 2.228 178.478 176.300 -0.083 0.000 0.970 104 D CA 0.829 54.810 54.000 -0.032 0.000 0.851 104 D CB 0.068 40.851 40.800 -0.028 0.000 0.943 104 D HN 0.094 nan 8.370 nan 0.000 0.488 105 V N 0.712 120.567 119.914 -0.098 0.000 2.379 105 V HA -0.171 3.949 4.120 0.001 0.000 0.245 105 V C 2.396 178.366 176.094 -0.207 0.000 1.044 105 V CA 1.615 63.786 62.300 -0.215 0.000 1.036 105 V CB -0.687 31.023 31.823 -0.187 0.000 0.664 105 V HN 0.229 nan 8.190 nan 0.000 0.453 106 A N -0.134 122.641 122.820 -0.075 0.000 1.908 106 A HA -0.272 4.049 4.320 0.001 0.000 0.218 106 A C 2.282 179.837 177.584 -0.049 0.000 1.181 106 A CA 2.213 54.230 52.037 -0.032 0.000 0.627 106 A CB -0.434 18.581 19.000 0.026 0.000 0.818 106 A HN 0.521 nan 8.150 nan 0.000 0.445 107 K N -1.137 119.232 120.400 -0.053 0.000 2.057 107 K HA -0.103 4.218 4.320 0.001 0.000 0.206 107 K C 2.014 178.573 176.600 -0.067 0.000 1.050 107 K CA 1.349 57.608 56.287 -0.047 0.000 0.935 107 K CB -0.090 32.388 32.500 -0.036 0.000 0.715 107 K HN 0.365 nan 8.250 nan 0.000 0.439 108 Q N -0.651 119.080 119.800 -0.115 0.000 2.547 108 Q HA 0.053 4.393 4.340 0.001 0.000 0.217 108 Q C 0.034 175.949 176.000 -0.142 0.000 0.978 108 Q CA 0.552 56.275 55.803 -0.133 0.000 0.962 108 Q CB 0.480 29.105 28.738 -0.187 0.000 0.990 108 Q HN 0.329 nan 8.270 nan 0.000 0.538 109 A N -0.668 122.085 122.820 -0.110 0.000 2.596 109 A HA 0.200 4.520 4.320 0.001 0.000 0.276 109 A C -0.315 177.271 177.584 0.004 0.000 0.962 109 A CA -0.373 51.636 52.037 -0.046 0.000 1.010 109 A CB 0.200 19.151 19.000 -0.082 0.000 1.220 109 A HN 0.309 nan 8.150 nan 0.000 0.549 110 N N -0.075 118.621 118.700 -0.006 0.000 2.725 110 N HA -0.133 4.607 4.740 0.001 0.000 0.251 110 N C -0.176 175.345 175.510 0.019 0.000 1.031 110 N CA 0.994 54.049 53.050 0.008 0.000 0.720 110 N CB -1.457 37.039 38.487 0.015 0.000 0.930 110 N HN 0.324 nan 8.380 nan 0.000 0.543 111 V N 0.915 120.840 119.914 0.018 0.000 2.530 111 V HA 0.046 4.166 4.120 0.001 0.000 0.282 111 V C 1.507 177.618 176.094 0.029 0.000 1.048 111 V CA -0.059 62.262 62.300 0.035 0.000 0.997 111 V CB 1.481 33.331 31.823 0.045 0.000 0.987 111 V HN 0.211 nan 8.190 nan 0.000 0.477 112 D N 3.094 123.515 120.400 0.035 0.000 2.183 112 D HA 0.172 4.813 4.640 0.001 0.000 0.205 112 D C 0.587 176.903 176.300 0.027 0.000 0.962 112 D CA 1.135 55.152 54.000 0.027 0.000 0.849 112 D CB 0.655 41.473 40.800 0.029 0.000 0.978 112 D HN 0.634 nan 8.370 nan 0.000 0.488 113 A N 0.217 123.059 122.820 0.037 0.000 2.498 113 A HA 0.668 4.988 4.320 0.001 0.000 0.298 113 A C -1.131 176.479 177.584 0.044 0.000 1.075 113 A CA -0.542 51.512 52.037 0.028 0.000 0.714 113 A CB 1.749 20.761 19.000 0.021 0.000 1.299 113 A HN 0.017 nan 8.150 nan 0.000 0.407 114 I N 2.215 122.794 120.570 0.015 0.000 2.436 114 I HA 0.264 4.435 4.170 0.001 0.000 0.289 114 I C -0.798 175.286 176.117 -0.055 0.000 1.010 114 I CA -0.518 60.810 61.300 0.048 0.000 1.098 114 I CB 1.701 39.763 38.000 0.104 0.000 1.266 114 I HN 0.723 nan 8.210 nan 0.000 0.434 115 H N 8.896 127.928 119.070 -0.063 0.000 2.640 115 H HA 0.307 4.863 4.556 0.001 0.000 0.297 115 H C -1.965 173.308 175.328 -0.092 0.000 1.073 115 H CA -2.239 53.724 56.048 -0.141 0.000 1.305 115 H CB 1.842 31.537 29.762 -0.112 0.000 1.404 115 H HN 0.329 nan 8.280 nan 0.000 0.459 116 P HA 0.014 nan 4.420 nan 0.000 0.229 116 P C 0.908 178.323 177.300 0.193 0.000 1.160 116 P CA 1.261 64.477 63.100 0.193 0.000 0.777 116 P CB 0.726 32.532 31.700 0.176 0.000 0.814 117 G N 0.799 109.779 108.800 0.300 0.000 2.561 117 G HA2 -0.237 3.724 3.960 0.001 0.000 0.289 117 G HA3 -0.237 3.724 3.960 0.001 0.000 0.289 117 G C -0.598 174.367 174.900 0.109 0.000 1.169 117 G CA 0.480 45.585 45.100 0.008 0.000 0.980 117 G HN 0.494 nan 8.290 nan 0.000 0.550 118 Y N -2.288 118.071 120.300 0.099 0.000 2.562 118 Y HA 0.596 5.146 4.550 0.001 0.000 0.345 118 Y C 0.842 176.785 175.900 0.072 0.000 1.045 118 Y CA -1.001 57.153 58.100 0.089 0.000 1.028 118 Y CB 1.364 39.855 38.460 0.052 0.000 1.297 118 Y HN 2.478 nan 8.280 nan 0.000 0.463 119 G N 0.334 109.304 108.800 0.285 0.000 2.198 119 G HA2 -0.278 3.682 3.960 0.001 0.000 0.257 119 G HA3 -0.278 3.682 3.960 0.001 0.000 0.257 119 G C -0.757 173.982 174.900 -0.268 0.000 1.042 119 G CA 1.028 46.158 45.100 0.050 0.000 0.791 119 G HN 0.708 nan 8.290 nan 0.000 0.502 120 F N -1.943 118.069 119.950 0.104 0.000 1.974 120 F HA 0.425 4.953 4.527 0.001 0.000 0.217 120 F C 1.859 177.696 175.800 0.061 0.000 1.278 120 F CA 0.077 58.119 58.000 0.069 0.000 1.241 120 F CB -0.287 38.723 39.000 0.017 0.000 1.985 120 F HN -0.072 nan 8.300 nan 0.000 0.120 121 L N 0.989 122.363 121.223 0.252 0.000 2.592 121 L HA 0.085 4.425 4.340 0.001 0.000 0.227 121 L C 1.969 179.035 176.870 0.326 0.000 1.127 121 L CA 0.637 55.550 54.840 0.122 0.000 0.884 121 L CB -0.567 41.267 42.059 -0.376 0.000 1.065 121 L HN 0.405 nan 8.230 nan 0.000 0.457 122 S N -0.228 115.673 115.700 0.334 0.000 2.420 122 S HA -0.235 4.235 4.470 0.001 0.000 0.237 122 S C 1.411 176.246 174.600 0.392 0.000 1.023 122 S CA 1.350 59.781 58.200 0.384 0.000 0.991 122 S CB -0.215 63.158 63.200 0.290 0.000 0.792 122 S HN 0.590 nan 8.310 nan 0.000 0.488 123 E N 0.807 121.181 120.200 0.290 0.000 2.548 123 E HA 0.210 4.560 4.350 0.001 0.000 0.206 123 E C -0.292 176.423 176.600 0.192 0.000 1.005 123 E CA -0.324 56.217 56.400 0.235 0.000 0.951 123 E CB 0.193 29.998 29.700 0.176 0.000 1.035 123 E HN 0.424 nan 8.360 nan 0.000 0.470 124 N N 1.983 120.808 118.700 0.209 0.000 2.415 124 N HA -0.040 4.701 4.740 0.001 0.000 0.246 124 N C 0.870 176.429 175.510 0.082 0.000 1.078 124 N CA 0.173 53.316 53.050 0.155 0.000 0.942 124 N CB 1.138 39.735 38.487 0.183 0.000 1.140 124 N HN 0.073 nan 8.380 nan 0.000 0.501 125 E N 3.186 123.415 120.200 0.048 0.000 2.086 125 E HA -0.294 4.056 4.350 0.001 0.000 0.205 125 E C 1.289 177.868 176.600 -0.035 0.000 1.027 125 E CA 1.927 58.323 56.400 -0.007 0.000 0.830 125 E CB 0.077 29.784 29.700 0.011 0.000 0.751 125 E HN 0.614 nan 8.360 nan 0.000 0.456 126 Q N -1.058 118.755 119.800 0.022 0.000 2.050 126 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 126 Q C 2.178 178.207 176.000 0.048 0.000 0.980 126 Q CA 1.546 57.367 55.803 0.031 0.000 0.840 126 Q CB -0.425 28.352 28.738 0.066 0.000 0.898 126 Q HN 0.413 nan 8.270 nan 0.000 0.424 127 F N 1.076 120.985 119.950 -0.068 0.000 2.120 127 F HA -0.216 4.311 4.527 0.001 0.000 0.300 127 F C 2.094 177.800 175.800 -0.155 0.000 1.095 127 F CA 1.566 59.536 58.000 -0.050 0.000 1.249 127 F CB -0.456 38.565 39.000 0.034 0.000 0.995 127 F HN 0.023 nan 8.300 nan 0.000 0.480 128 A N -0.100 122.429 122.820 -0.485 0.000 2.066 128 A HA -0.080 4.240 4.320 0.001 0.000 0.218 128 A C 2.376 179.704 177.584 -0.427 0.000 1.157 128 A CA 1.159 52.662 52.037 -0.890 0.000 0.670 128 A CB -0.707 17.427 19.000 -1.443 0.000 0.804 128 A HN 0.451 nan 8.150 nan 0.000 0.453 129 R N -0.661 119.684 120.500 -0.259 0.000 2.057 129 R HA -0.056 4.285 4.340 0.001 0.000 0.229 129 R C 2.260 178.481 176.300 -0.132 0.000 1.136 129 R CA 0.862 56.869 56.100 -0.155 0.000 0.952 129 R CB -0.192 30.049 30.300 -0.099 0.000 0.848 129 R HN 0.290 nan 8.270 nan 0.000 0.430 130 R N 0.356 120.783 120.500 -0.122 0.000 2.091 130 R HA -0.139 4.202 4.340 0.001 0.000 0.238 130 R C 2.358 178.582 176.300 -0.126 0.000 1.136 130 R CA 1.365 57.411 56.100 -0.089 0.000 0.959 130 R CB -1.161 29.120 30.300 -0.032 0.000 0.856 130 R HN 0.378 nan 8.270 nan 0.000 0.437 131 C N 0.331 119.493 119.300 -0.230 0.000 2.376 131 C HA -0.176 4.284 4.460 0.001 0.000 0.275 131 C C 2.933 177.863 174.990 -0.100 0.000 1.200 131 C CA 1.139 60.038 59.018 -0.199 0.000 1.756 131 C CB -1.172 26.418 27.740 -0.251 0.000 2.050 131 C HN 0.592 nan 8.230 nan 0.000 0.460 132 A N -0.098 122.664 122.820 -0.097 0.000 1.969 132 A HA -0.182 4.139 4.320 0.001 0.000 0.218 132 A C 1.964 179.515 177.584 -0.056 0.000 1.169 132 A CA 1.584 53.584 52.037 -0.062 0.000 0.635 132 A CB -0.569 18.389 19.000 -0.069 0.000 0.810 132 A HN 0.742 nan 8.150 nan 0.000 0.445 133 E N -0.248 119.915 120.200 -0.062 0.000 2.268 133 E HA -0.118 4.232 4.350 0.001 0.000 0.195 133 E C 0.844 177.422 176.600 -0.037 0.000 0.995 133 E CA 0.895 57.267 56.400 -0.047 0.000 0.836 133 E CB 0.045 29.719 29.700 -0.044 0.000 0.763 133 E HN 0.526 nan 8.360 nan 0.000 0.491 134 E N -0.542 119.634 120.200 -0.039 0.000 2.465 134 E HA 0.092 4.443 4.350 0.001 0.000 0.195 134 E C 0.743 177.329 176.600 -0.024 0.000 1.028 134 E CA 0.286 56.668 56.400 -0.029 0.000 0.899 134 E CB 1.023 30.706 29.700 -0.028 0.000 1.032 134 E HN 0.310 nan 8.360 nan 0.000 0.468 135 G N 1.937 110.723 108.800 -0.025 0.000 2.176 135 G HA2 -0.289 3.672 3.960 0.001 0.000 0.252 135 G HA3 -0.289 3.672 3.960 0.001 0.000 0.252 135 G C 0.214 175.107 174.900 -0.011 0.000 1.024 135 G CA 0.158 45.248 45.100 -0.017 0.000 0.755 135 G HN 0.284 nan 8.290 nan 0.000 0.507 136 I N 0.026 120.586 120.570 -0.015 0.000 2.339 136 I HA 0.325 4.496 4.170 0.001 0.000 0.290 136 I C 0.483 176.606 176.117 0.010 0.000 0.994 136 I CA -1.090 60.206 61.300 -0.005 0.000 1.191 136 I CB 1.637 39.627 38.000 -0.016 0.000 1.343 136 I HN -0.003 nan 8.210 nan 0.000 0.458 137 K N 6.884 127.297 120.400 0.021 0.000 2.336 137 K HA 0.111 4.431 4.320 0.001 0.000 0.290 137 K C -0.670 175.961 176.600 0.053 0.000 1.067 137 K CA 0.043 56.353 56.287 0.038 0.000 0.962 137 K CB 0.011 32.525 32.500 0.022 0.000 1.008 137 K HN 0.361 nan 8.250 nan 0.000 0.467 138 F N 5.964 125.869 119.950 -0.075 0.000 2.504 138 F HA 0.234 4.762 4.527 0.001 0.000 0.369 138 F C -0.029 175.729 175.800 -0.070 0.000 1.082 138 F CA -0.356 57.591 58.000 -0.088 0.000 1.216 138 F CB 0.348 39.284 39.000 -0.106 0.000 1.108 138 F HN 0.452 nan 8.300 nan 0.000 0.554 139 I N 7.461 127.656 120.570 -0.625 0.000 2.260 139 I HA 0.414 4.585 4.170 0.001 0.000 0.297 139 I C 0.609 176.323 176.117 -0.671 0.000 1.143 139 I CA 0.317 61.291 61.300 -0.542 0.000 1.271 139 I CB -0.747 36.932 38.000 -0.534 0.000 1.461 139 I HN 0.817 nan 8.210 nan 0.000 0.530 140 G N 7.140 115.767 108.800 -0.289 0.000 2.336 140 G HA2 0.250 4.210 3.960 0.001 0.000 0.286 140 G HA3 0.250 4.210 3.960 0.001 0.000 0.286 140 G C -3.250 171.669 174.900 0.031 0.000 1.269 140 G CA -0.634 44.410 45.100 -0.092 0.000 0.873 140 G HN 0.190 nan 8.290 nan 0.000 0.494 141 P HA 0.280 nan 4.420 nan 0.000 0.274 141 P C -0.513 176.911 177.300 0.206 0.000 1.256 141 P CA -0.218 62.818 63.100 -0.106 0.000 0.795 141 P CB 0.347 31.907 31.700 -0.233 0.000 1.038 142 H N -0.180 119.060 119.070 0.283 0.000 2.836 142 H HA 0.046 4.602 4.556 0.001 0.000 0.368 142 H C 1.740 177.080 175.328 0.019 0.000 1.164 142 H CA -0.033 56.072 56.048 0.094 0.000 1.425 142 H CB -0.088 29.641 29.762 -0.054 0.000 1.414 142 H HN 0.303 nan 8.280 nan 0.000 0.614 143 L N 0.485 121.745 121.223 0.063 0.000 2.079 143 L HA -0.196 4.144 4.340 0.001 0.000 0.210 143 L C 2.333 179.180 176.870 -0.039 0.000 1.081 143 L CA 1.563 56.386 54.840 -0.027 0.000 0.752 143 L CB -0.417 41.594 42.059 -0.080 0.000 0.896 143 L HN 0.669 nan 8.230 nan 0.000 0.433 144 E N -0.368 119.768 120.200 -0.106 0.000 2.204 144 E HA -0.244 4.106 4.350 0.001 0.000 0.195 144 E C 1.829 178.341 176.600 -0.146 0.000 0.990 144 E CA 1.314 57.616 56.400 -0.163 0.000 0.821 144 E CB -0.578 28.983 29.700 -0.231 0.000 0.750 144 E HN 0.616 nan 8.360 nan 0.000 0.477 145 H N 1.038 120.152 119.070 0.073 0.000 2.363 145 H HA 0.079 4.635 4.556 0.001 0.000 0.301 145 H C 2.463 177.904 175.328 0.188 0.000 1.074 145 H CA 1.075 57.218 56.048 0.158 0.000 1.354 145 H CB -0.146 29.798 29.762 0.303 0.000 1.397 145 H HN 0.161 nan 8.280 nan 0.000 0.516 146 L N 0.330 121.715 121.223 0.270 0.000 2.093 146 L HA -0.136 4.205 4.340 0.001 0.000 0.208 146 L C 2.228 179.160 176.870 0.104 0.000 1.085 146 L CA 1.370 56.333 54.840 0.206 0.000 0.755 146 L CB -0.334 41.803 42.059 0.129 0.000 0.904 146 L HN 0.164 nan 8.230 nan 0.000 0.435 147 D N -0.375 120.043 120.400 0.030 0.000 2.263 147 D HA -0.240 4.401 4.640 0.001 0.000 0.208 147 D C 2.202 178.463 176.300 -0.064 0.000 0.971 147 D CA 1.112 55.099 54.000 -0.022 0.000 0.867 147 D CB 0.192 40.961 40.800 -0.052 0.000 0.929 147 D HN 0.222 nan 8.370 nan 0.000 0.492 148 M N -1.499 118.026 119.600 -0.126 0.000 2.718 148 M HA 0.128 4.608 4.480 0.001 0.000 0.259 148 M C 0.532 176.618 176.300 -0.357 0.000 1.240 148 M CA 0.640 55.739 55.300 -0.336 0.000 1.210 148 M CB 0.329 32.577 32.600 -0.587 0.000 1.281 148 M HN -0.011 nan 8.290 nan 0.000 0.515 149 F N -1.029 118.989 119.950 0.113 0.000 2.695 149 F HA 0.322 4.849 4.527 0.001 0.000 0.303 149 F C 1.834 177.684 175.800 0.084 0.000 1.091 149 F CA -0.180 57.885 58.000 0.108 0.000 1.300 149 F CB 0.009 39.089 39.000 0.133 0.000 1.071 149 F HN 0.192 nan 8.300 nan 0.000 0.578 150 G N -0.336 108.576 108.800 0.188 0.000 3.155 150 G HA2 -0.033 3.927 3.960 0.001 0.000 0.213 150 G HA3 -0.033 3.927 3.960 0.001 0.000 0.213 150 G C -0.338 174.607 174.900 0.075 0.000 1.196 150 G CA 0.295 45.472 45.100 0.127 0.000 0.846 150 G HN 0.246 nan 8.290 nan 0.000 0.516 151 D N -1.050 119.398 120.400 0.080 0.000 2.803 151 D HA 0.154 4.794 4.640 0.001 0.000 0.218 151 D C 0.381 176.725 176.300 0.073 0.000 1.245 151 D CA -0.558 53.470 54.000 0.047 0.000 0.821 151 D CB 1.382 42.192 40.800 0.017 0.000 1.626 151 D HN -0.111 nan 8.370 nan 0.000 0.487 152 K N 1.264 121.709 120.400 0.076 0.000 2.365 152 K HA 0.065 4.385 4.320 0.001 0.000 0.197 152 K C 1.693 178.275 176.600 -0.030 0.000 1.042 152 K CA 0.327 56.681 56.287 0.112 0.000 0.987 152 K CB 0.661 33.306 32.500 0.241 0.000 0.779 152 K HN 0.196 nan 8.250 nan 0.000 0.484 153 V N 1.524 121.346 119.914 -0.152 0.000 2.302 153 V HA -0.183 3.938 4.120 0.001 0.000 0.243 153 V C 2.106 178.131 176.094 -0.115 0.000 1.036 153 V CA 1.549 63.694 62.300 -0.260 0.000 1.020 153 V CB -0.227 31.436 31.823 -0.266 0.000 0.657 153 V HN 0.228 nan 8.190 nan 0.000 0.453 154 K N -0.039 120.322 120.400 -0.066 0.000 2.103 154 K HA -0.165 4.156 4.320 0.001 0.000 0.207 154 K C 2.256 178.838 176.600 -0.030 0.000 1.048 154 K CA 1.394 57.645 56.287 -0.060 0.000 0.930 154 K CB -0.353 32.107 32.500 -0.065 0.000 0.716 154 K HN 0.475 nan 8.250 nan 0.000 0.444 155 A N 1.495 124.365 122.820 0.084 0.000 1.865 155 A HA -0.212 4.109 4.320 0.001 0.000 0.217 155 A C 2.074 179.764 177.584 0.177 0.000 1.191 155 A CA 1.546 53.752 52.037 0.280 0.000 0.623 155 A CB -0.467 18.804 19.000 0.452 0.000 0.826 155 A HN 0.228 nan 8.150 nan 0.000 0.444 156 R N -1.104 119.502 120.500 0.176 0.000 2.091 156 R HA -0.099 4.241 4.340 0.001 0.000 0.238 156 R C 2.365 178.621 176.300 -0.073 0.000 1.136 156 R CA 1.906 58.055 56.100 0.081 0.000 0.959 156 R CB -0.787 29.544 30.300 0.052 0.000 0.856 156 R HN 0.555 nan 8.270 nan 0.000 0.437 157 T N 0.015 114.525 114.554 -0.073 0.000 2.684 157 T HA -0.152 4.198 4.350 0.001 0.000 0.267 157 T C 1.749 176.385 174.700 -0.107 0.000 1.036 157 T CA 2.002 64.049 62.100 -0.088 0.000 1.148 157 T CB -0.295 68.522 68.868 -0.086 0.000 0.863 157 T HN 0.371 nan 8.240 nan 0.000 0.436 158 T N 1.693 116.171 114.554 -0.125 0.000 2.867 158 T HA 0.084 4.434 4.350 0.001 0.000 0.268 158 T C 2.361 176.964 174.700 -0.162 0.000 1.057 158 T CA 0.944 62.965 62.100 -0.131 0.000 1.136 158 T CB -0.408 68.362 68.868 -0.163 0.000 0.874 158 T HN 0.420 nan 8.240 nan 0.000 0.466 159 A N 1.369 123.998 122.820 -0.319 0.000 1.873 159 A HA 0.035 4.355 4.320 0.001 0.000 0.215 159 A C 2.263 179.711 177.584 -0.227 0.000 1.186 159 A CA 1.019 52.764 52.037 -0.488 0.000 0.616 159 A CB -0.750 17.547 19.000 -1.172 0.000 0.823 159 A HN 0.484 nan 8.150 nan 0.000 0.442 160 I N -0.424 120.053 120.570 -0.154 0.000 2.163 160 I HA -0.277 3.893 4.170 0.001 0.000 0.243 160 I C 2.490 178.570 176.117 -0.062 0.000 1.085 160 I CA 1.911 63.166 61.300 -0.076 0.000 1.347 160 I CB -0.181 37.788 38.000 -0.052 0.000 1.044 160 I HN 0.258 nan 8.210 nan 0.000 0.408 161 K N 1.674 122.033 120.400 -0.069 0.000 2.211 161 K HA -0.116 4.205 4.320 0.001 0.000 0.204 161 K C 1.662 178.240 176.600 -0.037 0.000 1.047 161 K CA 1.671 57.929 56.287 -0.049 0.000 0.935 161 K CB -0.225 32.243 32.500 -0.053 0.000 0.728 161 K HN 0.331 nan 8.250 nan 0.000 0.452 162 A N -0.042 122.751 122.820 -0.045 0.000 2.275 162 A HA 0.154 4.475 4.320 0.001 0.000 0.212 162 A C -0.064 177.513 177.584 -0.012 0.000 1.201 162 A CA 0.625 52.650 52.037 -0.021 0.000 0.843 162 A CB -0.206 18.785 19.000 -0.015 0.000 0.873 162 A HN 0.489 nan 8.150 nan 0.000 0.492 163 D N -1.899 118.488 120.400 -0.021 0.000 2.739 163 D HA -0.117 4.524 4.640 0.001 0.000 0.240 163 D C -0.965 175.335 176.300 -0.001 0.000 1.114 163 D CA 0.492 54.484 54.000 -0.013 0.000 0.695 163 D CB -1.648 39.148 40.800 -0.007 0.000 1.078 163 D HN 0.233 nan 8.370 nan 0.000 0.434 164 L N 1.093 122.315 121.223 -0.002 0.000 2.329 164 L HA 0.604 4.944 4.340 0.001 0.000 0.279 164 L C -1.695 175.197 176.870 0.037 0.000 1.014 164 L CA -1.632 53.238 54.840 0.050 0.000 0.814 164 L CB 1.447 43.561 42.059 0.091 0.000 1.257 164 L HN -0.069 nan 8.230 nan 0.000 0.424 165 P HA 0.181 nan 4.420 nan 0.000 0.267 165 P C -1.042 176.359 177.300 0.168 0.000 1.205 165 P CA -0.014 63.056 63.100 -0.051 0.000 0.765 165 P CB 1.017 32.479 31.700 -0.398 0.000 0.828 166 V N 4.043 124.100 119.914 0.238 0.000 3.040 166 V HA 0.309 4.429 4.120 0.001 0.000 0.312 166 V C 0.491 176.796 176.094 0.353 0.000 1.115 166 V CA -1.048 61.458 62.300 0.343 0.000 0.998 166 V CB 1.986 33.954 31.823 0.242 0.000 1.042 166 V HN 0.319 nan 8.190 nan 0.000 0.433 167 I N 4.413 125.131 120.570 0.246 0.000 2.598 167 I HA 0.140 4.311 4.170 0.001 0.000 0.284 167 I C -1.089 175.070 176.117 0.069 0.000 1.140 167 I CA -0.615 60.706 61.300 0.034 0.000 1.420 167 I CB 0.091 38.048 38.000 -0.071 0.000 1.387 167 I HN 0.532 nan 8.210 nan 0.000 0.553 168 P HA -0.243 nan 4.420 nan 0.000 0.211 168 P C 0.741 178.078 177.300 0.062 0.000 0.948 168 P CA 1.820 64.959 63.100 0.065 0.000 1.010 168 P CB -0.438 31.295 31.700 0.055 0.000 0.737 169 G N -2.559 106.281 108.800 0.067 0.000 2.894 169 G HA2 -0.184 3.776 3.960 0.001 0.000 0.247 169 G HA3 -0.184 3.776 3.960 0.001 0.000 0.247 169 G C -0.192 174.716 174.900 0.015 0.000 1.442 169 G CA -0.024 45.121 45.100 0.074 0.000 0.897 169 G HN 0.451 nan 8.290 nan 0.000 0.550 170 T N 0.398 114.935 114.554 -0.029 0.000 2.868 170 T HA 0.380 4.730 4.350 0.001 0.000 0.292 170 T C 1.279 175.863 174.700 -0.194 0.000 1.028 170 T CA 0.307 62.282 62.100 -0.209 0.000 1.059 170 T CB 0.910 69.661 68.868 -0.196 0.000 0.991 170 T HN 0.521 nan 8.240 nan 0.000 0.531 171 D N 0.550 120.797 120.400 -0.256 0.000 2.348 171 D HA 0.133 4.773 4.640 0.001 0.000 0.216 171 D C 1.063 177.263 176.300 -0.167 0.000 0.970 171 D CA 0.630 54.525 54.000 -0.175 0.000 0.889 171 D CB 0.301 41.011 40.800 -0.151 0.000 0.912 171 D HN 0.711 nan 8.370 nan 0.000 0.524 172 G N 0.503 109.198 108.800 -0.174 0.000 2.428 172 G HA2 0.239 4.200 3.960 0.001 0.000 0.305 172 G HA3 0.239 4.200 3.960 0.001 0.000 0.305 172 G C -2.942 171.924 174.900 -0.057 0.000 1.260 172 G CA -0.813 44.203 45.100 -0.139 0.000 0.853 172 G HN -0.238 nan 8.290 nan 0.000 0.480 173 P HA 0.438 nan 4.420 nan 0.000 0.271 173 P C -0.420 176.932 177.300 0.087 0.000 1.218 173 P CA 0.033 63.189 63.100 0.093 0.000 0.780 173 P CB 1.207 32.955 31.700 0.079 0.000 0.901 174 I N 1.675 122.343 120.570 0.164 0.000 2.793 174 I HA 0.381 4.552 4.170 0.001 0.000 0.313 174 I C 0.633 176.892 176.117 0.236 0.000 0.998 174 I CA -0.825 60.579 61.300 0.174 0.000 1.140 174 I CB 1.175 39.324 38.000 0.249 0.000 1.327 174 I HN 0.163 nan 8.210 nan 0.000 0.491 175 K N 1.499 121.977 120.400 0.131 0.000 2.426 175 K HA 0.627 4.948 4.320 0.001 0.000 0.251 175 K C 0.076 176.661 176.600 -0.026 0.000 0.941 175 K CA -0.399 55.969 56.287 0.135 0.000 0.808 175 K CB 1.910 34.461 32.500 0.084 0.000 1.265 175 K HN 0.626 nan 8.250 nan 0.000 0.432 176 S N 0.420 116.158 115.700 0.063 0.000 4.130 176 S HA -0.361 4.110 4.470 0.001 0.000 0.326 176 S C 0.485 174.904 174.600 -0.303 0.000 1.851 176 S CA 2.360 60.565 58.200 0.008 0.000 4.216 176 S CB -0.948 62.273 63.200 0.037 0.000 0.301 176 S HN 0.938 nan 8.310 nan 0.000 0.455 177 Y N -1.010 118.912 120.300 -0.631 0.000 3.084 177 Y HA 0.025 4.575 4.550 0.001 0.000 0.358 177 Y C 1.099 176.801 175.900 -0.331 0.000 0.942 177 Y CA 1.234 58.936 58.100 -0.663 0.000 0.896 177 Y CB -0.899 37.341 38.460 -0.366 0.000 1.285 177 Y HN 0.194 nan 8.280 nan 0.000 0.491 178 E N 1.124 121.112 120.200 -0.354 0.000 2.047 178 E HA -0.096 4.254 4.350 0.001 0.000 0.191 178 E C 1.876 178.323 176.600 -0.255 0.000 0.987 178 E CA 1.662 57.862 56.400 -0.333 0.000 0.799 178 E CB -0.308 29.299 29.700 -0.154 0.000 0.752 178 E HN 0.487 nan 8.360 nan 0.000 0.449 179 L N 0.645 121.758 121.223 -0.184 0.000 2.201 179 L HA -0.068 4.272 4.340 0.001 0.000 0.212 179 L C 2.118 178.925 176.870 -0.105 0.000 1.105 179 L CA 1.405 56.184 54.840 -0.103 0.000 0.775 179 L CB -0.601 41.421 42.059 -0.062 0.000 0.913 179 L HN 0.029 nan 8.230 nan 0.000 0.440 180 A N -0.635 122.048 122.820 -0.228 0.000 1.841 180 A HA -0.255 4.066 4.320 0.001 0.000 0.214 180 A C 2.376 179.874 177.584 -0.144 0.000 1.195 180 A CA 1.753 53.678 52.037 -0.187 0.000 0.611 180 A CB -0.588 18.198 19.000 -0.356 0.000 0.835 180 A HN 0.384 nan 8.150 nan 0.000 0.443 181 K N 0.050 120.277 120.400 -0.288 0.000 2.173 181 K HA -0.249 4.072 4.320 0.001 0.000 0.207 181 K C 1.811 178.325 176.600 -0.143 0.000 1.046 181 K CA 1.935 58.066 56.287 -0.260 0.000 0.929 181 K CB -0.199 32.027 32.500 -0.457 0.000 0.720 181 K HN 0.677 nan 8.250 nan 0.000 0.453 182 E N -0.492 119.648 120.200 -0.101 0.000 2.028 182 E HA -0.174 4.177 4.350 0.001 0.000 0.191 182 E C 1.917 178.485 176.600 -0.054 0.000 0.988 182 E CA 1.390 57.753 56.400 -0.063 0.000 0.799 182 E CB -0.197 29.488 29.700 -0.025 0.000 0.755 182 E HN 0.296 nan 8.360 nan 0.000 0.447 183 F N 0.776 120.673 119.950 -0.088 0.000 2.325 183 F HA -0.040 4.487 4.527 0.001 0.000 0.299 183 F C 2.283 178.027 175.800 -0.092 0.000 1.090 183 F CA 0.846 58.806 58.000 -0.068 0.000 1.392 183 F CB -0.121 38.853 39.000 -0.043 0.000 1.053 183 F HN -0.006 nan 8.300 nan 0.000 0.521 184 A N -0.490 122.343 122.820 0.021 0.000 2.015 184 A HA -0.125 4.195 4.320 0.001 0.000 0.219 184 A C 2.178 179.650 177.584 -0.187 0.000 1.163 184 A CA 1.375 53.334 52.037 -0.129 0.000 0.646 184 A CB -0.364 18.528 19.000 -0.179 0.000 0.806 184 A HN 0.251 nan 8.150 nan 0.000 0.448 185 E N 0.110 120.239 120.200 -0.118 0.000 2.112 185 E HA -0.083 4.267 4.350 0.001 0.000 0.190 185 E C 0.696 177.253 176.600 -0.072 0.000 0.979 185 E CA 0.856 57.208 56.400 -0.080 0.000 0.814 185 E CB -0.111 29.550 29.700 -0.066 0.000 0.762 185 E HN 0.755 nan 8.360 nan 0.000 0.460 186 E N -0.385 119.745 120.200 -0.116 0.000 2.499 186 E HA 0.308 4.658 4.350 0.001 0.000 0.207 186 E C -0.148 176.394 176.600 -0.096 0.000 1.034 186 E CA -0.198 56.127 56.400 -0.125 0.000 1.098 186 E CB 0.938 30.511 29.700 -0.212 0.000 1.148 186 E HN 0.030 nan 8.360 nan 0.000 0.447 187 A N 0.707 123.499 122.820 -0.048 0.000 2.709 187 A HA 0.548 4.868 4.320 0.001 0.000 0.241 187 A C 0.621 178.214 177.584 0.014 0.000 0.879 187 A CA -0.020 52.016 52.037 -0.001 0.000 1.120 187 A CB -0.035 18.996 19.000 0.052 0.000 1.226 187 A HN 0.310 nan 8.150 nan 0.000 0.468 188 G N -0.610 108.208 108.800 0.029 0.000 2.645 188 G HA2 -0.193 3.768 3.960 0.001 0.000 0.239 188 G HA3 -0.193 3.768 3.960 0.001 0.000 0.239 188 G C 0.269 175.224 174.900 0.091 0.000 1.331 188 G CA 0.577 45.726 45.100 0.081 0.000 0.890 188 G HN 0.951 nan 8.290 nan 0.000 0.572 189 F N 0.792 120.770 119.950 0.046 0.000 2.496 189 F HA 0.333 4.861 4.527 0.001 0.000 0.274 189 F C -1.558 174.276 175.800 0.057 0.000 0.924 189 F CA 0.479 58.508 58.000 0.048 0.000 1.147 189 F CB 0.567 39.589 39.000 0.037 0.000 0.969 189 F HN 0.300 nan 8.300 nan 0.000 0.749 190 P HA 0.050 nan 4.420 nan 0.000 0.257 190 P C -1.207 176.209 177.300 0.194 0.000 1.227 190 P CA 1.164 64.411 63.100 0.246 0.000 0.981 190 P CB 0.035 31.878 31.700 0.238 0.000 1.044 191 L N 3.025 124.330 121.223 0.138 0.000 2.370 191 L HA 0.637 4.977 4.340 0.001 0.000 0.266 191 L C -0.006 176.908 176.870 0.074 0.000 1.002 191 L CA -1.086 53.807 54.840 0.087 0.000 0.818 191 L CB 2.175 44.231 42.059 -0.004 0.000 1.325 191 L HN 0.182 nan 8.230 nan 0.000 0.418 192 M N 4.543 124.196 119.600 0.090 0.000 2.072 192 M HA 0.432 4.913 4.480 0.001 0.000 0.331 192 M C -1.261 175.019 176.300 -0.034 0.000 1.004 192 M CA -0.185 55.143 55.300 0.046 0.000 0.952 192 M CB 0.970 33.643 32.600 0.122 0.000 1.511 192 M HN 0.398 nan 8.290 nan 0.000 0.422 193 I N 6.816 127.355 120.570 -0.052 0.000 2.325 193 I HA 0.442 4.613 4.170 0.001 0.000 0.291 193 I C -1.057 174.949 176.117 -0.185 0.000 1.019 193 I CA -0.045 61.197 61.300 -0.097 0.000 1.302 193 I CB 0.273 38.259 38.000 -0.023 0.000 1.401 193 I HN 0.912 nan 8.210 nan 0.000 0.485 194 K N 6.386 126.583 120.400 -0.339 0.000 2.508 194 K HA 0.823 5.143 4.320 0.001 0.000 0.260 194 K C -1.132 175.202 176.600 -0.444 0.000 0.949 194 K CA -0.921 55.138 56.287 -0.380 0.000 0.834 194 K CB 1.679 33.925 32.500 -0.423 0.000 1.365 194 K HN 0.453 nan 8.250 nan 0.000 0.437 195 A N 1.378 124.063 122.820 -0.226 0.000 2.313 195 A HA 0.398 4.718 4.320 0.001 0.000 0.261 195 A C -0.263 177.247 177.584 -0.124 0.000 1.090 195 A CA -0.389 51.573 52.037 -0.126 0.000 0.807 195 A CB 0.178 19.207 19.000 0.048 0.000 1.055 195 A HN 0.700 nan 8.150 nan 0.000 0.492 196 T N 1.831 116.367 114.554 -0.030 0.000 2.869 196 T HA 0.428 4.778 4.350 0.001 0.000 0.295 196 T C 0.505 175.108 174.700 -0.162 0.000 0.987 196 T CA 0.760 62.883 62.100 0.038 0.000 1.109 196 T CB 0.574 69.488 68.868 0.077 0.000 0.932 196 T HN 1.923 nan 8.240 nan 0.000 0.518 197 S N 0.812 116.446 115.700 -0.109 0.000 3.310 197 S HA -0.123 4.347 4.470 0.001 0.000 0.381 197 S C 0.758 175.056 174.600 -0.503 0.000 0.908 197 S CA -0.029 58.057 58.200 -0.190 0.000 1.333 197 S CB -1.840 61.292 63.200 -0.113 0.000 0.931 197 S HN 1.198 nan 8.310 nan 0.000 0.570 198 G N 1.455 109.990 108.800 -0.441 0.000 2.735 198 G HA2 0.752 4.713 3.960 0.001 0.000 0.192 198 G HA3 0.752 4.713 3.960 0.001 0.000 0.192 198 G C 0.963 175.728 174.900 -0.226 0.000 1.547 198 G CA -0.062 44.680 45.100 -0.596 0.000 1.080 198 G HN 1.916 nan 8.290 nan 0.000 0.569 199 G N -2.335 106.515 108.800 0.083 0.000 4.172 199 G HA2 0.253 4.214 3.960 0.001 0.000 0.204 199 G HA3 0.253 4.214 3.960 0.001 0.000 0.204 199 G C 0.618 175.632 174.900 0.190 0.000 1.256 199 G CA 0.506 45.700 45.100 0.156 0.000 0.886 199 G HN 1.466 nan 8.290 nan 0.000 0.344 200 G N 0.949 109.946 108.800 0.328 0.000 2.356 200 G HA2 0.538 4.498 3.960 0.001 0.000 0.312 200 G HA3 0.538 4.498 3.960 0.001 0.000 0.312 200 G C 1.064 176.067 174.900 0.172 0.000 1.096 200 G CA 0.696 45.892 45.100 0.160 0.000 0.950 200 G HN 1.168 nan 8.290 nan 0.000 0.428 201 G N 1.704 110.582 108.800 0.130 0.000 2.687 201 G HA2 -0.147 3.814 3.960 0.001 0.000 0.209 201 G HA3 -0.147 3.814 3.960 0.001 0.000 0.209 201 G C 1.345 176.331 174.900 0.144 0.000 1.146 201 G CA 0.385 45.593 45.100 0.179 0.000 0.787 201 G HN 0.637 nan 8.290 nan 0.000 0.532 202 K N -0.302 120.132 120.400 0.056 0.000 2.365 202 K HA 0.123 4.443 4.320 0.001 0.000 0.197 202 K C 1.948 178.540 176.600 -0.014 0.000 1.042 202 K CA 0.554 56.835 56.287 -0.009 0.000 0.987 202 K CB 0.456 32.912 32.500 -0.074 0.000 0.779 202 K HN 0.145 nan 8.250 nan 0.000 0.484 203 G N 0.619 109.445 108.800 0.043 0.000 3.814 203 G HA2 0.298 4.258 3.960 0.001 0.000 0.293 203 G HA3 0.298 4.258 3.960 0.001 0.000 0.293 203 G C -0.328 174.619 174.900 0.078 0.000 1.243 203 G CA -0.252 44.900 45.100 0.086 0.000 1.053 203 G HN 0.004 nan 8.290 nan 0.000 0.562 204 M N -0.461 119.169 119.600 0.050 0.000 2.575 204 M HA 0.586 5.067 4.480 0.001 0.000 0.284 204 M C -0.752 175.568 176.300 0.033 0.000 1.253 204 M CA -0.789 54.517 55.300 0.011 0.000 0.861 204 M CB 3.336 35.932 32.600 -0.007 0.000 1.733 204 M HN 0.073 nan 8.290 nan 0.000 0.462 205 R N 1.411 121.910 120.500 -0.002 0.000 2.594 205 R HA 0.623 4.963 4.340 0.001 0.000 0.265 205 R C -1.635 174.653 176.300 -0.019 0.000 1.070 205 R CA -0.634 55.474 56.100 0.013 0.000 0.909 205 R CB 2.311 32.609 30.300 -0.003 0.000 1.243 205 R HN 0.793 nan 8.270 nan 0.000 0.455 206 I N 0.353 120.897 120.570 -0.044 0.000 2.428 206 I HA 0.604 4.775 4.170 0.001 0.000 0.296 206 I C -0.664 175.406 176.117 -0.077 0.000 0.985 206 I CA -0.836 60.376 61.300 -0.147 0.000 1.260 206 I CB 1.766 39.529 38.000 -0.394 0.000 1.389 206 I HN 0.103 nan 8.210 nan 0.000 0.484 207 V N 6.647 126.542 119.914 -0.033 0.000 2.384 207 V HA 0.501 4.622 4.120 0.001 0.000 0.287 207 V C 0.639 176.834 176.094 0.169 0.000 1.020 207 V CA -0.532 61.826 62.300 0.096 0.000 0.850 207 V CB 1.090 33.000 31.823 0.144 0.000 0.987 207 V HN 0.860 nan 8.190 nan 0.000 0.436 208 R N 2.298 122.892 120.500 0.156 0.000 2.243 208 R HA 0.399 4.740 4.340 0.001 0.000 0.193 208 R C 0.399 176.657 176.300 -0.070 0.000 0.933 208 R CA -0.064 56.092 56.100 0.092 0.000 1.105 208 R CB 1.233 31.527 30.300 -0.010 0.000 1.169 208 R HN 0.708 nan 8.270 nan 0.000 0.599 209 E N 0.960 121.053 120.200 -0.178 0.000 2.410 209 E HA 0.188 4.539 4.350 0.001 0.000 0.269 209 E C -1.374 174.948 176.600 -0.464 0.000 0.937 209 E CA -0.586 55.486 56.400 -0.546 0.000 0.793 209 E CB 2.451 31.990 29.700 -0.268 0.000 1.314 209 E HN -0.048 nan 8.360 nan 0.000 0.447 210 E N -0.035 119.853 120.200 -0.519 0.000 2.404 210 E HA -0.025 4.325 4.350 0.001 0.000 0.261 210 E C 0.190 176.831 176.600 0.068 0.000 1.074 210 E CA 1.301 57.678 56.400 -0.039 0.000 0.917 210 E CB 0.444 30.126 29.700 -0.029 0.000 0.965 210 E HN 0.695 nan 8.360 nan 0.000 0.433 211 S N 1.531 117.332 115.700 0.169 0.000 2.524 211 S HA -0.367 4.103 4.470 0.001 0.000 0.249 211 S C 0.955 175.616 174.600 0.103 0.000 1.261 211 S CA 1.826 60.102 58.200 0.127 0.000 1.551 211 S CB -1.523 61.722 63.200 0.075 0.000 1.976 211 S HN 0.784 nan 8.310 nan 0.000 0.639 212 E N 0.471 120.735 120.200 0.107 0.000 2.418 212 E HA 0.089 4.439 4.350 0.001 0.000 0.197 212 E C 1.801 178.479 176.600 0.130 0.000 1.026 212 E CA 1.011 57.466 56.400 0.092 0.000 0.862 212 E CB -0.174 29.569 29.700 0.071 0.000 0.799 212 E HN 0.679 nan 8.360 nan 0.000 0.518 213 L N 1.271 122.614 121.223 0.201 0.000 2.217 213 L HA -0.111 4.229 4.340 0.001 0.000 0.211 213 L C 1.715 178.668 176.870 0.138 0.000 1.107 213 L CA 1.567 56.532 54.840 0.208 0.000 0.783 213 L CB -0.050 42.172 42.059 0.270 0.000 0.919 213 L HN -0.011 nan 8.230 nan 0.000 0.442 214 E N -0.163 120.071 120.200 0.056 0.000 2.005 214 E HA -0.240 4.110 4.350 0.001 0.000 0.198 214 E C 1.773 178.309 176.600 -0.107 0.000 1.010 214 E CA 1.712 58.005 56.400 -0.178 0.000 0.825 214 E CB -0.246 29.378 29.700 -0.127 0.000 0.769 214 E HN 0.522 nan 8.360 nan 0.000 0.456 215 D N 0.392 120.784 120.400 -0.013 0.000 2.097 215 D HA -0.139 4.501 4.640 0.001 0.000 0.195 215 D C 1.916 178.252 176.300 0.060 0.000 0.989 215 D CA 1.268 55.285 54.000 0.030 0.000 0.827 215 D CB -0.532 40.278 40.800 0.018 0.000 0.966 215 D HN 0.185 nan 8.370 nan 0.000 0.456 216 A N 0.754 123.610 122.820 0.060 0.000 1.909 216 A HA -0.285 4.035 4.320 0.001 0.000 0.221 216 A C 2.210 179.834 177.584 0.066 0.000 1.223 216 A CA 1.891 53.965 52.037 0.063 0.000 0.658 216 A CB -1.318 17.732 19.000 0.083 0.000 0.831 216 A HN 0.310 nan 8.150 nan 0.000 0.462 217 F N -0.501 119.417 119.950 -0.053 0.000 2.102 217 F HA -0.181 4.346 4.527 0.001 0.000 0.298 217 F C 2.568 178.286 175.800 -0.137 0.000 1.105 217 F CA 2.292 60.227 58.000 -0.107 0.000 1.239 217 F CB -0.197 38.716 39.000 -0.145 0.000 0.991 217 F HN 0.365 nan 8.300 nan 0.000 0.474 218 H N -0.032 119.125 119.070 0.146 0.000 2.403 218 H HA 0.044 4.600 4.556 0.001 0.000 0.298 218 H C 2.415 177.723 175.328 -0.033 0.000 1.059 218 H CA 1.059 57.140 56.048 0.055 0.000 1.363 218 H CB -0.112 29.694 29.762 0.073 0.000 1.410 218 H HN 0.142 nan 8.280 nan 0.000 0.528 219 R N 0.762 121.315 120.500 0.087 0.000 2.091 219 R HA -0.041 4.300 4.340 0.001 0.000 0.238 219 R C 2.233 178.519 176.300 -0.024 0.000 1.136 219 R CA 1.111 57.225 56.100 0.023 0.000 0.959 219 R CB -0.757 29.550 30.300 0.013 0.000 0.856 219 R HN 0.281 nan 8.270 nan 0.000 0.437 220 A N 0.711 123.493 122.820 -0.064 0.000 2.072 220 A HA -0.066 4.254 4.320 0.001 0.000 0.216 220 A C 2.154 179.661 177.584 -0.129 0.000 1.156 220 A CA 0.982 52.962 52.037 -0.095 0.000 0.701 220 A CB -0.153 18.780 19.000 -0.112 0.000 0.816 220 A HN 0.227 nan 8.150 nan 0.000 0.458 221 K N 0.503 120.788 120.400 -0.190 0.000 2.062 221 K HA -0.108 4.213 4.320 0.001 0.000 0.205 221 K C 2.221 178.787 176.600 -0.057 0.000 1.051 221 K CA 1.611 57.785 56.287 -0.189 0.000 0.941 221 K CB -0.125 32.194 32.500 -0.302 0.000 0.719 221 K HN 0.565 nan 8.250 nan 0.000 0.440 222 S N -0.114 115.574 115.700 -0.020 0.000 2.436 222 S HA -0.087 4.383 4.470 0.001 0.000 0.228 222 S C 1.811 176.391 174.600 -0.033 0.000 1.014 222 S CA 0.811 59.008 58.200 -0.005 0.000 0.950 222 S CB 0.037 63.244 63.200 0.011 0.000 0.784 222 S HN 0.369 nan 8.310 nan 0.000 0.504 223 E N 1.089 121.259 120.200 -0.049 0.000 2.285 223 E HA 0.160 4.511 4.350 0.001 0.000 0.194 223 E C 1.948 178.472 176.600 -0.127 0.000 0.997 223 E CA 0.632 56.983 56.400 -0.081 0.000 0.845 223 E CB -0.219 29.439 29.700 -0.070 0.000 0.782 223 E HN 0.709 nan 8.360 nan 0.000 0.491 224 A N 0.634 123.416 122.820 -0.063 0.000 1.975 224 A HA -0.115 4.205 4.320 0.001 0.000 0.215 224 A C 1.951 179.551 177.584 0.026 0.000 1.170 224 A CA 1.203 53.247 52.037 0.012 0.000 0.656 224 A CB -0.241 18.870 19.000 0.185 0.000 0.821 224 A HN 0.200 nan 8.150 nan 0.000 0.449 225 E N 0.695 120.903 120.200 0.013 0.000 2.077 225 E HA -0.164 4.187 4.350 0.001 0.000 0.193 225 E C 1.812 178.396 176.600 -0.026 0.000 0.989 225 E CA 1.863 58.277 56.400 0.024 0.000 0.800 225 E CB -0.206 29.506 29.700 0.021 0.000 0.746 225 E HN 0.593 nan 8.360 nan 0.000 0.452 226 K N -0.446 119.907 120.400 -0.078 0.000 2.167 226 K HA 0.064 4.384 4.320 0.001 0.000 0.203 226 K C 2.297 178.795 176.600 -0.170 0.000 1.052 226 K CA 1.009 57.238 56.287 -0.096 0.000 0.956 226 K CB 0.086 32.535 32.500 -0.086 0.000 0.735 226 K HN -0.009 nan 8.250 nan 0.000 0.451 227 S N 0.533 116.030 115.700 -0.338 0.000 2.329 227 S HA 0.026 4.496 4.470 0.001 0.000 0.215 227 S C 0.843 175.147 174.600 -0.493 0.000 1.031 227 S CA 0.984 58.837 58.200 -0.578 0.000 0.985 227 S CB -0.102 62.433 63.200 -1.109 0.000 0.917 227 S HN 0.083 nan 8.310 nan 0.000 0.441 228 F N 0.080 120.031 119.950 0.002 0.000 2.355 228 F HA 0.603 5.130 4.527 0.001 0.000 0.340 228 F C 1.937 177.748 175.800 0.017 0.000 1.067 228 F CA -0.713 57.294 58.000 0.012 0.000 1.116 228 F CB -0.555 38.453 39.000 0.013 0.000 1.582 228 F HN 0.166 nan 8.300 nan 0.000 0.512 229 G N 0.130 109.078 108.800 0.247 0.000 2.733 229 G HA2 -0.098 3.862 3.960 0.001 0.000 0.213 229 G HA3 -0.098 3.862 3.960 0.001 0.000 0.213 229 G C 0.423 175.400 174.900 0.128 0.000 1.351 229 G CA 0.280 45.465 45.100 0.143 0.000 0.853 229 G HN 0.710 nan 8.290 nan 0.000 0.590 230 N N -0.304 118.470 118.700 0.123 0.000 2.290 230 N HA 0.164 4.905 4.740 0.001 0.000 0.269 230 N C 0.223 175.803 175.510 0.118 0.000 1.295 230 N CA 0.680 53.789 53.050 0.098 0.000 0.932 230 N CB 0.748 39.280 38.487 0.074 0.000 1.128 230 N HN 0.383 nan 8.380 nan 0.000 0.532 231 S N -2.446 113.304 115.700 0.083 0.000 2.941 231 S HA 0.095 4.566 4.470 0.001 0.000 0.251 231 S C -0.457 174.163 174.600 0.034 0.000 1.029 231 S CA -0.781 57.459 58.200 0.065 0.000 1.062 231 S CB -0.177 63.048 63.200 0.041 0.000 0.977 231 S HN 0.493 nan 8.310 nan 0.000 0.552 232 E N 2.456 122.687 120.200 0.051 0.000 2.383 232 E HA 0.199 4.549 4.350 0.001 0.000 0.257 232 E C 0.160 176.788 176.600 0.046 0.000 1.079 232 E CA 0.192 56.625 56.400 0.055 0.000 0.934 232 E CB 1.097 30.834 29.700 0.061 0.000 0.978 232 E HN 0.572 nan 8.360 nan 0.000 0.462 233 V N 1.522 121.453 119.914 0.029 0.000 2.864 233 V HA 0.716 4.836 4.120 0.001 0.000 0.314 233 V C -0.675 175.489 176.094 0.117 0.000 1.073 233 V CA -0.981 61.304 62.300 -0.026 0.000 0.956 233 V CB 1.265 32.946 31.823 -0.236 0.000 1.023 233 V HN 0.585 nan 8.190 nan 0.000 0.435 234 Y N 1.819 122.113 120.300 -0.011 0.000 2.790 234 Y HA 0.880 5.430 4.550 0.001 0.000 0.323 234 Y C -0.902 175.011 175.900 0.023 0.000 1.230 234 Y CA -1.665 56.443 58.100 0.013 0.000 1.121 234 Y CB 1.928 40.381 38.460 -0.011 0.000 1.328 234 Y HN 0.769 nan 8.280 nan 0.000 0.514 235 I N 1.062 121.758 120.570 0.210 0.000 2.647 235 I HA 0.408 4.578 4.170 0.001 0.000 0.295 235 I C -1.422 174.800 176.117 0.175 0.000 1.078 235 I CA -0.639 60.718 61.300 0.096 0.000 1.048 235 I CB 2.107 40.160 38.000 0.087 0.000 1.239 235 I HN 0.992 nan 8.210 nan 0.000 0.421 236 E N 5.664 125.927 120.200 0.104 0.000 2.446 236 E HA 0.421 4.771 4.350 0.001 0.000 0.276 236 E C -1.070 175.565 176.600 0.059 0.000 0.969 236 E CA -1.216 55.248 56.400 0.105 0.000 0.800 236 E CB 1.257 31.047 29.700 0.149 0.000 1.341 236 E HN 0.504 nan 8.360 nan 0.000 0.460 237 R N 0.971 121.490 120.500 0.031 0.000 2.522 237 R HA 0.032 4.372 4.340 0.001 0.000 0.284 237 R C -1.112 175.202 176.300 0.024 0.000 1.032 237 R CA -0.205 55.909 56.100 0.023 0.000 1.049 237 R CB 0.148 30.435 30.300 -0.022 0.000 0.956 237 R HN 0.614 nan 8.270 nan 0.000 0.422 238 Y N 5.305 125.582 120.300 -0.037 0.000 2.442 238 Y HA 0.232 4.783 4.550 0.001 0.000 0.330 238 Y C -0.406 175.466 175.900 -0.047 0.000 1.129 238 Y CA -0.129 57.950 58.100 -0.036 0.000 1.365 238 Y CB 0.513 38.977 38.460 0.008 0.000 1.233 238 Y HN 0.525 nan 8.280 nan 0.000 0.529 239 I N 6.333 126.509 120.570 -0.657 0.000 2.330 239 I HA 0.142 4.313 4.170 0.001 0.000 0.289 239 I C -0.337 175.389 176.117 -0.652 0.000 1.001 239 I CA -0.679 60.321 61.300 -0.498 0.000 1.193 239 I CB 0.938 38.709 38.000 -0.382 0.000 1.345 239 I HN 0.580 nan 8.210 nan 0.000 0.461 240 D N 5.694 125.917 120.400 -0.294 0.000 2.372 240 D HA 0.056 4.696 4.640 0.001 0.000 0.243 240 D C 0.489 176.764 176.300 -0.042 0.000 1.121 240 D CA 0.530 54.471 54.000 -0.098 0.000 0.898 240 D CB 0.483 41.332 40.800 0.083 0.000 1.202 240 D HN 0.421 nan 8.370 nan 0.000 0.428 241 N N 1.489 120.210 118.700 0.035 0.000 2.699 241 N HA -0.137 4.604 4.740 0.001 0.000 0.256 241 N C -2.410 173.133 175.510 0.054 0.000 0.993 241 N CA 0.204 53.298 53.050 0.073 0.000 0.759 241 N CB -0.522 38.016 38.487 0.086 0.000 0.906 241 N HN 0.375 nan 8.380 nan 0.000 0.541 242 P HA 0.283 nan 4.420 nan 0.000 0.281 242 P C -0.219 177.138 177.300 0.095 0.000 1.264 242 P CA -0.265 62.869 63.100 0.056 0.000 0.824 242 P CB 1.319 33.034 31.700 0.024 0.000 1.092 243 K N 0.211 120.662 120.400 0.086 0.000 2.138 243 K HA 0.290 4.611 4.320 0.001 0.000 0.263 243 K C -0.357 176.327 176.600 0.140 0.000 0.965 243 K CA -0.534 55.809 56.287 0.092 0.000 0.868 243 K CB 0.604 33.109 32.500 0.008 0.000 1.083 243 K HN 0.589 nan 8.250 nan 0.000 0.443 244 H N 3.553 122.671 119.070 0.080 0.000 2.640 244 H HA 0.243 4.799 4.556 0.001 0.000 0.297 244 H C -0.807 174.566 175.328 0.075 0.000 1.073 244 H CA -0.606 55.492 56.048 0.083 0.000 1.305 244 H CB 0.336 30.146 29.762 0.080 0.000 1.404 244 H HN 0.265 nan 8.280 nan 0.000 0.459 245 I N 5.869 126.420 120.570 -0.032 0.000 2.389 245 I HA 0.181 4.351 4.170 0.001 0.000 0.288 245 I C -0.146 175.986 176.117 0.025 0.000 0.999 245 I CA -0.676 60.643 61.300 0.031 0.000 1.129 245 I CB 1.324 39.321 38.000 -0.006 0.000 1.288 245 I HN 0.757 nan 8.210 nan 0.000 0.444 246 E N 5.893 126.143 120.200 0.084 0.000 2.227 246 E HA 0.716 5.066 4.350 0.001 0.000 0.268 246 E C -1.582 175.071 176.600 0.088 0.000 0.907 246 E CA -0.833 55.610 56.400 0.071 0.000 0.786 246 E CB 2.680 32.432 29.700 0.088 0.000 1.191 246 E HN 0.219 nan 8.360 nan 0.000 0.411 247 V N 2.216 122.180 119.914 0.082 0.000 2.417 247 V HA 0.154 4.274 4.120 0.001 0.000 0.291 247 V C -0.238 175.875 176.094 0.032 0.000 1.024 247 V CA -0.798 61.538 62.300 0.060 0.000 0.861 247 V CB 1.381 33.231 31.823 0.045 0.000 0.985 247 V HN 0.738 nan 8.190 nan 0.000 0.436 248 Q N 3.617 123.453 119.800 0.060 0.000 2.314 248 Q HA 0.493 4.833 4.340 0.001 0.000 0.258 248 Q C -1.046 174.979 176.000 0.041 0.000 0.954 248 Q CA 0.330 56.163 55.803 0.049 0.000 0.890 248 Q CB 1.488 30.274 28.738 0.080 0.000 1.210 248 Q HN 0.545 nan 8.270 nan 0.000 0.410 249 V N 5.715 125.632 119.914 0.004 0.000 2.638 249 V HA 0.546 4.666 4.120 0.001 0.000 0.306 249 V C -0.863 175.263 176.094 0.052 0.000 1.052 249 V CA -0.696 61.610 62.300 0.010 0.000 0.885 249 V CB 1.950 33.732 31.823 -0.068 0.000 0.999 249 V HN 0.754 nan 8.190 nan 0.000 0.424 250 I N 3.465 124.073 120.570 0.063 0.000 2.498 250 I HA 0.791 4.961 4.170 0.001 0.000 0.290 250 I C 0.446 176.608 176.117 0.075 0.000 1.032 250 I CA 0.113 61.460 61.300 0.079 0.000 1.073 250 I CB 2.175 40.203 38.000 0.048 0.000 1.251 250 I HN 0.708 nan 8.210 nan 0.000 0.426 251 G N 3.166 112.013 108.800 0.078 0.000 2.533 251 G HA2 0.647 4.607 3.960 0.001 0.000 0.304 251 G HA3 0.647 4.607 3.960 0.001 0.000 0.304 251 G C -1.496 173.401 174.900 -0.004 0.000 1.263 251 G CA -0.504 44.621 45.100 0.041 0.000 0.964 251 G HN 0.559 nan 8.290 nan 0.000 0.479 252 D N -1.130 119.278 120.400 0.013 0.000 2.549 252 D HA 0.261 4.902 4.640 0.001 0.000 0.270 252 D C 0.652 176.940 176.300 -0.021 0.000 1.181 252 D CA -0.687 53.325 54.000 0.021 0.000 1.070 252 D CB 0.940 41.796 40.800 0.093 0.000 1.154 252 D HN 0.266 nan 8.370 nan 0.000 0.602 253 E N -1.191 118.987 120.200 -0.036 0.000 2.502 253 E HA -0.055 4.295 4.350 0.001 0.000 0.194 253 E C 0.330 176.759 176.600 -0.285 0.000 1.062 253 E CA 0.390 56.694 56.400 -0.161 0.000 0.867 253 E CB -0.077 29.495 29.700 -0.212 0.000 0.888 253 E HN 0.477 nan 8.360 nan 0.000 0.510 254 H N -0.611 118.475 119.070 0.028 0.000 2.512 254 H HA 0.234 4.790 4.556 0.001 0.000 0.276 254 H C 1.131 176.477 175.328 0.031 0.000 1.126 254 H CA 0.482 56.548 56.048 0.031 0.000 1.060 254 H CB 1.171 30.946 29.762 0.023 0.000 1.646 254 H HN 0.286 nan 8.280 nan 0.000 0.571 255 G N 1.438 110.296 108.800 0.097 0.000 2.195 255 G HA2 -0.271 3.690 3.960 0.001 0.000 0.246 255 G HA3 -0.271 3.690 3.960 0.001 0.000 0.246 255 G C 0.018 174.961 174.900 0.071 0.000 0.984 255 G CA -0.098 45.050 45.100 0.079 0.000 0.633 255 G HN 0.393 nan 8.290 nan 0.000 0.525 256 N N 0.035 118.780 118.700 0.075 0.000 2.518 256 N HA 0.674 5.415 4.740 0.001 0.000 0.283 256 N C -0.328 175.211 175.510 0.048 0.000 1.119 256 N CA 0.022 53.105 53.050 0.055 0.000 0.983 256 N CB 1.276 39.793 38.487 0.051 0.000 1.139 256 N HN 0.328 nan 8.380 nan 0.000 0.465 257 I N 1.045 121.639 120.570 0.041 0.000 2.656 257 I HA 0.392 4.562 4.170 0.001 0.000 0.292 257 I C -0.804 175.325 176.117 0.019 0.000 1.144 257 I CA -1.069 60.258 61.300 0.044 0.000 1.038 257 I CB 1.903 39.942 38.000 0.065 0.000 1.244 257 I HN 0.220 nan 8.210 nan 0.000 0.420 258 V N 1.288 121.204 119.914 0.005 0.000 2.914 258 V HA 0.697 4.818 4.120 0.001 0.000 0.314 258 V C -0.744 175.330 176.094 -0.033 0.000 1.084 258 V CA -0.671 61.598 62.300 -0.051 0.000 0.963 258 V CB 1.631 33.395 31.823 -0.100 0.000 1.025 258 V HN 0.883 nan 8.190 nan 0.000 0.432 259 H N 2.352 121.354 119.070 -0.114 0.000 2.483 259 H HA 0.746 5.303 4.556 0.001 0.000 0.338 259 H C -0.565 174.656 175.328 -0.178 0.000 1.152 259 H CA -1.229 54.732 56.048 -0.144 0.000 1.264 259 H CB 1.641 31.286 29.762 -0.194 0.000 1.510 259 H HN 0.626 nan 8.280 nan 0.000 0.530 260 L N 3.704 124.909 121.223 -0.031 0.000 3.141 260 L HA 0.267 4.608 4.340 0.001 0.000 0.263 260 L C -0.820 176.195 176.870 0.242 0.000 1.312 260 L CA -0.298 54.549 54.840 0.012 0.000 1.012 260 L CB -0.795 41.300 42.059 0.060 0.000 1.408 260 L HN 0.665 nan 8.230 nan 0.000 0.559 261 F N -0.645 119.499 119.950 0.324 0.000 2.183 261 F HA -0.348 4.179 4.527 0.001 0.000 0.318 261 F C 0.688 176.537 175.800 0.081 0.000 0.129 261 F CA 0.533 58.659 58.000 0.210 0.000 0.912 261 F CB -0.376 38.674 39.000 0.084 0.000 4.135 261 F HN 0.212 nan 8.300 nan 0.000 0.137 262 E N 0.409 120.771 120.200 0.269 0.000 2.232 262 E HA 0.789 5.140 4.350 0.001 0.000 0.264 262 E C -1.192 175.471 176.600 0.105 0.000 0.973 262 E CA -1.095 55.381 56.400 0.126 0.000 0.849 262 E CB 1.070 30.806 29.700 0.059 0.000 1.198 262 E HN 0.449 nan 8.360 nan 0.000 0.407 263 R N 0.551 121.108 120.500 0.095 0.000 2.599 263 R HA 0.356 4.697 4.340 0.001 0.000 0.295 263 R C -1.123 175.245 176.300 0.114 0.000 0.963 263 R CA -1.005 55.154 56.100 0.099 0.000 0.883 263 R CB 1.528 31.889 30.300 0.101 0.000 1.171 263 R HN 0.537 nan 8.270 nan 0.000 0.450 264 D N 1.787 122.253 120.400 0.109 0.000 2.280 264 D HA 0.146 4.786 4.640 0.001 0.000 0.243 264 D C -0.328 176.089 176.300 0.196 0.000 1.129 264 D CA -0.374 53.703 54.000 0.129 0.000 0.848 264 D CB 0.991 41.823 40.800 0.054 0.000 1.107 264 D HN 0.530 nan 8.370 nan 0.000 0.471 265 C N 2.880 122.316 119.300 0.227 0.000 2.741 265 C HA 0.212 4.673 4.460 0.001 0.000 0.267 265 C C 1.899 176.979 174.990 0.149 0.000 1.549 265 C CA -0.475 58.630 59.018 0.145 0.000 1.772 265 C CB -1.149 26.593 27.740 0.004 0.000 2.962 265 C HN 0.540 nan 8.230 nan 0.000 0.514 266 S N 0.605 116.474 115.700 0.282 0.000 2.453 266 S HA -0.043 4.427 4.470 0.001 0.000 0.231 266 S C 0.991 175.773 174.600 0.304 0.000 1.005 266 S CA 0.753 59.142 58.200 0.315 0.000 0.949 266 S CB -0.012 63.404 63.200 0.361 0.000 0.774 266 S HN 0.551 nan 8.310 nan 0.000 0.510 267 V N 4.464 124.529 119.914 0.251 0.000 2.302 267 V HA 0.133 4.253 4.120 0.001 0.000 0.244 267 V C 0.047 176.220 176.094 0.131 0.000 1.160 267 V CA 0.013 62.414 62.300 0.168 0.000 1.127 267 V CB -0.851 30.959 31.823 -0.021 0.000 1.253 267 V HN 0.450 nan 8.190 nan 0.000 0.496 268 Q N 3.868 123.757 119.800 0.148 0.000 2.375 268 Q HA 0.590 4.930 4.340 0.001 0.000 0.271 268 Q C 0.519 176.545 176.000 0.044 0.000 1.074 268 Q CA -1.091 54.757 55.803 0.075 0.000 0.808 268 Q CB 2.339 31.112 28.738 0.058 0.000 1.327 268 Q HN 0.609 nan 8.270 nan 0.000 0.441 269 R N 1.353 121.834 120.500 -0.033 0.000 2.056 269 R HA 0.123 4.463 4.340 0.001 0.000 0.220 269 R C 1.547 177.738 176.300 -0.183 0.000 1.187 269 R CA 0.203 56.234 56.100 -0.115 0.000 0.932 269 R CB -0.191 29.922 30.300 -0.312 0.000 0.821 269 R HN 0.432 nan 8.270 nan 0.000 0.449 270 R N -0.153 120.196 120.500 -0.251 0.000 2.062 270 R HA 0.076 4.416 4.340 0.001 0.000 0.213 270 R C 1.168 177.102 176.300 -0.610 0.000 1.214 270 R CA 1.027 56.898 56.100 -0.382 0.000 0.951 270 R CB -0.224 29.910 30.300 -0.276 0.000 0.804 270 R HN 0.505 nan 8.270 nan 0.000 0.473 271 H N -0.489 118.573 119.070 -0.013 0.000 2.777 271 H HA 0.168 4.725 4.556 0.001 0.000 0.244 271 H C -0.617 174.697 175.328 -0.024 0.000 1.185 271 H CA -0.197 55.854 56.048 0.005 0.000 0.945 271 H CB 0.680 30.459 29.762 0.027 0.000 1.994 271 H HN 0.179 nan 8.280 nan 0.000 0.638 272 Q N 2.095 121.897 119.800 0.004 0.000 2.296 272 Q HA 0.200 4.540 4.340 0.001 0.000 0.257 272 Q C -0.281 175.705 176.000 -0.024 0.000 0.942 272 Q CA -0.493 55.299 55.803 -0.018 0.000 0.939 272 Q CB 0.778 29.482 28.738 -0.057 0.000 1.198 272 Q HN 0.048 nan 8.270 nan 0.000 0.429 273 K N 2.730 123.109 120.400 -0.035 0.000 2.484 273 K HA -0.008 4.312 4.320 0.001 0.000 0.280 273 K C -0.142 176.455 176.600 -0.005 0.000 1.013 273 K CA 0.028 56.293 56.287 -0.037 0.000 1.029 273 K CB 0.744 33.203 32.500 -0.067 0.000 0.902 273 K HN 0.536 nan 8.250 nan 0.000 0.481 274 V N 2.762 122.685 119.914 0.014 0.000 2.948 274 V HA 0.026 4.147 4.120 0.001 0.000 0.234 274 V C 0.001 176.095 176.094 0.001 0.000 1.205 274 V CA 0.204 62.522 62.300 0.031 0.000 1.234 274 V CB 1.137 33.001 31.823 0.068 0.000 1.020 274 V HN 0.443 nan 8.190 nan 0.000 0.491 275 V N 1.349 121.256 119.914 -0.012 0.000 2.531 275 V HA 0.579 4.700 4.120 0.001 0.000 0.301 275 V C -1.051 175.094 176.094 0.085 0.000 1.034 275 V CA -0.553 61.739 62.300 -0.013 0.000 0.865 275 V CB 1.893 33.618 31.823 -0.164 0.000 0.995 275 V HN 0.411 nan 8.190 nan 0.000 0.424 276 E N 2.583 122.848 120.200 0.108 0.000 2.221 276 E HA 0.803 5.153 4.350 0.001 0.000 0.268 276 E C -1.151 175.572 176.600 0.205 0.000 0.933 276 E CA -0.487 56.001 56.400 0.146 0.000 0.809 276 E CB 2.391 32.144 29.700 0.088 0.000 1.190 276 E HN 0.423 nan 8.360 nan 0.000 0.406 277 V N 0.703 120.744 119.914 0.212 0.000 2.760 277 V HA 0.872 4.992 4.120 0.001 0.000 0.309 277 V C -0.974 175.207 176.094 0.145 0.000 1.077 277 V CA -0.918 61.514 62.300 0.220 0.000 0.910 277 V CB 1.874 33.834 31.823 0.228 0.000 1.008 277 V HN 0.754 nan 8.190 nan 0.000 0.424 278 A N 5.969 128.875 122.820 0.144 0.000 2.422 278 A HA 0.994 5.314 4.320 0.001 0.000 0.302 278 A C -2.934 174.676 177.584 0.044 0.000 1.041 278 A CA -1.646 50.438 52.037 0.079 0.000 0.708 278 A CB 2.264 21.292 19.000 0.047 0.000 1.257 278 A HN 0.555 nan 8.150 nan 0.000 0.414 279 P HA 0.193 nan 4.420 nan 0.000 0.293 279 P C 0.348 177.670 177.300 0.037 0.000 1.298 279 P CA -0.221 62.857 63.100 -0.038 0.000 0.757 279 P CB 0.627 32.227 31.700 -0.166 0.000 1.262 280 S N -1.166 114.532 115.700 -0.004 0.000 2.565 280 S HA 0.248 4.719 4.470 0.001 0.000 0.276 280 S C -0.182 174.361 174.600 -0.094 0.000 1.326 280 S CA -0.599 57.562 58.200 -0.064 0.000 1.045 280 S CB -0.341 62.806 63.200 -0.089 0.000 0.918 280 S HN 0.156 nan 8.310 nan 0.000 0.505 281 V N 4.724 124.470 119.914 -0.280 0.000 2.481 281 V HA 0.681 4.801 4.120 0.001 0.000 0.286 281 V C 1.462 177.355 176.094 -0.334 0.000 1.042 281 V CA 0.480 62.558 62.300 -0.369 0.000 0.928 281 V CB 0.463 31.819 31.823 -0.777 0.000 0.986 281 V HN 1.261 nan 8.190 nan 0.000 0.462 282 G N 3.629 112.290 108.800 -0.232 0.000 2.475 282 G HA2 -0.190 3.771 3.960 0.001 0.000 0.209 282 G HA3 -0.190 3.771 3.960 0.001 0.000 0.209 282 G C 0.200 175.016 174.900 -0.140 0.000 1.127 282 G CA -0.173 44.809 45.100 -0.197 0.000 0.681 282 G HN 0.557 nan 8.290 nan 0.000 0.517 283 L N 2.562 123.702 121.223 -0.139 0.000 2.529 283 L HA 0.349 4.689 4.340 0.001 0.000 0.287 283 L C 1.660 178.482 176.870 -0.080 0.000 1.241 283 L CA 0.621 55.398 54.840 -0.104 0.000 0.857 283 L CB 0.647 42.642 42.059 -0.106 0.000 1.113 283 L HN 0.695 nan 8.230 nan 0.000 0.504 284 S N 2.432 118.091 115.700 -0.067 0.000 2.603 284 S HA 0.231 4.702 4.470 0.001 0.000 0.268 284 S C -1.824 172.746 174.600 -0.051 0.000 1.317 284 S CA -1.178 56.991 58.200 -0.052 0.000 1.012 284 S CB 1.237 64.411 63.200 -0.043 0.000 0.926 284 S HN 0.428 nan 8.310 nan 0.000 0.539 285 P HA -0.046 nan 4.420 nan 0.000 0.217 285 P C 1.720 179.000 177.300 -0.035 0.000 1.150 285 P CA 1.600 64.683 63.100 -0.028 0.000 0.832 285 P CB -0.433 31.257 31.700 -0.016 0.000 0.787 286 T N -2.554 111.977 114.554 -0.037 0.000 2.821 286 T HA -0.085 4.266 4.350 0.001 0.000 0.267 286 T C 1.886 176.544 174.700 -0.071 0.000 1.046 286 T CA 0.664 62.738 62.100 -0.043 0.000 1.139 286 T CB -1.238 67.612 68.868 -0.029 0.000 0.871 286 T HN 0.003 nan 8.240 nan 0.000 0.454 287 L N 0.191 121.367 121.223 -0.078 0.000 2.093 287 L HA 0.007 4.347 4.340 0.001 0.000 0.208 287 L C 3.174 179.916 176.870 -0.213 0.000 1.085 287 L CA 1.363 56.131 54.840 -0.120 0.000 0.755 287 L CB -0.325 41.679 42.059 -0.091 0.000 0.904 287 L HN 0.253 nan 8.230 nan 0.000 0.435 288 R N -0.928 119.479 120.500 -0.154 0.000 2.081 288 R HA -0.185 4.156 4.340 0.001 0.000 0.235 288 R C 2.397 178.584 176.300 -0.188 0.000 1.131 288 R CA 1.255 57.264 56.100 -0.152 0.000 0.960 288 R CB 0.005 30.274 30.300 -0.052 0.000 0.856 288 R HN 0.336 nan 8.270 nan 0.000 0.436 289 Q N 0.360 120.078 119.800 -0.137 0.000 2.050 289 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 289 Q C 2.104 177.964 176.000 -0.233 0.000 0.980 289 Q CA 1.690 57.407 55.803 -0.144 0.000 0.840 289 Q CB -0.152 28.542 28.738 -0.073 0.000 0.898 289 Q HN 0.370 nan 8.270 nan 0.000 0.424 290 R N -0.188 120.165 120.500 -0.244 0.000 2.120 290 R HA -0.029 4.311 4.340 0.001 0.000 0.234 290 R C 2.402 178.325 176.300 -0.628 0.000 1.123 290 R CA 0.889 56.827 56.100 -0.270 0.000 0.975 290 R CB -0.283 29.966 30.300 -0.086 0.000 0.866 290 R HN 0.267 nan 8.270 nan 0.000 0.446 291 I N -0.039 119.987 120.570 -0.907 0.000 2.252 291 I HA -0.303 3.867 4.170 0.001 0.000 0.245 291 I C 2.320 177.976 176.117 -0.769 0.000 1.102 291 I CA 0.988 61.528 61.300 -1.266 0.000 1.385 291 I CB -0.236 37.120 38.000 -1.072 0.000 1.064 291 I HN 0.216 nan 8.210 nan 0.000 0.414 292 C N 0.524 119.490 119.300 -0.557 0.000 2.440 292 C HA -0.137 4.323 4.460 0.001 0.000 0.278 292 C C 2.413 177.140 174.990 -0.437 0.000 1.295 292 C CA 0.606 59.270 59.018 -0.590 0.000 1.738 292 C CB -0.974 26.225 27.740 -0.902 0.000 1.987 292 C HN 0.512 nan 8.230 nan 0.000 0.492 293 D N 1.055 121.263 120.400 -0.321 0.000 2.144 293 D HA -0.077 4.564 4.640 0.001 0.000 0.199 293 D C 2.272 178.513 176.300 -0.098 0.000 0.984 293 D CA 1.629 55.529 54.000 -0.166 0.000 0.834 293 D CB -0.443 40.289 40.800 -0.114 0.000 0.955 293 D HN 0.505 nan 8.370 nan 0.000 0.465 294 A N 1.139 123.882 122.820 -0.130 0.000 1.877 294 A HA -0.038 4.283 4.320 0.001 0.000 0.216 294 A C 2.345 180.012 177.584 0.139 0.000 1.186 294 A CA 2.223 54.281 52.037 0.035 0.000 0.620 294 A CB -0.820 18.206 19.000 0.043 0.000 0.822 294 A HN 0.226 nan 8.150 nan 0.000 0.443 295 A N -0.261 122.640 122.820 0.135 0.000 1.940 295 A HA -0.101 4.220 4.320 0.001 0.000 0.219 295 A C 1.999 179.611 177.584 0.047 0.000 1.176 295 A CA 1.713 53.850 52.037 0.166 0.000 0.631 295 A CB -0.472 18.603 19.000 0.124 0.000 0.814 295 A HN 0.423 nan 8.150 nan 0.000 0.446 296 I N 0.514 121.086 120.570 0.003 0.000 2.439 296 I HA -0.223 3.948 4.170 0.001 0.000 0.251 296 I C 2.751 178.889 176.117 0.034 0.000 1.139 296 I CA 1.788 63.098 61.300 0.017 0.000 1.438 296 I CB -1.237 36.772 38.000 0.015 0.000 1.085 296 I HN 0.734 nan 8.210 nan 0.000 0.427 297 Q N 0.455 120.277 119.800 0.037 0.000 2.230 297 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 297 Q C 2.208 178.241 176.000 0.055 0.000 0.963 297 Q CA 1.058 56.888 55.803 0.043 0.000 0.866 297 Q CB -0.510 28.251 28.738 0.038 0.000 0.931 297 Q HN 0.381 nan 8.270 nan 0.000 0.452 298 L N 0.108 121.370 121.223 0.065 0.000 2.044 298 L HA -0.017 4.324 4.340 0.001 0.000 0.205 298 L C 2.118 179.044 176.870 0.093 0.000 1.075 298 L CA 1.451 56.330 54.840 0.065 0.000 0.747 298 L CB -0.192 41.898 42.059 0.052 0.000 0.903 298 L HN 0.196 nan 8.230 nan 0.000 0.435 299 M N -0.841 118.793 119.600 0.058 0.000 2.254 299 M HA -0.095 4.385 4.480 0.001 0.000 0.265 299 M C 2.189 178.567 176.300 0.130 0.000 1.066 299 M CA 1.250 56.592 55.300 0.070 0.000 1.123 299 M CB -1.072 31.513 32.600 -0.026 0.000 1.388 299 M HN 0.361 nan 8.290 nan 0.000 0.425 300 E N 0.204 120.461 120.200 0.094 0.000 2.107 300 E HA -0.181 4.170 4.350 0.001 0.000 0.191 300 E C 1.778 178.437 176.600 0.098 0.000 0.982 300 E CA 0.861 57.315 56.400 0.091 0.000 0.809 300 E CB 0.063 29.800 29.700 0.063 0.000 0.756 300 E HN 0.451 nan 8.360 nan 0.000 0.459 301 N N 0.721 119.477 118.700 0.093 0.000 2.043 301 N HA -0.189 4.551 4.740 0.001 0.000 0.193 301 N C 1.448 177.026 175.510 0.113 0.000 1.037 301 N CA 1.800 54.901 53.050 0.085 0.000 0.851 301 N CB -0.063 38.464 38.487 0.067 0.000 1.027 301 N HN 0.159 nan 8.380 nan 0.000 0.422 302 I N -1.899 118.775 120.570 0.174 0.000 3.855 302 I HA 0.298 4.468 4.170 0.001 0.000 0.327 302 I C -0.569 175.756 176.117 0.347 0.000 1.359 302 I CA -0.357 61.083 61.300 0.232 0.000 1.142 302 I CB -0.747 37.416 38.000 0.271 0.000 1.041 302 I HN -0.006 nan 8.210 nan 0.000 0.403 303 K N 0.422 120.972 120.400 0.250 0.000 3.689 303 K HA -0.296 4.024 4.320 0.001 0.000 0.276 303 K C -0.372 176.389 176.600 0.268 0.000 0.932 303 K CA 0.542 56.964 56.287 0.224 0.000 0.758 303 K CB -2.162 30.447 32.500 0.181 0.000 1.500 303 K HN 0.593 nan 8.250 nan 0.000 0.448 304 Y N 0.419 120.731 120.300 0.020 0.000 2.497 304 Y HA 0.214 4.764 4.550 0.001 0.000 0.334 304 Y C 0.456 176.212 175.900 -0.240 0.000 1.199 304 Y CA -0.263 57.653 58.100 -0.307 0.000 1.425 304 Y CB 0.823 39.145 38.460 -0.229 0.000 1.291 304 Y HN 0.096 nan 8.280 nan 0.000 0.562 305 V N 7.261 126.531 119.914 -1.073 0.000 2.604 305 V HA 0.292 4.412 4.120 0.001 0.000 0.305 305 V C 0.083 175.753 176.094 -0.707 0.000 1.043 305 V CA -0.938 60.955 62.300 -0.678 0.000 0.888 305 V CB 1.226 32.636 31.823 -0.688 0.000 0.995 305 V HN 1.128 nan 8.190 nan 0.000 0.429 306 N N 1.944 120.474 118.700 -0.284 0.000 6.182 306 N HA -0.170 4.571 4.740 0.001 0.000 0.378 306 N C -0.206 175.341 175.510 0.062 0.000 0.927 306 N CA 0.686 53.659 53.050 -0.129 0.000 1.120 306 N CB -0.431 37.956 38.487 -0.168 0.000 0.872 306 N HN 1.079 nan 8.380 nan 0.000 0.371 307 A N 0.128 123.007 122.820 0.099 0.000 2.366 307 A HA 0.647 4.967 4.320 0.001 0.000 0.272 307 A C 0.632 178.388 177.584 0.287 0.000 1.135 307 A CA 0.748 52.886 52.037 0.169 0.000 0.804 307 A CB 0.565 19.616 19.000 0.085 0.000 1.064 307 A HN 0.961 nan 8.150 nan 0.000 0.499 308 G N 0.478 109.373 108.800 0.158 0.000 2.733 308 G HA2 0.563 4.523 3.960 0.001 0.000 0.297 308 G HA3 0.563 4.523 3.960 0.001 0.000 0.297 308 G C -0.903 173.871 174.900 -0.210 0.000 1.422 308 G CA -0.374 44.657 45.100 -0.115 0.000 0.942 308 G HN 0.685 nan 8.290 nan 0.000 0.510 309 T N 0.496 114.930 114.554 -0.199 0.000 2.824 309 T HA 0.582 4.932 4.350 0.001 0.000 0.280 309 T C -0.194 174.353 174.700 -0.255 0.000 0.995 309 T CA -0.365 61.638 62.100 -0.163 0.000 1.009 309 T CB 1.760 70.581 68.868 -0.079 0.000 0.955 309 T HN 0.421 nan 8.240 nan 0.000 0.452 310 V N 3.443 123.221 119.914 -0.225 0.000 2.417 310 V HA 0.416 4.537 4.120 0.001 0.000 0.291 310 V C 0.017 175.838 176.094 -0.454 0.000 1.024 310 V CA -0.806 61.293 62.300 -0.335 0.000 0.861 310 V CB 1.456 33.147 31.823 -0.220 0.000 0.985 310 V HN 0.844 nan 8.190 nan 0.000 0.436 311 E N 3.849 123.638 120.200 -0.686 0.000 2.183 311 E HA 0.665 5.015 4.350 0.001 0.000 0.271 311 E C -1.551 174.478 176.600 -0.952 0.000 0.919 311 E CA -0.375 55.643 56.400 -0.636 0.000 0.781 311 E CB 2.175 31.649 29.700 -0.376 0.000 1.140 311 E HN 0.537 nan 8.360 nan 0.000 0.402 312 F N 1.417 121.139 119.950 -0.380 0.000 2.577 312 F HA 0.425 4.952 4.527 0.001 0.000 0.318 312 F C -0.589 175.073 175.800 -0.231 0.000 1.065 312 F CA -1.133 56.746 58.000 -0.202 0.000 0.929 312 F CB 1.088 40.053 39.000 -0.059 0.000 1.237 312 F HN 0.207 nan 8.300 nan 0.000 0.468 313 L N 2.408 123.744 121.223 0.189 0.000 2.313 313 L HA 0.687 5.028 4.340 0.001 0.000 0.283 313 L C -0.862 176.187 176.870 0.298 0.000 1.013 313 L CA -0.683 54.256 54.840 0.165 0.000 0.816 313 L CB 1.676 43.807 42.059 0.121 0.000 1.236 313 L HN 0.345 nan 8.230 nan 0.000 0.419 314 V N 3.491 123.523 119.914 0.197 0.000 2.409 314 V HA 0.676 4.797 4.120 0.001 0.000 0.291 314 V C -0.010 176.175 176.094 0.151 0.000 1.020 314 V CA -0.306 62.103 62.300 0.180 0.000 0.848 314 V CB 1.504 33.377 31.823 0.084 0.000 0.990 314 V HN 0.840 nan 8.190 nan 0.000 0.430 318 D N 0.801 121.208 120.400 0.012 0.000 2.433 318 D HA 0.291 4.931 4.640 0.001 0.000 0.211 318 D C 0.148 176.445 176.300 -0.005 0.000 1.114 318 D CA 0.106 54.109 54.000 0.005 0.000 0.837 318 D CB 0.536 41.333 40.800 -0.006 0.000 0.984 318 D HN 0.325 nan 8.370 nan 0.000 0.505 319 E N 0.012 120.188 120.200 -0.040 0.000 2.191 319 E HA 0.412 4.763 4.350 0.001 0.000 0.274 319 E C -0.731 175.751 176.600 -0.197 0.000 0.948 319 E CA -0.837 55.434 56.400 -0.214 0.000 0.802 319 E CB 1.688 31.210 29.700 -0.297 0.000 1.137 319 E HN 0.108 nan 8.360 nan 0.000 0.397 320 F N -0.132 119.541 119.950 -0.461 0.000 2.577 320 F HA 0.720 5.248 4.527 0.001 0.000 0.318 320 F C -1.286 174.209 175.800 -0.508 0.000 1.065 320 F CA -1.273 56.519 58.000 -0.347 0.000 0.929 320 F CB 0.915 39.752 39.000 -0.270 0.000 1.237 320 F HN 0.187 nan 8.300 nan 0.000 0.468 321 F N 2.477 122.596 119.950 0.282 0.000 2.547 321 F HA 0.421 4.949 4.527 0.000 0.000 0.316 321 F C -0.434 175.635 175.800 0.448 0.000 1.121 321 F CA -1.167 56.981 58.000 0.248 0.000 0.911 321 F CB 1.669 40.740 39.000 0.117 0.000 1.179 321 F HN 0.651 nan 8.300 nan 0.000 0.443 322 F N 3.966 124.196 119.950 0.466 0.000 2.563 322 F HA 0.206 4.734 4.527 0.001 0.000 0.363 322 F C 0.298 176.134 175.800 0.060 0.000 1.123 322 F CA 0.390 58.494 58.000 0.173 0.000 1.307 322 F CB 0.443 39.515 39.000 0.119 0.000 1.115 322 F HN 0.429 nan 8.300 nan 0.000 0.592 323 I N 2.069 121.960 120.570 -1.132 0.000 4.399 323 I HA 0.235 4.406 4.170 0.001 0.000 0.301 323 I C -0.196 175.379 176.117 -0.903 0.000 1.198 323 I CA 0.555 61.430 61.300 -0.709 0.000 1.315 323 I CB 0.213 37.992 38.000 -0.368 0.000 1.452 323 I HN 0.700 nan 8.210 nan 0.000 0.457 324 E N -0.523 118.891 120.200 -1.311 0.000 2.409 324 E HA 0.392 4.743 4.350 0.001 0.000 0.280 324 E C -1.799 174.501 176.600 -0.499 0.000 1.079 324 E CA -0.287 55.743 56.400 -0.618 0.000 0.840 324 E CB 2.917 32.443 29.700 -0.289 0.000 1.309 324 E HN -0.247 nan 8.360 nan 0.000 0.447 325 V N 2.870 122.675 119.914 -0.182 0.000 2.483 325 V HA 0.380 4.501 4.120 0.001 0.000 0.297 325 V C -0.997 174.990 176.094 -0.180 0.000 1.027 325 V CA -0.998 61.123 62.300 -0.298 0.000 0.855 325 V CB 1.772 33.155 31.823 -0.734 0.000 0.995 325 V HN 0.502 nan 8.190 nan 0.000 0.424 326 N N 6.625 125.225 118.700 -0.167 0.000 2.500 326 N HA 0.338 5.078 4.740 0.001 0.000 0.236 326 N C -2.539 172.949 175.510 -0.038 0.000 1.022 326 N CA -1.739 51.278 53.050 -0.056 0.000 0.935 326 N CB 1.538 40.007 38.487 -0.031 0.000 1.147 326 N HN 0.385 nan 8.380 nan 0.000 0.512 327 P HA 0.180 nan 4.420 nan 0.000 0.214 327 P C -0.444 177.007 177.300 0.251 0.000 1.826 327 P CA -0.064 63.164 63.100 0.213 0.000 0.977 327 P CB -0.050 31.869 31.700 0.366 0.000 1.930 328 R N -1.309 119.298 120.500 0.178 0.000 2.832 328 R HA 0.421 4.762 4.340 0.001 0.000 0.283 328 R C -0.971 175.403 176.300 0.124 0.000 0.998 328 R CA -1.055 55.141 56.100 0.160 0.000 0.843 328 R CB -0.209 30.206 30.300 0.193 0.000 1.332 328 R HN -0.143 nan 8.270 nan 0.000 0.490 329 V N -0.727 119.268 119.914 0.135 0.000 3.051 329 V HA 0.309 4.429 4.120 0.001 0.000 0.306 329 V C 0.027 176.193 176.094 0.119 0.000 1.083 329 V CA -0.480 61.881 62.300 0.101 0.000 1.104 329 V CB 0.776 32.618 31.823 0.032 0.000 1.027 329 V HN 0.641 nan 8.190 nan 0.000 0.483 330 Q N 0.815 120.657 119.800 0.069 0.000 2.241 330 Q HA 0.467 4.807 4.340 0.001 0.000 0.262 330 Q C 0.997 176.965 176.000 -0.053 0.000 1.014 330 Q CA -0.815 54.967 55.803 -0.036 0.000 0.885 330 Q CB 2.113 30.843 28.738 -0.014 0.000 1.311 330 Q HN 0.611 nan 8.270 nan 0.000 0.461 331 V N 0.665 120.343 119.914 -0.393 0.000 2.324 331 V HA -0.263 3.857 4.120 0.001 0.000 0.250 331 V C 1.661 177.764 176.094 0.016 0.000 1.060 331 V CA 2.156 64.274 62.300 -0.303 0.000 1.042 331 V CB -0.744 30.860 31.823 -0.366 0.000 0.650 331 V HN 0.849 nan 8.190 nan 0.000 0.450 332 E N 1.537 121.730 120.200 -0.012 0.000 2.403 332 E HA -0.135 4.216 4.350 0.001 0.000 0.187 332 E C 1.704 178.294 176.600 -0.017 0.000 1.073 332 E CA 0.358 56.743 56.400 -0.025 0.000 0.888 332 E CB -0.844 28.850 29.700 -0.009 0.000 1.035 332 E HN 0.894 nan 8.360 nan 0.000 0.471 333 H N 1.611 120.685 119.070 0.008 0.000 2.352 333 H HA -0.160 4.396 4.556 0.001 0.000 0.299 333 H C 1.765 177.106 175.328 0.021 0.000 1.097 333 H CA 2.087 58.150 56.048 0.026 0.000 1.311 333 H CB -1.109 28.681 29.762 0.046 0.000 1.377 333 H HN 0.285 nan 8.280 nan 0.000 0.504 334 T N -0.020 114.095 114.554 -0.732 0.000 2.665 334 T HA -0.189 4.161 4.350 0.001 0.000 0.268 334 T C 2.321 176.912 174.700 -0.181 0.000 1.035 334 T CA 1.539 63.385 62.100 -0.423 0.000 1.151 334 T CB -0.969 67.669 68.868 -0.383 0.000 0.862 334 T HN 0.372 nan 8.240 nan 0.000 0.438 335 I N 1.368 121.856 120.570 -0.138 0.000 2.147 335 I HA -0.298 3.872 4.170 0.001 0.000 0.245 335 I C 2.779 178.852 176.117 -0.072 0.000 1.059 335 I CA 2.228 63.484 61.300 -0.072 0.000 1.320 335 I CB -0.596 37.395 38.000 -0.015 0.000 1.021 335 I HN 0.394 nan 8.210 nan 0.000 0.415 336 T N -0.067 114.469 114.554 -0.029 0.000 2.857 336 T HA -0.144 4.206 4.350 0.001 0.000 0.266 336 T C 1.598 176.287 174.700 -0.017 0.000 1.048 336 T CA 1.262 63.365 62.100 0.004 0.000 1.139 336 T CB -0.187 68.719 68.868 0.064 0.000 0.874 336 T HN 0.465 nan 8.240 nan 0.000 0.455 337 E N 1.217 121.407 120.200 -0.017 0.000 2.077 337 E HA -0.095 4.255 4.350 0.001 0.000 0.193 337 E C 2.225 178.771 176.600 -0.090 0.000 0.989 337 E CA 1.053 57.443 56.400 -0.016 0.000 0.800 337 E CB -0.280 29.431 29.700 0.018 0.000 0.746 337 E HN 0.505 nan 8.360 nan 0.000 0.452 338 M N 0.823 120.316 119.600 -0.179 0.000 2.159 338 M HA -0.132 4.348 4.480 0.001 0.000 0.263 338 M C 2.658 178.622 176.300 -0.559 0.000 1.063 338 M CA 1.333 56.407 55.300 -0.377 0.000 1.110 338 M CB -0.406 31.911 32.600 -0.471 0.000 1.374 338 M HN 0.159 nan 8.290 nan 0.000 0.411 339 V N -2.910 116.775 119.914 -0.382 0.000 2.878 339 V HA -0.021 4.099 4.120 0.001 0.000 0.250 339 V C 2.161 178.187 176.094 -0.112 0.000 1.075 339 V CA 1.533 63.678 62.300 -0.259 0.000 1.096 339 V CB -1.292 30.410 31.823 -0.201 0.000 0.724 339 V HN 0.520 nan 8.190 nan 0.000 0.467 340 T N -2.997 111.522 114.554 -0.058 0.000 3.044 340 T HA 0.366 4.716 4.350 0.001 0.000 0.255 340 T C 1.845 176.551 174.700 0.010 0.000 1.073 340 T CA 1.115 63.221 62.100 0.010 0.000 1.125 340 T CB 0.192 69.099 68.868 0.065 0.000 0.908 340 T HN 1.576 nan 8.240 nan 0.000 0.480 341 G N 1.080 109.876 108.800 -0.007 0.000 2.159 341 G HA2 -0.188 3.773 3.960 0.001 0.000 0.256 341 G HA3 -0.188 3.773 3.960 0.001 0.000 0.256 341 G C -0.135 174.780 174.900 0.025 0.000 0.977 341 G CA 0.082 45.190 45.100 0.013 0.000 0.652 341 G HN 0.604 nan 8.290 nan 0.000 0.531 342 I N 1.185 121.771 120.570 0.028 0.000 2.359 342 I HA 0.372 4.543 4.170 0.001 0.000 0.294 342 I C -0.127 176.020 176.117 0.050 0.000 0.987 342 I CA -0.937 60.385 61.300 0.037 0.000 1.225 342 I CB 1.676 39.698 38.000 0.035 0.000 1.366 342 I HN 0.050 nan 8.210 nan 0.000 0.466 343 D N 6.816 127.248 120.400 0.054 0.000 2.453 343 D HA 0.186 4.827 4.640 0.001 0.000 0.223 343 D C 1.196 177.542 176.300 0.076 0.000 1.183 343 D CA 0.159 54.201 54.000 0.070 0.000 0.933 343 D CB 0.458 41.295 40.800 0.061 0.000 1.038 343 D HN 0.430 nan 8.370 nan 0.000 0.513 344 I N 2.417 123.047 120.570 0.101 0.000 2.151 344 I HA -0.306 3.864 4.170 0.001 0.000 0.243 344 I C 2.303 178.453 176.117 0.055 0.000 1.080 344 I CA 0.729 62.080 61.300 0.084 0.000 1.339 344 I CB 0.027 38.096 38.000 0.114 0.000 1.039 344 I HN 0.272 nan 8.210 nan 0.000 0.409 345 V N 0.691 120.630 119.914 0.042 0.000 2.358 345 V HA -0.288 3.832 4.120 0.001 0.000 0.246 345 V C 2.509 178.638 176.094 0.059 0.000 1.047 345 V CA 1.855 64.168 62.300 0.023 0.000 1.035 345 V CB -0.598 31.195 31.823 -0.051 0.000 0.658 345 V HN 0.392 nan 8.190 nan 0.000 0.452 346 K N -0.385 120.047 120.400 0.055 0.000 2.147 346 K HA -0.181 4.139 4.320 0.001 0.000 0.205 346 K C 2.119 178.750 176.600 0.052 0.000 1.049 346 K CA 1.862 58.182 56.287 0.055 0.000 0.936 346 K CB -0.188 32.344 32.500 0.052 0.000 0.722 346 K HN 0.518 nan 8.250 nan 0.000 0.446 347 T N 0.985 115.569 114.554 0.049 0.000 2.777 347 T HA -0.141 4.209 4.350 0.001 0.000 0.266 347 T C 1.713 176.432 174.700 0.032 0.000 1.040 347 T CA 1.147 63.271 62.100 0.041 0.000 1.141 347 T CB -0.138 68.754 68.868 0.040 0.000 0.868 347 T HN 0.345 nan 8.240 nan 0.000 0.444 348 Q N 0.327 120.149 119.800 0.036 0.000 2.062 348 Q HA -0.131 4.210 4.340 0.001 0.000 0.209 348 Q C 2.368 178.363 176.000 -0.008 0.000 0.996 348 Q CA 1.686 57.492 55.803 0.005 0.000 0.859 348 Q CB -0.476 28.281 28.738 0.031 0.000 0.920 348 Q HN 0.535 nan 8.270 nan 0.000 0.415 349 I N 0.408 121.002 120.570 0.040 0.000 2.127 349 I HA -0.330 3.840 4.170 0.001 0.000 0.241 349 I C 2.272 178.405 176.117 0.027 0.000 1.075 349 I CA 1.205 62.529 61.300 0.041 0.000 1.334 349 I CB -0.410 37.636 38.000 0.076 0.000 1.040 349 I HN 0.212 nan 8.210 nan 0.000 0.405 350 L N 0.009 121.253 121.223 0.034 0.000 2.079 350 L HA -0.203 4.137 4.340 0.001 0.000 0.210 350 L C 2.596 179.486 176.870 0.032 0.000 1.081 350 L CA 0.999 55.860 54.840 0.035 0.000 0.752 350 L CB -0.611 41.470 42.059 0.037 0.000 0.896 350 L HN 0.092 nan 8.230 nan 0.000 0.433 351 V N 0.026 119.953 119.914 0.022 0.000 2.343 351 V HA -0.313 3.807 4.120 0.001 0.000 0.247 351 V C 2.723 178.821 176.094 0.005 0.000 1.051 351 V CA 1.842 64.151 62.300 0.016 0.000 1.036 351 V CB -0.827 30.991 31.823 -0.008 0.000 0.654 351 V HN 0.506 nan 8.190 nan 0.000 0.451 352 A N -0.250 122.564 122.820 -0.010 0.000 2.019 352 A HA -0.056 4.264 4.320 0.001 0.000 0.219 352 A C 2.289 179.880 177.584 0.012 0.000 1.164 352 A CA 1.828 53.858 52.037 -0.012 0.000 0.644 352 A CB -0.537 18.439 19.000 -0.040 0.000 0.805 352 A HN 0.588 nan 8.150 nan 0.000 0.449 353 A N -2.218 120.616 122.820 0.024 0.000 2.119 353 A HA 0.395 4.715 4.320 0.001 0.000 0.216 353 A C 1.857 179.471 177.584 0.050 0.000 1.152 353 A CA 1.419 53.477 52.037 0.035 0.000 0.708 353 A CB -0.589 18.433 19.000 0.037 0.000 0.805 353 A HN 1.784 nan 8.150 nan 0.000 0.460 354 G N -2.266 106.571 108.800 0.061 0.000 2.211 354 G HA2 0.163 4.124 3.960 0.001 0.000 0.201 354 G HA3 0.163 4.124 3.960 0.001 0.000 0.201 354 G C 0.507 175.519 174.900 0.186 0.000 0.997 354 G CA 0.129 45.294 45.100 0.108 0.000 0.652 354 G HN 1.549 nan 8.290 nan 0.000 0.500 355 A N 0.419 123.306 122.820 0.112 0.000 2.561 355 A HA 0.449 4.769 4.320 0.001 0.000 0.234 355 A C 1.145 178.793 177.584 0.107 0.000 1.055 355 A CA 1.558 53.646 52.037 0.086 0.000 0.756 355 A CB 0.141 19.172 19.000 0.053 0.000 0.986 355 A HN 0.663 nan 8.150 nan 0.000 0.505 356 D N 0.951 121.371 120.400 0.034 0.000 2.041 356 D HA 0.403 5.043 4.640 0.001 0.000 0.263 356 D C 1.032 177.348 176.300 0.026 0.000 1.038 356 D CA 2.076 56.080 54.000 0.006 0.000 0.903 356 D CB -0.315 40.423 40.800 -0.105 0.000 1.013 356 D HN 1.612 nan 8.370 nan 0.000 0.408 357 G N -1.022 107.773 108.800 -0.009 0.000 2.447 357 G HA2 -0.165 3.795 3.960 0.001 0.000 0.220 357 G HA3 -0.165 3.795 3.960 0.001 0.000 0.220 357 G C 0.430 175.329 174.900 -0.001 0.000 1.261 357 G CA 0.239 45.332 45.100 -0.012 0.000 1.000 357 G HN 0.285 nan 8.290 nan 0.000 0.515 358 E N 0.195 120.395 120.200 -0.000 0.000 2.152 358 E HA -0.031 4.320 4.350 0.001 0.000 0.192 358 E C 2.357 178.964 176.600 0.012 0.000 0.983 358 E CA 1.754 58.157 56.400 0.006 0.000 0.818 358 E CB 0.037 29.740 29.700 0.005 0.000 0.758 358 E HN 0.571 nan 8.360 nan 0.000 0.467 359 E N 0.133 120.342 120.200 0.015 0.000 2.140 359 E HA 0.057 4.407 4.350 0.001 0.000 0.191 359 E C 2.059 178.673 176.600 0.024 0.000 0.973 359 E CA 0.426 56.839 56.400 0.021 0.000 0.829 359 E CB 0.111 29.826 29.700 0.025 0.000 0.781 359 E HN 0.191 nan 8.360 nan 0.000 0.466 360 I N 0.134 120.717 120.570 0.022 0.000 2.494 360 I HA -0.007 4.164 4.170 0.001 0.000 0.250 360 I C -0.405 175.724 176.117 0.021 0.000 1.112 360 I CA 0.031 61.346 61.300 0.024 0.000 1.438 360 I CB -0.390 37.625 38.000 0.025 0.000 1.111 360 I HN 0.031 nan 8.210 nan 0.000 0.431 361 N N 1.033 119.743 118.700 0.016 0.000 4.054 361 N HA -0.129 4.612 4.740 0.001 0.000 0.317 361 N C -2.702 172.815 175.510 0.012 0.000 2.176 361 N CA 0.307 53.365 53.050 0.013 0.000 3.071 361 N CB -0.776 37.721 38.487 0.016 0.000 0.268 361 N HN 0.189 nan 8.380 nan 0.000 0.822 362 P HA 0.381 nan 4.420 nan 0.000 0.319 362 P C -1.279 176.011 177.300 -0.018 0.000 1.486 362 P CA -0.824 62.273 63.100 -0.004 0.000 1.201 362 P CB 1.615 33.317 31.700 0.002 0.000 1.579 363 Q N 0.880 120.670 119.800 -0.015 0.000 2.428 363 Q HA -0.054 4.286 4.340 0.001 0.000 0.276 363 Q C 1.413 177.388 176.000 -0.042 0.000 1.059 363 Q CA 0.560 56.349 55.803 -0.023 0.000 0.923 363 Q CB 0.573 29.303 28.738 -0.013 0.000 1.283 363 Q HN 0.287 nan 8.270 nan 0.000 0.447 364 Q N 2.548 122.310 119.800 -0.063 0.000 2.156 364 Q HA -0.306 4.035 4.340 0.001 0.000 0.211 364 Q C 1.301 177.253 176.000 -0.079 0.000 0.995 364 Q CA 2.483 58.217 55.803 -0.115 0.000 0.877 364 Q CB -0.174 28.497 28.738 -0.112 0.000 0.920 364 Q HN 0.627 nan 8.270 nan 0.000 0.416 365 K N -0.076 120.304 120.400 -0.032 0.000 2.173 365 K HA -0.191 4.129 4.320 0.001 0.000 0.207 365 K C 0.500 177.109 176.600 0.015 0.000 1.046 365 K CA 2.124 58.410 56.287 -0.002 0.000 0.929 365 K CB -0.180 32.321 32.500 0.002 0.000 0.720 365 K HN 0.404 nan 8.250 nan 0.000 0.453 366 D N -0.719 119.685 120.400 0.007 0.000 2.398 366 D HA 0.171 4.812 4.640 0.001 0.000 0.210 366 D C -0.310 176.011 176.300 0.035 0.000 1.094 366 D CA -0.042 53.970 54.000 0.021 0.000 0.839 366 D CB 0.359 41.166 40.800 0.012 0.000 0.963 366 D HN 0.143 nan 8.370 nan 0.000 0.506 367 I N 1.979 122.566 120.570 0.028 0.000 2.533 367 I HA 0.111 4.281 4.170 0.001 0.000 0.284 367 I C 0.711 176.982 176.117 0.258 0.000 1.109 367 I CA 0.296 61.642 61.300 0.076 0.000 1.412 367 I CB 0.584 38.560 38.000 -0.041 0.000 1.396 367 I HN 0.024 nan 8.210 nan 0.000 0.543 368 T N 0.983 115.664 114.554 0.212 0.000 2.693 368 T HA 0.683 5.034 4.350 0.001 0.000 0.278 368 T C -0.262 174.368 174.700 -0.117 0.000 0.994 368 T CA -0.850 61.304 62.100 0.090 0.000 1.033 368 T CB 1.801 70.660 68.868 -0.014 0.000 1.342 368 T HN 0.524 nan 8.240 nan 0.000 0.538 369 T N -0.566 113.757 114.554 -0.385 0.000 2.863 369 T HA 0.684 5.034 4.350 0.001 0.000 0.285 369 T C -1.069 173.495 174.700 -0.226 0.000 1.009 369 T CA -0.879 61.018 62.100 -0.338 0.000 0.989 369 T CB 1.366 69.912 68.868 -0.538 0.000 1.004 369 T HN 0.729 nan 8.240 nan 0.000 0.455 370 L N 3.293 124.445 121.223 -0.117 0.000 2.325 370 L HA 0.705 5.045 4.340 0.001 0.000 0.281 370 L C 0.723 177.627 176.870 0.057 0.000 1.004 370 L CA 1.236 56.062 54.840 -0.022 0.000 0.823 370 L CB 0.481 42.582 42.059 0.071 0.000 1.236 370 L HN 1.365 nan 8.230 nan 0.000 0.415 371 G N 3.034 111.804 108.800 -0.050 0.000 2.578 371 G HA2 -0.308 3.652 3.960 0.001 0.000 0.275 371 G HA3 -0.308 3.652 3.960 0.001 0.000 0.275 371 G C -0.907 173.876 174.900 -0.195 0.000 1.271 371 G CA 0.569 45.667 45.100 -0.004 0.000 0.941 371 G HN 0.718 nan 8.290 nan 0.000 0.564 372 Y N -0.190 120.225 120.300 0.192 0.000 2.545 372 Y HA 0.681 5.232 4.550 0.001 0.000 0.348 372 Y C 0.624 176.689 175.900 0.275 0.000 1.002 372 Y CA -0.063 58.152 58.100 0.192 0.000 1.039 372 Y CB 2.342 40.928 38.460 0.211 0.000 1.271 372 Y HN 1.189 nan 8.280 nan 0.000 0.467 373 A N 2.949 125.959 122.820 0.318 0.000 2.393 373 A HA 0.874 5.195 4.320 0.001 0.000 0.306 373 A C -1.415 176.296 177.584 0.211 0.000 1.050 373 A CA -0.620 51.546 52.037 0.215 0.000 0.724 373 A CB 0.820 19.838 19.000 0.029 0.000 1.248 373 A HN 0.689 nan 8.150 nan 0.000 0.424 374 I N 1.250 121.931 120.570 0.185 0.000 2.474 374 I HA 0.459 4.629 4.170 0.001 0.000 0.294 374 I C -0.026 176.151 176.117 0.101 0.000 1.005 374 I CA -0.363 61.052 61.300 0.191 0.000 1.113 374 I CB 2.091 40.231 38.000 0.233 0.000 1.289 374 I HN 0.787 nan 8.210 nan 0.000 0.436 375 Q N 5.432 125.282 119.800 0.084 0.000 2.377 375 Q HA 0.761 5.101 4.340 0.001 0.000 0.271 375 Q C -1.465 174.550 176.000 0.025 0.000 1.077 375 Q CA -0.633 55.192 55.803 0.036 0.000 0.820 375 Q CB 2.704 31.448 28.738 0.010 0.000 1.347 375 Q HN 0.925 nan 8.270 nan 0.000 0.444 376 C N 0.874 120.180 119.300 0.009 0.000 3.170 376 C HA 0.783 5.243 4.460 0.001 0.000 0.319 376 C C -1.379 173.624 174.990 0.022 0.000 1.260 376 C CA -1.067 57.953 59.018 0.003 0.000 1.374 376 C CB 1.585 29.307 27.740 -0.030 0.000 1.739 376 C HN 0.932 nan 8.230 nan 0.000 0.479 377 R N 1.709 122.231 120.500 0.037 0.000 2.312 377 R HA 0.711 5.051 4.340 0.001 0.000 0.311 377 R C -0.190 176.155 176.300 0.075 0.000 1.004 377 R CA -0.677 55.458 56.100 0.058 0.000 0.902 377 R CB 0.636 30.971 30.300 0.060 0.000 1.073 377 R HN 0.728 nan 8.270 nan 0.000 0.457 378 I N 3.737 124.356 120.570 0.081 0.000 2.312 378 I HA 0.198 4.368 4.170 0.001 0.000 0.291 378 I C 0.582 176.754 176.117 0.092 0.000 1.031 378 I CA -0.075 61.279 61.300 0.090 0.000 1.293 378 I CB 0.387 38.446 38.000 0.099 0.000 1.403 378 I HN 0.672 nan 8.210 nan 0.000 0.484 379 T N 0.663 115.274 114.554 0.094 0.000 2.940 379 T HA 0.357 4.708 4.350 0.001 0.000 0.288 379 T C 1.046 175.780 174.700 0.057 0.000 1.045 379 T CA -0.448 61.702 62.100 0.083 0.000 1.018 379 T CB 1.664 70.594 68.868 0.103 0.000 1.151 379 T HN 0.617 nan 8.240 nan 0.000 0.529 380 T N -2.046 112.532 114.554 0.040 0.000 3.160 380 T HA 0.119 4.469 4.350 0.001 0.000 0.257 380 T C 0.348 175.041 174.700 -0.012 0.000 1.147 380 T CA -0.109 61.997 62.100 0.011 0.000 1.064 380 T CB -0.687 68.183 68.868 0.003 0.000 0.949 380 T HN 0.729 nan 8.240 nan 0.000 0.526 381 E N 2.321 122.524 120.200 0.005 0.000 2.415 381 E HA 0.101 4.451 4.350 0.001 0.000 0.263 381 E C -0.594 175.895 176.600 -0.185 0.000 0.995 381 E CA -0.244 56.136 56.400 -0.033 0.000 0.915 381 E CB 0.344 30.110 29.700 0.110 0.000 0.951 381 E HN 0.229 nan 8.360 nan 0.000 0.449 382 D N 4.356 124.619 120.400 -0.228 0.000 2.396 382 D HA 0.093 4.734 4.640 0.001 0.000 0.225 382 D C -1.716 174.267 176.300 -0.528 0.000 1.121 382 D CA -2.565 51.266 54.000 -0.283 0.000 0.853 382 D CB 1.088 41.789 40.800 -0.165 0.000 1.043 382 D HN 0.125 nan 8.370 nan 0.000 0.500 383 P HA -0.043 nan 4.420 nan 0.000 0.230 383 P C 1.182 178.244 177.300 -0.397 0.000 1.158 383 P CA 0.475 62.952 63.100 -1.038 0.000 0.769 383 P CB 0.412 31.645 31.700 -0.778 0.000 0.807 384 L N -1.246 119.826 121.223 -0.252 0.000 2.607 384 L HA 0.212 4.553 4.340 0.001 0.000 0.228 384 L C 1.138 177.924 176.870 -0.139 0.000 1.123 384 L CA 0.265 55.018 54.840 -0.145 0.000 0.890 384 L CB -0.337 41.666 42.059 -0.093 0.000 1.103 384 L HN -0.107 nan 8.230 nan 0.000 0.468 385 N N 0.208 118.811 118.700 -0.160 0.000 2.610 385 N HA 0.033 4.774 4.740 0.001 0.000 0.307 385 N C -0.151 175.315 175.510 -0.073 0.000 1.813 385 N CA 0.024 53.008 53.050 -0.109 0.000 0.901 385 N CB 0.062 38.490 38.487 -0.098 0.000 1.354 385 N HN -0.047 nan 8.380 nan 0.000 0.491 386 D N 0.647 121.016 120.400 -0.052 0.000 2.882 386 D HA -0.270 4.370 4.640 0.001 0.000 0.229 386 D C -0.922 175.498 176.300 0.200 0.000 1.167 386 D CA 0.674 54.699 54.000 0.042 0.000 0.759 386 D CB -1.576 39.212 40.800 -0.019 0.000 1.088 386 D HN 0.506 nan 8.370 nan 0.000 0.425 387 F N -2.321 117.556 119.950 -0.120 0.000 2.685 387 F HA -0.293 4.235 4.527 0.001 0.000 0.336 387 F C 0.850 176.606 175.800 -0.073 0.000 1.061 387 F CA 0.327 58.269 58.000 -0.096 0.000 1.118 387 F CB -0.849 38.090 39.000 -0.101 0.000 1.436 387 F HN 0.074 nan 8.300 nan 0.000 0.816 388 M N 2.715 122.315 119.600 0.001 0.000 2.108 388 M HA 0.256 4.737 4.480 0.001 0.000 0.354 388 M C -2.142 174.146 176.300 -0.020 0.000 1.229 388 M CA -1.524 53.769 55.300 -0.013 0.000 1.081 388 M CB 0.934 33.510 32.600 -0.041 0.000 1.606 388 M HN -0.133 nan 8.290 nan 0.000 0.467 389 P HA 0.062 nan 4.420 nan 0.000 0.267 389 P C -0.517 176.762 177.300 -0.034 0.000 1.328 389 P CA -0.121 62.973 63.100 -0.011 0.000 0.990 389 P CB -0.111 31.584 31.700 -0.008 0.000 1.168 390 D N 2.446 122.825 120.400 -0.036 0.000 2.382 390 D HA 0.175 4.816 4.640 0.001 0.000 0.240 390 D C 0.236 176.511 176.300 -0.041 0.000 1.146 390 D CA 0.393 54.368 54.000 -0.042 0.000 0.897 390 D CB 0.718 41.493 40.800 -0.042 0.000 1.197 390 D HN 0.244 nan 8.370 nan 0.000 0.432 391 T N -0.677 113.848 114.554 -0.048 0.000 2.926 391 T HA 0.869 5.220 4.350 0.001 0.000 0.289 391 T C 0.425 175.100 174.700 -0.041 0.000 1.054 391 T CA -0.183 61.888 62.100 -0.048 0.000 1.015 391 T CB 1.739 70.566 68.868 -0.069 0.000 1.167 391 T HN 0.644 nan 8.240 nan 0.000 0.526 392 G N -0.023 108.754 108.800 -0.038 0.000 2.302 392 G HA2 0.369 4.330 3.960 0.001 0.000 0.264 392 G HA3 0.369 4.330 3.960 0.001 0.000 0.264 392 G C -1.161 173.711 174.900 -0.047 0.000 1.335 392 G CA -0.457 44.620 45.100 -0.038 0.000 0.982 392 G HN 0.944 nan 8.290 nan 0.000 0.473 393 T N 1.061 115.584 114.554 -0.052 0.000 2.792 393 T HA 0.585 4.935 4.350 0.001 0.000 0.280 393 T C 0.310 174.980 174.700 -0.049 0.000 0.990 393 T CA -0.222 61.839 62.100 -0.065 0.000 0.960 393 T CB 1.167 69.991 68.868 -0.073 0.000 0.939 393 T HN 0.540 nan 8.240 nan 0.000 0.439 394 I N 4.846 125.371 120.570 -0.074 0.000 2.421 394 I HA 0.121 4.291 4.170 0.001 0.000 0.291 394 I C 1.803 177.935 176.117 0.026 0.000 1.089 394 I CA -0.182 61.098 61.300 -0.032 0.000 1.354 394 I CB 0.537 38.493 38.000 -0.073 0.000 1.413 394 I HN 0.743 nan 8.210 nan 0.000 0.513 395 I N 3.979 124.594 120.570 0.074 0.000 2.439 395 I HA 0.173 4.343 4.170 0.001 0.000 0.251 395 I C 0.954 177.146 176.117 0.125 0.000 1.139 395 I CA 0.701 62.087 61.300 0.143 0.000 1.438 395 I CB 0.025 38.128 38.000 0.171 0.000 1.085 395 I HN 0.523 nan 8.210 nan 0.000 0.427 396 A N -0.283 122.604 122.820 0.111 0.000 2.547 396 A HA 0.654 4.975 4.320 0.001 0.000 0.297 396 A C -1.830 175.860 177.584 0.177 0.000 1.056 396 A CA -0.352 51.761 52.037 0.126 0.000 0.688 396 A CB 0.859 19.909 19.000 0.083 0.000 1.282 396 A HN 0.315 nan 8.150 nan 0.000 0.400 397 Y N 1.527 121.860 120.300 0.055 0.000 2.346 397 Y HA 0.743 5.293 4.550 0.001 0.000 0.332 397 Y C -0.552 175.387 175.900 0.064 0.000 0.985 397 Y CA -0.474 57.661 58.100 0.059 0.000 1.112 397 Y CB 1.600 40.108 38.460 0.080 0.000 1.170 397 Y HN 0.707 nan 8.280 nan 0.000 0.447 398 R N 3.899 124.128 120.500 -0.452 0.000 2.502 398 R HA 0.460 4.800 4.340 0.001 0.000 0.298 398 R C -0.545 175.467 176.300 -0.480 0.000 1.018 398 R CA -0.522 55.357 56.100 -0.368 0.000 0.899 398 R CB 1.860 32.074 30.300 -0.143 0.000 1.181 398 R HN 0.810 nan 8.270 nan 0.000 0.444 399 S N 0.896 116.338 115.700 -0.431 0.000 2.561 399 S HA 0.576 5.046 4.470 0.001 0.000 0.282 399 S C 0.560 175.091 174.600 -0.116 0.000 1.123 399 S CA 0.233 58.270 58.200 -0.272 0.000 1.011 399 S CB 1.136 64.235 63.200 -0.169 0.000 1.244 399 S HN 0.527 nan 8.310 nan 0.000 0.503 400 S N -0.921 114.747 115.700 -0.055 0.000 3.733 400 S HA 0.839 5.310 4.470 0.001 0.000 0.178 400 S C 0.967 175.568 174.600 0.002 0.000 1.032 400 S CA 0.142 58.327 58.200 -0.025 0.000 1.191 400 S CB -0.369 62.816 63.200 -0.025 0.000 1.657 400 S HN 2.259 nan 8.310 nan 0.000 0.863 401 G N 0.001 108.806 108.800 0.009 0.000 2.337 401 G HA2 0.454 4.414 3.960 0.001 0.000 0.197 401 G HA3 0.454 4.414 3.960 0.001 0.000 0.197 401 G C 0.325 175.241 174.900 0.026 0.000 1.238 401 G CA 0.085 45.199 45.100 0.022 0.000 1.119 401 G HN 2.516 nan 8.290 nan 0.000 0.514 402 G N -1.679 107.149 108.800 0.047 0.000 2.619 402 G HA2 0.462 4.423 3.960 0.001 0.000 0.686 402 G HA3 0.462 4.423 3.960 0.001 0.000 0.686 402 G C -0.094 174.865 174.900 0.099 0.000 1.256 402 G CA 0.125 45.272 45.100 0.078 0.000 0.826 402 G HN 2.234 nan 8.290 nan 0.000 0.619 403 F N 1.606 121.565 119.950 0.014 0.000 2.623 403 F HA 0.363 4.890 4.527 0.001 0.000 0.383 403 F C 1.541 177.354 175.800 0.022 0.000 1.077 403 F CA 1.810 59.820 58.000 0.017 0.000 1.268 403 F CB 0.480 39.484 39.000 0.006 0.000 1.053 403 F HN 2.378 nan 8.300 nan 0.000 0.571 404 G N 3.933 112.304 108.800 -0.714 0.000 2.160 404 G HA2 -0.191 3.769 3.960 0.001 0.000 0.251 404 G HA3 -0.191 3.769 3.960 0.001 0.000 0.251 404 G C -0.687 174.056 174.900 -0.262 0.000 1.008 404 G CA 0.045 44.734 45.100 -0.685 0.000 0.724 404 G HN 0.898 nan 8.290 nan 0.000 0.514 405 V N 0.358 120.189 119.914 -0.139 0.000 2.680 405 V HA 0.847 4.967 4.120 0.001 0.000 0.309 405 V C 0.169 176.251 176.094 -0.020 0.000 1.052 405 V CA -1.194 61.072 62.300 -0.056 0.000 0.908 405 V CB 2.040 33.844 31.823 -0.032 0.000 1.001 405 V HN 0.309 nan 8.190 nan 0.000 0.431 406 R N 3.651 124.147 120.500 -0.007 0.000 2.502 406 R HA 0.593 4.933 4.340 0.001 0.000 0.300 406 R C -1.796 174.518 176.300 0.024 0.000 0.984 406 R CA -0.629 55.476 56.100 0.009 0.000 0.882 406 R CB 1.689 31.986 30.300 -0.005 0.000 1.180 406 R HN 0.678 nan 8.270 nan 0.000 0.444 407 L N 4.304 125.554 121.223 0.045 0.000 2.301 407 L HA 0.364 4.705 4.340 0.001 0.000 0.278 407 L C -0.307 176.610 176.870 0.078 0.000 1.022 407 L CA -0.490 54.392 54.840 0.070 0.000 0.854 407 L CB 1.577 43.692 42.059 0.093 0.000 1.226 407 L HN 0.261 nan 8.230 nan 0.000 0.429 408 D N 3.848 124.290 120.400 0.071 0.000 2.347 408 D HA 0.383 5.024 4.640 0.001 0.000 0.235 408 D C -0.005 176.349 176.300 0.090 0.000 1.149 408 D CA 0.011 54.056 54.000 0.074 0.000 0.850 408 D CB 2.063 42.903 40.800 0.067 0.000 1.061 408 D HN 0.476 nan 8.370 nan 0.000 0.487 409 A N 1.936 124.812 122.820 0.093 0.000 2.309 409 A HA 0.664 4.984 4.320 0.001 0.000 0.298 409 A C 0.812 178.440 177.584 0.072 0.000 1.165 409 A CA -0.272 51.823 52.037 0.096 0.000 0.821 409 A CB 1.422 20.484 19.000 0.102 0.000 1.102 409 A HN 0.569 nan 8.150 nan 0.000 0.500 410 G N -0.097 108.749 108.800 0.076 0.000 2.694 410 G HA2 0.228 4.188 3.960 0.001 0.000 0.212 410 G HA3 0.228 4.188 3.960 0.001 0.000 0.212 410 G C 0.268 175.243 174.900 0.125 0.000 2.030 410 G CA 0.301 45.445 45.100 0.073 0.000 0.731 410 G HN 0.554 nan 8.290 nan 0.000 0.795 411 D N 1.200 121.657 120.400 0.095 0.000 2.355 411 D HA 0.066 4.706 4.640 0.001 0.000 0.218 411 D C 1.346 177.612 176.300 -0.057 0.000 1.004 411 D CA 0.346 54.395 54.000 0.082 0.000 0.880 411 D CB 0.119 40.941 40.800 0.037 0.000 0.911 411 D HN 0.254 nan 8.370 nan 0.000 0.528 412 G N 1.320 110.067 108.800 -0.088 0.000 2.519 412 G HA2 0.405 4.365 3.960 0.001 0.000 0.306 412 G HA3 0.405 4.365 3.960 0.001 0.000 0.306 412 G C -0.523 173.852 174.900 -0.875 0.000 0.965 412 G CA -0.302 44.555 45.100 -0.405 0.000 1.291 412 G HN 0.094 nan 8.290 nan 0.000 0.450 413 F N -0.316 119.230 119.950 -0.674 0.000 2.719 413 F HA 0.493 5.020 4.527 0.001 0.000 0.309 413 F C -0.387 175.364 175.800 -0.081 0.000 1.138 413 F CA -1.778 55.934 58.000 -0.481 0.000 0.943 413 F CB 1.020 39.876 39.000 -0.240 0.000 1.304 413 F HN 0.486 nan 8.300 nan 0.000 0.445 414 Q N 1.209 121.153 119.800 0.240 0.000 2.271 414 Q HA 0.501 4.841 4.340 0.001 0.000 0.273 414 Q C 0.549 176.643 176.000 0.157 0.000 1.051 414 Q CA 0.137 56.047 55.803 0.177 0.000 0.901 414 Q CB 0.895 29.765 28.738 0.219 0.000 1.174 414 Q HN 1.909 nan 8.270 nan 0.000 0.385 415 G N 1.513 110.331 108.800 0.031 0.000 2.203 415 G HA2 -0.077 3.883 3.960 0.001 0.000 0.231 415 G HA3 -0.077 3.883 3.960 0.001 0.000 0.231 415 G C -0.115 174.729 174.900 -0.093 0.000 1.058 415 G CA -0.266 44.860 45.100 0.044 0.000 0.781 415 G HN 1.079 nan 8.290 nan 0.000 0.496 416 A N 0.280 122.851 122.820 -0.415 0.000 2.292 416 A HA 0.723 5.043 4.320 0.001 0.000 0.319 416 A C 0.292 177.723 177.584 -0.256 0.000 1.206 416 A CA -0.582 51.073 52.037 -0.636 0.000 0.835 416 A CB 0.678 18.837 19.000 -1.402 0.000 1.164 416 A HN 0.326 nan 8.150 nan 0.000 0.505 417 E N 3.202 123.341 120.200 -0.101 0.000 2.001 417 E HA 0.235 4.586 4.350 0.001 0.000 0.279 417 E C -0.804 175.801 176.600 0.008 0.000 1.045 417 E CA 0.018 56.404 56.400 -0.022 0.000 0.833 417 E CB 0.789 30.514 29.700 0.041 0.000 1.077 417 E HN 0.547 nan 8.360 nan 0.000 0.397 418 I N 2.752 123.312 120.570 -0.017 0.000 2.363 418 I HA -0.043 4.127 4.170 0.001 0.000 0.292 418 I C 0.587 176.727 176.117 0.039 0.000 1.075 418 I CA -0.011 61.298 61.300 0.015 0.000 1.333 418 I CB 0.308 38.296 38.000 -0.018 0.000 1.415 418 I HN 0.281 nan 8.210 nan 0.000 0.502 419 S N 7.470 123.239 115.700 0.116 0.000 2.442 419 S HA 0.433 4.903 4.470 0.001 0.000 0.297 419 S C -1.707 172.828 174.600 -0.109 0.000 1.131 419 S CA -1.428 56.825 58.200 0.090 0.000 1.092 419 S CB 1.426 64.889 63.200 0.438 0.000 0.998 419 S HN 0.452 nan 8.310 nan 0.000 0.478 420 P HA 0.028 nan 4.420 nan 0.000 0.252 420 P C -0.151 176.875 177.300 -0.456 0.000 1.265 420 P CA 0.387 63.231 63.100 -0.427 0.000 0.775 420 P CB -0.519 30.907 31.700 -0.457 0.000 1.128 421 Y N -2.018 118.218 120.300 -0.107 0.000 2.482 421 Y HA 0.171 4.721 4.550 0.001 0.000 0.270 421 Y C 0.813 176.403 175.900 -0.517 0.000 1.152 421 Y CA -0.218 57.686 58.100 -0.325 0.000 1.292 421 Y CB -0.203 37.988 38.460 -0.449 0.000 1.070 421 Y HN -0.100 nan 8.280 nan 0.000 0.528 422 Y N -0.482 119.935 120.300 0.195 0.000 2.570 422 Y HA 0.351 4.901 4.550 0.001 0.000 0.345 422 Y C -0.225 175.725 175.900 0.084 0.000 1.014 422 Y CA -2.182 56.019 58.100 0.169 0.000 1.063 422 Y CB 0.756 39.341 38.460 0.208 0.000 1.272 422 Y HN -0.210 nan 8.280 nan 0.000 0.477 423 D N 0.329 120.867 120.400 0.230 0.000 2.533 423 D HA 0.028 4.669 4.640 0.001 0.000 0.236 423 D C 0.465 176.850 176.300 0.140 0.000 1.137 423 D CA 0.422 54.501 54.000 0.132 0.000 0.867 423 D CB 0.677 41.534 40.800 0.095 0.000 1.170 423 D HN 0.541 nan 8.370 nan 0.000 0.474 424 S N 1.768 117.528 115.700 0.100 0.000 2.840 424 S HA 0.022 4.492 4.470 0.001 0.000 0.235 424 S C 0.561 175.211 174.600 0.083 0.000 0.968 424 S CA -0.724 57.529 58.200 0.088 0.000 1.026 424 S CB -0.324 62.913 63.200 0.061 0.000 0.788 424 S HN 0.344 nan 8.310 nan 0.000 0.487 425 L N 2.249 123.527 121.223 0.092 0.000 2.678 425 L HA 0.263 4.603 4.340 0.001 0.000 0.276 425 L C 0.680 177.597 176.870 0.079 0.000 1.142 425 L CA -0.093 54.801 54.840 0.089 0.000 0.961 425 L CB -0.858 41.262 42.059 0.101 0.000 1.291 425 L HN 0.355 nan 8.230 nan 0.000 0.476 426 L N 4.823 126.091 121.223 0.076 0.000 2.034 426 L HA 0.108 4.449 4.340 0.001 0.000 0.203 426 L C 0.222 177.147 176.870 0.091 0.000 1.074 426 L CA 0.518 55.398 54.840 0.067 0.000 0.748 426 L CB -0.182 41.922 42.059 0.075 0.000 0.905 426 L HN 0.448 nan 8.230 nan 0.000 0.439 427 V N -0.638 119.348 119.914 0.122 0.000 2.686 427 V HA 0.302 4.422 4.120 0.001 0.000 0.306 427 V C -0.451 175.706 176.094 0.105 0.000 1.065 427 V CA -1.063 61.320 62.300 0.138 0.000 0.894 427 V CB 1.985 33.930 31.823 0.203 0.000 1.004 427 V HN 0.056 nan 8.190 nan 0.000 0.424 428 K N 3.572 124.028 120.400 0.093 0.000 2.211 428 K HA 0.646 4.967 4.320 0.001 0.000 0.275 428 K C -1.586 175.047 176.600 0.055 0.000 1.024 428 K CA -0.573 55.755 56.287 0.068 0.000 0.887 428 K CB 1.474 34.015 32.500 0.068 0.000 1.084 428 K HN 0.594 nan 8.250 nan 0.000 0.463 429 L N 2.741 123.987 121.223 0.038 0.000 2.356 429 L HA 0.436 4.776 4.340 0.001 0.000 0.277 429 L C -1.473 175.404 176.870 0.011 0.000 0.996 429 L CA 0.064 54.920 54.840 0.028 0.000 0.822 429 L CB 2.073 44.149 42.059 0.028 0.000 1.256 429 L HN 0.512 nan 8.230 nan 0.000 0.413 430 S N 2.130 117.832 115.700 0.004 0.000 2.547 430 S HA 0.844 5.314 4.470 0.001 0.000 0.281 430 S C -0.625 173.976 174.600 0.001 0.000 1.118 430 S CA -0.548 57.651 58.200 -0.001 0.000 0.947 430 S CB 1.837 65.021 63.200 -0.027 0.000 1.053 430 S HN 0.827 nan 8.310 nan 0.000 0.482 431 T N -0.274 114.292 114.554 0.020 0.000 2.916 431 T HA 0.791 5.141 4.350 0.001 0.000 0.292 431 T C -1.296 173.457 174.700 0.088 0.000 1.064 431 T CA -0.686 61.423 62.100 0.016 0.000 1.011 431 T CB 1.815 70.679 68.868 -0.007 0.000 1.152 431 T HN 0.689 nan 8.240 nan 0.000 0.510 432 H N -0.317 118.694 119.070 -0.098 0.000 3.029 432 H HA 0.745 5.302 4.556 0.001 0.000 0.358 432 H C -1.298 173.966 175.328 -0.107 0.000 1.129 432 H CA 0.183 56.184 56.048 -0.078 0.000 1.230 432 H CB 1.430 31.129 29.762 -0.106 0.000 1.827 432 H HN 1.205 nan 8.280 nan 0.000 0.530 433 A N 3.435 126.087 122.820 -0.281 0.000 2.597 433 A HA 0.393 4.714 4.320 0.001 0.000 0.292 433 A C 0.385 177.925 177.584 -0.073 0.000 1.057 433 A CA -0.245 51.652 52.037 -0.232 0.000 0.674 433 A CB 0.063 19.020 19.000 -0.072 0.000 1.278 433 A HN 0.603 nan 8.150 nan 0.000 0.416 434 I N 0.131 120.688 120.570 -0.021 0.000 2.361 434 I HA -0.005 4.166 4.170 0.001 0.000 0.251 434 I C 1.134 177.378 176.117 0.211 0.000 1.133 434 I CA 1.745 63.087 61.300 0.070 0.000 1.413 434 I CB -0.738 37.293 38.000 0.051 0.000 1.073 434 I HN 0.605 nan 8.210 nan 0.000 0.424 435 S N -0.464 115.337 115.700 0.167 0.000 2.501 435 S HA 0.420 4.890 4.470 0.001 0.000 0.301 435 S C 0.631 175.301 174.600 0.118 0.000 1.096 435 S CA -0.791 57.507 58.200 0.164 0.000 1.063 435 S CB 1.353 64.586 63.200 0.056 0.000 1.042 435 S HN 0.220 nan 8.310 nan 0.000 0.494 436 F N 4.014 123.783 119.950 -0.301 0.000 2.063 436 F HA -0.209 4.319 4.527 0.001 0.000 0.298 436 F C 2.396 178.093 175.800 -0.172 0.000 1.109 436 F CA 2.493 60.267 58.000 -0.377 0.000 1.212 436 F CB -0.417 38.162 39.000 -0.702 0.000 0.973 436 F HN 0.788 nan 8.300 nan 0.000 0.480 437 K N 0.251 120.481 120.400 -0.282 0.000 2.063 437 K HA -0.230 4.090 4.320 0.001 0.000 0.208 437 K C 1.935 178.410 176.600 -0.208 0.000 1.048 437 K CA 1.806 57.904 56.287 -0.315 0.000 0.928 437 K CB -1.292 31.110 32.500 -0.162 0.000 0.713 437 K HN 0.472 nan 8.250 nan 0.000 0.442 438 Q N 0.579 120.313 119.800 -0.109 0.000 2.135 438 Q HA -0.078 4.262 4.340 0.001 0.000 0.204 438 Q C 2.307 178.262 176.000 -0.075 0.000 0.981 438 Q CA 1.640 57.404 55.803 -0.065 0.000 0.856 438 Q CB -0.281 28.446 28.738 -0.018 0.000 0.902 438 Q HN 0.532 nan 8.270 nan 0.000 0.425 439 A N 1.242 124.016 122.820 -0.076 0.000 1.877 439 A HA -0.216 4.104 4.320 0.001 0.000 0.216 439 A C 1.998 179.521 177.584 -0.102 0.000 1.186 439 A CA 1.437 53.446 52.037 -0.047 0.000 0.620 439 A CB -0.495 18.543 19.000 0.063 0.000 0.822 439 A HN 0.305 nan 8.150 nan 0.000 0.443 440 E N 0.302 120.359 120.200 -0.238 0.000 2.204 440 E HA -0.203 4.147 4.350 0.001 0.000 0.195 440 E C 1.723 178.245 176.600 -0.130 0.000 0.990 440 E CA 1.432 57.701 56.400 -0.217 0.000 0.821 440 E CB -0.146 29.306 29.700 -0.415 0.000 0.750 440 E HN 0.773 nan 8.360 nan 0.000 0.477 441 E N 0.139 120.268 120.200 -0.119 0.000 2.107 441 E HA -0.098 4.252 4.350 0.001 0.000 0.191 441 E C 2.173 178.740 176.600 -0.055 0.000 0.982 441 E CA 0.718 57.072 56.400 -0.077 0.000 0.809 441 E CB 0.086 29.747 29.700 -0.064 0.000 0.756 441 E HN 0.116 nan 8.360 nan 0.000 0.459 442 K N 0.239 120.607 120.400 -0.052 0.000 2.057 442 K HA -0.144 4.177 4.320 0.001 0.000 0.206 442 K C 2.107 178.683 176.600 -0.039 0.000 1.050 442 K CA 1.196 57.459 56.287 -0.041 0.000 0.935 442 K CB -0.061 32.408 32.500 -0.051 0.000 0.715 442 K HN 0.024 nan 8.250 nan 0.000 0.439 443 M N 0.679 120.253 119.600 -0.043 0.000 2.067 443 M HA -0.119 4.361 4.480 0.001 0.000 0.260 443 M C 1.968 178.239 176.300 -0.048 0.000 1.069 443 M CA 1.405 56.681 55.300 -0.039 0.000 1.117 443 M CB -0.471 32.110 32.600 -0.032 0.000 1.334 443 M HN 0.001 nan 8.290 nan 0.000 0.407 444 V N 0.462 120.341 119.914 -0.058 0.000 2.407 444 V HA -0.263 3.857 4.120 0.001 0.000 0.248 444 V C 2.571 178.637 176.094 -0.046 0.000 1.055 444 V CA 2.327 64.591 62.300 -0.060 0.000 1.049 444 V CB -0.612 31.174 31.823 -0.063 0.000 0.662 444 V HN 0.642 nan 8.190 nan 0.000 0.455 445 R N -0.464 120.012 120.500 -0.039 0.000 2.073 445 R HA -0.119 4.221 4.340 0.001 0.000 0.234 445 R C 2.418 178.701 176.300 -0.029 0.000 1.134 445 R CA 1.992 58.074 56.100 -0.030 0.000 0.952 445 R CB -0.428 29.858 30.300 -0.023 0.000 0.850 445 R HN 0.594 nan 8.270 nan 0.000 0.433 446 S N 1.148 116.832 115.700 -0.028 0.000 2.383 446 S HA -0.087 4.384 4.470 0.001 0.000 0.227 446 S C 1.964 176.547 174.600 -0.028 0.000 1.026 446 S CA 0.998 59.183 58.200 -0.025 0.000 0.981 446 S CB -0.167 63.021 63.200 -0.019 0.000 0.818 446 S HN 0.261 nan 8.310 nan 0.000 0.472 447 L N 1.056 122.260 121.223 -0.031 0.000 2.017 447 L HA -0.112 4.228 4.340 0.001 0.000 0.208 447 L C 2.771 179.622 176.870 -0.032 0.000 1.073 447 L CA 1.321 56.142 54.840 -0.031 0.000 0.745 447 L CB -0.452 41.581 42.059 -0.042 0.000 0.894 447 L HN 0.212 nan 8.230 nan 0.000 0.432 448 R N -0.018 120.462 120.500 -0.034 0.000 2.120 448 R HA -0.161 4.180 4.340 0.001 0.000 0.234 448 R C 1.847 178.128 176.300 -0.031 0.000 1.123 448 R CA 1.223 57.304 56.100 -0.031 0.000 0.975 448 R CB -0.180 30.102 30.300 -0.030 0.000 0.866 448 R HN 0.484 nan 8.270 nan 0.000 0.446 449 E N -0.450 119.730 120.200 -0.034 0.000 2.478 449 E HA 0.064 4.414 4.350 0.001 0.000 0.194 449 E C 0.228 176.794 176.600 -0.055 0.000 1.045 449 E CA -0.132 56.245 56.400 -0.038 0.000 0.868 449 E CB 0.323 30.004 29.700 -0.032 0.000 0.885 449 E HN 0.132 nan 8.360 nan 0.000 0.505 450 M N 0.782 120.348 119.600 -0.058 0.000 2.243 450 M HA 0.209 4.689 4.480 0.001 0.000 0.341 450 M C -0.006 176.249 176.300 -0.075 0.000 1.130 450 M CA 0.616 55.865 55.300 -0.084 0.000 1.162 450 M CB 0.818 33.385 32.600 -0.056 0.000 1.497 450 M HN -0.181 nan 8.290 nan 0.000 0.456 451 R N 2.731 123.167 120.500 -0.106 0.000 2.518 451 R HA 0.608 4.948 4.340 0.001 0.000 0.296 451 R C -1.470 174.804 176.300 -0.045 0.000 1.080 451 R CA -0.280 55.782 56.100 -0.062 0.000 0.922 451 R CB 1.594 31.862 30.300 -0.053 0.000 1.184 451 R HN 0.627 nan 8.270 nan 0.000 0.445 452 I N 2.909 123.485 120.570 0.011 0.000 2.498 452 I HA 0.538 4.709 4.170 0.001 0.000 0.290 452 I C -0.338 175.808 176.117 0.048 0.000 1.032 452 I CA -0.797 60.546 61.300 0.071 0.000 1.073 452 I CB 2.096 40.167 38.000 0.120 0.000 1.251 452 I HN 0.365 nan 8.210 nan 0.000 0.426 453 R N 3.318 123.852 120.500 0.056 0.000 2.725 453 R HA 0.719 5.059 4.340 0.001 0.000 0.277 453 R C 0.339 176.661 176.300 0.036 0.000 0.987 453 R CA -0.514 55.608 56.100 0.037 0.000 0.901 453 R CB 2.076 32.398 30.300 0.036 0.000 1.207 453 R HN 0.901 nan 8.270 nan 0.000 0.463 454 G N 0.426 109.238 108.800 0.020 0.000 2.391 454 G HA2 -0.228 3.732 3.960 0.001 0.000 0.204 454 G HA3 -0.228 3.732 3.960 0.001 0.000 0.204 454 G C -0.365 174.531 174.900 -0.007 0.000 1.012 454 G CA -0.024 45.082 45.100 0.009 0.000 0.651 454 G HN 0.675 nan 8.290 nan 0.000 0.494 455 V N -1.422 118.489 119.914 -0.005 0.000 2.841 455 V HA 0.850 4.970 4.120 0.001 0.000 0.310 455 V C -0.093 175.995 176.094 -0.011 0.000 1.090 455 V CA -1.669 60.623 62.300 -0.014 0.000 0.930 455 V CB 1.658 33.471 31.823 -0.017 0.000 1.014 455 V HN 0.323 nan 8.190 nan 0.000 0.425 456 K N 2.013 122.399 120.400 -0.024 0.000 2.319 456 K HA 0.615 4.935 4.320 0.001 0.000 0.265 456 K C 0.545 177.128 176.600 -0.028 0.000 1.000 456 K CA 0.385 56.653 56.287 -0.031 0.000 0.943 456 K CB 0.715 33.183 32.500 -0.052 0.000 0.950 456 K HN 1.134 nan 8.250 nan 0.000 0.485 457 T N -2.386 112.153 114.554 -0.025 0.000 2.831 457 T HA 0.277 4.628 4.350 0.001 0.000 0.287 457 T C 0.360 175.044 174.700 -0.028 0.000 1.070 457 T CA -0.964 61.130 62.100 -0.010 0.000 1.010 457 T CB 0.884 69.766 68.868 0.023 0.000 1.264 457 T HN 0.570 nan 8.240 nan 0.000 0.532 458 N N -0.172 118.536 118.700 0.013 0.000 2.280 458 N HA 0.112 4.852 4.740 0.001 0.000 0.192 458 N C 1.430 177.005 175.510 0.108 0.000 1.109 458 N CA -0.099 52.984 53.050 0.054 0.000 0.855 458 N CB -0.684 37.896 38.487 0.155 0.000 0.974 458 N HN 0.693 nan 8.380 nan 0.000 0.482 459 I N 1.169 121.771 120.570 0.053 0.000 2.145 459 I HA -0.206 3.964 4.170 0.001 0.000 0.244 459 I C -0.644 175.482 176.117 0.015 0.000 1.075 459 I CA 1.532 62.850 61.300 0.029 0.000 1.332 459 I CB -1.213 36.796 38.000 0.014 0.000 1.033 459 I HN 0.108 nan 8.210 nan 0.000 0.410 460 P HA -0.189 nan 4.420 nan 0.000 0.218 460 P C 1.633 178.953 177.300 0.034 0.000 1.149 460 P CA 1.333 64.442 63.100 0.016 0.000 0.817 460 P CB -0.109 31.604 31.700 0.021 0.000 0.785 461 F N 0.359 120.259 119.950 -0.082 0.000 2.113 461 F HA -0.091 4.437 4.527 0.001 0.000 0.297 461 F C 1.938 177.674 175.800 -0.106 0.000 1.103 461 F CA 1.309 59.245 58.000 -0.106 0.000 1.248 461 F CB -1.045 37.911 39.000 -0.072 0.000 0.999 461 F HN -0.279 nan 8.300 nan 0.000 0.475 462 L N 0.017 121.096 121.223 -0.241 0.000 2.046 462 L HA -0.247 4.093 4.340 0.001 0.000 0.208 462 L C 2.531 179.215 176.870 -0.310 0.000 1.077 462 L CA 1.514 56.150 54.840 -0.340 0.000 0.747 462 L CB -0.757 41.221 42.059 -0.135 0.000 0.896 462 L HN 0.171 nan 8.230 nan 0.000 0.432 463 I N -0.076 120.380 120.570 -0.188 0.000 2.151 463 I HA -0.371 3.799 4.170 0.001 0.000 0.243 463 I C 2.244 178.250 176.117 -0.185 0.000 1.080 463 I CA 1.710 62.919 61.300 -0.152 0.000 1.339 463 I CB -0.514 37.433 38.000 -0.089 0.000 1.039 463 I HN 0.374 nan 8.210 nan 0.000 0.409 464 N N 0.205 118.778 118.700 -0.212 0.000 2.104 464 N HA -0.165 4.575 4.740 0.001 0.000 0.190 464 N C 1.913 177.270 175.510 -0.255 0.000 1.024 464 N CA 1.347 54.273 53.050 -0.206 0.000 0.853 464 N CB -0.011 38.360 38.487 -0.193 0.000 1.008 464 N HN 0.147 nan 8.380 nan 0.000 0.424 465 V N 1.821 121.478 119.914 -0.428 0.000 2.261 465 V HA -0.241 3.880 4.120 0.001 0.000 0.246 465 V C 2.443 178.301 176.094 -0.394 0.000 1.047 465 V CA 1.393 63.450 62.300 -0.406 0.000 1.015 465 V CB -0.384 31.067 31.823 -0.620 0.000 0.642 465 V HN 0.334 nan 8.190 nan 0.000 0.446 466 M N -0.520 118.830 119.600 -0.417 0.000 2.080 466 M HA -0.146 4.334 4.480 0.001 0.000 0.260 466 M C 2.158 178.427 176.300 -0.051 0.000 1.068 466 M CA 1.678 56.810 55.300 -0.280 0.000 1.109 466 M CB -1.163 31.316 32.600 -0.202 0.000 1.342 466 M HN 0.222 nan 8.290 nan 0.000 0.405 467 K N 0.462 120.820 120.400 -0.071 0.000 2.288 467 K HA 0.020 4.340 4.320 0.001 0.000 0.201 467 K C 0.780 177.397 176.600 0.028 0.000 1.048 467 K CA 0.019 56.292 56.287 -0.022 0.000 0.956 467 K CB -0.580 31.895 32.500 -0.040 0.000 0.746 467 K HN 0.391 nan 8.250 nan 0.000 0.461 468 N N 1.787 120.521 118.700 0.056 0.000 2.454 468 N HA -0.058 4.682 4.740 0.001 0.000 0.254 468 N C 0.766 176.378 175.510 0.171 0.000 1.228 468 N CA 0.364 53.489 53.050 0.126 0.000 0.900 468 N CB 0.803 39.413 38.487 0.205 0.000 1.089 468 N HN -0.011 nan 8.380 nan 0.000 0.449 469 K N 2.961 123.447 120.400 0.144 0.000 2.097 469 K HA -0.141 4.180 4.320 0.001 0.000 0.206 469 K C 1.468 178.159 176.600 0.151 0.000 1.049 469 K CA 1.326 57.686 56.287 0.122 0.000 0.933 469 K CB 0.079 32.636 32.500 0.095 0.000 0.717 469 K HN 0.561 nan 8.250 nan 0.000 0.442 470 K N -0.004 120.534 120.400 0.229 0.000 2.148 470 K HA -0.114 4.207 4.320 0.001 0.000 0.204 470 K C 1.950 178.621 176.600 0.119 0.000 1.050 470 K CA 1.017 57.444 56.287 0.234 0.000 0.942 470 K CB -0.144 32.619 32.500 0.438 0.000 0.724 470 K HN 0.094 nan 8.250 nan 0.000 0.446 471 F N 1.999 121.849 119.950 -0.166 0.000 2.163 471 F HA -0.205 4.322 4.527 0.001 0.000 0.297 471 F C 2.321 178.195 175.800 0.123 0.000 1.094 471 F CA 1.652 59.438 58.000 -0.357 0.000 1.290 471 F CB -0.218 38.497 39.000 -0.476 0.000 1.017 471 F HN -0.005 nan 8.300 nan 0.000 0.483 472 T N -1.827 112.754 114.554 0.044 0.000 2.915 472 T HA -0.154 4.196 4.350 0.001 0.000 0.269 472 T C 2.129 176.910 174.700 0.135 0.000 1.071 472 T CA 1.035 63.169 62.100 0.056 0.000 1.132 472 T CB -1.007 67.862 68.868 0.000 0.000 0.878 472 T HN 0.403 nan 8.240 nan 0.000 0.479 473 S N 1.251 116.991 115.700 0.066 0.000 2.419 473 S HA 0.210 4.680 4.470 0.001 0.000 0.233 473 S C 2.287 176.841 174.600 -0.077 0.000 1.016 473 S CA 0.998 59.207 58.200 0.014 0.000 0.974 473 S CB -1.054 62.162 63.200 0.027 0.000 0.786 473 S HN 1.147 nan 8.310 nan 0.000 0.492 474 G N 1.048 109.786 108.800 -0.103 0.000 2.320 474 G HA2 -0.238 3.722 3.960 0.001 0.000 0.242 474 G HA3 -0.238 3.722 3.960 0.001 0.000 0.242 474 G C -0.337 174.259 174.900 -0.506 0.000 1.033 474 G CA 0.210 45.076 45.100 -0.390 0.000 0.620 474 G HN 0.574 nan 8.290 nan 0.000 0.517 475 D N 1.247 121.498 120.400 -0.248 0.000 2.402 475 D HA 0.561 5.201 4.640 0.001 0.000 0.235 475 D C 0.066 176.318 176.300 -0.080 0.000 1.226 475 D CA 0.291 54.164 54.000 -0.211 0.000 0.918 475 D CB -0.315 40.431 40.800 -0.090 0.000 1.043 475 D HN 0.697 nan 8.370 nan 0.000 0.506 476 Y N -1.310 118.948 120.300 -0.070 0.000 2.581 476 Y HA 0.624 5.175 4.550 0.001 0.000 0.337 476 Y C -0.070 175.854 175.900 0.039 0.000 1.108 476 Y CA -1.276 56.811 58.100 -0.021 0.000 1.033 476 Y CB 0.799 39.138 38.460 -0.202 0.000 1.318 476 Y HN 0.081 nan 8.280 nan 0.000 0.459 477 T N -3.140 111.611 114.554 0.330 0.000 2.804 477 T HA 0.308 4.658 4.350 0.001 0.000 0.272 477 T C 0.969 175.873 174.700 0.339 0.000 0.986 477 T CA -0.128 62.125 62.100 0.255 0.000 0.999 477 T CB 0.989 69.966 68.868 0.183 0.000 1.307 477 T HN 0.954 nan 8.240 nan 0.000 0.586 478 T N -1.557 113.154 114.554 0.262 0.000 3.007 478 T HA 0.025 4.375 4.350 0.001 0.000 0.270 478 T C 1.454 176.304 174.700 0.250 0.000 1.107 478 T CA 0.339 62.595 62.100 0.259 0.000 1.118 478 T CB -0.338 68.668 68.868 0.230 0.000 0.889 478 T HN 0.459 nan 8.240 nan 0.000 0.506 479 K N 0.370 120.917 120.400 0.245 0.000 2.366 479 K HA 0.121 4.441 4.320 0.001 0.000 0.198 479 K C 1.635 178.362 176.600 0.212 0.000 1.044 479 K CA 0.237 56.648 56.287 0.208 0.000 0.973 479 K CB -0.602 32.010 32.500 0.187 0.000 0.767 479 K HN 0.483 nan 8.250 nan 0.000 0.475 480 F N 2.496 122.531 119.950 0.142 0.000 2.063 480 F HA -0.308 4.219 4.527 0.001 0.000 0.298 480 F C 1.890 177.740 175.800 0.083 0.000 1.105 480 F CA 1.594 59.667 58.000 0.122 0.000 1.215 480 F CB -0.407 38.673 39.000 0.134 0.000 0.972 480 F HN -0.116 nan 8.300 nan 0.000 0.483 481 I N 0.676 121.123 120.570 -0.205 0.000 2.163 481 I HA -0.280 3.890 4.170 0.001 0.000 0.240 481 I C 2.569 178.621 176.117 -0.108 0.000 1.081 481 I CA 1.885 63.006 61.300 -0.299 0.000 1.353 481 I CB -0.824 37.162 38.000 -0.024 0.000 1.054 481 I HN 0.364 nan 8.210 nan 0.000 0.407 482 E N 1.197 121.398 120.200 0.002 0.000 2.204 482 E HA -0.236 4.114 4.350 0.001 0.000 0.194 482 E C 1.461 178.081 176.600 0.033 0.000 0.989 482 E CA 1.152 57.579 56.400 0.045 0.000 0.824 482 E CB -0.344 29.381 29.700 0.041 0.000 0.756 482 E HN 0.552 nan 8.360 nan 0.000 0.477 483 E N 0.539 120.744 120.200 0.009 0.000 2.502 483 E HA 0.041 4.392 4.350 0.001 0.000 0.194 483 E C -0.367 176.226 176.600 -0.012 0.000 1.062 483 E CA 0.320 56.733 56.400 0.022 0.000 0.867 483 E CB 0.511 30.249 29.700 0.063 0.000 0.888 483 E HN 0.097 nan 8.360 nan 0.000 0.510 484 T N 1.483 115.990 114.554 -0.080 0.000 3.150 484 T HA 0.164 4.514 4.350 0.001 0.000 0.383 484 T C -2.285 172.402 174.700 -0.022 0.000 1.313 484 T CA -1.393 60.641 62.100 -0.109 0.000 1.235 484 T CB 1.392 70.061 68.868 -0.332 0.000 1.088 484 T HN -0.075 nan 8.240 nan 0.000 0.556 485 P HA -0.068 nan 4.420 nan 0.000 0.223 485 P C 1.518 178.931 177.300 0.188 0.000 1.151 485 P CA 0.549 63.754 63.100 0.176 0.000 0.787 485 P CB 0.247 32.011 31.700 0.108 0.000 0.788 486 E N 0.450 120.691 120.200 0.069 0.000 2.512 486 E HA -0.046 4.304 4.350 0.001 0.000 0.195 486 E C 1.322 177.916 176.600 -0.011 0.000 1.083 486 E CA 0.356 56.784 56.400 0.046 0.000 0.873 486 E CB -0.845 28.869 29.700 0.023 0.000 0.897 486 E HN 0.314 nan 8.360 nan 0.000 0.514 487 L N -0.426 120.731 121.223 -0.109 0.000 2.395 487 L HA 0.071 4.412 4.340 0.001 0.000 0.218 487 L C 1.024 177.752 176.870 -0.236 0.000 1.130 487 L CA 0.545 55.228 54.840 -0.262 0.000 0.826 487 L CB -0.241 41.550 42.059 -0.447 0.000 0.941 487 L HN 0.033 nan 8.230 nan 0.000 0.451 488 F N -1.422 118.615 119.950 0.144 0.000 2.668 488 F HA 0.122 4.649 4.527 0.001 0.000 0.297 488 F C 0.855 176.682 175.800 0.045 0.000 1.124 488 F CA -0.393 57.666 58.000 0.098 0.000 1.353 488 F CB -0.053 38.967 39.000 0.034 0.000 0.992 488 F HN -0.088 nan 8.300 nan 0.000 0.524 489 D N 2.359 122.841 120.400 0.137 0.000 2.508 489 D HA 0.194 4.834 4.640 0.001 0.000 0.224 489 D C -0.322 176.014 176.300 0.059 0.000 1.171 489 D CA 0.311 54.360 54.000 0.082 0.000 1.006 489 D CB -0.049 40.779 40.800 0.046 0.000 1.073 489 D HN 0.225 nan 8.370 nan 0.000 0.513 490 I N 3.053 123.662 120.570 0.065 0.000 2.411 490 I HA 0.106 4.277 4.170 0.001 0.000 0.284 490 I C -0.014 176.115 176.117 0.020 0.000 1.012 490 I CA -0.827 60.498 61.300 0.041 0.000 1.119 490 I CB 1.622 39.652 38.000 0.050 0.000 1.261 490 I HN -0.052 nan 8.210 nan 0.000 0.448 491 Q N 7.349 127.155 119.800 0.011 0.000 2.340 491 Q HA 0.309 4.650 4.340 0.001 0.000 0.249 491 Q C -2.150 173.848 176.000 -0.004 0.000 0.957 491 Q CA -1.330 54.474 55.803 0.003 0.000 0.882 491 Q CB 0.048 28.787 28.738 0.001 0.000 1.235 491 Q HN 0.346 nan 8.270 nan 0.000 0.439 492 P HA -0.063 nan 4.420 nan 0.000 0.264 492 P C -0.643 176.649 177.300 -0.012 0.000 1.193 492 P CA 0.023 63.115 63.100 -0.014 0.000 0.763 492 P CB 0.738 32.428 31.700 -0.017 0.000 0.810 493 S N 4.670 120.362 115.700 -0.013 0.000 2.686 493 S HA 0.121 4.591 4.470 0.001 0.000 0.324 493 S C 0.805 175.398 174.600 -0.012 0.000 1.172 493 S CA -0.832 57.361 58.200 -0.012 0.000 1.127 493 S CB -1.098 62.095 63.200 -0.011 0.000 1.338 493 S HN 0.257 nan 8.310 nan 0.000 0.547 494 L N 2.923 124.140 121.223 -0.011 0.000 2.640 494 L HA 0.311 4.651 4.340 0.001 0.000 0.280 494 L C 0.130 176.995 176.870 -0.009 0.000 1.229 494 L CA 0.529 55.363 54.840 -0.010 0.000 0.919 494 L CB -0.606 41.448 42.059 -0.008 0.000 1.168 494 L HN 0.471 nan 8.230 nan 0.000 0.496 495 D N 2.220 122.615 120.400 -0.008 0.000 2.429 495 D HA 0.306 4.947 4.640 0.001 0.000 0.255 495 D C 0.880 177.179 176.300 -0.001 0.000 1.257 495 D CA -0.509 53.488 54.000 -0.005 0.000 0.890 495 D CB 0.850 41.648 40.800 -0.004 0.000 1.267 495 D HN 0.412 nan 8.370 nan 0.000 0.521 496 R N 1.016 121.515 120.500 -0.002 0.000 2.062 496 R HA 0.191 4.532 4.340 0.001 0.000 0.229 496 R C 2.204 178.504 176.300 0.001 0.000 1.128 496 R CA 1.416 57.517 56.100 0.002 0.000 0.960 496 R CB -0.649 29.650 30.300 -0.002 0.000 0.855 496 R HN 0.430 nan 8.270 nan 0.000 0.432 497 G N -0.542 108.252 108.800 -0.010 0.000 2.446 497 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 497 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 497 G C 1.329 176.211 174.900 -0.030 0.000 1.168 497 G CA 1.505 46.591 45.100 -0.025 0.000 0.771 497 G HN 0.312 nan 8.290 nan 0.000 0.551 498 T N 0.711 115.258 114.554 -0.012 0.000 2.708 498 T HA -0.057 4.294 4.350 0.001 0.000 0.266 498 T C 2.345 177.062 174.700 0.030 0.000 1.037 498 T CA 1.421 63.520 62.100 -0.001 0.000 1.146 498 T CB -0.177 68.700 68.868 0.015 0.000 0.865 498 T HN 0.294 nan 8.240 nan 0.000 0.435 499 K N 0.516 120.946 120.400 0.050 0.000 2.074 499 K HA -0.116 4.205 4.320 0.001 0.000 0.209 499 K C 2.527 179.235 176.600 0.180 0.000 1.048 499 K CA 1.551 57.907 56.287 0.115 0.000 0.926 499 K CB -0.377 32.176 32.500 0.088 0.000 0.713 499 K HN 0.244 nan 8.250 nan 0.000 0.444 500 T N 1.806 116.414 114.554 0.089 0.000 2.821 500 T HA -0.057 4.293 4.350 0.001 0.000 0.267 500 T C 1.774 176.503 174.700 0.048 0.000 1.046 500 T CA 0.923 63.066 62.100 0.072 0.000 1.139 500 T CB -0.104 68.767 68.868 0.005 0.000 0.871 500 T HN 0.128 nan 8.240 nan 0.000 0.454 501 L N 0.887 122.072 121.223 -0.062 0.000 2.191 501 L HA -0.064 4.276 4.340 0.001 0.000 0.212 501 L C 2.729 179.642 176.870 0.072 0.000 1.103 501 L CA 1.038 55.759 54.840 -0.199 0.000 0.769 501 L CB -0.581 41.230 42.059 -0.413 0.000 0.908 501 L HN 0.273 nan 8.230 nan 0.000 0.438 502 E N -0.328 119.971 120.200 0.165 0.000 2.072 502 E HA -0.243 4.108 4.350 0.001 0.000 0.191 502 E C 2.034 178.799 176.600 0.275 0.000 0.985 502 E CA 1.359 57.919 56.400 0.268 0.000 0.801 502 E CB -0.349 29.556 29.700 0.342 0.000 0.750 502 E HN 0.519 nan 8.360 nan 0.000 0.452 503 Y N 1.686 122.028 120.300 0.070 0.000 2.089 503 Y HA -0.189 4.361 4.550 0.001 0.000 0.282 503 Y C 2.313 178.130 175.900 -0.138 0.000 1.139 503 Y CA 1.563 59.466 58.100 -0.328 0.000 1.123 503 Y CB -0.285 37.923 38.460 -0.421 0.000 0.980 503 Y HN -0.131 nan 8.280 nan 0.000 0.493 504 I N 0.244 120.856 120.570 0.070 0.000 2.208 504 I HA -0.305 3.865 4.170 0.001 0.000 0.245 504 I C 2.679 178.817 176.117 0.034 0.000 1.097 504 I CA 1.531 62.858 61.300 0.046 0.000 1.363 504 I CB -1.033 37.063 38.000 0.160 0.000 1.051 504 I HN 0.426 nan 8.210 nan 0.000 0.413 505 G N 0.327 109.208 108.800 0.135 0.000 2.442 505 G HA2 -0.315 3.645 3.960 0.001 0.000 0.219 505 G HA3 -0.315 3.645 3.960 0.001 0.000 0.219 505 G C 1.467 176.375 174.900 0.013 0.000 1.141 505 G CA 1.112 46.289 45.100 0.129 0.000 0.763 505 G HN 0.454 nan 8.290 nan 0.000 0.554 506 N N -0.127 118.535 118.700 -0.063 0.000 2.109 506 N HA -0.091 4.649 4.740 0.001 0.000 0.188 506 N C 2.320 177.725 175.510 -0.176 0.000 1.034 506 N CA 1.236 54.225 53.050 -0.102 0.000 0.846 506 N CB 0.004 38.425 38.487 -0.111 0.000 1.010 506 N HN 0.161 nan 8.380 nan 0.000 0.425 507 V N 0.887 120.596 119.914 -0.342 0.000 2.490 507 V HA -0.159 3.962 4.120 0.001 0.000 0.250 507 V C 2.237 178.275 176.094 -0.093 0.000 1.061 507 V CA 1.594 63.734 62.300 -0.267 0.000 1.064 507 V CB -0.761 30.803 31.823 -0.431 0.000 0.670 507 V HN 0.384 nan 8.190 nan 0.000 0.461 508 T N 0.269 114.788 114.554 -0.058 0.000 2.746 508 T HA -0.051 4.300 4.350 0.001 0.000 0.267 508 T C 1.756 176.462 174.700 0.011 0.000 1.039 508 T CA 1.682 63.788 62.100 0.010 0.000 1.142 508 T CB -0.155 68.729 68.868 0.028 0.000 0.866 508 T HN 0.386 nan 8.240 nan 0.000 0.444 509 I N 0.660 121.228 120.570 -0.005 0.000 2.494 509 I HA 0.037 4.208 4.170 0.001 0.000 0.250 509 I C 1.651 177.771 176.117 0.004 0.000 1.112 509 I CA 0.765 62.068 61.300 0.005 0.000 1.438 509 I CB -0.079 37.926 38.000 0.009 0.000 1.111 509 I HN 0.116 nan 8.210 nan 0.000 0.431 510 N N 0.547 119.240 118.700 -0.012 0.000 2.184 510 N HA 0.208 4.949 4.740 0.001 0.000 0.206 510 N C 0.677 176.178 175.510 -0.015 0.000 1.151 510 N CA 0.739 53.782 53.050 -0.011 0.000 0.878 510 N CB 1.203 39.681 38.487 -0.014 0.000 1.014 510 N HN 0.365 nan 8.380 nan 0.000 0.512 511 G N 1.257 110.049 108.800 -0.013 0.000 2.782 511 G HA2 -0.248 3.713 3.960 0.001 0.000 0.228 511 G HA3 -0.248 3.713 3.960 0.001 0.000 0.228 511 G C -1.088 173.824 174.900 0.021 0.000 1.372 511 G CA -0.655 44.453 45.100 0.012 0.000 0.862 511 G HN 0.193 nan 8.290 nan 0.000 0.547 512 F N 1.377 121.254 119.950 -0.121 0.000 2.532 512 F HA 0.682 5.209 4.527 0.001 0.000 0.321 512 F C -1.640 174.148 175.800 -0.020 0.000 1.089 512 F CA -1.761 56.184 58.000 -0.092 0.000 0.926 512 F CB 1.830 40.765 39.000 -0.110 0.000 1.168 512 F HN 0.522 nan 8.300 nan 0.000 0.459 516 V N 0.548 120.454 119.914 -0.014 0.000 2.448 516 V HA 0.305 4.425 4.120 0.001 0.000 0.295 516 V C 0.249 176.295 176.094 -0.080 0.000 1.025 516 V CA -0.659 61.533 62.300 -0.179 0.000 0.859 516 V CB 1.747 33.389 31.823 -0.301 0.000 0.988 516 V HN 0.381 nan 8.190 nan 0.000 0.431 517 E N 3.952 124.120 120.200 -0.054 0.000 2.406 517 E HA -0.052 4.298 4.350 0.001 0.000 0.247 517 E C 0.241 176.897 176.600 0.093 0.000 1.160 517 E CA -0.309 56.102 56.400 0.019 0.000 0.950 517 E CB 0.207 29.918 29.700 0.017 0.000 0.993 517 E HN 0.521 nan 8.360 nan 0.000 0.472 518 K N 5.371 125.812 120.400 0.068 0.000 2.440 518 K HA -0.129 4.192 4.320 0.001 0.000 0.275 518 K C -0.366 176.300 176.600 0.110 0.000 1.082 518 K CA 0.670 57.014 56.287 0.095 0.000 1.135 518 K CB 0.192 32.725 32.500 0.056 0.000 0.864 518 K HN 0.607 nan 8.250 nan 0.000 0.479 519 R N 2.811 123.413 120.500 0.170 0.000 2.741 519 R HA 0.485 4.826 4.340 0.001 0.000 0.274 519 R C -2.693 173.662 176.300 0.092 0.000 1.029 519 R CA -1.754 54.408 56.100 0.102 0.000 0.880 519 R CB -0.042 30.298 30.300 0.066 0.000 1.264 519 R HN 0.305 nan 8.270 nan 0.000 0.465 520 P HA -0.007 nan 4.420 nan 0.000 0.265 520 P C -1.037 176.180 177.300 -0.138 0.000 1.187 520 P CA -0.080 62.999 63.100 -0.035 0.000 0.766 520 P CB 0.478 32.141 31.700 -0.063 0.000 0.820 521 K N 4.985 125.310 120.400 -0.125 0.000 2.437 521 K HA 0.030 4.351 4.320 0.001 0.000 0.277 521 K C -2.080 174.271 176.600 -0.415 0.000 1.073 521 K CA -0.818 55.287 56.287 -0.303 0.000 1.105 521 K CB -0.616 31.846 32.500 -0.063 0.000 0.881 521 K HN 0.279 nan 8.250 nan 0.000 0.475 522 P HA -0.004 nan 4.420 nan 0.000 0.269 522 P C -1.073 175.734 177.300 -0.822 0.000 1.215 522 P CA -0.329 62.331 63.100 -0.733 0.000 0.780 522 P CB 0.554 31.707 31.700 -0.910 0.000 0.898 523 D N 0.943 121.007 120.400 -0.559 0.000 2.417 523 D HA 0.084 4.725 4.640 0.001 0.000 0.250 523 D C -1.133 174.867 176.300 -0.501 0.000 1.166 523 D CA 0.391 54.161 54.000 -0.383 0.000 0.881 523 D CB -0.048 40.630 40.800 -0.204 0.000 1.164 523 D HN 0.223 nan 8.370 nan 0.000 0.467 524 Y N 1.626 121.922 120.300 -0.006 0.000 2.364 524 Y HA 0.238 4.789 4.550 0.001 0.000 0.340 524 Y C 0.634 176.565 175.900 0.053 0.000 0.975 524 Y CA -1.100 57.036 58.100 0.060 0.000 1.089 524 Y CB 1.430 39.977 38.460 0.145 0.000 1.192 524 Y HN 0.330 nan 8.280 nan 0.000 0.454 525 E N 3.414 123.737 120.200 0.204 0.000 2.384 525 E HA 0.047 4.398 4.350 0.001 0.000 0.266 525 E C -0.501 176.172 176.600 0.120 0.000 1.012 525 E CA -0.439 56.030 56.400 0.114 0.000 0.901 525 E CB 0.698 30.442 29.700 0.072 0.000 0.967 525 E HN 0.516 nan 8.360 nan 0.000 0.435 526 L N 2.989 124.263 121.223 0.084 0.000 2.525 526 L HA 0.057 4.397 4.340 0.001 0.000 0.278 526 L C -0.424 176.485 176.870 0.064 0.000 1.218 526 L CA 0.527 55.413 54.840 0.076 0.000 0.878 526 L CB 0.429 42.519 42.059 0.051 0.000 1.127 526 L HN 0.614 nan 8.230 nan 0.000 0.492 527 A N 3.998 126.862 122.820 0.073 0.000 2.288 527 A HA 0.501 4.821 4.320 0.001 0.000 0.320 527 A C 0.063 177.694 177.584 0.079 0.000 1.217 527 A CA -0.481 51.595 52.037 0.066 0.000 0.840 527 A CB 0.712 19.747 19.000 0.059 0.000 1.179 527 A HN 0.785 nan 8.150 nan 0.000 0.504 528 S N 2.840 118.586 115.700 0.077 0.000 2.411 528 S HA 0.565 5.035 4.470 0.001 0.000 0.294 528 S C -0.348 174.307 174.600 0.093 0.000 1.115 528 S CA -0.362 57.877 58.200 0.065 0.000 1.071 528 S CB -0.165 63.058 63.200 0.039 0.000 0.967 528 S HN 0.469 nan 8.310 nan 0.000 0.488 529 I N 4.585 125.195 120.570 0.067 0.000 2.297 529 I HA 0.314 4.484 4.170 0.001 0.000 0.291 529 I C -2.176 173.920 176.117 -0.036 0.000 1.033 529 I CA -2.178 59.128 61.300 0.010 0.000 1.253 529 I CB 0.589 38.590 38.000 0.002 0.000 1.396 529 I HN 0.405 nan 8.210 nan 0.000 0.476 530 P HA 0.266 nan 4.420 nan 0.000 0.275 530 P C -0.473 176.794 177.300 -0.054 0.000 1.228 530 P CA -0.208 62.867 63.100 -0.041 0.000 0.786 530 P CB 0.849 32.529 31.700 -0.034 0.000 0.927 531 T N 1.143 115.682 114.554 -0.026 0.000 2.893 531 T HA 0.511 4.861 4.350 0.001 0.000 0.293 531 T C -0.956 173.744 174.700 -0.000 0.000 1.027 531 T CA -0.416 61.673 62.100 -0.019 0.000 0.988 531 T CB 1.116 69.974 68.868 -0.017 0.000 1.043 531 T HN 0.035 nan 8.240 nan 0.000 0.461 532 V N 2.353 122.274 119.914 0.011 0.000 2.656 532 V HA 0.552 4.672 4.120 0.001 0.000 0.307 532 V C 0.383 176.478 176.094 0.002 0.000 1.051 532 V CA -1.001 61.314 62.300 0.025 0.000 0.893 532 V CB 1.987 33.857 31.823 0.077 0.000 0.999 532 V HN 0.970 nan 8.190 nan 0.000 0.426 533 S N 3.010 118.698 115.700 -0.020 0.000 2.552 533 S HA 0.034 4.504 4.470 0.001 0.000 0.289 533 S C 1.514 176.075 174.600 -0.065 0.000 1.304 533 S CA 0.350 58.524 58.200 -0.043 0.000 1.063 533 S CB 0.830 63.998 63.200 -0.054 0.000 0.848 533 S HN 0.816 nan 8.310 nan 0.000 0.499 534 S N 4.255 119.923 115.700 -0.054 0.000 2.372 534 S HA -0.149 4.322 4.470 0.001 0.000 0.227 534 S C 2.196 176.733 174.600 -0.104 0.000 1.044 534 S CA 1.932 60.096 58.200 -0.061 0.000 1.050 534 S CB -0.719 62.454 63.200 -0.045 0.000 0.901 534 S HN 0.853 nan 8.310 nan 0.000 0.447 535 S N 1.464 117.100 115.700 -0.107 0.000 2.359 535 S HA -0.170 4.300 4.470 0.001 0.000 0.224 535 S C 1.828 176.293 174.600 -0.224 0.000 1.035 535 S CA 1.413 59.534 58.200 -0.131 0.000 1.018 535 S CB -0.313 62.827 63.200 -0.101 0.000 0.876 535 S HN 0.495 nan 8.310 nan 0.000 0.448 536 K N 0.786 121.027 120.400 -0.266 0.000 2.026 536 K HA -0.037 4.284 4.320 0.001 0.000 0.208 536 K C 0.272 176.305 176.600 -0.946 0.000 1.048 536 K CA 0.807 56.806 56.287 -0.480 0.000 0.929 536 K CB -0.199 32.109 32.500 -0.319 0.000 0.713 536 K HN 0.189 nan 8.250 nan 0.000 0.439 537 I N 2.996 123.226 120.570 -0.566 0.000 2.992 537 I HA -0.070 4.100 4.170 0.001 0.000 0.309 537 I C -0.673 175.284 176.117 -0.265 0.000 1.170 537 I CA 1.401 62.484 61.300 -0.361 0.000 1.862 537 I CB -2.256 35.729 38.000 -0.025 0.000 1.579 537 I HN 0.257 nan 8.210 nan 0.000 0.885 538 F N 1.153 121.094 119.950 -0.015 0.000 2.185 538 F HA -0.175 4.353 4.527 0.001 0.000 0.318 538 F C 0.123 175.907 175.800 -0.027 0.000 1.100 538 F CA -0.528 57.464 58.000 -0.014 0.000 0.910 538 F CB -0.432 38.564 39.000 -0.005 0.000 4.126 538 F HN 0.281 nan 8.300 nan 0.000 0.142 539 S N 1.991 117.802 115.700 0.184 0.000 2.718 539 S HA 0.729 5.199 4.470 0.001 0.000 0.294 539 S C -0.031 174.565 174.600 -0.007 0.000 1.157 539 S CA 0.292 58.525 58.200 0.054 0.000 1.121 539 S CB 0.893 64.109 63.200 0.027 0.000 1.015 539 S HN 1.028 nan 8.310 nan 0.000 0.479 540 G N 1.620 110.395 108.800 -0.042 0.000 3.039 540 G HA2 0.355 4.315 3.960 0.001 0.000 0.159 540 G HA3 0.355 4.315 3.960 0.001 0.000 0.159 540 G C 1.113 175.897 174.900 -0.194 0.000 1.284 540 G CA 0.231 45.273 45.100 -0.098 0.000 0.996 540 G HN 0.661 nan 8.290 nan 0.000 0.592 541 T N -1.520 112.898 114.554 -0.228 0.000 2.951 541 T HA 0.006 4.356 4.350 0.001 0.000 0.268 541 T C 1.969 176.502 174.700 -0.278 0.000 1.073 541 T CA 1.298 63.192 62.100 -0.342 0.000 1.134 541 T CB 0.002 68.665 68.868 -0.342 0.000 0.884 541 T HN 0.252 nan 8.240 nan 0.000 0.479 542 K N 0.940 121.217 120.400 -0.206 0.000 2.025 542 K HA -0.086 4.234 4.320 0.001 0.000 0.207 542 K C 2.459 178.960 176.600 -0.165 0.000 1.049 542 K CA 1.224 57.399 56.287 -0.186 0.000 0.933 542 K CB -0.219 32.176 32.500 -0.174 0.000 0.714 542 K HN 0.406 nan 8.250 nan 0.000 0.438 543 Q N 0.690 120.402 119.800 -0.146 0.000 2.170 543 Q HA -0.153 4.188 4.340 0.001 0.000 0.203 543 Q C 2.210 178.118 176.000 -0.152 0.000 0.976 543 Q CA 0.750 56.478 55.803 -0.124 0.000 0.858 543 Q CB -0.602 28.080 28.738 -0.093 0.000 0.907 543 Q HN 0.210 nan 8.270 nan 0.000 0.433 544 L N 0.679 121.770 121.223 -0.220 0.000 1.989 544 L HA -0.182 4.159 4.340 0.001 0.000 0.211 544 L C 2.226 178.978 176.870 -0.196 0.000 1.071 544 L CA 1.290 55.968 54.840 -0.271 0.000 0.749 544 L CB -0.809 40.958 42.059 -0.487 0.000 0.890 544 L HN 0.215 nan 8.230 nan 0.000 0.431 545 L N -0.305 120.807 121.223 -0.186 0.000 1.990 545 L HA -0.267 4.073 4.340 0.001 0.000 0.213 545 L C 2.039 178.846 176.870 -0.105 0.000 1.072 545 L CA 2.164 56.923 54.840 -0.135 0.000 0.755 545 L CB -1.079 40.898 42.059 -0.137 0.000 0.889 545 L HN 0.361 nan 8.230 nan 0.000 0.432 546 D N -0.683 119.654 120.400 -0.105 0.000 2.218 546 D HA -0.162 4.478 4.640 0.001 0.000 0.204 546 D C 2.097 178.355 176.300 -0.070 0.000 0.976 546 D CA 0.858 54.809 54.000 -0.081 0.000 0.853 546 D CB -0.035 40.715 40.800 -0.082 0.000 0.939 546 D HN 0.485 nan 8.370 nan 0.000 0.481 547 E N 0.098 120.249 120.200 -0.081 0.000 2.033 547 E HA -0.069 4.282 4.350 0.001 0.000 0.189 547 E C 2.180 178.750 176.600 -0.050 0.000 0.979 547 E CA 0.932 57.293 56.400 -0.066 0.000 0.802 547 E CB 0.378 30.030 29.700 -0.080 0.000 0.763 547 E HN 0.325 nan 8.360 nan 0.000 0.449 548 V N -4.174 115.707 119.914 -0.056 0.000 3.612 548 V HA 0.484 4.604 4.120 0.001 0.000 0.268 548 V C 0.864 176.941 176.094 -0.028 0.000 1.365 548 V CA 0.538 62.819 62.300 -0.031 0.000 1.044 548 V CB 0.357 32.170 31.823 -0.017 0.000 0.820 548 V HN 0.237 nan 8.190 nan 0.000 0.444 549 G N 1.340 110.111 108.800 -0.048 0.000 2.712 549 G HA2 -0.090 3.870 3.960 0.001 0.000 0.683 549 G HA3 -0.090 3.870 3.960 0.001 0.000 0.683 549 G C -1.510 173.343 174.900 -0.078 0.000 1.320 549 G CA -0.139 44.928 45.100 -0.055 0.000 0.847 549 G HN 0.277 nan 8.290 nan 0.000 0.553 550 P HA -0.123 nan 4.420 nan 0.000 0.215 550 P C 1.717 178.872 177.300 -0.243 0.000 1.153 550 P CA 1.731 64.649 63.100 -0.303 0.000 0.853 550 P CB -0.021 31.301 31.700 -0.630 0.000 0.788 551 K N 0.046 120.385 120.400 -0.102 0.000 2.020 551 K HA -0.106 4.214 4.320 0.001 0.000 0.212 551 K C 2.499 179.149 176.600 0.084 0.000 1.050 551 K CA 1.956 58.295 56.287 0.086 0.000 0.929 551 K CB -1.813 30.750 32.500 0.104 0.000 0.714 551 K HN 0.245 nan 8.250 nan 0.000 0.443 552 G N 1.188 110.019 108.800 0.052 0.000 2.418 552 G HA2 -0.202 3.758 3.960 0.001 0.000 0.217 552 G HA3 -0.202 3.758 3.960 0.001 0.000 0.217 552 G C 1.766 176.741 174.900 0.124 0.000 1.158 552 G CA 0.958 46.103 45.100 0.075 0.000 0.771 552 G HN 0.140 nan 8.290 nan 0.000 0.545 553 V N 1.632 121.600 119.914 0.089 0.000 2.332 553 V HA -0.187 3.933 4.120 0.001 0.000 0.248 553 V C 3.325 179.602 176.094 0.306 0.000 1.055 553 V CA 2.069 64.468 62.300 0.165 0.000 1.038 553 V CB -0.890 30.988 31.823 0.091 0.000 0.651 553 V HN 0.491 nan 8.190 nan 0.000 0.450 554 A N -0.517 122.434 122.820 0.219 0.000 1.902 554 A HA -0.193 4.128 4.320 0.001 0.000 0.217 554 A C 2.213 179.899 177.584 0.170 0.000 1.181 554 A CA 1.603 53.763 52.037 0.204 0.000 0.623 554 A CB -0.388 18.733 19.000 0.203 0.000 0.818 554 A HN 0.528 nan 8.150 nan 0.000 0.443 555 E N -1.206 119.095 120.200 0.168 0.000 2.077 555 E HA -0.221 4.129 4.350 0.001 0.000 0.193 555 E C 1.746 178.436 176.600 0.150 0.000 0.989 555 E CA 1.282 57.761 56.400 0.131 0.000 0.800 555 E CB -0.468 29.304 29.700 0.120 0.000 0.746 555 E HN 0.912 nan 8.360 nan 0.000 0.452 556 W N 1.560 122.876 121.300 0.027 0.000 2.363 556 W HA -0.181 4.480 4.660 0.001 0.000 0.296 556 W C 1.964 178.489 176.519 0.011 0.000 1.212 556 W CA 1.194 58.552 57.345 0.022 0.000 1.260 556 W CB -0.142 29.339 29.460 0.035 0.000 1.131 556 W HN -0.193 nan 8.180 nan 0.000 0.530 557 V N 1.368 121.333 119.914 0.086 0.000 2.490 557 V HA -0.297 3.824 4.120 0.001 0.000 0.250 557 V C 2.352 178.281 176.094 -0.274 0.000 1.061 557 V CA 2.225 64.410 62.300 -0.192 0.000 1.064 557 V CB -0.803 31.006 31.823 -0.022 0.000 0.670 557 V HN 0.159 nan 8.190 nan 0.000 0.461 558 K N -0.061 120.246 120.400 -0.154 0.000 2.057 558 K HA -0.176 4.144 4.320 0.001 0.000 0.206 558 K C 2.246 178.739 176.600 -0.179 0.000 1.050 558 K CA 1.326 57.530 56.287 -0.138 0.000 0.935 558 K CB -0.143 32.318 32.500 -0.065 0.000 0.715 558 K HN 0.310 nan 8.250 nan 0.000 0.439 559 K N 0.743 121.020 120.400 -0.206 0.000 2.209 559 K HA -0.073 4.247 4.320 0.001 0.000 0.204 559 K C 0.354 176.785 176.600 -0.282 0.000 1.048 559 K CA 0.829 56.990 56.287 -0.210 0.000 0.940 559 K CB 0.091 32.479 32.500 -0.188 0.000 0.729 559 K HN 0.061 nan 8.250 nan 0.000 0.451 560 Q N 1.036 120.576 119.800 -0.434 0.000 2.262 560 Q HA -0.059 4.282 4.340 0.001 0.000 0.272 560 Q C 0.154 175.978 176.000 -0.293 0.000 1.076 560 Q CA 0.550 56.086 55.803 -0.445 0.000 0.905 560 Q CB 1.267 29.605 28.738 -0.667 0.000 1.182 560 Q HN 0.151 nan 8.270 nan 0.000 0.390 561 D N 1.692 121.955 120.400 -0.229 0.000 2.183 561 D HA -0.087 4.554 4.640 0.001 0.000 0.205 561 D C -0.343 175.837 176.300 -0.199 0.000 0.962 561 D CA 0.471 54.363 54.000 -0.179 0.000 0.849 561 D CB 0.501 41.220 40.800 -0.134 0.000 0.978 561 D HN 0.424 nan 8.370 nan 0.000 0.488 562 D N -0.157 120.098 120.400 -0.242 0.000 2.370 562 D HA -0.021 4.619 4.640 0.001 0.000 0.235 562 D C -0.175 175.984 176.300 -0.236 0.000 1.228 562 D CA 0.074 53.897 54.000 -0.294 0.000 0.884 562 D CB 0.867 41.475 40.800 -0.319 0.000 1.201 562 D HN -0.154 nan 8.370 nan 0.000 0.456 563 V N 2.023 121.809 119.914 -0.214 0.000 2.530 563 V HA 0.171 4.292 4.120 0.001 0.000 0.282 563 V C 0.532 176.540 176.094 -0.142 0.000 1.048 563 V CA -0.508 61.687 62.300 -0.176 0.000 0.997 563 V CB 0.609 32.343 31.823 -0.149 0.000 0.987 563 V HN 0.232 nan 8.190 nan 0.000 0.477 564 L N 5.624 126.753 121.223 -0.157 0.000 2.325 564 L HA 0.603 4.943 4.340 0.001 0.000 0.279 564 L C -0.286 176.532 176.870 -0.087 0.000 1.054 564 L CA -0.352 54.436 54.840 -0.086 0.000 0.804 564 L CB 1.462 43.468 42.059 -0.087 0.000 1.200 564 L HN 0.524 nan 8.230 nan 0.000 0.436 565 L N 1.807 123.040 121.223 0.016 0.000 2.334 565 L HA 0.581 4.921 4.340 0.001 0.000 0.276 565 L C -0.646 176.253 176.870 0.048 0.000 1.014 565 L CA -0.023 54.828 54.840 0.019 0.000 0.815 565 L CB 2.053 44.164 42.059 0.085 0.000 1.268 565 L HN 0.507 nan 8.230 nan 0.000 0.428 566 T N 2.907 117.478 114.554 0.029 0.000 2.833 566 T HA 0.210 4.561 4.350 0.001 0.000 0.297 566 T C -0.933 173.706 174.700 -0.102 0.000 1.015 566 T CA -0.279 61.848 62.100 0.044 0.000 0.963 566 T CB 0.932 69.975 68.868 0.292 0.000 0.955 566 T HN 0.690 nan 8.240 nan 0.000 0.449 567 D N 1.933 122.120 120.400 -0.355 0.000 2.345 567 D HA 0.281 4.921 4.640 0.001 0.000 0.247 567 D C 1.086 177.181 176.300 -0.342 0.000 1.108 567 D CA -0.101 53.600 54.000 -0.499 0.000 0.894 567 D CB 0.879 40.996 40.800 -1.139 0.000 1.203 567 D HN 0.515 nan 8.370 nan 0.000 0.430 568 T N -1.142 113.256 114.554 -0.260 0.000 3.200 568 T HA 0.105 4.455 4.350 0.001 0.000 0.284 568 T C 1.360 175.941 174.700 -0.198 0.000 1.009 568 T CA -0.412 61.580 62.100 -0.179 0.000 0.907 568 T CB 0.175 68.986 68.868 -0.095 0.000 1.120 568 T HN 0.290 nan 8.240 nan 0.000 0.534 569 T N 1.896 116.259 114.554 -0.319 0.000 2.759 569 T HA -0.002 4.348 4.350 0.001 0.000 0.269 569 T C 0.931 175.537 174.700 -0.156 0.000 1.042 569 T CA 1.137 63.010 62.100 -0.379 0.000 1.140 569 T CB -0.414 68.102 68.868 -0.586 0.000 0.864 569 T HN 0.360 nan 8.240 nan 0.000 0.455 570 F N 0.640 120.492 119.950 -0.162 0.000 2.661 570 F HA 0.307 4.834 4.527 0.001 0.000 0.298 570 F C 2.244 178.120 175.800 0.127 0.000 1.137 570 F CA -0.037 57.941 58.000 -0.037 0.000 1.454 570 F CB -0.362 38.607 39.000 -0.051 0.000 1.103 570 F HN 0.014 nan 8.300 nan 0.000 0.577 571 R N -0.194 120.418 120.500 0.187 0.000 4.019 571 R HA 0.062 4.402 4.340 0.001 0.000 0.140 571 R C 1.304 177.442 176.300 -0.270 0.000 1.486 571 R CA 0.674 56.773 56.100 -0.001 0.000 1.119 571 R CB -0.785 29.521 30.300 0.011 0.000 1.357 571 R HN 0.006 nan 8.270 nan 0.000 0.449 572 D N 0.995 121.309 120.400 -0.142 0.000 2.234 572 D HA 0.121 4.761 4.640 0.001 0.000 0.205 572 D C 1.502 177.720 176.300 -0.137 0.000 0.962 572 D CA 1.096 55.023 54.000 -0.122 0.000 0.855 572 D CB 0.281 41.074 40.800 -0.011 0.000 0.951 572 D HN 0.374 nan 8.370 nan 0.000 0.500 573 A N 0.438 123.174 122.820 -0.141 0.000 1.877 573 A HA -0.201 4.119 4.320 0.001 0.000 0.216 573 A C 2.095 179.624 177.584 -0.091 0.000 1.186 573 A CA 1.827 53.790 52.037 -0.125 0.000 0.620 573 A CB -1.063 17.843 19.000 -0.157 0.000 0.822 573 A HN 0.599 nan 8.150 nan 0.000 0.443 574 H N -1.273 117.711 119.070 -0.142 0.000 2.512 574 H HA 0.025 4.582 4.556 0.001 0.000 0.279 574 H C 1.851 177.127 175.328 -0.087 0.000 0.999 574 H CA 1.179 57.142 56.048 -0.140 0.000 1.283 574 H CB -0.454 29.181 29.762 -0.212 0.000 1.421 574 H HN 0.643 nan 8.280 nan 0.000 0.554 575 Q N 1.257 120.767 119.800 -0.484 0.000 2.170 575 Q HA -0.090 4.250 4.340 0.001 0.000 0.203 575 Q C 1.822 177.783 176.000 -0.066 0.000 0.976 575 Q CA 1.626 57.275 55.803 -0.257 0.000 0.858 575 Q CB 0.276 28.880 28.738 -0.223 0.000 0.907 575 Q HN 0.414 nan 8.270 nan 0.000 0.433 576 S N -0.030 115.654 115.700 -0.027 0.000 2.395 576 S HA 0.027 4.498 4.470 0.001 0.000 0.225 576 S C 1.737 176.368 174.600 0.052 0.000 1.027 576 S CA 0.614 58.848 58.200 0.057 0.000 0.965 576 S CB 0.111 63.368 63.200 0.096 0.000 0.812 576 S HN 0.331 nan 8.310 nan 0.000 0.482 577 L N -0.032 121.207 121.223 0.026 0.000 2.316 577 L HA 0.309 4.650 4.340 0.001 0.000 0.207 577 L C 0.659 177.573 176.870 0.074 0.000 1.070 577 L CA 0.714 55.581 54.840 0.045 0.000 0.820 577 L CB 0.027 42.103 42.059 0.029 0.000 0.992 577 L HN 0.181 nan 8.230 nan 0.000 0.466 578 L N 0.058 121.317 121.223 0.060 0.000 3.218 578 L HA 0.421 4.762 4.340 0.001 0.000 0.279 578 L C 0.790 177.666 176.870 0.011 0.000 1.287 578 L CA -0.350 54.543 54.840 0.088 0.000 1.024 578 L CB 0.558 42.630 42.059 0.021 0.000 1.409 578 L HN 0.141 nan 8.230 nan 0.000 0.580 579 A N -0.169 122.659 122.820 0.013 0.000 2.715 579 A HA -0.298 4.022 4.320 0.001 0.000 0.301 579 A C 1.234 178.755 177.584 -0.105 0.000 1.515 579 A CA 1.071 53.080 52.037 -0.048 0.000 0.816 579 A CB -2.009 16.966 19.000 -0.041 0.000 1.004 579 A HN 0.748 nan 8.150 nan 0.000 0.483 580 T N -2.669 111.856 114.554 -0.049 0.000 6.387 580 T HA -0.270 4.080 4.350 0.001 0.000 0.290 580 T C 0.784 175.563 174.700 0.132 0.000 1.901 580 T CA 1.614 63.732 62.100 0.030 0.000 3.035 580 T CB -1.149 67.701 68.868 -0.031 0.000 1.917 580 T HN 0.934 nan 8.240 nan 0.000 1.121 581 R N 0.391 120.831 120.500 -0.101 0.000 2.313 581 R HA 0.253 4.594 4.340 0.001 0.000 0.199 581 R C 0.833 177.018 176.300 -0.192 0.000 0.958 581 R CA 0.009 55.990 56.100 -0.199 0.000 1.047 581 R CB -0.266 29.656 30.300 -0.630 0.000 0.955 581 R HN 0.478 nan 8.270 nan 0.000 0.481 582 V N 3.566 123.187 119.914 -0.490 0.000 2.493 582 V HA -0.056 4.064 4.120 0.001 0.000 0.292 582 V C 1.021 176.965 176.094 -0.251 0.000 1.016 582 V CA 0.421 62.334 62.300 -0.644 0.000 1.097 582 V CB -0.024 31.228 31.823 -0.952 0.000 0.947 582 V HN 0.152 nan 8.190 nan 0.000 0.479 583 R N 3.184 123.690 120.500 0.010 0.000 2.577 583 R HA 0.285 4.625 4.340 0.001 0.000 0.269 583 R C 1.442 177.689 176.300 -0.088 0.000 1.084 583 R CA -0.374 55.680 56.100 -0.077 0.000 1.163 583 R CB 0.244 30.442 30.300 -0.169 0.000 1.100 583 R HN 0.691 nan 8.270 nan 0.000 0.547 584 T N 1.288 115.762 114.554 -0.134 0.000 2.635 584 T HA -0.234 4.116 4.350 0.001 0.000 0.267 584 T C 1.696 176.335 174.700 -0.101 0.000 1.040 584 T CA 1.871 63.895 62.100 -0.125 0.000 1.156 584 T CB -0.190 68.605 68.868 -0.121 0.000 0.863 584 T HN 0.514 nan 8.240 nan 0.000 0.430 585 K N 1.428 121.767 120.400 -0.102 0.000 2.077 585 K HA -0.217 4.103 4.320 0.001 0.000 0.213 585 K C 1.780 178.368 176.600 -0.019 0.000 1.051 585 K CA 2.040 58.285 56.287 -0.070 0.000 0.929 585 K CB -0.503 31.941 32.500 -0.094 0.000 0.715 585 K HN 0.263 nan 8.250 nan 0.000 0.451 586 D N -0.514 119.904 120.400 0.030 0.000 2.224 586 D HA -0.085 4.555 4.640 0.001 0.000 0.205 586 D C 1.877 178.221 176.300 0.074 0.000 0.965 586 D CA 1.263 55.317 54.000 0.091 0.000 0.852 586 D CB -0.020 40.891 40.800 0.186 0.000 0.947 586 D HN 0.411 nan 8.370 nan 0.000 0.494 587 M N -0.187 119.424 119.600 0.019 0.000 2.193 587 M HA -0.037 4.443 4.480 0.001 0.000 0.265 587 M C 2.049 178.244 176.300 -0.176 0.000 1.071 587 M CA 0.586 55.788 55.300 -0.164 0.000 1.140 587 M CB 0.150 32.395 32.600 -0.591 0.000 1.369 587 M HN -0.082 nan 8.290 nan 0.000 0.423 588 I N 1.415 121.906 120.570 -0.132 0.000 2.454 588 I HA -0.235 3.936 4.170 0.001 0.000 0.254 588 I C 1.565 177.650 176.117 -0.054 0.000 1.156 588 I CA 1.551 62.801 61.300 -0.083 0.000 1.433 588 I CB -1.057 36.903 38.000 -0.067 0.000 1.082 588 I HN 0.418 nan 8.210 nan 0.000 0.432 589 N N 0.668 119.335 118.700 -0.055 0.000 2.188 589 N HA -0.146 4.594 4.740 0.001 0.000 0.184 589 N C 1.122 176.524 175.510 -0.180 0.000 1.018 589 N CA 1.069 54.074 53.050 -0.075 0.000 0.858 589 N CB 0.074 38.557 38.487 -0.006 0.000 0.989 589 N HN 0.307 nan 8.380 nan 0.000 0.426 590 I N -2.215 118.194 120.570 -0.269 0.000 3.889 590 I HA 0.423 4.594 4.170 0.001 0.000 0.332 590 I C 1.290 177.418 176.117 0.018 0.000 1.493 590 I CA -0.433 60.685 61.300 -0.302 0.000 1.158 590 I CB 0.053 37.645 38.000 -0.680 0.000 1.117 590 I HN -0.146 nan 8.210 nan 0.000 0.411 591 A N 1.382 124.245 122.820 0.071 0.000 1.930 591 A HA -0.148 4.173 4.320 0.001 0.000 0.217 591 A C 2.511 180.190 177.584 0.157 0.000 1.175 591 A CA 1.993 54.141 52.037 0.184 0.000 0.627 591 A CB -0.844 18.227 19.000 0.118 0.000 0.815 591 A HN 0.610 nan 8.150 nan 0.000 0.443 592 S N -0.050 115.698 115.700 0.080 0.000 2.355 592 S HA -0.188 4.283 4.470 0.001 0.000 0.222 592 S C 1.960 176.612 174.600 0.087 0.000 1.031 592 S CA 1.692 59.940 58.200 0.080 0.000 0.993 592 S CB -0.316 62.907 63.200 0.038 0.000 0.859 592 S HN 0.403 nan 8.310 nan 0.000 0.453 593 K N 1.431 121.854 120.400 0.038 0.000 2.026 593 K HA -0.009 4.312 4.320 0.001 0.000 0.208 593 K C 2.184 178.810 176.600 0.045 0.000 1.048 593 K CA 2.183 58.480 56.287 0.017 0.000 0.929 593 K CB -1.338 31.131 32.500 -0.051 0.000 0.713 593 K HN 0.460 nan 8.250 nan 0.000 0.439 594 T N 0.530 115.155 114.554 0.118 0.000 2.720 594 T HA -0.174 4.177 4.350 0.001 0.000 0.268 594 T C 1.793 176.626 174.700 0.222 0.000 1.037 594 T CA 1.571 63.802 62.100 0.217 0.000 1.144 594 T CB -0.600 68.484 68.868 0.361 0.000 0.864 594 T HN 0.403 nan 8.240 nan 0.000 0.444 595 A N 1.371 124.318 122.820 0.211 0.000 1.948 595 A HA -0.204 4.116 4.320 0.001 0.000 0.220 595 A C 2.113 179.774 177.584 0.129 0.000 1.177 595 A CA 2.241 54.403 52.037 0.208 0.000 0.636 595 A CB -0.697 18.440 19.000 0.229 0.000 0.815 595 A HN 0.543 nan 8.150 nan 0.000 0.449 596 D N -0.876 119.583 120.400 0.098 0.000 2.144 596 D HA -0.071 4.569 4.640 0.001 0.000 0.207 596 D C 1.859 178.064 176.300 -0.158 0.000 0.970 596 D CA 1.388 55.379 54.000 -0.015 0.000 0.853 596 D CB -0.195 40.666 40.800 0.102 0.000 1.007 596 D HN 0.106 nan 8.370 nan 0.000 0.469 597 V N -0.029 119.776 119.914 -0.182 0.000 2.332 597 V HA -0.210 3.910 4.120 0.001 0.000 0.248 597 V C 1.684 177.506 176.094 -0.454 0.000 1.055 597 V CA 1.471 63.538 62.300 -0.388 0.000 1.038 597 V CB -0.634 30.840 31.823 -0.581 0.000 0.651 597 V HN 0.224 nan 8.190 nan 0.000 0.450 598 F N 0.611 120.522 119.950 -0.066 0.000 2.660 598 F HA 0.153 4.681 4.527 0.001 0.000 0.297 598 F C 1.976 177.729 175.800 -0.079 0.000 1.132 598 F CA -0.215 57.748 58.000 -0.061 0.000 1.372 598 F CB -0.288 38.679 39.000 -0.054 0.000 1.003 598 F HN 0.166 nan 8.300 nan 0.000 0.524 599 K N -0.476 119.895 120.400 -0.049 0.000 2.286 599 K HA -0.193 4.127 4.320 0.001 0.000 0.203 599 K C 0.351 176.906 176.600 -0.075 0.000 1.045 599 K CA 1.849 58.034 56.287 -0.170 0.000 0.935 599 K CB -0.112 32.074 32.500 -0.524 0.000 0.737 599 K HN 0.215 nan 8.250 nan 0.000 0.460 600 D N 0.745 121.148 120.400 0.005 0.000 2.441 600 D HA 0.090 4.730 4.640 0.001 0.000 0.210 600 D C 0.704 177.096 176.300 0.153 0.000 1.102 600 D CA 0.185 54.229 54.000 0.073 0.000 0.840 600 D CB 0.550 41.389 40.800 0.064 0.000 0.990 600 D HN 0.347 nan 8.370 nan 0.000 0.505 601 G N 0.449 109.354 108.800 0.176 0.000 2.664 601 G HA2 0.020 3.980 3.960 0.001 0.000 0.242 601 G HA3 0.020 3.980 3.960 0.001 0.000 0.242 601 G C 0.525 175.536 174.900 0.185 0.000 1.225 601 G CA -0.451 44.768 45.100 0.198 0.000 0.849 601 G HN 0.035 nan 8.290 nan 0.000 0.581 602 F N 0.937 120.923 119.950 0.059 0.000 2.098 602 F HA 0.164 4.692 4.527 0.001 0.000 0.294 602 F C 1.425 177.244 175.800 0.031 0.000 1.107 602 F CA 1.308 59.346 58.000 0.065 0.000 1.234 602 F CB 0.061 39.070 39.000 0.015 0.000 1.002 602 F HN 0.626 nan 8.300 nan 0.000 0.472 603 S N -0.710 114.913 115.700 -0.128 0.000 2.615 603 S HA 0.577 5.048 4.470 0.001 0.000 0.269 603 S C -1.383 173.138 174.600 -0.131 0.000 1.161 603 S CA -1.051 57.023 58.200 -0.211 0.000 0.817 603 S CB 1.544 64.582 63.200 -0.269 0.000 1.131 603 S HN 0.116 nan 8.310 nan 0.000 0.467 604 L N 1.368 122.501 121.223 -0.150 0.000 2.305 604 L HA 0.540 4.880 4.340 0.001 0.000 0.284 604 L C 0.138 176.884 176.870 -0.207 0.000 1.013 604 L CA -0.457 54.219 54.840 -0.272 0.000 0.819 604 L CB 1.589 43.432 42.059 -0.360 0.000 1.227 604 L HN 0.819 nan 8.230 nan 0.000 0.417 605 E N 4.687 124.795 120.200 -0.154 0.000 2.070 605 E HA 0.168 4.519 4.350 0.001 0.000 0.282 605 E C -0.103 176.466 176.600 -0.053 0.000 1.104 605 E CA -0.356 55.999 56.400 -0.075 0.000 0.876 605 E CB 0.654 30.331 29.700 -0.038 0.000 1.055 605 E HN 0.586 nan 8.360 nan 0.000 0.401 606 M N 2.774 122.357 119.600 -0.027 0.000 2.511 606 M HA 0.436 4.917 4.480 0.001 0.000 0.387 606 M C -1.112 175.324 176.300 0.226 0.000 1.112 606 M CA -0.552 54.794 55.300 0.076 0.000 0.921 606 M CB 0.274 32.850 32.600 -0.041 0.000 1.501 606 M HN 0.285 nan 8.290 nan 0.000 0.538 607 W N -0.449 120.816 121.300 -0.058 0.000 2.895 607 W HA 0.651 5.311 4.660 0.001 0.000 0.377 607 W C 0.372 176.896 176.519 0.008 0.000 1.191 607 W CA 0.018 57.343 57.345 -0.033 0.000 1.179 607 W CB 0.668 30.094 29.460 -0.056 0.000 1.469 607 W HN 0.671 nan 8.180 nan 0.000 0.577 608 G N 1.069 109.771 108.800 -0.162 0.000 2.698 608 G HA2 0.384 4.344 3.960 0.001 0.000 0.233 608 G HA3 0.384 4.344 3.960 0.001 0.000 0.233 608 G C 0.677 175.531 174.900 -0.078 0.000 1.352 608 G CA 1.151 46.188 45.100 -0.104 0.000 0.879 608 G HN 2.338 nan 8.290 nan 0.000 0.567 609 G N -1.342 107.460 108.800 0.005 0.000 2.556 609 G HA2 0.170 4.130 3.960 0.001 0.000 0.283 609 G HA3 0.170 4.130 3.960 0.001 0.000 0.283 609 G C 1.541 176.448 174.900 0.012 0.000 1.177 609 G CA 2.504 47.624 45.100 0.033 0.000 0.978 609 G HN 2.573 nan 8.290 nan 0.000 0.554 610 A N -0.648 122.183 122.820 0.019 0.000 2.218 610 A HA 0.399 4.719 4.320 0.001 0.000 0.209 610 A C 2.479 180.068 177.584 0.010 0.000 1.168 610 A CA 2.335 54.407 52.037 0.058 0.000 0.804 610 A CB -0.701 18.352 19.000 0.089 0.000 0.834 610 A HN 2.072 nan 8.150 nan 0.000 0.482 611 T N -3.304 111.213 114.554 -0.062 0.000 2.833 611 T HA -0.150 4.200 4.350 0.001 0.000 0.269 611 T C 1.639 176.220 174.700 -0.199 0.000 1.054 611 T CA 1.385 63.426 62.100 -0.100 0.000 1.135 611 T CB -0.550 68.254 68.868 -0.108 0.000 0.869 611 T HN 0.284 nan 8.240 nan 0.000 0.466 612 F N 2.481 122.186 119.950 -0.408 0.000 2.084 612 F HA -0.033 4.495 4.527 0.001 0.000 0.296 612 F C 2.318 177.894 175.800 -0.372 0.000 1.111 612 F CA 1.783 59.492 58.000 -0.485 0.000 1.224 612 F CB -0.344 38.358 39.000 -0.497 0.000 0.991 612 F HN 0.094 nan 8.300 nan 0.000 0.471 613 D N 0.027 120.340 120.400 -0.145 0.000 2.087 613 D HA -0.174 4.466 4.640 0.001 0.000 0.192 613 D C 2.316 178.577 176.300 -0.065 0.000 0.993 613 D CA 1.863 55.699 54.000 -0.273 0.000 0.828 613 D CB -0.427 40.373 40.800 -0.001 0.000 0.968 613 D HN 0.177 nan 8.370 nan 0.000 0.448 614 V N 1.332 121.282 119.914 0.060 0.000 2.343 614 V HA -0.232 3.889 4.120 0.001 0.000 0.247 614 V C 2.669 178.829 176.094 0.111 0.000 1.051 614 V CA 1.864 64.288 62.300 0.208 0.000 1.036 614 V CB -0.925 31.006 31.823 0.181 0.000 0.654 614 V HN 0.305 nan 8.190 nan 0.000 0.451 615 A N -1.082 121.689 122.820 -0.082 0.000 1.845 615 A HA -0.243 4.077 4.320 0.001 0.000 0.215 615 A C 2.117 179.598 177.584 -0.172 0.000 1.195 615 A CA 2.032 53.962 52.037 -0.179 0.000 0.616 615 A CB -0.927 17.848 19.000 -0.375 0.000 0.832 615 A HN 0.565 nan 8.150 nan 0.000 0.443 616 Y N -0.348 119.778 120.300 -0.290 0.000 2.181 616 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 616 Y C 2.648 178.498 175.900 -0.083 0.000 1.146 616 Y CA 1.720 59.643 58.100 -0.295 0.000 1.164 616 Y CB -0.177 38.076 38.460 -0.346 0.000 0.982 616 Y HN 0.525 nan 8.280 nan 0.000 0.515 617 N N -0.911 117.823 118.700 0.057 0.000 2.178 617 N HA -0.120 4.620 4.740 0.001 0.000 0.189 617 N C 1.367 176.805 175.510 -0.120 0.000 1.048 617 N CA 0.961 53.949 53.050 -0.103 0.000 0.855 617 N CB -0.180 38.132 38.487 -0.291 0.000 1.028 617 N HN 0.083 nan 8.380 nan 0.000 0.441 618 F N 0.572 120.633 119.950 0.185 0.000 2.317 618 F HA 0.210 4.737 4.527 0.001 0.000 0.293 618 F C 1.720 177.763 175.800 0.405 0.000 1.085 618 F CA 0.306 58.465 58.000 0.264 0.000 1.390 618 F CB 0.147 39.296 39.000 0.249 0.000 1.077 618 F HN 0.027 nan 8.300 nan 0.000 0.517 619 L N -0.394 121.111 121.223 0.470 0.000 2.529 619 L HA 0.076 4.417 4.340 0.001 0.000 0.223 619 L C 0.393 177.454 176.870 0.318 0.000 1.113 619 L CA 0.093 55.162 54.840 0.382 0.000 0.861 619 L CB -0.321 41.786 42.059 0.081 0.000 1.012 619 L HN -0.045 nan 8.230 nan 0.000 0.461 620 K N 1.844 122.435 120.400 0.319 0.000 3.156 620 K HA -0.194 4.127 4.320 0.001 0.000 0.266 620 K C -0.089 176.703 176.600 0.319 0.000 0.966 620 K CA 0.909 57.425 56.287 0.383 0.000 0.719 620 K CB -1.779 30.962 32.500 0.403 0.000 1.333 620 K HN 0.743 nan 8.250 nan 0.000 0.468 621 E N -0.845 119.402 120.200 0.079 0.000 2.317 621 E HA 0.322 4.673 4.350 0.001 0.000 0.270 621 E C -0.668 175.704 176.600 -0.381 0.000 0.885 621 E CA -1.013 55.362 56.400 -0.042 0.000 0.760 621 E CB 1.506 31.130 29.700 -0.126 0.000 1.227 621 E HN 0.205 nan 8.360 nan 0.000 0.434 622 N N 3.270 121.752 118.700 -0.363 0.000 2.420 622 N HA 0.063 4.804 4.740 0.001 0.000 0.262 622 N C -1.474 173.772 175.510 -0.440 0.000 1.144 622 N CA -1.790 50.898 53.050 -0.602 0.000 0.952 622 N CB 0.854 39.269 38.487 -0.120 0.000 1.081 622 N HN 0.368 nan 8.380 nan 0.000 0.480 623 P HA -0.131 nan 4.420 nan 0.000 0.220 623 P C 0.621 177.972 177.300 0.087 0.000 1.148 623 P CA 1.135 64.034 63.100 -0.336 0.000 0.803 623 P CB -0.022 31.199 31.700 -0.798 0.000 0.782 624 W N 1.310 122.685 121.300 0.124 0.000 2.363 624 W HA -0.081 4.580 4.660 0.001 0.000 0.296 624 W C 2.455 178.972 176.519 -0.002 0.000 1.212 624 W CA 0.877 58.310 57.345 0.146 0.000 1.260 624 W CB -0.889 28.673 29.460 0.169 0.000 1.131 624 W HN 0.066 nan 8.180 nan 0.000 0.530 625 E N 0.022 120.336 120.200 0.190 0.000 2.152 625 E HA -0.187 4.163 4.350 0.001 0.000 0.192 625 E C 2.137 178.751 176.600 0.024 0.000 0.983 625 E CA 0.811 57.265 56.400 0.090 0.000 0.818 625 E CB -0.328 29.413 29.700 0.069 0.000 0.758 625 E HN 0.271 nan 8.360 nan 0.000 0.467 626 R N 0.988 121.490 120.500 0.004 0.000 2.081 626 R HA -0.181 4.159 4.340 0.001 0.000 0.235 626 R C 2.399 178.666 176.300 -0.054 0.000 1.131 626 R CA 1.051 57.138 56.100 -0.022 0.000 0.960 626 R CB -0.214 30.093 30.300 0.012 0.000 0.856 626 R HN 0.139 nan 8.270 nan 0.000 0.436 627 L N 1.494 122.633 121.223 -0.140 0.000 1.976 627 L HA -0.131 4.210 4.340 0.001 0.000 0.209 627 L C 1.762 178.581 176.870 -0.085 0.000 1.071 627 L CA 1.968 56.623 54.840 -0.309 0.000 0.746 627 L CB -0.674 40.894 42.059 -0.818 0.000 0.890 627 L HN 0.208 nan 8.230 nan 0.000 0.432 628 E N -0.815 119.354 120.200 -0.052 0.000 2.077 628 E HA -0.205 4.146 4.350 0.001 0.000 0.193 628 E C 2.290 178.889 176.600 -0.002 0.000 0.989 628 E CA 1.224 57.612 56.400 -0.020 0.000 0.800 628 E CB -0.128 29.578 29.700 0.010 0.000 0.746 628 E HN 0.433 nan 8.360 nan 0.000 0.452 629 R N 0.383 120.887 120.500 0.006 0.000 2.073 629 R HA -0.109 4.232 4.340 0.001 0.000 0.234 629 R C 2.517 178.841 176.300 0.040 0.000 1.134 629 R CA 0.993 57.099 56.100 0.010 0.000 0.952 629 R CB -0.458 29.838 30.300 -0.005 0.000 0.850 629 R HN 0.213 nan 8.270 nan 0.000 0.433 630 L N 0.331 121.596 121.223 0.070 0.000 2.083 630 L HA -0.179 4.162 4.340 0.001 0.000 0.209 630 L C 2.744 179.829 176.870 0.359 0.000 1.083 630 L CA 0.918 55.865 54.840 0.180 0.000 0.752 630 L CB -0.393 41.729 42.059 0.104 0.000 0.899 630 L HN 0.075 nan 8.230 nan 0.000 0.433 631 R N 1.067 121.722 120.500 0.258 0.000 2.097 631 R HA -0.232 4.108 4.340 0.001 0.000 0.236 631 R C 2.185 178.424 176.300 -0.102 0.000 1.135 631 R CA 1.882 57.905 56.100 -0.128 0.000 0.934 631 R CB -0.587 29.601 30.300 -0.186 0.000 0.846 631 R HN 0.227 nan 8.270 nan 0.000 0.431 632 K N -0.724 119.653 120.400 -0.038 0.000 2.097 632 K HA -0.053 4.268 4.320 0.001 0.000 0.206 632 K C 1.821 178.423 176.600 0.004 0.000 1.049 632 K CA 1.454 57.722 56.287 -0.032 0.000 0.933 632 K CB -0.189 32.298 32.500 -0.022 0.000 0.717 632 K HN 0.251 nan 8.250 nan 0.000 0.442 633 A N 0.532 123.380 122.820 0.048 0.000 1.969 633 A HA 0.020 4.340 4.320 0.001 0.000 0.218 633 A C 1.036 178.692 177.584 0.119 0.000 1.169 633 A CA 0.902 52.984 52.037 0.076 0.000 0.635 633 A CB -0.063 18.989 19.000 0.087 0.000 0.810 633 A HN 0.289 nan 8.150 nan 0.000 0.445 634 I N 0.222 120.890 120.570 0.163 0.000 2.668 634 I HA 0.211 4.382 4.170 0.001 0.000 0.276 634 I C -2.034 174.108 176.117 0.043 0.000 1.139 634 I CA -1.448 59.977 61.300 0.208 0.000 1.133 634 I CB 2.070 40.333 38.000 0.438 0.000 1.327 634 I HN 0.046 nan 8.210 nan 0.000 0.520 635 P HA -0.025 nan 4.420 nan 0.000 0.240 635 P C 0.733 177.996 177.300 -0.062 0.000 1.190 635 P CA 0.961 64.010 63.100 -0.085 0.000 0.781 635 P CB 0.137 31.805 31.700 -0.053 0.000 0.931 636 N N 0.339 119.055 118.700 0.027 0.000 2.336 636 N HA -0.010 4.731 4.740 0.001 0.000 0.177 636 N C 0.449 175.949 175.510 -0.017 0.000 1.018 636 N CA 0.603 53.671 53.050 0.029 0.000 0.878 636 N CB -0.922 37.635 38.487 0.116 0.000 0.997 636 N HN -0.029 nan 8.380 nan 0.000 0.433 637 V N 1.863 121.797 119.914 0.032 0.000 2.532 637 V HA 0.322 4.442 4.120 0.001 0.000 0.295 637 V C 0.688 176.800 176.094 0.029 0.000 1.041 637 V CA -1.024 61.292 62.300 0.027 0.000 0.926 637 V CB 1.855 33.736 31.823 0.097 0.000 0.992 637 V HN 0.090 nan 8.190 nan 0.000 0.457 638 L N 3.757 124.923 121.223 -0.096 0.000 2.514 638 L HA 0.164 4.505 4.340 0.001 0.000 0.280 638 L C -0.435 176.520 176.870 0.141 0.000 1.223 638 L CA 0.328 55.095 54.840 -0.122 0.000 0.864 638 L CB -0.039 41.800 42.059 -0.368 0.000 1.118 638 L HN 0.447 nan 8.230 nan 0.000 0.494 639 F N 2.009 121.844 119.950 -0.192 0.000 2.408 639 F HA 0.385 4.912 4.527 0.001 0.000 0.344 639 F C 0.395 176.085 175.800 -0.183 0.000 1.112 639 F CA -0.746 57.159 58.000 -0.158 0.000 1.096 639 F CB 1.327 40.234 39.000 -0.155 0.000 1.129 639 F HN 0.421 nan 8.300 nan 0.000 0.486 640 Q N 4.361 124.159 119.800 -0.004 0.000 2.337 640 Q HA 0.711 5.051 4.340 0.001 0.000 0.266 640 Q C -1.278 174.710 176.000 -0.019 0.000 1.023 640 Q CA -0.975 54.809 55.803 -0.032 0.000 0.829 640 Q CB 2.033 30.793 28.738 0.035 0.000 1.306 640 Q HN 0.700 nan 8.270 nan 0.000 0.449 641 M N 2.179 121.755 119.600 -0.040 0.000 2.518 641 M HA 0.475 4.955 4.480 0.001 0.000 0.300 641 M C -1.865 174.498 176.300 0.105 0.000 1.175 641 M CA -1.042 54.300 55.300 0.070 0.000 0.890 641 M CB 1.630 34.339 32.600 0.181 0.000 1.710 641 M HN 0.524 nan 8.290 nan 0.000 0.453 642 L N 3.284 124.580 121.223 0.120 0.000 2.281 642 L HA 0.685 5.025 4.340 0.001 0.000 0.285 642 L C -1.667 175.347 176.870 0.240 0.000 1.074 642 L CA -0.339 54.598 54.840 0.162 0.000 0.817 642 L CB 0.870 42.986 42.059 0.093 0.000 1.168 642 L HN 0.869 nan 8.230 nan 0.000 0.434 643 L N 5.584 126.988 121.223 0.302 0.000 2.341 643 L HA 0.532 4.872 4.340 0.001 0.000 0.278 643 L C -0.036 176.900 176.870 0.110 0.000 1.005 643 L CA -0.224 54.766 54.840 0.250 0.000 0.818 643 L CB 1.423 43.673 42.059 0.318 0.000 1.259 643 L HN 0.572 nan 8.230 nan 0.000 0.418 644 R N 5.052 125.511 120.500 -0.068 0.000 4.390 644 R HA 0.494 4.834 4.340 0.001 0.000 0.229 644 R C 1.058 177.160 176.300 -0.331 0.000 1.674 644 R CA 0.411 56.240 56.100 -0.452 0.000 1.526 644 R CB -0.301 29.810 30.300 -0.315 0.000 1.418 644 R HN 0.962 nan 8.270 nan 0.000 0.790 645 A N 0.805 123.480 122.820 -0.242 0.000 5.228 645 A HA -0.371 3.949 4.320 0.001 0.000 0.354 645 A C 1.549 179.086 177.584 -0.079 0.000 1.628 645 A CA 2.149 54.111 52.037 -0.126 0.000 0.701 645 A CB -1.474 17.437 19.000 -0.148 0.000 1.503 645 A HN 0.507 nan 8.150 nan 0.000 0.412 646 S N 0.884 116.539 115.700 -0.075 0.000 2.593 646 S HA 0.070 4.541 4.470 0.001 0.000 0.217 646 S C 1.015 175.630 174.600 0.025 0.000 0.966 646 S CA 0.912 59.094 58.200 -0.030 0.000 0.914 646 S CB -0.422 62.748 63.200 -0.050 0.000 0.776 646 S HN 0.682 nan 8.310 nan 0.000 0.523 647 N N 1.662 120.353 118.700 -0.015 0.000 2.336 647 N HA 0.442 5.182 4.740 0.001 0.000 0.189 647 N C 1.184 176.716 175.510 0.036 0.000 1.113 647 N CA 0.599 53.668 53.050 0.031 0.000 0.858 647 N CB -0.131 38.328 38.487 -0.046 0.000 0.970 647 N HN 0.244 nan 8.380 nan 0.000 0.471 648 A N 0.127 122.920 122.820 -0.045 0.000 5.023 648 A HA -0.323 3.998 4.320 0.001 0.000 0.346 648 A C 1.135 178.612 177.584 -0.179 0.000 1.724 648 A CA 2.284 54.244 52.037 -0.129 0.000 0.700 648 A CB -1.483 17.297 19.000 -0.366 0.000 1.464 648 A HN 0.335 nan 8.150 nan 0.000 0.404 649 V N -0.206 119.486 119.914 -0.370 0.000 3.329 649 V HA 0.555 4.675 4.120 0.001 0.000 0.317 649 V C 0.932 176.862 176.094 -0.274 0.000 1.495 649 V CA 1.228 63.327 62.300 -0.336 0.000 1.105 649 V CB -0.057 31.416 31.823 -0.584 0.000 0.985 649 V HN 1.584 nan 8.190 nan 0.000 0.475 650 G N -0.796 107.837 108.800 -0.279 0.000 2.890 650 G HA2 0.349 4.310 3.960 0.001 0.000 0.189 650 G HA3 0.349 4.310 3.960 0.001 0.000 0.189 650 G C -0.173 174.398 174.900 -0.547 0.000 1.342 650 G CA 0.036 44.877 45.100 -0.432 0.000 1.026 650 G HN 0.181 nan 8.290 nan 0.000 0.579 651 Y N -0.656 119.636 120.300 -0.014 0.000 2.471 651 Y HA 0.297 4.847 4.550 0.001 0.000 0.249 651 Y C 0.897 176.752 175.900 -0.075 0.000 1.116 651 Y CA -0.261 57.830 58.100 -0.014 0.000 1.240 651 Y CB 0.584 39.057 38.460 0.022 0.000 1.251 651 Y HN 0.500 nan 8.280 nan 0.000 0.527 652 K N -1.233 119.108 120.400 -0.098 0.000 2.399 652 K HA 0.499 4.820 4.320 0.001 0.000 0.260 652 K C -1.197 175.222 176.600 -0.301 0.000 1.049 652 K CA -1.066 55.126 56.287 -0.159 0.000 0.890 652 K CB 0.590 32.991 32.500 -0.166 0.000 1.430 652 K HN -0.324 nan 8.250 nan 0.000 0.459 653 N N 0.284 118.851 118.700 -0.220 0.000 2.518 653 N HA 0.216 4.956 4.740 0.001 0.000 0.266 653 N C -1.259 174.060 175.510 -0.318 0.000 1.196 653 N CA -0.062 52.877 53.050 -0.185 0.000 0.947 653 N CB 0.064 38.490 38.487 -0.101 0.000 1.098 653 N HN 0.403 nan 8.380 nan 0.000 0.450 654 Y N 0.659 120.899 120.300 -0.101 0.000 2.534 654 Y HA 0.447 4.997 4.550 0.001 0.000 0.329 654 Y C -1.727 174.122 175.900 -0.085 0.000 1.154 654 Y CA -2.226 55.817 58.100 -0.094 0.000 1.192 654 Y CB 0.550 38.951 38.460 -0.098 0.000 1.275 654 Y HN 0.449 nan 8.280 nan 0.000 0.491 655 P HA -0.010 nan 4.420 nan 0.000 0.267 655 P C -0.111 177.229 177.300 0.067 0.000 1.200 655 P CA 0.311 63.426 63.100 0.026 0.000 0.772 655 P CB 0.761 32.461 31.700 0.000 0.000 0.855 656 D N 1.588 122.014 120.400 0.044 0.000 2.182 656 D HA -0.170 4.470 4.640 0.001 0.000 0.201 656 D C 1.518 177.938 176.300 0.201 0.000 0.986 656 D CA 1.306 55.368 54.000 0.103 0.000 0.847 656 D CB -0.556 40.294 40.800 0.083 0.000 0.942 656 D HN 0.491 nan 8.370 nan 0.000 0.467 657 N N 0.735 119.527 118.700 0.153 0.000 2.453 657 N HA -0.116 4.624 4.740 0.001 0.000 0.183 657 N C 1.577 177.339 175.510 0.420 0.000 1.041 657 N CA 0.614 53.806 53.050 0.237 0.000 0.900 657 N CB -0.545 38.030 38.487 0.147 0.000 0.961 657 N HN 0.126 nan 8.380 nan 0.000 0.443 658 V N 0.892 121.002 119.914 0.326 0.000 2.302 658 V HA -0.093 4.027 4.120 0.001 0.000 0.243 658 V C 2.360 178.553 176.094 0.167 0.000 1.036 658 V CA 0.991 63.479 62.300 0.313 0.000 1.020 658 V CB -0.445 31.462 31.823 0.140 0.000 0.657 658 V HN 0.108 nan 8.190 nan 0.000 0.453 659 I N -0.235 120.403 120.570 0.112 0.000 2.163 659 I HA -0.280 3.891 4.170 0.001 0.000 0.243 659 I C 2.363 178.526 176.117 0.077 0.000 1.085 659 I CA 1.890 63.233 61.300 0.073 0.000 1.347 659 I CB -0.655 37.353 38.000 0.014 0.000 1.044 659 I HN 0.336 nan 8.210 nan 0.000 0.408 660 H N 0.123 119.229 119.070 0.060 0.000 2.290 660 H HA -0.221 4.336 4.556 0.001 0.000 0.298 660 H C 2.306 177.648 175.328 0.024 0.000 1.087 660 H CA 2.115 58.179 56.048 0.027 0.000 1.291 660 H CB -0.054 29.729 29.762 0.035 0.000 1.369 660 H HN 0.186 nan 8.280 nan 0.000 0.492 661 K N -0.369 120.133 120.400 0.170 0.000 2.057 661 K HA -0.169 4.151 4.320 0.001 0.000 0.207 661 K C 1.942 178.595 176.600 0.089 0.000 1.049 661 K CA 1.261 57.555 56.287 0.011 0.000 0.931 661 K CB -0.191 32.139 32.500 -0.283 0.000 0.714 661 K HN 0.171 nan 8.250 nan 0.000 0.440 662 F N 1.023 120.974 119.950 0.002 0.000 2.134 662 F HA -0.191 4.336 4.527 0.001 0.000 0.299 662 F C 1.778 177.669 175.800 0.151 0.000 1.097 662 F CA 1.173 59.225 58.000 0.086 0.000 1.264 662 F CB -0.395 38.603 39.000 -0.004 0.000 1.001 662 F HN -0.203 nan 8.300 nan 0.000 0.479 663 V N 0.174 120.057 119.914 -0.052 0.000 2.427 663 V HA -0.304 3.816 4.120 0.001 0.000 0.248 663 V C 2.301 178.325 176.094 -0.117 0.000 1.051 663 V CA 2.076 64.237 62.300 -0.232 0.000 1.048 663 V CB -0.810 30.776 31.823 -0.396 0.000 0.666 663 V HN 0.359 nan 8.190 nan 0.000 0.456 664 Q N -0.529 119.243 119.800 -0.047 0.000 2.096 664 Q HA -0.219 4.121 4.340 0.001 0.000 0.204 664 Q C 2.364 178.370 176.000 0.010 0.000 0.982 664 Q CA 1.646 57.441 55.803 -0.013 0.000 0.850 664 Q CB -0.134 28.600 28.738 -0.006 0.000 0.901 664 Q HN 0.557 nan 8.270 nan 0.000 0.422 665 E N -0.189 120.025 120.200 0.024 0.000 2.158 665 E HA -0.042 4.308 4.350 0.001 0.000 0.191 665 E C 2.116 178.837 176.600 0.203 0.000 0.982 665 E CA 0.629 57.058 56.400 0.047 0.000 0.823 665 E CB 0.007 29.698 29.700 -0.016 0.000 0.766 665 E HN 0.169 nan 8.360 nan 0.000 0.468 666 S N 1.134 116.952 115.700 0.196 0.000 2.355 666 S HA -0.121 4.350 4.470 0.001 0.000 0.222 666 S C 2.104 176.821 174.600 0.195 0.000 1.031 666 S CA 1.146 59.471 58.200 0.209 0.000 0.993 666 S CB -0.178 63.108 63.200 0.144 0.000 0.859 666 S HN 0.390 nan 8.310 nan 0.000 0.453 667 A N 1.636 124.629 122.820 0.289 0.000 1.902 667 A HA -0.108 4.212 4.320 0.001 0.000 0.217 667 A C 2.054 179.684 177.584 0.077 0.000 1.181 667 A CA 1.478 53.658 52.037 0.238 0.000 0.623 667 A CB -0.477 18.659 19.000 0.227 0.000 0.818 667 A HN 0.369 nan 8.150 nan 0.000 0.443 668 K N -0.521 119.910 120.400 0.052 0.000 2.097 668 K HA -0.076 4.245 4.320 0.001 0.000 0.206 668 K C 1.935 178.528 176.600 -0.012 0.000 1.049 668 K CA 1.161 57.451 56.287 0.005 0.000 0.933 668 K CB -0.220 32.274 32.500 -0.010 0.000 0.717 668 K HN 0.426 nan 8.250 nan 0.000 0.442 669 A N -0.574 122.255 122.820 0.015 0.000 2.208 669 A HA 0.145 4.465 4.320 0.001 0.000 0.209 669 A C 1.284 178.814 177.584 -0.089 0.000 1.161 669 A CA 1.212 53.246 52.037 -0.005 0.000 0.782 669 A CB 0.178 19.249 19.000 0.119 0.000 0.816 669 A HN 0.491 nan 8.150 nan 0.000 0.477 670 G N -1.551 107.183 108.800 -0.110 0.000 2.613 670 G HA2 -0.039 3.922 3.960 0.001 0.000 0.199 670 G HA3 -0.039 3.922 3.960 0.001 0.000 0.199 670 G C -0.047 174.740 174.900 -0.189 0.000 0.991 670 G CA -0.156 44.829 45.100 -0.191 0.000 0.756 670 G HN 0.156 nan 8.290 nan 0.000 0.515 671 I N 2.111 122.588 120.570 -0.155 0.000 2.634 671 I HA 0.270 4.440 4.170 0.001 0.000 0.284 671 I C 0.500 176.478 176.117 -0.231 0.000 1.124 671 I CA 0.368 61.530 61.300 -0.230 0.000 1.417 671 I CB 0.865 38.587 38.000 -0.465 0.000 1.396 671 I HN 0.110 nan 8.210 nan 0.000 0.571 672 D N 3.638 123.897 120.400 -0.235 0.000 2.531 672 D HA 0.094 4.735 4.640 0.001 0.000 0.263 672 D C -0.032 176.214 176.300 -0.090 0.000 1.057 672 D CA 0.725 54.648 54.000 -0.130 0.000 0.909 672 D CB 1.184 41.906 40.800 -0.129 0.000 1.236 672 D HN 0.199 nan 8.370 nan 0.000 0.494 673 V N 2.099 121.915 119.914 -0.163 0.000 2.409 673 V HA 0.319 4.439 4.120 0.001 0.000 0.291 673 V C -0.933 175.099 176.094 -0.103 0.000 1.020 673 V CA -0.597 61.709 62.300 0.010 0.000 0.848 673 V CB 1.353 33.239 31.823 0.105 0.000 0.990 673 V HN -0.069 nan 8.190 nan 0.000 0.430 674 F N 3.851 123.902 119.950 0.170 0.000 2.388 674 F HA 0.524 5.051 4.527 0.001 0.000 0.358 674 F C 0.678 176.595 175.800 0.194 0.000 1.122 674 F CA -0.503 57.599 58.000 0.169 0.000 1.056 674 F CB 1.252 40.341 39.000 0.149 0.000 1.155 674 F HN 0.327 nan 8.300 nan 0.000 0.461 675 R N 5.247 125.924 120.500 0.295 0.000 2.235 675 R HA 0.460 4.800 4.340 0.001 0.000 0.338 675 R C -0.846 175.626 176.300 0.287 0.000 1.087 675 R CA -0.300 55.938 56.100 0.229 0.000 0.948 675 R CB 0.012 30.370 30.300 0.096 0.000 1.099 675 R HN 0.674 nan 8.270 nan 0.000 0.483 676 I N 6.236 126.972 120.570 0.277 0.000 2.428 676 I HA 0.301 4.472 4.170 0.001 0.000 0.289 676 I C -0.254 176.000 176.117 0.228 0.000 1.019 676 I CA -0.375 61.070 61.300 0.242 0.000 1.351 676 I CB 0.761 38.925 38.000 0.274 0.000 1.412 676 I HN 0.497 nan 8.210 nan 0.000 0.513 677 F N 3.582 123.553 119.950 0.035 0.000 2.641 677 F HA 0.609 5.136 4.527 0.001 0.000 0.308 677 F C -1.553 174.276 175.800 0.048 0.000 1.105 677 F CA -1.228 56.782 58.000 0.016 0.000 0.964 677 F CB 1.310 40.316 39.000 0.010 0.000 1.294 677 F HN 0.360 nan 8.300 nan 0.000 0.442 678 D N 1.194 121.588 120.400 -0.010 0.000 2.375 678 D HA 0.351 4.991 4.640 0.001 0.000 0.247 678 D C 0.556 176.936 176.300 0.134 0.000 1.061 678 D CA -0.236 53.721 54.000 -0.073 0.000 0.834 678 D CB 2.199 43.026 40.800 0.046 0.000 1.247 678 D HN 0.713 nan 8.370 nan 0.000 0.489 679 S N 2.902 118.651 115.700 0.082 0.000 2.595 679 S HA -0.041 4.429 4.470 0.001 0.000 0.235 679 S C 1.153 175.859 174.600 0.177 0.000 0.974 679 S CA 0.366 58.694 58.200 0.213 0.000 0.942 679 S CB -0.287 63.009 63.200 0.160 0.000 0.766 679 S HN 0.608 nan 8.310 nan 0.000 0.536 680 L N 0.318 121.654 121.223 0.188 0.000 3.069 680 L HA 0.359 4.700 4.340 0.001 0.000 0.271 680 L C -0.097 176.915 176.870 0.236 0.000 1.201 680 L CA -0.377 54.573 54.840 0.184 0.000 1.015 680 L CB -0.260 41.896 42.059 0.161 0.000 1.371 680 L HN 0.093 nan 8.230 nan 0.000 0.574 681 N N 0.035 118.887 118.700 0.254 0.000 2.708 681 N HA -0.236 4.504 4.740 0.001 0.000 0.249 681 N C -0.737 174.947 175.510 0.291 0.000 1.097 681 N CA 0.733 53.937 53.050 0.257 0.000 0.710 681 N CB -1.028 37.632 38.487 0.289 0.000 1.032 681 N HN 0.428 nan 8.380 nan 0.000 0.551 682 W N 1.029 122.366 121.300 0.063 0.000 2.311 682 W HA 0.468 5.128 4.660 0.001 0.000 0.317 682 W C 0.959 177.497 176.519 0.031 0.000 1.065 682 W CA -1.070 56.299 57.345 0.040 0.000 1.364 682 W CB 0.100 29.579 29.460 0.032 0.000 1.233 682 W HN -0.064 nan 8.180 nan 0.000 0.409 683 V N 4.912 124.886 119.914 0.100 0.000 2.392 683 V HA -0.321 3.799 4.120 0.001 0.000 0.249 683 V C 1.996 177.969 176.094 -0.202 0.000 1.059 683 V CA 2.200 64.485 62.300 -0.026 0.000 1.051 683 V CB -0.546 31.294 31.823 0.029 0.000 0.658 683 V HN 0.441 nan 8.190 nan 0.000 0.455 684 D N -0.160 119.934 120.400 -0.510 0.000 2.172 684 D HA -0.197 4.443 4.640 0.001 0.000 0.196 684 D C 2.302 178.278 176.300 -0.540 0.000 0.999 684 D CA 1.244 54.864 54.000 -0.634 0.000 0.856 684 D CB -0.229 39.928 40.800 -1.071 0.000 0.934 684 D HN 0.451 nan 8.370 nan 0.000 0.453 685 Q N -0.803 118.660 119.800 -0.562 0.000 2.369 685 Q HA 0.032 4.372 4.340 0.001 0.000 0.206 685 Q C 1.931 177.843 176.000 -0.147 0.000 0.963 685 Q CA 0.516 56.134 55.803 -0.309 0.000 0.894 685 Q CB 0.037 28.671 28.738 -0.173 0.000 0.965 685 Q HN 0.469 nan 8.270 nan 0.000 0.475 686 M N -0.836 118.712 119.600 -0.085 0.000 2.465 686 M HA 0.037 4.517 4.480 0.001 0.000 0.249 686 M C 1.648 177.991 176.300 0.071 0.000 1.130 686 M CA 0.297 55.627 55.300 0.050 0.000 1.067 686 M CB 0.265 32.956 32.600 0.153 0.000 1.394 686 M HN -0.045 nan 8.290 nan 0.000 0.483 687 K N 0.596 120.981 120.400 -0.026 0.000 2.026 687 K HA -0.094 4.227 4.320 0.001 0.000 0.208 687 K C 1.932 178.474 176.600 -0.097 0.000 1.048 687 K CA 1.270 57.518 56.287 -0.064 0.000 0.929 687 K CB -0.266 32.182 32.500 -0.087 0.000 0.713 687 K HN 0.146 nan 8.250 nan 0.000 0.439 688 V N 1.512 121.370 119.914 -0.094 0.000 2.261 688 V HA -0.287 3.834 4.120 0.001 0.000 0.246 688 V C 2.420 178.379 176.094 -0.224 0.000 1.047 688 V CA 2.135 64.368 62.300 -0.112 0.000 1.015 688 V CB -0.809 30.970 31.823 -0.073 0.000 0.642 688 V HN 0.376 nan 8.190 nan 0.000 0.446 689 A N 0.429 123.151 122.820 -0.162 0.000 1.883 689 A HA -0.325 3.996 4.320 0.001 0.000 0.217 689 A C 2.080 179.547 177.584 -0.194 0.000 1.186 689 A CA 2.482 54.416 52.037 -0.172 0.000 0.624 689 A CB -0.974 17.995 19.000 -0.050 0.000 0.822 689 A HN 0.620 nan 8.150 nan 0.000 0.444 690 N N -0.066 118.545 118.700 -0.148 0.000 2.061 690 N HA -0.203 4.537 4.740 0.001 0.000 0.193 690 N C 1.620 176.965 175.510 -0.275 0.000 1.030 690 N CA 2.211 55.086 53.050 -0.292 0.000 0.856 690 N CB -0.352 37.772 38.487 -0.606 0.000 1.023 690 N HN 0.651 nan 8.380 nan 0.000 0.424 691 E N -0.567 119.497 120.200 -0.227 0.000 2.110 691 E HA -0.110 4.241 4.350 0.001 0.000 0.193 691 E C 1.924 178.440 176.600 -0.139 0.000 0.988 691 E CA 1.144 57.456 56.400 -0.146 0.000 0.804 691 E CB -0.206 29.460 29.700 -0.056 0.000 0.745 691 E HN 0.521 nan 8.360 nan 0.000 0.458 692 A N 0.667 123.302 122.820 -0.308 0.000 1.930 692 A HA -0.123 4.197 4.320 0.001 0.000 0.217 692 A C 2.451 179.887 177.584 -0.247 0.000 1.175 692 A CA 1.024 52.864 52.037 -0.329 0.000 0.627 692 A CB -0.476 18.171 19.000 -0.588 0.000 0.815 692 A HN 0.116 nan 8.150 nan 0.000 0.443 693 V N 0.224 119.962 119.914 -0.292 0.000 2.307 693 V HA -0.256 3.864 4.120 0.001 0.000 0.245 693 V C 2.717 178.770 176.094 -0.069 0.000 1.045 693 V CA 1.941 64.080 62.300 -0.269 0.000 1.024 693 V CB -0.830 30.858 31.823 -0.225 0.000 0.651 693 V HN 0.563 nan 8.190 nan 0.000 0.449 694 Q N 0.106 119.880 119.800 -0.042 0.000 2.045 694 Q HA -0.309 4.031 4.340 0.001 0.000 0.206 694 Q C 2.260 178.270 176.000 0.017 0.000 0.991 694 Q CA 2.094 57.916 55.803 0.032 0.000 0.851 694 Q CB -0.493 28.234 28.738 -0.019 0.000 0.911 694 Q HN 0.745 nan 8.270 nan 0.000 0.418 695 E N 0.258 120.451 120.200 -0.011 0.000 2.219 695 E HA -0.154 4.196 4.350 0.001 0.000 0.198 695 E C 1.452 178.054 176.600 0.002 0.000 0.998 695 E CA 0.917 57.319 56.400 0.003 0.000 0.818 695 E CB 0.035 29.747 29.700 0.021 0.000 0.741 695 E HN 0.340 nan 8.360 nan 0.000 0.477 696 A N -0.250 122.565 122.820 -0.009 0.000 2.238 696 A HA 0.232 4.553 4.320 0.001 0.000 0.208 696 A C 1.657 179.256 177.584 0.024 0.000 1.177 696 A CA 0.841 52.881 52.037 0.005 0.000 0.804 696 A CB -0.312 18.686 19.000 -0.003 0.000 0.823 696 A HN 0.415 nan 8.150 nan 0.000 0.482 697 G N -0.576 108.238 108.800 0.024 0.000 2.153 697 G HA2 -0.252 3.708 3.960 0.001 0.000 0.252 697 G HA3 -0.252 3.708 3.960 0.001 0.000 0.252 697 G C 0.200 175.109 174.900 0.016 0.000 0.994 697 G CA 0.778 45.887 45.100 0.016 0.000 0.698 697 G HN 0.476 nan 8.290 nan 0.000 0.521 698 K N -0.489 119.952 120.400 0.067 0.000 2.245 698 K HA 0.650 4.970 4.320 0.001 0.000 0.234 698 K C 0.591 177.265 176.600 0.124 0.000 1.021 698 K CA -1.109 55.247 56.287 0.115 0.000 0.898 698 K CB 1.340 34.008 32.500 0.280 0.000 1.163 698 K HN 0.169 nan 8.250 nan 0.000 0.459 699 I N 1.043 121.701 120.570 0.147 0.000 2.396 699 I HA 0.011 4.182 4.170 0.001 0.000 0.289 699 I C 0.558 176.924 176.117 0.416 0.000 1.056 699 I CA 0.015 61.412 61.300 0.161 0.000 1.365 699 I CB 1.105 39.193 38.000 0.147 0.000 1.407 699 I HN 0.282 nan 8.210 nan 0.000 0.509 700 S N 6.218 122.295 115.700 0.628 0.000 2.422 700 S HA 0.222 4.692 4.470 0.001 0.000 0.298 700 S C -0.327 174.629 174.600 0.593 0.000 1.118 700 S CA -0.565 57.960 58.200 0.541 0.000 1.083 700 S CB 0.363 63.737 63.200 0.290 0.000 0.971 700 S HN 0.605 nan 8.310 nan 0.000 0.478 701 E N 3.639 124.145 120.200 0.509 0.000 2.092 701 E HA 0.521 4.871 4.350 0.001 0.000 0.271 701 E C -0.036 176.650 176.600 0.143 0.000 0.919 701 E CA -0.606 56.001 56.400 0.344 0.000 0.760 701 E CB 0.934 30.802 29.700 0.279 0.000 1.106 701 E HN 0.710 nan 8.360 nan 0.000 0.408 702 G N 2.832 111.485 108.800 -0.245 0.000 2.332 702 G HA2 0.352 4.312 3.960 0.001 0.000 0.310 702 G HA3 0.352 4.312 3.960 0.001 0.000 0.310 702 G C -0.455 174.218 174.900 -0.379 0.000 1.123 702 G CA -0.241 44.288 45.100 -0.952 0.000 0.873 702 G HN 0.434 nan 8.290 nan 0.000 0.460 703 T N 1.988 116.407 114.554 -0.225 0.000 2.855 703 T HA 0.529 4.879 4.350 0.001 0.000 0.281 703 T C 0.042 174.748 174.700 0.009 0.000 1.007 703 T CA -0.101 61.970 62.100 -0.048 0.000 1.009 703 T CB 1.331 70.230 68.868 0.052 0.000 0.983 703 T HN 0.351 nan 8.240 nan 0.000 0.455 704 I N 1.464 122.068 120.570 0.057 0.000 2.441 704 I HA 0.405 4.576 4.170 0.001 0.000 0.295 704 I C -0.223 176.007 176.117 0.188 0.000 0.994 704 I CA -0.744 60.648 61.300 0.153 0.000 1.144 704 I CB 1.323 39.454 38.000 0.218 0.000 1.314 704 I HN 0.530 nan 8.210 nan 0.000 0.445 705 C N 5.071 124.514 119.300 0.238 0.000 2.330 705 C HA 0.329 4.789 4.460 0.001 0.000 0.344 705 C C 0.001 175.173 174.990 0.303 0.000 1.273 705 C CA -0.600 58.541 59.018 0.206 0.000 1.879 705 C CB -0.196 27.643 27.740 0.166 0.000 2.376 705 C HN 0.590 nan 8.230 nan 0.000 0.534 706 Y N 2.796 123.167 120.300 0.117 0.000 2.304 706 Y HA 0.541 5.091 4.550 0.001 0.000 0.328 706 Y C 0.673 176.608 175.900 0.058 0.000 1.123 706 Y CA 0.731 58.902 58.100 0.117 0.000 1.218 706 Y CB 0.793 39.228 38.460 -0.043 0.000 1.207 706 Y HN 0.843 nan 8.280 nan 0.000 0.495 707 T N 2.788 117.058 114.554 -0.472 0.000 2.812 707 T HA 0.673 5.024 4.350 0.001 0.000 0.294 707 T C 0.131 174.486 174.700 -0.575 0.000 1.159 707 T CA -0.381 61.436 62.100 -0.471 0.000 1.008 707 T CB 0.998 69.498 68.868 -0.612 0.000 1.289 707 T HN 1.204 nan 8.240 nan 0.000 0.514 708 G N 0.965 109.597 108.800 -0.280 0.000 2.578 708 G HA2 -0.035 3.925 3.960 0.001 0.000 0.275 708 G HA3 -0.035 3.925 3.960 0.001 0.000 0.275 708 G C -0.948 173.919 174.900 -0.055 0.000 1.271 708 G CA 0.621 45.654 45.100 -0.112 0.000 0.941 708 G HN 1.061 nan 8.290 nan 0.000 0.564 709 D N -0.652 119.761 120.400 0.022 0.000 2.616 709 D HA 0.477 5.117 4.640 0.001 0.000 0.238 709 D C 1.198 177.578 176.300 0.132 0.000 1.354 709 D CA -0.037 54.029 54.000 0.110 0.000 0.970 709 D CB 0.709 41.537 40.800 0.046 0.000 1.369 709 D HN 0.865 nan 8.370 nan 0.000 0.585 710 I N 1.374 122.084 120.570 0.233 0.000 3.001 710 I HA 0.090 4.261 4.170 0.001 0.000 0.268 710 I C 1.268 177.469 176.117 0.141 0.000 1.267 710 I CA 0.660 62.089 61.300 0.216 0.000 1.472 710 I CB -0.204 37.986 38.000 0.315 0.000 1.089 710 I HN 0.351 nan 8.210 nan 0.000 0.468 711 L N 0.460 121.748 121.223 0.109 0.000 2.554 711 L HA 0.127 4.467 4.340 0.001 0.000 0.226 711 L C 0.532 177.428 176.870 0.043 0.000 1.137 711 L CA 0.380 55.258 54.840 0.062 0.000 0.863 711 L CB -0.520 41.558 42.059 0.032 0.000 0.985 711 L HN 0.341 nan 8.230 nan 0.000 0.451 712 N N 0.166 118.895 118.700 0.049 0.000 2.573 712 N HA 0.195 4.936 4.740 0.001 0.000 0.262 712 N C -1.830 173.705 175.510 0.042 0.000 1.029 712 N CA -1.983 51.088 53.050 0.034 0.000 0.882 712 N CB 1.606 40.105 38.487 0.021 0.000 1.204 712 N HN -0.225 nan 8.380 nan 0.000 0.519 713 P HA -0.107 nan 4.420 nan 0.000 0.218 713 P C 0.359 177.675 177.300 0.025 0.000 1.149 713 P CA 1.230 64.348 63.100 0.031 0.000 0.817 713 P CB 0.605 32.320 31.700 0.024 0.000 0.785 714 E N -0.449 119.766 120.200 0.024 0.000 2.285 714 E HA -0.131 4.219 4.350 0.001 0.000 0.194 714 E C 2.201 178.824 176.600 0.037 0.000 0.997 714 E CA 0.263 56.676 56.400 0.022 0.000 0.845 714 E CB -0.219 29.489 29.700 0.014 0.000 0.782 714 E HN 0.057 nan 8.360 nan 0.000 0.491 715 R N 1.086 121.615 120.500 0.050 0.000 2.073 715 R HA -0.022 4.319 4.340 0.001 0.000 0.234 715 R C 1.033 177.397 176.300 0.105 0.000 1.134 715 R CA 1.609 57.758 56.100 0.083 0.000 0.952 715 R CB -0.014 30.333 30.300 0.078 0.000 0.850 715 R HN 0.052 nan 8.270 nan 0.000 0.433 716 S N -4.004 111.737 115.700 0.068 0.000 2.815 716 S HA 0.328 4.799 4.470 0.001 0.000 0.296 716 S C 0.366 174.953 174.600 -0.022 0.000 1.224 716 S CA -0.100 58.121 58.200 0.035 0.000 0.938 716 S CB -0.282 62.962 63.200 0.074 0.000 1.285 716 S HN 0.098 nan 8.310 nan 0.000 0.549 717 I N 0.035 120.413 120.570 -0.320 0.000 4.329 717 I HA -0.329 3.841 4.170 0.001 0.000 0.085 717 I C 0.210 175.849 176.117 -0.796 0.000 0.589 717 I CA 2.486 63.426 61.300 -0.600 0.000 0.995 717 I CB -1.277 36.178 38.000 -0.908 0.000 0.888 717 I HN 0.693 nan 8.210 nan 0.000 0.186 718 Y N 2.371 122.357 120.300 -0.523 0.000 2.636 718 Y HA 0.395 4.945 4.550 0.001 0.000 0.334 718 Y C 0.843 176.594 175.900 -0.247 0.000 1.286 718 Y CA -0.279 57.410 58.100 -0.685 0.000 1.688 718 Y CB -0.305 37.815 38.460 -0.567 0.000 1.662 718 Y HN 0.085 nan 8.280 nan 0.000 0.465 719 T N 1.202 115.731 114.554 -0.042 0.000 2.937 719 T HA 0.102 4.453 4.350 0.001 0.000 0.283 719 T C 1.109 175.980 174.700 0.286 0.000 1.012 719 T CA -0.812 61.360 62.100 0.121 0.000 0.997 719 T CB 1.487 70.392 68.868 0.062 0.000 1.136 719 T HN 0.388 nan 8.240 nan 0.000 0.551 720 L N 0.914 122.316 121.223 0.298 0.000 2.043 720 L HA -0.096 4.245 4.340 0.001 0.000 0.212 720 L C 2.263 179.289 176.870 0.260 0.000 1.075 720 L CA 2.002 57.039 54.840 0.328 0.000 0.752 720 L CB -0.748 41.429 42.059 0.196 0.000 0.891 720 L HN 0.635 nan 8.230 nan 0.000 0.432 721 E N -1.719 118.579 120.200 0.164 0.000 2.106 721 E HA -0.257 4.093 4.350 0.001 0.000 0.192 721 E C 2.018 178.675 176.600 0.096 0.000 0.984 721 E CA 1.237 57.702 56.400 0.108 0.000 0.806 721 E CB -0.488 29.255 29.700 0.071 0.000 0.750 721 E HN 0.646 nan 8.360 nan 0.000 0.458 722 Y N -0.365 119.894 120.300 -0.067 0.000 2.128 722 Y HA -0.320 4.230 4.550 0.001 0.000 0.284 722 Y C 1.673 177.480 175.900 -0.154 0.000 1.154 722 Y CA 1.951 59.939 58.100 -0.187 0.000 1.149 722 Y CB -0.516 37.717 38.460 -0.379 0.000 0.976 722 Y HN 0.150 nan 8.280 nan 0.000 0.505 723 Y N -1.429 118.921 120.300 0.084 0.000 2.263 723 Y HA -0.177 4.373 4.550 0.001 0.000 0.292 723 Y C 2.525 178.402 175.900 -0.038 0.000 1.130 723 Y CA 1.294 59.392 58.100 -0.002 0.000 1.179 723 Y CB -0.602 37.948 38.460 0.150 0.000 0.998 723 Y HN -0.054 nan 8.280 nan 0.000 0.532 724 V N 0.510 120.506 119.914 0.137 0.000 2.343 724 V HA -0.306 3.814 4.120 0.001 0.000 0.247 724 V C 2.349 178.452 176.094 0.015 0.000 1.051 724 V CA 2.047 64.390 62.300 0.072 0.000 1.036 724 V CB -0.523 31.341 31.823 0.069 0.000 0.654 724 V HN 0.332 nan 8.190 nan 0.000 0.451 725 K N -0.454 119.932 120.400 -0.023 0.000 2.097 725 K HA -0.177 4.143 4.320 0.001 0.000 0.205 725 K C 2.135 178.693 176.600 -0.070 0.000 1.050 725 K CA 1.335 57.596 56.287 -0.045 0.000 0.938 725 K CB -0.143 32.322 32.500 -0.058 0.000 0.718 725 K HN 0.284 nan 8.250 nan 0.000 0.442 726 L N 0.928 122.067 121.223 -0.140 0.000 2.109 726 L HA -0.017 4.324 4.340 0.001 0.000 0.207 726 L C 2.228 179.069 176.870 -0.049 0.000 1.086 726 L CA 1.771 56.526 54.840 -0.141 0.000 0.760 726 L CB -0.783 41.103 42.059 -0.288 0.000 0.910 726 L HN 0.215 nan 8.230 nan 0.000 0.437 727 A N -0.718 122.095 122.820 -0.012 0.000 1.858 727 A HA -0.247 4.074 4.320 0.001 0.000 0.216 727 A C 2.345 179.936 177.584 0.012 0.000 1.190 727 A CA 1.869 53.911 52.037 0.009 0.000 0.617 727 A CB -0.486 18.532 19.000 0.030 0.000 0.827 727 A HN 0.385 nan 8.150 nan 0.000 0.443 728 K N -0.606 119.802 120.400 0.012 0.000 2.113 728 K HA -0.213 4.107 4.320 0.001 0.000 0.208 728 K C 2.102 178.716 176.600 0.024 0.000 1.047 728 K CA 1.705 58.002 56.287 0.018 0.000 0.928 728 K CB -0.138 32.369 32.500 0.013 0.000 0.716 728 K HN 0.688 nan 8.250 nan 0.000 0.446 729 E N 0.769 120.980 120.200 0.017 0.000 2.077 729 E HA -0.164 4.186 4.350 0.001 0.000 0.193 729 E C 1.816 178.455 176.600 0.065 0.000 0.989 729 E CA 0.877 57.295 56.400 0.031 0.000 0.800 729 E CB 0.042 29.753 29.700 0.018 0.000 0.746 729 E HN 0.226 nan 8.360 nan 0.000 0.452 730 L N 0.560 121.819 121.223 0.060 0.000 2.275 730 L HA -0.130 4.211 4.340 0.001 0.000 0.215 730 L C 2.462 179.456 176.870 0.205 0.000 1.119 730 L CA 0.857 55.770 54.840 0.123 0.000 0.790 730 L CB -0.227 41.798 42.059 -0.057 0.000 0.919 730 L HN 0.233 nan 8.230 nan 0.000 0.443 731 E N 0.395 120.660 120.200 0.109 0.000 2.072 731 E HA -0.171 4.180 4.350 0.001 0.000 0.190 731 E C 2.299 178.940 176.600 0.069 0.000 0.982 731 E CA 0.649 57.103 56.400 0.091 0.000 0.803 731 E CB 0.181 29.913 29.700 0.054 0.000 0.755 731 E HN 0.365 nan 8.360 nan 0.000 0.453 732 R N 0.306 120.840 120.500 0.056 0.000 2.148 732 R HA -0.074 4.266 4.340 0.001 0.000 0.227 732 R C 1.706 178.013 176.300 0.013 0.000 1.103 732 R CA 0.933 57.051 56.100 0.029 0.000 0.983 732 R CB 0.030 30.345 30.300 0.025 0.000 0.874 732 R HN 0.110 nan 8.270 nan 0.000 0.451 733 E N -0.329 119.898 120.200 0.044 0.000 2.516 733 E HA -0.007 4.344 4.350 0.001 0.000 0.199 733 E C 0.992 177.489 176.600 -0.171 0.000 1.069 733 E CA 0.696 57.077 56.400 -0.033 0.000 0.876 733 E CB 0.070 29.800 29.700 0.050 0.000 0.843 733 E HN 0.507 nan 8.360 nan 0.000 0.530 734 G N 1.336 110.078 108.800 -0.097 0.000 2.176 734 G HA2 -0.302 3.658 3.960 0.001 0.000 0.252 734 G HA3 -0.302 3.658 3.960 0.001 0.000 0.252 734 G C -0.021 174.666 174.900 -0.356 0.000 1.024 734 G CA -0.071 44.917 45.100 -0.186 0.000 0.755 734 G HN 0.207 nan 8.290 nan 0.000 0.507 735 F N 0.442 120.285 119.950 -0.179 0.000 2.563 735 F HA 0.280 4.808 4.527 0.001 0.000 0.363 735 F C 2.027 177.716 175.800 -0.184 0.000 1.123 735 F CA 0.251 58.148 58.000 -0.173 0.000 1.307 735 F CB 0.557 39.538 39.000 -0.031 0.000 1.115 735 F HN 0.192 nan 8.300 nan 0.000 0.592 736 H N 3.098 122.322 119.070 0.257 0.000 2.436 736 H HA 0.224 4.780 4.556 0.001 0.000 0.294 736 H C 0.354 175.787 175.328 0.175 0.000 1.048 736 H CA 1.053 57.212 56.048 0.184 0.000 1.353 736 H CB 0.371 30.237 29.762 0.173 0.000 1.414 736 H HN 0.332 nan 8.280 nan 0.000 0.536 737 I N 1.034 121.787 120.570 0.305 0.000 2.686 737 I HA 0.121 4.292 4.170 0.001 0.000 0.295 737 I C -1.022 175.177 176.117 0.138 0.000 1.114 737 I CA -1.033 60.383 61.300 0.194 0.000 1.038 737 I CB 3.297 41.418 38.000 0.201 0.000 1.238 737 I HN -0.118 nan 8.210 nan 0.000 0.420 738 L N 6.062 127.329 121.223 0.074 0.000 2.276 738 L HA 0.805 5.146 4.340 0.001 0.000 0.286 738 L C -0.220 176.669 176.870 0.031 0.000 1.061 738 L CA 0.218 55.072 54.840 0.024 0.000 0.807 738 L CB 1.087 43.154 42.059 0.013 0.000 1.177 738 L HN 0.691 nan 8.230 nan 0.000 0.429 739 A N 6.074 128.895 122.820 0.001 0.000 2.330 739 A HA 0.751 5.071 4.320 0.001 0.000 0.327 739 A C -0.931 176.650 177.584 -0.006 0.000 1.155 739 A CA -0.597 51.439 52.037 -0.002 0.000 0.803 739 A CB 0.853 19.822 19.000 -0.052 0.000 1.208 739 A HN 0.555 nan 8.150 nan 0.000 0.477 740 I N 2.345 122.917 120.570 0.003 0.000 2.371 740 I HA 0.268 4.438 4.170 0.001 0.000 0.282 740 I C 0.227 176.366 176.117 0.035 0.000 1.031 740 I CA -0.196 61.111 61.300 0.011 0.000 1.180 740 I CB 0.930 38.914 38.000 -0.027 0.000 1.336 740 I HN 0.738 nan 8.210 nan 0.000 0.467 741 K N 4.767 125.186 120.400 0.032 0.000 2.250 741 K HA 0.135 4.455 4.320 0.001 0.000 0.280 741 K C -0.187 176.481 176.600 0.114 0.000 1.098 741 K CA -0.315 55.995 56.287 0.038 0.000 0.916 741 K CB 0.455 32.860 32.500 -0.158 0.000 1.209 741 K HN 0.345 nan 8.250 nan 0.000 0.461 742 D N 6.315 126.819 120.400 0.172 0.000 2.631 742 D HA -0.006 4.635 4.640 0.001 0.000 0.227 742 D C 1.574 177.985 176.300 0.184 0.000 1.146 742 D CA -0.404 53.687 54.000 0.152 0.000 1.009 742 D CB 0.467 41.288 40.800 0.035 0.000 1.057 742 D HN 0.579 nan 8.370 nan 0.000 0.509 743 M N 0.528 120.196 119.600 0.113 0.000 2.202 743 M HA -0.097 4.383 4.480 0.001 0.000 0.262 743 M C 1.112 177.297 176.300 -0.193 0.000 1.063 743 M CA 1.446 56.732 55.300 -0.023 0.000 1.097 743 M CB -0.952 31.604 32.600 -0.072 0.000 1.382 743 M HN 0.261 nan 8.290 nan 0.000 0.413 744 A N 0.039 122.831 122.820 -0.047 0.000 2.465 744 A HA 0.543 4.863 4.320 0.001 0.000 0.255 744 A C 1.484 179.052 177.584 -0.026 0.000 1.274 744 A CA 0.397 52.398 52.037 -0.059 0.000 0.920 744 A CB -0.751 18.255 19.000 0.010 0.000 1.033 744 A HN 0.866 nan 8.150 nan 0.000 0.516 745 G N -0.219 108.595 108.800 0.023 0.000 2.249 745 G HA2 -0.269 3.692 3.960 0.001 0.000 0.273 745 G HA3 -0.269 3.692 3.960 0.001 0.000 0.273 745 G C 0.637 175.588 174.900 0.085 0.000 1.036 745 G CA 0.666 45.778 45.100 0.020 0.000 0.824 745 G HN 0.510 nan 8.290 nan 0.000 0.504 746 L N -1.234 120.100 121.223 0.186 0.000 2.418 746 L HA 0.246 4.586 4.340 0.001 0.000 0.218 746 L C 1.636 178.700 176.870 0.325 0.000 1.125 746 L CA -0.135 54.929 54.840 0.373 0.000 0.835 746 L CB 0.006 42.298 42.059 0.389 0.000 0.953 746 L HN 0.310 nan 8.230 nan 0.000 0.454 747 L N 2.019 123.266 121.223 0.040 0.000 2.505 747 L HA 0.116 4.456 4.340 0.001 0.000 0.279 747 L C 0.428 177.242 176.870 -0.094 0.000 1.211 747 L CA -0.075 54.601 54.840 -0.273 0.000 1.059 747 L CB -0.706 41.015 42.059 -0.564 0.000 1.340 747 L HN -0.105 nan 8.230 nan 0.000 0.447 748 K N 5.449 125.828 120.400 -0.034 0.000 2.559 748 K HA -0.029 4.291 4.320 0.001 0.000 0.279 748 K C -1.455 175.118 176.600 -0.045 0.000 0.967 748 K CA -0.401 55.861 56.287 -0.041 0.000 1.000 748 K CB 0.056 32.497 32.500 -0.098 0.000 0.890 748 K HN 0.301 nan 8.250 nan 0.000 0.501 749 P HA -0.260 nan 4.420 nan 0.000 0.216 749 P C 0.777 178.073 177.300 -0.007 0.000 1.157 749 P CA 1.342 64.427 63.100 -0.026 0.000 0.880 749 P CB 0.254 31.936 31.700 -0.031 0.000 0.791 750 K N -0.418 119.978 120.400 -0.007 0.000 2.097 750 K HA -0.050 4.271 4.320 0.001 0.000 0.206 750 K C 1.986 178.628 176.600 0.069 0.000 1.049 750 K CA 1.615 57.919 56.287 0.027 0.000 0.933 750 K CB -0.956 31.551 32.500 0.011 0.000 0.717 750 K HN 0.007 nan 8.250 nan 0.000 0.442 751 A N 0.835 123.670 122.820 0.024 0.000 1.933 751 A HA -0.094 4.226 4.320 0.001 0.000 0.218 751 A C 2.340 179.908 177.584 -0.028 0.000 1.175 751 A CA 2.005 54.052 52.037 0.017 0.000 0.628 751 A CB -0.529 18.477 19.000 0.011 0.000 0.814 751 A HN 0.335 nan 8.150 nan 0.000 0.444 752 A N -1.433 121.354 122.820 -0.054 0.000 1.902 752 A HA -0.093 4.227 4.320 0.001 0.000 0.217 752 A C 2.127 179.712 177.584 0.002 0.000 1.181 752 A CA 1.646 53.641 52.037 -0.070 0.000 0.623 752 A CB -0.815 18.155 19.000 -0.051 0.000 0.818 752 A HN 0.700 nan 8.150 nan 0.000 0.443 753 Y N 0.713 120.977 120.300 -0.059 0.000 2.070 753 Y HA -0.219 4.331 4.550 0.001 0.000 0.280 753 Y C 2.353 178.235 175.900 -0.029 0.000 1.148 753 Y CA 2.317 60.392 58.100 -0.042 0.000 1.125 753 Y CB -0.385 38.054 38.460 -0.035 0.000 0.975 753 Y HN 0.450 nan 8.280 nan 0.000 0.492 754 E N -0.452 119.774 120.200 0.043 0.000 2.118 754 E HA -0.243 4.107 4.350 0.001 0.000 0.195 754 E C 2.032 178.595 176.600 -0.061 0.000 0.992 754 E CA 1.379 57.764 56.400 -0.024 0.000 0.804 754 E CB -0.338 29.404 29.700 0.070 0.000 0.741 754 E HN 0.422 nan 8.360 nan 0.000 0.458 755 L N 0.635 121.829 121.223 -0.048 0.000 2.023 755 L HA -0.105 4.236 4.340 0.001 0.000 0.205 755 L C 2.069 178.891 176.870 -0.080 0.000 1.073 755 L CA 1.380 56.189 54.840 -0.052 0.000 0.745 755 L CB -0.320 41.676 42.059 -0.104 0.000 0.900 755 L HN 0.010 nan 8.230 nan 0.000 0.435 756 I N 0.197 120.700 120.570 -0.111 0.000 2.179 756 I HA -0.166 4.005 4.170 0.001 0.000 0.242 756 I C 2.522 178.558 176.117 -0.136 0.000 1.088 756 I CA 1.589 62.822 61.300 -0.113 0.000 1.357 756 I CB -1.214 36.721 38.000 -0.108 0.000 1.051 756 I HN 0.356 nan 8.210 nan 0.000 0.409 757 G N -0.045 108.624 108.800 -0.219 0.000 2.513 757 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 757 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 757 G C 1.620 176.441 174.900 -0.133 0.000 1.160 757 G CA 0.807 45.764 45.100 -0.238 0.000 0.767 757 G HN 0.317 nan 8.290 nan 0.000 0.571 758 E N 0.362 120.505 120.200 -0.094 0.000 2.051 758 E HA -0.052 4.298 4.350 0.001 0.000 0.192 758 E C 2.794 179.380 176.600 -0.023 0.000 0.991 758 E CA 0.614 56.992 56.400 -0.038 0.000 0.799 758 E CB -0.416 29.285 29.700 0.001 0.000 0.748 758 E HN 0.463 nan 8.360 nan 0.000 0.449 759 L N 0.593 121.803 121.223 -0.022 0.000 2.046 759 L HA -0.186 4.155 4.340 0.001 0.000 0.208 759 L C 2.539 179.395 176.870 -0.023 0.000 1.077 759 L CA 1.132 55.967 54.840 -0.010 0.000 0.747 759 L CB -0.406 41.648 42.059 -0.009 0.000 0.896 759 L HN 0.032 nan 8.230 nan 0.000 0.432 760 K N 0.330 120.703 120.400 -0.046 0.000 2.281 760 K HA -0.143 4.177 4.320 0.001 0.000 0.203 760 K C 1.807 178.384 176.600 -0.038 0.000 1.046 760 K CA 1.462 57.719 56.287 -0.050 0.000 0.938 760 K CB -0.079 32.377 32.500 -0.073 0.000 0.737 760 K HN 0.397 nan 8.250 nan 0.000 0.458 761 S N -2.468 113.212 115.700 -0.034 0.000 2.593 761 S HA 0.373 4.843 4.470 0.001 0.000 0.236 761 S C 1.278 175.871 174.600 -0.011 0.000 0.991 761 S CA -0.063 58.123 58.200 -0.023 0.000 0.963 761 S CB 1.089 64.273 63.200 -0.028 0.000 0.865 761 S HN 0.192 nan 8.310 nan 0.000 0.488 762 A N 1.259 124.075 122.820 -0.006 0.000 2.035 762 A HA 0.663 4.983 4.320 0.001 0.000 0.208 762 A C 0.923 178.512 177.584 0.007 0.000 1.206 762 A CA 0.771 52.811 52.037 0.004 0.000 0.773 762 A CB -0.081 18.926 19.000 0.012 0.000 0.878 762 A HN 1.004 nan 8.150 nan 0.000 0.469 766 L N 3.062 124.300 121.223 0.024 0.000 2.456 766 L HA 0.289 4.629 4.340 0.001 0.000 0.272 766 L C -2.057 174.819 176.870 0.009 0.000 1.189 766 L CA -0.896 53.966 54.840 0.037 0.000 0.846 766 L CB -0.478 41.614 42.059 0.055 0.000 1.111 766 L HN -0.240 nan 8.230 nan 0.000 0.475 767 P HA 0.247 nan 4.420 nan 0.000 0.276 767 P C -0.664 176.607 177.300 -0.048 0.000 1.230 767 P CA -0.041 63.031 63.100 -0.048 0.000 0.776 767 P CB 0.483 32.140 31.700 -0.072 0.000 0.888 768 I N 2.773 123.300 120.570 -0.072 0.000 2.321 768 I HA 0.238 4.408 4.170 0.001 0.000 0.291 768 I C 0.510 176.602 176.117 -0.041 0.000 0.998 768 I CA -0.436 60.840 61.300 -0.041 0.000 1.227 768 I CB 0.609 38.581 38.000 -0.046 0.000 1.368 768 I HN 0.411 nan 8.210 nan 0.000 0.466 769 H N 6.770 125.775 119.070 -0.107 0.000 2.623 769 H HA 0.407 4.964 4.556 0.001 0.000 0.299 769 H C -1.072 174.216 175.328 -0.067 0.000 1.052 769 H CA -1.001 54.976 56.048 -0.118 0.000 1.231 769 H CB 1.214 30.917 29.762 -0.098 0.000 1.389 769 H HN 0.447 nan 8.280 nan 0.000 0.469 770 L N 5.673 126.981 121.223 0.142 0.000 2.275 770 L HA 0.255 4.596 4.340 0.001 0.000 0.288 770 L C -1.070 175.876 176.870 0.127 0.000 1.046 770 L CA -0.350 54.530 54.840 0.067 0.000 0.805 770 L CB 0.757 42.808 42.059 -0.013 0.000 1.193 770 L HN 0.733 nan 8.230 nan 0.000 0.426 771 H N 2.827 121.913 119.070 0.028 0.000 2.609 771 H HA 0.657 5.214 4.556 0.001 0.000 0.344 771 H C -1.070 174.310 175.328 0.087 0.000 1.040 771 H CA -0.185 55.891 56.048 0.046 0.000 1.216 771 H CB 1.434 31.152 29.762 -0.073 0.000 1.529 771 H HN 0.738 nan 8.280 nan 0.000 0.519 772 T N 3.497 117.867 114.554 -0.308 0.000 2.865 772 T HA 0.338 4.688 4.350 0.001 0.000 0.294 772 T C -1.347 173.118 174.700 -0.392 0.000 1.119 772 T CA -0.659 61.318 62.100 -0.205 0.000 1.007 772 T CB 0.995 69.776 68.868 -0.145 0.000 1.225 772 T HN 0.730 nan 8.240 nan 0.000 0.515 773 H N 1.174 120.091 119.070 -0.255 0.000 2.616 773 H HA 0.309 4.866 4.556 0.001 0.000 0.353 773 H C -0.351 174.842 175.328 -0.224 0.000 1.170 773 H CA -0.639 55.277 56.048 -0.220 0.000 1.212 773 H CB 2.024 31.710 29.762 -0.126 0.000 1.653 773 H HN 0.574 nan 8.280 nan 0.000 0.537 774 D N 0.860 121.187 120.400 -0.122 0.000 2.358 774 D HA 0.013 4.653 4.640 0.001 0.000 0.224 774 D C 1.054 177.276 176.300 -0.131 0.000 1.123 774 D CA 0.104 54.010 54.000 -0.157 0.000 0.833 774 D CB 0.172 40.871 40.800 -0.168 0.000 0.946 774 D HN 0.503 nan 8.370 nan 0.000 0.505 775 T N -1.150 113.331 114.554 -0.120 0.000 2.699 775 T HA -0.221 4.130 4.350 0.001 0.000 0.268 775 T C 2.037 176.615 174.700 -0.203 0.000 1.036 775 T CA 1.837 63.835 62.100 -0.170 0.000 1.147 775 T CB -0.295 68.460 68.868 -0.188 0.000 0.862 775 T HN 0.314 nan 8.240 nan 0.000 0.446 776 S N 0.616 116.178 115.700 -0.231 0.000 2.423 776 S HA 0.165 4.635 4.470 0.001 0.000 0.231 776 S C 2.052 176.572 174.600 -0.133 0.000 1.014 776 S CA 1.168 59.214 58.200 -0.258 0.000 0.965 776 S CB -0.591 62.457 63.200 -0.252 0.000 0.785 776 S HN 0.868 nan 8.310 nan 0.000 0.495 777 G N 1.241 109.974 108.800 -0.112 0.000 2.176 777 G HA2 -0.250 3.710 3.960 0.001 0.000 0.232 777 G HA3 -0.250 3.710 3.960 0.001 0.000 0.232 777 G C 0.351 175.210 174.900 -0.068 0.000 0.986 777 G CA 0.197 45.248 45.100 -0.082 0.000 0.643 777 G HN 0.626 nan 8.290 nan 0.000 0.522 778 N N 0.402 119.065 118.700 -0.063 0.000 2.230 778 N HA 0.342 5.083 4.740 0.001 0.000 0.202 778 N C 2.124 177.569 175.510 -0.109 0.000 1.119 778 N CA 0.424 53.444 53.050 -0.051 0.000 0.851 778 N CB 0.253 38.748 38.487 0.012 0.000 0.990 778 N HN 0.360 nan 8.380 nan 0.000 0.497 779 G N 1.458 110.154 108.800 -0.173 0.000 2.476 779 G HA2 -0.253 3.708 3.960 0.001 0.000 0.218 779 G HA3 -0.253 3.708 3.960 0.001 0.000 0.218 779 G C 1.355 176.030 174.900 -0.376 0.000 1.164 779 G CA 0.642 45.547 45.100 -0.325 0.000 0.768 779 G HN 0.200 nan 8.290 nan 0.000 0.560 780 L N -0.344 120.743 121.223 -0.226 0.000 2.042 780 L HA -0.050 4.291 4.340 0.001 0.000 0.210 780 L C 2.948 179.777 176.870 -0.069 0.000 1.076 780 L CA 0.600 55.368 54.840 -0.120 0.000 0.749 780 L CB -0.367 41.658 42.059 -0.056 0.000 0.893 780 L HN 0.200 nan 8.230 nan 0.000 0.432 781 L N -0.901 120.276 121.223 -0.077 0.000 2.012 781 L HA -0.251 4.089 4.340 0.001 0.000 0.210 781 L C 2.627 179.469 176.870 -0.047 0.000 1.073 781 L CA 1.706 56.509 54.840 -0.062 0.000 0.748 781 L CB -0.562 41.466 42.059 -0.052 0.000 0.891 781 L HN 0.243 nan 8.230 nan 0.000 0.431 782 T N -1.400 113.117 114.554 -0.063 0.000 2.720 782 T HA -0.254 4.097 4.350 0.001 0.000 0.268 782 T C 1.701 176.455 174.700 0.091 0.000 1.037 782 T CA 1.536 63.619 62.100 -0.030 0.000 1.144 782 T CB -0.385 68.427 68.868 -0.094 0.000 0.864 782 T HN 0.348 nan 8.240 nan 0.000 0.444 783 Y N 0.882 121.134 120.300 -0.080 0.000 2.200 783 Y HA -0.102 4.449 4.550 0.001 0.000 0.290 783 Y C 2.866 178.712 175.900 -0.090 0.000 1.137 783 Y CA 0.546 58.597 58.100 -0.081 0.000 1.163 783 Y CB -0.029 38.385 38.460 -0.077 0.000 0.988 783 Y HN 0.032 nan 8.280 nan 0.000 0.518 784 K N 0.591 121.022 120.400 0.052 0.000 2.057 784 K HA -0.204 4.116 4.320 0.001 0.000 0.207 784 K C 1.741 178.289 176.600 -0.085 0.000 1.049 784 K CA 1.358 57.594 56.287 -0.085 0.000 0.931 784 K CB -0.069 32.325 32.500 -0.176 0.000 0.714 784 K HN 0.372 nan 8.250 nan 0.000 0.440 785 Q N -0.229 119.550 119.800 -0.035 0.000 2.123 785 Q HA -0.038 4.302 4.340 0.001 0.000 0.199 785 Q C 2.101 178.162 176.000 0.100 0.000 0.966 785 Q CA 1.174 56.986 55.803 0.015 0.000 0.845 785 Q CB -0.236 28.511 28.738 0.015 0.000 0.907 785 Q HN 0.353 nan 8.270 nan 0.000 0.439 786 A N 1.246 124.102 122.820 0.059 0.000 1.865 786 A HA -0.180 4.140 4.320 0.001 0.000 0.217 786 A C 2.175 179.752 177.584 -0.013 0.000 1.191 786 A CA 1.316 53.367 52.037 0.023 0.000 0.623 786 A CB -0.797 18.211 19.000 0.013 0.000 0.826 786 A HN 0.304 nan 8.150 nan 0.000 0.444 787 I N 0.001 120.549 120.570 -0.037 0.000 2.264 787 I HA -0.266 3.905 4.170 0.001 0.000 0.248 787 I C 1.747 177.852 176.117 -0.021 0.000 1.111 787 I CA 1.512 62.775 61.300 -0.062 0.000 1.382 787 I CB -0.402 37.547 38.000 -0.086 0.000 1.060 787 I HN 0.257 nan 8.210 nan 0.000 0.418 788 D N 0.931 121.348 120.400 0.028 0.000 2.144 788 D HA -0.099 4.541 4.640 0.001 0.000 0.200 788 D C 2.119 178.517 176.300 0.164 0.000 0.978 788 D CA 1.433 55.494 54.000 0.102 0.000 0.833 788 D CB -0.117 40.753 40.800 0.116 0.000 0.961 788 D HN 0.350 nan 8.370 nan 0.000 0.470 789 A N -0.548 122.352 122.820 0.133 0.000 2.238 789 A HA 0.413 4.733 4.320 0.001 0.000 0.208 789 A C 1.632 179.158 177.584 -0.096 0.000 1.177 789 A CA 1.097 53.078 52.037 -0.093 0.000 0.804 789 A CB -0.104 18.720 19.000 -0.293 0.000 0.823 789 A HN 0.264 nan 8.150 nan 0.000 0.482 790 G N -1.605 107.160 108.800 -0.058 0.000 2.138 790 G HA2 -0.114 3.846 3.960 0.001 0.000 0.193 790 G HA3 -0.114 3.846 3.960 0.001 0.000 0.193 790 G C 0.291 175.131 174.900 -0.099 0.000 0.998 790 G CA 0.013 45.067 45.100 -0.077 0.000 0.668 790 G HN 1.045 nan 8.290 nan 0.000 0.516 791 V N 0.321 120.173 119.914 -0.104 0.000 2.928 791 V HA 0.294 4.415 4.120 0.001 0.000 0.307 791 V C 1.416 177.413 176.094 -0.162 0.000 1.105 791 V CA 1.855 64.079 62.300 -0.127 0.000 1.223 791 V CB 0.785 32.529 31.823 -0.131 0.000 0.930 791 V HN 0.416 nan 8.190 nan 0.000 0.499 792 D N 3.981 124.268 120.400 -0.187 0.000 2.414 792 D HA 0.261 4.901 4.640 0.001 0.000 0.237 792 D C -0.033 176.081 176.300 -0.310 0.000 0.975 792 D CA 0.808 54.665 54.000 -0.237 0.000 0.917 792 D CB 0.170 40.827 40.800 -0.238 0.000 1.061 792 D HN 0.534 nan 8.370 nan 0.000 0.480 793 I N 0.735 121.079 120.570 -0.376 0.000 2.608 793 I HA 0.407 4.577 4.170 0.001 0.000 0.295 793 I C -1.148 174.772 176.117 -0.328 0.000 1.049 793 I CA -1.365 59.644 61.300 -0.485 0.000 1.063 793 I CB 2.272 39.658 38.000 -1.024 0.000 1.248 793 I HN -0.166 nan 8.210 nan 0.000 0.424 794 I N 0.044 120.439 120.570 -0.293 0.000 2.785 794 I HA 0.588 4.758 4.170 0.001 0.000 0.302 794 I C -1.105 174.949 176.117 -0.105 0.000 1.069 794 I CA -0.661 60.447 61.300 -0.320 0.000 1.045 794 I CB 1.419 38.874 38.000 -0.908 0.000 1.236 794 I HN 0.234 nan 8.210 nan 0.000 0.429 795 D N 3.157 123.563 120.400 0.009 0.000 2.280 795 D HA 0.534 5.175 4.640 0.001 0.000 0.243 795 D C -0.146 176.214 176.300 0.099 0.000 1.129 795 D CA 0.131 54.191 54.000 0.099 0.000 0.848 795 D CB 1.356 42.252 40.800 0.159 0.000 1.107 795 D HN 0.872 nan 8.370 nan 0.000 0.471 796 T N -1.276 113.305 114.554 0.045 0.000 2.916 796 T HA 0.877 5.227 4.350 0.001 0.000 0.292 796 T C -0.462 174.216 174.700 -0.037 0.000 1.064 796 T CA -1.041 61.092 62.100 0.056 0.000 1.011 796 T CB 2.001 70.931 68.868 0.104 0.000 1.152 796 T HN 0.248 nan 8.240 nan 0.000 0.510 797 A N 1.023 123.817 122.820 -0.043 0.000 2.384 797 A HA 0.789 5.110 4.320 0.001 0.000 0.312 797 A C -0.074 177.499 177.584 -0.019 0.000 1.113 797 A CA -0.918 51.072 52.037 -0.079 0.000 0.779 797 A CB 1.232 20.160 19.000 -0.119 0.000 1.307 797 A HN 0.934 nan 8.150 nan 0.000 0.436 798 V N 1.419 121.322 119.914 -0.019 0.000 2.872 798 V HA 0.250 4.370 4.120 0.001 0.000 0.307 798 V C 1.915 178.019 176.094 0.017 0.000 1.072 798 V CA 0.608 62.931 62.300 0.040 0.000 1.148 798 V CB 0.461 32.331 31.823 0.078 0.000 0.954 798 V HN 1.262 nan 8.190 nan 0.000 0.490 799 A N 3.668 126.507 122.820 0.032 0.000 1.903 799 A HA -0.199 4.122 4.320 0.001 0.000 0.219 799 A C 2.189 179.784 177.584 0.018 0.000 1.191 799 A CA 2.561 54.611 52.037 0.021 0.000 0.638 799 A CB -0.862 18.149 19.000 0.018 0.000 0.823 799 A HN 1.126 nan 8.150 nan 0.000 0.451 800 S N -1.808 113.917 115.700 0.040 0.000 2.607 800 S HA 0.164 4.635 4.470 0.001 0.000 0.224 800 S C 1.042 175.669 174.600 0.046 0.000 0.969 800 S CA 0.850 59.085 58.200 0.059 0.000 0.927 800 S CB 0.085 63.348 63.200 0.105 0.000 0.772 800 S HN 0.394 nan 8.310 nan 0.000 0.533 801 M N 2.015 121.613 119.600 -0.004 0.000 2.502 801 M HA 0.316 4.797 4.480 0.001 0.000 0.351 801 M C 0.286 176.543 176.300 -0.073 0.000 1.118 801 M CA -0.050 55.213 55.300 -0.062 0.000 0.952 801 M CB 0.047 32.530 32.600 -0.194 0.000 1.424 801 M HN 0.426 nan 8.290 nan 0.000 0.529 802 S N -0.627 115.044 115.700 -0.048 0.000 2.747 802 S HA 0.929 5.400 4.470 0.001 0.000 0.300 802 S C 0.461 175.027 174.600 -0.057 0.000 1.121 802 S CA 0.124 58.287 58.200 -0.061 0.000 0.995 802 S CB 2.313 65.487 63.200 -0.044 0.000 1.113 802 S HN 0.625 nan 8.310 nan 0.000 0.547 803 G N 0.008 108.761 108.800 -0.079 0.000 2.756 803 G HA2 0.046 4.006 3.960 0.001 0.000 0.678 803 G HA3 0.046 4.006 3.960 0.001 0.000 0.678 803 G C -0.053 174.800 174.900 -0.079 0.000 1.349 803 G CA -0.436 44.617 45.100 -0.077 0.000 0.847 803 G HN 1.755 nan 8.290 nan 0.000 0.548 804 L N -2.472 118.699 121.223 -0.087 0.000 5.704 804 L HA -0.378 3.962 4.340 0.001 0.000 0.053 804 L C 2.783 179.588 176.870 -0.108 0.000 2.571 804 L CA 3.502 58.279 54.840 -0.106 0.000 1.641 804 L CB -1.822 40.179 42.059 -0.097 0.000 2.792 804 L HN 1.840 nan 8.230 nan 0.000 0.961 805 T N -2.956 111.535 114.554 -0.105 0.000 3.118 805 T HA 0.094 4.445 4.350 0.001 0.000 0.260 805 T C 0.780 175.533 174.700 0.089 0.000 1.139 805 T CA 0.862 62.934 62.100 -0.048 0.000 1.085 805 T CB 0.156 68.977 68.868 -0.078 0.000 0.934 805 T HN 0.466 nan 8.240 nan 0.000 0.518 806 S N 0.830 116.516 115.700 -0.023 0.000 2.666 806 S HA 0.368 4.838 4.470 0.001 0.000 0.279 806 S C 0.136 174.592 174.600 -0.241 0.000 1.149 806 S CA -0.980 57.157 58.200 -0.106 0.000 1.020 806 S CB 0.675 63.815 63.200 -0.100 0.000 1.127 806 S HN 0.502 nan 8.310 nan 0.000 0.537 807 Q N 0.344 119.953 119.800 -0.319 0.000 2.317 807 Q HA 0.428 4.769 4.340 0.001 0.000 0.229 807 Q C -2.603 173.265 176.000 -0.221 0.000 0.984 807 Q CA -2.151 53.448 55.803 -0.340 0.000 0.911 807 Q CB -1.094 27.446 28.738 -0.330 0.000 1.217 807 Q HN 0.356 nan 8.270 nan 0.000 0.501 808 P HA -0.060 nan 4.420 nan 0.000 0.269 808 P C -0.285 176.984 177.300 -0.051 0.000 1.217 808 P CA 0.092 63.089 63.100 -0.172 0.000 0.783 808 P CB 0.411 31.944 31.700 -0.279 0.000 0.898 809 S N 1.797 117.486 115.700 -0.019 0.000 2.465 809 S HA 0.262 4.732 4.470 0.001 0.000 0.280 809 S C 1.548 176.193 174.600 0.075 0.000 1.232 809 S CA 0.008 58.222 58.200 0.024 0.000 1.066 809 S CB -0.513 62.704 63.200 0.029 0.000 0.929 809 S HN 0.443 nan 8.310 nan 0.000 0.494 810 A N 6.052 128.924 122.820 0.087 0.000 1.927 810 A HA -0.200 4.121 4.320 0.001 0.000 0.220 810 A C 2.113 179.777 177.584 0.132 0.000 1.185 810 A CA 2.076 54.186 52.037 0.121 0.000 0.639 810 A CB -0.901 18.182 19.000 0.138 0.000 0.820 810 A HN 0.963 nan 8.150 nan 0.000 0.451 811 N N 0.063 118.829 118.700 0.110 0.000 2.058 811 N HA -0.129 4.611 4.740 0.001 0.000 0.191 811 N C 2.005 177.666 175.510 0.253 0.000 1.037 811 N CA 1.695 54.828 53.050 0.139 0.000 0.848 811 N CB -0.329 38.220 38.487 0.104 0.000 1.021 811 N HN 0.475 nan 8.380 nan 0.000 0.422 812 S N 1.581 117.395 115.700 0.190 0.000 2.356 812 S HA -0.104 4.366 4.470 0.001 0.000 0.223 812 S C 2.031 176.758 174.600 0.211 0.000 1.032 812 S CA 0.678 58.995 58.200 0.195 0.000 1.005 812 S CB -0.404 62.857 63.200 0.102 0.000 0.867 812 S HN 0.181 nan 8.310 nan 0.000 0.449 813 L N 0.985 122.308 121.223 0.167 0.000 2.046 813 L HA -0.089 4.252 4.340 0.001 0.000 0.208 813 L C 2.036 178.994 176.870 0.146 0.000 1.077 813 L CA 1.742 56.668 54.840 0.143 0.000 0.747 813 L CB -1.065 41.081 42.059 0.145 0.000 0.896 813 L HN 0.391 nan 8.230 nan 0.000 0.432 814 Y N -1.008 119.304 120.300 0.019 0.000 2.151 814 Y HA -0.369 4.181 4.550 0.001 0.000 0.284 814 Y C 2.115 177.938 175.900 -0.130 0.000 1.166 814 Y CA 2.319 60.361 58.100 -0.096 0.000 1.163 814 Y CB -0.479 37.839 38.460 -0.237 0.000 0.974 814 Y HN 0.324 nan 8.280 nan 0.000 0.511 815 Y N -0.952 119.443 120.300 0.158 0.000 2.420 815 Y HA 0.051 4.601 4.550 0.001 0.000 0.292 815 Y C 2.541 178.469 175.900 0.046 0.000 1.119 815 Y CA 0.482 58.625 58.100 0.072 0.000 1.229 815 Y CB -0.545 38.000 38.460 0.142 0.000 1.026 815 Y HN 0.213 nan 8.280 nan 0.000 0.554 816 A N 0.343 123.285 122.820 0.203 0.000 1.940 816 A HA -0.177 4.144 4.320 0.001 0.000 0.219 816 A C 1.834 179.510 177.584 0.154 0.000 1.176 816 A CA 1.561 53.684 52.037 0.143 0.000 0.631 816 A CB -1.001 18.043 19.000 0.074 0.000 0.814 816 A HN 0.503 nan 8.150 nan 0.000 0.446 817 L N 0.051 121.330 121.223 0.093 0.000 2.612 817 L HA 0.066 4.406 4.340 0.001 0.000 0.230 817 L C 0.196 177.205 176.870 0.233 0.000 1.140 817 L CA -0.381 54.553 54.840 0.156 0.000 0.896 817 L CB -0.695 41.382 42.059 0.029 0.000 1.065 817 L HN 0.321 nan 8.230 nan 0.000 0.447 818 N N 1.096 119.875 118.700 0.133 0.000 2.412 818 N HA 0.096 4.836 4.740 0.001 0.000 0.258 818 N C 1.212 176.741 175.510 0.031 0.000 1.236 818 N CA 0.657 53.733 53.050 0.044 0.000 0.882 818 N CB 0.539 39.058 38.487 0.054 0.000 1.066 818 N HN 0.308 nan 8.380 nan 0.000 0.465 819 G N 1.492 110.251 108.800 -0.069 0.000 2.184 819 G HA2 -0.302 3.659 3.960 0.001 0.000 0.264 819 G HA3 -0.302 3.659 3.960 0.001 0.000 0.264 819 G C -0.153 174.539 174.900 -0.347 0.000 0.975 819 G CA 0.001 44.971 45.100 -0.217 0.000 0.642 819 G HN 0.499 nan 8.290 nan 0.000 0.536 820 F N -0.178 119.759 119.950 -0.021 0.000 2.497 820 F HA 0.571 5.099 4.527 0.001 0.000 0.331 820 F C -0.441 175.353 175.800 -0.010 0.000 1.060 820 F CA -1.859 56.132 58.000 -0.015 0.000 0.989 820 F CB 1.145 40.136 39.000 -0.015 0.000 1.245 820 F HN -0.183 nan 8.300 nan 0.000 0.486 821 P HA -0.039 nan 4.420 nan 0.000 0.217 821 P C -0.442 176.901 177.300 0.072 0.000 1.150 821 P CA 1.232 64.392 63.100 0.099 0.000 0.832 821 P CB 0.248 31.998 31.700 0.083 0.000 0.787 822 R N -0.167 120.373 120.500 0.067 0.000 2.338 822 R HA 0.401 4.742 4.340 0.001 0.000 0.317 822 R C 0.045 176.363 176.300 0.029 0.000 0.968 822 R CA -0.619 55.479 56.100 -0.003 0.000 0.849 822 R CB 0.903 31.175 30.300 -0.047 0.000 1.128 822 R HN 0.334 nan 8.270 nan 0.000 0.448 823 H N 0.355 119.393 119.070 -0.052 0.000 2.693 823 H HA 0.476 5.033 4.556 0.001 0.000 0.348 823 H C -1.059 174.222 175.328 -0.079 0.000 1.222 823 H CA -1.044 54.948 56.048 -0.093 0.000 1.270 823 H CB 0.916 30.593 29.762 -0.142 0.000 1.798 823 H HN 0.329 nan 8.280 nan 0.000 0.592 824 L N 1.238 122.524 121.223 0.105 0.000 2.276 824 L HA 0.334 4.675 4.340 0.001 0.000 0.286 824 L C 0.274 177.263 176.870 0.197 0.000 1.061 824 L CA -0.266 54.628 54.840 0.091 0.000 0.807 824 L CB 0.684 42.829 42.059 0.144 0.000 1.177 824 L HN 0.781 nan 8.230 nan 0.000 0.429 825 R N 4.013 124.544 120.500 0.052 0.000 2.429 825 R HA 0.369 4.709 4.340 0.001 0.000 0.302 825 R C -0.703 175.680 176.300 0.138 0.000 1.268 825 R CA 0.357 56.512 56.100 0.091 0.000 1.090 825 R CB -0.128 30.179 30.300 0.011 0.000 1.102 825 R HN 0.859 nan 8.270 nan 0.000 0.522 826 T N 1.145 115.799 114.554 0.166 0.000 2.686 826 T HA 0.026 4.376 4.350 0.001 0.000 0.308 826 T C -2.062 172.609 174.700 -0.047 0.000 1.667 826 T CA -0.820 61.319 62.100 0.065 0.000 0.987 826 T CB 1.344 70.264 68.868 0.087 0.000 1.652 826 T HN 0.504 nan 8.240 nan 0.000 0.496 827 D N 1.682 121.979 120.400 -0.172 0.000 2.396 827 D HA 0.339 4.979 4.640 0.001 0.000 0.225 827 D C 1.404 177.495 176.300 -0.349 0.000 1.121 827 D CA -0.750 53.106 54.000 -0.240 0.000 0.853 827 D CB 0.474 41.142 40.800 -0.220 0.000 1.043 827 D HN 0.457 nan 8.370 nan 0.000 0.500 828 I N 2.857 123.123 120.570 -0.507 0.000 2.277 828 I HA 0.009 4.180 4.170 0.001 0.000 0.243 828 I C 2.163 178.120 176.117 -0.266 0.000 1.094 828 I CA 0.634 61.614 61.300 -0.533 0.000 1.393 828 I CB -0.846 36.593 38.000 -0.935 0.000 1.078 828 I HN 0.415 nan 8.210 nan 0.000 0.417 829 E N 1.871 121.953 120.200 -0.196 0.000 2.147 829 E HA -0.210 4.141 4.350 0.001 0.000 0.199 829 E C 2.267 178.817 176.600 -0.082 0.000 1.005 829 E CA 2.103 58.450 56.400 -0.090 0.000 0.810 829 E CB -0.693 28.970 29.700 -0.062 0.000 0.736 829 E HN 0.536 nan 8.360 nan 0.000 0.460 830 G N -0.223 108.496 108.800 -0.135 0.000 2.426 830 G HA2 -0.129 3.831 3.960 0.001 0.000 0.214 830 G HA3 -0.129 3.831 3.960 0.001 0.000 0.214 830 G C 1.565 176.374 174.900 -0.152 0.000 1.156 830 G CA 0.586 45.605 45.100 -0.135 0.000 0.802 830 G HN 0.200 nan 8.290 nan 0.000 0.534 831 M N 0.603 120.081 119.600 -0.203 0.000 2.296 831 M HA -0.007 4.473 4.480 0.001 0.000 0.265 831 M C 2.335 178.587 176.300 -0.080 0.000 1.064 831 M CA 0.876 56.081 55.300 -0.158 0.000 1.109 831 M CB -0.208 32.291 32.600 -0.169 0.000 1.396 831 M HN 0.193 nan 8.290 nan 0.000 0.430 832 E N 0.141 120.290 120.200 -0.085 0.000 2.047 832 E HA -0.110 4.240 4.350 0.001 0.000 0.191 832 E C 2.087 178.637 176.600 -0.084 0.000 0.987 832 E CA 1.174 57.506 56.400 -0.113 0.000 0.799 832 E CB -0.490 29.190 29.700 -0.033 0.000 0.752 832 E HN 0.366 nan 8.360 nan 0.000 0.449 833 S N 1.405 117.130 115.700 0.043 0.000 2.368 833 S HA -0.162 4.308 4.470 0.001 0.000 0.226 833 S C 2.150 176.826 174.600 0.127 0.000 1.044 833 S CA 1.086 59.357 58.200 0.119 0.000 1.062 833 S CB -0.378 62.855 63.200 0.055 0.000 0.931 833 S HN 0.195 nan 8.310 nan 0.000 0.440 834 L N 0.635 121.915 121.223 0.095 0.000 2.046 834 L HA -0.114 4.226 4.340 0.001 0.000 0.208 834 L C 2.727 179.803 176.870 0.342 0.000 1.077 834 L CA 1.295 56.277 54.840 0.236 0.000 0.747 834 L CB -0.711 41.494 42.059 0.242 0.000 0.896 834 L HN 0.335 nan 8.230 nan 0.000 0.432 835 S N -1.141 114.649 115.700 0.151 0.000 2.370 835 S HA -0.207 4.263 4.470 0.001 0.000 0.226 835 S C 2.019 176.662 174.600 0.070 0.000 1.033 835 S CA 1.088 59.340 58.200 0.087 0.000 1.011 835 S CB -0.267 62.882 63.200 -0.084 0.000 0.852 835 S HN 0.442 nan 8.310 nan 0.000 0.457 836 H N -0.875 118.283 119.070 0.146 0.000 2.387 836 H HA -0.080 4.476 4.556 0.001 0.000 0.299 836 H C 1.924 177.308 175.328 0.093 0.000 1.090 836 H CA 1.713 57.821 56.048 0.101 0.000 1.332 836 H CB -0.866 28.941 29.762 0.076 0.000 1.386 836 H HN 0.650 nan 8.280 nan 0.000 0.516 837 Y N 0.180 120.537 120.300 0.096 0.000 2.089 837 Y HA -0.244 4.306 4.550 0.001 0.000 0.282 837 Y C 2.163 177.990 175.900 -0.121 0.000 1.139 837 Y CA 1.514 59.569 58.100 -0.074 0.000 1.123 837 Y CB -0.831 37.514 38.460 -0.192 0.000 0.980 837 Y HN 0.041 nan 8.280 nan 0.000 0.493 838 W N -0.070 121.234 121.300 0.006 0.000 2.392 838 W HA -0.133 4.528 4.660 0.001 0.000 0.279 838 W C 2.997 179.445 176.519 -0.119 0.000 1.225 838 W CA 1.317 58.602 57.345 -0.101 0.000 1.233 838 W CB -0.590 28.926 29.460 0.094 0.000 1.122 838 W HN 0.078 nan 8.180 nan 0.000 0.561 839 S N -0.218 115.566 115.700 0.140 0.000 2.359 839 S HA -0.219 4.251 4.470 0.001 0.000 0.223 839 S C 1.850 176.437 174.600 -0.022 0.000 1.039 839 S CA 2.240 60.489 58.200 0.080 0.000 1.042 839 S CB -0.676 62.589 63.200 0.107 0.000 0.915 839 S HN 0.204 nan 8.310 nan 0.000 0.439 840 T N 1.572 116.051 114.554 -0.124 0.000 2.701 840 T HA -0.055 4.296 4.350 0.001 0.000 0.263 840 T C 1.874 176.240 174.700 -0.557 0.000 1.040 840 T CA 1.476 63.428 62.100 -0.246 0.000 1.147 840 T CB -0.561 68.174 68.868 -0.222 0.000 0.865 840 T HN 0.235 nan 8.240 nan 0.000 0.426 841 V N 1.622 121.088 119.914 -0.747 0.000 2.324 841 V HA -0.249 3.872 4.120 0.001 0.000 0.250 841 V C 2.605 178.478 176.094 -0.367 0.000 1.060 841 V CA 2.040 63.761 62.300 -0.965 0.000 1.042 841 V CB -0.658 30.703 31.823 -0.769 0.000 0.650 841 V HN 0.382 nan 8.190 nan 0.000 0.450 842 R N -0.339 120.170 120.500 0.016 0.000 2.113 842 R HA -0.243 4.098 4.340 0.001 0.000 0.244 842 R C 2.422 178.850 176.300 0.212 0.000 1.142 842 R CA 2.281 58.521 56.100 0.232 0.000 0.953 842 R CB -0.746 29.660 30.300 0.177 0.000 0.860 842 R HN 0.492 nan 8.270 nan 0.000 0.438 843 T N 0.131 114.719 114.554 0.058 0.000 2.714 843 T HA -0.230 4.120 4.350 0.001 0.000 0.268 843 T C 1.277 176.157 174.700 0.301 0.000 1.036 843 T CA 1.833 64.020 62.100 0.146 0.000 1.148 843 T CB -0.360 68.577 68.868 0.115 0.000 0.856 843 T HN 0.479 nan 8.240 nan 0.000 0.462 844 Y N -1.385 118.944 120.300 0.049 0.000 2.403 844 Y HA -0.111 4.439 4.550 0.001 0.000 0.291 844 Y C 1.144 176.965 175.900 -0.132 0.000 1.143 844 Y CA 0.296 58.283 58.100 -0.188 0.000 1.257 844 Y CB -0.101 38.071 38.460 -0.480 0.000 0.984 844 Y HN 0.338 nan 8.280 nan 0.000 0.550 845 Y N -0.915 119.617 120.300 0.386 0.000 2.681 845 Y HA 0.072 4.623 4.550 0.001 0.000 0.267 845 Y C 1.977 178.023 175.900 0.244 0.000 1.166 845 Y CA -0.283 58.050 58.100 0.389 0.000 1.209 845 Y CB -0.045 38.667 38.460 0.420 0.000 1.161 845 Y HN 0.064 nan 8.280 nan 0.000 0.534 846 S N -0.892 114.959 115.700 0.252 0.000 2.387 846 S HA -0.258 4.213 4.470 0.001 0.000 0.230 846 S C 1.488 176.090 174.600 0.003 0.000 1.035 846 S CA 1.709 59.990 58.200 0.136 0.000 1.014 846 S CB -0.271 62.997 63.200 0.112 0.000 0.836 846 S HN 0.457 nan 8.310 nan 0.000 0.466 847 D N 0.870 121.164 120.400 -0.177 0.000 2.315 847 D HA -0.083 4.557 4.640 0.001 0.000 0.211 847 D C 0.772 176.713 176.300 -0.598 0.000 0.977 847 D CA 1.071 54.775 54.000 -0.493 0.000 0.894 847 D CB -0.225 40.056 40.800 -0.864 0.000 0.910 847 D HN 0.600 nan 8.370 nan 0.000 0.490 848 F N 0.288 120.261 119.950 0.039 0.000 2.682 848 F HA 0.142 4.669 4.527 0.001 0.000 0.308 848 F C 1.376 177.192 175.800 0.028 0.000 1.093 848 F CA -0.461 57.555 58.000 0.027 0.000 1.244 848 F CB 0.479 39.514 39.000 0.058 0.000 1.052 848 F HN -0.346 nan 8.300 nan 0.000 0.573 853 D N 0.691 121.104 120.400 0.022 0.000 2.149 853 D HA 0.061 4.702 4.640 0.001 0.000 0.201 853 D C 0.947 177.282 176.300 0.058 0.000 0.972 853 D CA 1.379 55.395 54.000 0.026 0.000 0.835 853 D CB -0.419 40.385 40.800 0.006 0.000 0.966 853 D HN 0.581 nan 8.370 nan 0.000 0.476 854 I N -0.677 119.944 120.570 0.085 0.000 2.692 854 I HA 0.163 4.333 4.170 0.001 0.000 0.284 854 I C 0.592 176.705 176.117 -0.006 0.000 1.159 854 I CA 0.057 61.367 61.300 0.017 0.000 1.423 854 I CB 0.759 38.698 38.000 -0.100 0.000 1.380 854 I HN -0.103 nan 8.210 nan 0.000 0.580 855 K N 1.710 122.104 120.400 -0.010 0.000 2.582 855 K HA 0.474 4.794 4.320 0.001 0.000 0.204 855 K C -0.402 176.187 176.600 -0.018 0.000 1.221 855 K CA -0.322 55.959 56.287 -0.010 0.000 1.048 855 K CB 0.252 32.755 32.500 0.004 0.000 1.011 855 K HN 0.517 nan 8.250 nan 0.000 0.597 856 S N 1.742 117.424 115.700 -0.029 0.000 2.564 856 S HA 0.574 5.045 4.470 0.001 0.000 0.274 856 S C -2.871 171.694 174.600 -0.057 0.000 1.124 856 S CA -1.348 56.833 58.200 -0.033 0.000 0.869 856 S CB 1.710 64.900 63.200 -0.018 0.000 1.105 856 S HN 0.068 nan 8.310 nan 0.000 0.472 857 P HA 0.156 nan 4.420 nan 0.000 0.268 857 P C -1.070 176.178 177.300 -0.086 0.000 1.205 857 P CA -0.232 62.817 63.100 -0.086 0.000 0.771 857 P CB 0.301 31.958 31.700 -0.072 0.000 0.858 858 N N 1.225 119.850 118.700 -0.125 0.000 2.483 858 N HA 0.117 4.858 4.740 0.001 0.000 0.267 858 N C 0.814 176.211 175.510 -0.188 0.000 0.998 858 N CA -0.154 52.828 53.050 -0.113 0.000 0.918 858 N CB 1.303 39.737 38.487 -0.088 0.000 1.215 858 N HN 0.286 nan 8.380 nan 0.000 0.500 859 T N -0.188 114.282 114.554 -0.140 0.000 3.023 859 T HA 0.030 4.380 4.350 0.001 0.000 0.266 859 T C 1.121 175.709 174.700 -0.185 0.000 1.093 859 T CA 0.750 62.741 62.100 -0.181 0.000 1.129 859 T CB 0.080 68.953 68.868 0.008 0.000 0.899 859 T HN 0.477 nan 8.240 nan 0.000 0.491 860 E N 0.702 120.824 120.200 -0.130 0.000 2.472 860 E HA -0.001 4.349 4.350 0.001 0.000 0.200 860 E C 1.427 177.731 176.600 -0.494 0.000 1.046 860 E CA 0.158 56.463 56.400 -0.159 0.000 0.871 860 E CB -0.187 29.509 29.700 -0.007 0.000 0.806 860 E HN 0.450 nan 8.360 nan 0.000 0.533 861 I N 0.089 120.381 120.570 -0.463 0.000 2.567 861 I HA -0.250 3.920 4.170 0.001 0.000 0.257 861 I C 1.460 177.366 176.117 -0.352 0.000 1.184 861 I CA 1.382 62.386 61.300 -0.494 0.000 1.451 861 I CB -1.101 36.700 38.000 -0.332 0.000 1.089 861 I HN 0.268 nan 8.210 nan 0.000 0.441 862 Y N 0.673 120.876 120.300 -0.162 0.000 2.574 862 Y HA -0.164 4.386 4.550 0.001 0.000 0.294 862 Y C 2.539 178.395 175.900 -0.074 0.000 1.142 862 Y CA 0.216 58.270 58.100 -0.077 0.000 1.314 862 Y CB 0.068 38.506 38.460 -0.036 0.000 0.991 862 Y HN 0.236 nan 8.280 nan 0.000 0.555 863 Q N -0.894 118.871 119.800 -0.057 0.000 2.274 863 Q HA -0.052 4.288 4.340 0.001 0.000 0.198 863 Q C 2.042 178.064 176.000 0.036 0.000 0.955 863 Q CA 1.291 57.086 55.803 -0.013 0.000 0.859 863 Q CB -0.455 28.269 28.738 -0.024 0.000 0.956 863 Q HN 0.706 nan 8.270 nan 0.000 0.516 864 H N 0.009 119.152 119.070 0.121 0.000 2.525 864 H HA 0.239 4.796 4.556 0.001 0.000 0.275 864 H C -0.256 175.169 175.328 0.161 0.000 0.984 864 H CA 0.708 56.843 56.048 0.146 0.000 1.264 864 H CB 0.278 30.098 29.762 0.096 0.000 1.432 864 H HN 0.215 nan 8.280 nan 0.000 0.549 865 E N 0.402 120.677 120.200 0.125 0.000 2.637 865 E HA -0.177 4.173 4.350 0.001 0.000 0.265 865 E C -0.411 176.275 176.600 0.143 0.000 1.073 865 E CA 0.219 56.691 56.400 0.121 0.000 0.778 865 E CB -1.474 28.294 29.700 0.114 0.000 1.362 865 E HN 0.494 nan 8.360 nan 0.000 0.413 866 M N 1.178 120.818 119.600 0.068 0.000 2.303 866 M HA 0.079 4.560 4.480 0.001 0.000 0.350 866 M C -2.088 174.195 176.300 -0.029 0.000 1.518 866 M CA -1.154 54.042 55.300 -0.172 0.000 1.070 866 M CB 0.158 32.606 32.600 -0.252 0.000 1.910 866 M HN -0.198 nan 8.290 nan 0.000 0.458 867 P HA -0.013 nan 4.420 nan 0.000 0.265 867 P C 0.621 177.849 177.300 -0.120 0.000 1.187 867 P CA 0.219 63.268 63.100 -0.085 0.000 0.766 867 P CB 0.478 32.158 31.700 -0.034 0.000 0.820 868 G N 2.690 111.272 108.800 -0.363 0.000 2.422 868 G HA2 -0.159 3.801 3.960 0.001 0.000 0.218 868 G HA3 -0.159 3.801 3.960 0.001 0.000 0.218 868 G C 1.497 176.367 174.900 -0.051 0.000 1.140 868 G CA 0.737 45.680 45.100 -0.261 0.000 0.775 868 G HN 0.635 nan 8.290 nan 0.000 0.545 869 G N -0.703 108.031 108.800 -0.110 0.000 2.920 869 G HA2 0.048 4.008 3.960 0.001 0.000 0.208 869 G HA3 0.048 4.008 3.960 0.001 0.000 0.208 869 G C 1.432 176.370 174.900 0.063 0.000 1.159 869 G CA 0.655 45.797 45.100 0.070 0.000 0.784 869 G HN 0.506 nan 8.290 nan 0.000 0.535 870 Q N -1.065 118.769 119.800 0.056 0.000 2.339 870 Q HA 0.042 4.382 4.340 0.001 0.000 0.205 870 Q C 1.795 177.846 176.000 0.085 0.000 0.925 870 Q CA -0.182 55.667 55.803 0.077 0.000 0.898 870 Q CB 0.012 28.795 28.738 0.074 0.000 1.013 870 Q HN 0.507 nan 8.270 nan 0.000 0.504 871 Y N 1.176 121.473 120.300 -0.004 0.000 2.053 871 Y HA -0.311 4.239 4.550 0.001 0.000 0.277 871 Y C 2.631 178.519 175.900 -0.019 0.000 1.159 871 Y CA 2.472 60.582 58.100 0.017 0.000 1.125 871 Y CB -0.226 38.235 38.460 0.002 0.000 0.969 871 Y HN 0.286 nan 8.280 nan 0.000 0.492 872 S N -0.998 114.784 115.700 0.137 0.000 2.461 872 S HA -0.098 4.372 4.470 0.001 0.000 0.228 872 S C 1.503 176.082 174.600 -0.035 0.000 1.005 872 S CA 1.091 59.308 58.200 0.029 0.000 0.942 872 S CB -0.651 62.601 63.200 0.086 0.000 0.776 872 S HN 0.584 nan 8.310 nan 0.000 0.514 873 N N 1.209 119.908 118.700 -0.002 0.000 2.216 873 N HA 0.162 4.903 4.740 0.001 0.000 0.183 873 N C 1.595 177.104 175.510 -0.001 0.000 1.017 873 N CA 1.011 54.063 53.050 0.003 0.000 0.861 873 N CB -0.209 38.303 38.487 0.043 0.000 0.986 873 N HN 0.326 nan 8.380 nan 0.000 0.428 874 L N -0.376 120.844 121.223 -0.004 0.000 2.509 874 L HA 0.186 4.527 4.340 0.001 0.000 0.222 874 L C 1.865 178.750 176.870 0.026 0.000 1.123 874 L CA 0.482 55.350 54.840 0.047 0.000 0.856 874 L CB 0.013 42.128 42.059 0.093 0.000 0.985 874 L HN 0.027 nan 8.230 nan 0.000 0.456 875 S N -0.784 114.762 115.700 -0.256 0.000 2.406 875 S HA -0.158 4.312 4.470 0.001 0.000 0.228 875 S C 1.849 176.308 174.600 -0.236 0.000 1.020 875 S CA 0.995 58.842 58.200 -0.588 0.000 0.965 875 S CB 0.058 62.773 63.200 -0.809 0.000 0.798 875 S HN 0.469 nan 8.310 nan 0.000 0.488 876 Q N 1.119 120.851 119.800 -0.114 0.000 2.137 876 Q HA 0.067 4.407 4.340 0.001 0.000 0.198 876 Q C 2.080 178.085 176.000 0.009 0.000 0.960 876 Q CA 1.308 57.089 55.803 -0.037 0.000 0.847 876 Q CB -0.233 28.494 28.738 -0.019 0.000 0.915 876 Q HN 0.560 nan 8.270 nan 0.000 0.448 877 Q N -1.034 118.784 119.800 0.029 0.000 2.046 877 Q HA -0.132 4.209 4.340 0.001 0.000 0.200 877 Q C 1.851 177.897 176.000 0.077 0.000 0.975 877 Q CA 1.373 57.216 55.803 0.068 0.000 0.836 877 Q CB -0.175 28.610 28.738 0.078 0.000 0.896 877 Q HN 0.440 nan 8.270 nan 0.000 0.428 878 A N 1.372 124.250 122.820 0.097 0.000 1.883 878 A HA -0.247 4.073 4.320 0.001 0.000 0.217 878 A C 2.028 179.660 177.584 0.079 0.000 1.186 878 A CA 1.812 53.923 52.037 0.124 0.000 0.624 878 A CB -0.630 18.526 19.000 0.261 0.000 0.822 878 A HN 0.360 nan 8.150 nan 0.000 0.444 879 K N -0.456 119.966 120.400 0.038 0.000 2.032 879 K HA -0.163 4.157 4.320 0.001 0.000 0.209 879 K C 2.244 178.865 176.600 0.034 0.000 1.048 879 K CA 1.709 58.007 56.287 0.018 0.000 0.927 879 K CB -0.271 32.219 32.500 -0.017 0.000 0.712 879 K HN 0.414 nan 8.250 nan 0.000 0.441 880 S N 0.201 115.929 115.700 0.046 0.000 2.474 880 S HA -0.046 4.425 4.470 0.001 0.000 0.235 880 S C 1.399 176.035 174.600 0.060 0.000 0.997 880 S CA 0.463 58.698 58.200 0.058 0.000 0.949 880 S CB 0.032 63.279 63.200 0.080 0.000 0.766 880 S HN 0.369 nan 8.310 nan 0.000 0.517 881 L N 0.367 121.626 121.223 0.060 0.000 2.769 881 L HA 0.399 4.740 4.340 0.001 0.000 0.240 881 L C 1.238 178.137 176.870 0.048 0.000 1.163 881 L CA 0.667 55.543 54.840 0.060 0.000 0.962 881 L CB 0.195 42.297 42.059 0.071 0.000 1.258 881 L HN 0.422 nan 8.230 nan 0.000 0.513 882 G N -0.376 108.450 108.800 0.042 0.000 2.176 882 G HA2 -0.292 3.668 3.960 0.001 0.000 0.253 882 G HA3 -0.292 3.668 3.960 0.001 0.000 0.253 882 G C 0.606 175.528 174.900 0.036 0.000 0.979 882 G CA 0.405 45.525 45.100 0.033 0.000 0.641 882 G HN 0.286 nan 8.290 nan 0.000 0.530 883 L N 1.414 122.667 121.223 0.049 0.000 2.741 883 L HA 0.404 4.744 4.340 0.001 0.000 0.237 883 L C 1.766 178.685 176.870 0.082 0.000 1.178 883 L CA 0.002 54.879 54.840 0.062 0.000 0.973 883 L CB 0.212 42.315 42.059 0.073 0.000 1.255 883 L HN 0.308 nan 8.230 nan 0.000 0.498 884 G N -0.109 108.724 108.800 0.056 0.000 2.432 884 G HA2 0.144 4.104 3.960 0.001 0.000 0.239 884 G HA3 0.144 4.104 3.960 0.001 0.000 0.239 884 G C 0.626 175.554 174.900 0.047 0.000 1.291 884 G CA 0.386 45.511 45.100 0.041 0.000 0.863 884 G HN 0.492 nan 8.290 nan 0.000 0.560 885 E N 0.436 120.666 120.200 0.051 0.000 4.458 885 E HA -0.279 4.071 4.350 0.001 0.000 0.172 885 E C 1.520 178.171 176.600 0.086 0.000 1.192 885 E CA 1.418 57.852 56.400 0.056 0.000 2.456 885 E CB -1.063 28.659 29.700 0.036 0.000 1.755 885 E HN 0.584 nan 8.360 nan 0.000 0.473 886 R N 0.340 120.887 120.500 0.078 0.000 2.526 886 R HA 0.037 4.378 4.340 0.001 0.000 0.223 886 R C 1.433 177.782 176.300 0.082 0.000 1.250 886 R CA 0.451 56.589 56.100 0.064 0.000 1.227 886 R CB -0.416 29.905 30.300 0.035 0.000 1.109 886 R HN 0.228 nan 8.270 nan 0.000 0.499 887 F N 0.959 120.886 119.950 -0.038 0.000 2.325 887 F HA -0.079 4.449 4.527 0.001 0.000 0.299 887 F C 1.158 176.912 175.800 -0.077 0.000 1.090 887 F CA 1.266 59.224 58.000 -0.071 0.000 1.392 887 F CB 0.269 39.213 39.000 -0.094 0.000 1.053 887 F HN 0.022 nan 8.300 nan 0.000 0.521 888 D N 0.119 120.513 120.400 -0.010 0.000 2.178 888 D HA -0.141 4.499 4.640 0.001 0.000 0.202 888 D C 1.964 178.181 176.300 -0.138 0.000 0.974 888 D CA 1.283 55.239 54.000 -0.073 0.000 0.841 888 D CB -0.168 40.643 40.800 0.019 0.000 0.953 888 D HN 0.409 nan 8.370 nan 0.000 0.478 889 E N -0.254 119.882 120.200 -0.106 0.000 2.208 889 E HA -0.055 4.295 4.350 0.001 0.000 0.193 889 E C 1.891 178.398 176.600 -0.154 0.000 0.988 889 E CA 0.243 56.585 56.400 -0.096 0.000 0.828 889 E CB 0.291 29.960 29.700 -0.050 0.000 0.763 889 E HN 0.101 nan 8.360 nan 0.000 0.478 890 V N 1.349 121.099 119.914 -0.272 0.000 2.667 890 V HA -0.183 3.938 4.120 0.001 0.000 0.252 890 V C 1.901 177.742 176.094 -0.422 0.000 1.065 890 V CA 1.478 63.565 62.300 -0.355 0.000 1.083 890 V CB -0.230 31.282 31.823 -0.520 0.000 0.692 890 V HN 0.173 nan 8.190 nan 0.000 0.468 891 K N -0.550 119.525 120.400 -0.541 0.000 2.211 891 K HA -0.045 4.276 4.320 0.001 0.000 0.201 891 K C 1.747 178.179 176.600 -0.279 0.000 1.052 891 K CA 0.869 56.815 56.287 -0.568 0.000 0.973 891 K CB -0.114 31.877 32.500 -0.849 0.000 0.766 891 K HN 0.353 nan 8.250 nan 0.000 0.466 892 D N 0.911 121.219 120.400 -0.154 0.000 2.144 892 D HA -0.134 4.507 4.640 0.001 0.000 0.199 892 D C 1.652 177.970 176.300 0.030 0.000 0.984 892 D CA 1.177 55.171 54.000 -0.011 0.000 0.834 892 D CB 0.143 40.936 40.800 -0.013 0.000 0.955 892 D HN 0.107 nan 8.370 nan 0.000 0.465 893 M N -1.119 118.482 119.600 0.001 0.000 2.501 893 M HA -0.040 4.440 4.480 0.001 0.000 0.261 893 M C 1.585 177.902 176.300 0.027 0.000 1.129 893 M CA 0.172 55.480 55.300 0.014 0.000 1.126 893 M CB 0.260 32.856 32.600 -0.007 0.000 1.359 893 M HN -0.029 nan 8.290 nan 0.000 0.471 894 Y N 0.981 121.226 120.300 -0.092 0.000 2.315 894 Y HA -0.279 4.271 4.550 0.001 0.000 0.288 894 Y C 2.457 178.343 175.900 -0.024 0.000 1.154 894 Y CA 1.820 59.871 58.100 -0.082 0.000 1.229 894 Y CB -0.108 38.281 38.460 -0.119 0.000 0.980 894 Y HN 0.204 nan 8.280 nan 0.000 0.540 895 R N 0.240 120.885 120.500 0.241 0.000 2.073 895 R HA -0.108 4.232 4.340 0.001 0.000 0.229 895 R C 2.233 178.644 176.300 0.185 0.000 1.120 895 R CA 1.249 57.497 56.100 0.246 0.000 0.967 895 R CB -0.159 30.309 30.300 0.281 0.000 0.862 895 R HN 0.291 nan 8.270 nan 0.000 0.436 896 R N 0.133 120.695 120.500 0.103 0.000 2.062 896 R HA -0.068 4.272 4.340 0.001 0.000 0.231 896 R C 2.380 178.662 176.300 -0.031 0.000 1.136 896 R CA 1.591 57.734 56.100 0.071 0.000 0.948 896 R CB -0.554 29.764 30.300 0.031 0.000 0.845 896 R HN 0.050 nan 8.270 nan 0.000 0.430 897 V N 2.392 122.201 119.914 -0.175 0.000 2.278 897 V HA -0.384 3.736 4.120 0.001 0.000 0.251 897 V C 2.312 178.038 176.094 -0.613 0.000 1.062 897 V CA 2.214 64.231 62.300 -0.472 0.000 1.038 897 V CB -0.865 30.651 31.823 -0.510 0.000 0.646 897 V HN 0.536 nan 8.190 nan 0.000 0.447 898 N N -0.225 118.239 118.700 -0.394 0.000 2.061 898 N HA -0.231 4.510 4.740 0.001 0.000 0.193 898 N C 1.857 177.190 175.510 -0.296 0.000 1.030 898 N CA 2.114 54.951 53.050 -0.355 0.000 0.856 898 N CB -0.219 38.072 38.487 -0.327 0.000 1.023 898 N HN 0.497 nan 8.380 nan 0.000 0.424 899 F N 0.646 120.553 119.950 -0.072 0.000 2.456 899 F HA 0.024 4.551 4.527 0.001 0.000 0.298 899 F C 2.151 177.966 175.800 0.026 0.000 1.104 899 F CA 0.006 58.005 58.000 -0.002 0.000 1.435 899 F CB -0.190 38.813 39.000 0.005 0.000 1.078 899 F HN 0.066 nan 8.300 nan 0.000 0.546 900 L N -0.768 120.516 121.223 0.102 0.000 2.083 900 L HA -0.168 4.172 4.340 0.001 0.000 0.209 900 L C 1.551 178.645 176.870 0.374 0.000 1.083 900 L CA 1.836 56.756 54.840 0.133 0.000 0.752 900 L CB -0.663 41.384 42.059 -0.020 0.000 0.899 900 L HN -0.020 nan 8.230 nan 0.000 0.433 901 F N 0.406 120.452 119.950 0.160 0.000 2.797 901 F HA 0.421 4.948 4.527 0.001 0.000 0.302 901 F C 1.822 177.679 175.800 0.095 0.000 1.130 901 F CA -0.129 57.989 58.000 0.196 0.000 1.387 901 F CB -0.991 38.120 39.000 0.186 0.000 1.107 901 F HN 0.190 nan 8.300 nan 0.000 0.577 902 G N 1.081 110.014 108.800 0.222 0.000 2.207 902 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 902 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 902 G C -0.152 174.756 174.900 0.014 0.000 1.053 902 G CA -0.142 45.026 45.100 0.113 0.000 0.764 902 G HN 0.395 nan 8.290 nan 0.000 0.495 903 D N -1.103 119.226 120.400 -0.117 0.000 3.437 903 D HA -0.148 4.493 4.640 0.001 0.000 0.243 903 D C 0.532 176.809 176.300 -0.039 0.000 1.104 903 D CA 1.718 55.563 54.000 -0.259 0.000 1.009 903 D CB -1.253 39.445 40.800 -0.170 0.000 0.937 903 D HN 1.766 nan 8.370 nan 0.000 0.417 904 I N -2.163 118.363 120.570 -0.075 0.000 2.947 904 I HA 0.718 4.889 4.170 0.001 0.000 0.314 904 I C 0.220 176.275 176.117 -0.103 0.000 1.028 904 I CA -1.246 60.053 61.300 -0.002 0.000 1.077 904 I CB 1.555 39.571 38.000 0.027 0.000 1.274 904 I HN -0.080 nan 8.210 nan 0.000 0.485 905 V N 2.620 122.494 119.914 -0.067 0.000 2.572 905 V HA 0.161 4.281 4.120 0.001 0.000 0.291 905 V C 0.128 176.201 176.094 -0.036 0.000 1.039 905 V CA -0.174 62.070 62.300 -0.093 0.000 1.055 905 V CB 0.236 32.066 31.823 0.012 0.000 0.969 905 V HN 0.637 nan 8.190 nan 0.000 0.482 906 K N 4.720 125.106 120.400 -0.023 0.000 2.473 906 K HA 0.657 4.978 4.320 0.001 0.000 0.246 906 K C -0.956 175.697 176.600 0.089 0.000 1.011 906 K CA -0.302 56.003 56.287 0.030 0.000 0.984 906 K CB 1.489 34.024 32.500 0.058 0.000 1.250 906 K HN 0.560 nan 8.250 nan 0.000 0.454 907 V N -0.859 119.131 119.914 0.127 0.000 3.103 907 V HA 0.402 4.522 4.120 0.001 0.000 0.311 907 V C 0.006 176.244 176.094 0.239 0.000 1.322 907 V CA -1.300 61.114 62.300 0.189 0.000 1.063 907 V CB 1.769 33.763 31.823 0.285 0.000 1.090 907 V HN 0.509 nan 8.190 nan 0.000 0.462 908 T N 3.008 117.759 114.554 0.329 0.000 2.834 908 T HA 0.313 4.664 4.350 0.001 0.000 0.298 908 T C -2.068 172.774 174.700 0.236 0.000 0.966 908 T CA -0.440 61.842 62.100 0.302 0.000 1.141 908 T CB 1.055 70.132 68.868 0.349 0.000 0.905 908 T HN 0.691 nan 8.240 nan 0.000 0.535 909 P HA 0.130 nan 4.420 nan 0.000 0.268 909 P C 1.340 178.682 177.300 0.071 0.000 1.329 909 P CA -0.130 63.074 63.100 0.173 0.000 0.899 909 P CB 0.082 31.904 31.700 0.204 0.000 1.378 910 S N 0.156 115.876 115.700 0.033 0.000 2.399 910 S HA -0.166 4.305 4.470 0.001 0.000 0.231 910 S C 2.015 176.555 174.600 -0.100 0.000 1.022 910 S CA 1.659 59.791 58.200 -0.113 0.000 0.983 910 S CB -1.535 61.604 63.200 -0.100 0.000 0.803 910 S HN 0.292 nan 8.310 nan 0.000 0.480 911 S N 2.640 118.357 115.700 0.029 0.000 2.368 911 S HA -0.126 4.344 4.470 0.001 0.000 0.225 911 S C 1.848 176.508 174.600 0.100 0.000 1.030 911 S CA 1.290 59.552 58.200 0.103 0.000 0.999 911 S CB -0.686 62.633 63.200 0.199 0.000 0.844 911 S HN 0.588 nan 8.310 nan 0.000 0.459 912 K N 1.287 121.738 120.400 0.086 0.000 2.113 912 K HA -0.039 4.281 4.320 0.001 0.000 0.208 912 K C 1.829 178.442 176.600 0.020 0.000 1.047 912 K CA 1.648 57.969 56.287 0.057 0.000 0.928 912 K CB -0.695 31.824 32.500 0.033 0.000 0.716 912 K HN 0.316 nan 8.250 nan 0.000 0.446 913 V N -0.226 119.671 119.914 -0.029 0.000 2.323 913 V HA -0.180 3.941 4.120 0.001 0.000 0.244 913 V C 2.209 178.307 176.094 0.006 0.000 1.041 913 V CA 1.507 63.786 62.300 -0.035 0.000 1.025 913 V CB -0.128 31.582 31.823 -0.187 0.000 0.656 913 V HN 0.173 nan 8.190 nan 0.000 0.451 914 V N 1.072 120.926 119.914 -0.101 0.000 2.332 914 V HA -0.210 3.910 4.120 0.001 0.000 0.248 914 V C 2.642 178.606 176.094 -0.218 0.000 1.055 914 V CA 2.260 64.397 62.300 -0.271 0.000 1.038 914 V CB -1.441 29.989 31.823 -0.656 0.000 0.651 914 V HN 0.615 nan 8.190 nan 0.000 0.450 915 G N -0.520 108.268 108.800 -0.020 0.000 2.418 915 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 915 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 915 G C 1.249 176.220 174.900 0.118 0.000 1.158 915 G CA 1.044 46.250 45.100 0.178 0.000 0.771 915 G HN 0.500 nan 8.290 nan 0.000 0.545 916 D N -0.237 120.219 120.400 0.093 0.000 2.183 916 D HA -0.026 4.615 4.640 0.001 0.000 0.203 916 D C 2.286 178.688 176.300 0.171 0.000 0.969 916 D CA 0.628 54.697 54.000 0.115 0.000 0.842 916 D CB -0.174 40.676 40.800 0.085 0.000 0.957 916 D HN 0.258 nan 8.370 nan 0.000 0.484 917 M N 0.553 120.253 119.600 0.166 0.000 2.254 917 M HA 0.045 4.526 4.480 0.001 0.000 0.265 917 M C 1.753 178.160 176.300 0.179 0.000 1.066 917 M CA 0.915 56.354 55.300 0.232 0.000 1.123 917 M CB -0.123 32.626 32.600 0.248 0.000 1.388 917 M HN -0.034 nan 8.290 nan 0.000 0.425 918 A N -0.189 122.684 122.820 0.088 0.000 1.872 918 A HA -0.041 4.280 4.320 0.001 0.000 0.214 918 A C 2.105 179.737 177.584 0.079 0.000 1.187 918 A CA 1.445 53.519 52.037 0.061 0.000 0.614 918 A CB -0.977 18.061 19.000 0.063 0.000 0.826 918 A HN 0.522 nan 8.150 nan 0.000 0.442 919 L N -2.004 119.284 121.223 0.108 0.000 2.083 919 L HA -0.182 4.158 4.340 0.001 0.000 0.209 919 L C 2.557 179.502 176.870 0.125 0.000 1.083 919 L CA 1.737 56.638 54.840 0.102 0.000 0.752 919 L CB -0.532 41.597 42.059 0.117 0.000 0.899 919 L HN 0.638 nan 8.230 nan 0.000 0.433 920 Y N 0.026 120.363 120.300 0.061 0.000 2.220 920 Y HA -0.215 4.336 4.550 0.001 0.000 0.291 920 Y C 2.507 178.435 175.900 0.046 0.000 1.129 920 Y CA 1.536 59.673 58.100 0.060 0.000 1.161 920 Y CB -0.036 38.484 38.460 0.100 0.000 0.997 920 Y HN 0.021 nan 8.280 nan 0.000 0.522 921 M N -1.101 118.518 119.600 0.031 0.000 2.254 921 M HA -0.162 4.318 4.480 0.001 0.000 0.265 921 M C 1.883 178.127 176.300 -0.094 0.000 1.066 921 M CA 1.147 56.410 55.300 -0.062 0.000 1.123 921 M CB -0.203 32.444 32.600 0.078 0.000 1.388 921 M HN 0.140 nan 8.290 nan 0.000 0.425 922 V N -0.064 119.821 119.914 -0.049 0.000 2.548 922 V HA -0.188 3.932 4.120 0.001 0.000 0.249 922 V C 2.419 178.474 176.094 -0.066 0.000 1.055 922 V CA 1.327 63.598 62.300 -0.047 0.000 1.065 922 V CB -0.635 31.170 31.823 -0.030 0.000 0.681 922 V HN 0.460 nan 8.190 nan 0.000 0.462 923 Q N 0.551 120.298 119.800 -0.088 0.000 2.119 923 Q HA -0.129 4.211 4.340 0.001 0.000 0.201 923 Q C 1.399 177.318 176.000 -0.135 0.000 0.972 923 Q CA 1.529 57.276 55.803 -0.094 0.000 0.847 923 Q CB -0.276 28.411 28.738 -0.085 0.000 0.903 923 Q HN 0.760 nan 8.270 nan 0.000 0.433 924 N N 0.791 119.360 118.700 -0.220 0.000 2.235 924 N HA -0.005 4.736 4.740 0.001 0.000 0.209 924 N C -0.856 174.568 175.510 -0.142 0.000 1.122 924 N CA -0.073 52.848 53.050 -0.216 0.000 0.845 924 N CB 0.475 38.741 38.487 -0.368 0.000 1.004 924 N HN -0.026 nan 8.380 nan 0.000 0.499 925 D N 1.253 121.590 120.400 -0.105 0.000 2.802 925 D HA -0.185 4.455 4.640 0.001 0.000 0.229 925 D C -1.093 175.172 176.300 -0.058 0.000 1.203 925 D CA 0.729 54.690 54.000 -0.065 0.000 0.712 925 D CB -0.761 40.011 40.800 -0.047 0.000 0.973 925 D HN 0.320 nan 8.370 nan 0.000 0.407 926 L N 1.842 123.028 121.223 -0.061 0.000 2.307 926 L HA 0.454 4.795 4.340 0.001 0.000 0.284 926 L C 0.934 177.808 176.870 0.008 0.000 1.023 926 L CA -0.958 53.866 54.840 -0.026 0.000 0.810 926 L CB 1.453 43.493 42.059 -0.031 0.000 1.231 926 L HN 0.148 nan 8.230 nan 0.000 0.423 927 D N 1.112 121.525 120.400 0.022 0.000 2.487 927 D HA 0.175 4.816 4.640 0.001 0.000 0.262 927 D C 0.245 176.577 176.300 0.054 0.000 1.130 927 D CA -0.575 53.443 54.000 0.030 0.000 1.038 927 D CB 1.381 42.193 40.800 0.020 0.000 1.142 927 D HN 0.490 nan 8.370 nan 0.000 0.575 928 E N -0.411 119.819 120.200 0.050 0.000 2.072 928 E HA -0.167 4.183 4.350 0.001 0.000 0.191 928 E C 1.879 178.521 176.600 0.069 0.000 0.985 928 E CA 1.072 57.511 56.400 0.065 0.000 0.801 928 E CB -0.059 29.673 29.700 0.054 0.000 0.750 928 E HN 0.446 nan 8.360 nan 0.000 0.452 929 Q N 0.366 120.196 119.800 0.051 0.000 2.436 929 Q HA 0.013 4.353 4.340 0.001 0.000 0.209 929 Q C 1.022 177.051 176.000 0.048 0.000 0.965 929 Q CA 0.319 56.149 55.803 0.045 0.000 0.910 929 Q CB 0.111 28.867 28.738 0.030 0.000 0.980 929 Q HN -0.007 nan 8.270 nan 0.000 0.491 930 S N 0.250 115.984 115.700 0.056 0.000 3.456 930 S HA 0.196 4.667 4.470 0.001 0.000 0.229 930 S C 0.383 175.040 174.600 0.094 0.000 1.416 930 S CA -0.174 58.062 58.200 0.060 0.000 1.197 930 S CB -0.043 63.187 63.200 0.050 0.000 1.201 930 S HN 0.177 nan 8.310 nan 0.000 0.479 931 V N 1.019 120.989 119.914 0.093 0.000 3.943 931 V HA 0.102 4.223 4.120 0.001 0.000 0.279 931 V C 1.219 177.370 176.094 0.094 0.000 1.780 931 V CA -0.003 62.369 62.300 0.119 0.000 1.248 931 V CB -0.305 31.609 31.823 0.151 0.000 0.998 931 V HN 0.557 nan 8.190 nan 0.000 0.350 932 I N 1.038 121.650 120.570 0.069 0.000 2.264 932 I HA -0.191 3.980 4.170 0.001 0.000 0.248 932 I C 1.581 177.722 176.117 0.041 0.000 1.111 932 I CA 2.430 63.762 61.300 0.053 0.000 1.382 932 I CB -0.199 37.823 38.000 0.038 0.000 1.060 932 I HN 0.361 nan 8.210 nan 0.000 0.418 933 T N -2.092 112.473 114.554 0.019 0.000 3.186 933 T HA 0.103 4.454 4.350 0.001 0.000 0.292 933 T C 0.506 175.166 174.700 -0.066 0.000 0.915 933 T CA -0.269 61.805 62.100 -0.043 0.000 0.902 933 T CB 0.321 69.145 68.868 -0.074 0.000 1.192 933 T HN 0.247 nan 8.240 nan 0.000 0.563 934 D N 0.957 121.372 120.400 0.024 0.000 2.431 934 D HA 0.166 4.806 4.640 0.001 0.000 0.213 934 D C 1.852 178.231 176.300 0.131 0.000 1.130 934 D CA 0.054 54.080 54.000 0.043 0.000 0.834 934 D CB 0.448 41.269 40.800 0.034 0.000 0.985 934 D HN 0.411 nan 8.370 nan 0.000 0.504 935 G N 0.356 109.278 108.800 0.203 0.000 2.534 935 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 935 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 935 G C 1.225 176.305 174.900 0.299 0.000 1.128 935 G CA 0.008 45.264 45.100 0.259 0.000 0.784 935 G HN 0.270 nan 8.290 nan 0.000 0.542 936 Y N 0.482 120.815 120.300 0.055 0.000 2.425 936 Y HA -0.126 4.424 4.550 0.001 0.000 0.285 936 Y C 0.682 176.607 175.900 0.042 0.000 1.170 936 Y CA 0.686 58.809 58.100 0.038 0.000 1.304 936 Y CB 0.129 38.600 38.460 0.019 0.000 0.972 936 Y HN 0.116 nan 8.280 nan 0.000 0.558 937 K N -1.090 119.419 120.400 0.181 0.000 2.498 937 K HA 0.505 4.826 4.320 0.001 0.000 0.254 937 K C -0.596 176.021 176.600 0.029 0.000 0.933 937 K CA -0.446 55.891 56.287 0.084 0.000 0.806 937 K CB 2.701 35.235 32.500 0.058 0.000 1.301 937 K HN -0.132 nan 8.250 nan 0.000 0.432 938 L N -0.180 120.981 121.223 -0.103 0.000 1.645 938 L HA 0.154 4.495 4.340 0.001 0.000 0.177 938 L C -1.054 175.585 176.870 -0.385 0.000 1.266 938 L CA 0.055 54.718 54.840 -0.295 0.000 1.244 938 L CB 0.757 42.503 42.059 -0.521 0.000 2.568 938 L HN 0.891 nan 8.230 nan 0.000 0.502 939 D N 0.838 120.902 120.400 -0.560 0.000 4.147 939 D HA -0.107 4.533 4.640 0.001 0.000 0.239 939 D C -1.029 174.976 176.300 -0.492 0.000 1.075 939 D CA 0.399 54.208 54.000 -0.320 0.000 1.089 939 D CB -0.851 39.881 40.800 -0.113 0.000 0.799 939 D HN -0.035 nan 8.370 nan 0.000 0.371 940 F N 2.163 121.964 119.950 -0.248 0.000 2.403 940 F HA 0.523 5.051 4.527 0.001 0.000 0.326 940 F C -1.019 174.580 175.800 -0.334 0.000 1.081 940 F CA -1.349 56.356 58.000 -0.491 0.000 1.041 940 F CB 0.290 39.104 39.000 -0.311 0.000 1.234 940 F HN -0.003 nan 8.300 nan 0.000 0.503 941 P HA -0.006 nan 4.420 nan 0.000 0.268 941 P C 0.474 177.788 177.300 0.024 0.000 1.205 941 P CA -0.011 63.068 63.100 -0.036 0.000 0.771 941 P CB 0.951 32.649 31.700 -0.003 0.000 0.858 942 E N 1.912 122.128 120.200 0.025 0.000 2.114 942 E HA -0.191 4.160 4.350 0.001 0.000 0.199 942 E C 1.777 178.399 176.600 0.037 0.000 1.008 942 E CA 2.156 58.573 56.400 0.029 0.000 0.810 942 E CB -0.374 29.340 29.700 0.023 0.000 0.739 942 E HN 0.586 nan 8.360 nan 0.000 0.456 943 S N -0.513 115.212 115.700 0.041 0.000 2.402 943 S HA -0.078 4.392 4.470 0.001 0.000 0.229 943 S C 2.223 176.878 174.600 0.091 0.000 1.021 943 S CA 1.183 59.415 58.200 0.053 0.000 0.974 943 S CB -0.332 62.886 63.200 0.031 0.000 0.800 943 S HN 0.113 nan 8.310 nan 0.000 0.484 944 V N 2.124 122.099 119.914 0.101 0.000 2.591 944 V HA -0.064 4.056 4.120 0.001 0.000 0.249 944 V C 2.576 178.768 176.094 0.163 0.000 1.053 944 V CA 1.414 63.810 62.300 0.160 0.000 1.068 944 V CB -0.008 31.917 31.823 0.170 0.000 0.689 944 V HN 0.629 nan 8.190 nan 0.000 0.462 945 V N -2.790 117.163 119.914 0.064 0.000 2.407 945 V HA -0.113 4.007 4.120 0.001 0.000 0.245 945 V C 2.456 178.565 176.094 0.024 0.000 1.041 945 V CA 2.000 64.303 62.300 0.006 0.000 1.040 945 V CB -1.153 30.659 31.823 -0.018 0.000 0.671 945 V HN 0.458 nan 8.190 nan 0.000 0.455 946 S N 0.223 115.949 115.700 0.043 0.000 2.402 946 S HA -0.248 4.222 4.470 0.001 0.000 0.233 946 S C 1.788 176.418 174.600 0.050 0.000 1.030 946 S CA 2.178 60.399 58.200 0.036 0.000 1.003 946 S CB -0.719 62.509 63.200 0.046 0.000 0.813 946 S HN 0.750 nan 8.310 nan 0.000 0.477 947 F N 0.203 120.094 119.950 -0.098 0.000 2.206 947 F HA 0.065 4.592 4.527 0.001 0.000 0.298 947 F C 1.444 177.010 175.800 -0.390 0.000 1.090 947 F CA 1.220 59.102 58.000 -0.197 0.000 1.323 947 F CB -0.165 38.673 39.000 -0.268 0.000 1.028 947 F HN 0.240 nan 8.300 nan 0.000 0.492 948 F N 0.715 120.305 119.950 -0.600 0.000 2.661 948 F HA 0.047 4.575 4.527 0.001 0.000 0.298 948 F C 2.218 177.569 175.800 -0.749 0.000 1.137 948 F CA 0.692 58.076 58.000 -1.027 0.000 1.454 948 F CB -0.348 38.175 39.000 -0.794 0.000 1.103 948 F HN -0.111 nan 8.300 nan 0.000 0.577 949 K N 0.309 120.541 120.400 -0.280 0.000 2.305 949 K HA 0.092 4.412 4.320 0.001 0.000 0.199 949 K C 1.321 177.827 176.600 -0.157 0.000 1.047 949 K CA 0.965 57.138 56.287 -0.191 0.000 0.976 949 K CB -0.086 32.356 32.500 -0.096 0.000 0.765 949 K HN 0.289 nan 8.250 nan 0.000 0.474 950 G N 1.510 110.204 108.800 -0.177 0.000 2.132 950 G HA2 -0.220 3.741 3.960 0.001 0.000 0.228 950 G HA3 -0.220 3.741 3.960 0.001 0.000 0.228 950 G C 0.138 175.082 174.900 0.073 0.000 1.000 950 G CA 0.380 45.462 45.100 -0.030 0.000 0.693 950 G HN 0.508 nan 8.290 nan 0.000 0.515 951 E N -0.914 119.320 120.200 0.056 0.000 2.418 951 E HA 0.182 4.533 4.350 0.001 0.000 0.197 951 E C 1.966 178.611 176.600 0.075 0.000 1.026 951 E CA 0.476 56.916 56.400 0.067 0.000 0.862 951 E CB 0.145 29.864 29.700 0.032 0.000 0.799 951 E HN 0.679 nan 8.360 nan 0.000 0.518 952 I N -0.429 120.221 120.570 0.134 0.000 4.082 952 I HA 0.182 4.352 4.170 0.001 0.000 0.337 952 I C 0.704 176.948 176.117 0.211 0.000 1.352 952 I CA -0.024 61.375 61.300 0.166 0.000 1.097 952 I CB 1.024 39.157 38.000 0.223 0.000 1.048 952 I HN 0.084 nan 8.210 nan 0.000 0.393 953 G N 0.744 109.678 108.800 0.222 0.000 2.483 953 G HA2 -0.090 3.870 3.960 0.001 0.000 0.521 953 G HA3 -0.090 3.870 3.960 0.001 0.000 0.521 953 G C -1.131 173.837 174.900 0.113 0.000 1.278 953 G CA -0.875 44.407 45.100 0.303 0.000 0.965 953 G HN -0.005 nan 8.290 nan 0.000 0.504 954 Q N 0.847 120.557 119.800 -0.150 0.000 2.333 954 Q HA 0.493 4.833 4.340 0.001 0.000 0.268 954 Q C -2.370 173.322 176.000 -0.513 0.000 1.007 954 Q CA -1.654 53.863 55.803 -0.476 0.000 0.810 954 Q CB 2.227 30.488 28.738 -0.795 0.000 1.264 954 Q HN 0.528 nan 8.270 nan 0.000 0.452 955 P HA 0.057 nan 4.420 nan 0.000 0.276 955 P C 1.028 178.100 177.300 -0.381 0.000 1.230 955 P CA -0.255 62.638 63.100 -0.346 0.000 0.776 955 P CB 1.043 32.532 31.700 -0.351 0.000 0.888 956 V N 3.172 122.942 119.914 -0.240 0.000 2.280 956 V HA -0.321 3.799 4.120 0.001 0.000 0.258 956 V C 1.489 177.437 176.094 -0.244 0.000 1.081 956 V CA 2.508 64.680 62.300 -0.213 0.000 1.070 956 V CB -1.595 30.161 31.823 -0.112 0.000 0.666 956 V HN 0.618 nan 8.190 nan 0.000 0.450 957 N N -0.406 118.147 118.700 -0.246 0.000 2.313 957 N HA 0.400 5.140 4.740 0.001 0.000 0.207 957 N C 0.911 176.260 175.510 -0.269 0.000 1.141 957 N CA 0.544 53.462 53.050 -0.219 0.000 0.830 957 N CB 0.700 39.084 38.487 -0.171 0.000 1.008 957 N HN 0.654 nan 8.380 nan 0.000 0.481 958 G N 0.580 109.127 108.800 -0.423 0.000 2.574 958 G HA2 -0.326 3.634 3.960 0.001 0.000 0.282 958 G HA3 -0.326 3.634 3.960 0.001 0.000 0.282 958 G C -0.377 174.044 174.900 -0.799 0.000 1.257 958 G CA 0.141 44.880 45.100 -0.603 0.000 0.956 958 G HN 0.216 nan 8.290 nan 0.000 0.560 959 F N -0.359 119.511 119.950 -0.134 0.000 2.654 959 F HA 0.626 5.153 4.527 0.001 0.000 0.334 959 F C 0.121 175.927 175.800 0.011 0.000 1.078 959 F CA -1.129 56.838 58.000 -0.055 0.000 0.986 959 F CB 1.171 40.133 39.000 -0.062 0.000 1.362 959 F HN 0.392 nan 8.300 nan 0.000 0.498 960 N N 0.792 119.659 118.700 0.278 0.000 2.422 960 N HA 0.206 4.946 4.740 0.001 0.000 0.264 960 N C 0.713 176.298 175.510 0.125 0.000 1.063 960 N CA -0.504 52.642 53.050 0.161 0.000 0.959 960 N CB 1.487 40.059 38.487 0.141 0.000 1.087 960 N HN 0.599 nan 8.380 nan 0.000 0.483 961 K N 1.789 122.234 120.400 0.075 0.000 2.032 961 K HA -0.272 4.048 4.320 0.001 0.000 0.218 961 K C 0.132 176.731 176.600 -0.002 0.000 1.054 961 K CA 2.155 58.459 56.287 0.028 0.000 0.941 961 K CB 0.021 32.530 32.500 0.016 0.000 0.720 961 K HN 0.556 nan 8.250 nan 0.000 0.449 962 D N 0.530 120.940 120.400 0.015 0.000 2.178 962 D HA -0.162 4.478 4.640 0.001 0.000 0.202 962 D C 1.809 178.106 176.300 -0.006 0.000 0.974 962 D CA 0.687 54.694 54.000 0.012 0.000 0.841 962 D CB -0.144 40.679 40.800 0.037 0.000 0.953 962 D HN 0.159 nan 8.370 nan 0.000 0.478 963 L N 0.260 121.491 121.223 0.013 0.000 2.046 963 L HA -0.202 4.139 4.340 0.001 0.000 0.208 963 L C 2.232 178.976 176.870 -0.211 0.000 1.077 963 L CA 1.688 56.525 54.840 -0.006 0.000 0.747 963 L CB -0.328 41.806 42.059 0.124 0.000 0.896 963 L HN 0.025 nan 8.230 nan 0.000 0.432 964 Q N -0.910 118.763 119.800 -0.212 0.000 2.008 964 Q HA -0.165 4.175 4.340 0.001 0.000 0.196 964 Q C 2.223 177.964 176.000 -0.432 0.000 0.973 964 Q CA 1.440 56.966 55.803 -0.462 0.000 0.826 964 Q CB -0.287 28.349 28.738 -0.171 0.000 0.894 964 Q HN 0.571 nan 8.270 nan 0.000 0.439 965 A N 0.995 123.667 122.820 -0.246 0.000 1.896 965 A HA -0.259 4.061 4.320 0.001 0.000 0.220 965 A C 2.206 179.639 177.584 -0.251 0.000 1.206 965 A CA 2.635 54.542 52.037 -0.216 0.000 0.647 965 A CB -1.679 17.234 19.000 -0.145 0.000 0.828 965 A HN 0.604 nan 8.150 nan 0.000 0.455 966 V N -2.240 117.546 119.914 -0.213 0.000 3.140 966 V HA -0.151 3.970 4.120 0.001 0.000 0.269 966 V C 1.814 177.818 176.094 -0.151 0.000 1.149 966 V CA 2.058 64.263 62.300 -0.158 0.000 1.162 966 V CB -1.052 30.782 31.823 0.020 0.000 0.756 966 V HN 0.550 nan 8.190 nan 0.000 0.523 967 I N -0.517 119.847 120.570 -0.343 0.000 3.790 967 I HA 0.146 4.317 4.170 0.001 0.000 0.305 967 I C 1.840 177.772 176.117 -0.308 0.000 1.253 967 I CA 0.634 61.626 61.300 -0.514 0.000 1.355 967 I CB 0.213 37.588 38.000 -1.042 0.000 1.137 967 I HN 0.416 nan 8.210 nan 0.000 0.435 968 L N -2.154 118.905 121.223 -0.273 0.000 2.701 968 L HA 0.399 4.740 4.340 0.001 0.000 0.238 968 L C 0.577 177.363 176.870 -0.140 0.000 1.106 968 L CA -0.084 54.643 54.840 -0.189 0.000 0.898 968 L CB -0.774 41.161 42.059 -0.207 0.000 1.188 968 L HN -0.260 nan 8.230 nan 0.000 0.508 969 K N 2.607 122.914 120.400 -0.155 0.000 2.513 969 K HA 0.320 4.641 4.320 0.001 0.000 0.275 969 K C 1.028 177.566 176.600 -0.104 0.000 1.025 969 K CA 1.159 57.358 56.287 -0.146 0.000 1.125 969 K CB -0.320 32.063 32.500 -0.196 0.000 0.843 969 K HN 0.583 nan 8.250 nan 0.000 0.486 970 G N 2.527 111.270 108.800 -0.095 0.000 1.649 970 G HA2 -0.185 3.776 3.960 0.001 0.000 0.099 970 G HA3 -0.185 3.776 3.960 0.001 0.000 0.099 970 G C -0.817 174.040 174.900 -0.072 0.000 1.449 970 G CA -0.067 44.990 45.100 -0.072 0.000 1.238 970 G HN 0.540 nan 8.290 nan 0.000 0.398 971 Q N 1.432 121.189 119.800 -0.072 0.000 2.162 971 Q HA 0.764 5.104 4.340 0.001 0.000 0.197 971 Q C 0.122 176.064 176.000 -0.095 0.000 1.013 971 Q CA 0.054 55.810 55.803 -0.078 0.000 1.040 971 Q CB 0.591 29.285 28.738 -0.073 0.000 1.114 971 Q HN 0.851 nan 8.270 nan 0.000 0.547 972 E N -0.891 119.248 120.200 -0.102 0.000 2.350 972 E HA 0.737 5.087 4.350 0.001 0.000 0.243 972 E C -1.371 175.153 176.600 -0.126 0.000 0.959 972 E CA -1.076 55.254 56.400 -0.118 0.000 0.883 972 E CB -0.071 29.562 29.700 -0.111 0.000 1.820 972 E HN 0.685 nan 8.360 nan 0.000 0.441 973 A N 0.655 123.393 122.820 -0.136 0.000 2.477 973 A HA 0.473 4.794 4.320 0.001 0.000 0.246 973 A C -0.406 177.116 177.584 -0.104 0.000 1.078 973 A CA -0.230 51.723 52.037 -0.141 0.000 0.770 973 A CB -0.342 18.566 19.000 -0.153 0.000 1.011 973 A HN 0.422 nan 8.150 nan 0.000 0.494 974 L N 2.236 123.408 121.223 -0.084 0.000 2.307 974 L HA 0.357 4.697 4.340 0.001 0.000 0.284 974 L C 1.318 178.206 176.870 0.030 0.000 1.023 974 L CA -0.433 54.370 54.840 -0.062 0.000 0.810 974 L CB 1.740 43.730 42.059 -0.116 0.000 1.231 974 L HN 0.901 nan 8.230 nan 0.000 0.423 975 T N 1.190 115.773 114.554 0.048 0.000 3.044 975 T HA 0.209 4.559 4.350 0.001 0.000 0.255 975 T C 0.750 175.553 174.700 0.172 0.000 1.073 975 T CA 0.484 62.632 62.100 0.080 0.000 1.125 975 T CB 0.210 69.106 68.868 0.046 0.000 0.908 975 T HN 0.656 nan 8.240 nan 0.000 0.480 976 A N 1.607 124.572 122.820 0.243 0.000 2.271 976 A HA 0.643 4.963 4.320 0.001 0.000 0.288 976 A C -0.028 177.766 177.584 0.350 0.000 1.094 976 A CA -0.828 51.393 52.037 0.308 0.000 0.828 976 A CB 0.316 19.493 19.000 0.294 0.000 1.091 976 A HN 0.632 nan 8.150 nan 0.000 0.493 977 R N 1.434 122.098 120.500 0.272 0.000 2.404 977 R HA 0.295 4.636 4.340 0.001 0.000 0.315 977 R C -2.566 173.675 176.300 -0.098 0.000 1.032 977 R CA -0.703 55.458 56.100 0.101 0.000 0.992 977 R CB -0.680 29.495 30.300 -0.209 0.000 0.959 977 R HN 0.360 nan 8.270 nan 0.000 0.428 978 P HA -0.219 nan 4.420 nan 0.000 0.218 978 P C 1.250 178.106 177.300 -0.740 0.000 1.150 978 P CA 2.087 64.807 63.100 -0.633 0.000 0.841 978 P CB 0.002 31.540 31.700 -0.269 0.000 0.784 979 G N 0.618 109.205 108.800 -0.355 0.000 2.475 979 G HA2 -0.288 3.673 3.960 0.001 0.000 0.220 979 G HA3 -0.288 3.673 3.960 0.001 0.000 0.220 979 G C 1.320 176.083 174.900 -0.227 0.000 1.125 979 G CA 0.985 45.940 45.100 -0.241 0.000 0.755 979 G HN 0.473 nan 8.290 nan 0.000 0.565 980 E N -0.275 119.786 120.200 -0.233 0.000 2.442 980 E HA 0.011 4.361 4.350 0.001 0.000 0.195 980 E C 1.889 178.471 176.600 -0.029 0.000 1.030 980 E CA 0.626 56.965 56.400 -0.101 0.000 0.869 980 E CB -0.272 29.407 29.700 -0.034 0.000 0.857 980 E HN 0.716 nan 8.360 nan 0.000 0.505 981 Y N 0.349 120.649 120.300 -0.001 0.000 2.500 981 Y HA 0.357 4.907 4.550 0.001 0.000 0.284 981 Y C 0.962 176.855 175.900 -0.011 0.000 1.118 981 Y CA -0.783 57.315 58.100 -0.005 0.000 1.241 981 Y CB -0.327 38.131 38.460 -0.003 0.000 1.171 981 Y HN -0.230 nan 8.280 nan 0.000 0.540 982 L N 4.252 125.377 121.223 -0.162 0.000 2.559 982 L HA 0.000 4.340 4.340 0.001 0.000 0.274 982 L C 0.441 177.294 176.870 -0.027 0.000 1.205 982 L CA 0.226 55.037 54.840 -0.049 0.000 0.907 982 L CB 0.218 42.181 42.059 -0.161 0.000 1.153 982 L HN 0.404 nan 8.230 nan 0.000 0.490 983 E N 6.198 126.401 120.200 0.004 0.000 2.354 983 E HA 0.263 4.613 4.350 0.001 0.000 0.269 983 E C -2.367 174.203 176.600 -0.050 0.000 1.036 983 E CA -1.939 54.452 56.400 -0.016 0.000 0.876 983 E CB 0.200 29.895 29.700 -0.008 0.000 1.009 983 E HN 0.288 nan 8.360 nan 0.000 0.416 984 P HA -0.065 nan 4.420 nan 0.000 0.263 984 P C -0.258 176.928 177.300 -0.191 0.000 1.195 984 P CA -0.145 62.887 63.100 -0.114 0.000 0.762 984 P CB 0.591 32.232 31.700 -0.098 0.000 0.799 985 V N 4.029 123.764 119.914 -0.299 0.000 2.655 985 V HA -0.042 4.079 4.120 0.001 0.000 0.300 985 V C 1.158 176.883 176.094 -0.615 0.000 1.044 985 V CA 0.380 62.438 62.300 -0.404 0.000 1.095 985 V CB 0.202 31.784 31.823 -0.401 0.000 0.952 985 V HN 0.587 nan 8.190 nan 0.000 0.485 986 D N 4.177 124.370 120.400 -0.344 0.000 2.374 986 D HA 0.131 4.771 4.640 0.001 0.000 0.240 986 D C 0.740 176.936 176.300 -0.174 0.000 1.229 986 D CA 0.046 53.900 54.000 -0.242 0.000 0.895 986 D CB 0.407 41.150 40.800 -0.094 0.000 1.046 986 D HN 0.492 nan 8.370 nan 0.000 0.498 987 F N 1.454 121.421 119.950 0.027 0.000 2.407 987 F HA -0.058 4.469 4.527 0.001 0.000 0.299 987 F C 2.338 178.149 175.800 0.018 0.000 1.097 987 F CA 0.096 58.113 58.000 0.028 0.000 1.422 987 F CB 0.390 39.403 39.000 0.021 0.000 1.067 987 F HN 0.307 nan 8.300 nan 0.000 0.539 988 E N 0.889 121.182 120.200 0.155 0.000 2.046 988 E HA -0.141 4.209 4.350 0.001 0.000 0.190 988 E C 2.013 178.650 176.600 0.062 0.000 0.982 988 E CA 0.895 57.349 56.400 0.091 0.000 0.800 988 E CB -0.235 29.500 29.700 0.058 0.000 0.756 988 E HN 0.438 nan 8.360 nan 0.000 0.449 989 K N 0.573 121.001 120.400 0.047 0.000 2.147 989 K HA -0.072 4.249 4.320 0.001 0.000 0.205 989 K C 2.210 178.838 176.600 0.047 0.000 1.049 989 K CA 0.806 57.115 56.287 0.036 0.000 0.936 989 K CB 0.017 32.532 32.500 0.025 0.000 0.722 989 K HN -0.049 nan 8.250 nan 0.000 0.446 990 V N 1.178 121.143 119.914 0.085 0.000 2.379 990 V HA -0.226 3.895 4.120 0.001 0.000 0.245 990 V C 2.349 178.458 176.094 0.026 0.000 1.044 990 V CA 1.702 64.058 62.300 0.093 0.000 1.036 990 V CB -0.441 31.516 31.823 0.223 0.000 0.664 990 V HN 0.272 nan 8.190 nan 0.000 0.453 991 R N 1.011 121.545 120.500 0.057 0.000 2.115 991 R HA -0.240 4.100 4.340 0.001 0.000 0.239 991 R C 2.147 178.446 176.300 -0.001 0.000 1.133 991 R CA 2.414 58.528 56.100 0.024 0.000 0.935 991 R CB -0.633 29.690 30.300 0.038 0.000 0.853 991 R HN 0.605 nan 8.270 nan 0.000 0.433 992 E N -0.250 119.954 120.200 0.006 0.000 2.085 992 E HA -0.223 4.128 4.350 0.001 0.000 0.194 992 E C 1.943 178.531 176.600 -0.021 0.000 0.994 992 E CA 1.447 57.845 56.400 -0.003 0.000 0.801 992 E CB -0.271 29.431 29.700 0.005 0.000 0.743 992 E HN 0.263 nan 8.360 nan 0.000 0.453 993 L N 0.888 122.088 121.223 -0.038 0.000 2.046 993 L HA -0.163 4.178 4.340 0.001 0.000 0.208 993 L C 2.041 178.853 176.870 -0.096 0.000 1.077 993 L CA 1.586 56.385 54.840 -0.068 0.000 0.747 993 L CB -0.264 41.737 42.059 -0.096 0.000 0.896 993 L HN 0.097 nan 8.230 nan 0.000 0.432 994 L N -0.912 120.239 121.223 -0.120 0.000 2.156 994 L HA -0.081 4.259 4.340 0.001 0.000 0.208 994 L C 2.418 179.272 176.870 -0.026 0.000 1.095 994 L CA 0.663 55.453 54.840 -0.084 0.000 0.770 994 L CB -0.733 41.278 42.059 -0.079 0.000 0.914 994 L HN 0.276 nan 8.230 nan 0.000 0.439 995 E N 0.114 120.301 120.200 -0.021 0.000 2.265 995 E HA -0.179 4.171 4.350 0.001 0.000 0.196 995 E C 1.804 178.398 176.600 -0.010 0.000 0.996 995 E CA 0.741 57.136 56.400 -0.008 0.000 0.832 995 E CB 0.105 29.802 29.700 -0.005 0.000 0.756 995 E HN 0.483 nan 8.360 nan 0.000 0.491 996 E N 0.966 121.156 120.200 -0.017 0.000 2.057 996 E HA -0.068 4.283 4.350 0.001 0.000 0.190 996 E C 1.970 178.561 176.600 -0.014 0.000 0.969 996 E CA 0.507 56.898 56.400 -0.014 0.000 0.812 996 E CB 0.101 29.792 29.700 -0.015 0.000 0.777 996 E HN 0.331 nan 8.360 nan 0.000 0.455 997 E N 1.001 121.190 120.200 -0.018 0.000 2.017 997 E HA -0.152 4.199 4.350 0.001 0.000 0.193 997 E C 0.650 177.243 176.600 -0.013 0.000 0.997 997 E CA 0.859 57.250 56.400 -0.014 0.000 0.804 997 E CB -0.059 29.633 29.700 -0.015 0.000 0.757 997 E HN 0.243 nan 8.360 nan 0.000 0.448 998 Q N 0.623 120.419 119.800 -0.007 0.000 2.306 998 Q HA 0.218 4.559 4.340 0.001 0.000 0.241 998 Q C -0.394 175.604 176.000 -0.004 0.000 0.948 998 Q CA 0.078 55.879 55.803 -0.004 0.000 0.886 998 Q CB 0.963 29.709 28.738 0.013 0.000 1.227 998 Q HN 0.088 nan 8.270 nan 0.000 0.457 999 Q N 0.594 120.391 119.800 -0.005 0.000 2.851 999 Q HA 0.442 4.783 4.340 0.001 0.000 0.331 999 Q C -0.523 175.476 176.000 -0.001 0.000 0.979 999 Q CA -0.396 55.404 55.803 -0.004 0.000 0.955 999 Q CB 1.174 29.907 28.738 -0.008 0.000 1.298 999 Q HN 0.845 nan 8.270 nan 0.000 0.432 1000 G N 1.059 109.862 108.800 0.004 0.000 2.485 1000 G HA2 0.222 4.183 3.960 0.001 0.000 0.182 1000 G HA3 0.222 4.183 3.960 0.001 0.000 0.182 1000 G C -2.944 171.962 174.900 0.010 0.000 1.172 1000 G CA -0.603 44.501 45.100 0.006 0.000 0.996 1000 G HN 0.188 nan 8.290 nan 0.000 0.496 1001 P HA 0.603 nan 4.420 nan 0.000 0.282 1001 P C -0.969 176.344 177.300 0.022 0.000 1.262 1001 P CA -0.192 62.916 63.100 0.012 0.000 0.773 1001 P CB 1.815 33.520 31.700 0.010 0.000 0.879 1002 V N 3.500 123.424 119.914 0.017 0.000 2.656 1002 V HA 0.427 4.547 4.120 0.001 0.000 0.307 1002 V C 0.717 176.812 176.094 0.001 0.000 1.051 1002 V CA -0.355 61.960 62.300 0.026 0.000 0.893 1002 V CB 2.216 34.056 31.823 0.027 0.000 0.999 1002 V HN 0.771 nan 8.190 nan 0.000 0.426 1003 T N 0.606 115.156 114.554 -0.007 0.000 2.923 1003 T HA 0.407 4.757 4.350 0.001 0.000 0.281 1003 T C 0.866 175.510 174.700 -0.094 0.000 0.995 1003 T CA -0.612 61.455 62.100 -0.056 0.000 0.985 1003 T CB 1.397 70.219 68.868 -0.078 0.000 1.114 1003 T HN 0.564 nan 8.240 nan 0.000 0.548 1004 E N 0.424 120.540 120.200 -0.139 0.000 2.110 1004 E HA -0.171 4.180 4.350 0.001 0.000 0.193 1004 E C 2.155 178.614 176.600 -0.235 0.000 0.988 1004 E CA 1.288 57.583 56.400 -0.176 0.000 0.804 1004 E CB -0.328 29.261 29.700 -0.185 0.000 0.745 1004 E HN 0.728 nan 8.360 nan 0.000 0.458 1005 Q N 0.805 120.371 119.800 -0.389 0.000 2.061 1005 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 1005 Q C 1.934 177.797 176.000 -0.229 0.000 0.984 1005 Q CA 1.390 56.773 55.803 -0.700 0.000 0.846 1005 Q CB -0.111 27.901 28.738 -1.208 0.000 0.902 1005 Q HN 0.282 nan 8.270 nan 0.000 0.421 1006 D N 0.637 120.978 120.400 -0.098 0.000 2.133 1006 D HA -0.191 4.450 4.640 0.001 0.000 0.192 1006 D C 1.931 178.149 176.300 -0.137 0.000 1.001 1006 D CA 1.234 55.228 54.000 -0.009 0.000 0.844 1006 D CB -0.211 40.629 40.800 0.067 0.000 0.944 1006 D HN 0.257 nan 8.370 nan 0.000 0.447 1007 I N 0.839 121.367 120.570 -0.070 0.000 2.090 1007 I HA -0.273 3.897 4.170 0.001 0.000 0.236 1007 I C 2.370 178.524 176.117 0.061 0.000 1.064 1007 I CA 0.975 62.269 61.300 -0.010 0.000 1.324 1007 I CB -0.324 37.665 38.000 -0.017 0.000 1.044 1007 I HN -0.001 nan 8.210 nan 0.000 0.399 1008 I N -0.890 119.708 120.570 0.046 0.000 2.394 1008 I HA -0.148 4.022 4.170 0.001 0.000 0.251 1008 I C 2.422 178.646 176.117 0.180 0.000 1.136 1008 I CA 1.139 62.509 61.300 0.117 0.000 1.425 1008 I CB -1.286 36.800 38.000 0.145 0.000 1.079 1008 I HN -0.008 nan 8.210 nan 0.000 0.425 1009 S N 0.430 116.329 115.700 0.331 0.000 2.359 1009 S HA -0.271 4.200 4.470 0.001 0.000 0.223 1009 S C 2.036 176.698 174.600 0.103 0.000 1.039 1009 S CA 2.084 60.560 58.200 0.461 0.000 1.042 1009 S CB -0.784 62.747 63.200 0.551 0.000 0.915 1009 S HN 0.691 nan 8.310 nan 0.000 0.439 1010 Y N 2.102 122.187 120.300 -0.358 0.000 2.242 1010 Y HA -0.085 4.466 4.550 0.001 0.000 0.291 1010 Y C 2.086 177.968 175.900 -0.029 0.000 1.137 1010 Y CA 0.873 58.788 58.100 -0.308 0.000 1.181 1010 Y CB -0.349 37.848 38.460 -0.438 0.000 0.989 1010 Y HN 0.037 nan 8.280 nan 0.000 0.527 1011 V N 0.380 120.260 119.914 -0.056 0.000 2.453 1011 V HA -0.281 3.840 4.120 0.001 0.000 0.247 1011 V C 2.331 178.335 176.094 -0.151 0.000 1.048 1011 V CA 1.856 64.100 62.300 -0.093 0.000 1.049 1011 V CB -0.675 31.212 31.823 0.107 0.000 0.672 1011 V HN 0.417 nan 8.190 nan 0.000 0.457 1012 L N -1.733 119.374 121.223 -0.194 0.000 2.093 1012 L HA -0.065 4.275 4.340 0.001 0.000 0.208 1012 L C 0.655 177.320 176.870 -0.340 0.000 1.085 1012 L CA 1.535 56.151 54.840 -0.373 0.000 0.755 1012 L CB -0.088 41.739 42.059 -0.388 0.000 0.904 1012 L HN 0.337 nan 8.230 nan 0.000 0.435 1013 Y N -2.108 118.178 120.300 -0.023 0.000 2.513 1013 Y HA 0.221 4.771 4.550 0.001 0.000 0.341 1013 Y C -1.874 174.011 175.900 -0.024 0.000 1.075 1013 Y CA -1.731 56.391 58.100 0.037 0.000 1.190 1013 Y CB 0.566 39.114 38.460 0.147 0.000 1.111 1013 Y HN -0.106 nan 8.280 nan 0.000 0.644 1014 P HA -0.262 nan 4.420 nan 0.000 0.208 1014 P C 1.209 178.588 177.300 0.132 0.000 1.180 1014 P CA 2.242 65.203 63.100 -0.232 0.000 0.935 1014 P CB 0.404 31.941 31.700 -0.272 0.000 0.785 1015 K N -0.612 119.868 120.400 0.132 0.000 2.026 1015 K HA -0.088 4.233 4.320 0.001 0.000 0.208 1015 K C 2.097 178.800 176.600 0.173 0.000 1.048 1015 K CA 1.432 57.812 56.287 0.154 0.000 0.929 1015 K CB -1.342 31.230 32.500 0.120 0.000 0.713 1015 K HN 0.008 nan 8.250 nan 0.000 0.439 1016 V N 1.121 121.157 119.914 0.203 0.000 2.287 1016 V HA -0.281 3.840 4.120 0.001 0.000 0.248 1016 V C 2.234 178.404 176.094 0.127 0.000 1.053 1016 V CA 1.821 64.218 62.300 0.161 0.000 1.027 1016 V CB -0.608 31.328 31.823 0.188 0.000 0.646 1016 V HN 0.268 nan 8.190 nan 0.000 0.447 1017 Y N 1.198 121.514 120.300 0.027 0.000 2.114 1017 Y HA -0.215 4.335 4.550 0.001 0.000 0.284 1017 Y C 2.659 178.631 175.900 0.119 0.000 1.143 1017 Y CA 2.014 60.075 58.100 -0.066 0.000 1.135 1017 Y CB -0.220 38.246 38.460 0.010 0.000 0.980 1017 Y HN 0.244 nan 8.280 nan 0.000 0.499 1018 E N 0.450 120.780 120.200 0.217 0.000 2.070 1018 E HA -0.299 4.051 4.350 0.001 0.000 0.197 1018 E C 2.109 178.701 176.600 -0.013 0.000 1.004 1018 E CA 1.920 58.383 56.400 0.104 0.000 0.805 1018 E CB -0.484 29.345 29.700 0.214 0.000 0.744 1018 E HN 0.700 nan 8.360 nan 0.000 0.451 1019 Q N -0.515 119.308 119.800 0.039 0.000 2.170 1019 Q HA -0.178 4.163 4.340 0.001 0.000 0.203 1019 Q C 2.065 178.080 176.000 0.025 0.000 0.976 1019 Q CA 1.299 57.120 55.803 0.031 0.000 0.858 1019 Q CB -0.285 28.486 28.738 0.054 0.000 0.907 1019 Q HN 0.354 nan 8.270 nan 0.000 0.433 1020 Y N 1.063 121.310 120.300 -0.088 0.000 2.181 1020 Y HA -0.242 4.308 4.550 0.001 0.000 0.288 1020 Y C 1.775 177.616 175.900 -0.098 0.000 1.146 1020 Y CA 1.164 59.232 58.100 -0.053 0.000 1.164 1020 Y CB -0.071 38.388 38.460 -0.002 0.000 0.982 1020 Y HN 0.016 nan 8.280 nan 0.000 0.515 1021 I N 0.417 120.731 120.570 -0.427 0.000 2.179 1021 I HA -0.280 3.891 4.170 0.001 0.000 0.242 1021 I C 2.292 178.237 176.117 -0.287 0.000 1.088 1021 I CA 1.356 62.391 61.300 -0.443 0.000 1.357 1021 I CB -1.581 36.217 38.000 -0.337 0.000 1.051 1021 I HN 0.274 nan 8.210 nan 0.000 0.409 1022 Q N 0.825 120.519 119.800 -0.177 0.000 2.062 1022 Q HA -0.197 4.143 4.340 0.001 0.000 0.209 1022 Q C 2.360 178.282 176.000 -0.130 0.000 0.996 1022 Q CA 2.686 58.418 55.803 -0.118 0.000 0.859 1022 Q CB -0.948 27.754 28.738 -0.060 0.000 0.920 1022 Q HN 0.452 nan 8.270 nan 0.000 0.415 1023 T N -0.153 114.336 114.554 -0.108 0.000 2.746 1023 T HA -0.174 4.176 4.350 0.001 0.000 0.267 1023 T C 1.737 176.386 174.700 -0.084 0.000 1.039 1023 T CA 1.498 63.582 62.100 -0.027 0.000 1.142 1023 T CB -0.230 68.695 68.868 0.095 0.000 0.866 1023 T HN 0.317 nan 8.240 nan 0.000 0.444 1024 R N 1.234 121.572 120.500 -0.270 0.000 2.083 1024 R HA -0.090 4.251 4.340 0.001 0.000 0.237 1024 R C 2.171 178.381 176.300 -0.149 0.000 1.137 1024 R CA 1.970 57.915 56.100 -0.258 0.000 0.951 1024 R CB -0.365 29.642 30.300 -0.488 0.000 0.851 1024 R HN 0.526 nan 8.270 nan 0.000 0.434 1025 N N -0.201 118.401 118.700 -0.163 0.000 2.094 1025 N HA -0.265 4.476 4.740 0.001 0.000 0.191 1025 N C 1.911 177.343 175.510 -0.131 0.000 1.023 1025 N CA 1.475 54.451 53.050 -0.123 0.000 0.857 1025 N CB -0.105 38.311 38.487 -0.118 0.000 1.013 1025 N HN 0.406 nan 8.380 nan 0.000 0.426 1026 Q N -0.117 119.568 119.800 -0.192 0.000 2.062 1026 Q HA -0.078 4.262 4.340 0.001 0.000 0.196 1026 Q C 0.666 176.479 176.000 -0.312 0.000 0.967 1026 Q CA 1.238 56.834 55.803 -0.345 0.000 0.832 1026 Q CB 0.198 28.587 28.738 -0.582 0.000 0.899 1026 Q HN 0.534 nan 8.270 nan 0.000 0.442 1027 Y N -0.993 119.311 120.300 0.006 0.000 2.500 1027 Y HA 0.315 4.865 4.550 0.001 0.000 0.246 1027 Y C 0.874 176.764 175.900 -0.016 0.000 1.146 1027 Y CA -0.392 57.725 58.100 0.029 0.000 1.230 1027 Y CB 1.519 40.027 38.460 0.080 0.000 1.214 1027 Y HN 0.357 nan 8.280 nan 0.000 0.526 1028 G N 1.877 110.727 108.800 0.084 0.000 2.598 1028 G HA2 -0.357 3.603 3.960 0.001 0.000 0.244 1028 G HA3 -0.357 3.603 3.960 0.001 0.000 0.244 1028 G C -0.459 174.457 174.900 0.027 0.000 1.302 1028 G CA -0.207 44.914 45.100 0.034 0.000 0.903 1028 G HN 0.455 nan 8.290 nan 0.000 0.575 1029 N N 0.405 119.116 118.700 0.018 0.000 2.415 1029 N HA 0.353 5.093 4.740 0.001 0.000 0.250 1029 N C 1.566 177.066 175.510 -0.017 0.000 1.127 1029 N CA -0.456 52.606 53.050 0.021 0.000 0.945 1029 N CB 0.070 38.571 38.487 0.023 0.000 1.196 1029 N HN 0.479 nan 8.380 nan 0.000 0.499 1030 L N 2.433 123.640 121.223 -0.027 0.000 2.492 1030 L HA -0.009 4.332 4.340 0.001 0.000 0.223 1030 L C 2.195 178.969 176.870 -0.159 0.000 1.132 1030 L CA 0.170 54.948 54.840 -0.103 0.000 0.850 1030 L CB -0.057 41.953 42.059 -0.081 0.000 0.966 1030 L HN 0.534 nan 8.230 nan 0.000 0.454 1031 S N 0.699 116.322 115.700 -0.130 0.000 2.407 1031 S HA -0.176 4.294 4.470 0.001 0.000 0.235 1031 S C 1.827 176.335 174.600 -0.153 0.000 1.036 1031 S CA 1.378 59.477 58.200 -0.168 0.000 1.013 1031 S CB -0.295 62.847 63.200 -0.095 0.000 0.820 1031 S HN 0.411 nan 8.310 nan 0.000 0.476 1032 L N 0.673 121.834 121.223 -0.103 0.000 2.492 1032 L HA 0.192 4.532 4.340 0.001 0.000 0.223 1032 L C 0.405 177.230 176.870 -0.075 0.000 1.132 1032 L CA 0.050 54.845 54.840 -0.075 0.000 0.850 1032 L CB -0.453 41.578 42.059 -0.047 0.000 0.966 1032 L HN 0.195 nan 8.230 nan 0.000 0.454 1033 L N 1.657 122.827 121.223 -0.088 0.000 2.426 1033 L HA 0.069 4.409 4.340 0.001 0.000 0.271 1033 L C 0.384 177.200 176.870 -0.090 0.000 1.169 1033 L CA -0.375 54.432 54.840 -0.055 0.000 0.836 1033 L CB 0.277 42.340 42.059 0.007 0.000 1.112 1033 L HN 0.244 nan 8.230 nan 0.000 0.465 1034 D N 1.165 121.518 120.400 -0.077 0.000 2.382 1034 D HA -0.027 4.613 4.640 0.001 0.000 0.240 1034 D C 0.633 176.828 176.300 -0.175 0.000 1.146 1034 D CA -0.362 53.562 54.000 -0.127 0.000 0.897 1034 D CB 1.200 41.923 40.800 -0.128 0.000 1.197 1034 D HN 0.499 nan 8.370 nan 0.000 0.432 1035 T N 1.751 116.139 114.554 -0.278 0.000 2.652 1035 T HA -0.073 4.278 4.350 0.001 0.000 0.267 1035 T C -0.933 173.596 174.700 -0.286 0.000 1.039 1035 T CA 1.531 63.428 62.100 -0.339 0.000 1.153 1035 T CB -0.970 67.715 68.868 -0.305 0.000 0.863 1035 T HN 0.474 nan 8.240 nan 0.000 0.428 1036 P HA -0.075 nan 4.420 nan 0.000 0.216 1036 P C 1.567 178.946 177.300 0.131 0.000 1.153 1036 P CA 1.332 64.362 63.100 -0.116 0.000 0.858 1036 P CB -0.289 31.183 31.700 -0.380 0.000 0.789 1037 T N -1.234 113.331 114.554 0.020 0.000 2.812 1037 T HA -0.119 4.231 4.350 0.001 0.000 0.264 1037 T C 1.439 176.209 174.700 0.116 0.000 1.042 1037 T CA 0.812 62.966 62.100 0.090 0.000 1.140 1037 T CB -1.016 67.890 68.868 0.064 0.000 0.870 1037 T HN 0.022 nan 8.240 nan 0.000 0.445 1038 F N 0.941 120.812 119.950 -0.132 0.000 2.161 1038 F HA -0.022 4.506 4.527 0.001 0.000 0.300 1038 F C 1.533 177.116 175.800 -0.361 0.000 1.089 1038 F CA 1.185 59.060 58.000 -0.209 0.000 1.282 1038 F CB -0.396 38.294 39.000 -0.517 0.000 1.010 1038 F HN 0.176 nan 8.300 nan 0.000 0.485 1039 F N -2.504 117.237 119.950 -0.349 0.000 2.530 1039 F HA 0.057 4.584 4.527 0.001 0.000 0.292 1039 F C 1.270 176.592 175.800 -0.796 0.000 1.109 1039 F CA 0.231 57.693 58.000 -0.896 0.000 1.450 1039 F CB -0.031 38.434 39.000 -0.891 0.000 1.114 1039 F HN -0.142 nan 8.300 nan 0.000 0.560 1040 F N -0.877 119.103 119.950 0.050 0.000 2.817 1040 F HA 0.420 4.948 4.527 0.001 0.000 0.333 1040 F C 1.433 177.245 175.800 0.020 0.000 1.085 1040 F CA 0.301 58.333 58.000 0.054 0.000 1.170 1040 F CB 0.185 39.236 39.000 0.086 0.000 1.066 1040 F HN 0.004 nan 8.300 nan 0.000 0.564 1041 G N 1.736 110.622 108.800 0.143 0.000 2.514 1041 G HA2 -0.277 3.683 3.960 0.001 0.000 0.265 1041 G HA3 -0.277 3.683 3.960 0.001 0.000 0.265 1041 G C -0.201 174.779 174.900 0.134 0.000 1.150 1041 G CA 0.069 45.227 45.100 0.097 0.000 0.959 1041 G HN 0.075 nan 8.290 nan 0.000 0.556 1042 M N -0.001 119.669 119.600 0.117 0.000 2.593 1042 M HA 0.536 5.016 4.480 0.001 0.000 0.290 1042 M C 0.175 176.520 176.300 0.076 0.000 1.244 1042 M CA -0.781 54.583 55.300 0.107 0.000 0.857 1042 M CB 2.675 35.354 32.600 0.132 0.000 1.738 1042 M HN 0.771 nan 8.290 nan 0.000 0.461 1043 R N 1.204 121.738 120.500 0.056 0.000 2.598 1043 R HA 0.422 4.762 4.340 0.001 0.000 0.279 1043 R C -0.665 175.649 176.300 0.022 0.000 0.984 1043 R CA -0.457 55.660 56.100 0.030 0.000 0.999 1043 R CB 0.998 31.307 30.300 0.014 0.000 1.114 1043 R HN 0.790 nan 8.270 nan 0.000 0.493 1044 N N 0.703 119.406 118.700 0.005 0.000 2.356 1044 N HA -0.035 4.705 4.740 0.001 0.000 0.252 1044 N C 0.537 176.049 175.510 0.003 0.000 1.241 1044 N CA 1.364 54.412 53.050 -0.004 0.000 0.861 1044 N CB 0.385 38.862 38.487 -0.016 0.000 1.075 1044 N HN 0.894 nan 8.380 nan 0.000 0.461 1045 G N 1.104 109.908 108.800 0.007 0.000 2.168 1045 G HA2 -0.320 3.640 3.960 0.001 0.000 0.263 1045 G HA3 -0.320 3.640 3.960 0.001 0.000 0.263 1045 G C 0.064 174.979 174.900 0.025 0.000 0.977 1045 G CA 0.298 45.406 45.100 0.013 0.000 0.659 1045 G HN 0.701 nan 8.290 nan 0.000 0.533 1046 E N 0.552 120.774 120.200 0.035 0.000 2.301 1046 E HA 0.541 4.891 4.350 0.001 0.000 0.275 1046 E C -0.314 176.322 176.600 0.059 0.000 1.030 1046 E CA -0.119 56.306 56.400 0.043 0.000 0.852 1046 E CB 0.633 30.361 29.700 0.046 0.000 1.060 1046 E HN 0.135 nan 8.360 nan 0.000 0.401 1047 T N 2.548 117.132 114.554 0.049 0.000 2.829 1047 T HA 0.461 4.811 4.350 0.001 0.000 0.280 1047 T C -0.933 173.793 174.700 0.044 0.000 0.999 1047 T CA -0.626 61.505 62.100 0.051 0.000 0.983 1047 T CB 1.431 70.322 68.868 0.039 0.000 0.968 1047 T HN 0.228 nan 8.240 nan 0.000 0.446 1048 V N 2.787 122.727 119.914 0.043 0.000 2.638 1048 V HA 0.380 4.501 4.120 0.001 0.000 0.306 1048 V C -0.286 175.818 176.094 0.018 0.000 1.052 1048 V CA -1.023 61.295 62.300 0.030 0.000 0.885 1048 V CB 2.033 33.877 31.823 0.037 0.000 0.999 1048 V HN 0.857 nan 8.190 nan 0.000 0.424 1049 E N 4.535 124.742 120.200 0.010 0.000 2.167 1049 E HA 0.506 4.856 4.350 0.001 0.000 0.284 1049 E C -1.052 175.546 176.600 -0.004 0.000 1.016 1049 E CA -0.314 56.088 56.400 0.003 0.000 0.817 1049 E CB 1.920 31.622 29.700 0.004 0.000 1.080 1049 E HN 0.519 nan 8.360 nan 0.000 0.397 1050 I N 2.799 123.364 120.570 -0.008 0.000 2.330 1050 I HA 0.093 4.264 4.170 0.001 0.000 0.289 1050 I C 0.349 176.457 176.117 -0.015 0.000 1.001 1050 I CA -0.429 60.863 61.300 -0.014 0.000 1.193 1050 I CB 1.196 39.186 38.000 -0.016 0.000 1.345 1050 I HN 0.464 nan 8.210 nan 0.000 0.461 1051 E N 6.232 126.422 120.200 -0.016 0.000 2.257 1051 E HA 0.181 4.531 4.350 0.001 0.000 0.278 1051 E C 0.289 176.878 176.600 -0.017 0.000 1.049 1051 E CA 0.080 56.471 56.400 -0.015 0.000 0.876 1051 E CB 0.879 30.570 29.700 -0.015 0.000 1.035 1051 E HN 0.636 nan 8.360 nan 0.000 0.419 1052 I N 3.116 123.678 120.570 -0.014 0.000 3.172 1052 I HA 0.162 4.333 4.170 0.001 0.000 0.278 1052 I C 0.330 176.440 176.117 -0.012 0.000 1.174 1052 I CA 0.176 61.468 61.300 -0.013 0.000 1.445 1052 I CB 0.458 38.451 38.000 -0.012 0.000 1.175 1052 I HN 0.529 nan 8.210 nan 0.000 0.447 1053 D N -0.979 119.415 120.400 -0.011 0.000 2.692 1053 D HA 0.178 4.818 4.640 0.001 0.000 0.290 1053 D C -1.001 175.292 176.300 -0.010 0.000 1.281 1053 D CA -0.659 53.335 54.000 -0.010 0.000 0.804 1053 D CB 1.511 42.305 40.800 -0.009 0.000 1.331 1053 D HN -0.270 nan 8.370 nan 0.000 0.432 1054 K N 0.384 120.777 120.400 -0.010 0.000 2.436 1054 K HA 0.347 4.668 4.320 0.001 0.000 0.282 1054 K C 0.748 177.343 176.600 -0.010 0.000 1.044 1054 K CA 1.256 57.537 56.287 -0.010 0.000 1.028 1054 K CB -0.000 32.493 32.500 -0.011 0.000 0.919 1054 K HN 0.660 nan 8.250 nan 0.000 0.474 1055 G N 3.473 112.268 108.800 -0.009 0.000 2.168 1055 G HA2 -0.301 3.660 3.960 0.001 0.000 0.263 1055 G HA3 -0.301 3.660 3.960 0.001 0.000 0.263 1055 G C -0.151 174.745 174.900 -0.007 0.000 0.977 1055 G CA 0.424 45.519 45.100 -0.008 0.000 0.659 1055 G HN 0.586 nan 8.290 nan 0.000 0.533 1056 K N 0.529 120.924 120.400 -0.008 0.000 2.413 1056 K HA 0.593 4.913 4.320 0.001 0.000 0.257 1056 K C 0.374 176.969 176.600 -0.009 0.000 0.946 1056 K CA -0.794 55.488 56.287 -0.008 0.000 0.823 1056 K CB 1.102 33.597 32.500 -0.009 0.000 1.109 1056 K HN 0.550 nan 8.250 nan 0.000 0.427 1057 R N 2.659 123.154 120.500 -0.008 0.000 2.739 1057 R HA 0.487 4.827 4.340 0.001 0.000 0.271 1057 R C -1.265 175.029 176.300 -0.009 0.000 1.010 1057 R CA -1.040 55.055 56.100 -0.009 0.000 0.897 1057 R CB 0.974 31.270 30.300 -0.006 0.000 1.236 1057 R HN 0.319 nan 8.270 nan 0.000 0.466 1058 L N 2.376 123.592 121.223 -0.012 0.000 2.272 1058 L HA 0.417 4.758 4.340 0.001 0.000 0.289 1058 L C -0.490 176.374 176.870 -0.010 0.000 1.032 1058 L CA -1.036 53.795 54.840 -0.015 0.000 0.810 1058 L CB 1.511 43.556 42.059 -0.024 0.000 1.205 1058 L HN 0.481 nan 8.230 nan 0.000 0.422 1059 I N 5.936 126.503 120.570 -0.005 0.000 2.307 1059 I HA 0.316 4.486 4.170 0.001 0.000 0.287 1059 I C 0.096 176.218 176.117 0.008 0.000 1.054 1059 I CA -0.148 61.155 61.300 0.005 0.000 1.218 1059 I CB 0.740 38.746 38.000 0.011 0.000 1.398 1059 I HN 0.443 nan 8.210 nan 0.000 0.475 1060 I N 6.154 126.730 120.570 0.011 0.000 2.354 1060 I HA 0.325 4.495 4.170 0.001 0.000 0.292 1060 I C 0.330 176.498 176.117 0.084 0.000 0.989 1060 I CA -0.486 60.825 61.300 0.020 0.000 1.188 1060 I CB 1.502 39.480 38.000 -0.038 0.000 1.342 1060 I HN 0.414 nan 8.210 nan 0.000 0.457 1061 K N 7.424 127.903 120.400 0.132 0.000 2.323 1061 K HA 0.512 4.832 4.320 0.001 0.000 0.259 1061 K C -1.404 175.340 176.600 0.240 0.000 0.947 1061 K CA -0.694 55.682 56.287 0.148 0.000 0.819 1061 K CB 1.798 34.357 32.500 0.098 0.000 1.109 1061 K HN 0.576 nan 8.250 nan 0.000 0.429 1062 L N 5.372 126.710 121.223 0.192 0.000 2.265 1062 L HA 0.195 4.535 4.340 0.001 0.000 0.288 1062 L C 0.943 177.825 176.870 0.020 0.000 1.058 1062 L CA -0.002 54.891 54.840 0.087 0.000 0.809 1062 L CB 0.839 42.930 42.059 0.053 0.000 1.179 1062 L HN 0.841 nan 8.230 nan 0.000 0.429 1063 E N 2.375 122.571 120.200 -0.006 0.000 2.034 1063 E HA 0.086 4.436 4.350 0.001 0.000 0.192 1063 E C -0.099 176.477 176.600 -0.040 0.000 0.963 1063 E CA 0.826 57.224 56.400 -0.004 0.000 0.831 1063 E CB 0.179 29.892 29.700 0.022 0.000 0.801 1063 E HN 0.722 nan 8.360 nan 0.000 0.463 1064 T N -0.704 113.822 114.554 -0.045 0.000 2.787 1064 T HA 0.640 4.991 4.350 0.001 0.000 0.297 1064 T C -0.488 174.211 174.700 -0.001 0.000 1.221 1064 T CA -0.798 61.271 62.100 -0.052 0.000 1.006 1064 T CB 1.411 70.215 68.868 -0.107 0.000 1.328 1064 T HN -0.015 nan 8.240 nan 0.000 0.509 1065 I N 2.011 122.578 120.570 -0.004 0.000 2.474 1065 I HA 0.495 4.665 4.170 0.001 0.000 0.294 1065 I C 0.755 176.905 176.117 0.055 0.000 1.005 1065 I CA -0.737 60.576 61.300 0.022 0.000 1.113 1065 I CB 2.197 40.188 38.000 -0.015 0.000 1.289 1065 I HN 0.923 nan 8.210 nan 0.000 0.436 1066 S N 4.724 120.492 115.700 0.114 0.000 2.655 1066 S HA 0.366 4.837 4.470 0.001 0.000 0.265 1066 S C 0.032 174.673 174.600 0.067 0.000 1.240 1066 S CA -0.819 57.447 58.200 0.110 0.000 0.986 1066 S CB 0.848 64.164 63.200 0.193 0.000 0.985 1066 S HN 0.488 nan 8.310 nan 0.000 0.562 1067 E N 1.839 122.074 120.200 0.058 0.000 2.404 1067 E HA 0.210 4.560 4.350 0.001 0.000 0.261 1067 E C -2.254 174.381 176.600 0.058 0.000 1.074 1067 E CA -1.755 54.673 56.400 0.047 0.000 0.917 1067 E CB -0.322 29.401 29.700 0.038 0.000 0.965 1067 E HN 0.510 nan 8.360 nan 0.000 0.433 1068 P HA -0.041 nan 4.420 nan 0.000 0.267 1068 P C -0.325 177.007 177.300 0.052 0.000 1.209 1068 P CA -0.065 63.066 63.100 0.052 0.000 0.763 1068 P CB 0.377 32.101 31.700 0.039 0.000 0.816 1069 D N 2.469 122.906 120.400 0.062 0.000 2.414 1069 D HA -0.039 4.601 4.640 0.001 0.000 0.251 1069 D C 0.450 176.771 176.300 0.036 0.000 1.252 1069 D CA -0.368 53.663 54.000 0.052 0.000 0.999 1069 D CB 0.134 40.970 40.800 0.060 0.000 1.093 1069 D HN 0.252 nan 8.370 nan 0.000 0.515 1070 E N -1.216 119.001 120.200 0.028 0.000 2.401 1070 E HA -0.015 4.335 4.350 0.001 0.000 0.203 1070 E C -0.292 176.317 176.600 0.016 0.000 1.229 1070 E CA 0.431 56.843 56.400 0.021 0.000 1.000 1070 E CB -0.912 28.799 29.700 0.018 0.000 1.052 1070 E HN 0.443 nan 8.360 nan 0.000 0.497 1071 N N -0.948 117.763 118.700 0.018 0.000 2.036 1071 N HA 0.181 4.922 4.740 0.001 0.000 0.228 1071 N C 0.621 176.144 175.510 0.022 0.000 1.368 1071 N CA 0.217 53.276 53.050 0.014 0.000 0.846 1071 N CB 1.546 40.035 38.487 0.004 0.000 1.145 1071 N HN 0.238 nan 8.380 nan 0.000 0.502 1072 G N 0.828 109.645 108.800 0.029 0.000 2.143 1072 G HA2 -0.270 3.690 3.960 0.001 0.000 0.248 1072 G HA3 -0.270 3.690 3.960 0.001 0.000 0.248 1072 G C -0.600 174.328 174.900 0.046 0.000 0.991 1072 G CA -0.214 44.907 45.100 0.034 0.000 0.689 1072 G HN 0.244 nan 8.290 nan 0.000 0.522 1073 N N 0.895 119.628 118.700 0.056 0.000 2.420 1073 N HA 0.360 5.101 4.740 0.001 0.000 0.249 1073 N C 0.607 176.187 175.510 0.116 0.000 1.033 1073 N CA -0.094 53.008 53.050 0.088 0.000 0.944 1073 N CB 0.690 39.227 38.487 0.083 0.000 1.113 1073 N HN 0.461 nan 8.380 nan 0.000 0.502 1074 R N 0.591 121.153 120.500 0.105 0.000 2.459 1074 R HA 0.371 4.711 4.340 0.001 0.000 0.281 1074 R C -0.029 176.327 176.300 0.093 0.000 1.050 1074 R CA -0.295 55.861 56.100 0.093 0.000 1.055 1074 R CB 0.782 31.114 30.300 0.054 0.000 1.045 1074 R HN 0.282 nan 8.270 nan 0.000 0.495 1075 T N 3.390 117.978 114.554 0.056 0.000 2.749 1075 T HA 0.382 4.732 4.350 0.001 0.000 0.287 1075 T C 0.298 174.895 174.700 -0.173 0.000 0.970 1075 T CA -0.494 61.515 62.100 -0.152 0.000 0.980 1075 T CB 0.523 69.293 68.868 -0.164 0.000 0.924 1075 T HN 0.313 nan 8.240 nan 0.000 0.456 1076 I N 3.649 124.031 120.570 -0.312 0.000 2.315 1076 I HA 0.282 4.453 4.170 0.001 0.000 0.291 1076 I C -0.667 175.169 176.117 -0.469 0.000 1.006 1076 I CA -0.895 60.201 61.300 -0.341 0.000 1.265 1076 I CB 0.668 38.390 38.000 -0.464 0.000 1.387 1076 I HN 0.566 nan 8.210 nan 0.000 0.475 1077 Y N 6.266 126.367 120.300 -0.333 0.000 2.383 1077 Y HA 0.365 4.915 4.550 0.001 0.000 0.344 1077 Y C -0.233 175.521 175.900 -0.243 0.000 0.986 1077 Y CA -0.137 57.837 58.100 -0.210 0.000 1.175 1077 Y CB 0.264 38.652 38.460 -0.119 0.000 1.152 1077 Y HN 0.380 nan 8.280 nan 0.000 0.511 1078 Y N 0.798 121.129 120.300 0.052 0.000 2.602 1078 Y HA 0.792 5.343 4.550 0.001 0.000 0.330 1078 Y C -0.239 175.689 175.900 0.047 0.000 1.114 1078 Y CA -1.513 56.611 58.100 0.040 0.000 1.182 1078 Y CB 1.936 40.399 38.460 0.005 0.000 1.305 1078 Y HN 0.487 nan 8.280 nan 0.000 0.502 1079 A N 2.555 125.531 122.820 0.259 0.000 2.457 1079 A HA 0.553 4.874 4.320 0.001 0.000 0.283 1079 A C -1.326 176.315 177.584 0.095 0.000 1.166 1079 A CA -0.519 51.603 52.037 0.142 0.000 0.740 1079 A CB 0.600 19.664 19.000 0.107 0.000 1.181 1079 A HN 0.761 nan 8.150 nan 0.000 0.446 1080 M N 3.154 122.786 119.600 0.053 0.000 2.114 1080 M HA 0.343 4.823 4.480 0.001 0.000 0.332 1080 M C -0.365 175.941 176.300 0.010 0.000 1.014 1080 M CA -0.169 55.135 55.300 0.006 0.000 0.956 1080 M CB 0.527 33.102 32.600 -0.041 0.000 1.551 1080 M HN 0.742 nan 8.290 nan 0.000 0.427 1081 N N 3.700 122.405 118.700 0.008 0.000 2.705 1081 N HA -0.172 4.568 4.740 0.001 0.000 0.255 1081 N C 0.333 175.852 175.510 0.015 0.000 1.008 1081 N CA 1.596 54.651 53.050 0.008 0.000 0.742 1081 N CB -1.612 36.875 38.487 -0.001 0.000 0.906 1081 N HN 1.174 nan 8.380 nan 0.000 0.541 1082 G N -0.738 108.076 108.800 0.024 0.000 2.314 1082 G HA2 -0.237 3.723 3.960 0.001 0.000 0.292 1082 G HA3 -0.237 3.723 3.960 0.001 0.000 0.292 1082 G C -0.295 174.624 174.900 0.032 0.000 1.059 1082 G CA 0.667 45.784 45.100 0.028 0.000 0.982 1082 G HN 0.691 nan 8.290 nan 0.000 0.505 1083 Q N -0.903 118.921 119.800 0.040 0.000 2.296 1083 Q HA 0.666 5.007 4.340 0.001 0.000 0.254 1083 Q C 0.058 176.096 176.000 0.063 0.000 0.936 1083 Q CA 0.306 56.135 55.803 0.044 0.000 0.834 1083 Q CB 1.339 30.093 28.738 0.028 0.000 1.340 1083 Q HN 1.410 nan 8.270 nan 0.000 0.428 1084 A N 3.291 126.156 122.820 0.074 0.000 2.546 1084 A HA 0.543 4.863 4.320 0.001 0.000 0.243 1084 A C -0.246 177.390 177.584 0.087 0.000 1.063 1084 A CA 0.373 52.466 52.037 0.094 0.000 0.757 1084 A CB 0.213 19.273 19.000 0.100 0.000 0.991 1084 A HN 0.598 nan 8.150 nan 0.000 0.503 1085 R N 0.656 121.212 120.500 0.094 0.000 2.604 1085 R HA 0.564 4.904 4.340 0.001 0.000 0.270 1085 R C -1.218 175.092 176.300 0.017 0.000 1.052 1085 R CA -0.365 55.778 56.100 0.072 0.000 0.902 1085 R CB 1.556 31.911 30.300 0.092 0.000 1.233 1085 R HN 0.838 nan 8.270 nan 0.000 0.455 1086 R N 3.585 124.039 120.500 -0.076 0.000 2.561 1086 R HA 0.599 4.939 4.340 0.001 0.000 0.297 1086 R C -0.828 175.289 176.300 -0.306 0.000 0.969 1086 R CA -0.877 55.030 56.100 -0.322 0.000 0.879 1086 R CB 1.756 31.771 30.300 -0.475 0.000 1.178 1086 R HN 0.311 nan 8.270 nan 0.000 0.445 1087 I N 3.591 123.937 120.570 -0.373 0.000 2.533 1087 I HA 0.291 4.462 4.170 0.001 0.000 0.290 1087 I C -1.006 174.909 176.117 -0.336 0.000 1.056 1087 I CA -1.014 60.176 61.300 -0.183 0.000 1.057 1087 I CB 1.754 39.842 38.000 0.147 0.000 1.240 1087 I HN 0.591 nan 8.210 nan 0.000 0.423 1088 Y N 5.921 126.232 120.300 0.019 0.000 2.331 1088 Y HA 0.536 5.086 4.550 0.001 0.000 0.338 1088 Y C 0.217 176.136 175.900 0.031 0.000 0.992 1088 Y CA -0.768 57.336 58.100 0.007 0.000 1.121 1088 Y CB 1.539 39.998 38.460 -0.002 0.000 1.184 1088 Y HN 0.217 nan 8.280 nan 0.000 0.469 1089 I N 3.514 124.176 120.570 0.152 0.000 2.465 1089 I HA 0.221 4.391 4.170 0.001 0.000 0.291 1089 I C -0.104 176.069 176.117 0.093 0.000 1.014 1089 I CA -1.452 59.914 61.300 0.111 0.000 1.093 1089 I CB 1.926 39.974 38.000 0.079 0.000 1.267 1089 I HN 0.564 nan 8.210 nan 0.000 0.431 1090 K N 4.705 125.152 120.400 0.078 0.000 2.402 1090 K HA -0.015 4.305 4.320 0.001 0.000 0.285 1090 K C -0.253 176.375 176.600 0.047 0.000 1.054 1090 K CA -0.127 56.195 56.287 0.058 0.000 1.001 1090 K CB 0.385 32.914 32.500 0.048 0.000 0.946 1090 K HN 0.475 nan 8.250 nan 0.000 0.473 1091 D N 4.502 124.927 120.400 0.042 0.000 2.325 1091 D HA 0.005 4.645 4.640 0.001 0.000 0.251 1091 D C 0.378 176.694 176.300 0.027 0.000 1.196 1091 D CA 0.260 54.280 54.000 0.033 0.000 0.866 1091 D CB 1.047 41.867 40.800 0.032 0.000 1.101 1091 D HN 0.581 nan 8.370 nan 0.000 0.476 1092 E N 2.486 122.700 120.200 0.022 0.000 2.385 1092 E HA -0.039 4.311 4.350 0.001 0.000 0.194 1092 E C 0.148 176.758 176.600 0.017 0.000 1.013 1092 E CA -0.085 56.326 56.400 0.019 0.000 0.866 1092 E CB 0.307 30.017 29.700 0.016 0.000 0.832 1092 E HN 0.470 nan 8.360 nan 0.000 0.500 1141 E N -0.363 119.840 120.200 0.005 0.000 2.307 1141 E HA 0.703 5.054 4.350 0.001 0.000 0.280 1141 E C 0.023 176.626 176.600 0.005 0.000 0.900 1141 E CA -0.563 55.840 56.400 0.005 0.000 0.790 1141 E CB 1.383 31.086 29.700 0.004 0.000 1.261 1141 E HN 0.969 nan 8.360 nan 0.000 0.405 1142 A N 4.791 127.613 122.820 0.004 0.000 3.988 1142 A HA 0.374 4.695 4.320 0.001 0.000 0.172 1142 A C 0.665 178.252 177.584 0.004 0.000 1.739 1142 A CA -0.001 52.039 52.037 0.004 0.000 1.323 1142 A CB 0.032 19.035 19.000 0.004 0.000 1.178 1142 A HN 0.725 nan 8.150 nan 0.000 0.402 1143 M N -1.146 118.456 119.600 0.004 0.000 2.852 1143 M HA 0.417 4.897 4.480 0.001 0.000 0.321 1143 M C -0.599 175.703 176.300 0.003 0.000 1.337 1143 M CA -0.082 55.221 55.300 0.003 0.000 1.406 1143 M CB 0.410 33.012 32.600 0.003 0.000 1.152 1143 M HN 0.578 nan 8.290 nan 0.000 0.508 1144 K N -0.101 120.301 120.400 0.003 0.000 3.349 1144 K HA -0.116 4.205 4.320 0.001 0.000 0.310 1144 K C -0.623 175.979 176.600 0.003 0.000 1.267 1144 K CA 1.068 57.357 56.287 0.003 0.000 0.920 1144 K CB -0.884 31.618 32.500 0.003 0.000 1.240 1144 K HN 0.638 nan 8.250 nan 0.000 0.453 1145 M N 1.031 120.633 119.600 0.003 0.000 2.181 1145 M HA 0.227 4.707 4.480 0.001 0.000 0.323 1145 M C -0.238 176.064 176.300 0.004 0.000 1.004 1145 M CA -0.151 55.151 55.300 0.003 0.000 0.941 1145 M CB 1.550 34.152 32.600 0.003 0.000 1.579 1145 M HN 0.059 nan 8.290 nan 0.000 0.427 1146 E N 2.713 122.915 120.200 0.003 0.000 2.175 1146 E HA 0.568 4.918 4.350 0.001 0.000 0.278 1146 E C -0.855 175.747 176.600 0.004 0.000 0.969 1146 E CA -0.155 56.247 56.400 0.004 0.000 0.796 1146 E CB 1.408 31.110 29.700 0.004 0.000 1.104 1146 E HN 0.782 nan 8.360 nan 0.000 0.395 1147 T N 0.000 114.556 114.554 0.004 0.000 3.816 1147 T HA 0.000 4.350 4.350 0.001 0.000 0.228 1147 T CA 0.000 62.102 62.100 0.004 0.000 1.349 1147 T CB 0.000 68.870 68.868 0.004 0.000 0.612 1147 T HN 0.000 nan 8.240 nan 0.000 0.658