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 1sjj_1_A DATA FIRST_RESID 26 DATA SEQUENCE LDPAWEKQQR KTFTAWCNSH LRKAGTQIEN IEEDFRDGLK LMLLLEVISG DATA SEQUENCE ERLAKPERGK MRVHKISNVN KALDFIASKG VKLVSIGAEE IVDGNVKMTL DATA SEQUENCE GMIWTIILRF AIQDISVEET SAKEGLLLWY QRKTAPYKNV NIQNFHISWK DATA SEQUENCE DGLGFCALIH RHRPELIDYG KLRKDDPLTN LNTAFDVAEK YLDIPKMLDA DATA SEQUENCE EDIVGTARPD EKAIMTYVSS FYHAFSGAQK AETAANRICK VLAVNQENEQ DATA SEQUENCE LMEDYEKLAS DLLEWIRRTI PWLENRAPEN TMQAMQQKLE DFRDYRRLHK DATA SEQUENCE PPKVQEKCQL EINFNTLQTK LRLSNRPAFM PSEGKMVSDI NNAWGGLEQA DATA SEQUENCE EKGYEEWLLN EIRRLERLDH LAEKFRQKAS IHESWTDGKE AMLQQKDYET DATA SEQUENCE ATLSEIKALL KKHEAFESDL AAHQDRVEQI AAIAQELNEL DYYDSPSVNA DATA SEQUENCE RCQKICDQWD NLGALTQKRR EALERTEKLL ETIDQLYLEY AKRAAPFNNW DATA SEQUENCE MEGAMEDLQD TFIVHTIEEI QGLTTAHEQF KATLPDADKE RQAILGIHNE DATA SEQUENCE VSKIVQTYHV NMAGTNPYTT ITPQEINGKW EHVRQLVPRR DQALMEEHAR DATA SEQUENCE QQQNERLRKQ FGAQANVIGP WIQTKMEEIG RISIEMHGTL EDQLNHLRQY DATA SEQUENCE EKSIVNYKPK IDQLEGDHQQ IQEALIFDNK HTNYTMEHIR VGWEQLLTTI DATA SEQUENCE ARTINEVENQ ILTRDAKGIS QEQMNEFRAS FNHFDRKKTG MMDCEDFRAC DATA SEQUENCE LISMGYNMGE AEFARIMSIV DPNRMGVVTF QAFIDFMSRE TADTDTADQV DATA SEQUENCE MASFKILAGD KNYITVDELR RELPPDQAEY CIARMAPYNG RDAVPGALDY DATA SEQUENCE MSFSTALYGE SDL 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 26 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.799 176.870 -0.118 0.000 1.165 26 L CA 0.000 54.782 54.840 -0.096 0.000 0.813 26 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 27 D N 1.075 121.369 120.400 -0.177 0.000 2.725 27 D HA 0.184 4.823 4.640 -0.002 0.000 0.269 27 D C -0.886 175.271 176.300 -0.239 0.000 1.018 27 D CA 0.846 54.720 54.000 -0.210 0.000 0.956 27 D CB -0.203 40.437 40.800 -0.266 0.000 1.141 27 D HN 0.206 nan 8.370 nan 0.000 0.478 28 P HA -0.182 nan 4.420 nan 0.000 0.136 28 P C -0.478 176.568 177.300 -0.423 0.000 1.038 28 P CA 1.169 64.027 63.100 -0.404 0.000 0.496 28 P CB -0.775 30.837 31.700 -0.146 0.000 0.553 29 A N -0.904 121.693 122.820 -0.373 0.000 2.990 29 A HA 0.242 4.561 4.320 -0.002 0.000 0.282 29 A C 0.042 177.490 177.584 -0.225 0.000 1.688 29 A CA -0.361 51.520 52.037 -0.260 0.000 1.391 29 A CB -0.955 17.905 19.000 -0.233 0.000 1.112 29 A HN 0.219 nan 8.150 nan 0.000 0.588 30 W N 1.886 123.110 121.300 -0.128 0.000 2.581 30 W HA 0.230 4.889 4.660 -0.002 0.000 0.359 30 W C 0.930 177.358 176.519 -0.152 0.000 1.167 30 W CA -0.418 56.857 57.345 -0.116 0.000 1.517 30 W CB 0.194 29.595 29.460 -0.098 0.000 1.519 30 W HN 0.755 nan 8.180 nan 0.000 0.431 31 E N 2.132 122.377 120.200 0.074 0.000 2.118 31 E HA -0.252 4.096 4.350 -0.002 0.000 0.195 31 E C 1.519 178.098 176.600 -0.035 0.000 0.992 31 E CA 1.241 57.627 56.400 -0.023 0.000 0.804 31 E CB -0.018 29.678 29.700 -0.007 0.000 0.741 31 E HN 0.540 nan 8.360 nan 0.000 0.458 32 K N 0.438 120.856 120.400 0.031 0.000 2.288 32 K HA -0.081 4.238 4.320 -0.002 0.000 0.201 32 K C 2.241 178.809 176.600 -0.054 0.000 1.048 32 K CA 0.511 56.792 56.287 -0.010 0.000 0.956 32 K CB 0.072 32.577 32.500 0.008 0.000 0.746 32 K HN 0.041 nan 8.250 nan 0.000 0.461 33 Q N 1.592 121.366 119.800 -0.043 0.000 2.033 33 Q HA -0.107 4.232 4.340 -0.002 0.000 0.196 33 Q C 1.898 177.808 176.000 -0.150 0.000 0.970 33 Q CA 1.435 57.186 55.803 -0.087 0.000 0.828 33 Q CB 0.076 28.783 28.738 -0.053 0.000 0.895 33 Q HN 0.331 nan 8.270 nan 0.000 0.440 34 Q N 0.197 119.845 119.800 -0.253 0.000 2.173 34 Q HA -0.217 4.122 4.340 -0.002 0.000 0.208 34 Q C 2.217 177.783 176.000 -0.723 0.000 0.989 34 Q CA 1.644 57.052 55.803 -0.658 0.000 0.872 34 Q CB -0.209 28.031 28.738 -0.829 0.000 0.909 34 Q HN 0.250 nan 8.270 nan 0.000 0.420 35 R N 0.810 121.104 120.500 -0.344 0.000 2.083 35 R HA -0.156 4.183 4.340 -0.002 0.000 0.237 35 R C 2.060 178.317 176.300 -0.072 0.000 1.137 35 R CA 1.426 57.427 56.100 -0.164 0.000 0.951 35 R CB 0.094 30.348 30.300 -0.077 0.000 0.851 35 R HN 0.137 nan 8.270 nan 0.000 0.434 36 K N -0.701 119.660 120.400 -0.066 0.000 2.032 36 K HA -0.117 4.202 4.320 -0.002 0.000 0.209 36 K C 2.070 178.709 176.600 0.065 0.000 1.048 36 K CA 2.030 58.316 56.287 -0.002 0.000 0.927 36 K CB -0.346 32.145 32.500 -0.015 0.000 0.712 36 K HN 0.239 nan 8.250 nan 0.000 0.441 37 T N 1.367 115.948 114.554 0.046 0.000 2.720 37 T HA -0.108 4.241 4.350 -0.002 0.000 0.268 37 T C 1.644 176.621 174.700 0.462 0.000 1.037 37 T CA 1.250 63.476 62.100 0.209 0.000 1.144 37 T CB -0.179 68.804 68.868 0.192 0.000 0.864 37 T HN 0.055 nan 8.240 nan 0.000 0.444 38 F N 1.561 121.621 119.950 0.183 0.000 2.367 38 F HA 0.098 4.624 4.527 -0.002 0.000 0.298 38 F C 2.701 178.666 175.800 0.275 0.000 1.094 38 F CA 0.231 58.362 58.000 0.219 0.000 1.409 38 F CB -1.750 37.358 39.000 0.179 0.000 1.064 38 F HN 0.135 nan 8.300 nan 0.000 0.528 39 T N 0.104 114.867 114.554 0.348 0.000 2.857 39 T HA -0.046 4.303 4.350 -0.002 0.000 0.266 39 T C 2.187 177.023 174.700 0.226 0.000 1.048 39 T CA 1.201 63.431 62.100 0.218 0.000 1.139 39 T CB -0.468 68.452 68.868 0.087 0.000 0.874 39 T HN 0.209 nan 8.240 nan 0.000 0.455 40 A N -0.650 122.312 122.820 0.236 0.000 2.248 40 A HA 0.044 4.363 4.320 -0.002 0.000 0.210 40 A C 1.778 179.539 177.584 0.295 0.000 1.174 40 A CA 0.515 52.681 52.037 0.215 0.000 0.750 40 A CB -0.742 18.369 19.000 0.184 0.000 0.780 40 A HN 0.709 nan 8.150 nan 0.000 0.478 41 W N -0.763 120.638 121.300 0.168 0.000 2.728 41 W HA -0.069 4.590 4.660 -0.002 0.000 0.270 41 W C 2.539 179.142 176.519 0.139 0.000 1.150 41 W CA 1.099 58.532 57.345 0.148 0.000 1.518 41 W CB -0.189 29.369 29.460 0.164 0.000 1.069 41 W HN 0.438 nan 8.180 nan 0.000 0.590 42 C N 0.536 120.133 119.300 0.495 0.000 2.413 42 C HA -0.149 4.310 4.460 -0.002 0.000 0.276 42 C C 2.156 177.243 174.990 0.162 0.000 1.236 42 C CA 1.550 60.763 59.018 0.326 0.000 1.735 42 C CB -1.478 26.489 27.740 0.380 0.000 2.031 42 C HN 0.346 nan 8.230 nan 0.000 0.474 43 N N 1.256 120.038 118.700 0.136 0.000 2.459 43 N HA -0.067 4.672 4.740 -0.002 0.000 0.181 43 N C 1.975 177.496 175.510 0.019 0.000 1.046 43 N CA 1.384 54.476 53.050 0.070 0.000 0.904 43 N CB -0.363 38.162 38.487 0.064 0.000 0.964 43 N HN 0.732 nan 8.380 nan 0.000 0.444 44 S N 0.001 115.695 115.700 -0.011 0.000 2.383 44 S HA -0.137 4.332 4.470 -0.002 0.000 0.227 44 S C 1.816 176.303 174.600 -0.189 0.000 1.026 44 S CA 0.992 59.128 58.200 -0.107 0.000 0.981 44 S CB -0.115 62.989 63.200 -0.159 0.000 0.818 44 S HN 0.449 nan 8.310 nan 0.000 0.472 45 H N -0.247 118.656 119.070 -0.278 0.000 2.363 45 H HA 0.155 4.710 4.556 -0.002 0.000 0.301 45 H C 1.892 177.131 175.328 -0.148 0.000 1.074 45 H CA 1.411 57.289 56.048 -0.284 0.000 1.354 45 H CB -0.146 29.387 29.762 -0.380 0.000 1.397 45 H HN 0.260 nan 8.280 nan 0.000 0.516 46 L N 0.750 122.013 121.223 0.066 0.000 1.990 46 L HA -0.221 4.118 4.340 -0.002 0.000 0.213 46 L C 2.147 179.015 176.870 -0.003 0.000 1.072 46 L CA 1.800 56.670 54.840 0.050 0.000 0.755 46 L CB -0.419 41.667 42.059 0.045 0.000 0.889 46 L HN 0.245 nan 8.230 nan 0.000 0.432 47 R N -0.551 119.927 120.500 -0.036 0.000 2.377 47 R HA -0.140 4.198 4.340 -0.002 0.000 0.207 47 R C 1.639 177.890 176.300 -0.081 0.000 1.075 47 R CA 0.675 56.745 56.100 -0.050 0.000 1.035 47 R CB -0.242 30.028 30.300 -0.050 0.000 0.857 47 R HN 0.428 nan 8.270 nan 0.000 0.475 48 K N -0.984 119.340 120.400 -0.127 0.000 2.354 48 K HA 0.168 4.487 4.320 -0.002 0.000 0.194 48 K C 1.447 177.987 176.600 -0.100 0.000 1.045 48 K CA 0.525 56.714 56.287 -0.162 0.000 1.026 48 K CB 0.838 33.141 32.500 -0.328 0.000 0.866 48 K HN 0.063 nan 8.250 nan 0.000 0.530 49 A N 0.923 123.719 122.820 -0.040 0.000 2.070 49 A HA 0.329 4.648 4.320 -0.002 0.000 0.202 49 A C 0.799 178.380 177.584 -0.006 0.000 1.277 49 A CA 0.564 52.599 52.037 -0.004 0.000 0.872 49 A CB 0.671 19.699 19.000 0.046 0.000 0.933 49 A HN 0.210 nan 8.150 nan 0.000 0.475 50 G N -1.073 107.725 108.800 -0.004 0.000 2.746 50 G HA2 0.418 4.377 3.960 -0.002 0.000 0.297 50 G HA3 0.418 4.377 3.960 -0.002 0.000 0.297 50 G C 0.344 175.240 174.900 -0.007 0.000 1.426 50 G CA 0.551 45.648 45.100 -0.005 0.000 0.989 50 G HN 0.306 nan 8.290 nan 0.000 0.520 51 T N -1.297 113.251 114.554 -0.009 0.000 3.085 51 T HA 0.041 4.390 4.350 -0.002 0.000 0.263 51 T C 1.053 175.750 174.700 -0.005 0.000 1.127 51 T CA 0.352 62.446 62.100 -0.010 0.000 1.103 51 T CB 0.110 68.971 68.868 -0.011 0.000 0.921 51 T HN 0.474 nan 8.240 nan 0.000 0.510 52 Q N 2.040 121.840 119.800 -0.000 0.000 2.395 52 Q HA 0.203 4.542 4.340 -0.002 0.000 0.271 52 Q C -0.247 175.758 176.000 0.008 0.000 1.026 52 Q CA -0.056 55.749 55.803 0.004 0.000 0.900 52 Q CB 0.510 29.252 28.738 0.006 0.000 1.266 52 Q HN 0.595 nan 8.270 nan 0.000 0.430 53 I N -0.150 120.426 120.570 0.009 0.000 2.608 53 I HA 0.534 4.703 4.170 -0.002 0.000 0.295 53 I C -0.636 175.490 176.117 0.016 0.000 1.049 53 I CA -0.544 60.764 61.300 0.014 0.000 1.063 53 I CB 1.853 39.859 38.000 0.010 0.000 1.248 53 I HN 0.737 nan 8.210 nan 0.000 0.424 54 E N 3.558 123.772 120.200 0.023 0.000 2.580 54 E HA 0.508 4.857 4.350 -0.002 0.000 0.178 54 E C -1.079 175.528 176.600 0.013 0.000 0.738 54 E CA -0.886 55.525 56.400 0.018 0.000 0.967 54 E CB 1.148 30.863 29.700 0.025 0.000 1.942 54 E HN 0.684 nan 8.360 nan 0.000 0.376 55 N N -0.404 118.294 118.700 -0.003 0.000 2.934 55 N HA 0.491 5.230 4.740 -0.002 0.000 0.253 55 N C -1.992 173.464 175.510 -0.090 0.000 1.466 55 N CA -0.512 52.521 53.050 -0.029 0.000 0.858 55 N CB 1.699 40.170 38.487 -0.027 0.000 1.459 55 N HN 0.404 nan 8.380 nan 0.000 0.532 56 I N 1.427 121.917 120.570 -0.133 0.000 2.529 56 I HA 0.290 4.459 4.170 -0.002 0.000 0.284 56 I C -0.174 175.845 176.117 -0.165 0.000 1.088 56 I CA -0.241 60.906 61.300 -0.255 0.000 1.062 56 I CB 2.182 39.931 38.000 -0.418 0.000 1.218 56 I HN 0.621 nan 8.210 nan 0.000 0.442 57 E N 3.274 123.392 120.200 -0.138 0.000 2.879 57 E HA 0.050 4.399 4.350 -0.002 0.000 0.206 57 E C 1.255 177.810 176.600 -0.075 0.000 0.969 57 E CA 0.438 56.782 56.400 -0.092 0.000 1.496 57 E CB 0.401 30.070 29.700 -0.052 0.000 1.454 57 E HN 0.493 nan 8.360 nan 0.000 0.750 58 E N 0.570 120.734 120.200 -0.059 0.000 2.250 58 E HA -0.030 4.319 4.350 -0.002 0.000 0.192 58 E C -0.208 176.384 176.600 -0.013 0.000 0.986 58 E CA 0.668 57.056 56.400 -0.020 0.000 0.849 58 E CB 0.219 29.919 29.700 -0.001 0.000 0.797 58 E HN 0.239 nan 8.360 nan 0.000 0.482 59 D N -0.022 120.326 120.400 -0.087 0.000 2.690 59 D HA 0.031 4.670 4.640 -0.002 0.000 0.236 59 D C 0.236 176.616 176.300 0.133 0.000 1.218 59 D CA -0.002 53.986 54.000 -0.019 0.000 0.829 59 D CB 0.100 40.858 40.800 -0.070 0.000 1.009 59 D HN 0.137 nan 8.370 nan 0.000 0.482 60 F N -0.052 119.922 119.950 0.041 0.000 2.658 60 F HA 0.190 4.716 4.527 -0.002 0.000 0.293 60 F C 2.135 177.957 175.800 0.036 0.000 0.986 60 F CA -0.336 57.690 58.000 0.042 0.000 1.182 60 F CB -0.030 39.002 39.000 0.053 0.000 0.965 60 F HN -0.149 nan 8.300 nan 0.000 0.659 61 R N 0.999 121.639 120.500 0.234 0.000 2.117 61 R HA -0.190 4.149 4.340 -0.002 0.000 0.243 61 R C 1.879 178.240 176.300 0.101 0.000 1.143 61 R CA 1.916 58.099 56.100 0.137 0.000 0.968 61 R CB -0.588 29.773 30.300 0.101 0.000 0.863 61 R HN 0.316 nan 8.270 nan 0.000 0.444 62 D N -0.952 119.509 120.400 0.102 0.000 2.117 62 D HA -0.100 4.539 4.640 -0.002 0.000 0.198 62 D C 1.370 177.714 176.300 0.074 0.000 0.982 62 D CA 1.907 55.955 54.000 0.080 0.000 0.828 62 D CB -0.174 40.669 40.800 0.073 0.000 0.967 62 D HN 0.320 nan 8.370 nan 0.000 0.464 63 G N -0.771 108.082 108.800 0.088 0.000 2.195 63 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.224 63 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.224 63 G C 0.994 175.920 174.900 0.043 0.000 0.990 63 G CA 0.417 45.551 45.100 0.057 0.000 0.639 63 G HN 0.354 nan 8.290 nan 0.000 0.514 64 L N 0.706 121.962 121.223 0.055 0.000 2.109 64 L HA 0.179 4.518 4.340 -0.002 0.000 0.207 64 L C 2.738 179.631 176.870 0.038 0.000 1.086 64 L CA 1.987 56.848 54.840 0.035 0.000 0.760 64 L CB -0.288 41.791 42.059 0.035 0.000 0.910 64 L HN 0.071 nan 8.230 nan 0.000 0.437 65 K N -0.028 120.423 120.400 0.086 0.000 2.148 65 K HA -0.015 4.304 4.320 -0.002 0.000 0.204 65 K C 2.128 178.777 176.600 0.081 0.000 1.050 65 K CA 1.128 57.487 56.287 0.120 0.000 0.942 65 K CB -0.515 32.125 32.500 0.233 0.000 0.724 65 K HN 0.310 nan 8.250 nan 0.000 0.446 66 L N 0.375 121.613 121.223 0.026 0.000 2.056 66 L HA -0.111 4.228 4.340 -0.002 0.000 0.207 66 L C 2.568 179.396 176.870 -0.070 0.000 1.078 66 L CA 0.868 55.649 54.840 -0.098 0.000 0.749 66 L CB -0.472 41.493 42.059 -0.156 0.000 0.901 66 L HN 0.106 nan 8.230 nan 0.000 0.433 67 M N -0.660 118.914 119.600 -0.044 0.000 2.108 67 M HA -0.205 4.274 4.480 -0.002 0.000 0.261 67 M C 2.354 178.604 176.300 -0.085 0.000 1.066 67 M CA 1.778 57.037 55.300 -0.070 0.000 1.107 67 M CB -0.905 31.656 32.600 -0.065 0.000 1.356 67 M HN 0.221 nan 8.290 nan 0.000 0.406 68 L N -0.237 120.956 121.223 -0.049 0.000 2.072 68 L HA -0.119 4.220 4.340 -0.002 0.000 0.205 68 L C 2.324 179.160 176.870 -0.057 0.000 1.079 68 L CA 0.970 55.781 54.840 -0.047 0.000 0.752 68 L CB -1.037 41.015 42.059 -0.013 0.000 0.906 68 L HN 0.196 nan 8.230 nan 0.000 0.436 69 L N -1.135 120.059 121.223 -0.050 0.000 2.191 69 L HA -0.169 4.170 4.340 -0.002 0.000 0.212 69 L C 2.190 178.980 176.870 -0.133 0.000 1.103 69 L CA 1.580 56.366 54.840 -0.090 0.000 0.769 69 L CB -0.448 41.589 42.059 -0.037 0.000 0.908 69 L HN 0.180 nan 8.230 nan 0.000 0.438 70 L N -0.905 120.256 121.223 -0.103 0.000 2.201 70 L HA -0.181 4.158 4.340 -0.002 0.000 0.212 70 L C 2.396 179.202 176.870 -0.107 0.000 1.105 70 L CA 1.138 55.923 54.840 -0.091 0.000 0.775 70 L CB -0.299 41.720 42.059 -0.066 0.000 0.913 70 L HN 0.373 nan 8.230 nan 0.000 0.440 71 E N -0.601 119.524 120.200 -0.124 0.000 2.107 71 E HA -0.178 4.171 4.350 -0.002 0.000 0.191 71 E C 2.150 178.705 176.600 -0.075 0.000 0.982 71 E CA 1.509 57.841 56.400 -0.114 0.000 0.809 71 E CB -0.057 29.581 29.700 -0.104 0.000 0.756 71 E HN 0.486 nan 8.360 nan 0.000 0.459 72 V N 0.664 120.529 119.914 -0.083 0.000 2.667 72 V HA -0.049 4.070 4.120 -0.002 0.000 0.252 72 V C 1.810 177.877 176.094 -0.045 0.000 1.065 72 V CA 0.910 63.189 62.300 -0.035 0.000 1.083 72 V CB -0.788 31.037 31.823 0.004 0.000 0.692 72 V HN 0.275 nan 8.190 nan 0.000 0.468 73 I N 0.925 121.406 120.570 -0.148 0.000 3.585 73 I HA 0.496 4.665 4.170 -0.002 0.000 0.325 73 I C 0.374 176.471 176.117 -0.032 0.000 1.370 73 I CA 0.614 61.861 61.300 -0.089 0.000 1.298 73 I CB -1.198 36.730 38.000 -0.120 0.000 1.387 73 I HN 0.547 nan 8.210 nan 0.000 0.466 74 S N 0.604 116.293 115.700 -0.018 0.000 4.438 74 S HA 0.533 5.002 4.470 -0.002 0.000 0.233 74 S C 0.674 175.272 174.600 -0.003 0.000 1.080 74 S CA 0.142 58.344 58.200 0.003 0.000 1.101 74 S CB 0.721 63.936 63.200 0.025 0.000 1.989 74 S HN 0.288 nan 8.310 nan 0.000 0.546 75 G N 0.746 109.540 108.800 -0.011 0.000 2.613 75 G HA2 0.326 4.285 3.960 -0.002 0.000 0.208 75 G HA3 0.326 4.285 3.960 -0.002 0.000 0.208 75 G C -0.556 174.316 174.900 -0.047 0.000 1.318 75 G CA -0.129 44.958 45.100 -0.022 0.000 0.559 75 G HN 0.684 nan 8.290 nan 0.000 1.015 76 E N 1.435 121.606 120.200 -0.049 0.000 3.142 76 E HA -0.176 4.173 4.350 -0.002 0.000 0.276 76 E C 0.105 176.620 176.600 -0.143 0.000 0.887 76 E CA 0.273 56.625 56.400 -0.080 0.000 0.975 76 E CB 0.641 30.305 29.700 -0.060 0.000 0.937 76 E HN 0.393 nan 8.360 nan 0.000 0.516 77 R N 3.244 123.673 120.500 -0.119 0.000 2.435 77 R HA 0.046 4.384 4.340 -0.002 0.000 0.325 77 R C -0.046 176.146 176.300 -0.180 0.000 1.149 77 R CA -0.112 55.915 56.100 -0.121 0.000 0.995 77 R CB -0.313 29.942 30.300 -0.075 0.000 1.008 77 R HN 0.416 nan 8.270 nan 0.000 0.470 78 L N 4.614 125.702 121.223 -0.225 0.000 2.423 78 L HA 0.250 4.588 4.340 -0.002 0.000 0.249 78 L C 0.337 177.109 176.870 -0.164 0.000 1.276 78 L CA -0.444 54.224 54.840 -0.288 0.000 1.199 78 L CB 0.523 42.339 42.059 -0.405 0.000 1.407 78 L HN 0.555 nan 8.230 nan 0.000 0.410 79 A N 2.058 124.804 122.820 -0.123 0.000 2.302 79 A HA 0.448 4.767 4.320 -0.002 0.000 0.295 79 A C -0.043 177.505 177.584 -0.060 0.000 1.235 79 A CA -0.395 51.597 52.037 -0.075 0.000 0.876 79 A CB 0.549 19.516 19.000 -0.056 0.000 1.133 79 A HN 0.416 nan 8.150 nan 0.000 0.533 80 K N 3.071 123.443 120.400 -0.046 0.000 2.138 80 K HA 0.577 4.896 4.320 -0.002 0.000 0.263 80 K C -2.679 173.899 176.600 -0.036 0.000 0.965 80 K CA -2.058 54.212 56.287 -0.029 0.000 0.868 80 K CB 0.995 33.484 32.500 -0.018 0.000 1.083 80 K HN 0.276 nan 8.250 nan 0.000 0.443 81 P HA 0.216 nan 4.420 nan 0.000 0.231 81 P C -1.364 175.885 177.300 -0.086 0.000 1.756 81 P CA 0.197 63.264 63.100 -0.056 0.000 0.990 81 P CB 0.342 32.009 31.700 -0.054 0.000 1.973 82 E N 0.625 120.784 120.200 -0.068 0.000 2.389 82 E HA 0.317 4.666 4.350 -0.002 0.000 0.281 82 E C 0.117 176.704 176.600 -0.021 0.000 1.111 82 E CA -0.610 55.749 56.400 -0.069 0.000 0.869 82 E CB 1.666 31.292 29.700 -0.123 0.000 1.259 82 E HN 0.142 nan 8.360 nan 0.000 0.434 83 R N -0.685 119.818 120.500 0.005 0.000 4.157 83 R HA -0.051 4.288 4.340 -0.002 0.000 0.233 83 R C 0.710 177.052 176.300 0.070 0.000 0.241 83 R CA 0.531 56.647 56.100 0.026 0.000 0.842 83 R CB -1.927 28.383 30.300 0.017 0.000 1.097 83 R HN 1.322 nan 8.270 nan 0.000 0.511 84 G N 0.493 109.367 108.800 0.124 0.000 2.698 84 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.233 84 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.233 84 G C 0.102 175.061 174.900 0.097 0.000 1.352 84 G CA 1.422 46.639 45.100 0.195 0.000 0.879 84 G HN 0.959 nan 8.290 nan 0.000 0.567 85 K N -2.597 117.842 120.400 0.066 0.000 2.503 85 K HA 0.139 4.458 4.320 -0.002 0.000 0.153 85 K C 1.070 177.674 176.600 0.007 0.000 1.954 85 K CA -0.105 56.201 56.287 0.031 0.000 1.268 85 K CB -0.129 32.381 32.500 0.018 0.000 2.075 85 K HN 0.473 nan 8.250 nan 0.000 0.552 86 M N 1.894 121.471 119.600 -0.038 0.000 2.207 86 M HA 0.124 4.603 4.480 -0.002 0.000 0.311 86 M C 1.419 177.697 176.300 -0.038 0.000 1.127 86 M CA 0.560 55.816 55.300 -0.073 0.000 1.181 86 M CB 0.384 32.875 32.600 -0.180 0.000 1.409 86 M HN 0.200 nan 8.290 nan 0.000 0.461 87 R N 0.940 121.422 120.500 -0.030 0.000 2.097 87 R HA -0.135 4.204 4.340 -0.002 0.000 0.236 87 R C 1.767 178.085 176.300 0.030 0.000 1.135 87 R CA 2.014 58.116 56.100 0.004 0.000 0.934 87 R CB -0.424 29.878 30.300 0.002 0.000 0.846 87 R HN 0.567 nan 8.270 nan 0.000 0.431 88 V N 0.548 120.476 119.914 0.023 0.000 2.277 88 V HA -0.312 3.807 4.120 -0.002 0.000 0.253 88 V C 2.074 178.306 176.094 0.230 0.000 1.067 88 V CA 2.306 64.668 62.300 0.104 0.000 1.047 88 V CB -0.771 31.113 31.823 0.101 0.000 0.649 88 V HN 0.483 nan 8.190 nan 0.000 0.447 89 H N -1.259 117.818 119.070 0.012 0.000 2.544 89 H HA 0.118 4.673 4.556 -0.002 0.000 0.269 89 H C 2.094 177.431 175.328 0.014 0.000 0.970 89 H CA 0.812 56.867 56.048 0.012 0.000 1.219 89 H CB 0.046 29.814 29.762 0.010 0.000 1.421 89 H HN 0.311 nan 8.280 nan 0.000 0.555 90 K N 0.633 121.114 120.400 0.135 0.000 2.141 90 K HA 0.070 4.389 4.320 -0.002 0.000 0.202 90 K C 1.929 178.569 176.600 0.066 0.000 1.045 90 K CA 0.534 56.871 56.287 0.083 0.000 0.971 90 K CB -0.113 32.427 32.500 0.067 0.000 0.795 90 K HN 0.254 nan 8.250 nan 0.000 0.459 91 I N -1.122 119.486 120.570 0.063 0.000 2.423 91 I HA -0.206 3.963 4.170 -0.002 0.000 0.254 91 I C 1.690 177.835 176.117 0.047 0.000 1.151 91 I CA 1.359 62.690 61.300 0.050 0.000 1.421 91 I CB -0.673 37.354 38.000 0.045 0.000 1.079 91 I HN -0.117 nan 8.210 nan 0.000 0.431 92 S N 1.500 117.232 115.700 0.054 0.000 2.400 92 S HA -0.222 4.247 4.470 -0.002 0.000 0.234 92 S C 1.835 176.455 174.600 0.033 0.000 1.049 92 S CA 1.993 60.217 58.200 0.040 0.000 1.039 92 S CB -0.646 62.572 63.200 0.030 0.000 0.856 92 S HN 0.638 nan 8.310 nan 0.000 0.465 93 N N 0.574 119.294 118.700 0.033 0.000 2.220 93 N HA 0.028 4.767 4.740 -0.002 0.000 0.182 93 N C 1.807 177.333 175.510 0.027 0.000 1.023 93 N CA 0.919 53.984 53.050 0.025 0.000 0.856 93 N CB -0.591 37.910 38.487 0.023 0.000 0.997 93 N HN 0.214 nan 8.380 nan 0.000 0.429 94 V N 2.137 122.067 119.914 0.027 0.000 2.407 94 V HA -0.211 3.908 4.120 -0.002 0.000 0.248 94 V C 1.712 177.819 176.094 0.023 0.000 1.055 94 V CA 1.500 63.811 62.300 0.018 0.000 1.049 94 V CB -0.742 31.094 31.823 0.021 0.000 0.662 94 V HN 0.285 nan 8.190 nan 0.000 0.455 95 N N 0.063 118.780 118.700 0.029 0.000 2.058 95 N HA -0.201 4.538 4.740 -0.002 0.000 0.191 95 N C 1.901 177.437 175.510 0.045 0.000 1.037 95 N CA 1.571 54.639 53.050 0.030 0.000 0.848 95 N CB -0.259 38.245 38.487 0.029 0.000 1.021 95 N HN 0.407 nan 8.380 nan 0.000 0.422 96 K N 0.677 121.116 120.400 0.065 0.000 2.097 96 K HA -0.057 4.262 4.320 -0.002 0.000 0.206 96 K C 1.946 178.665 176.600 0.198 0.000 1.049 96 K CA 1.133 57.494 56.287 0.124 0.000 0.933 96 K CB -0.136 32.440 32.500 0.126 0.000 0.717 96 K HN 0.172 nan 8.250 nan 0.000 0.442 97 A N 1.541 124.438 122.820 0.128 0.000 1.948 97 A HA -0.185 4.134 4.320 -0.002 0.000 0.220 97 A C 2.074 179.718 177.584 0.100 0.000 1.177 97 A CA 1.526 53.635 52.037 0.119 0.000 0.636 97 A CB -0.700 18.315 19.000 0.026 0.000 0.815 97 A HN 0.349 nan 8.150 nan 0.000 0.449 98 L N -0.544 120.707 121.223 0.046 0.000 2.043 98 L HA -0.249 4.090 4.340 -0.002 0.000 0.212 98 L C 2.216 179.071 176.870 -0.025 0.000 1.075 98 L CA 1.681 56.524 54.840 0.005 0.000 0.752 98 L CB -0.789 41.265 42.059 -0.008 0.000 0.891 98 L HN 0.377 nan 8.230 nan 0.000 0.432 99 D N -0.041 120.324 120.400 -0.059 0.000 2.097 99 D HA -0.180 4.459 4.640 -0.002 0.000 0.195 99 D C 2.125 178.211 176.300 -0.356 0.000 0.989 99 D CA 1.485 55.344 54.000 -0.234 0.000 0.827 99 D CB -0.235 40.327 40.800 -0.398 0.000 0.966 99 D HN 0.244 nan 8.370 nan 0.000 0.456 100 F N 1.084 121.010 119.950 -0.039 0.000 2.202 100 F HA -0.090 4.436 4.527 -0.002 0.000 0.301 100 F C 2.437 178.206 175.800 -0.051 0.000 1.082 100 F CA 0.515 58.489 58.000 -0.043 0.000 1.313 100 F CB -0.438 38.535 39.000 -0.044 0.000 1.024 100 F HN -0.046 nan 8.300 nan 0.000 0.495 101 I N -0.350 120.248 120.570 0.046 0.000 2.163 101 I HA -0.257 3.912 4.170 -0.002 0.000 0.240 101 I C 2.696 178.783 176.117 -0.049 0.000 1.081 101 I CA 1.132 62.424 61.300 -0.013 0.000 1.353 101 I CB -0.951 37.032 38.000 -0.029 0.000 1.054 101 I HN 0.079 nan 8.210 nan 0.000 0.407 102 A N 0.450 123.227 122.820 -0.071 0.000 1.865 102 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 102 A C 2.503 180.032 177.584 -0.091 0.000 1.191 102 A CA 2.346 54.336 52.037 -0.079 0.000 0.623 102 A CB -0.933 18.015 19.000 -0.087 0.000 0.826 102 A HN 0.379 nan 8.150 nan 0.000 0.444 103 S N 0.093 115.712 115.700 -0.136 0.000 2.377 103 S HA -0.203 4.266 4.470 -0.002 0.000 0.224 103 S C 1.543 176.095 174.600 -0.080 0.000 1.042 103 S CA 1.853 59.972 58.200 -0.135 0.000 1.086 103 S CB -0.412 62.657 63.200 -0.219 0.000 0.995 103 S HN 0.630 nan 8.310 nan 0.000 0.428 104 K N 1.381 121.747 120.400 -0.057 0.000 2.795 104 K HA 0.126 4.445 4.320 -0.002 0.000 0.223 104 K C 0.682 177.265 176.600 -0.029 0.000 0.965 104 K CA 0.375 56.645 56.287 -0.027 0.000 1.092 104 K CB -0.831 31.667 32.500 -0.004 0.000 0.900 104 K HN 0.501 nan 8.250 nan 0.000 0.483 105 G N 0.657 109.435 108.800 -0.037 0.000 2.473 105 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.289 105 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.289 105 G C -0.356 174.524 174.900 -0.034 0.000 1.084 105 G CA -0.325 44.757 45.100 -0.031 0.000 1.215 105 G HN 0.147 nan 8.290 nan 0.000 0.527 106 V N 1.467 121.357 119.914 -0.040 0.000 2.914 106 V HA 0.567 4.686 4.120 -0.002 0.000 0.314 106 V C 0.589 176.662 176.094 -0.035 0.000 1.084 106 V CA -1.268 61.006 62.300 -0.044 0.000 0.963 106 V CB 2.197 33.987 31.823 -0.055 0.000 1.025 106 V HN 0.448 nan 8.190 nan 0.000 0.432 107 K N 3.415 123.798 120.400 -0.028 0.000 2.220 107 K HA 0.331 4.649 4.320 -0.002 0.000 0.283 107 K C 0.123 176.712 176.600 -0.019 0.000 1.098 107 K CA -0.064 56.212 56.287 -0.017 0.000 0.928 107 K CB 0.108 32.605 32.500 -0.004 0.000 1.214 107 K HN 0.618 nan 8.250 nan 0.000 0.442 108 L N 2.846 124.055 121.223 -0.022 0.000 2.046 108 L HA -0.010 4.329 4.340 -0.002 0.000 0.203 108 L C 0.622 177.486 176.870 -0.011 0.000 1.111 108 L CA 0.047 54.875 54.840 -0.020 0.000 0.769 108 L CB -0.328 41.715 42.059 -0.026 0.000 0.914 108 L HN 0.292 nan 8.230 nan 0.000 0.448 109 V N 1.871 121.777 119.914 -0.012 0.000 3.217 109 V HA -0.260 3.859 4.120 -0.002 0.000 0.276 109 V C 0.874 176.967 176.094 -0.002 0.000 1.093 109 V CA 1.269 63.564 62.300 -0.008 0.000 1.216 109 V CB -1.019 30.798 31.823 -0.010 0.000 0.743 109 V HN 0.749 nan 8.190 nan 0.000 0.401 110 S N 1.482 117.182 115.700 -0.000 0.000 1.324 110 S HA -0.074 4.395 4.470 -0.002 0.000 0.253 110 S C 0.229 174.833 174.600 0.006 0.000 0.577 110 S CA 0.105 58.307 58.200 0.005 0.000 0.931 110 S CB -0.442 62.763 63.200 0.009 0.000 0.793 110 S HN 0.549 nan 8.310 nan 0.000 0.485 111 I N 2.889 123.462 120.570 0.004 0.000 2.328 111 I HA 0.588 4.756 4.170 -0.002 0.000 0.287 111 I C 0.925 177.042 176.117 -0.000 0.000 1.012 111 I CA -0.177 61.126 61.300 0.005 0.000 1.195 111 I CB 1.190 39.193 38.000 0.005 0.000 1.350 111 I HN 0.415 nan 8.210 nan 0.000 0.464 112 G N 3.522 112.324 108.800 0.004 0.000 2.940 112 G HA2 0.571 4.530 3.960 -0.002 0.000 0.164 112 G HA3 0.571 4.530 3.960 -0.002 0.000 0.164 112 G C 0.686 175.590 174.900 0.007 0.000 1.326 112 G CA 0.338 45.440 45.100 0.003 0.000 1.020 112 G HN 0.571 nan 8.290 nan 0.000 0.586 113 A N -0.863 121.963 122.820 0.010 0.000 1.901 113 A HA 0.165 4.484 4.320 -0.002 0.000 0.210 113 A C 2.121 179.717 177.584 0.020 0.000 1.208 113 A CA 1.637 53.683 52.037 0.015 0.000 0.644 113 A CB -0.483 18.527 19.000 0.016 0.000 0.863 113 A HN 0.560 nan 8.150 nan 0.000 0.454 114 E N 1.187 121.398 120.200 0.019 0.000 2.049 114 E HA -0.256 4.093 4.350 -0.002 0.000 0.198 114 E C 1.291 177.906 176.600 0.025 0.000 1.007 114 E CA 1.593 58.006 56.400 0.021 0.000 0.809 114 E CB -0.888 28.822 29.700 0.017 0.000 0.749 114 E HN 0.585 nan 8.360 nan 0.000 0.450 115 E N 0.318 120.532 120.200 0.023 0.000 2.209 115 E HA -0.110 4.239 4.350 -0.002 0.000 0.196 115 E C 2.180 178.802 176.600 0.038 0.000 0.993 115 E CA 0.768 57.185 56.400 0.028 0.000 0.819 115 E CB -0.036 29.678 29.700 0.024 0.000 0.745 115 E HN 0.369 nan 8.360 nan 0.000 0.477 116 I N 0.027 120.619 120.570 0.036 0.000 2.270 116 I HA -0.143 4.026 4.170 -0.002 0.000 0.239 116 I C 2.474 178.627 176.117 0.059 0.000 1.080 116 I CA 0.630 61.957 61.300 0.046 0.000 1.383 116 I CB -1.160 36.855 38.000 0.026 0.000 1.097 116 I HN -0.081 nan 8.210 nan 0.000 0.420 117 V N 1.354 121.297 119.914 0.048 0.000 2.255 117 V HA -0.202 3.917 4.120 -0.002 0.000 0.243 117 V C 2.047 178.170 176.094 0.049 0.000 1.038 117 V CA 1.871 64.202 62.300 0.052 0.000 1.008 117 V CB -0.625 31.224 31.823 0.042 0.000 0.645 117 V HN 0.356 nan 8.190 nan 0.000 0.449 118 D N 0.059 120.482 120.400 0.039 0.000 2.234 118 D HA 0.146 4.785 4.640 -0.002 0.000 0.205 118 D C 1.229 177.550 176.300 0.035 0.000 0.962 118 D CA 1.352 55.371 54.000 0.033 0.000 0.855 118 D CB 0.380 41.195 40.800 0.025 0.000 0.951 118 D HN 0.576 nan 8.370 nan 0.000 0.500 119 G N 2.016 110.840 108.800 0.040 0.000 2.662 119 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.558 119 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.558 119 G C -0.694 174.236 174.900 0.051 0.000 1.081 119 G CA -0.743 44.388 45.100 0.053 0.000 1.261 119 G HN 0.109 nan 8.290 nan 0.000 0.559 120 N N 1.264 119.995 118.700 0.051 0.000 2.408 120 N HA 0.294 5.033 4.740 -0.002 0.000 0.257 120 N C 1.364 176.913 175.510 0.064 0.000 1.064 120 N CA 0.251 53.330 53.050 0.048 0.000 0.952 120 N CB 1.720 40.231 38.487 0.039 0.000 1.093 120 N HN 0.559 nan 8.380 nan 0.000 0.490 121 V N 4.619 124.569 119.914 0.060 0.000 2.913 121 V HA -0.095 4.024 4.120 -0.002 0.000 0.260 121 V C 1.722 177.861 176.094 0.074 0.000 1.098 121 V CA 1.681 64.023 62.300 0.070 0.000 1.121 121 V CB -0.285 31.567 31.823 0.048 0.000 0.714 121 V HN 0.630 nan 8.190 nan 0.000 0.487 122 K N -1.109 119.326 120.400 0.060 0.000 2.186 122 K HA 0.077 4.396 4.320 -0.002 0.000 0.202 122 K C 1.964 178.612 176.600 0.081 0.000 1.052 122 K CA 0.958 57.281 56.287 0.060 0.000 0.965 122 K CB -0.076 32.445 32.500 0.036 0.000 0.746 122 K HN 0.341 nan 8.250 nan 0.000 0.457 123 M N 0.679 120.324 119.600 0.075 0.000 2.394 123 M HA -0.049 4.430 4.480 -0.002 0.000 0.266 123 M C 2.295 178.648 176.300 0.088 0.000 1.098 123 M CA 1.384 56.727 55.300 0.070 0.000 1.149 123 M CB -0.942 31.687 32.600 0.049 0.000 1.369 123 M HN 0.198 nan 8.290 nan 0.000 0.450 124 T N 0.529 115.153 114.554 0.117 0.000 2.580 124 T HA -0.185 4.164 4.350 -0.002 0.000 0.265 124 T C 2.007 176.834 174.700 0.212 0.000 1.063 124 T CA 1.430 63.630 62.100 0.168 0.000 1.170 124 T CB -1.115 67.910 68.868 0.262 0.000 0.863 124 T HN 0.317 nan 8.240 nan 0.000 0.418 125 L N 1.427 122.815 121.223 0.274 0.000 2.021 125 L HA -0.094 4.245 4.340 -0.002 0.000 0.215 125 L C 3.233 180.314 176.870 0.352 0.000 1.074 125 L CA 1.769 56.855 54.840 0.410 0.000 0.760 125 L CB -1.500 40.747 42.059 0.313 0.000 0.889 125 L HN 0.551 nan 8.230 nan 0.000 0.433 126 G N -0.464 108.462 108.800 0.210 0.000 2.446 126 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.217 126 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.217 126 G C 1.608 176.568 174.900 0.100 0.000 1.168 126 G CA 0.950 46.145 45.100 0.159 0.000 0.771 126 G HN 0.269 nan 8.290 nan 0.000 0.551 127 M N 0.210 119.835 119.600 0.042 0.000 2.149 127 M HA -0.051 4.428 4.480 -0.002 0.000 0.261 127 M C 2.114 178.345 176.300 -0.115 0.000 1.064 127 M CA 1.468 56.745 55.300 -0.038 0.000 1.102 127 M CB -0.212 32.357 32.600 -0.052 0.000 1.369 127 M HN 0.141 nan 8.290 nan 0.000 0.408 128 I N -1.126 119.379 120.570 -0.108 0.000 2.876 128 I HA -0.235 3.934 4.170 -0.002 0.000 0.264 128 I C 2.202 178.003 176.117 -0.527 0.000 1.204 128 I CA 0.764 61.909 61.300 -0.259 0.000 1.485 128 I CB -1.550 36.393 38.000 -0.094 0.000 1.103 128 I HN 0.618 nan 8.210 nan 0.000 0.446 129 W N 2.531 123.457 121.300 -0.623 0.000 2.436 129 W HA -0.204 4.455 4.660 -0.002 0.000 0.284 129 W C 2.249 178.528 176.519 -0.401 0.000 1.225 129 W CA 1.951 58.903 57.345 -0.656 0.000 1.271 129 W CB 0.007 29.255 29.460 -0.354 0.000 1.114 129 W HN 0.295 nan 8.180 nan 0.000 0.559 130 T N -1.493 112.903 114.554 -0.264 0.000 3.007 130 T HA -0.142 4.207 4.350 -0.002 0.000 0.270 130 T C 1.703 176.201 174.700 -0.336 0.000 1.107 130 T CA 1.243 63.184 62.100 -0.265 0.000 1.118 130 T CB -0.541 68.257 68.868 -0.118 0.000 0.889 130 T HN 0.194 nan 8.240 nan 0.000 0.506 131 I N -0.128 120.196 120.570 -0.410 0.000 2.731 131 I HA 0.152 4.321 4.170 -0.002 0.000 0.260 131 I C 2.301 178.056 176.117 -0.603 0.000 1.138 131 I CA 0.409 61.480 61.300 -0.382 0.000 1.461 131 I CB -0.140 37.699 38.000 -0.267 0.000 1.128 131 I HN 0.171 nan 8.210 nan 0.000 0.438 132 I N 0.604 120.507 120.570 -1.112 0.000 2.163 132 I HA -0.301 3.868 4.170 -0.002 0.000 0.243 132 I C 2.409 177.946 176.117 -0.966 0.000 1.085 132 I CA 1.437 61.837 61.300 -1.500 0.000 1.347 132 I CB -0.189 36.700 38.000 -1.851 0.000 1.044 132 I HN 0.219 nan 8.210 nan 0.000 0.408 133 L N 0.791 121.397 121.223 -1.028 0.000 2.376 133 L HA 0.010 4.349 4.340 -0.002 0.000 0.219 133 L C 1.441 178.167 176.870 -0.240 0.000 1.133 133 L CA 0.987 55.454 54.840 -0.621 0.000 0.816 133 L CB -0.466 41.176 42.059 -0.696 0.000 0.933 133 L HN 0.043 nan 8.230 nan 0.000 0.449 134 R N -0.931 119.404 120.500 -0.275 0.000 2.347 134 R HA 0.118 4.457 4.340 -0.002 0.000 0.304 134 R C 0.054 176.256 176.300 -0.163 0.000 1.072 134 R CA 0.051 56.079 56.100 -0.119 0.000 0.980 134 R CB 0.418 30.644 30.300 -0.123 0.000 0.986 134 R HN 0.125 nan 8.270 nan 0.000 0.448 135 F N 2.860 122.786 119.950 -0.041 0.000 2.350 135 F HA 0.265 4.791 4.527 -0.002 0.000 0.253 135 F C 1.817 177.612 175.800 -0.009 0.000 1.088 135 F CA 0.968 58.961 58.000 -0.012 0.000 1.037 135 F CB -0.186 38.803 39.000 -0.018 0.000 1.107 135 F HN 0.696 nan 8.300 nan 0.000 0.603 136 A N -0.078 122.870 122.820 0.214 0.000 3.797 136 A HA -0.240 4.079 4.320 -0.002 0.000 0.251 136 A C 0.535 178.180 177.584 0.102 0.000 0.963 136 A CA 0.575 52.676 52.037 0.107 0.000 1.494 136 A CB -2.616 16.417 19.000 0.055 0.000 0.978 136 A HN 0.256 nan 8.150 nan 0.000 0.821 137 I N 1.097 121.771 120.570 0.174 0.000 2.581 137 I HA 0.239 4.408 4.170 -0.002 0.000 0.285 137 I C 0.661 176.814 176.117 0.059 0.000 1.129 137 I CA 0.871 62.251 61.300 0.133 0.000 1.397 137 I CB 0.381 38.501 38.000 0.200 0.000 1.399 137 I HN 0.468 nan 8.210 nan 0.000 0.537 138 Q N 4.507 124.304 119.800 -0.004 0.000 2.648 138 Q HA 0.264 4.602 4.340 -0.002 0.000 0.300 138 Q C -0.675 175.287 176.000 -0.064 0.000 0.954 138 Q CA -0.572 55.199 55.803 -0.054 0.000 0.757 138 Q CB 2.365 31.076 28.738 -0.045 0.000 1.482 138 Q HN 0.496 nan 8.270 nan 0.000 0.437 139 D N 0.065 120.416 120.400 -0.083 0.000 2.435 139 D HA 0.244 4.883 4.640 -0.002 0.000 0.257 139 D C 0.620 176.876 176.300 -0.074 0.000 1.290 139 D CA 0.559 54.505 54.000 -0.091 0.000 0.994 139 D CB -0.051 40.681 40.800 -0.113 0.000 1.014 139 D HN 0.429 nan 8.370 nan 0.000 0.378 140 I N 0.807 121.337 120.570 -0.067 0.000 2.779 140 I HA 0.013 4.182 4.170 -0.002 0.000 0.285 140 I C 1.688 177.757 176.117 -0.081 0.000 1.134 140 I CA -0.035 61.224 61.300 -0.068 0.000 1.398 140 I CB 1.188 39.157 38.000 -0.051 0.000 1.404 140 I HN 0.008 nan 8.210 nan 0.000 0.587 141 S N 3.678 119.328 115.700 -0.083 0.000 2.294 141 S HA 0.096 4.565 4.470 -0.002 0.000 0.203 141 S C 0.786 175.330 174.600 -0.093 0.000 1.022 141 S CA 0.766 58.906 58.200 -0.100 0.000 0.955 141 S CB 0.078 63.217 63.200 -0.101 0.000 0.943 141 S HN 0.567 nan 8.310 nan 0.000 0.472 142 V N 0.718 120.592 119.914 -0.067 0.000 3.598 142 V HA -0.144 3.975 4.120 -0.002 0.000 0.512 142 V C -0.783 175.284 176.094 -0.044 0.000 0.694 142 V CA 0.779 63.050 62.300 -0.048 0.000 2.207 142 V CB -0.958 30.832 31.823 -0.056 0.000 2.382 142 V HN 0.748 nan 8.190 nan 0.000 0.495 143 E N 0.833 121.014 120.200 -0.032 0.000 2.266 143 E HA 0.454 4.803 4.350 -0.002 0.000 0.277 143 E C -0.095 176.503 176.600 -0.003 0.000 1.018 143 E CA -0.529 55.866 56.400 -0.009 0.000 0.840 143 E CB 0.794 30.494 29.700 -0.001 0.000 1.082 143 E HN 0.654 nan 8.360 nan 0.000 0.395 144 E N 0.456 120.661 120.200 0.008 0.000 2.425 144 E HA -0.012 4.337 4.350 -0.002 0.000 0.258 144 E C -0.137 176.481 176.600 0.030 0.000 1.151 144 E CA 0.226 56.641 56.400 0.024 0.000 0.958 144 E CB 0.345 30.059 29.700 0.024 0.000 0.968 144 E HN 0.491 nan 8.360 nan 0.000 0.451 145 T N 1.734 116.323 114.554 0.058 0.000 3.110 145 T HA -0.200 4.149 4.350 -0.002 0.000 0.445 145 T C -0.592 174.148 174.700 0.067 0.000 0.772 145 T CA 0.373 62.527 62.100 0.090 0.000 2.271 145 T CB -1.352 67.602 68.868 0.143 0.000 1.657 145 T HN 0.571 nan 8.240 nan 0.000 0.594 146 S N 2.101 117.833 115.700 0.053 0.000 4.474 146 S HA 0.104 4.573 4.470 -0.002 0.000 0.535 146 S C 1.267 175.910 174.600 0.071 0.000 1.029 146 S CA 0.592 58.824 58.200 0.053 0.000 0.913 146 S CB -0.306 62.917 63.200 0.039 0.000 1.054 146 S HN 1.430 nan 8.310 nan 0.000 0.442 147 A N 3.356 126.227 122.820 0.084 0.000 1.586 147 A HA 0.552 4.871 4.320 -0.002 0.000 0.194 147 A C 0.452 178.117 177.584 0.136 0.000 1.991 147 A CA 0.521 52.632 52.037 0.123 0.000 1.590 147 A CB 0.254 19.356 19.000 0.169 0.000 1.564 147 A HN 0.815 nan 8.150 nan 0.000 0.295 148 K N 0.362 120.813 120.400 0.085 0.000 1.837 148 K HA -0.010 4.309 4.320 -0.002 0.000 0.470 148 K C -0.036 176.557 176.600 -0.012 0.000 1.095 148 K CA 1.093 57.419 56.287 0.064 0.000 0.499 148 K CB -1.910 30.666 32.500 0.126 0.000 2.731 148 K HN 0.338 nan 8.250 nan 0.000 0.513 149 E N -0.141 120.021 120.200 -0.063 0.000 2.068 149 E HA -0.105 4.244 4.350 -0.002 0.000 0.207 149 E C 1.560 178.153 176.600 -0.011 0.000 1.032 149 E CA 2.567 58.939 56.400 -0.047 0.000 0.839 149 E CB -0.077 29.564 29.700 -0.097 0.000 0.758 149 E HN 0.811 nan 8.360 nan 0.000 0.457 150 G N -1.728 107.034 108.800 -0.063 0.000 2.698 150 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.200 150 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.200 150 G C 0.450 175.166 174.900 -0.306 0.000 2.083 150 G CA -0.026 44.877 45.100 -0.327 0.000 1.629 150 G HN 0.075 nan 8.290 nan 0.000 0.565 151 L N 0.110 121.326 121.223 -0.012 0.000 2.242 151 L HA 0.595 4.934 4.340 -0.002 0.000 0.202 151 L C 2.468 179.633 176.870 0.491 0.000 1.217 151 L CA 1.297 56.325 54.840 0.314 0.000 1.714 151 L CB -1.215 41.110 42.059 0.444 0.000 1.482 151 L HN 0.413 nan 8.230 nan 0.000 0.853 152 L N -0.449 121.077 121.223 0.505 0.000 1.963 152 L HA -0.248 4.091 4.340 -0.002 0.000 0.220 152 L C 2.300 179.334 176.870 0.274 0.000 1.076 152 L CA 1.959 57.024 54.840 0.375 0.000 0.772 152 L CB -0.861 41.235 42.059 0.062 0.000 0.892 152 L HN 0.262 nan 8.230 nan 0.000 0.435 153 L N -1.719 119.609 121.223 0.174 0.000 2.042 153 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 153 L C 2.301 179.270 176.870 0.164 0.000 1.076 153 L CA 2.234 57.147 54.840 0.121 0.000 0.749 153 L CB -1.143 40.961 42.059 0.075 0.000 0.893 153 L HN 0.544 nan 8.230 nan 0.000 0.432 154 W N -0.875 120.423 121.300 -0.002 0.000 2.325 154 W HA -0.326 4.333 4.660 -0.002 0.000 0.299 154 W C 2.369 178.809 176.519 -0.132 0.000 1.215 154 W CA 1.663 58.964 57.345 -0.073 0.000 1.244 154 W CB -0.220 29.189 29.460 -0.085 0.000 1.140 154 W HN 0.162 nan 8.180 nan 0.000 0.523 155 Y N -0.008 120.589 120.300 0.496 0.000 2.163 155 Y HA -0.290 4.259 4.550 -0.002 0.000 0.288 155 Y C 2.860 178.774 175.900 0.025 0.000 1.136 155 Y CA 2.018 60.309 58.100 0.319 0.000 1.147 155 Y CB -1.437 37.281 38.460 0.428 0.000 0.987 155 Y HN -0.022 nan 8.280 nan 0.000 0.509 156 Q N 1.291 121.171 119.800 0.132 0.000 2.062 156 Q HA -0.312 4.027 4.340 -0.002 0.000 0.209 156 Q C 2.401 178.330 176.000 -0.118 0.000 0.996 156 Q CA 2.089 57.870 55.803 -0.037 0.000 0.859 156 Q CB -0.457 28.251 28.738 -0.051 0.000 0.920 156 Q HN 0.495 nan 8.270 nan 0.000 0.415 157 R N 0.112 120.521 120.500 -0.151 0.000 2.134 157 R HA -0.239 4.100 4.340 -0.002 0.000 0.248 157 R C 2.118 178.250 176.300 -0.279 0.000 1.143 157 R CA 2.377 58.346 56.100 -0.219 0.000 0.957 157 R CB -0.032 30.100 30.300 -0.281 0.000 0.867 157 R HN 0.053 nan 8.270 nan 0.000 0.441 158 K N -0.458 119.734 120.400 -0.347 0.000 2.025 158 K HA -0.080 4.239 4.320 -0.002 0.000 0.207 158 K C 2.157 178.545 176.600 -0.352 0.000 1.049 158 K CA 2.118 58.166 56.287 -0.397 0.000 0.933 158 K CB -0.480 31.737 32.500 -0.471 0.000 0.714 158 K HN 0.536 nan 8.250 nan 0.000 0.438 159 T N -1.920 112.477 114.554 -0.262 0.000 3.023 159 T HA 0.117 4.466 4.350 -0.002 0.000 0.266 159 T C 1.986 176.543 174.700 -0.239 0.000 1.093 159 T CA 0.717 62.671 62.100 -0.243 0.000 1.129 159 T CB -0.173 68.601 68.868 -0.157 0.000 0.899 159 T HN 0.086 nan 8.240 nan 0.000 0.491 160 A N 2.746 125.438 122.820 -0.213 0.000 2.019 160 A HA 0.105 4.424 4.320 -0.002 0.000 0.219 160 A C 0.129 177.610 177.584 -0.171 0.000 1.164 160 A CA 0.890 52.827 52.037 -0.167 0.000 0.644 160 A CB -1.521 17.392 19.000 -0.144 0.000 0.805 160 A HN 0.473 nan 8.150 nan 0.000 0.449 161 P HA -0.053 nan 4.420 nan 0.000 0.234 161 P C -0.620 176.564 177.300 -0.193 0.000 1.167 161 P CA 0.847 63.799 63.100 -0.246 0.000 0.763 161 P CB -0.033 31.458 31.700 -0.348 0.000 0.835 162 Y N -0.128 120.039 120.300 -0.221 0.000 2.842 162 Y HA 0.281 4.830 4.550 -0.002 0.000 0.334 162 Y C 0.542 176.350 175.900 -0.152 0.000 1.019 162 Y CA -1.837 56.110 58.100 -0.256 0.000 1.258 162 Y CB -0.054 38.035 38.460 -0.618 0.000 1.106 162 Y HN -0.217 nan 8.280 nan 0.000 0.545 163 K N 1.752 122.180 120.400 0.046 0.000 2.686 163 K HA 0.105 4.424 4.320 -0.002 0.000 0.244 163 K C 0.436 177.097 176.600 0.103 0.000 1.262 163 K CA 0.191 56.489 56.287 0.019 0.000 1.199 163 K CB -0.161 32.317 32.500 -0.037 0.000 1.428 163 K HN 0.364 nan 8.250 nan 0.000 0.247 164 N N -0.024 118.745 118.700 0.116 0.000 2.118 164 N HA 0.053 4.792 4.740 -0.002 0.000 0.226 164 N C -1.035 174.507 175.510 0.053 0.000 1.305 164 N CA 0.131 53.260 53.050 0.131 0.000 0.890 164 N CB 1.438 40.041 38.487 0.193 0.000 1.118 164 N HN -0.020 nan 8.380 nan 0.000 0.511 165 V N 1.900 121.816 119.914 0.002 0.000 2.447 165 V HA 0.315 4.434 4.120 -0.002 0.000 0.292 165 V C -0.475 175.539 176.094 -0.134 0.000 1.021 165 V CA -0.987 61.275 62.300 -0.065 0.000 0.850 165 V CB 2.111 33.899 31.823 -0.059 0.000 1.005 165 V HN 0.069 nan 8.190 nan 0.000 0.426 166 N N 5.552 124.146 118.700 -0.176 0.000 2.546 166 N HA 0.413 5.151 4.740 -0.002 0.000 0.238 166 N C -0.641 174.658 175.510 -0.352 0.000 0.984 166 N CA -0.352 52.569 53.050 -0.215 0.000 0.935 166 N CB 1.150 39.538 38.487 -0.166 0.000 1.122 166 N HN 0.632 nan 8.380 nan 0.000 0.510 167 I N 3.522 123.838 120.570 -0.422 0.000 2.278 167 I HA 0.028 4.197 4.170 -0.002 0.000 0.296 167 I C 1.618 177.471 176.117 -0.441 0.000 1.121 167 I CA -0.118 60.802 61.300 -0.633 0.000 1.267 167 I CB 1.076 38.700 38.000 -0.627 0.000 1.447 167 I HN 0.449 nan 8.210 nan 0.000 0.509 168 Q N 5.302 124.842 119.800 -0.433 0.000 2.226 168 Q HA -0.024 4.315 4.340 -0.002 0.000 0.199 168 Q C 0.256 176.038 176.000 -0.362 0.000 0.945 168 Q CA 1.218 56.832 55.803 -0.314 0.000 0.861 168 Q CB 0.484 29.077 28.738 -0.241 0.000 0.953 168 Q HN 0.872 nan 8.270 nan 0.000 0.490 169 N N -2.583 115.828 118.700 -0.481 0.000 3.512 169 N HA 0.215 4.954 4.740 -0.002 0.000 0.360 169 N C -0.824 174.388 175.510 -0.496 0.000 1.593 169 N CA -0.542 52.195 53.050 -0.523 0.000 0.672 169 N CB -0.219 37.904 38.487 -0.607 0.000 2.105 169 N HN -0.094 nan 8.380 nan 0.000 0.645 170 F N -0.967 118.980 119.950 -0.005 0.000 2.818 170 F HA 0.449 4.974 4.527 -0.002 0.000 0.369 170 F C -0.119 175.913 175.800 0.387 0.000 1.327 170 F CA -0.336 57.883 58.000 0.365 0.000 1.211 170 F CB -0.436 38.762 39.000 0.330 0.000 1.036 170 F HN 0.716 nan 8.300 nan 0.000 0.510 171 H N -2.150 117.226 119.070 0.510 0.000 5.144 171 H HA 0.206 4.761 4.556 -0.002 0.000 0.091 171 H C 1.633 177.147 175.328 0.309 0.000 1.295 171 H CA 0.187 56.454 56.048 0.364 0.000 0.628 171 H CB -0.500 29.401 29.762 0.232 0.000 1.510 171 H HN -0.115 nan 8.280 nan 0.000 0.109 172 I N 0.188 120.936 120.570 0.297 0.000 2.394 172 I HA 0.073 4.242 4.170 -0.002 0.000 0.251 172 I C 1.035 177.195 176.117 0.073 0.000 1.136 172 I CA 1.555 62.978 61.300 0.206 0.000 1.425 172 I CB -0.517 37.609 38.000 0.209 0.000 1.079 172 I HN 0.251 nan 8.210 nan 0.000 0.425 173 S N -0.303 115.326 115.700 -0.118 0.000 2.859 173 S HA 0.153 4.622 4.470 -0.002 0.000 0.245 173 S C 0.166 174.545 174.600 -0.368 0.000 1.008 173 S CA -0.062 57.993 58.200 -0.241 0.000 1.089 173 S CB -0.918 62.066 63.200 -0.360 0.000 0.798 173 S HN 0.650 nan 8.310 nan 0.000 0.477 174 W N 0.183 121.512 121.300 0.048 0.000 2.702 174 W HA 0.365 5.024 4.660 -0.002 0.000 0.369 174 W C 1.688 178.344 176.519 0.228 0.000 0.987 174 W CA -0.683 56.730 57.345 0.115 0.000 1.702 174 W CB 0.364 30.017 29.460 0.322 0.000 1.138 174 W HN 0.133 nan 8.180 nan 0.000 0.552 175 K N 1.427 122.032 120.400 0.342 0.000 2.296 175 K HA -0.138 4.181 4.320 -0.002 0.000 0.200 175 K C 1.657 178.397 176.600 0.232 0.000 1.048 175 K CA 1.594 58.046 56.287 0.275 0.000 0.966 175 K CB -0.121 32.490 32.500 0.185 0.000 0.754 175 K HN 0.224 nan 8.250 nan 0.000 0.466 176 D N -0.596 119.918 120.400 0.190 0.000 2.149 176 D HA -0.178 4.461 4.640 -0.002 0.000 0.198 176 D C 1.446 177.882 176.300 0.228 0.000 0.990 176 D CA 1.604 55.700 54.000 0.160 0.000 0.839 176 D CB -0.253 40.604 40.800 0.094 0.000 0.948 176 D HN 0.395 nan 8.370 nan 0.000 0.460 177 G N 1.351 110.367 108.800 0.360 0.000 2.458 177 G HA2 -0.407 3.552 3.960 -0.002 0.000 0.237 177 G HA3 -0.407 3.552 3.960 -0.002 0.000 0.237 177 G C 1.353 176.491 174.900 0.397 0.000 1.113 177 G CA 0.621 46.016 45.100 0.492 0.000 0.655 177 G HN 0.416 nan 8.290 nan 0.000 0.513 178 L N 1.056 122.426 121.223 0.245 0.000 2.034 178 L HA -0.121 4.218 4.340 -0.002 0.000 0.217 178 L C 3.227 180.216 176.870 0.197 0.000 1.077 178 L CA 2.210 57.169 54.840 0.197 0.000 0.769 178 L CB -1.147 41.006 42.059 0.156 0.000 0.890 178 L HN 0.477 nan 8.230 nan 0.000 0.435 179 G N -0.097 108.785 108.800 0.137 0.000 2.547 179 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.221 179 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.221 179 G C 1.261 176.178 174.900 0.029 0.000 1.140 179 G CA 1.155 46.285 45.100 0.049 0.000 0.760 179 G HN 0.211 nan 8.290 nan 0.000 0.583 180 F N 0.734 120.885 119.950 0.335 0.000 2.031 180 F HA -0.063 4.463 4.527 -0.002 0.000 0.295 180 F C 3.162 179.028 175.800 0.110 0.000 1.133 180 F CA 1.077 59.175 58.000 0.164 0.000 1.188 180 F CB -1.222 37.818 39.000 0.068 0.000 0.974 180 F HN 0.152 nan 8.300 nan 0.000 0.473 181 C N 0.412 119.870 119.300 0.263 0.000 2.391 181 C HA -0.247 4.211 4.460 -0.002 0.000 0.276 181 C C 3.108 178.240 174.990 0.236 0.000 1.217 181 C CA 1.000 60.137 59.018 0.198 0.000 1.766 181 C CB -1.788 26.048 27.740 0.159 0.000 2.046 181 C HN 0.560 nan 8.230 nan 0.000 0.475 182 A N -0.068 122.888 122.820 0.227 0.000 1.873 182 A HA -0.082 4.237 4.320 -0.002 0.000 0.215 182 A C 2.036 179.686 177.584 0.109 0.000 1.186 182 A CA 1.561 53.704 52.037 0.177 0.000 0.616 182 A CB -0.705 18.348 19.000 0.087 0.000 0.823 182 A HN 0.475 nan 8.150 nan 0.000 0.442 183 L N 0.180 121.439 121.223 0.061 0.000 2.079 183 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 183 L C 2.182 179.082 176.870 0.049 0.000 1.081 183 L CA 1.711 56.552 54.840 0.002 0.000 0.752 183 L CB -0.419 41.626 42.059 -0.024 0.000 0.896 183 L HN 0.462 nan 8.230 nan 0.000 0.433 184 I N -1.412 119.242 120.570 0.141 0.000 2.142 184 I HA -0.332 3.837 4.170 -0.002 0.000 0.240 184 I C 2.516 178.745 176.117 0.187 0.000 1.078 184 I CA 1.548 62.993 61.300 0.243 0.000 1.343 184 I CB -0.750 37.410 38.000 0.266 0.000 1.046 184 I HN 0.388 nan 8.210 nan 0.000 0.405 185 H N 1.707 120.836 119.070 0.098 0.000 2.489 185 H HA -0.090 4.465 4.556 -0.002 0.000 0.295 185 H C 1.916 177.247 175.328 0.005 0.000 1.082 185 H CA 1.132 57.237 56.048 0.096 0.000 1.295 185 H CB 0.238 30.128 29.762 0.213 0.000 1.380 185 H HN 0.175 nan 8.280 nan 0.000 0.548 186 R N -0.542 119.935 120.500 -0.039 0.000 2.240 186 R HA -0.006 4.333 4.340 -0.002 0.000 0.203 186 R C 1.731 177.798 176.300 -0.388 0.000 1.011 186 R CA 0.324 56.264 56.100 -0.266 0.000 1.007 186 R CB -0.297 29.750 30.300 -0.421 0.000 0.911 186 R HN 0.570 nan 8.270 nan 0.000 0.468 187 H N 0.122 119.183 119.070 -0.014 0.000 2.388 187 H HA 0.237 4.792 4.556 -0.002 0.000 0.304 187 H C 0.278 175.615 175.328 0.014 0.000 1.049 187 H CA 0.530 56.602 56.048 0.039 0.000 1.371 187 H CB 0.632 30.486 29.762 0.154 0.000 1.436 187 H HN -0.182 nan 8.280 nan 0.000 0.544 188 R N 1.732 122.273 120.500 0.068 0.000 2.363 188 R HA 0.186 4.525 4.340 -0.002 0.000 0.297 188 R C -2.186 173.969 176.300 -0.241 0.000 1.208 188 R CA -1.582 54.483 56.100 -0.057 0.000 1.121 188 R CB 1.327 31.583 30.300 -0.072 0.000 1.124 188 R HN 0.251 nan 8.270 nan 0.000 0.561 189 P HA -0.053 nan 4.420 nan 0.000 0.245 189 P C 0.711 177.776 177.300 -0.391 0.000 1.206 189 P CA 0.599 63.200 63.100 -0.832 0.000 0.781 189 P CB 0.581 32.005 31.700 -0.460 0.000 0.994 190 E N 0.924 121.023 120.200 -0.169 0.000 2.075 190 E HA -0.044 4.304 4.350 -0.002 0.000 0.190 190 E C 2.048 178.643 176.600 -0.009 0.000 0.969 190 E CA 0.612 56.981 56.400 -0.052 0.000 0.815 190 E CB -1.242 28.442 29.700 -0.026 0.000 0.776 190 E HN 0.207 nan 8.360 nan 0.000 0.457 191 L N 0.259 121.466 121.223 -0.027 0.000 1.948 191 L HA -0.017 4.322 4.340 -0.002 0.000 0.212 191 L C 1.663 178.528 176.870 -0.008 0.000 1.074 191 L CA 0.906 55.737 54.840 -0.015 0.000 0.753 191 L CB -0.411 41.566 42.059 -0.136 0.000 0.888 191 L HN 0.140 nan 8.230 nan 0.000 0.432 192 I N -0.675 119.883 120.570 -0.020 0.000 2.707 192 I HA 0.203 4.372 4.170 -0.002 0.000 0.309 192 I C -0.271 175.923 176.117 0.128 0.000 1.001 192 I CA -0.730 60.582 61.300 0.021 0.000 1.129 192 I CB 1.467 39.452 38.000 -0.026 0.000 1.308 192 I HN 0.045 nan 8.210 nan 0.000 0.466 193 D N 2.750 123.205 120.400 0.091 0.000 2.329 193 D HA 0.042 4.681 4.640 -0.002 0.000 0.246 193 D C 0.464 176.767 176.300 0.006 0.000 1.111 193 D CA 0.233 54.288 54.000 0.092 0.000 0.941 193 D CB 0.607 41.406 40.800 -0.002 0.000 1.169 193 D HN 0.455 nan 8.370 nan 0.000 0.441 194 Y N 2.063 122.145 120.300 -0.364 0.000 2.206 194 Y HA 0.123 4.672 4.550 -0.002 0.000 0.292 194 Y C 1.962 177.654 175.900 -0.347 0.000 1.123 194 Y CA 2.019 59.812 58.100 -0.511 0.000 1.142 194 Y CB -0.605 37.218 38.460 -1.062 0.000 1.006 194 Y HN 0.471 nan 8.280 nan 0.000 0.518 195 G N 0.628 109.027 108.800 -0.669 0.000 2.476 195 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.218 195 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.218 195 G C 1.656 176.292 174.900 -0.440 0.000 1.164 195 G CA 1.242 45.978 45.100 -0.606 0.000 0.768 195 G HN 0.428 nan 8.290 nan 0.000 0.560 196 K N 0.033 120.267 120.400 -0.276 0.000 2.209 196 K HA 0.124 4.443 4.320 -0.002 0.000 0.204 196 K C 2.118 178.610 176.600 -0.181 0.000 1.048 196 K CA 0.519 56.697 56.287 -0.182 0.000 0.940 196 K CB -0.165 32.269 32.500 -0.109 0.000 0.729 196 K HN 0.293 nan 8.250 nan 0.000 0.451 197 L N 0.506 121.591 121.223 -0.229 0.000 2.591 197 L HA 0.093 4.432 4.340 -0.002 0.000 0.228 197 L C 1.904 178.666 176.870 -0.180 0.000 1.133 197 L CA 0.168 54.916 54.840 -0.153 0.000 0.880 197 L CB -0.071 41.937 42.059 -0.086 0.000 1.033 197 L HN 0.112 nan 8.230 nan 0.000 0.450 198 R N 0.991 121.301 120.500 -0.316 0.000 2.546 198 R HA 0.128 4.467 4.340 -0.002 0.000 0.320 198 R C 0.189 176.389 176.300 -0.166 0.000 1.021 198 R CA 0.043 55.977 56.100 -0.276 0.000 1.088 198 R CB 0.432 30.365 30.300 -0.612 0.000 1.278 198 R HN 0.121 nan 8.270 nan 0.000 0.557 199 K N 0.752 121.074 120.400 -0.129 0.000 3.123 199 K HA 0.202 4.521 4.320 -0.002 0.000 0.209 199 K C -1.311 175.262 176.600 -0.045 0.000 1.132 199 K CA -0.192 56.051 56.287 -0.075 0.000 0.992 199 K CB 0.879 33.333 32.500 -0.077 0.000 0.773 199 K HN 0.038 nan 8.250 nan 0.000 0.458 200 D N 1.091 121.472 120.400 -0.032 0.000 2.462 200 D HA 0.090 4.729 4.640 -0.002 0.000 0.245 200 D C 0.034 176.343 176.300 0.015 0.000 1.122 200 D CA -0.182 53.814 54.000 -0.006 0.000 0.864 200 D CB 1.599 42.397 40.800 -0.002 0.000 1.098 200 D HN 0.156 nan 8.370 nan 0.000 0.541 201 D N 1.104 121.515 120.400 0.019 0.000 2.178 201 D HA -0.036 4.603 4.640 -0.002 0.000 0.202 201 D C -1.239 175.086 176.300 0.041 0.000 0.974 201 D CA 0.541 54.559 54.000 0.030 0.000 0.841 201 D CB -0.212 40.604 40.800 0.027 0.000 0.953 201 D HN 0.365 nan 8.370 nan 0.000 0.478 202 P HA 0.097 nan 4.420 nan 0.000 0.244 202 P C 0.890 178.230 177.300 0.068 0.000 1.769 202 P CA -0.077 63.053 63.100 0.050 0.000 1.102 202 P CB 0.532 32.258 31.700 0.043 0.000 1.937 203 L N 2.602 123.872 121.223 0.078 0.000 1.997 203 L HA -0.211 4.128 4.340 -0.002 0.000 0.216 203 L C 2.492 179.432 176.870 0.117 0.000 1.074 203 L CA 2.846 57.750 54.840 0.106 0.000 0.763 203 L CB -1.838 40.282 42.059 0.102 0.000 0.890 203 L HN 0.318 nan 8.230 nan 0.000 0.434 204 T N -4.507 110.102 114.554 0.091 0.000 3.148 204 T HA 0.020 4.369 4.350 -0.002 0.000 0.253 204 T C 0.788 175.536 174.700 0.080 0.000 1.134 204 T CA 0.665 62.816 62.100 0.085 0.000 1.051 204 T CB -0.615 68.291 68.868 0.062 0.000 0.959 204 T HN 0.405 nan 8.240 nan 0.000 0.525 205 N N 0.222 118.973 118.700 0.085 0.000 2.517 205 N HA 0.377 5.116 4.740 -0.002 0.000 0.285 205 N C 0.148 175.714 175.510 0.094 0.000 1.528 205 N CA -0.179 52.918 53.050 0.078 0.000 0.892 205 N CB 0.617 39.136 38.487 0.054 0.000 1.356 205 N HN 0.207 nan 8.380 nan 0.000 0.495 206 L N 0.417 121.721 121.223 0.134 0.000 2.682 206 L HA 0.148 4.487 4.340 -0.002 0.000 0.240 206 L C 1.259 178.197 176.870 0.114 0.000 1.178 206 L CA -0.014 54.902 54.840 0.126 0.000 0.970 206 L CB -0.218 41.937 42.059 0.160 0.000 1.179 206 L HN 0.332 nan 8.230 nan 0.000 0.435 207 N N 0.330 119.122 118.700 0.152 0.000 2.417 207 N HA -0.192 4.547 4.740 -0.002 0.000 0.187 207 N C 2.030 177.574 175.510 0.056 0.000 1.027 207 N CA 1.785 54.957 53.050 0.203 0.000 0.891 207 N CB -0.125 38.464 38.487 0.171 0.000 0.956 207 N HN 0.514 nan 8.380 nan 0.000 0.442 208 T N -0.947 113.609 114.554 0.003 0.000 2.685 208 T HA -0.236 4.113 4.350 -0.002 0.000 0.268 208 T C 1.990 176.624 174.700 -0.110 0.000 1.034 208 T CA 1.751 63.834 62.100 -0.029 0.000 1.149 208 T CB -0.559 68.299 68.868 -0.017 0.000 0.860 208 T HN 0.223 nan 8.240 nan 0.000 0.449 209 A N 1.968 124.645 122.820 -0.238 0.000 1.883 209 A HA -0.122 4.197 4.320 -0.002 0.000 0.222 209 A C 2.082 179.351 177.584 -0.526 0.000 1.339 209 A CA 2.382 54.145 52.037 -0.456 0.000 0.692 209 A CB -1.424 17.027 19.000 -0.915 0.000 0.845 209 A HN 0.617 nan 8.150 nan 0.000 0.467 210 F N -0.699 119.276 119.950 0.041 0.000 2.456 210 F HA 0.060 4.586 4.527 -0.002 0.000 0.298 210 F C 2.017 177.823 175.800 0.009 0.000 1.104 210 F CA 0.987 58.979 58.000 -0.013 0.000 1.435 210 F CB -0.614 38.274 39.000 -0.186 0.000 1.078 210 F HN 0.346 nan 8.300 nan 0.000 0.546 211 D N 0.379 120.828 120.400 0.081 0.000 2.162 211 D HA -0.119 4.520 4.640 -0.002 0.000 0.205 211 D C 2.341 178.710 176.300 0.115 0.000 0.964 211 D CA 1.299 55.356 54.000 0.094 0.000 0.847 211 D CB 0.056 40.906 40.800 0.083 0.000 0.988 211 D HN 0.059 nan 8.370 nan 0.000 0.480 212 V N -0.793 119.161 119.914 0.066 0.000 2.358 212 V HA -0.089 4.030 4.120 -0.002 0.000 0.246 212 V C 2.381 178.555 176.094 0.134 0.000 1.047 212 V CA 1.580 63.922 62.300 0.071 0.000 1.035 212 V CB -1.363 30.278 31.823 -0.304 0.000 0.658 212 V HN 0.187 nan 8.190 nan 0.000 0.452 213 A N 0.321 123.179 122.820 0.063 0.000 1.929 213 A HA -0.380 3.939 4.320 -0.002 0.000 0.221 213 A C 2.289 179.886 177.584 0.021 0.000 1.211 213 A CA 2.808 54.844 52.037 -0.002 0.000 0.657 213 A CB -0.889 18.031 19.000 -0.133 0.000 0.827 213 A HN 0.775 nan 8.150 nan 0.000 0.462 214 E N -0.768 119.473 120.200 0.068 0.000 1.998 214 E HA -0.229 4.119 4.350 -0.002 0.000 0.196 214 E C 2.040 178.694 176.600 0.091 0.000 1.003 214 E CA 1.614 58.057 56.400 0.071 0.000 0.829 214 E CB -0.142 29.602 29.700 0.072 0.000 0.777 214 E HN 0.402 nan 8.360 nan 0.000 0.460 215 K N -0.499 119.976 120.400 0.125 0.000 2.209 215 K HA -0.131 4.188 4.320 -0.002 0.000 0.204 215 K C 1.640 178.218 176.600 -0.037 0.000 1.048 215 K CA 1.347 57.648 56.287 0.023 0.000 0.940 215 K CB -0.181 32.292 32.500 -0.045 0.000 0.729 215 K HN 0.339 nan 8.250 nan 0.000 0.451 216 Y N -1.588 118.698 120.300 -0.023 0.000 2.462 216 Y HA 0.252 4.801 4.550 -0.002 0.000 0.253 216 Y C 1.060 176.894 175.900 -0.111 0.000 1.095 216 Y CA -0.023 58.035 58.100 -0.070 0.000 1.283 216 Y CB 0.670 39.085 38.460 -0.075 0.000 1.138 216 Y HN -0.159 nan 8.280 nan 0.000 0.522 217 L N -1.122 120.183 121.223 0.137 0.000 3.086 217 L HA 0.227 4.566 4.340 -0.002 0.000 0.274 217 L C -0.514 176.493 176.870 0.229 0.000 1.184 217 L CA -0.079 54.876 54.840 0.191 0.000 1.002 217 L CB 0.546 42.726 42.059 0.201 0.000 1.383 217 L HN -0.029 nan 8.230 nan 0.000 0.582 218 D N 2.327 122.808 120.400 0.135 0.000 2.828 218 D HA -0.141 4.498 4.640 -0.002 0.000 0.241 218 D C -0.471 175.858 176.300 0.048 0.000 1.142 218 D CA 0.773 54.830 54.000 0.094 0.000 0.755 218 D CB -0.255 40.616 40.800 0.117 0.000 1.014 218 D HN 0.072 nan 8.370 nan 0.000 0.420 219 I N 1.870 122.442 120.570 0.003 0.000 2.406 219 I HA 0.274 4.443 4.170 -0.002 0.000 0.290 219 I C -1.769 174.351 176.117 0.006 0.000 0.999 219 I CA -1.816 59.449 61.300 -0.058 0.000 1.124 219 I CB 1.573 39.441 38.000 -0.219 0.000 1.289 219 I HN -0.139 nan 8.210 nan 0.000 0.441 220 P HA 0.196 nan 4.420 nan 0.000 0.276 220 P C -0.751 176.606 177.300 0.095 0.000 1.253 220 P CA -0.489 62.640 63.100 0.048 0.000 0.766 220 P CB 0.522 32.246 31.700 0.040 0.000 0.845 221 K N 3.683 124.117 120.400 0.057 0.000 2.363 221 K HA 0.184 4.503 4.320 -0.002 0.000 0.289 221 K C 1.119 177.692 176.600 -0.044 0.000 1.063 221 K CA 0.232 56.516 56.287 -0.005 0.000 0.967 221 K CB 0.183 32.649 32.500 -0.057 0.000 0.987 221 K HN 0.481 nan 8.250 nan 0.000 0.473 222 M N 3.476 123.044 119.600 -0.053 0.000 2.383 222 M HA 0.196 4.675 4.480 -0.002 0.000 0.247 222 M C -0.347 175.861 176.300 -0.153 0.000 1.117 222 M CA 0.270 55.533 55.300 -0.061 0.000 0.995 222 M CB 0.255 32.864 32.600 0.016 0.000 1.480 222 M HN 0.421 nan 8.290 nan 0.000 0.485 223 L N -1.326 119.724 121.223 -0.288 0.000 2.671 223 L HA 0.470 4.809 4.340 -0.002 0.000 0.259 223 L C -1.074 175.524 176.870 -0.453 0.000 1.021 223 L CA -0.888 53.715 54.840 -0.393 0.000 0.871 223 L CB 2.280 43.978 42.059 -0.600 0.000 1.472 223 L HN -0.102 nan 8.230 nan 0.000 0.410 224 D N -0.541 119.602 120.400 -0.428 0.000 2.707 224 D HA 0.492 5.131 4.640 -0.002 0.000 0.223 224 D C 0.571 176.561 176.300 -0.517 0.000 1.208 224 D CA 0.047 53.811 54.000 -0.394 0.000 1.081 224 D CB 0.962 41.638 40.800 -0.205 0.000 1.216 224 D HN 0.538 nan 8.370 nan 0.000 0.633 225 A N 0.150 122.798 122.820 -0.288 0.000 1.943 225 A HA -0.054 4.265 4.320 -0.002 0.000 0.213 225 A C 1.579 179.077 177.584 -0.143 0.000 1.181 225 A CA 0.791 52.705 52.037 -0.204 0.000 0.653 225 A CB -0.371 18.612 19.000 -0.028 0.000 0.833 225 A HN 0.347 nan 8.150 nan 0.000 0.451 226 E N 1.714 121.847 120.200 -0.112 0.000 2.197 226 E HA -0.287 4.062 4.350 -0.002 0.000 0.205 226 E C 1.300 177.862 176.600 -0.063 0.000 1.029 226 E CA 1.968 58.327 56.400 -0.069 0.000 0.828 226 E CB -0.618 29.041 29.700 -0.068 0.000 0.737 226 E HN 0.925 nan 8.360 nan 0.000 0.464 227 D N 0.127 120.462 120.400 -0.109 0.000 2.278 227 D HA -0.053 4.586 4.640 -0.002 0.000 0.228 227 D C 2.033 178.291 176.300 -0.070 0.000 1.020 227 D CA -0.021 53.926 54.000 -0.088 0.000 0.922 227 D CB -0.819 39.905 40.800 -0.127 0.000 1.051 227 D HN 0.104 nan 8.370 nan 0.000 0.452 228 I N 0.445 120.899 120.570 -0.193 0.000 2.151 228 I HA -0.237 3.932 4.170 -0.002 0.000 0.243 228 I C 1.905 178.081 176.117 0.098 0.000 1.080 228 I CA 1.433 62.629 61.300 -0.173 0.000 1.339 228 I CB 0.056 37.641 38.000 -0.691 0.000 1.039 228 I HN 0.139 nan 8.210 nan 0.000 0.409 229 V N -0.742 119.218 119.914 0.077 0.000 2.690 229 V HA 0.262 4.381 4.120 -0.002 0.000 0.240 229 V C 2.430 178.607 176.094 0.138 0.000 1.078 229 V CA 0.931 63.356 62.300 0.208 0.000 1.102 229 V CB -1.498 30.470 31.823 0.242 0.000 0.800 229 V HN 0.408 nan 8.190 nan 0.000 0.479 230 G N -0.073 108.768 108.800 0.068 0.000 2.446 230 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.217 230 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.217 230 G C 1.061 175.996 174.900 0.057 0.000 1.168 230 G CA 1.664 46.795 45.100 0.051 0.000 0.771 230 G HN 0.477 nan 8.290 nan 0.000 0.551 231 T N -1.243 113.346 114.554 0.057 0.000 2.852 231 T HA 0.546 4.895 4.350 -0.002 0.000 0.281 231 T C 1.539 176.284 174.700 0.075 0.000 0.993 231 T CA 0.376 62.508 62.100 0.054 0.000 0.933 231 T CB 1.378 70.270 68.868 0.039 0.000 1.187 231 T HN 0.180 nan 8.240 nan 0.000 0.559 232 A N 0.632 123.491 122.820 0.064 0.000 1.993 232 A HA 0.380 4.699 4.320 -0.002 0.000 0.207 232 A C 0.978 178.609 177.584 0.078 0.000 1.224 232 A CA 0.243 52.321 52.037 0.067 0.000 0.749 232 A CB 0.221 19.249 19.000 0.047 0.000 0.884 232 A HN 0.671 nan 8.150 nan 0.000 0.467 233 R N 0.639 121.180 120.500 0.068 0.000 2.487 233 R HA 0.380 4.719 4.340 -0.002 0.000 0.288 233 R C -2.973 173.373 176.300 0.077 0.000 1.394 233 R CA -1.443 54.697 56.100 0.066 0.000 1.155 233 R CB 1.258 31.571 30.300 0.022 0.000 1.156 233 R HN 0.222 nan 8.270 nan 0.000 0.553 234 P HA 0.061 nan 4.420 nan 0.000 0.277 234 P C -0.773 176.602 177.300 0.126 0.000 1.276 234 P CA -0.490 62.692 63.100 0.136 0.000 0.788 234 P CB 0.635 32.462 31.700 0.212 0.000 1.114 235 D N -0.565 119.896 120.400 0.103 0.000 2.225 235 D HA 0.002 4.641 4.640 -0.002 0.000 0.248 235 D C 0.993 177.390 176.300 0.162 0.000 1.096 235 D CA -0.206 53.850 54.000 0.094 0.000 0.863 235 D CB 0.656 41.481 40.800 0.042 0.000 1.156 235 D HN 0.229 nan 8.370 nan 0.000 0.450 236 E N 2.973 123.293 120.200 0.199 0.000 2.150 236 E HA -0.172 4.177 4.350 -0.002 0.000 0.193 236 E C 0.801 177.476 176.600 0.124 0.000 0.985 236 E CA 1.206 57.787 56.400 0.302 0.000 0.814 236 E CB 0.322 30.215 29.700 0.323 0.000 0.752 236 E HN 0.508 nan 8.360 nan 0.000 0.466 237 K N -0.357 120.074 120.400 0.052 0.000 2.128 237 K HA 0.122 4.441 4.320 -0.002 0.000 0.202 237 K C 2.144 178.714 176.600 -0.051 0.000 1.050 237 K CA 0.738 57.014 56.287 -0.017 0.000 0.966 237 K CB 0.022 32.525 32.500 0.006 0.000 0.759 237 K HN 0.010 nan 8.250 nan 0.000 0.454 238 A N 1.446 124.255 122.820 -0.019 0.000 1.897 238 A HA -0.065 4.254 4.320 -0.002 0.000 0.215 238 A C 2.110 179.683 177.584 -0.019 0.000 1.181 238 A CA 1.096 53.120 52.037 -0.022 0.000 0.620 238 A CB -0.540 18.445 19.000 -0.024 0.000 0.821 238 A HN 0.133 nan 8.150 nan 0.000 0.443 239 I N -0.906 119.661 120.570 -0.005 0.000 2.315 239 I HA -0.253 3.916 4.170 -0.002 0.000 0.248 239 I C 2.675 178.732 176.117 -0.099 0.000 1.117 239 I CA 1.677 62.988 61.300 0.017 0.000 1.404 239 I CB -0.276 37.799 38.000 0.126 0.000 1.071 239 I HN 0.466 nan 8.210 nan 0.000 0.419 240 M N 0.977 120.359 119.600 -0.363 0.000 2.108 240 M HA -0.234 4.245 4.480 -0.002 0.000 0.261 240 M C 2.422 178.537 176.300 -0.308 0.000 1.066 240 M CA 2.501 57.361 55.300 -0.733 0.000 1.107 240 M CB -0.304 31.737 32.600 -0.931 0.000 1.356 240 M HN 0.372 nan 8.290 nan 0.000 0.406 241 T N -1.812 112.657 114.554 -0.142 0.000 2.833 241 T HA -0.214 4.135 4.350 -0.002 0.000 0.269 241 T C 1.588 176.290 174.700 0.002 0.000 1.054 241 T CA 1.392 63.463 62.100 -0.048 0.000 1.135 241 T CB -0.947 67.913 68.868 -0.014 0.000 0.869 241 T HN 0.568 nan 8.240 nan 0.000 0.466 242 Y N 3.248 123.502 120.300 -0.076 0.000 2.109 242 Y HA -0.072 4.477 4.550 -0.002 0.000 0.285 242 Y C 2.660 178.608 175.900 0.080 0.000 1.131 242 Y CA 1.411 59.490 58.100 -0.035 0.000 1.121 242 Y CB -0.791 37.612 38.460 -0.095 0.000 0.987 242 Y HN 0.133 nan 8.280 nan 0.000 0.495 243 V N -0.685 119.148 119.914 -0.136 0.000 2.392 243 V HA -0.237 3.882 4.120 -0.002 0.000 0.249 243 V C 2.145 178.244 176.094 0.008 0.000 1.059 243 V CA 2.423 64.618 62.300 -0.176 0.000 1.051 243 V CB -1.667 29.885 31.823 -0.453 0.000 0.658 243 V HN 0.554 nan 8.190 nan 0.000 0.455 244 S N -0.208 115.518 115.700 0.043 0.000 2.461 244 S HA -0.068 4.401 4.470 -0.002 0.000 0.228 244 S C 1.939 176.617 174.600 0.131 0.000 1.005 244 S CA 1.186 59.484 58.200 0.163 0.000 0.942 244 S CB -0.372 62.869 63.200 0.069 0.000 0.776 244 S HN 0.608 nan 8.310 nan 0.000 0.514 245 S N 1.296 117.008 115.700 0.021 0.000 2.371 245 S HA 0.162 4.631 4.470 -0.002 0.000 0.224 245 S C 1.069 175.558 174.600 -0.186 0.000 1.029 245 S CA 0.537 58.715 58.200 -0.036 0.000 0.978 245 S CB -0.574 62.584 63.200 -0.070 0.000 0.833 245 S HN 0.518 nan 8.310 nan 0.000 0.466 246 F N 1.245 121.043 119.950 -0.254 0.000 2.605 246 F HA -0.008 4.518 4.527 -0.002 0.000 0.296 246 F C 1.526 177.288 175.800 -0.064 0.000 1.146 246 F CA -0.359 57.542 58.000 -0.164 0.000 1.478 246 F CB -0.684 38.233 39.000 -0.138 0.000 1.107 246 F HN 0.260 nan 8.300 nan 0.000 0.600 247 Y N 0.449 120.707 120.300 -0.071 0.000 2.134 247 Y HA -0.212 4.337 4.550 -0.002 0.000 0.283 247 Y C 3.009 178.748 175.900 -0.267 0.000 1.108 247 Y CA 2.318 60.323 58.100 -0.159 0.000 1.096 247 Y CB -0.774 37.580 38.460 -0.175 0.000 1.005 247 Y HN 0.216 nan 8.280 nan 0.000 0.487 248 H N -0.669 118.335 119.070 -0.110 0.000 2.403 248 H HA 0.229 4.784 4.556 -0.002 0.000 0.298 248 H C 1.204 176.408 175.328 -0.207 0.000 1.059 248 H CA 0.742 56.691 56.048 -0.165 0.000 1.363 248 H CB -1.114 28.637 29.762 -0.018 0.000 1.410 248 H HN 0.296 nan 8.280 nan 0.000 0.528 249 A N 1.374 123.978 122.820 -0.360 0.000 3.092 249 A HA 0.245 4.564 4.320 -0.002 0.000 0.278 249 A C -0.791 176.789 177.584 -0.007 0.000 1.956 249 A CA -0.143 51.800 52.037 -0.157 0.000 1.501 249 A CB -2.400 16.556 19.000 -0.073 0.000 0.977 249 A HN 0.451 nan 8.150 nan 0.000 0.607 250 F N -0.474 119.407 119.950 -0.115 0.000 2.278 250 F HA -0.191 4.335 4.527 -0.002 0.000 0.475 250 F C 1.023 176.413 175.800 -0.684 0.000 1.224 250 F CA 0.545 58.442 58.000 -0.172 0.000 1.526 250 F CB -2.372 36.625 39.000 -0.004 0.000 2.372 250 F HN 0.513 nan 8.300 nan 0.000 0.748 251 S N 1.723 117.053 115.700 -0.616 0.000 3.399 251 S HA 0.162 4.631 4.470 -0.002 0.000 0.175 251 S C 0.900 175.399 174.600 -0.168 0.000 0.443 251 S CA 1.336 59.423 58.200 -0.188 0.000 1.391 251 S CB -0.833 62.261 63.200 -0.177 0.000 0.864 251 S HN 1.987 nan 8.310 nan 0.000 0.289 252 G N -0.671 108.150 108.800 0.035 0.000 2.481 252 G HA2 0.427 4.386 3.960 -0.002 0.000 0.234 252 G HA3 0.427 4.386 3.960 -0.002 0.000 0.234 252 G C -0.438 174.628 174.900 0.277 0.000 2.038 252 G CA -0.273 45.013 45.100 0.309 0.000 0.899 252 G HN 1.037 nan 8.290 nan 0.000 0.543 253 A N 0.596 123.592 122.820 0.294 0.000 2.354 253 A HA 0.898 5.217 4.320 -0.002 0.000 0.321 253 A C -0.072 177.626 177.584 0.189 0.000 1.125 253 A CA -0.721 51.432 52.037 0.194 0.000 0.799 253 A CB 1.251 20.347 19.000 0.160 0.000 1.293 253 A HN 0.329 nan 8.150 nan 0.000 0.452 254 Q N 0.878 120.739 119.800 0.101 0.000 2.294 254 Q HA 0.367 4.706 4.340 -0.002 0.000 0.257 254 Q C -0.492 175.537 176.000 0.047 0.000 0.955 254 Q CA 0.306 56.151 55.803 0.069 0.000 0.936 254 Q CB 1.217 29.982 28.738 0.046 0.000 1.188 254 Q HN 0.705 nan 8.270 nan 0.000 0.420 255 K N 0.641 121.069 120.400 0.045 0.000 2.972 255 K HA 0.309 4.628 4.320 -0.002 0.000 0.187 255 K C 0.165 176.775 176.600 0.017 0.000 1.122 255 K CA 0.156 56.458 56.287 0.025 0.000 1.080 255 K CB 0.363 32.883 32.500 0.033 0.000 0.720 255 K HN 0.560 nan 8.250 nan 0.000 0.429 256 A N 0.691 123.523 122.820 0.020 0.000 1.878 256 A HA 0.072 4.391 4.320 -0.002 0.000 0.215 256 A C 0.214 177.803 177.584 0.008 0.000 1.310 256 A CA 0.593 52.640 52.037 0.016 0.000 0.612 256 A CB -0.169 18.844 19.000 0.021 0.000 0.989 256 A HN 0.336 nan 8.150 nan 0.000 0.472 257 E N 2.052 122.257 120.200 0.008 0.000 2.463 257 E HA 0.022 4.371 4.350 -0.002 0.000 0.248 257 E C 1.049 177.649 176.600 0.001 0.000 1.106 257 E CA 0.790 57.192 56.400 0.004 0.000 0.946 257 E CB -0.128 29.575 29.700 0.006 0.000 0.971 257 E HN 0.609 nan 8.360 nan 0.000 0.478 258 T N -0.075 114.474 114.554 -0.009 0.000 2.915 258 T HA 0.006 4.355 4.350 -0.002 0.000 0.269 258 T C 0.894 175.589 174.700 -0.009 0.000 1.071 258 T CA 0.610 62.703 62.100 -0.012 0.000 1.132 258 T CB 0.251 69.103 68.868 -0.027 0.000 0.878 258 T HN 0.414 nan 8.240 nan 0.000 0.479 259 A N 0.467 123.283 122.820 -0.008 0.000 2.292 259 A HA 0.771 5.090 4.320 -0.002 0.000 0.319 259 A C 0.782 178.367 177.584 0.000 0.000 1.206 259 A CA -0.294 51.742 52.037 -0.003 0.000 0.835 259 A CB 0.078 19.079 19.000 0.002 0.000 1.164 259 A HN 1.693 nan 8.150 nan 0.000 0.505 260 A N 2.413 125.231 122.820 -0.004 0.000 3.332 260 A HA -0.142 4.177 4.320 -0.002 0.000 0.264 260 A C 0.123 177.705 177.584 -0.002 0.000 1.338 260 A CA 0.555 52.589 52.037 -0.005 0.000 0.753 260 A CB -2.354 16.645 19.000 -0.001 0.000 1.025 260 A HN 1.753 nan 8.150 nan 0.000 0.476 261 N N 0.891 119.579 118.700 -0.020 0.000 2.276 261 N HA 0.075 4.814 4.740 -0.002 0.000 0.279 261 N C 0.704 176.190 175.510 -0.038 0.000 1.379 261 N CA 0.740 53.770 53.050 -0.035 0.000 0.886 261 N CB -0.019 38.414 38.487 -0.091 0.000 1.199 261 N HN 0.680 nan 8.380 nan 0.000 0.493 262 R N 3.309 123.813 120.500 0.007 0.000 2.544 262 R HA -0.210 4.129 4.340 -0.002 0.000 0.227 262 R C -0.573 175.730 176.300 0.004 0.000 0.776 262 R CA 0.222 56.323 56.100 0.003 0.000 0.538 262 R CB -1.139 29.092 30.300 -0.115 0.000 1.265 262 R HN 0.592 nan 8.270 nan 0.000 0.528 263 I N 1.851 122.435 120.570 0.023 0.000 2.529 263 I HA 0.013 4.182 4.170 -0.002 0.000 0.284 263 I C 1.092 177.228 176.117 0.032 0.000 1.082 263 I CA -0.219 61.097 61.300 0.026 0.000 1.406 263 I CB 1.014 39.024 38.000 0.017 0.000 1.405 263 I HN 0.351 nan 8.210 nan 0.000 0.548 264 C N 7.146 126.461 119.300 0.025 0.000 2.470 264 C HA 0.488 4.947 4.460 -0.002 0.000 0.341 264 C C 0.795 175.797 174.990 0.019 0.000 1.190 264 C CA -0.442 58.588 59.018 0.021 0.000 1.904 264 C CB 1.318 29.062 27.740 0.006 0.000 2.354 264 C HN 0.852 nan 8.230 nan 0.000 0.509 265 K N 1.661 122.072 120.400 0.019 0.000 4.643 265 K HA 0.537 4.856 4.320 -0.002 0.000 0.226 265 K C -0.799 175.819 176.600 0.030 0.000 1.147 265 K CA 0.209 56.508 56.287 0.020 0.000 1.941 265 K CB -0.314 32.194 32.500 0.014 0.000 2.803 265 K HN 0.568 nan 8.250 nan 0.000 0.590 266 V N 2.257 122.187 119.914 0.026 0.000 2.876 266 V HA 0.333 4.452 4.120 -0.002 0.000 0.312 266 V C -0.745 175.352 176.094 0.004 0.000 1.085 266 V CA -1.091 61.226 62.300 0.028 0.000 0.945 266 V CB 2.491 34.340 31.823 0.044 0.000 1.017 266 V HN 0.279 nan 8.190 nan 0.000 0.428 267 L N 3.748 124.966 121.223 -0.008 0.000 2.261 267 L HA 0.766 5.105 4.340 -0.002 0.000 0.289 267 L C 0.558 177.406 176.870 -0.036 0.000 1.059 267 L CA 1.181 56.008 54.840 -0.022 0.000 0.816 267 L CB 0.185 42.230 42.059 -0.023 0.000 1.191 267 L HN 1.140 nan 8.230 nan 0.000 0.431 268 A N 4.203 127.002 122.820 -0.036 0.000 3.432 268 A HA -0.129 4.190 4.320 -0.002 0.000 0.197 268 A C 1.169 178.736 177.584 -0.029 0.000 1.274 268 A CA 0.378 52.391 52.037 -0.041 0.000 1.687 268 A CB -1.112 17.858 19.000 -0.050 0.000 0.683 268 A HN 0.355 nan 8.150 nan 0.000 0.465 269 V N 2.215 122.117 119.914 -0.019 0.000 2.944 269 V HA -0.290 3.829 4.120 -0.002 0.000 0.265 269 V C 1.949 178.026 176.094 -0.028 0.000 1.125 269 V CA 2.661 64.950 62.300 -0.018 0.000 1.145 269 V CB -1.239 30.577 31.823 -0.012 0.000 0.725 269 V HN 0.691 nan 8.190 nan 0.000 0.510 270 N N -0.077 118.604 118.700 -0.033 0.000 2.216 270 N HA -0.131 4.608 4.740 -0.002 0.000 0.183 270 N C 1.860 177.345 175.510 -0.043 0.000 1.017 270 N CA 0.901 53.927 53.050 -0.040 0.000 0.861 270 N CB -0.207 38.257 38.487 -0.038 0.000 0.986 270 N HN 0.489 nan 8.380 nan 0.000 0.428 271 Q N 1.063 120.840 119.800 -0.037 0.000 2.123 271 Q HA -0.119 4.220 4.340 -0.002 0.000 0.199 271 Q C 1.699 177.678 176.000 -0.036 0.000 0.966 271 Q CA 1.002 56.783 55.803 -0.036 0.000 0.845 271 Q CB -0.404 28.315 28.738 -0.032 0.000 0.907 271 Q HN 0.677 nan 8.270 nan 0.000 0.439 272 E N 1.504 121.684 120.200 -0.034 0.000 2.007 272 E HA -0.209 4.140 4.350 -0.002 0.000 0.194 272 E C 1.489 178.059 176.600 -0.049 0.000 0.999 272 E CA 1.320 57.699 56.400 -0.035 0.000 0.811 272 E CB -0.747 28.937 29.700 -0.027 0.000 0.762 272 E HN 0.470 nan 8.360 nan 0.000 0.450 273 N N 0.433 119.100 118.700 -0.055 0.000 2.300 273 N HA -0.102 4.637 4.740 -0.002 0.000 0.179 273 N C 1.085 176.529 175.510 -0.109 0.000 1.016 273 N CA 0.647 53.654 53.050 -0.072 0.000 0.876 273 N CB 0.211 38.663 38.487 -0.060 0.000 0.979 273 N HN 0.055 nan 8.380 nan 0.000 0.432 274 E N 0.110 120.246 120.200 -0.105 0.000 2.479 274 E HA 0.063 4.412 4.350 -0.002 0.000 0.193 274 E C 1.185 177.706 176.600 -0.131 0.000 1.049 274 E CA 0.125 56.443 56.400 -0.138 0.000 0.870 274 E CB 0.398 30.037 29.700 -0.101 0.000 0.944 274 E HN 0.341 nan 8.360 nan 0.000 0.492 275 Q N -0.380 119.361 119.800 -0.097 0.000 2.250 275 Q HA 0.001 4.340 4.340 -0.002 0.000 0.200 275 Q C 1.392 177.342 176.000 -0.084 0.000 0.941 275 Q CA 0.387 56.144 55.803 -0.077 0.000 0.872 275 Q CB 0.163 28.873 28.738 -0.047 0.000 0.965 275 Q HN 0.224 nan 8.270 nan 0.000 0.480 276 L N 0.579 121.746 121.223 -0.094 0.000 2.013 276 L HA -0.249 4.090 4.340 -0.002 0.000 0.212 276 L C 2.379 179.150 176.870 -0.166 0.000 1.073 276 L CA 1.734 56.523 54.840 -0.084 0.000 0.753 276 L CB -0.624 41.390 42.059 -0.075 0.000 0.890 276 L HN 0.314 nan 8.230 nan 0.000 0.432 277 M N -1.341 118.028 119.600 -0.386 0.000 2.195 277 M HA -0.250 4.229 4.480 -0.002 0.000 0.260 277 M C 2.176 178.199 176.300 -0.462 0.000 1.066 277 M CA 1.690 56.478 55.300 -0.853 0.000 1.089 277 M CB -0.041 32.099 32.600 -0.766 0.000 1.377 277 M HN 0.272 nan 8.290 nan 0.000 0.411 278 E N -0.017 120.086 120.200 -0.162 0.000 2.102 278 E HA -0.155 4.194 4.350 -0.002 0.000 0.190 278 E C 1.552 178.184 176.600 0.054 0.000 0.971 278 E CA 0.760 57.149 56.400 -0.018 0.000 0.821 278 E CB -0.259 29.428 29.700 -0.022 0.000 0.777 278 E HN 0.511 nan 8.360 nan 0.000 0.460 279 D N -0.104 120.320 120.400 0.040 0.000 2.106 279 D HA -0.222 4.417 4.640 -0.002 0.000 0.191 279 D C 1.894 178.256 176.300 0.103 0.000 0.997 279 D CA 1.040 55.075 54.000 0.057 0.000 0.834 279 D CB -0.218 40.607 40.800 0.043 0.000 0.956 279 D HN 0.183 nan 8.370 nan 0.000 0.448 280 Y N 1.744 122.105 120.300 0.101 0.000 2.114 280 Y HA -0.234 4.315 4.550 -0.002 0.000 0.282 280 Y C 2.338 178.352 175.900 0.190 0.000 1.165 280 Y CA 1.940 60.158 58.100 0.196 0.000 1.148 280 Y CB -0.150 38.553 38.460 0.405 0.000 0.972 280 Y HN -0.057 nan 8.280 nan 0.000 0.504 281 E N 0.692 121.116 120.200 0.373 0.000 2.012 281 E HA -0.263 4.086 4.350 -0.002 0.000 0.197 281 E C 2.290 178.940 176.600 0.082 0.000 1.007 281 E CA 1.539 58.092 56.400 0.256 0.000 0.816 281 E CB -0.556 29.314 29.700 0.282 0.000 0.762 281 E HN 0.469 nan 8.360 nan 0.000 0.451 282 K N 0.898 121.333 120.400 0.059 0.000 2.015 282 K HA -0.230 4.089 4.320 -0.002 0.000 0.216 282 K C 2.350 178.942 176.600 -0.013 0.000 1.052 282 K CA 1.635 57.934 56.287 0.021 0.000 0.937 282 K CB -0.581 31.930 32.500 0.018 0.000 0.719 282 K HN 0.071 nan 8.250 nan 0.000 0.446 283 L N 1.280 122.478 121.223 -0.041 0.000 1.989 283 L HA -0.121 4.218 4.340 -0.002 0.000 0.211 283 L C 2.552 179.356 176.870 -0.109 0.000 1.071 283 L CA 2.317 57.114 54.840 -0.073 0.000 0.749 283 L CB -0.887 41.119 42.059 -0.088 0.000 0.890 283 L HN 0.356 nan 8.230 nan 0.000 0.431 284 A N -1.964 120.730 122.820 -0.210 0.000 2.024 284 A HA -0.208 4.111 4.320 -0.002 0.000 0.220 284 A C 2.459 179.997 177.584 -0.076 0.000 1.164 284 A CA 1.899 53.804 52.037 -0.219 0.000 0.643 284 A CB -0.899 17.860 19.000 -0.402 0.000 0.806 284 A HN 0.510 nan 8.150 nan 0.000 0.451 285 S N -0.625 115.052 115.700 -0.037 0.000 2.368 285 S HA -0.172 4.296 4.470 -0.002 0.000 0.225 285 S C 1.671 176.286 174.600 0.025 0.000 1.030 285 S CA 1.747 59.950 58.200 0.006 0.000 0.999 285 S CB -0.356 62.855 63.200 0.018 0.000 0.844 285 S HN 0.714 nan 8.310 nan 0.000 0.459 286 D N 0.265 120.679 120.400 0.024 0.000 2.123 286 D HA -0.007 4.632 4.640 -0.002 0.000 0.200 286 D C 1.832 178.201 176.300 0.115 0.000 0.976 286 D CA 0.418 54.451 54.000 0.056 0.000 0.831 286 D CB -0.066 40.749 40.800 0.025 0.000 0.974 286 D HN 0.146 nan 8.370 nan 0.000 0.469 287 L N 0.216 121.492 121.223 0.089 0.000 2.046 287 L HA -0.046 4.293 4.340 -0.002 0.000 0.208 287 L C 1.730 178.725 176.870 0.208 0.000 1.077 287 L CA 1.492 56.431 54.840 0.165 0.000 0.747 287 L CB -0.219 41.884 42.059 0.074 0.000 0.896 287 L HN 0.126 nan 8.230 nan 0.000 0.432 288 L N -0.929 120.362 121.223 0.114 0.000 2.240 288 L HA -0.077 4.262 4.340 -0.002 0.000 0.211 288 L C 2.534 179.450 176.870 0.076 0.000 1.106 288 L CA 0.613 55.507 54.840 0.091 0.000 0.793 288 L CB -0.654 41.434 42.059 0.048 0.000 0.927 288 L HN 0.348 nan 8.230 nan 0.000 0.446 289 E N 0.370 120.622 120.200 0.088 0.000 2.017 289 E HA -0.283 4.066 4.350 -0.002 0.000 0.193 289 E C 2.012 178.667 176.600 0.092 0.000 0.997 289 E CA 1.687 58.134 56.400 0.077 0.000 0.804 289 E CB -0.291 29.457 29.700 0.079 0.000 0.757 289 E HN 0.481 nan 8.360 nan 0.000 0.448 290 W N 2.468 123.775 121.300 0.012 0.000 2.335 290 W HA -0.199 4.460 4.660 -0.002 0.000 0.311 290 W C 2.322 178.861 176.519 0.033 0.000 1.213 290 W CA 2.836 60.190 57.345 0.015 0.000 1.274 290 W CB -0.575 28.898 29.460 0.023 0.000 1.148 290 W HN 0.231 nan 8.180 nan 0.000 0.498 291 I N -1.155 119.286 120.570 -0.215 0.000 2.928 291 I HA 0.024 4.193 4.170 -0.002 0.000 0.266 291 I C 2.334 178.305 176.117 -0.244 0.000 1.234 291 I CA 1.249 62.322 61.300 -0.379 0.000 1.483 291 I CB -0.757 37.172 38.000 -0.119 0.000 1.097 291 I HN -0.020 nan 8.210 nan 0.000 0.455 292 R N 1.369 121.787 120.500 -0.136 0.000 2.193 292 R HA 0.000 4.339 4.340 -0.002 0.000 0.213 292 R C 2.485 178.712 176.300 -0.122 0.000 1.055 292 R CA 0.473 56.516 56.100 -0.097 0.000 0.995 292 R CB -0.065 30.211 30.300 -0.040 0.000 0.893 292 R HN 0.395 nan 8.270 nan 0.000 0.459 293 R N -0.608 119.788 120.500 -0.173 0.000 2.055 293 R HA -0.029 4.310 4.340 -0.002 0.000 0.226 293 R C 1.457 177.616 176.300 -0.234 0.000 1.135 293 R CA 1.811 57.806 56.100 -0.175 0.000 0.959 293 R CB -0.169 30.038 30.300 -0.155 0.000 0.854 293 R HN 0.128 nan 8.270 nan 0.000 0.431 294 T N 1.598 115.904 114.554 -0.414 0.000 2.857 294 T HA -0.000 4.348 4.350 -0.002 0.000 0.266 294 T C 1.880 176.468 174.700 -0.188 0.000 1.048 294 T CA 0.992 62.863 62.100 -0.381 0.000 1.139 294 T CB -0.091 68.388 68.868 -0.647 0.000 0.874 294 T HN 0.182 nan 8.240 nan 0.000 0.455 295 I N 1.886 122.335 120.570 -0.201 0.000 2.185 295 I HA -0.153 4.016 4.170 -0.002 0.000 0.246 295 I C -0.613 175.455 176.117 -0.081 0.000 1.088 295 I CA 1.233 62.456 61.300 -0.128 0.000 1.347 295 I CB -1.220 36.704 38.000 -0.127 0.000 1.041 295 I HN 0.211 nan 8.210 nan 0.000 0.415 296 P HA -0.158 nan 4.420 nan 0.000 0.247 296 P C 0.849 178.147 177.300 -0.004 0.000 1.225 296 P CA 0.919 63.994 63.100 -0.043 0.000 0.768 296 P CB -0.303 31.376 31.700 -0.035 0.000 1.020 297 W N 0.208 121.382 121.300 -0.210 0.000 3.107 297 W HA 0.271 4.930 4.660 -0.002 0.000 0.293 297 W C 0.372 176.693 176.519 -0.331 0.000 1.239 297 W CA 0.044 57.246 57.345 -0.239 0.000 1.653 297 W CB 0.089 29.402 29.460 -0.244 0.000 1.068 297 W HN -0.289 nan 8.180 nan 0.000 0.615 298 L N 1.049 122.134 121.223 -0.230 0.000 2.567 298 L HA 0.178 4.517 4.340 -0.002 0.000 0.238 298 L C 1.671 178.393 176.870 -0.245 0.000 1.168 298 L CA -0.514 54.110 54.840 -0.359 0.000 0.817 298 L CB 0.340 42.296 42.059 -0.173 0.000 1.409 298 L HN -0.060 nan 8.230 nan 0.000 0.502 299 E N -0.286 119.823 120.200 -0.153 0.000 5.003 299 E HA -0.366 3.983 4.350 -0.002 0.000 0.166 299 E C 1.296 177.805 176.600 -0.152 0.000 1.244 299 E CA 1.831 58.165 56.400 -0.111 0.000 2.281 299 E CB -1.104 28.536 29.700 -0.100 0.000 1.825 299 E HN 0.838 nan 8.360 nan 0.000 0.420 300 N N 1.154 119.723 118.700 -0.220 0.000 1.870 300 N HA -0.284 4.455 4.740 -0.002 0.000 0.142 300 N C -0.299 174.978 175.510 -0.388 0.000 0.637 300 N CA 3.040 55.923 53.050 -0.280 0.000 0.828 300 N CB -0.252 38.024 38.487 -0.351 0.000 0.846 300 N HN 0.411 nan 8.380 nan 0.000 1.221 301 R N -1.656 118.494 120.500 -0.583 0.000 2.717 301 R HA -0.079 4.260 4.340 -0.002 0.000 0.298 301 R C -1.332 174.189 176.300 -1.299 0.000 0.971 301 R CA 0.544 55.868 56.100 -1.293 0.000 0.773 301 R CB -2.053 27.706 30.300 -0.903 0.000 2.073 301 R HN 0.468 nan 8.270 nan 0.000 0.494 302 A N 2.892 124.838 122.820 -1.457 0.000 2.530 302 A HA 0.578 4.897 4.320 -0.002 0.000 0.279 302 A C -2.288 175.160 177.584 -0.227 0.000 1.109 302 A CA -1.244 50.429 52.037 -0.606 0.000 0.763 302 A CB 1.206 19.996 19.000 -0.349 0.000 1.257 302 A HN 0.192 nan 8.150 nan 0.000 0.424 303 P HA 0.377 nan 4.420 nan 0.000 0.274 303 P C -0.341 177.036 177.300 0.129 0.000 1.237 303 P CA -0.029 63.248 63.100 0.296 0.000 0.793 303 P CB 1.203 33.071 31.700 0.281 0.000 0.977 304 E N 0.456 120.731 120.200 0.125 0.000 2.405 304 E HA 0.205 4.554 4.350 -0.002 0.000 0.249 304 E C 0.955 177.580 176.600 0.042 0.000 1.028 304 E CA -0.684 55.757 56.400 0.069 0.000 0.897 304 E CB 1.025 30.771 29.700 0.076 0.000 1.262 304 E HN 0.329 nan 8.360 nan 0.000 0.442 305 N N -0.300 118.407 118.700 0.012 0.000 2.416 305 N HA -0.035 4.704 4.740 -0.002 0.000 0.177 305 N C 0.429 175.923 175.510 -0.027 0.000 1.036 305 N CA 0.690 53.723 53.050 -0.028 0.000 0.901 305 N CB 0.416 38.872 38.487 -0.053 0.000 0.976 305 N HN 0.442 nan 8.380 nan 0.000 0.444 306 T N -2.959 111.600 114.554 0.008 0.000 2.916 306 T HA 0.331 4.680 4.350 -0.002 0.000 0.292 306 T C 0.869 175.595 174.700 0.044 0.000 1.055 306 T CA -0.766 61.349 62.100 0.025 0.000 1.009 306 T CB 2.387 71.269 68.868 0.024 0.000 1.118 306 T HN -0.177 nan 8.240 nan 0.000 0.497 307 M N 0.468 120.102 119.600 0.055 0.000 2.374 307 M HA -0.062 4.417 4.480 -0.002 0.000 0.264 307 M C 2.232 178.556 176.300 0.040 0.000 1.067 307 M CA 1.169 56.496 55.300 0.045 0.000 1.103 307 M CB -0.221 32.413 32.600 0.057 0.000 1.402 307 M HN 0.727 nan 8.290 nan 0.000 0.444 308 Q N -0.191 119.637 119.800 0.046 0.000 2.083 308 Q HA -0.090 4.249 4.340 -0.002 0.000 0.198 308 Q C 1.955 177.988 176.000 0.054 0.000 0.969 308 Q CA 1.712 57.544 55.803 0.047 0.000 0.838 308 Q CB -0.077 28.689 28.738 0.046 0.000 0.900 308 Q HN 0.659 nan 8.270 nan 0.000 0.436 309 A N 0.200 123.054 122.820 0.056 0.000 1.968 309 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 309 A C 2.008 179.642 177.584 0.084 0.000 1.169 309 A CA 1.252 53.331 52.037 0.071 0.000 0.638 309 A CB -0.368 18.672 19.000 0.065 0.000 0.812 309 A HN 0.337 nan 8.150 nan 0.000 0.446 310 M N -0.625 119.011 119.600 0.061 0.000 2.117 310 M HA -0.142 4.337 4.480 -0.002 0.000 0.262 310 M C 2.093 178.406 176.300 0.021 0.000 1.065 310 M CA 1.444 56.765 55.300 0.036 0.000 1.114 310 M CB -0.259 32.333 32.600 -0.015 0.000 1.361 310 M HN 0.372 nan 8.290 nan 0.000 0.408 311 Q N -0.519 119.299 119.800 0.031 0.000 2.230 311 Q HA -0.169 4.170 4.340 -0.002 0.000 0.202 311 Q C 2.031 178.085 176.000 0.090 0.000 0.963 311 Q CA 1.025 56.856 55.803 0.046 0.000 0.866 311 Q CB -0.441 28.320 28.738 0.038 0.000 0.931 311 Q HN 0.614 nan 8.270 nan 0.000 0.452 312 Q N 1.317 121.178 119.800 0.101 0.000 2.084 312 Q HA -0.181 4.158 4.340 -0.002 0.000 0.202 312 Q C 1.712 177.826 176.000 0.190 0.000 0.978 312 Q CA 1.386 57.269 55.803 0.133 0.000 0.844 312 Q CB 0.139 28.948 28.738 0.119 0.000 0.898 312 Q HN 0.018 nan 8.270 nan 0.000 0.426 313 K N 0.658 121.175 120.400 0.194 0.000 2.147 313 K HA -0.032 4.287 4.320 -0.002 0.000 0.205 313 K C 2.155 178.952 176.600 0.329 0.000 1.049 313 K CA 0.646 57.096 56.287 0.271 0.000 0.936 313 K CB -0.572 32.077 32.500 0.250 0.000 0.722 313 K HN 0.244 nan 8.250 nan 0.000 0.446 314 L N 0.317 121.671 121.223 0.218 0.000 1.989 314 L HA -0.217 4.122 4.340 -0.002 0.000 0.211 314 L C 2.272 179.343 176.870 0.335 0.000 1.071 314 L CA 1.595 56.591 54.840 0.260 0.000 0.749 314 L CB -0.319 41.815 42.059 0.125 0.000 0.890 314 L HN 0.280 nan 8.230 nan 0.000 0.431 315 E N 0.029 120.370 120.200 0.235 0.000 2.058 315 E HA -0.301 4.048 4.350 -0.002 0.000 0.194 315 E C 1.725 178.469 176.600 0.239 0.000 0.997 315 E CA 1.799 58.318 56.400 0.198 0.000 0.801 315 E CB -0.235 29.547 29.700 0.138 0.000 0.746 315 E HN 0.515 nan 8.360 nan 0.000 0.450 316 D N -0.995 119.586 120.400 0.303 0.000 2.218 316 D HA -0.166 4.473 4.640 -0.002 0.000 0.204 316 D C 1.647 178.279 176.300 0.553 0.000 0.976 316 D CA 0.581 54.804 54.000 0.372 0.000 0.853 316 D CB -0.163 40.874 40.800 0.395 0.000 0.939 316 D HN 0.126 nan 8.370 nan 0.000 0.481 317 F N 0.367 120.585 119.950 0.446 0.000 2.512 317 F HA 0.231 4.757 4.527 -0.002 0.000 0.296 317 F C 1.920 177.963 175.800 0.404 0.000 1.110 317 F CA 0.614 58.950 58.000 0.559 0.000 1.446 317 F CB 0.127 39.454 39.000 0.544 0.000 1.092 317 F HN -0.175 nan 8.300 nan 0.000 0.554 318 R N -0.297 120.307 120.500 0.173 0.000 2.140 318 R HA -0.030 4.309 4.340 -0.002 0.000 0.213 318 R C 1.432 177.661 176.300 -0.119 0.000 1.059 318 R CA 1.045 57.130 56.100 -0.025 0.000 1.000 318 R CB -0.265 30.071 30.300 0.059 0.000 0.910 318 R HN 0.176 nan 8.270 nan 0.000 0.455 319 D N -0.093 120.247 120.400 -0.100 0.000 2.234 319 D HA -0.135 4.504 4.640 -0.002 0.000 0.205 319 D C 1.463 177.364 176.300 -0.664 0.000 0.962 319 D CA 0.746 54.533 54.000 -0.355 0.000 0.855 319 D CB -0.024 40.601 40.800 -0.291 0.000 0.951 319 D HN 0.138 nan 8.370 nan 0.000 0.500 320 Y N 1.970 122.109 120.300 -0.270 0.000 2.070 320 Y HA -0.208 4.341 4.550 -0.002 0.000 0.280 320 Y C 2.062 177.895 175.900 -0.112 0.000 1.148 320 Y CA 1.706 59.792 58.100 -0.024 0.000 1.125 320 Y CB 0.006 38.559 38.460 0.154 0.000 0.975 320 Y HN -0.215 nan 8.280 nan 0.000 0.492 321 R N 0.187 120.269 120.500 -0.698 0.000 2.075 321 R HA -0.033 4.306 4.340 -0.002 0.000 0.226 321 R C 2.527 178.595 176.300 -0.386 0.000 1.114 321 R CA 1.520 57.202 56.100 -0.696 0.000 0.972 321 R CB -0.709 29.160 30.300 -0.718 0.000 0.869 321 R HN 0.398 nan 8.270 nan 0.000 0.437 322 R N 0.956 121.280 120.500 -0.294 0.000 2.093 322 R HA -0.019 4.320 4.340 -0.002 0.000 0.224 322 R C 1.358 177.559 176.300 -0.165 0.000 1.101 322 R CA 1.264 57.251 56.100 -0.187 0.000 0.979 322 R CB 0.224 30.438 30.300 -0.145 0.000 0.877 322 R HN 0.171 nan 8.270 nan 0.000 0.441 323 L N -4.314 116.783 121.223 -0.210 0.000 3.500 323 L HA 0.225 4.564 4.340 -0.002 0.000 0.320 323 L C 0.734 177.563 176.870 -0.068 0.000 1.205 323 L CA 0.395 55.156 54.840 -0.132 0.000 1.117 323 L CB -0.858 41.145 42.059 -0.093 0.000 1.542 323 L HN 0.055 nan 8.230 nan 0.000 0.622 324 H N 1.242 120.240 119.070 -0.121 0.000 2.307 324 H HA -0.001 4.554 4.556 -0.002 0.000 0.303 324 H C 2.027 177.245 175.328 -0.184 0.000 1.073 324 H CA 1.793 57.760 56.048 -0.136 0.000 1.338 324 H CB 0.655 30.406 29.762 -0.018 0.000 1.389 324 H HN 0.248 nan 8.280 nan 0.000 0.503 325 K N 0.412 120.770 120.400 -0.070 0.000 1.984 325 K HA -0.077 4.242 4.320 -0.002 0.000 0.209 325 K C -0.801 175.806 176.600 0.011 0.000 1.046 325 K CA 1.080 57.347 56.287 -0.033 0.000 0.934 325 K CB -0.574 31.804 32.500 -0.202 0.000 0.717 325 K HN 0.146 nan 8.250 nan 0.000 0.438 326 P HA -0.123 nan 4.420 nan 0.000 0.216 326 P C -1.754 175.552 177.300 0.010 0.000 1.150 326 P CA 1.734 64.840 63.100 0.010 0.000 0.843 326 P CB -0.758 30.929 31.700 -0.022 0.000 0.787 327 P HA -0.083 nan 4.420 nan 0.000 0.230 327 P C 0.995 178.271 177.300 -0.041 0.000 1.158 327 P CA 1.313 64.386 63.100 -0.045 0.000 0.769 327 P CB -0.174 31.482 31.700 -0.073 0.000 0.807 328 K N -0.442 119.966 120.400 0.014 0.000 2.262 328 K HA 0.076 4.395 4.320 -0.002 0.000 0.200 328 K C 2.009 178.651 176.600 0.071 0.000 1.049 328 K CA 0.468 56.812 56.287 0.095 0.000 0.979 328 K CB -1.166 31.508 32.500 0.289 0.000 0.773 328 K HN 0.076 nan 8.250 nan 0.000 0.474 329 V N 1.793 121.822 119.914 0.192 0.000 2.490 329 V HA -0.190 3.929 4.120 -0.002 0.000 0.250 329 V C 2.558 178.608 176.094 -0.073 0.000 1.061 329 V CA 1.637 64.030 62.300 0.155 0.000 1.064 329 V CB -0.357 31.613 31.823 0.246 0.000 0.670 329 V HN 0.326 nan 8.190 nan 0.000 0.461 330 Q N 0.074 119.839 119.800 -0.059 0.000 2.134 330 Q HA -0.126 4.213 4.340 -0.002 0.000 0.195 330 Q C 2.316 178.242 176.000 -0.123 0.000 0.958 330 Q CA 1.389 57.141 55.803 -0.084 0.000 0.840 330 Q CB -0.001 28.709 28.738 -0.047 0.000 0.918 330 Q HN 0.742 nan 8.270 nan 0.000 0.467 331 E N 0.654 120.783 120.200 -0.118 0.000 2.085 331 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 331 E C 1.826 178.331 176.600 -0.158 0.000 0.994 331 E CA 0.957 57.288 56.400 -0.114 0.000 0.801 331 E CB 0.054 29.699 29.700 -0.093 0.000 0.743 331 E HN 0.102 nan 8.360 nan 0.000 0.453 332 K N 0.124 120.359 120.400 -0.276 0.000 2.442 332 K HA -0.137 4.182 4.320 -0.002 0.000 0.198 332 K C 1.964 178.397 176.600 -0.278 0.000 1.044 332 K CA 0.836 56.908 56.287 -0.358 0.000 0.948 332 K CB -0.203 31.820 32.500 -0.794 0.000 0.762 332 K HN 0.237 nan 8.250 nan 0.000 0.472 333 C N 0.214 119.384 119.300 -0.216 0.000 2.518 333 C HA 0.084 4.543 4.460 -0.002 0.000 0.283 333 C C 2.596 177.552 174.990 -0.057 0.000 1.351 333 C CA 0.086 59.029 59.018 -0.124 0.000 1.745 333 C CB -0.133 27.542 27.740 -0.108 0.000 2.107 333 C HN 0.472 nan 8.230 nan 0.000 0.502 334 Q N 0.481 120.247 119.800 -0.057 0.000 2.079 334 Q HA -0.088 4.251 4.340 -0.002 0.000 0.200 334 Q C 1.040 177.050 176.000 0.018 0.000 0.974 334 Q CA 1.072 56.865 55.803 -0.017 0.000 0.840 334 Q CB -0.565 28.157 28.738 -0.028 0.000 0.898 334 Q HN 0.633 nan 8.270 nan 0.000 0.430 335 L N 2.017 123.230 121.223 -0.016 0.000 2.388 335 L HA -0.005 4.334 4.340 -0.002 0.000 0.252 335 L C 0.609 177.522 176.870 0.071 0.000 1.357 335 L CA 0.962 55.805 54.840 0.005 0.000 1.214 335 L CB -0.163 41.821 42.059 -0.125 0.000 1.392 335 L HN 0.230 nan 8.230 nan 0.000 0.432 336 E N 1.177 121.477 120.200 0.167 0.000 1.292 336 E HA -0.112 4.237 4.350 -0.002 0.000 0.214 336 E C 1.390 178.103 176.600 0.189 0.000 1.047 336 E CA 0.455 56.959 56.400 0.172 0.000 1.073 336 E CB -0.650 29.074 29.700 0.040 0.000 4.695 336 E HN 0.488 nan 8.360 nan 0.000 0.688 337 I N 2.304 122.945 120.570 0.118 0.000 2.286 337 I HA -0.180 3.989 4.170 -0.002 0.000 0.248 337 I C 1.748 177.941 176.117 0.128 0.000 1.115 337 I CA 1.126 62.483 61.300 0.095 0.000 1.392 337 I CB -0.298 37.730 38.000 0.046 0.000 1.065 337 I HN 0.080 nan 8.210 nan 0.000 0.418 338 N N 0.287 119.095 118.700 0.180 0.000 2.519 338 N HA -0.177 4.562 4.740 -0.002 0.000 0.186 338 N C 1.144 176.829 175.510 0.293 0.000 1.062 338 N CA 1.194 54.383 53.050 0.231 0.000 0.910 338 N CB -0.168 38.504 38.487 0.309 0.000 0.958 338 N HN 0.289 nan 8.380 nan 0.000 0.445 339 F N -0.010 120.004 119.950 0.108 0.000 2.639 339 F HA 0.269 4.795 4.527 -0.002 0.000 0.302 339 F C 1.102 176.909 175.800 0.012 0.000 1.097 339 F CA -0.415 57.601 58.000 0.027 0.000 1.294 339 F CB 0.378 39.373 39.000 -0.008 0.000 1.027 339 F HN -0.141 nan 8.300 nan 0.000 0.550 340 N N -0.678 118.076 118.700 0.089 0.000 2.349 340 N HA -0.022 4.717 4.740 -0.002 0.000 0.202 340 N C 1.823 177.316 175.510 -0.027 0.000 1.041 340 N CA 1.794 54.855 53.050 0.017 0.000 0.970 340 N CB -0.964 37.541 38.487 0.029 0.000 1.173 340 N HN -0.070 nan 8.380 nan 0.000 0.493 341 T N 3.006 117.559 114.554 -0.002 0.000 2.427 341 T HA -0.207 4.142 4.350 -0.002 0.000 0.244 341 T C 1.776 176.454 174.700 -0.036 0.000 1.325 341 T CA 1.498 63.592 62.100 -0.010 0.000 1.173 341 T CB -0.738 68.137 68.868 0.011 0.000 0.859 341 T HN 0.136 nan 8.240 nan 0.000 0.415 342 L N 1.171 122.371 121.223 -0.038 0.000 2.043 342 L HA -0.171 4.168 4.340 -0.002 0.000 0.212 342 L C 2.429 179.222 176.870 -0.129 0.000 1.075 342 L CA 1.913 56.710 54.840 -0.072 0.000 0.752 342 L CB -1.072 40.954 42.059 -0.055 0.000 0.891 342 L HN 0.395 nan 8.230 nan 0.000 0.432 343 Q N -0.802 118.867 119.800 -0.218 0.000 2.297 343 Q HA -0.137 4.202 4.340 -0.002 0.000 0.208 343 Q C 1.863 177.790 176.000 -0.122 0.000 0.981 343 Q CA 1.957 57.605 55.803 -0.258 0.000 0.876 343 Q CB -0.247 28.233 28.738 -0.430 0.000 0.921 343 Q HN 0.583 nan 8.270 nan 0.000 0.446 344 T N -0.475 114.031 114.554 -0.080 0.000 3.018 344 T HA 0.051 4.400 4.350 -0.002 0.000 0.246 344 T C 1.739 176.419 174.700 -0.034 0.000 1.026 344 T CA 0.236 62.313 62.100 -0.038 0.000 1.081 344 T CB 0.352 69.204 68.868 -0.025 0.000 0.970 344 T HN 0.120 nan 8.240 nan 0.000 0.475 345 K N 1.150 121.525 120.400 -0.041 0.000 1.991 345 K HA 0.059 4.378 4.320 -0.002 0.000 0.212 345 K C 0.576 177.151 176.600 -0.043 0.000 1.049 345 K CA 0.990 57.255 56.287 -0.037 0.000 0.932 345 K CB -0.363 32.116 32.500 -0.035 0.000 0.717 345 K HN 0.217 nan 8.250 nan 0.000 0.441 346 L N 1.662 122.849 121.223 -0.059 0.000 2.400 346 L HA 0.066 4.405 4.340 -0.002 0.000 0.262 346 L C 1.065 177.905 176.870 -0.049 0.000 1.309 346 L CA 0.254 55.059 54.840 -0.058 0.000 1.186 346 L CB -0.002 42.013 42.059 -0.073 0.000 1.375 346 L HN 0.338 nan 8.230 nan 0.000 0.433 347 R N 1.534 122.013 120.500 -0.034 0.000 2.535 347 R HA 0.019 4.358 4.340 -0.002 0.000 0.050 347 R C -0.136 176.156 176.300 -0.014 0.000 0.816 347 R CA -0.346 55.741 56.100 -0.022 0.000 2.949 347 R CB -0.039 30.259 30.300 -0.003 0.000 1.256 347 R HN 0.367 nan 8.270 nan 0.000 0.520 348 L N 2.231 123.447 121.223 -0.012 0.000 2.451 348 L HA 0.447 4.786 4.340 -0.002 0.000 0.272 348 L C -0.030 176.833 176.870 -0.012 0.000 1.258 348 L CA 0.806 55.641 54.840 -0.009 0.000 1.132 348 L CB 0.868 42.923 42.059 -0.007 0.000 1.361 348 L HN 0.424 nan 8.230 nan 0.000 0.438 349 S N -0.132 115.562 115.700 -0.010 0.000 6.009 349 S HA 0.047 4.516 4.470 -0.002 0.000 0.104 349 S C 0.170 174.768 174.600 -0.003 0.000 1.171 349 S CA 0.026 58.221 58.200 -0.008 0.000 1.364 349 S CB -0.298 62.892 63.200 -0.017 0.000 1.747 349 S HN 0.511 nan 8.310 nan 0.000 0.498 350 N N 2.497 121.190 118.700 -0.011 0.000 3.038 350 N HA -0.064 4.675 4.740 -0.002 0.000 0.257 350 N C -1.119 174.378 175.510 -0.023 0.000 1.098 350 N CA 1.019 54.060 53.050 -0.015 0.000 0.669 350 N CB -0.767 37.720 38.487 0.002 0.000 1.007 350 N HN 0.902 nan 8.380 nan 0.000 0.574 351 R N -1.214 119.266 120.500 -0.034 0.000 2.560 351 R HA 0.392 4.731 4.340 -0.002 0.000 0.267 351 R C -3.528 172.743 176.300 -0.048 0.000 1.150 351 R CA -1.155 54.919 56.100 -0.043 0.000 0.997 351 R CB 0.986 31.264 30.300 -0.037 0.000 1.250 351 R HN -0.177 nan 8.270 nan 0.000 0.433 352 P HA 0.101 nan 4.420 nan 0.000 0.266 352 P C 0.100 177.387 177.300 -0.021 0.000 1.215 352 P CA 0.166 63.236 63.100 -0.049 0.000 0.763 352 P CB 0.734 32.392 31.700 -0.069 0.000 0.806 353 A N 5.420 128.237 122.820 -0.004 0.000 2.387 353 A HA 0.327 4.646 4.320 -0.002 0.000 0.251 353 A C 0.735 178.435 177.584 0.192 0.000 1.113 353 A CA -0.405 51.666 52.037 0.056 0.000 0.794 353 A CB -0.441 18.593 19.000 0.057 0.000 1.069 353 A HN 0.552 nan 8.150 nan 0.000 0.506 354 F N -0.489 119.426 119.950 -0.058 0.000 2.686 354 F HA 0.342 4.867 4.527 -0.002 0.000 0.296 354 F C 0.258 176.052 175.800 -0.011 0.000 1.239 354 F CA -0.304 57.678 58.000 -0.031 0.000 1.332 354 F CB -0.272 38.726 39.000 -0.005 0.000 1.168 354 F HN 0.630 nan 8.300 nan 0.000 0.576 355 M N 1.296 120.748 119.600 -0.247 0.000 2.761 355 M HA 0.485 4.964 4.480 -0.002 0.000 0.305 355 M C -2.454 173.410 176.300 -0.727 0.000 1.235 355 M CA -2.238 52.764 55.300 -0.497 0.000 0.850 355 M CB 2.165 34.646 32.600 -0.200 0.000 1.744 355 M HN 0.424 nan 8.290 nan 0.000 0.480 356 P HA 0.080 nan 4.420 nan 0.000 0.288 356 P C -0.909 176.387 177.300 -0.006 0.000 1.291 356 P CA -0.216 62.768 63.100 -0.194 0.000 0.766 356 P CB 0.117 31.817 31.700 0.000 0.000 1.242 357 S N 0.659 116.414 115.700 0.091 0.000 4.051 357 S HA -0.033 4.436 4.470 -0.002 0.000 0.215 357 S C 1.097 175.714 174.600 0.027 0.000 1.289 357 S CA 0.042 58.281 58.200 0.066 0.000 0.907 357 S CB -1.206 62.042 63.200 0.081 0.000 1.603 357 S HN 0.549 nan 8.310 nan 0.000 0.453 358 E N 3.022 123.220 120.200 -0.004 0.000 3.805 358 E HA -0.361 3.988 4.350 -0.002 0.000 0.265 358 E C 1.748 178.337 176.600 -0.017 0.000 1.259 358 E CA 2.347 58.733 56.400 -0.023 0.000 1.978 358 E CB -1.497 28.191 29.700 -0.020 0.000 1.780 358 E HN 0.671 nan 8.360 nan 0.000 0.278 359 G N 1.122 109.920 108.800 -0.003 0.000 2.501 359 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.220 359 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.220 359 G C 0.920 175.824 174.900 0.006 0.000 1.114 359 G CA 0.936 46.037 45.100 0.001 0.000 0.757 359 G HN 0.313 nan 8.290 nan 0.000 0.559 360 K N 0.598 121.006 120.400 0.014 0.000 2.502 360 K HA 0.317 4.636 4.320 -0.002 0.000 0.244 360 K C 0.035 176.639 176.600 0.008 0.000 1.249 360 K CA -0.324 55.975 56.287 0.020 0.000 1.193 360 K CB 0.311 32.836 32.500 0.041 0.000 1.674 360 K HN 0.207 nan 8.250 nan 0.000 0.302 361 M N 1.841 121.432 119.600 -0.014 0.000 2.162 361 M HA 0.004 4.483 4.480 -0.002 0.000 0.356 361 M C 1.102 177.360 176.300 -0.070 0.000 1.303 361 M CA -0.196 55.074 55.300 -0.049 0.000 1.116 361 M CB 0.956 33.529 32.600 -0.044 0.000 1.632 361 M HN 0.218 nan 8.290 nan 0.000 0.469 362 V N 2.594 122.415 119.914 -0.154 0.000 2.231 362 V HA -0.246 3.873 4.120 -0.002 0.000 0.250 362 V C 1.450 177.447 176.094 -0.161 0.000 1.058 362 V CA 2.034 64.190 62.300 -0.241 0.000 1.022 362 V CB -0.700 30.746 31.823 -0.628 0.000 0.640 362 V HN 0.937 nan 8.190 nan 0.000 0.445 363 S N -0.876 114.744 115.700 -0.134 0.000 3.149 363 S HA 0.128 4.597 4.470 -0.002 0.000 0.228 363 S C 0.732 175.316 174.600 -0.027 0.000 1.393 363 S CA 0.220 58.378 58.200 -0.070 0.000 1.224 363 S CB -0.516 62.652 63.200 -0.054 0.000 1.112 363 S HN 0.693 nan 8.310 nan 0.000 0.502 364 D N 0.055 120.446 120.400 -0.016 0.000 2.116 364 D HA 0.158 4.796 4.640 -0.002 0.000 0.347 364 D C 1.327 177.648 176.300 0.035 0.000 1.045 364 D CA 0.021 54.028 54.000 0.011 0.000 0.885 364 D CB -0.143 40.659 40.800 0.004 0.000 1.654 364 D HN 0.425 nan 8.370 nan 0.000 0.533 365 I N 1.636 122.222 120.570 0.026 0.000 2.623 365 I HA -0.229 3.940 4.170 -0.002 0.000 0.261 365 I C 1.944 178.124 176.117 0.104 0.000 1.204 365 I CA 1.497 62.832 61.300 0.057 0.000 1.444 365 I CB -0.671 37.339 38.000 0.016 0.000 1.094 365 I HN 0.216 nan 8.210 nan 0.000 0.451 366 N N 0.885 119.631 118.700 0.078 0.000 2.109 366 N HA -0.190 4.549 4.740 -0.002 0.000 0.188 366 N C 1.688 177.294 175.510 0.159 0.000 1.034 366 N CA 1.184 54.305 53.050 0.118 0.000 0.846 366 N CB -0.298 38.228 38.487 0.065 0.000 1.010 366 N HN 0.181 nan 8.380 nan 0.000 0.425 367 N N 1.051 119.812 118.700 0.102 0.000 2.149 367 N HA -0.145 4.594 4.740 -0.002 0.000 0.188 367 N C 1.827 177.390 175.510 0.089 0.000 1.019 367 N CA 1.397 54.497 53.050 0.084 0.000 0.857 367 N CB -0.595 37.923 38.487 0.052 0.000 0.997 367 N HN 0.511 nan 8.380 nan 0.000 0.426 368 A N 0.936 123.821 122.820 0.108 0.000 1.908 368 A HA -0.162 4.157 4.320 -0.002 0.000 0.218 368 A C 2.065 179.729 177.584 0.132 0.000 1.181 368 A CA 0.949 53.050 52.037 0.106 0.000 0.627 368 A CB -0.973 18.102 19.000 0.124 0.000 0.818 368 A HN 0.525 nan 8.150 nan 0.000 0.445 369 W N 0.514 121.831 121.300 0.028 0.000 2.418 369 W HA -0.075 4.584 4.660 -0.002 0.000 0.292 369 W C 2.126 178.672 176.519 0.045 0.000 1.213 369 W CA 1.189 58.561 57.345 0.044 0.000 1.283 369 W CB -0.310 29.177 29.460 0.046 0.000 1.119 369 W HN 0.411 nan 8.180 nan 0.000 0.542 370 G N 0.696 109.572 108.800 0.127 0.000 2.459 370 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.217 370 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.217 370 G C 1.680 176.568 174.900 -0.020 0.000 1.183 370 G CA 1.400 46.530 45.100 0.050 0.000 0.776 370 G HN 0.368 nan 8.290 nan 0.000 0.552 371 G N 0.733 109.522 108.800 -0.018 0.000 2.440 371 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.218 371 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.218 371 G C 1.775 176.622 174.900 -0.087 0.000 1.154 371 G CA 1.092 46.168 45.100 -0.040 0.000 0.767 371 G HN 0.403 nan 8.290 nan 0.000 0.552 372 L N 0.658 121.787 121.223 -0.156 0.000 1.990 372 L HA -0.075 4.264 4.340 -0.002 0.000 0.213 372 L C 2.572 179.318 176.870 -0.208 0.000 1.072 372 L CA 2.092 56.787 54.840 -0.241 0.000 0.755 372 L CB -0.345 41.429 42.059 -0.476 0.000 0.889 372 L HN 0.149 nan 8.230 nan 0.000 0.432 373 E N -0.686 119.365 120.200 -0.247 0.000 2.418 373 E HA -0.152 4.197 4.350 -0.002 0.000 0.197 373 E C 2.095 178.671 176.600 -0.041 0.000 1.026 373 E CA 0.379 56.699 56.400 -0.132 0.000 0.862 373 E CB -0.153 29.472 29.700 -0.126 0.000 0.799 373 E HN 0.622 nan 8.360 nan 0.000 0.518 374 Q N 0.530 120.306 119.800 -0.040 0.000 2.020 374 Q HA -0.002 4.336 4.340 -0.002 0.000 0.198 374 Q C 2.221 178.219 176.000 -0.003 0.000 0.974 374 Q CA 1.429 57.224 55.803 -0.013 0.000 0.829 374 Q CB -0.604 28.125 28.738 -0.015 0.000 0.894 374 Q HN 0.270 nan 8.270 nan 0.000 0.433 375 A N 1.475 124.283 122.820 -0.020 0.000 1.972 375 A HA -0.184 4.135 4.320 -0.002 0.000 0.219 375 A C 1.989 179.593 177.584 0.033 0.000 1.169 375 A CA 1.284 53.311 52.037 -0.017 0.000 0.635 375 A CB -0.295 18.673 19.000 -0.054 0.000 0.810 375 A HN 0.244 nan 8.150 nan 0.000 0.446 376 E N -0.163 120.078 120.200 0.069 0.000 2.110 376 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 376 E C 1.954 178.655 176.600 0.168 0.000 0.988 376 E CA 1.500 58.003 56.400 0.171 0.000 0.804 376 E CB -0.188 29.608 29.700 0.159 0.000 0.745 376 E HN 0.563 nan 8.360 nan 0.000 0.458 377 K N 0.411 120.871 120.400 0.100 0.000 2.211 377 K HA -0.097 4.222 4.320 -0.002 0.000 0.204 377 K C 1.212 177.857 176.600 0.075 0.000 1.047 377 K CA 1.426 57.762 56.287 0.082 0.000 0.935 377 K CB -0.137 32.394 32.500 0.050 0.000 0.728 377 K HN 0.133 nan 8.250 nan 0.000 0.452 378 G N -1.127 107.720 108.800 0.079 0.000 4.552 378 G HA2 0.026 3.985 3.960 -0.002 0.000 0.281 378 G HA3 0.026 3.985 3.960 -0.002 0.000 0.281 378 G C 0.175 175.131 174.900 0.093 0.000 1.037 378 G CA -0.200 44.939 45.100 0.066 0.000 0.806 378 G HN 0.299 nan 8.290 nan 0.000 0.495 379 Y N 0.191 120.492 120.300 0.002 0.000 2.343 379 Y HA 0.157 4.706 4.550 -0.002 0.000 0.294 379 Y C 2.325 178.144 175.900 -0.135 0.000 1.122 379 Y CA 1.370 59.457 58.100 -0.022 0.000 1.173 379 Y CB 0.347 38.713 38.460 -0.156 0.000 1.077 379 Y HN 0.210 nan 8.280 nan 0.000 0.542 380 E N 0.813 120.878 120.200 -0.224 0.000 2.031 380 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 380 E C 1.983 178.409 176.600 -0.291 0.000 0.994 380 E CA 1.468 57.663 56.400 -0.340 0.000 0.800 380 E CB -0.122 29.609 29.700 0.052 0.000 0.752 380 E HN 0.500 nan 8.360 nan 0.000 0.447 381 E N -0.174 119.933 120.200 -0.156 0.000 2.106 381 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 381 E C 1.801 178.245 176.600 -0.260 0.000 0.984 381 E CA 0.649 56.957 56.400 -0.153 0.000 0.806 381 E CB -0.522 29.141 29.700 -0.062 0.000 0.750 381 E HN 0.336 nan 8.360 nan 0.000 0.458 382 W N 1.706 122.845 121.300 -0.269 0.000 2.318 382 W HA -0.235 4.424 4.660 -0.002 0.000 0.313 382 W C 1.969 178.280 176.519 -0.346 0.000 1.221 382 W CA 1.735 58.898 57.345 -0.303 0.000 1.266 382 W CB -0.728 28.525 29.460 -0.345 0.000 1.150 382 W HN 0.008 nan 8.180 nan 0.000 0.496 383 L N 0.070 120.465 121.223 -1.379 0.000 1.944 383 L HA -0.346 3.993 4.340 -0.002 0.000 0.218 383 L C 2.725 179.151 176.870 -0.741 0.000 1.075 383 L CA 2.097 56.222 54.840 -1.192 0.000 0.767 383 L CB -1.480 40.133 42.059 -0.743 0.000 0.890 383 L HN 0.047 nan 8.230 nan 0.000 0.434 384 L N -0.286 120.655 121.223 -0.469 0.000 2.034 384 L HA -0.316 4.023 4.340 -0.002 0.000 0.217 384 L C 2.490 179.190 176.870 -0.284 0.000 1.077 384 L CA 1.515 56.180 54.840 -0.290 0.000 0.769 384 L CB -0.982 40.963 42.059 -0.190 0.000 0.890 384 L HN 0.474 nan 8.230 nan 0.000 0.435 385 N N 0.176 118.674 118.700 -0.337 0.000 2.104 385 N HA -0.182 4.557 4.740 -0.002 0.000 0.190 385 N C 1.543 176.888 175.510 -0.274 0.000 1.024 385 N CA 1.478 54.365 53.050 -0.272 0.000 0.853 385 N CB -0.140 38.198 38.487 -0.248 0.000 1.008 385 N HN 0.549 nan 8.380 nan 0.000 0.424 386 E N -0.188 119.762 120.200 -0.418 0.000 2.474 386 E HA 0.094 4.443 4.350 -0.002 0.000 0.195 386 E C 1.405 177.862 176.600 -0.239 0.000 1.039 386 E CA -0.225 55.995 56.400 -0.301 0.000 0.881 386 E CB 0.408 29.916 29.700 -0.320 0.000 0.970 386 E HN 0.222 nan 8.360 nan 0.000 0.486 387 I N 1.377 121.784 120.570 -0.271 0.000 2.163 387 I HA -0.148 4.021 4.170 -0.002 0.000 0.240 387 I C 1.483 177.536 176.117 -0.106 0.000 1.081 387 I CA 1.166 62.369 61.300 -0.161 0.000 1.353 387 I CB -1.014 36.898 38.000 -0.147 0.000 1.054 387 I HN 0.019 nan 8.210 nan 0.000 0.407 388 R N 0.358 120.786 120.500 -0.120 0.000 2.905 388 R HA 0.039 4.378 4.340 -0.002 0.000 0.273 388 R C 1.284 177.544 176.300 -0.067 0.000 1.033 388 R CA 0.324 56.372 56.100 -0.086 0.000 1.182 388 R CB 0.535 30.779 30.300 -0.092 0.000 1.097 388 R HN 0.197 nan 8.270 nan 0.000 0.504 389 R N -0.695 119.777 120.500 -0.046 0.000 1.193 389 R HA -0.300 4.039 4.340 -0.002 0.000 0.018 389 R C 1.659 177.957 176.300 -0.004 0.000 0.960 389 R CA 1.843 57.928 56.100 -0.026 0.000 1.987 389 R CB -1.574 28.714 30.300 -0.020 0.000 0.132 389 R HN 0.592 nan 8.270 nan 0.000 0.732 390 L N 1.662 122.894 121.223 0.015 0.000 2.079 390 L HA -0.057 4.282 4.340 -0.002 0.000 0.210 390 L C 1.201 178.094 176.870 0.039 0.000 1.081 390 L CA 1.176 56.049 54.840 0.055 0.000 0.752 390 L CB -0.389 41.708 42.059 0.062 0.000 0.896 390 L HN 0.292 nan 8.230 nan 0.000 0.433 391 E N 0.646 120.851 120.200 0.008 0.000 1.939 391 E HA -0.024 4.325 4.350 -0.002 0.000 0.259 391 E C 0.493 177.085 176.600 -0.013 0.000 1.259 391 E CA 0.457 56.857 56.400 0.000 0.000 0.971 391 E CB 0.255 29.945 29.700 -0.018 0.000 1.055 391 E HN 0.248 nan 8.360 nan 0.000 0.420 392 R N 2.003 122.500 120.500 -0.004 0.000 1.835 392 R HA -0.154 4.185 4.340 -0.002 0.000 0.030 392 R C 1.286 177.570 176.300 -0.027 0.000 0.832 392 R CA 0.099 56.185 56.100 -0.024 0.000 3.432 392 R CB -0.969 29.302 30.300 -0.047 0.000 0.695 392 R HN 0.352 nan 8.270 nan 0.000 0.589 393 L N 2.481 123.662 121.223 -0.070 0.000 1.976 393 L HA -0.268 4.071 4.340 -0.002 0.000 0.223 393 L C 1.600 178.318 176.870 -0.253 0.000 1.081 393 L CA 2.728 57.437 54.840 -0.218 0.000 0.784 393 L CB -1.440 40.505 42.059 -0.191 0.000 0.896 393 L HN 0.462 nan 8.230 nan 0.000 0.438 394 D N -1.613 118.750 120.400 -0.062 0.000 2.170 394 D HA -0.240 4.399 4.640 -0.002 0.000 0.193 394 D C 2.196 178.493 176.300 -0.005 0.000 1.004 394 D CA 1.308 55.319 54.000 0.018 0.000 0.860 394 D CB -0.256 40.606 40.800 0.103 0.000 0.931 394 D HN 0.426 nan 8.370 nan 0.000 0.448 395 H N 0.261 119.302 119.070 -0.048 0.000 2.299 395 H HA 0.046 4.601 4.556 -0.002 0.000 0.302 395 H C 2.257 177.553 175.328 -0.053 0.000 1.078 395 H CA 0.872 56.898 56.048 -0.037 0.000 1.323 395 H CB -0.288 29.454 29.762 -0.033 0.000 1.381 395 H HN 0.136 nan 8.280 nan 0.000 0.498 396 L N 0.238 121.515 121.223 0.090 0.000 2.362 396 L HA -0.067 4.272 4.340 -0.002 0.000 0.219 396 L C 2.806 179.651 176.870 -0.042 0.000 1.134 396 L CA 0.644 55.497 54.840 0.021 0.000 0.807 396 L CB -0.389 41.649 42.059 -0.035 0.000 0.927 396 L HN 0.240 nan 8.230 nan 0.000 0.447 397 A N -0.438 122.297 122.820 -0.143 0.000 1.968 397 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 397 A C 2.224 179.837 177.584 0.049 0.000 1.169 397 A CA 1.002 52.971 52.037 -0.114 0.000 0.638 397 A CB -0.133 18.691 19.000 -0.293 0.000 0.812 397 A HN 0.247 nan 8.150 nan 0.000 0.446 398 E N 0.053 120.243 120.200 -0.016 0.000 2.046 398 E HA -0.149 4.200 4.350 -0.002 0.000 0.190 398 E C 1.932 178.508 176.600 -0.040 0.000 0.982 398 E CA 1.245 57.620 56.400 -0.041 0.000 0.800 398 E CB -0.308 29.302 29.700 -0.151 0.000 0.756 398 E HN 0.638 nan 8.360 nan 0.000 0.449 399 K N 0.018 120.395 120.400 -0.038 0.000 2.113 399 K HA -0.181 4.138 4.320 -0.002 0.000 0.208 399 K C 2.039 178.629 176.600 -0.016 0.000 1.047 399 K CA 1.200 57.480 56.287 -0.012 0.000 0.928 399 K CB -0.346 32.177 32.500 0.037 0.000 0.716 399 K HN 0.016 nan 8.250 nan 0.000 0.446 400 F N 1.424 121.342 119.950 -0.053 0.000 2.075 400 F HA -0.235 4.291 4.527 -0.002 0.000 0.297 400 F C 2.072 177.861 175.800 -0.017 0.000 1.113 400 F CA 1.436 59.412 58.000 -0.040 0.000 1.218 400 F CB -0.040 38.929 39.000 -0.051 0.000 0.984 400 F HN -0.034 nan 8.300 nan 0.000 0.472 401 R N 0.478 121.012 120.500 0.058 0.000 2.096 401 R HA -0.171 4.168 4.340 -0.002 0.000 0.240 401 R C 2.103 178.339 176.300 -0.107 0.000 1.139 401 R CA 1.486 57.593 56.100 0.012 0.000 0.952 401 R CB -1.449 28.893 30.300 0.071 0.000 0.854 401 R HN 0.413 nan 8.270 nan 0.000 0.436 402 Q N 0.902 120.646 119.800 -0.093 0.000 1.993 402 Q HA -0.083 4.256 4.340 -0.002 0.000 0.202 402 Q C 2.040 177.971 176.000 -0.115 0.000 0.984 402 Q CA 1.542 57.295 55.803 -0.083 0.000 0.837 402 Q CB -0.255 28.444 28.738 -0.065 0.000 0.902 402 Q HN 0.361 nan 8.270 nan 0.000 0.423 403 K N 0.140 120.441 120.400 -0.164 0.000 2.228 403 K HA 0.092 4.411 4.320 -0.002 0.000 0.202 403 K C 2.030 178.510 176.600 -0.200 0.000 1.051 403 K CA 0.670 56.864 56.287 -0.156 0.000 0.960 403 K CB 0.012 32.425 32.500 -0.144 0.000 0.743 403 K HN 0.144 nan 8.250 nan 0.000 0.458 404 A N 0.847 123.416 122.820 -0.418 0.000 1.873 404 A HA -0.141 4.178 4.320 -0.002 0.000 0.215 404 A C 2.153 179.651 177.584 -0.143 0.000 1.186 404 A CA 1.767 53.542 52.037 -0.437 0.000 0.616 404 A CB -0.537 17.824 19.000 -1.065 0.000 0.823 404 A HN 0.147 nan 8.150 nan 0.000 0.442 405 S N 0.113 115.735 115.700 -0.129 0.000 2.353 405 S HA -0.194 4.275 4.470 -0.002 0.000 0.222 405 S C 1.891 176.493 174.600 0.003 0.000 1.035 405 S CA 1.744 59.926 58.200 -0.031 0.000 1.025 405 S CB -0.644 62.542 63.200 -0.023 0.000 0.902 405 S HN 0.816 nan 8.310 nan 0.000 0.440 406 I N 0.340 120.906 120.570 -0.007 0.000 2.614 406 I HA -0.061 4.108 4.170 -0.002 0.000 0.258 406 I C 1.955 178.099 176.117 0.046 0.000 1.189 406 I CA 1.657 62.968 61.300 0.019 0.000 1.462 406 I CB -0.784 37.220 38.000 0.007 0.000 1.092 406 I HN 0.191 nan 8.210 nan 0.000 0.442 407 H N 2.152 121.216 119.070 -0.009 0.000 2.290 407 H HA -0.208 4.347 4.556 -0.002 0.000 0.298 407 H C 2.159 177.611 175.328 0.208 0.000 1.087 407 H CA 2.534 58.607 56.048 0.043 0.000 1.291 407 H CB -0.242 29.519 29.762 -0.002 0.000 1.369 407 H HN 0.700 nan 8.280 nan 0.000 0.492 408 E N -0.036 120.174 120.200 0.016 0.000 2.274 408 E HA -0.126 4.223 4.350 -0.002 0.000 0.194 408 E C 2.025 178.636 176.600 0.017 0.000 0.996 408 E CA 1.102 57.511 56.400 0.015 0.000 0.840 408 E CB -0.276 29.471 29.700 0.078 0.000 0.772 408 E HN 0.555 nan 8.360 nan 0.000 0.491 409 S N -0.242 115.480 115.700 0.037 0.000 2.500 409 S HA -0.155 4.314 4.470 -0.002 0.000 0.239 409 S C 1.454 176.088 174.600 0.058 0.000 0.989 409 S CA 0.690 58.913 58.200 0.038 0.000 0.951 409 S CB -0.720 62.504 63.200 0.041 0.000 0.759 409 S HN 0.665 nan 8.310 nan 0.000 0.523 410 W N 2.325 123.509 121.300 -0.194 0.000 2.808 410 W HA 0.132 4.791 4.660 -0.002 0.000 0.266 410 W C 2.192 178.552 176.519 -0.265 0.000 1.247 410 W CA 0.756 57.946 57.345 -0.258 0.000 1.440 410 W CB 0.034 29.282 29.460 -0.354 0.000 1.040 410 W HN 0.367 nan 8.180 nan 0.000 0.606 411 T N -2.546 111.905 114.554 -0.171 0.000 3.014 411 T HA -0.015 4.334 4.350 -0.002 0.000 0.263 411 T C 0.465 175.043 174.700 -0.205 0.000 1.078 411 T CA 0.495 62.421 62.100 -0.290 0.000 1.135 411 T CB -0.552 68.264 68.868 -0.087 0.000 0.895 411 T HN -0.156 nan 8.240 nan 0.000 0.480 412 D N 2.294 122.622 120.400 -0.120 0.000 2.482 412 D HA 0.415 5.054 4.640 -0.002 0.000 0.244 412 D C 1.226 177.461 176.300 -0.108 0.000 1.242 412 D CA 0.995 54.946 54.000 -0.081 0.000 1.097 412 D CB 0.088 40.866 40.800 -0.037 0.000 1.109 412 D HN 0.651 nan 8.370 nan 0.000 0.510 413 G N 2.066 110.794 108.800 -0.119 0.000 3.714 413 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.146 413 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.146 413 G C 1.281 176.107 174.900 -0.124 0.000 2.286 413 G CA -0.375 44.652 45.100 -0.123 0.000 1.218 413 G HN 0.226 nan 8.290 nan 0.000 0.362 414 K N 0.917 121.197 120.400 -0.199 0.000 2.001 414 K HA -0.141 4.178 4.320 -0.002 0.000 0.223 414 K C 2.024 178.592 176.600 -0.054 0.000 1.055 414 K CA 1.827 58.045 56.287 -0.114 0.000 0.965 414 K CB -0.760 31.582 32.500 -0.263 0.000 0.730 414 K HN 0.454 nan 8.250 nan 0.000 0.449 415 E N 0.463 120.617 120.200 -0.077 0.000 2.049 415 E HA -0.191 4.158 4.350 -0.002 0.000 0.198 415 E C 2.067 178.639 176.600 -0.047 0.000 1.007 415 E CA 1.531 57.898 56.400 -0.055 0.000 0.809 415 E CB -0.267 29.407 29.700 -0.044 0.000 0.749 415 E HN 0.380 nan 8.360 nan 0.000 0.450 416 A N 0.781 123.574 122.820 -0.044 0.000 1.902 416 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 416 A C 2.156 179.718 177.584 -0.037 0.000 1.181 416 A CA 2.053 54.069 52.037 -0.035 0.000 0.623 416 A CB -0.439 18.541 19.000 -0.032 0.000 0.818 416 A HN 0.220 nan 8.150 nan 0.000 0.443 417 M N -0.393 119.181 119.600 -0.044 0.000 2.175 417 M HA 0.049 4.528 4.480 -0.002 0.000 0.264 417 M C 1.801 178.059 176.300 -0.071 0.000 1.063 417 M CA 1.318 56.590 55.300 -0.046 0.000 1.119 417 M CB -0.681 31.899 32.600 -0.034 0.000 1.377 417 M HN 0.360 nan 8.290 nan 0.000 0.415 418 L N -0.820 120.344 121.223 -0.099 0.000 2.141 418 L HA -0.201 4.138 4.340 -0.002 0.000 0.209 418 L C 2.581 179.407 176.870 -0.072 0.000 1.094 418 L CA 0.937 55.691 54.840 -0.144 0.000 0.763 418 L CB -0.716 41.250 42.059 -0.156 0.000 0.908 418 L HN 0.317 nan 8.230 nan 0.000 0.437 419 Q N 0.155 119.932 119.800 -0.038 0.000 2.124 419 Q HA -0.113 4.226 4.340 -0.002 0.000 0.202 419 Q C 0.586 176.601 176.000 0.025 0.000 0.977 419 Q CA 0.959 56.759 55.803 -0.005 0.000 0.850 419 Q CB -0.113 28.620 28.738 -0.008 0.000 0.901 419 Q HN 0.392 nan 8.270 nan 0.000 0.429 420 Q N 1.393 121.196 119.800 0.005 0.000 2.320 420 Q HA -0.071 4.268 4.340 -0.002 0.000 0.311 420 Q C -0.371 175.640 176.000 0.019 0.000 1.083 420 Q CA 0.736 56.538 55.803 -0.001 0.000 1.001 420 Q CB -0.111 28.617 28.738 -0.016 0.000 1.074 420 Q HN 0.118 nan 8.270 nan 0.000 0.379 421 K N 2.778 123.147 120.400 -0.051 0.000 2.518 421 K HA 0.027 4.346 4.320 -0.002 0.000 0.244 421 K C 0.022 176.415 176.600 -0.345 0.000 1.232 421 K CA -0.062 56.087 56.287 -0.229 0.000 1.189 421 K CB 0.067 32.386 32.500 -0.302 0.000 1.737 421 K HN 0.495 nan 8.250 nan 0.000 0.333 422 D N -0.423 119.889 120.400 -0.147 0.000 2.312 422 D HA -0.213 4.426 4.640 -0.002 0.000 0.211 422 D C 1.307 177.554 176.300 -0.089 0.000 0.964 422 D CA 0.737 54.687 54.000 -0.084 0.000 0.877 422 D CB -0.276 40.529 40.800 0.007 0.000 0.924 422 D HN 0.610 nan 8.370 nan 0.000 0.515 423 Y N -0.850 119.426 120.300 -0.041 0.000 2.500 423 Y HA 0.366 4.915 4.550 -0.002 0.000 0.270 423 Y C 1.676 177.559 175.900 -0.028 0.000 1.134 423 Y CA -0.170 57.905 58.100 -0.042 0.000 1.293 423 Y CB -0.035 38.384 38.460 -0.068 0.000 1.063 423 Y HN -0.196 nan 8.280 nan 0.000 0.534 424 E N 1.426 121.230 120.200 -0.659 0.000 2.024 424 E HA 0.003 4.352 4.350 -0.002 0.000 0.190 424 E C 0.408 176.908 176.600 -0.167 0.000 0.974 424 E CA 1.366 57.532 56.400 -0.391 0.000 0.810 424 E CB -0.477 28.959 29.700 -0.440 0.000 0.775 424 E HN 0.439 nan 8.360 nan 0.000 0.453 425 T N -0.033 114.426 114.554 -0.157 0.000 2.767 425 T HA 0.725 5.074 4.350 -0.002 0.000 0.288 425 T C 0.049 174.710 174.700 -0.064 0.000 0.963 425 T CA -0.132 61.917 62.100 -0.085 0.000 1.019 425 T CB 1.815 70.638 68.868 -0.076 0.000 0.923 425 T HN 0.294 nan 8.240 nan 0.000 0.468 426 A N 2.794 125.595 122.820 -0.031 0.000 3.828 426 A HA 0.803 5.122 4.320 -0.002 0.000 0.260 426 A C -0.344 177.243 177.584 0.004 0.000 0.983 426 A CA -0.463 51.567 52.037 -0.012 0.000 0.549 426 A CB 0.081 19.078 19.000 -0.006 0.000 1.718 426 A HN 1.553 nan 8.150 nan 0.000 0.841 427 T N -2.350 112.214 114.554 0.017 0.000 2.864 427 T HA 0.544 4.893 4.350 -0.002 0.000 0.299 427 T C 0.649 175.373 174.700 0.040 0.000 1.166 427 T CA 0.145 62.263 62.100 0.030 0.000 1.007 427 T CB 1.065 69.949 68.868 0.026 0.000 1.219 427 T HN 1.750 nan 8.240 nan 0.000 0.506 428 L N 1.967 123.224 121.223 0.057 0.000 2.013 428 L HA -0.104 4.235 4.340 -0.002 0.000 0.212 428 L C 2.759 179.660 176.870 0.051 0.000 1.073 428 L CA 3.021 57.898 54.840 0.060 0.000 0.753 428 L CB -1.276 40.834 42.059 0.085 0.000 0.890 428 L HN 0.966 nan 8.230 nan 0.000 0.432 429 S N -1.260 114.470 115.700 0.051 0.000 2.359 429 S HA -0.230 4.239 4.470 -0.002 0.000 0.223 429 S C 1.829 176.450 174.600 0.036 0.000 1.039 429 S CA 1.394 59.619 58.200 0.042 0.000 1.042 429 S CB -0.782 62.442 63.200 0.040 0.000 0.915 429 S HN 0.548 nan 8.310 nan 0.000 0.439 430 E N 1.629 121.848 120.200 0.032 0.000 2.072 430 E HA -0.050 4.299 4.350 -0.002 0.000 0.191 430 E C 2.274 178.893 176.600 0.032 0.000 0.985 430 E CA 1.243 57.660 56.400 0.028 0.000 0.801 430 E CB -0.566 29.146 29.700 0.020 0.000 0.750 430 E HN 0.841 nan 8.360 nan 0.000 0.452 431 I N -0.416 120.175 120.570 0.036 0.000 2.226 431 I HA -0.192 3.977 4.170 -0.002 0.000 0.245 431 I C 2.061 178.200 176.117 0.037 0.000 1.100 431 I CA 1.457 62.782 61.300 0.042 0.000 1.374 431 I CB -0.323 37.707 38.000 0.049 0.000 1.057 431 I HN -0.171 nan 8.210 nan 0.000 0.413 432 K N 1.408 121.829 120.400 0.034 0.000 2.097 432 K HA -0.017 4.302 4.320 -0.002 0.000 0.206 432 K C 2.354 178.977 176.600 0.038 0.000 1.049 432 K CA 1.417 57.724 56.287 0.032 0.000 0.933 432 K CB -0.435 32.083 32.500 0.031 0.000 0.717 432 K HN 0.513 nan 8.250 nan 0.000 0.442 433 A N 1.547 124.390 122.820 0.038 0.000 1.873 433 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 433 A C 2.114 179.727 177.584 0.048 0.000 1.193 433 A CA 1.538 53.599 52.037 0.040 0.000 0.629 433 A CB -0.836 18.184 19.000 0.034 0.000 0.826 433 A HN 0.194 nan 8.150 nan 0.000 0.447 434 L N -1.295 119.958 121.223 0.050 0.000 2.131 434 L HA -0.155 4.184 4.340 -0.002 0.000 0.210 434 L C 2.435 179.360 176.870 0.092 0.000 1.092 434 L CA 0.866 55.744 54.840 0.063 0.000 0.759 434 L CB -0.451 41.642 42.059 0.056 0.000 0.903 434 L HN 0.421 nan 8.230 nan 0.000 0.435 435 L N -0.362 120.907 121.223 0.077 0.000 2.313 435 L HA -0.099 4.240 4.340 -0.002 0.000 0.214 435 L C 2.177 179.120 176.870 0.121 0.000 1.119 435 L CA 1.612 56.511 54.840 0.099 0.000 0.809 435 L CB -0.425 41.651 42.059 0.029 0.000 0.933 435 L HN 0.090 nan 8.230 nan 0.000 0.449 436 K N -1.091 119.360 120.400 0.085 0.000 2.262 436 K HA -0.005 4.314 4.320 -0.002 0.000 0.200 436 K C 1.920 178.563 176.600 0.072 0.000 1.049 436 K CA 0.490 56.820 56.287 0.072 0.000 0.979 436 K CB 0.147 32.677 32.500 0.051 0.000 0.773 436 K HN 0.212 nan 8.250 nan 0.000 0.474 437 K N 0.038 120.484 120.400 0.078 0.000 2.057 437 K HA -0.180 4.139 4.320 -0.002 0.000 0.206 437 K C 2.024 178.671 176.600 0.078 0.000 1.050 437 K CA 1.462 57.794 56.287 0.075 0.000 0.935 437 K CB -0.203 32.340 32.500 0.071 0.000 0.715 437 K HN 0.179 nan 8.250 nan 0.000 0.439 438 H N 1.398 120.497 119.070 0.048 0.000 2.352 438 H HA -0.069 4.486 4.556 -0.002 0.000 0.299 438 H C 1.722 177.109 175.328 0.098 0.000 1.097 438 H CA 1.557 57.634 56.048 0.049 0.000 1.311 438 H CB 0.218 29.969 29.762 -0.018 0.000 1.377 438 H HN 0.115 nan 8.280 nan 0.000 0.504 439 E N -0.218 120.025 120.200 0.072 0.000 2.333 439 E HA -0.102 4.247 4.350 -0.002 0.000 0.198 439 E C 1.833 178.448 176.600 0.024 0.000 1.007 439 E CA 0.793 57.224 56.400 0.052 0.000 0.845 439 E CB -0.117 29.627 29.700 0.074 0.000 0.766 439 E HN 0.624 nan 8.360 nan 0.000 0.507 440 A N -0.365 122.471 122.820 0.027 0.000 2.238 440 A HA 0.040 4.359 4.320 -0.002 0.000 0.210 440 A C 1.681 179.291 177.584 0.044 0.000 1.179 440 A CA -0.186 51.873 52.037 0.037 0.000 0.827 440 A CB -0.266 18.762 19.000 0.046 0.000 0.856 440 A HN 0.187 nan 8.150 nan 0.000 0.488 441 F N 1.234 121.084 119.950 -0.165 0.000 2.053 441 F HA -0.089 4.437 4.527 -0.002 0.000 0.292 441 F C 2.200 177.934 175.800 -0.111 0.000 1.125 441 F CA 1.927 59.816 58.000 -0.185 0.000 1.193 441 F CB -0.076 38.704 39.000 -0.367 0.000 0.996 441 F HN 0.201 nan 8.300 nan 0.000 0.470 442 E N -0.092 120.128 120.200 0.033 0.000 2.200 442 E HA -0.323 4.026 4.350 -0.002 0.000 0.211 442 E C 2.308 178.926 176.600 0.029 0.000 1.048 442 E CA 1.703 58.121 56.400 0.030 0.000 0.851 442 E CB -1.270 28.453 29.700 0.039 0.000 0.747 442 E HN 0.398 nan 8.360 nan 0.000 0.462 443 S N 0.561 116.275 115.700 0.023 0.000 2.406 443 S HA -0.149 4.320 4.470 -0.002 0.000 0.228 443 S C 1.649 176.276 174.600 0.045 0.000 1.020 443 S CA 1.397 59.617 58.200 0.033 0.000 0.965 443 S CB -0.124 63.094 63.200 0.030 0.000 0.798 443 S HN 0.359 nan 8.310 nan 0.000 0.488 444 D N 1.175 121.607 120.400 0.053 0.000 2.084 444 D HA -0.119 4.520 4.640 -0.002 0.000 0.194 444 D C 2.094 178.579 176.300 0.308 0.000 0.990 444 D CA 1.207 55.310 54.000 0.171 0.000 0.826 444 D CB -0.617 40.250 40.800 0.112 0.000 0.971 444 D HN 0.326 nan 8.370 nan 0.000 0.453 445 L N 0.776 122.125 121.223 0.210 0.000 1.997 445 L HA -0.239 4.100 4.340 -0.002 0.000 0.216 445 L C 2.372 179.438 176.870 0.328 0.000 1.074 445 L CA 2.510 57.530 54.840 0.301 0.000 0.763 445 L CB -1.577 40.473 42.059 -0.016 0.000 0.890 445 L HN 0.262 nan 8.230 nan 0.000 0.434 446 A N -0.346 122.583 122.820 0.181 0.000 1.958 446 A HA -0.230 4.089 4.320 -0.002 0.000 0.221 446 A C 2.449 180.076 177.584 0.073 0.000 1.178 446 A CA 2.292 54.417 52.037 0.147 0.000 0.642 446 A CB -0.846 18.201 19.000 0.079 0.000 0.816 446 A HN 0.666 nan 8.150 nan 0.000 0.453 447 A N -1.134 121.651 122.820 -0.058 0.000 1.897 447 A HA -0.132 4.187 4.320 -0.002 0.000 0.215 447 A C 1.774 179.137 177.584 -0.368 0.000 1.181 447 A CA 1.229 53.112 52.037 -0.256 0.000 0.620 447 A CB -0.828 17.926 19.000 -0.410 0.000 0.821 447 A HN 0.707 nan 8.150 nan 0.000 0.443 448 H N -0.765 118.255 119.070 -0.083 0.000 2.553 448 H HA 0.023 4.578 4.556 -0.002 0.000 0.269 448 H C 1.710 176.957 175.328 -0.135 0.000 1.011 448 H CA 0.836 56.745 56.048 -0.232 0.000 1.150 448 H CB 0.106 29.390 29.762 -0.796 0.000 1.339 448 H HN 0.542 nan 8.280 nan 0.000 0.604 449 Q N 1.328 121.113 119.800 -0.026 0.000 2.062 449 Q HA -0.116 4.223 4.340 -0.002 0.000 0.196 449 Q C 1.839 177.634 176.000 -0.343 0.000 0.967 449 Q CA 0.771 56.397 55.803 -0.295 0.000 0.832 449 Q CB -0.048 28.703 28.738 0.021 0.000 0.899 449 Q HN 0.409 nan 8.270 nan 0.000 0.442 450 D N 0.645 120.918 120.400 -0.211 0.000 2.133 450 D HA -0.244 4.395 4.640 -0.002 0.000 0.192 450 D C 1.915 178.083 176.300 -0.220 0.000 1.001 450 D CA 1.268 55.155 54.000 -0.188 0.000 0.844 450 D CB -0.053 40.658 40.800 -0.148 0.000 0.944 450 D HN 0.191 nan 8.370 nan 0.000 0.447 451 R N -0.048 120.306 120.500 -0.243 0.000 2.091 451 R HA -0.134 4.205 4.340 -0.002 0.000 0.238 451 R C 2.455 178.546 176.300 -0.348 0.000 1.136 451 R CA 1.425 57.373 56.100 -0.252 0.000 0.959 451 R CB -0.074 30.105 30.300 -0.203 0.000 0.856 451 R HN 0.139 nan 8.270 nan 0.000 0.437 452 V N 1.168 120.780 119.914 -0.504 0.000 2.427 452 V HA -0.167 3.952 4.120 -0.002 0.000 0.248 452 V C 2.142 178.029 176.094 -0.345 0.000 1.051 452 V CA 1.605 63.578 62.300 -0.544 0.000 1.048 452 V CB -0.414 30.941 31.823 -0.780 0.000 0.666 452 V HN 0.310 nan 8.190 nan 0.000 0.456 453 E N 0.091 120.109 120.200 -0.303 0.000 2.028 453 E HA -0.187 4.162 4.350 -0.002 0.000 0.191 453 E C 2.319 178.832 176.600 -0.146 0.000 0.988 453 E CA 1.010 57.290 56.400 -0.199 0.000 0.799 453 E CB -0.491 29.103 29.700 -0.177 0.000 0.755 453 E HN 0.560 nan 8.360 nan 0.000 0.447 454 Q N 0.551 120.262 119.800 -0.147 0.000 2.045 454 Q HA -0.150 4.189 4.340 -0.002 0.000 0.206 454 Q C 2.539 178.490 176.000 -0.083 0.000 0.991 454 Q CA 1.155 56.893 55.803 -0.108 0.000 0.851 454 Q CB -0.513 28.157 28.738 -0.113 0.000 0.911 454 Q HN 0.377 nan 8.270 nan 0.000 0.418 455 I N 0.648 121.150 120.570 -0.113 0.000 2.163 455 I HA -0.310 3.859 4.170 -0.002 0.000 0.243 455 I C 2.439 178.580 176.117 0.039 0.000 1.085 455 I CA 1.040 62.306 61.300 -0.056 0.000 1.347 455 I CB -0.579 37.333 38.000 -0.147 0.000 1.044 455 I HN 0.100 nan 8.210 nan 0.000 0.408 456 A N 1.087 123.890 122.820 -0.028 0.000 1.836 456 A HA -0.260 4.059 4.320 -0.002 0.000 0.215 456 A C 2.597 180.173 177.584 -0.013 0.000 1.214 456 A CA 2.386 54.413 52.037 -0.016 0.000 0.636 456 A CB -1.382 17.581 19.000 -0.061 0.000 0.847 456 A HN 0.418 nan 8.150 nan 0.000 0.451 457 A N -0.524 122.275 122.820 -0.037 0.000 1.954 457 A HA -0.241 4.078 4.320 -0.002 0.000 0.222 457 A C 2.136 179.704 177.584 -0.027 0.000 1.199 457 A CA 2.194 54.210 52.037 -0.036 0.000 0.657 457 A CB -0.821 18.151 19.000 -0.047 0.000 0.823 457 A HN 0.578 nan 8.150 nan 0.000 0.463 458 I N -1.131 119.433 120.570 -0.010 0.000 2.480 458 I HA -0.116 4.053 4.170 -0.002 0.000 0.251 458 I C 2.883 178.998 176.117 -0.003 0.000 1.124 458 I CA 0.757 62.055 61.300 -0.003 0.000 1.444 458 I CB -0.290 37.719 38.000 0.015 0.000 1.098 458 I HN 0.343 nan 8.210 nan 0.000 0.428 459 A N 0.243 123.084 122.820 0.035 0.000 1.930 459 A HA -0.242 4.077 4.320 -0.002 0.000 0.217 459 A C 2.331 179.862 177.584 -0.088 0.000 1.175 459 A CA 1.406 53.414 52.037 -0.050 0.000 0.627 459 A CB -0.595 18.391 19.000 -0.024 0.000 0.815 459 A HN 0.412 nan 8.150 nan 0.000 0.443 460 Q N 0.063 119.832 119.800 -0.052 0.000 2.061 460 Q HA -0.265 4.074 4.340 -0.002 0.000 0.204 460 Q C 2.014 177.980 176.000 -0.057 0.000 0.984 460 Q CA 2.300 58.072 55.803 -0.052 0.000 0.846 460 Q CB -0.311 28.403 28.738 -0.039 0.000 0.902 460 Q HN 0.824 nan 8.270 nan 0.000 0.421 461 E N -0.176 119.991 120.200 -0.056 0.000 2.097 461 E HA -0.220 4.129 4.350 -0.002 0.000 0.196 461 E C 2.236 178.786 176.600 -0.083 0.000 1.000 461 E CA 1.178 57.541 56.400 -0.061 0.000 0.804 461 E CB -0.184 29.482 29.700 -0.057 0.000 0.740 461 E HN 0.285 nan 8.360 nan 0.000 0.454 462 L N 1.653 122.806 121.223 -0.118 0.000 2.043 462 L HA -0.268 4.071 4.340 -0.002 0.000 0.212 462 L C 1.915 178.714 176.870 -0.118 0.000 1.075 462 L CA 1.706 56.438 54.840 -0.181 0.000 0.752 462 L CB -0.542 41.357 42.059 -0.267 0.000 0.891 462 L HN 0.219 nan 8.230 nan 0.000 0.432 463 N N -0.245 118.403 118.700 -0.087 0.000 2.000 463 N HA -0.216 4.523 4.740 -0.002 0.000 0.198 463 N C 1.549 177.041 175.510 -0.031 0.000 1.057 463 N CA 1.833 54.855 53.050 -0.048 0.000 0.858 463 N CB -0.426 38.031 38.487 -0.050 0.000 1.057 463 N HN 0.412 nan 8.380 nan 0.000 0.423 464 E N 0.639 120.818 120.200 -0.036 0.000 2.273 464 E HA -0.147 4.202 4.350 -0.002 0.000 0.198 464 E C 1.065 177.652 176.600 -0.021 0.000 1.002 464 E CA 0.719 57.102 56.400 -0.027 0.000 0.828 464 E CB -0.163 29.518 29.700 -0.031 0.000 0.747 464 E HN 0.295 nan 8.360 nan 0.000 0.491 465 L N 1.069 122.277 121.223 -0.025 0.000 2.872 465 L HA 0.125 4.464 4.340 -0.002 0.000 0.245 465 L C -0.554 176.325 176.870 0.015 0.000 1.211 465 L CA -0.111 54.720 54.840 -0.016 0.000 1.013 465 L CB -0.216 41.822 42.059 -0.035 0.000 1.326 465 L HN -0.140 nan 8.230 nan 0.000 0.525 466 D N 0.097 120.516 120.400 0.030 0.000 3.729 466 D HA -0.289 4.350 4.640 -0.002 0.000 0.242 466 D C -0.740 175.643 176.300 0.138 0.000 1.091 466 D CA 0.822 54.861 54.000 0.064 0.000 1.096 466 D CB -0.659 40.172 40.800 0.052 0.000 0.901 466 D HN 0.150 nan 8.370 nan 0.000 0.416 467 Y N 1.476 121.729 120.300 -0.078 0.000 2.446 467 Y HA 0.349 4.898 4.550 -0.002 0.000 0.345 467 Y C 0.991 176.775 175.900 -0.194 0.000 0.984 467 Y CA -1.069 56.930 58.100 -0.169 0.000 1.058 467 Y CB 0.879 39.179 38.460 -0.267 0.000 1.220 467 Y HN 0.208 nan 8.280 nan 0.000 0.455 468 Y N 0.134 120.178 120.300 -0.427 0.000 2.314 468 Y HA 0.051 4.599 4.550 -0.002 0.000 0.293 468 Y C 1.244 176.959 175.900 -0.308 0.000 1.129 468 Y CA 1.375 59.273 58.100 -0.338 0.000 1.201 468 Y CB -0.196 38.068 38.460 -0.327 0.000 0.999 468 Y HN 0.516 nan 8.280 nan 0.000 0.541 469 D N 0.509 120.350 120.400 -0.932 0.000 2.319 469 D HA -0.025 4.614 4.640 -0.002 0.000 0.230 469 D C 2.046 178.259 176.300 -0.144 0.000 1.094 469 D CA 0.690 54.477 54.000 -0.355 0.000 0.856 469 D CB -0.103 40.516 40.800 -0.301 0.000 0.915 469 D HN 0.440 nan 8.370 nan 0.000 0.517 470 S N 0.385 116.030 115.700 -0.091 0.000 2.353 470 S HA -0.091 4.378 4.470 -0.002 0.000 0.222 470 S C -0.739 173.810 174.600 -0.085 0.000 1.035 470 S CA 0.698 58.859 58.200 -0.064 0.000 1.025 470 S CB -1.334 61.851 63.200 -0.025 0.000 0.902 470 S HN 0.112 nan 8.310 nan 0.000 0.440 471 P HA 0.212 nan 4.420 nan 0.000 0.239 471 P C 0.678 177.956 177.300 -0.037 0.000 1.184 471 P CA 0.682 63.758 63.100 -0.041 0.000 0.760 471 P CB -0.047 31.640 31.700 -0.021 0.000 0.884 472 S N -1.106 114.561 115.700 -0.054 0.000 2.510 472 S HA -0.035 4.434 4.470 -0.002 0.000 0.230 472 S C 1.912 176.473 174.600 -0.063 0.000 1.066 472 S CA 0.728 58.909 58.200 -0.033 0.000 0.941 472 S CB -1.105 62.089 63.200 -0.010 0.000 0.829 472 S HN 0.112 nan 8.310 nan 0.000 0.530 473 V N 2.587 122.378 119.914 -0.206 0.000 2.287 473 V HA -0.209 3.909 4.120 -0.002 0.000 0.248 473 V C 1.851 177.756 176.094 -0.314 0.000 1.053 473 V CA 1.978 63.965 62.300 -0.521 0.000 1.027 473 V CB -1.283 29.791 31.823 -1.249 0.000 0.646 473 V HN 0.220 nan 8.190 nan 0.000 0.447 474 N N 2.074 120.643 118.700 -0.218 0.000 2.021 474 N HA -0.195 4.544 4.740 -0.002 0.000 0.198 474 N C 2.010 177.517 175.510 -0.005 0.000 1.041 474 N CA 2.634 55.635 53.050 -0.081 0.000 0.862 474 N CB -1.109 37.335 38.487 -0.070 0.000 1.048 474 N HN 0.671 nan 8.380 nan 0.000 0.427 475 A N 0.999 123.818 122.820 -0.002 0.000 1.940 475 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 475 A C 2.282 179.905 177.584 0.065 0.000 1.176 475 A CA 1.509 53.563 52.037 0.029 0.000 0.631 475 A CB -0.493 18.520 19.000 0.022 0.000 0.814 475 A HN 0.279 nan 8.150 nan 0.000 0.446 476 R N -0.804 119.753 120.500 0.095 0.000 2.062 476 R HA -0.154 4.185 4.340 -0.002 0.000 0.231 476 R C 2.359 178.769 176.300 0.182 0.000 1.136 476 R CA 1.831 58.022 56.100 0.153 0.000 0.948 476 R CB -0.847 29.588 30.300 0.225 0.000 0.845 476 R HN 0.564 nan 8.270 nan 0.000 0.430 477 C N 1.123 120.561 119.300 0.230 0.000 2.435 477 C HA -0.026 4.433 4.460 -0.002 0.000 0.279 477 C C 2.604 177.674 174.990 0.133 0.000 1.321 477 C CA 0.846 60.004 59.018 0.233 0.000 1.752 477 C CB -0.698 27.225 27.740 0.306 0.000 1.959 477 C HN 0.539 nan 8.230 nan 0.000 0.500 478 Q N 0.120 119.978 119.800 0.096 0.000 2.079 478 Q HA -0.162 4.177 4.340 -0.002 0.000 0.200 478 Q C 2.143 178.198 176.000 0.091 0.000 0.974 478 Q CA 1.389 57.236 55.803 0.074 0.000 0.840 478 Q CB -0.170 28.598 28.738 0.050 0.000 0.898 478 Q HN 0.680 nan 8.270 nan 0.000 0.430 479 K N 0.372 120.832 120.400 0.100 0.000 2.360 479 K HA -0.073 4.246 4.320 -0.002 0.000 0.201 479 K C 1.808 178.495 176.600 0.145 0.000 1.046 479 K CA 0.648 57.001 56.287 0.109 0.000 0.945 479 K CB 0.027 32.586 32.500 0.099 0.000 0.750 479 K HN 0.231 nan 8.250 nan 0.000 0.464 480 I N 0.217 120.888 120.570 0.167 0.000 2.353 480 I HA -0.286 3.883 4.170 -0.002 0.000 0.248 480 I C 1.991 178.256 176.117 0.247 0.000 1.119 480 I CA 0.869 62.309 61.300 0.233 0.000 1.417 480 I CB -0.015 38.121 38.000 0.227 0.000 1.078 480 I HN 0.251 nan 8.210 nan 0.000 0.421 481 C N 0.131 119.526 119.300 0.159 0.000 2.505 481 C HA -0.044 4.415 4.460 -0.002 0.000 0.279 481 C C 2.278 177.384 174.990 0.195 0.000 1.316 481 C CA 0.043 59.148 59.018 0.146 0.000 1.720 481 C CB -0.868 26.900 27.740 0.046 0.000 2.050 481 C HN 0.479 nan 8.230 nan 0.000 0.493 482 D N 0.680 121.169 120.400 0.147 0.000 2.221 482 D HA -0.175 4.464 4.640 -0.002 0.000 0.204 482 D C 2.079 178.468 176.300 0.148 0.000 0.982 482 D CA 1.089 55.167 54.000 0.129 0.000 0.857 482 D CB -0.487 40.371 40.800 0.096 0.000 0.934 482 D HN 0.647 nan 8.370 nan 0.000 0.475 483 Q N -0.659 119.251 119.800 0.182 0.000 2.008 483 Q HA -0.124 4.215 4.340 -0.002 0.000 0.196 483 Q C 2.108 178.255 176.000 0.245 0.000 0.973 483 Q CA 0.747 56.662 55.803 0.187 0.000 0.826 483 Q CB -0.216 28.636 28.738 0.190 0.000 0.894 483 Q HN 0.350 nan 8.270 nan 0.000 0.439 484 W N 2.262 123.657 121.300 0.159 0.000 2.301 484 W HA -0.277 4.382 4.660 -0.002 0.000 0.325 484 W C 1.582 178.180 176.519 0.132 0.000 1.250 484 W CA 2.261 59.717 57.345 0.186 0.000 1.261 484 W CB -0.840 28.746 29.460 0.209 0.000 1.157 484 W HN 0.366 nan 8.180 nan 0.000 0.473 485 D N 0.017 120.695 120.400 0.463 0.000 2.133 485 D HA -0.261 4.378 4.640 -0.002 0.000 0.195 485 D C 1.771 178.161 176.300 0.149 0.000 0.997 485 D CA 1.959 56.150 54.000 0.318 0.000 0.840 485 D CB -0.336 40.607 40.800 0.239 0.000 0.947 485 D HN 0.240 nan 8.370 nan 0.000 0.452 486 N N -0.095 118.676 118.700 0.119 0.000 2.058 486 N HA -0.174 4.565 4.740 -0.002 0.000 0.191 486 N C 1.978 177.501 175.510 0.021 0.000 1.037 486 N CA 1.009 54.098 53.050 0.065 0.000 0.848 486 N CB -0.354 38.173 38.487 0.067 0.000 1.021 486 N HN 0.088 nan 8.380 nan 0.000 0.422 487 L N 0.535 121.758 121.223 -0.001 0.000 2.013 487 L HA 0.011 4.350 4.340 -0.002 0.000 0.212 487 L C 2.094 178.897 176.870 -0.111 0.000 1.073 487 L CA 2.403 57.203 54.840 -0.066 0.000 0.753 487 L CB -1.407 40.595 42.059 -0.096 0.000 0.890 487 L HN 0.272 nan 8.230 nan 0.000 0.432 488 G N -0.854 107.828 108.800 -0.197 0.000 2.491 488 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.218 488 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.218 488 G C 1.618 176.500 174.900 -0.030 0.000 1.180 488 G CA 1.519 46.527 45.100 -0.153 0.000 0.774 488 G HN 0.762 nan 8.290 nan 0.000 0.562 489 A N 0.672 123.492 122.820 0.000 0.000 1.865 489 A HA -0.017 4.302 4.320 -0.002 0.000 0.217 489 A C 2.424 180.001 177.584 -0.010 0.000 1.191 489 A CA 1.625 53.668 52.037 0.010 0.000 0.623 489 A CB -0.575 18.440 19.000 0.024 0.000 0.826 489 A HN 0.294 nan 8.150 nan 0.000 0.444 490 L N -0.174 121.037 121.223 -0.020 0.000 2.043 490 L HA -0.182 4.157 4.340 -0.002 0.000 0.212 490 L C 2.673 179.509 176.870 -0.057 0.000 1.075 490 L CA 2.560 57.378 54.840 -0.037 0.000 0.752 490 L CB -1.919 40.117 42.059 -0.038 0.000 0.891 490 L HN 0.418 nan 8.230 nan 0.000 0.432 491 T N -1.239 113.292 114.554 -0.039 0.000 2.867 491 T HA -0.182 4.167 4.350 -0.002 0.000 0.268 491 T C 1.880 176.580 174.700 0.000 0.000 1.057 491 T CA 0.799 62.888 62.100 -0.018 0.000 1.136 491 T CB -0.031 68.879 68.868 0.071 0.000 0.874 491 T HN 0.285 nan 8.240 nan 0.000 0.466 492 Q N 0.932 120.732 119.800 -0.000 0.000 2.119 492 Q HA -0.115 4.224 4.340 -0.002 0.000 0.201 492 Q C 1.779 177.743 176.000 -0.059 0.000 0.972 492 Q CA 1.139 56.937 55.803 -0.008 0.000 0.847 492 Q CB 0.009 28.753 28.738 0.009 0.000 0.903 492 Q HN 0.298 nan 8.270 nan 0.000 0.433 493 K N 0.245 120.601 120.400 -0.073 0.000 2.365 493 K HA -0.083 4.236 4.320 -0.002 0.000 0.199 493 K C 1.931 178.420 176.600 -0.185 0.000 1.045 493 K CA 0.586 56.810 56.287 -0.105 0.000 0.962 493 K CB -0.134 32.319 32.500 -0.079 0.000 0.759 493 K HN 0.209 nan 8.250 nan 0.000 0.469 494 R N 1.062 121.435 120.500 -0.211 0.000 2.112 494 R HA 0.073 4.412 4.340 -0.002 0.000 0.216 494 R C 2.328 178.361 176.300 -0.444 0.000 1.080 494 R CA 0.507 56.401 56.100 -0.343 0.000 0.996 494 R CB 0.106 30.240 30.300 -0.276 0.000 0.902 494 R HN 0.013 nan 8.270 nan 0.000 0.449 495 R N 0.680 120.966 120.500 -0.356 0.000 2.081 495 R HA -0.118 4.221 4.340 -0.002 0.000 0.235 495 R C 1.662 177.803 176.300 -0.265 0.000 1.131 495 R CA 1.594 57.473 56.100 -0.368 0.000 0.960 495 R CB -0.026 30.197 30.300 -0.129 0.000 0.856 495 R HN 0.225 nan 8.270 nan 0.000 0.436 496 E N 0.097 120.177 120.200 -0.200 0.000 2.171 496 E HA -0.209 4.140 4.350 -0.002 0.000 0.197 496 E C 1.776 178.244 176.600 -0.220 0.000 0.997 496 E CA 1.329 57.627 56.400 -0.171 0.000 0.810 496 E CB -0.104 29.517 29.700 -0.132 0.000 0.738 496 E HN 0.475 nan 8.360 nan 0.000 0.467 497 A N 0.761 123.381 122.820 -0.333 0.000 1.897 497 A HA -0.077 4.242 4.320 -0.002 0.000 0.215 497 A C 2.311 179.672 177.584 -0.373 0.000 1.181 497 A CA 0.794 52.561 52.037 -0.449 0.000 0.620 497 A CB -0.454 17.997 19.000 -0.915 0.000 0.821 497 A HN 0.135 nan 8.150 nan 0.000 0.443 498 L N -0.641 120.362 121.223 -0.368 0.000 2.095 498 L HA -0.078 4.261 4.340 -0.002 0.000 0.204 498 L C 2.365 179.144 176.870 -0.151 0.000 1.080 498 L CA 0.893 55.593 54.840 -0.233 0.000 0.759 498 L CB -0.515 41.369 42.059 -0.293 0.000 0.914 498 L HN 0.304 nan 8.230 nan 0.000 0.439 499 E N 0.124 120.229 120.200 -0.159 0.000 2.333 499 E HA -0.227 4.122 4.350 -0.002 0.000 0.198 499 E C 2.054 178.593 176.600 -0.102 0.000 1.007 499 E CA 0.849 57.185 56.400 -0.108 0.000 0.845 499 E CB -0.045 29.597 29.700 -0.097 0.000 0.766 499 E HN 0.439 nan 8.360 nan 0.000 0.507 500 R N 0.586 121.012 120.500 -0.123 0.000 2.074 500 R HA -0.049 4.290 4.340 -0.002 0.000 0.218 500 R C 2.375 178.612 176.300 -0.106 0.000 1.137 500 R CA 1.556 57.580 56.100 -0.127 0.000 0.998 500 R CB -0.117 30.095 30.300 -0.147 0.000 0.895 500 R HN 0.165 nan 8.270 nan 0.000 0.442 501 T N -0.735 113.782 114.554 -0.062 0.000 2.995 501 T HA -0.050 4.299 4.350 -0.002 0.000 0.269 501 T C 1.664 176.363 174.700 -0.001 0.000 1.091 501 T CA 0.716 62.813 62.100 -0.004 0.000 1.128 501 T CB -0.004 68.927 68.868 0.105 0.000 0.891 501 T HN 0.188 nan 8.240 nan 0.000 0.492 502 E N 2.099 122.289 120.200 -0.016 0.000 2.051 502 E HA -0.183 4.166 4.350 -0.002 0.000 0.192 502 E C 2.151 178.740 176.600 -0.019 0.000 0.991 502 E CA 1.311 57.704 56.400 -0.011 0.000 0.799 502 E CB -0.260 29.428 29.700 -0.020 0.000 0.748 502 E HN 0.629 nan 8.360 nan 0.000 0.449 503 K N 0.221 120.595 120.400 -0.044 0.000 2.057 503 K HA -0.085 4.234 4.320 -0.002 0.000 0.206 503 K C 2.548 179.116 176.600 -0.054 0.000 1.050 503 K CA 0.961 57.217 56.287 -0.053 0.000 0.935 503 K CB -0.104 32.350 32.500 -0.076 0.000 0.715 503 K HN 0.118 nan 8.250 nan 0.000 0.439 504 L N 0.844 122.024 121.223 -0.072 0.000 2.012 504 L HA -0.212 4.127 4.340 -0.002 0.000 0.210 504 L C 2.343 179.211 176.870 -0.003 0.000 1.073 504 L CA 1.229 56.039 54.840 -0.049 0.000 0.748 504 L CB -0.443 41.586 42.059 -0.050 0.000 0.891 504 L HN 0.239 nan 8.230 nan 0.000 0.431 505 L N -0.827 120.405 121.223 0.014 0.000 2.362 505 L HA -0.126 4.213 4.340 -0.002 0.000 0.219 505 L C 2.632 179.531 176.870 0.050 0.000 1.134 505 L CA 0.469 55.336 54.840 0.044 0.000 0.807 505 L CB -0.427 41.665 42.059 0.054 0.000 0.927 505 L HN 0.280 nan 8.230 nan 0.000 0.447 506 E N 0.029 120.243 120.200 0.023 0.000 2.028 506 E HA -0.143 4.206 4.350 -0.002 0.000 0.191 506 E C 2.178 178.784 176.600 0.010 0.000 0.988 506 E CA 1.754 58.164 56.400 0.017 0.000 0.799 506 E CB -0.289 29.411 29.700 -0.001 0.000 0.755 506 E HN 0.398 nan 8.360 nan 0.000 0.447 507 T N 2.144 116.694 114.554 -0.006 0.000 2.635 507 T HA -0.175 4.174 4.350 -0.002 0.000 0.267 507 T C 2.168 176.848 174.700 -0.033 0.000 1.040 507 T CA 1.528 63.616 62.100 -0.020 0.000 1.156 507 T CB -0.420 68.434 68.868 -0.024 0.000 0.863 507 T HN 0.115 nan 8.240 nan 0.000 0.430 508 I N 1.239 121.789 120.570 -0.033 0.000 2.194 508 I HA -0.234 3.935 4.170 -0.002 0.000 0.246 508 I C 2.631 178.766 176.117 0.031 0.000 1.093 508 I CA 1.448 62.697 61.300 -0.084 0.000 1.355 508 I CB -0.424 37.565 38.000 -0.019 0.000 1.046 508 I HN 0.241 nan 8.210 nan 0.000 0.413 509 D N 0.433 120.928 120.400 0.158 0.000 2.087 509 D HA -0.193 4.446 4.640 -0.002 0.000 0.192 509 D C 2.141 178.488 176.300 0.078 0.000 0.993 509 D CA 1.401 55.533 54.000 0.219 0.000 0.828 509 D CB -0.032 40.841 40.800 0.122 0.000 0.968 509 D HN 0.301 nan 8.370 nan 0.000 0.448 510 Q N -0.279 119.527 119.800 0.010 0.000 2.291 510 Q HA -0.084 4.255 4.340 -0.002 0.000 0.205 510 Q C 2.240 178.242 176.000 0.003 0.000 0.970 510 Q CA 0.492 56.285 55.803 -0.017 0.000 0.876 510 Q CB -0.049 28.675 28.738 -0.024 0.000 0.935 510 Q HN 0.333 nan 8.270 nan 0.000 0.455 511 L N -1.485 119.735 121.223 -0.003 0.000 2.298 511 L HA -0.012 4.327 4.340 -0.002 0.000 0.209 511 L C 1.859 178.781 176.870 0.088 0.000 1.084 511 L CA 0.764 55.600 54.840 -0.007 0.000 0.816 511 L CB -0.596 41.410 42.059 -0.087 0.000 0.967 511 L HN 0.045 nan 8.230 nan 0.000 0.460 512 Y N -0.466 119.907 120.300 0.122 0.000 2.207 512 Y HA -0.269 4.280 4.550 -0.002 0.000 0.287 512 Y C 2.364 178.392 175.900 0.213 0.000 1.156 512 Y CA 0.981 59.220 58.100 0.233 0.000 1.182 512 Y CB -0.637 38.023 38.460 0.334 0.000 0.979 512 Y HN 0.069 nan 8.280 nan 0.000 0.521 513 L N 0.081 121.435 121.223 0.219 0.000 1.971 513 L HA -0.245 4.094 4.340 -0.002 0.000 0.215 513 L C 2.406 179.328 176.870 0.086 0.000 1.072 513 L CA 1.997 56.875 54.840 0.062 0.000 0.758 513 L CB -0.566 41.462 42.059 -0.052 0.000 0.889 513 L HN 0.086 nan 8.230 nan 0.000 0.433 514 E N -1.377 118.873 120.200 0.084 0.000 2.077 514 E HA -0.272 4.077 4.350 -0.002 0.000 0.193 514 E C 2.124 178.778 176.600 0.091 0.000 0.989 514 E CA 1.404 57.842 56.400 0.063 0.000 0.800 514 E CB -0.517 29.205 29.700 0.038 0.000 0.746 514 E HN 0.601 nan 8.360 nan 0.000 0.452 515 Y N 1.350 121.719 120.300 0.116 0.000 2.151 515 Y HA -0.286 4.263 4.550 -0.002 0.000 0.284 515 Y C 2.204 178.204 175.900 0.166 0.000 1.166 515 Y CA 1.758 59.955 58.100 0.162 0.000 1.163 515 Y CB -0.424 38.198 38.460 0.269 0.000 0.974 515 Y HN 0.025 nan 8.280 nan 0.000 0.511 516 A N 0.125 122.989 122.820 0.073 0.000 1.855 516 A HA -0.199 4.120 4.320 -0.002 0.000 0.215 516 A C 2.331 179.901 177.584 -0.024 0.000 1.191 516 A CA 1.895 53.951 52.037 0.032 0.000 0.613 516 A CB -0.772 18.335 19.000 0.178 0.000 0.829 516 A HN 0.489 nan 8.150 nan 0.000 0.442 517 K N -0.492 119.908 120.400 -0.000 0.000 2.057 517 K HA -0.143 4.176 4.320 -0.002 0.000 0.206 517 K C 2.243 178.836 176.600 -0.012 0.000 1.050 517 K CA 1.462 57.749 56.287 -0.000 0.000 0.935 517 K CB -0.101 32.401 32.500 0.003 0.000 0.715 517 K HN 0.467 nan 8.250 nan 0.000 0.439 518 R N -0.287 120.187 120.500 -0.044 0.000 2.080 518 R HA 0.089 4.428 4.340 -0.002 0.000 0.222 518 R C 1.456 177.760 176.300 0.007 0.000 1.107 518 R CA 0.894 56.975 56.100 -0.032 0.000 0.980 518 R CB -0.038 30.212 30.300 -0.083 0.000 0.879 518 R HN 0.051 nan 8.270 nan 0.000 0.439 519 A N 0.503 123.245 122.820 -0.131 0.000 2.840 519 A HA 0.462 4.781 4.320 -0.002 0.000 0.269 519 A C 0.925 178.493 177.584 -0.027 0.000 1.439 519 A CA 0.363 52.354 52.037 -0.076 0.000 1.083 519 A CB -0.408 18.356 19.000 -0.393 0.000 1.019 519 A HN 0.393 nan 8.150 nan 0.000 0.607 520 A N 0.443 123.280 122.820 0.029 0.000 2.121 520 A HA 0.417 4.736 4.320 -0.002 0.000 0.215 520 A C -0.865 176.776 177.584 0.095 0.000 1.861 520 A CA 0.175 52.244 52.037 0.053 0.000 0.850 520 A CB -0.741 18.282 19.000 0.038 0.000 1.346 520 A HN 0.302 nan 8.150 nan 0.000 0.597 521 P HA -0.081 nan 4.420 nan 0.000 0.229 521 P C 0.751 178.194 177.300 0.239 0.000 1.150 521 P CA 0.843 64.030 63.100 0.146 0.000 0.765 521 P CB -0.044 31.726 31.700 0.117 0.000 0.783 522 F N -0.159 119.845 119.950 0.089 0.000 2.698 522 F HA 0.134 4.660 4.527 -0.002 0.000 0.295 522 F C 1.702 177.645 175.800 0.239 0.000 1.124 522 F CA 0.467 58.554 58.000 0.144 0.000 1.426 522 F CB -0.377 38.653 39.000 0.051 0.000 1.120 522 F HN -0.165 nan 8.300 nan 0.000 0.583 523 N N 0.005 118.757 118.700 0.086 0.000 2.333 523 N HA -0.109 4.630 4.740 -0.002 0.000 0.178 523 N C 1.219 176.752 175.510 0.038 0.000 1.018 523 N CA 1.354 54.424 53.050 0.033 0.000 0.882 523 N CB -0.282 38.246 38.487 0.068 0.000 0.984 523 N HN 0.211 nan 8.380 nan 0.000 0.434 524 N N -0.900 117.847 118.700 0.079 0.000 2.223 524 N HA -0.095 4.644 4.740 -0.002 0.000 0.185 524 N C 0.956 176.509 175.510 0.073 0.000 1.016 524 N CA 1.014 54.106 53.050 0.070 0.000 0.863 524 N CB -0.186 38.356 38.487 0.092 0.000 0.983 524 N HN 0.393 nan 8.380 nan 0.000 0.429 525 W N 1.434 122.698 121.300 -0.060 0.000 2.379 525 W HA -0.034 4.625 4.660 -0.002 0.000 0.307 525 W C 1.860 178.341 176.519 -0.063 0.000 1.200 525 W CA 1.219 58.541 57.345 -0.039 0.000 1.297 525 W CB -0.113 29.320 29.460 -0.044 0.000 1.140 525 W HN -0.025 nan 8.180 nan 0.000 0.507 526 M N 0.250 119.783 119.600 -0.113 0.000 2.175 526 M HA -0.180 4.299 4.480 -0.002 0.000 0.264 526 M C 1.983 178.142 176.300 -0.234 0.000 1.063 526 M CA 1.432 56.580 55.300 -0.253 0.000 1.119 526 M CB -0.712 31.848 32.600 -0.067 0.000 1.377 526 M HN -0.095 nan 8.290 nan 0.000 0.415 527 E N 0.571 120.690 120.200 -0.135 0.000 2.058 527 E HA -0.136 4.213 4.350 -0.002 0.000 0.194 527 E C 2.175 178.678 176.600 -0.162 0.000 0.997 527 E CA 1.736 58.065 56.400 -0.118 0.000 0.801 527 E CB -0.745 28.919 29.700 -0.060 0.000 0.746 527 E HN 0.600 nan 8.360 nan 0.000 0.450 528 G N 1.145 109.836 108.800 -0.181 0.000 2.404 528 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.215 528 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.215 528 G C 1.712 176.422 174.900 -0.316 0.000 1.174 528 G CA 1.157 46.138 45.100 -0.197 0.000 0.780 528 G HN 0.393 nan 8.290 nan 0.000 0.537 529 A N 0.058 122.582 122.820 -0.494 0.000 2.186 529 A HA 0.108 4.427 4.320 -0.002 0.000 0.219 529 A C 2.292 179.546 177.584 -0.551 0.000 1.159 529 A CA 1.508 53.125 52.037 -0.700 0.000 0.680 529 A CB -0.292 18.149 19.000 -0.932 0.000 0.787 529 A HN 0.430 nan 8.150 nan 0.000 0.467 530 M N -2.021 117.356 119.600 -0.372 0.000 2.516 530 M HA 0.074 4.553 4.480 -0.002 0.000 0.259 530 M C 1.550 177.717 176.300 -0.223 0.000 1.146 530 M CA 0.483 55.615 55.300 -0.281 0.000 1.122 530 M CB 0.185 32.645 32.600 -0.232 0.000 1.341 530 M HN 0.219 nan 8.290 nan 0.000 0.478 531 E N 0.778 120.857 120.200 -0.202 0.000 2.216 531 E HA -0.049 4.300 4.350 -0.002 0.000 0.192 531 E C 1.046 177.557 176.600 -0.148 0.000 0.973 531 E CA 1.026 57.337 56.400 -0.149 0.000 0.851 531 E CB -0.002 29.631 29.700 -0.112 0.000 0.804 531 E HN 0.456 nan 8.360 nan 0.000 0.477 532 D N 0.429 120.711 120.400 -0.197 0.000 2.087 532 D HA -0.153 4.486 4.640 -0.002 0.000 0.192 532 D C 1.806 177.979 176.300 -0.210 0.000 0.993 532 D CA 0.971 54.850 54.000 -0.201 0.000 0.828 532 D CB -0.018 40.615 40.800 -0.278 0.000 0.968 532 D HN 0.014 nan 8.370 nan 0.000 0.448 533 L N 0.580 121.619 121.223 -0.306 0.000 2.201 533 L HA -0.120 4.219 4.340 -0.002 0.000 0.212 533 L C 2.242 179.036 176.870 -0.126 0.000 1.105 533 L CA 1.134 55.831 54.840 -0.238 0.000 0.775 533 L CB -0.253 41.612 42.059 -0.324 0.000 0.913 533 L HN 0.027 nan 8.230 nan 0.000 0.440 534 Q N -0.384 119.341 119.800 -0.124 0.000 2.049 534 Q HA -0.122 4.217 4.340 -0.002 0.000 0.198 534 Q C 0.470 176.454 176.000 -0.025 0.000 0.971 534 Q CA 0.452 56.210 55.803 -0.075 0.000 0.833 534 Q CB -0.519 28.165 28.738 -0.090 0.000 0.896 534 Q HN 0.415 nan 8.270 nan 0.000 0.434 535 D N 2.223 122.609 120.400 -0.024 0.000 6.725 535 D HA -0.126 4.513 4.640 -0.002 0.000 0.164 535 D C -0.654 175.698 176.300 0.087 0.000 1.245 535 D CA 0.440 54.451 54.000 0.018 0.000 0.790 535 D CB 0.188 40.997 40.800 0.015 0.000 1.490 535 D HN 0.127 nan 8.370 nan 0.000 0.862 536 T N 2.619 117.189 114.554 0.026 0.000 2.769 536 T HA 0.387 4.736 4.350 -0.002 0.000 0.293 536 T C 0.183 174.864 174.700 -0.032 0.000 0.931 536 T CA -0.801 61.279 62.100 -0.034 0.000 1.139 536 T CB -0.051 68.761 68.868 -0.093 0.000 0.881 536 T HN 0.295 nan 8.240 nan 0.000 0.532 537 F N 2.355 122.282 119.950 -0.038 0.000 2.523 537 F HA 0.860 5.386 4.527 -0.002 0.000 0.329 537 F C -0.677 175.096 175.800 -0.044 0.000 1.061 537 F CA -2.163 55.816 58.000 -0.035 0.000 0.967 537 F CB 1.099 40.079 39.000 -0.034 0.000 1.218 537 F HN 0.613 nan 8.300 nan 0.000 0.480 538 I N 2.840 123.423 120.570 0.021 0.000 2.828 538 I HA 0.757 4.926 4.170 -0.002 0.000 0.302 538 I C -1.566 174.540 176.117 -0.017 0.000 1.101 538 I CA -1.266 59.978 61.300 -0.093 0.000 1.031 538 I CB 2.267 40.218 38.000 -0.083 0.000 1.231 538 I HN 0.770 nan 8.210 nan 0.000 0.427 539 V N 2.125 121.937 119.914 -0.170 0.000 2.733 539 V HA 0.438 4.557 4.120 -0.002 0.000 0.306 539 V C -0.476 175.365 176.094 -0.421 0.000 1.084 539 V CA -0.457 61.739 62.300 -0.174 0.000 0.905 539 V CB 1.266 33.090 31.823 0.001 0.000 1.010 539 V HN 0.899 nan 8.190 nan 0.000 0.424 540 H N 1.998 121.092 119.070 0.040 0.000 2.431 540 H HA 0.134 4.689 4.556 -0.002 0.000 0.295 540 H C 1.737 177.084 175.328 0.031 0.000 1.038 540 H CA 1.793 57.856 56.048 0.024 0.000 1.360 540 H CB 0.516 30.280 29.762 0.004 0.000 1.433 540 H HN 0.953 nan 8.280 nan 0.000 0.536 541 T N -2.520 112.073 114.554 0.065 0.000 2.121 541 T HA 0.283 4.632 4.350 -0.002 0.000 0.197 541 T C 1.386 176.107 174.700 0.036 0.000 0.822 541 T CA -0.361 61.770 62.100 0.052 0.000 1.195 541 T CB 0.166 69.066 68.868 0.053 0.000 3.009 541 T HN 0.012 nan 8.240 nan 0.000 0.449 542 I N 0.243 120.834 120.570 0.034 0.000 3.904 542 I HA 0.194 4.363 4.170 -0.002 0.000 0.235 542 I C 2.812 178.943 176.117 0.024 0.000 1.062 542 I CA -0.186 61.132 61.300 0.030 0.000 1.574 542 I CB -0.401 37.617 38.000 0.030 0.000 1.503 542 I HN 0.489 nan 8.210 nan 0.000 0.463 543 E N 1.843 122.055 120.200 0.021 0.000 2.181 543 E HA -0.318 4.031 4.350 -0.002 0.000 0.225 543 E C 1.874 178.481 176.600 0.011 0.000 1.073 543 E CA 2.397 58.806 56.400 0.014 0.000 0.916 543 E CB -0.634 29.075 29.700 0.016 0.000 0.793 543 E HN 0.547 nan 8.360 nan 0.000 0.472 544 E N 0.427 120.638 120.200 0.018 0.000 2.233 544 E HA -0.252 4.097 4.350 -0.002 0.000 0.210 544 E C 2.103 178.707 176.600 0.005 0.000 1.046 544 E CA 1.571 57.982 56.400 0.019 0.000 0.844 544 E CB -0.697 29.024 29.700 0.036 0.000 0.741 544 E HN 0.326 nan 8.360 nan 0.000 0.465 545 I N 1.172 121.742 120.570 0.001 0.000 3.059 545 I HA -0.131 4.038 4.170 -0.002 0.000 0.270 545 I C 2.122 178.205 176.117 -0.056 0.000 1.238 545 I CA 0.651 61.933 61.300 -0.030 0.000 1.478 545 I CB -0.041 37.959 38.000 0.000 0.000 1.097 545 I HN -0.097 nan 8.210 nan 0.000 0.455 546 Q N 0.227 120.007 119.800 -0.033 0.000 2.170 546 Q HA -0.065 4.274 4.340 -0.002 0.000 0.203 546 Q C 2.251 178.227 176.000 -0.041 0.000 0.976 546 Q CA 1.447 57.228 55.803 -0.037 0.000 0.858 546 Q CB -1.008 27.718 28.738 -0.020 0.000 0.907 546 Q HN 0.574 nan 8.270 nan 0.000 0.433 547 G N 0.921 109.699 108.800 -0.036 0.000 2.446 547 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.217 547 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.217 547 G C 1.433 176.297 174.900 -0.061 0.000 1.168 547 G CA 0.745 45.823 45.100 -0.037 0.000 0.771 547 G HN 0.262 nan 8.290 nan 0.000 0.551 548 L N 0.439 121.598 121.223 -0.107 0.000 2.109 548 L HA 0.056 4.395 4.340 -0.002 0.000 0.207 548 L C 3.126 179.900 176.870 -0.159 0.000 1.086 548 L CA 1.674 56.403 54.840 -0.184 0.000 0.760 548 L CB -0.854 40.982 42.059 -0.372 0.000 0.910 548 L HN 0.107 nan 8.230 nan 0.000 0.437 549 T N -1.134 113.340 114.554 -0.133 0.000 2.684 549 T HA -0.211 4.138 4.350 -0.002 0.000 0.267 549 T C 1.885 176.576 174.700 -0.014 0.000 1.036 549 T CA 2.034 64.087 62.100 -0.077 0.000 1.148 549 T CB -0.328 68.484 68.868 -0.093 0.000 0.863 549 T HN 0.363 nan 8.240 nan 0.000 0.436 550 T N 2.048 116.587 114.554 -0.025 0.000 2.652 550 T HA -0.103 4.246 4.350 -0.002 0.000 0.267 550 T C 2.329 177.033 174.700 0.007 0.000 1.039 550 T CA 1.378 63.474 62.100 -0.007 0.000 1.153 550 T CB -0.647 68.214 68.868 -0.013 0.000 0.863 550 T HN 0.439 nan 8.240 nan 0.000 0.428 551 A N 0.905 123.724 122.820 -0.001 0.000 2.070 551 A HA -0.183 4.136 4.320 -0.002 0.000 0.220 551 A C 2.112 179.698 177.584 0.003 0.000 1.159 551 A CA 1.462 53.503 52.037 0.007 0.000 0.656 551 A CB -0.803 18.194 19.000 -0.005 0.000 0.800 551 A HN 0.603 nan 8.150 nan 0.000 0.453 552 H N 0.162 119.237 119.070 0.008 0.000 2.326 552 H HA -0.089 4.466 4.556 -0.002 0.000 0.301 552 H C 1.868 177.242 175.328 0.076 0.000 1.081 552 H CA 1.736 57.807 56.048 0.039 0.000 1.334 552 H CB 0.107 29.849 29.762 -0.034 0.000 1.385 552 H HN 0.489 nan 8.280 nan 0.000 0.504 553 E N 0.778 121.023 120.200 0.075 0.000 2.097 553 E HA -0.198 4.150 4.350 -0.002 0.000 0.196 553 E C 2.199 178.806 176.600 0.011 0.000 1.000 553 E CA 0.855 57.287 56.400 0.054 0.000 0.804 553 E CB -0.253 29.470 29.700 0.040 0.000 0.740 553 E HN 0.571 nan 8.360 nan 0.000 0.454 554 Q N -0.207 119.592 119.800 -0.002 0.000 2.084 554 Q HA -0.100 4.239 4.340 -0.002 0.000 0.202 554 Q C 2.197 178.160 176.000 -0.061 0.000 0.978 554 Q CA 0.864 56.657 55.803 -0.018 0.000 0.844 554 Q CB -0.609 28.127 28.738 -0.003 0.000 0.898 554 Q HN 0.307 nan 8.270 nan 0.000 0.426 555 F N 1.900 121.768 119.950 -0.138 0.000 2.134 555 F HA -0.173 4.353 4.527 -0.002 0.000 0.299 555 F C 2.161 177.912 175.800 -0.083 0.000 1.097 555 F CA 1.390 59.301 58.000 -0.148 0.000 1.264 555 F CB 0.073 38.880 39.000 -0.323 0.000 1.001 555 F HN -0.014 nan 8.300 nan 0.000 0.479 556 K N -0.078 120.325 120.400 0.005 0.000 2.127 556 K HA -0.223 4.096 4.320 -0.002 0.000 0.208 556 K C 2.091 178.706 176.600 0.026 0.000 1.047 556 K CA 1.286 57.611 56.287 0.064 0.000 0.927 556 K CB -0.521 32.038 32.500 0.099 0.000 0.716 556 K HN 0.342 nan 8.250 nan 0.000 0.450 557 A N 1.022 123.828 122.820 -0.024 0.000 2.119 557 A HA -0.108 4.211 4.320 -0.002 0.000 0.217 557 A C 2.131 179.687 177.584 -0.047 0.000 1.153 557 A CA 1.738 53.761 52.037 -0.024 0.000 0.692 557 A CB -0.680 18.305 19.000 -0.025 0.000 0.799 557 A HN 0.491 nan 8.150 nan 0.000 0.458 558 T N -2.258 112.223 114.554 -0.123 0.000 3.035 558 T HA 0.075 4.424 4.350 -0.002 0.000 0.259 558 T C 1.793 176.513 174.700 0.033 0.000 1.078 558 T CA 0.773 62.816 62.100 -0.095 0.000 1.132 558 T CB -0.534 68.228 68.868 -0.176 0.000 0.900 558 T HN 0.300 nan 8.240 nan 0.000 0.480 559 L N 1.617 122.923 121.223 0.138 0.000 2.021 559 L HA -0.032 4.307 4.340 -0.002 0.000 0.215 559 L C -0.145 176.845 176.870 0.200 0.000 1.074 559 L CA 1.682 56.711 54.840 0.315 0.000 0.760 559 L CB -2.015 40.257 42.059 0.355 0.000 0.889 559 L HN 0.296 nan 8.230 nan 0.000 0.433 560 P HA -0.147 nan 4.420 nan 0.000 0.234 560 P C 0.473 177.757 177.300 -0.026 0.000 1.167 560 P CA 1.594 64.713 63.100 0.032 0.000 0.763 560 P CB -0.080 31.634 31.700 0.024 0.000 0.835 561 D N 0.188 120.560 120.400 -0.046 0.000 2.290 561 D HA -0.018 4.621 4.640 -0.002 0.000 0.224 561 D C 2.034 178.238 176.300 -0.160 0.000 0.967 561 D CA 0.633 54.573 54.000 -0.099 0.000 0.893 561 D CB -1.011 39.733 40.800 -0.095 0.000 1.037 561 D HN -0.019 nan 8.370 nan 0.000 0.477 562 A N 0.103 122.812 122.820 -0.185 0.000 1.969 562 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 562 A C 2.028 179.472 177.584 -0.234 0.000 1.169 562 A CA 1.633 53.530 52.037 -0.234 0.000 0.635 562 A CB -0.695 17.799 19.000 -0.845 0.000 0.810 562 A HN 0.267 nan 8.150 nan 0.000 0.445 563 D N -0.085 120.126 120.400 -0.316 0.000 2.149 563 D HA -0.147 4.492 4.640 -0.002 0.000 0.201 563 D C 1.950 177.974 176.300 -0.460 0.000 0.972 563 D CA 1.390 54.965 54.000 -0.708 0.000 0.835 563 D CB -0.117 40.433 40.800 -0.416 0.000 0.966 563 D HN 0.600 nan 8.370 nan 0.000 0.476 564 K N 0.599 120.825 120.400 -0.289 0.000 2.147 564 K HA -0.141 4.178 4.320 -0.002 0.000 0.205 564 K C 1.772 178.192 176.600 -0.300 0.000 1.049 564 K CA 0.964 57.105 56.287 -0.243 0.000 0.936 564 K CB 0.096 32.499 32.500 -0.160 0.000 0.722 564 K HN -0.098 nan 8.250 nan 0.000 0.446 565 E N 1.103 121.071 120.200 -0.387 0.000 2.085 565 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 565 E C 2.076 178.247 176.600 -0.715 0.000 0.994 565 E CA 1.021 57.098 56.400 -0.537 0.000 0.801 565 E CB -0.110 29.200 29.700 -0.651 0.000 0.743 565 E HN 0.364 nan 8.360 nan 0.000 0.453 566 R N 0.470 120.483 120.500 -0.812 0.000 2.081 566 R HA -0.116 4.223 4.340 -0.002 0.000 0.235 566 R C 1.664 177.767 176.300 -0.329 0.000 1.131 566 R CA 1.109 56.863 56.100 -0.575 0.000 0.960 566 R CB 0.114 30.126 30.300 -0.480 0.000 0.856 566 R HN 0.059 nan 8.270 nan 0.000 0.436 567 Q N -0.643 118.972 119.800 -0.308 0.000 2.491 567 Q HA 0.022 4.361 4.340 -0.002 0.000 0.214 567 Q C 0.766 176.668 176.000 -0.164 0.000 0.970 567 Q CA 0.742 56.424 55.803 -0.201 0.000 0.960 567 Q CB 0.799 29.430 28.738 -0.178 0.000 0.996 567 Q HN 0.408 nan 8.270 nan 0.000 0.524 568 A N -0.195 122.511 122.820 -0.190 0.000 2.016 568 A HA 0.154 4.473 4.320 -0.002 0.000 0.202 568 A C 1.916 179.442 177.584 -0.096 0.000 1.632 568 A CA -0.100 51.854 52.037 -0.138 0.000 0.891 568 A CB -0.276 18.631 19.000 -0.155 0.000 1.103 568 A HN 0.193 nan 8.150 nan 0.000 0.547 569 I N 0.155 120.643 120.570 -0.136 0.000 2.074 569 I HA -0.346 3.823 4.170 -0.002 0.000 0.238 569 I C 2.331 178.558 176.117 0.183 0.000 1.037 569 I CA 1.638 62.933 61.300 -0.009 0.000 1.301 569 I CB -0.421 37.484 38.000 -0.160 0.000 1.016 569 I HN 0.262 nan 8.210 nan 0.000 0.400 570 L N 0.851 122.148 121.223 0.123 0.000 2.081 570 L HA -0.187 4.152 4.340 -0.002 0.000 0.212 570 L C 2.547 179.467 176.870 0.083 0.000 1.080 570 L CA 2.271 57.189 54.840 0.131 0.000 0.754 570 L CB -1.500 40.596 42.059 0.062 0.000 0.893 570 L HN 0.332 nan 8.230 nan 0.000 0.433 571 G N -0.661 108.152 108.800 0.022 0.000 2.442 571 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.219 571 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.219 571 G C 1.640 176.534 174.900 -0.011 0.000 1.141 571 G CA 1.118 46.212 45.100 -0.009 0.000 0.763 571 G HN 0.433 nan 8.290 nan 0.000 0.554 572 I N -0.386 120.202 120.570 0.031 0.000 2.286 572 I HA -0.074 4.095 4.170 -0.002 0.000 0.245 572 I C 2.454 178.557 176.117 -0.022 0.000 1.104 572 I CA 1.229 62.544 61.300 0.025 0.000 1.397 572 I CB -0.388 37.657 38.000 0.074 0.000 1.072 572 I HN 0.194 nan 8.210 nan 0.000 0.417 573 H N 1.629 120.704 119.070 0.009 0.000 2.352 573 H HA -0.150 4.405 4.556 -0.002 0.000 0.299 573 H C 1.926 177.180 175.328 -0.122 0.000 1.097 573 H CA 2.214 58.179 56.048 -0.138 0.000 1.311 573 H CB -0.211 29.304 29.762 -0.413 0.000 1.377 573 H HN 0.324 nan 8.280 nan 0.000 0.504 574 N N -0.252 118.335 118.700 -0.188 0.000 2.069 574 N HA -0.169 4.570 4.740 -0.002 0.000 0.191 574 N C 1.822 177.213 175.510 -0.198 0.000 1.031 574 N CA 1.009 53.969 53.050 -0.151 0.000 0.852 574 N CB -0.011 38.443 38.487 -0.054 0.000 1.018 574 N HN 0.362 nan 8.380 nan 0.000 0.423 575 E N 1.052 121.148 120.200 -0.173 0.000 2.072 575 E HA -0.101 4.248 4.350 -0.002 0.000 0.191 575 E C 2.159 178.637 176.600 -0.204 0.000 0.985 575 E CA 0.524 56.834 56.400 -0.149 0.000 0.801 575 E CB -0.159 29.481 29.700 -0.100 0.000 0.750 575 E HN 0.106 nan 8.360 nan 0.000 0.452 576 V N 1.156 120.881 119.914 -0.315 0.000 2.250 576 V HA -0.352 3.767 4.120 -0.002 0.000 0.253 576 V C 2.479 178.363 176.094 -0.349 0.000 1.065 576 V CA 2.267 64.307 62.300 -0.433 0.000 1.039 576 V CB -0.866 30.482 31.823 -0.791 0.000 0.647 576 V HN 0.205 nan 8.190 nan 0.000 0.446 577 S N -0.693 114.782 115.700 -0.375 0.000 2.359 577 S HA -0.301 4.168 4.470 -0.002 0.000 0.224 577 S C 2.013 176.534 174.600 -0.132 0.000 1.035 577 S CA 2.175 60.247 58.200 -0.213 0.000 1.018 577 S CB -0.392 62.702 63.200 -0.177 0.000 0.876 577 S HN 0.710 nan 8.310 nan 0.000 0.448 578 K N 0.795 121.116 120.400 -0.131 0.000 2.097 578 K HA -0.024 4.295 4.320 -0.002 0.000 0.205 578 K C 2.022 178.567 176.600 -0.091 0.000 1.050 578 K CA 0.984 57.211 56.287 -0.099 0.000 0.938 578 K CB -0.204 32.241 32.500 -0.093 0.000 0.718 578 K HN 0.174 nan 8.250 nan 0.000 0.442 579 I N 1.935 122.461 120.570 -0.073 0.000 2.208 579 I HA -0.238 3.930 4.170 -0.002 0.000 0.245 579 I C 2.379 178.541 176.117 0.075 0.000 1.097 579 I CA 1.356 62.660 61.300 0.006 0.000 1.363 579 I CB -0.680 37.322 38.000 0.004 0.000 1.051 579 I HN 0.219 nan 8.210 nan 0.000 0.413 580 V N -1.085 118.844 119.914 0.025 0.000 2.295 580 V HA -0.248 3.871 4.120 -0.002 0.000 0.246 580 V C 2.431 178.550 176.094 0.042 0.000 1.049 580 V CA 1.512 63.848 62.300 0.061 0.000 1.024 580 V CB -1.205 30.628 31.823 0.016 0.000 0.648 580 V HN 0.364 nan 8.190 nan 0.000 0.447 581 Q N 1.192 120.974 119.800 -0.030 0.000 2.135 581 Q HA -0.196 4.143 4.340 -0.002 0.000 0.204 581 Q C 2.456 178.439 176.000 -0.028 0.000 0.981 581 Q CA 2.770 58.542 55.803 -0.053 0.000 0.856 581 Q CB -0.611 28.089 28.738 -0.065 0.000 0.902 581 Q HN 0.932 nan 8.270 nan 0.000 0.425 582 T N -2.253 112.201 114.554 -0.166 0.000 2.929 582 T HA -0.146 4.203 4.350 -0.002 0.000 0.271 582 T C 0.968 175.391 174.700 -0.462 0.000 1.085 582 T CA 1.247 63.113 62.100 -0.391 0.000 1.125 582 T CB -0.280 68.159 68.868 -0.715 0.000 0.874 582 T HN 0.281 nan 8.240 nan 0.000 0.494 583 Y N -0.701 119.670 120.300 0.119 0.000 2.527 583 Y HA 0.367 4.916 4.550 -0.002 0.000 0.247 583 Y C 0.718 176.727 175.900 0.182 0.000 1.138 583 Y CA -1.144 57.016 58.100 0.101 0.000 1.228 583 Y CB -0.009 38.483 38.460 0.054 0.000 1.252 583 Y HN 0.216 nan 8.280 nan 0.000 0.531 584 H N -1.979 117.148 119.070 0.094 0.000 3.141 584 H HA -0.156 4.399 4.556 -0.002 0.000 0.260 584 H C 0.138 175.501 175.328 0.058 0.000 1.132 584 H CA 0.172 56.253 56.048 0.056 0.000 1.171 584 H CB -1.936 27.847 29.762 0.036 0.000 1.274 584 H HN 0.047 nan 8.280 nan 0.000 0.329 585 V N 0.686 120.700 119.914 0.168 0.000 3.051 585 V HA 0.068 4.187 4.120 -0.002 0.000 0.306 585 V C 1.532 177.650 176.094 0.040 0.000 1.083 585 V CA -0.144 62.213 62.300 0.095 0.000 1.104 585 V CB 1.188 33.073 31.823 0.103 0.000 1.027 585 V HN 0.383 nan 8.190 nan 0.000 0.483 586 N N 0.851 119.556 118.700 0.008 0.000 2.477 586 N HA 0.398 5.137 4.740 -0.002 0.000 0.284 586 N C -0.001 175.518 175.510 0.015 0.000 1.353 586 N CA -0.346 52.701 53.050 -0.006 0.000 0.907 586 N CB -0.032 38.439 38.487 -0.027 0.000 1.096 586 N HN 0.616 nan 8.380 nan 0.000 0.479 587 M N -0.275 119.334 119.600 0.015 0.000 4.047 587 M HA -0.170 4.309 4.480 -0.002 0.000 0.157 587 M C -1.503 174.822 176.300 0.041 0.000 1.532 587 M CA -0.121 55.201 55.300 0.037 0.000 1.097 587 M CB -0.774 31.866 32.600 0.066 0.000 1.346 587 M HN 0.599 nan 8.290 nan 0.000 0.190 588 A N 4.280 127.125 122.820 0.041 0.000 2.286 588 A HA 0.749 5.068 4.320 -0.002 0.000 0.286 588 A C 0.960 178.597 177.584 0.087 0.000 1.097 588 A CA -0.179 51.882 52.037 0.040 0.000 0.821 588 A CB 0.529 19.538 19.000 0.016 0.000 1.076 588 A HN 1.916 nan 8.150 nan 0.000 0.490 589 G N 1.307 110.160 108.800 0.089 0.000 3.197 589 G HA2 0.445 4.404 3.960 -0.002 0.000 0.257 589 G HA3 0.445 4.404 3.960 -0.002 0.000 0.257 589 G C 0.131 175.140 174.900 0.181 0.000 0.835 589 G CA 0.562 45.760 45.100 0.163 0.000 2.001 589 G HN 1.026 nan 8.290 nan 0.000 0.625 590 T N -1.869 112.767 114.554 0.137 0.000 2.912 590 T HA 0.384 4.733 4.350 -0.002 0.000 0.299 590 T C -0.689 173.806 174.700 -0.343 0.000 1.052 590 T CA -1.053 61.025 62.100 -0.036 0.000 0.996 590 T CB 2.219 71.051 68.868 -0.059 0.000 1.070 590 T HN 0.192 nan 8.240 nan 0.000 0.465 591 N N 3.113 121.513 118.700 -0.500 0.000 2.457 591 N HA 0.253 4.992 4.740 -0.002 0.000 0.250 591 N C -1.651 173.566 175.510 -0.488 0.000 0.982 591 N CA -2.211 50.342 53.050 -0.829 0.000 0.941 591 N CB 1.384 39.616 38.487 -0.426 0.000 1.120 591 N HN 0.426 nan 8.380 nan 0.000 0.505 592 P HA 0.041 nan 4.420 nan 0.000 0.251 592 P C 0.094 177.102 177.300 -0.487 0.000 1.223 592 P CA 0.435 63.212 63.100 -0.538 0.000 0.796 592 P CB 0.177 31.506 31.700 -0.618 0.000 1.068 593 Y N -0.493 119.767 120.300 -0.067 0.000 2.436 593 Y HA 0.194 4.743 4.550 -0.002 0.000 0.288 593 Y C 1.778 177.691 175.900 0.022 0.000 1.112 593 Y CA 0.516 58.615 58.100 -0.002 0.000 1.220 593 Y CB -0.502 37.982 38.460 0.039 0.000 1.073 593 Y HN -0.087 nan 8.280 nan 0.000 0.552 594 T N -1.486 113.162 114.554 0.158 0.000 2.905 594 T HA 0.272 4.621 4.350 -0.002 0.000 0.283 594 T C 1.392 176.130 174.700 0.064 0.000 1.031 594 T CA 0.193 62.355 62.100 0.103 0.000 1.002 594 T CB 1.216 70.136 68.868 0.087 0.000 1.200 594 T HN 0.232 nan 8.240 nan 0.000 0.560 595 T N 0.287 114.876 114.554 0.058 0.000 2.894 595 T HA 0.176 4.525 4.350 -0.002 0.000 0.258 595 T C 1.573 176.312 174.700 0.065 0.000 1.043 595 T CA 0.713 62.838 62.100 0.041 0.000 1.141 595 T CB -0.651 68.238 68.868 0.034 0.000 0.873 595 T HN 0.673 nan 8.240 nan 0.000 0.449 596 I N -0.059 120.580 120.570 0.114 0.000 3.432 596 I HA 0.624 4.793 4.170 -0.002 0.000 0.291 596 I C 0.116 176.350 176.117 0.195 0.000 1.127 596 I CA -0.861 60.523 61.300 0.141 0.000 0.962 596 I CB 1.053 39.143 38.000 0.149 0.000 1.550 596 I HN 0.098 nan 8.210 nan 0.000 0.736 597 T N 0.139 114.780 114.554 0.144 0.000 2.883 597 T HA 0.511 4.860 4.350 -0.002 0.000 0.296 597 T C -2.336 172.382 174.700 0.031 0.000 1.117 597 T CA -1.601 60.502 62.100 0.006 0.000 1.006 597 T CB 1.839 70.667 68.868 -0.068 0.000 1.191 597 T HN 0.467 nan 8.240 nan 0.000 0.508 598 P HA 0.017 nan 4.420 nan 0.000 0.234 598 P C 1.223 178.546 177.300 0.039 0.000 1.167 598 P CA 0.519 63.624 63.100 0.008 0.000 0.763 598 P CB 0.273 31.887 31.700 -0.143 0.000 0.835 599 Q N 0.381 120.178 119.800 -0.005 0.000 2.020 599 Q HA -0.143 4.196 4.340 -0.002 0.000 0.198 599 Q C 1.977 177.997 176.000 0.033 0.000 0.974 599 Q CA 1.396 57.203 55.803 0.007 0.000 0.829 599 Q CB -1.029 27.700 28.738 -0.014 0.000 0.894 599 Q HN 0.443 nan 8.270 nan 0.000 0.433 600 E N 0.910 121.137 120.200 0.044 0.000 2.230 600 E HA -0.073 4.276 4.350 -0.002 0.000 0.192 600 E C 1.965 178.613 176.600 0.080 0.000 0.987 600 E CA 0.245 56.673 56.400 0.047 0.000 0.841 600 E CB -0.163 29.566 29.700 0.049 0.000 0.783 600 E HN 0.181 nan 8.360 nan 0.000 0.481 601 I N 2.125 122.772 120.570 0.129 0.000 2.151 601 I HA -0.282 3.887 4.170 -0.002 0.000 0.243 601 I C 2.085 178.338 176.117 0.227 0.000 1.080 601 I CA 1.693 63.110 61.300 0.196 0.000 1.339 601 I CB -1.018 37.145 38.000 0.272 0.000 1.039 601 I HN 0.197 nan 8.210 nan 0.000 0.409 602 N N 0.618 119.432 118.700 0.190 0.000 2.331 602 N HA -0.087 4.652 4.740 -0.002 0.000 0.180 602 N C 1.885 177.491 175.510 0.160 0.000 1.019 602 N CA 1.181 54.358 53.050 0.212 0.000 0.881 602 N CB -0.209 38.361 38.487 0.138 0.000 0.972 602 N HN 0.353 nan 8.380 nan 0.000 0.435 603 G N 0.571 109.390 108.800 0.033 0.000 2.421 603 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.216 603 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.216 603 G C 1.439 176.166 174.900 -0.289 0.000 1.171 603 G CA 0.658 45.661 45.100 -0.162 0.000 0.775 603 G HN 0.297 nan 8.290 nan 0.000 0.543 604 K N -0.712 119.653 120.400 -0.058 0.000 2.113 604 K HA -0.159 4.160 4.320 -0.002 0.000 0.208 604 K C 2.111 178.775 176.600 0.105 0.000 1.047 604 K CA 1.218 57.592 56.287 0.145 0.000 0.928 604 K CB -0.272 32.326 32.500 0.164 0.000 0.716 604 K HN 0.488 nan 8.250 nan 0.000 0.446 605 W N 2.451 123.819 121.300 0.114 0.000 2.333 605 W HA -0.211 4.448 4.660 -0.002 0.000 0.316 605 W C 1.364 177.971 176.519 0.147 0.000 1.215 605 W CA 1.595 59.043 57.345 0.171 0.000 1.278 605 W CB 0.029 29.604 29.460 0.190 0.000 1.154 605 W HN 0.079 nan 8.180 nan 0.000 0.486 606 E N -0.739 119.551 120.200 0.151 0.000 2.347 606 E HA -0.137 4.211 4.350 -0.002 0.000 0.196 606 E C 1.619 178.255 176.600 0.059 0.000 1.008 606 E CA 1.138 57.598 56.400 0.100 0.000 0.852 606 E CB -0.991 28.783 29.700 0.123 0.000 0.783 606 E HN 0.598 nan 8.360 nan 0.000 0.505 607 H N 0.386 119.441 119.070 -0.026 0.000 2.270 607 H HA -0.062 4.493 4.556 -0.002 0.000 0.299 607 H C 2.185 177.437 175.328 -0.127 0.000 1.077 607 H CA 1.320 57.330 56.048 -0.063 0.000 1.294 607 H CB 0.094 29.818 29.762 -0.064 0.000 1.371 607 H HN -0.068 nan 8.280 nan 0.000 0.491 608 V N 0.765 120.636 119.914 -0.072 0.000 2.453 608 V HA -0.275 3.844 4.120 -0.002 0.000 0.252 608 V C 2.265 178.241 176.094 -0.196 0.000 1.068 608 V CA 1.789 63.944 62.300 -0.242 0.000 1.070 608 V CB -0.425 31.141 31.823 -0.429 0.000 0.664 608 V HN 0.328 nan 8.190 nan 0.000 0.461 609 R N -1.126 119.277 120.500 -0.160 0.000 2.200 609 R HA -0.046 4.293 4.340 -0.002 0.000 0.208 609 R C 2.361 178.674 176.300 0.022 0.000 1.033 609 R CA 0.424 56.503 56.100 -0.035 0.000 1.000 609 R CB -0.051 30.274 30.300 0.043 0.000 0.906 609 R HN 0.403 nan 8.270 nan 0.000 0.462 610 Q N 0.570 120.381 119.800 0.018 0.000 2.096 610 Q HA -0.054 4.285 4.340 -0.002 0.000 0.197 610 Q C 1.955 177.952 176.000 -0.006 0.000 0.964 610 Q CA 1.205 57.022 55.803 0.022 0.000 0.838 610 Q CB 0.127 28.888 28.738 0.039 0.000 0.906 610 Q HN 0.358 nan 8.270 nan 0.000 0.444 611 L N -0.404 120.793 121.223 -0.043 0.000 1.988 611 L HA -0.174 4.165 4.340 -0.002 0.000 0.207 611 L C 2.513 179.368 176.870 -0.025 0.000 1.071 611 L CA 1.034 55.833 54.840 -0.069 0.000 0.744 611 L CB -1.007 40.965 42.059 -0.145 0.000 0.893 611 L HN 0.012 nan 8.230 nan 0.000 0.433 612 V N 0.745 120.664 119.914 0.007 0.000 2.218 612 V HA -0.232 3.887 4.120 -0.002 0.000 0.251 612 V C -0.570 175.601 176.094 0.128 0.000 1.057 612 V CA 2.569 64.955 62.300 0.143 0.000 1.022 612 V CB -1.974 29.962 31.823 0.188 0.000 0.645 612 V HN 0.403 nan 8.190 nan 0.000 0.451 613 P HA -0.097 nan 4.420 nan 0.000 0.251 613 P C 1.097 178.402 177.300 0.009 0.000 1.251 613 P CA 1.198 64.328 63.100 0.050 0.000 0.763 613 P CB -0.090 31.647 31.700 0.061 0.000 1.067 614 R N -0.336 120.160 120.500 -0.008 0.000 2.221 614 R HA 0.167 4.506 4.340 -0.002 0.000 0.195 614 R C 2.145 178.408 176.300 -0.061 0.000 0.956 614 R CA -0.144 55.941 56.100 -0.026 0.000 1.064 614 R CB 0.179 30.467 30.300 -0.021 0.000 1.049 614 R HN -0.148 nan 8.270 nan 0.000 0.534 615 R N 1.061 121.504 120.500 -0.095 0.000 2.156 615 R HA -0.009 4.329 4.340 -0.002 0.000 0.207 615 R C 1.045 177.074 176.300 -0.452 0.000 1.040 615 R CA 1.356 57.360 56.100 -0.161 0.000 1.013 615 R CB 0.068 30.332 30.300 -0.061 0.000 0.931 615 R HN 0.357 nan 8.270 nan 0.000 0.465 616 D N 0.242 120.197 120.400 -0.743 0.000 2.123 616 D HA -0.230 4.409 4.640 -0.002 0.000 0.196 616 D C 1.735 177.868 176.300 -0.278 0.000 0.992 616 D CA 0.753 54.311 54.000 -0.736 0.000 0.833 616 D CB -0.532 40.035 40.800 -0.389 0.000 0.954 616 D HN 0.037 nan 8.370 nan 0.000 0.455 617 Q N 0.458 120.168 119.800 -0.150 0.000 2.217 617 Q HA -0.204 4.135 4.340 -0.002 0.000 0.209 617 Q C 1.934 177.913 176.000 -0.034 0.000 0.988 617 Q CA 1.946 57.713 55.803 -0.060 0.000 0.878 617 Q CB -0.243 28.476 28.738 -0.032 0.000 0.909 617 Q HN 0.452 nan 8.270 nan 0.000 0.424 618 A N -0.371 122.422 122.820 -0.046 0.000 2.081 618 A HA 0.009 4.328 4.320 -0.002 0.000 0.214 618 A C 1.871 179.525 177.584 0.117 0.000 1.158 618 A CA 0.197 52.265 52.037 0.051 0.000 0.724 618 A CB 0.029 19.077 19.000 0.081 0.000 0.826 618 A HN 0.306 nan 8.150 nan 0.000 0.463 619 L N -1.576 119.610 121.223 -0.062 0.000 2.131 619 L HA 0.064 4.403 4.340 -0.002 0.000 0.206 619 L C 2.318 179.170 176.870 -0.030 0.000 1.087 619 L CA 1.505 56.278 54.840 -0.112 0.000 0.767 619 L CB -1.239 40.694 42.059 -0.210 0.000 0.917 619 L HN 0.428 nan 8.230 nan 0.000 0.441 620 M N -0.219 119.362 119.600 -0.031 0.000 2.632 620 M HA -0.103 4.376 4.480 -0.002 0.000 0.256 620 M C 1.794 178.144 176.300 0.083 0.000 1.080 620 M CA 0.906 56.230 55.300 0.040 0.000 1.084 620 M CB -0.291 32.329 32.600 0.033 0.000 1.439 620 M HN 0.071 nan 8.290 nan 0.000 0.509 621 E N 0.012 120.260 120.200 0.080 0.000 2.274 621 E HA -0.110 4.239 4.350 -0.002 0.000 0.194 621 E C 1.276 177.940 176.600 0.106 0.000 0.996 621 E CA 0.692 57.144 56.400 0.087 0.000 0.840 621 E CB -0.045 29.704 29.700 0.081 0.000 0.772 621 E HN 0.503 nan 8.360 nan 0.000 0.491 622 E N -0.431 119.847 120.200 0.131 0.000 2.465 622 E HA -0.048 4.301 4.350 -0.002 0.000 0.191 622 E C 1.043 177.734 176.600 0.151 0.000 1.053 622 E CA 0.205 56.679 56.400 0.123 0.000 0.869 622 E CB 0.187 29.963 29.700 0.127 0.000 0.977 622 E HN 0.288 nan 8.360 nan 0.000 0.483 623 H N -0.538 118.548 119.070 0.026 0.000 2.545 623 H HA 0.305 4.860 4.556 -0.002 0.000 0.283 623 H C 1.604 176.944 175.328 0.020 0.000 0.997 623 H CA 1.044 57.104 56.048 0.020 0.000 1.269 623 H CB 0.397 30.166 29.762 0.013 0.000 1.451 623 H HN 0.070 nan 8.280 nan 0.000 0.508 624 A N 0.365 123.252 122.820 0.113 0.000 2.209 624 A HA 0.034 4.353 4.320 -0.002 0.000 0.212 624 A C 2.141 179.744 177.584 0.031 0.000 1.158 624 A CA 0.596 52.653 52.037 0.033 0.000 0.742 624 A CB -0.249 18.774 19.000 0.038 0.000 0.790 624 A HN 0.330 nan 8.150 nan 0.000 0.472 625 R N -1.227 119.307 120.500 0.056 0.000 2.009 625 R HA 0.004 4.343 4.340 -0.002 0.000 0.213 625 R C 2.201 178.531 176.300 0.049 0.000 1.297 625 R CA 0.643 56.771 56.100 0.047 0.000 1.008 625 R CB -0.415 29.918 30.300 0.054 0.000 0.852 625 R HN 0.350 nan 8.270 nan 0.000 0.475 626 Q N 0.800 120.650 119.800 0.084 0.000 2.082 626 Q HA -0.273 4.066 4.340 -0.002 0.000 0.211 626 Q C 1.940 177.970 176.000 0.049 0.000 1.002 626 Q CA 1.770 57.625 55.803 0.087 0.000 0.868 626 Q CB -0.447 28.368 28.738 0.129 0.000 0.931 626 Q HN 0.235 nan 8.270 nan 0.000 0.414 627 Q N 0.027 119.806 119.800 -0.034 0.000 2.436 627 Q HA -0.099 4.240 4.340 -0.002 0.000 0.209 627 Q C 1.368 177.339 176.000 -0.049 0.000 0.965 627 Q CA 0.964 56.712 55.803 -0.091 0.000 0.910 627 Q CB 0.195 28.761 28.738 -0.286 0.000 0.980 627 Q HN 0.341 nan 8.270 nan 0.000 0.491 628 Q N -1.365 118.417 119.800 -0.030 0.000 2.391 628 Q HA 0.118 4.457 4.340 -0.002 0.000 0.211 628 Q C 1.202 177.218 176.000 0.025 0.000 0.908 628 Q CA 0.533 56.333 55.803 -0.005 0.000 0.920 628 Q CB -0.202 28.529 28.738 -0.012 0.000 1.056 628 Q HN 0.326 nan 8.270 nan 0.000 0.523 629 N N 1.883 120.605 118.700 0.037 0.000 2.223 629 N HA -0.113 4.626 4.740 -0.002 0.000 0.185 629 N C 0.713 176.273 175.510 0.084 0.000 1.016 629 N CA 0.815 53.896 53.050 0.053 0.000 0.863 629 N CB 0.033 38.548 38.487 0.047 0.000 0.983 629 N HN 0.208 nan 8.380 nan 0.000 0.429 630 E N 0.220 120.481 120.200 0.102 0.000 2.322 630 E HA -0.009 4.340 4.350 -0.002 0.000 0.195 630 E C 0.851 177.523 176.600 0.120 0.000 1.198 630 E CA 0.168 56.687 56.400 0.198 0.000 1.132 630 E CB 0.271 30.072 29.700 0.169 0.000 1.213 630 E HN 0.373 nan 8.360 nan 0.000 0.450 631 R N -0.710 119.841 120.500 0.085 0.000 2.871 631 R HA 0.177 4.516 4.340 -0.002 0.000 0.176 631 R C 1.967 178.303 176.300 0.060 0.000 0.830 631 R CA -0.082 56.045 56.100 0.045 0.000 1.160 631 R CB 0.194 30.503 30.300 0.016 0.000 1.614 631 R HN 0.077 nan 8.270 nan 0.000 0.596 632 L N 0.753 122.017 121.223 0.069 0.000 2.005 632 L HA -0.043 4.295 4.340 -0.002 0.000 0.207 632 L C 2.344 179.292 176.870 0.130 0.000 1.072 632 L CA 1.422 56.309 54.840 0.079 0.000 0.744 632 L CB -0.492 41.599 42.059 0.053 0.000 0.895 632 L HN 0.157 nan 8.230 nan 0.000 0.433 633 R N 0.265 120.856 120.500 0.151 0.000 2.117 633 R HA -0.232 4.107 4.340 -0.002 0.000 0.243 633 R C 2.335 178.797 176.300 0.270 0.000 1.143 633 R CA 1.640 57.873 56.100 0.222 0.000 0.968 633 R CB -0.281 30.141 30.300 0.203 0.000 0.863 633 R HN 0.321 nan 8.270 nan 0.000 0.444 634 K N 0.266 120.781 120.400 0.193 0.000 2.031 634 K HA -0.129 4.190 4.320 -0.002 0.000 0.205 634 K C 2.202 178.791 176.600 -0.019 0.000 1.049 634 K CA 1.064 57.364 56.287 0.021 0.000 0.939 634 K CB 0.221 32.689 32.500 -0.054 0.000 0.717 634 K HN 0.048 nan 8.250 nan 0.000 0.438 635 Q N -0.022 119.789 119.800 0.019 0.000 2.016 635 Q HA -0.177 4.162 4.340 -0.002 0.000 0.200 635 Q C 2.035 178.031 176.000 -0.005 0.000 0.978 635 Q CA 1.350 57.156 55.803 0.005 0.000 0.833 635 Q CB -0.581 28.175 28.738 0.031 0.000 0.895 635 Q HN 0.310 nan 8.270 nan 0.000 0.427 636 F N 1.391 121.336 119.950 -0.008 0.000 2.102 636 F HA -0.087 4.438 4.527 -0.002 0.000 0.298 636 F C 2.133 177.929 175.800 -0.006 0.000 1.105 636 F CA 1.756 59.747 58.000 -0.015 0.000 1.239 636 F CB -0.834 38.158 39.000 -0.014 0.000 0.991 636 F HN 0.089 nan 8.300 nan 0.000 0.474 637 G N -0.354 108.182 108.800 -0.440 0.000 2.433 637 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.216 637 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.216 637 G C 1.787 176.510 174.900 -0.294 0.000 1.186 637 G CA 0.936 45.817 45.100 -0.366 0.000 0.779 637 G HN 0.624 nan 8.290 nan 0.000 0.543 638 A N -0.490 122.210 122.820 -0.200 0.000 2.066 638 A HA 0.065 4.384 4.320 -0.002 0.000 0.218 638 A C 2.328 179.808 177.584 -0.175 0.000 1.157 638 A CA 1.481 53.419 52.037 -0.164 0.000 0.670 638 A CB -0.183 18.735 19.000 -0.136 0.000 0.804 638 A HN 0.380 nan 8.150 nan 0.000 0.453 639 Q N -0.699 118.973 119.800 -0.213 0.000 2.062 639 Q HA -0.035 4.304 4.340 -0.002 0.000 0.196 639 Q C 2.508 178.369 176.000 -0.232 0.000 0.967 639 Q CA 1.296 56.989 55.803 -0.182 0.000 0.832 639 Q CB -0.414 28.242 28.738 -0.138 0.000 0.899 639 Q HN 0.632 nan 8.270 nan 0.000 0.442 640 A N 1.897 124.471 122.820 -0.410 0.000 1.940 640 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 640 A C 1.716 179.051 177.584 -0.415 0.000 1.176 640 A CA 1.580 53.368 52.037 -0.415 0.000 0.631 640 A CB -0.521 18.063 19.000 -0.693 0.000 0.814 640 A HN 0.315 nan 8.150 nan 0.000 0.446 641 N N -0.027 118.456 118.700 -0.362 0.000 2.443 641 N HA -0.108 4.630 4.740 -0.002 0.000 0.184 641 N C 1.392 176.766 175.510 -0.226 0.000 1.037 641 N CA 1.686 54.541 53.050 -0.324 0.000 0.896 641 N CB -0.214 38.195 38.487 -0.130 0.000 0.959 641 N HN 0.558 nan 8.380 nan 0.000 0.442 642 V N -2.882 116.943 119.914 -0.148 0.000 3.578 642 V HA 0.272 4.391 4.120 -0.002 0.000 0.290 642 V C 1.707 177.802 176.094 0.001 0.000 1.376 642 V CA 0.096 62.368 62.300 -0.046 0.000 1.083 642 V CB -0.172 31.647 31.823 -0.006 0.000 0.911 642 V HN 0.026 nan 8.190 nan 0.000 0.433 643 I N 1.903 122.437 120.570 -0.061 0.000 2.270 643 I HA 0.103 4.272 4.170 -0.002 0.000 0.239 643 I C 2.809 178.948 176.117 0.037 0.000 1.080 643 I CA 1.509 62.817 61.300 0.013 0.000 1.383 643 I CB -1.002 36.995 38.000 -0.006 0.000 1.097 643 I HN 0.394 nan 8.210 nan 0.000 0.420 644 G N 3.106 111.798 108.800 -0.181 0.000 2.649 644 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.220 644 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.220 644 G C -0.534 174.356 174.900 -0.017 0.000 1.189 644 G CA 1.231 46.196 45.100 -0.225 0.000 0.777 644 G HN 0.321 nan 8.290 nan 0.000 0.602 645 P HA -0.042 nan 4.420 nan 0.000 0.233 645 P C 0.845 178.185 177.300 0.067 0.000 1.167 645 P CA 0.700 63.834 63.100 0.057 0.000 0.770 645 P CB -0.069 31.667 31.700 0.060 0.000 0.837 646 W N 0.326 121.574 121.300 -0.086 0.000 3.077 646 W HA 0.224 4.884 4.660 -0.001 0.000 0.266 646 W C 1.931 178.373 176.519 -0.128 0.000 1.300 646 W CA 0.213 57.481 57.345 -0.129 0.000 1.586 646 W CB -0.253 29.070 29.460 -0.229 0.000 1.103 646 W HN -0.240 nan 8.180 nan 0.000 0.652 647 I N -0.273 120.346 120.570 0.081 0.000 2.235 647 I HA -0.276 3.893 4.170 -0.002 0.000 0.241 647 I C 2.761 178.809 176.117 -0.115 0.000 1.085 647 I CA 1.031 62.316 61.300 -0.025 0.000 1.378 647 I CB -0.777 37.290 38.000 0.113 0.000 1.076 647 I HN -0.063 nan 8.210 nan 0.000 0.415 648 Q N 1.403 121.174 119.800 -0.048 0.000 2.030 648 Q HA -0.242 4.096 4.340 -0.002 0.000 0.204 648 Q C 2.248 178.160 176.000 -0.146 0.000 0.986 648 Q CA 3.231 58.997 55.803 -0.061 0.000 0.843 648 Q CB -0.434 28.309 28.738 0.009 0.000 0.904 648 Q HN 0.621 nan 8.270 nan 0.000 0.420 649 T N -0.385 114.049 114.554 -0.200 0.000 2.708 649 T HA -0.098 4.251 4.350 -0.002 0.000 0.266 649 T C 1.786 176.254 174.700 -0.388 0.000 1.037 649 T CA 1.212 63.147 62.100 -0.276 0.000 1.146 649 T CB -0.152 68.543 68.868 -0.289 0.000 0.865 649 T HN 0.127 nan 8.240 nan 0.000 0.435 650 K N 0.558 120.636 120.400 -0.535 0.000 2.288 650 K HA 0.190 4.509 4.320 -0.002 0.000 0.201 650 K C 2.134 178.518 176.600 -0.360 0.000 1.048 650 K CA 0.507 56.466 56.287 -0.546 0.000 0.956 650 K CB -0.313 31.758 32.500 -0.715 0.000 0.746 650 K HN 0.386 nan 8.250 nan 0.000 0.461 651 M N 0.567 120.000 119.600 -0.278 0.000 2.476 651 M HA -0.064 4.415 4.480 -0.002 0.000 0.262 651 M C 1.737 177.940 176.300 -0.161 0.000 1.079 651 M CA 1.073 56.259 55.300 -0.190 0.000 1.104 651 M CB -0.315 32.199 32.600 -0.144 0.000 1.409 651 M HN 0.139 nan 8.290 nan 0.000 0.467 652 E N 0.336 120.427 120.200 -0.182 0.000 2.201 652 E HA -0.061 4.288 4.350 -0.002 0.000 0.193 652 E C 1.557 178.053 176.600 -0.172 0.000 0.957 652 E CA 0.433 56.742 56.400 -0.151 0.000 0.858 652 E CB 0.396 30.016 29.700 -0.134 0.000 0.816 652 E HN 0.393 nan 8.360 nan 0.000 0.475 653 E N 0.677 120.728 120.200 -0.248 0.000 2.110 653 E HA -0.107 4.242 4.350 -0.002 0.000 0.193 653 E C 1.630 178.096 176.600 -0.222 0.000 0.988 653 E CA 0.782 57.008 56.400 -0.290 0.000 0.804 653 E CB 0.007 29.402 29.700 -0.508 0.000 0.745 653 E HN 0.378 nan 8.360 nan 0.000 0.458 654 I N 0.578 121.030 120.570 -0.196 0.000 3.780 654 I HA 0.074 4.243 4.170 -0.002 0.000 0.312 654 I C 1.458 177.523 176.117 -0.087 0.000 1.377 654 I CA 0.056 61.291 61.300 -0.109 0.000 1.224 654 I CB -0.129 37.820 38.000 -0.086 0.000 1.110 654 I HN -0.046 nan 8.210 nan 0.000 0.418 655 G N 0.485 109.228 108.800 -0.094 0.000 3.062 655 G HA2 0.193 4.152 3.960 -0.002 0.000 0.228 655 G HA3 0.193 4.152 3.960 -0.002 0.000 0.228 655 G C 1.179 176.044 174.900 -0.059 0.000 1.094 655 G CA -0.209 44.849 45.100 -0.069 0.000 0.782 655 G HN 0.199 nan 8.290 nan 0.000 0.541 656 R N -0.534 119.925 120.500 -0.069 0.000 1.961 656 R HA 0.563 4.902 4.340 -0.002 0.000 0.114 656 R C 1.544 177.833 176.300 -0.019 0.000 1.571 656 R CA -0.166 55.904 56.100 -0.051 0.000 1.654 656 R CB -0.119 30.136 30.300 -0.075 0.000 1.262 656 R HN 0.060 nan 8.270 nan 0.000 0.547 657 I N -0.546 120.023 120.570 -0.002 0.000 3.946 657 I HA -0.407 3.762 4.170 -0.002 0.000 0.135 657 I C 0.535 176.701 176.117 0.082 0.000 0.453 657 I CA 1.471 62.811 61.300 0.066 0.000 1.205 657 I CB -1.184 36.889 38.000 0.122 0.000 1.059 657 I HN 0.325 nan 8.210 nan 0.000 0.212 658 S N 1.997 117.725 115.700 0.047 0.000 3.227 658 S HA 0.251 4.720 4.470 -0.002 0.000 0.249 658 S C 1.141 175.764 174.600 0.037 0.000 1.322 658 S CA 0.551 58.776 58.200 0.043 0.000 1.253 658 S CB -0.474 62.740 63.200 0.024 0.000 1.076 658 S HN 0.587 nan 8.310 nan 0.000 0.471 659 I N -3.019 117.580 120.570 0.049 0.000 4.670 659 I HA 0.344 4.513 4.170 -0.002 0.000 0.339 659 I C -0.122 176.028 176.117 0.056 0.000 1.310 659 I CA -0.171 61.153 61.300 0.039 0.000 1.288 659 I CB -0.428 37.585 38.000 0.021 0.000 1.427 659 I HN -0.013 nan 8.210 nan 0.000 0.494 660 E N 1.921 122.176 120.200 0.091 0.000 2.442 660 E HA 0.106 4.455 4.350 -0.002 0.000 0.260 660 E C 0.760 177.412 176.600 0.087 0.000 1.148 660 E CA 0.232 56.703 56.400 0.118 0.000 0.976 660 E CB 0.946 30.753 29.700 0.179 0.000 0.967 660 E HN 0.361 nan 8.360 nan 0.000 0.454 661 M N 0.711 120.367 119.600 0.094 0.000 2.431 661 M HA 0.010 4.489 4.480 -0.002 0.000 0.237 661 M C 1.253 177.577 176.300 0.040 0.000 1.130 661 M CA 0.081 55.413 55.300 0.054 0.000 1.002 661 M CB -0.154 32.479 32.600 0.055 0.000 1.524 661 M HN 0.502 nan 8.290 nan 0.000 0.482 662 H N 0.939 120.028 119.070 0.032 0.000 2.390 662 H HA 0.125 4.680 4.556 -0.002 0.000 0.314 662 H C 1.233 176.574 175.328 0.023 0.000 1.053 662 H CA 2.159 58.220 56.048 0.022 0.000 1.353 662 H CB 0.040 29.812 29.762 0.016 0.000 1.464 662 H HN 0.201 nan 8.280 nan 0.000 0.571 663 G N -1.525 107.279 108.800 0.006 0.000 4.988 663 G HA2 0.294 4.253 3.960 -0.002 0.000 0.227 663 G HA3 0.294 4.253 3.960 -0.002 0.000 0.227 663 G C 0.117 175.078 174.900 0.102 0.000 0.955 663 G CA 0.352 45.456 45.100 0.006 0.000 0.784 663 G HN 0.895 nan 8.290 nan 0.000 0.537 664 T N -2.583 112.023 114.554 0.087 0.000 10.012 664 T HA -0.356 3.993 4.350 -0.002 0.000 0.364 664 T C 1.585 176.334 174.700 0.081 0.000 1.801 664 T CA 1.795 63.941 62.100 0.076 0.000 2.812 664 T CB -1.515 67.384 68.868 0.052 0.000 2.543 664 T HN 0.436 nan 8.240 nan 0.000 1.030 665 L N 0.511 121.789 121.223 0.091 0.000 2.433 665 L HA 0.277 4.616 4.340 -0.002 0.000 0.200 665 L C 2.836 179.736 176.870 0.050 0.000 1.059 665 L CA 0.552 55.431 54.840 0.065 0.000 0.835 665 L CB -0.299 41.795 42.059 0.060 0.000 1.076 665 L HN 0.144 nan 8.230 nan 0.000 0.481 666 E N 1.296 121.532 120.200 0.059 0.000 2.058 666 E HA -0.242 4.107 4.350 -0.002 0.000 0.194 666 E C 1.366 177.951 176.600 -0.024 0.000 0.997 666 E CA 1.996 58.399 56.400 0.005 0.000 0.801 666 E CB -0.626 29.043 29.700 -0.052 0.000 0.746 666 E HN 0.630 nan 8.360 nan 0.000 0.450 667 D N 0.597 120.992 120.400 -0.007 0.000 2.289 667 D HA -0.106 4.532 4.640 -0.002 0.000 0.207 667 D C 1.881 178.085 176.300 -0.159 0.000 0.966 667 D CA 0.373 54.315 54.000 -0.096 0.000 0.868 667 D CB -0.195 40.591 40.800 -0.023 0.000 0.943 667 D HN -0.048 nan 8.370 nan 0.000 0.514 668 Q N 0.975 120.775 119.800 0.002 0.000 2.045 668 Q HA -0.167 4.171 4.340 -0.002 0.000 0.206 668 Q C 2.033 178.059 176.000 0.044 0.000 0.991 668 Q CA 1.013 56.867 55.803 0.084 0.000 0.851 668 Q CB -0.468 28.317 28.738 0.077 0.000 0.911 668 Q HN 0.357 nan 8.270 nan 0.000 0.418 669 L N 1.513 122.734 121.223 -0.003 0.000 2.141 669 L HA -0.191 4.148 4.340 -0.002 0.000 0.209 669 L C 2.092 178.930 176.870 -0.054 0.000 1.094 669 L CA 2.323 57.156 54.840 -0.011 0.000 0.763 669 L CB -1.056 40.997 42.059 -0.010 0.000 0.908 669 L HN 0.372 nan 8.230 nan 0.000 0.437 670 N N -0.452 118.171 118.700 -0.129 0.000 2.043 670 N HA -0.284 4.455 4.740 -0.002 0.000 0.193 670 N C 1.880 177.254 175.510 -0.227 0.000 1.037 670 N CA 1.982 54.911 53.050 -0.201 0.000 0.851 670 N CB -0.301 38.025 38.487 -0.268 0.000 1.027 670 N HN 0.430 nan 8.380 nan 0.000 0.422 671 H N 0.062 119.090 119.070 -0.071 0.000 2.421 671 H HA -0.005 4.550 4.556 -0.002 0.000 0.298 671 H C 2.074 177.295 175.328 -0.179 0.000 1.087 671 H CA 1.152 57.106 56.048 -0.156 0.000 1.330 671 H CB -0.264 29.513 29.762 0.025 0.000 1.388 671 H HN 0.322 nan 8.280 nan 0.000 0.526 672 L N 0.503 121.765 121.223 0.066 0.000 2.141 672 L HA -0.143 4.196 4.340 -0.002 0.000 0.209 672 L C 2.390 179.255 176.870 -0.009 0.000 1.094 672 L CA 0.889 55.764 54.840 0.059 0.000 0.763 672 L CB -0.151 41.942 42.059 0.057 0.000 0.908 672 L HN 0.130 nan 8.230 nan 0.000 0.437 673 R N -0.521 119.950 120.500 -0.048 0.000 2.193 673 R HA -0.046 4.293 4.340 -0.002 0.000 0.213 673 R C 2.034 178.285 176.300 -0.083 0.000 1.055 673 R CA 0.450 56.523 56.100 -0.045 0.000 0.995 673 R CB -0.673 29.604 30.300 -0.038 0.000 0.893 673 R HN 0.320 nan 8.270 nan 0.000 0.459 674 Q N 0.525 120.215 119.800 -0.184 0.000 1.967 674 Q HA -0.133 4.206 4.340 -0.002 0.000 0.202 674 Q C 1.680 177.472 176.000 -0.347 0.000 0.985 674 Q CA 1.794 57.410 55.803 -0.311 0.000 0.839 674 Q CB -0.315 28.117 28.738 -0.509 0.000 0.906 674 Q HN 0.310 nan 8.270 nan 0.000 0.423 675 Y N 1.182 121.522 120.300 0.067 0.000 2.352 675 Y HA -0.081 4.468 4.550 -0.002 0.000 0.292 675 Y C 2.319 178.247 175.900 0.045 0.000 1.136 675 Y CA 1.093 59.216 58.100 0.038 0.000 1.227 675 Y CB -0.432 38.011 38.460 -0.029 0.000 0.991 675 Y HN 0.321 nan 8.280 nan 0.000 0.545 676 E N 0.917 121.173 120.200 0.094 0.000 2.058 676 E HA -0.278 4.070 4.350 -0.002 0.000 0.194 676 E C 2.231 178.897 176.600 0.110 0.000 0.997 676 E CA 1.429 57.880 56.400 0.084 0.000 0.801 676 E CB -0.052 29.676 29.700 0.047 0.000 0.746 676 E HN 0.463 nan 8.360 nan 0.000 0.450 677 K N 0.177 120.627 120.400 0.084 0.000 2.026 677 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 677 K C 2.345 179.055 176.600 0.183 0.000 1.048 677 K CA 1.615 57.964 56.287 0.103 0.000 0.929 677 K CB -0.138 32.394 32.500 0.054 0.000 0.713 677 K HN -0.041 nan 8.250 nan 0.000 0.439 678 S N 1.052 116.895 115.700 0.237 0.000 2.378 678 S HA -0.191 4.278 4.470 -0.002 0.000 0.229 678 S C 1.877 176.820 174.600 0.572 0.000 1.052 678 S CA 1.600 60.058 58.200 0.430 0.000 1.084 678 S CB -0.290 63.249 63.200 0.565 0.000 0.950 678 S HN 0.273 nan 8.310 nan 0.000 0.440 679 I N 1.098 121.944 120.570 0.461 0.000 2.142 679 I HA -0.102 4.067 4.170 -0.002 0.000 0.240 679 I C 2.251 178.663 176.117 0.492 0.000 1.078 679 I CA 1.244 62.836 61.300 0.485 0.000 1.343 679 I CB -1.549 36.572 38.000 0.201 0.000 1.046 679 I HN 0.172 nan 8.210 nan 0.000 0.405 680 V N 0.912 121.019 119.914 0.322 0.000 2.970 680 V HA -0.152 3.967 4.120 -0.002 0.000 0.260 680 V C 1.464 177.686 176.094 0.214 0.000 1.100 680 V CA 1.154 63.609 62.300 0.258 0.000 1.122 680 V CB -1.126 30.801 31.823 0.174 0.000 0.721 680 V HN 0.399 nan 8.190 nan 0.000 0.483 681 N N -1.135 117.700 118.700 0.226 0.000 2.484 681 N HA 0.051 4.790 4.740 -0.002 0.000 0.245 681 N C 0.357 175.941 175.510 0.122 0.000 1.184 681 N CA 0.223 53.361 53.050 0.147 0.000 0.884 681 N CB -0.102 38.472 38.487 0.145 0.000 1.182 681 N HN 0.606 nan 8.380 nan 0.000 0.493 682 Y N -1.209 119.135 120.300 0.073 0.000 3.042 682 Y HA 0.118 4.668 4.550 -0.001 0.000 0.230 682 Y C 1.775 177.663 175.900 -0.020 0.000 1.107 682 Y CA -0.277 57.803 58.100 -0.033 0.000 1.346 682 Y CB -0.065 38.380 38.460 -0.026 0.000 1.421 682 Y HN -0.084 nan 8.280 nan 0.000 0.438 683 K N 1.478 122.108 120.400 0.384 0.000 2.148 683 K HA -0.223 4.096 4.320 -0.002 0.000 0.213 683 K C -1.277 175.306 176.600 -0.028 0.000 1.050 683 K CA 2.465 58.861 56.287 0.182 0.000 0.932 683 K CB -1.029 31.704 32.500 0.388 0.000 0.717 683 K HN 0.259 nan 8.250 nan 0.000 0.462 684 P HA -0.163 nan 4.420 nan 0.000 0.226 684 P C 0.307 177.534 177.300 -0.120 0.000 1.146 684 P CA 1.231 64.290 63.100 -0.068 0.000 0.773 684 P CB 0.032 31.700 31.700 -0.053 0.000 0.772 685 K N -0.488 119.807 120.400 -0.176 0.000 2.062 685 K HA -0.039 4.280 4.320 -0.002 0.000 0.205 685 K C 2.122 178.617 176.600 -0.175 0.000 1.051 685 K CA 0.870 57.045 56.287 -0.187 0.000 0.941 685 K CB -0.337 32.020 32.500 -0.239 0.000 0.719 685 K HN 0.082 nan 8.250 nan 0.000 0.440 686 I N 2.352 122.746 120.570 -0.294 0.000 2.127 686 I HA -0.300 3.869 4.170 -0.002 0.000 0.241 686 I C 1.571 177.579 176.117 -0.182 0.000 1.075 686 I CA 1.681 62.765 61.300 -0.361 0.000 1.334 686 I CB -1.041 36.497 38.000 -0.770 0.000 1.040 686 I HN 0.231 nan 8.210 nan 0.000 0.405 687 D N 0.429 120.741 120.400 -0.145 0.000 2.354 687 D HA -0.179 4.460 4.640 -0.002 0.000 0.216 687 D C 2.131 178.399 176.300 -0.054 0.000 0.970 687 D CA 0.784 54.740 54.000 -0.072 0.000 0.905 687 D CB 0.015 40.786 40.800 -0.049 0.000 0.903 687 D HN 0.479 nan 8.370 nan 0.000 0.508 688 Q N 0.075 119.838 119.800 -0.062 0.000 2.134 688 Q HA 0.088 4.427 4.340 -0.002 0.000 0.195 688 Q C 2.688 178.685 176.000 -0.005 0.000 0.958 688 Q CA 0.162 55.942 55.803 -0.037 0.000 0.840 688 Q CB -0.291 28.419 28.738 -0.046 0.000 0.918 688 Q HN 0.357 nan 8.270 nan 0.000 0.467 689 L N 1.499 122.732 121.223 0.017 0.000 2.187 689 L HA -0.176 4.163 4.340 -0.002 0.000 0.213 689 L C 2.030 178.914 176.870 0.024 0.000 1.100 689 L CA 0.929 55.832 54.840 0.105 0.000 0.765 689 L CB -0.575 41.614 42.059 0.216 0.000 0.904 689 L HN 0.175 nan 8.230 nan 0.000 0.437 690 E N 0.382 120.583 120.200 0.003 0.000 2.273 690 E HA -0.179 4.170 4.350 -0.002 0.000 0.198 690 E C 2.027 178.626 176.600 -0.002 0.000 1.002 690 E CA 1.407 57.815 56.400 0.013 0.000 0.828 690 E CB -0.170 29.531 29.700 0.001 0.000 0.747 690 E HN 0.593 nan 8.360 nan 0.000 0.491 691 G N 0.084 108.875 108.800 -0.016 0.000 2.781 691 G HA2 -0.060 3.899 3.960 -0.002 0.000 0.208 691 G HA3 -0.060 3.899 3.960 -0.002 0.000 0.208 691 G C 1.017 175.900 174.900 -0.028 0.000 1.099 691 G CA 0.022 45.102 45.100 -0.032 0.000 0.776 691 G HN 0.099 nan 8.290 nan 0.000 0.532 692 D N -0.111 120.287 120.400 -0.003 0.000 2.133 692 D HA -0.140 4.499 4.640 -0.002 0.000 0.195 692 D C 1.877 178.136 176.300 -0.068 0.000 0.997 692 D CA 1.127 55.133 54.000 0.011 0.000 0.840 692 D CB -0.227 40.657 40.800 0.139 0.000 0.947 692 D HN 0.500 nan 8.370 nan 0.000 0.452 693 H N -0.178 118.705 119.070 -0.312 0.000 2.267 693 H HA -0.162 4.392 4.556 -0.002 0.000 0.297 693 H C 2.202 177.382 175.328 -0.247 0.000 1.080 693 H CA 1.174 56.995 56.048 -0.379 0.000 1.278 693 H CB 0.239 29.776 29.762 -0.374 0.000 1.365 693 H HN 0.010 nan 8.280 nan 0.000 0.489 694 Q N 0.468 120.170 119.800 -0.163 0.000 2.062 694 Q HA -0.219 4.120 4.340 -0.002 0.000 0.209 694 Q C 2.306 178.217 176.000 -0.147 0.000 0.996 694 Q CA 1.716 57.404 55.803 -0.193 0.000 0.859 694 Q CB -0.246 28.413 28.738 -0.131 0.000 0.920 694 Q HN 0.621 nan 8.270 nan 0.000 0.415 695 Q N -0.002 119.740 119.800 -0.096 0.000 2.029 695 Q HA -0.198 4.141 4.340 -0.002 0.000 0.209 695 Q C 2.323 178.268 176.000 -0.091 0.000 0.999 695 Q CA 1.666 57.425 55.803 -0.074 0.000 0.857 695 Q CB -0.522 28.192 28.738 -0.041 0.000 0.926 695 Q HN 0.496 nan 8.270 nan 0.000 0.415 696 I N 0.943 121.450 120.570 -0.105 0.000 2.361 696 I HA -0.258 3.911 4.170 -0.002 0.000 0.251 696 I C 2.270 178.235 176.117 -0.254 0.000 1.133 696 I CA 0.930 62.149 61.300 -0.134 0.000 1.413 696 I CB -0.184 37.749 38.000 -0.112 0.000 1.073 696 I HN 0.220 nan 8.210 nan 0.000 0.424 697 Q N 0.343 119.961 119.800 -0.304 0.000 2.369 697 Q HA -0.106 4.233 4.340 -0.002 0.000 0.206 697 Q C 1.513 177.373 176.000 -0.234 0.000 0.963 697 Q CA 0.849 56.396 55.803 -0.426 0.000 0.894 697 Q CB -0.017 28.473 28.738 -0.414 0.000 0.965 697 Q HN 0.520 nan 8.270 nan 0.000 0.475 698 E N -0.177 119.938 120.200 -0.142 0.000 2.474 698 E HA 0.103 4.452 4.350 -0.002 0.000 0.194 698 E C 0.688 177.265 176.600 -0.038 0.000 1.041 698 E CA 0.267 56.625 56.400 -0.069 0.000 0.874 698 E CB 0.479 30.143 29.700 -0.059 0.000 0.914 698 E HN 0.192 nan 8.360 nan 0.000 0.498 699 A N 1.114 123.906 122.820 -0.047 0.000 2.574 699 A HA 0.205 4.524 4.320 -0.002 0.000 0.283 699 A C 0.560 178.156 177.584 0.019 0.000 1.270 699 A CA -0.389 51.639 52.037 -0.015 0.000 0.945 699 A CB 0.064 19.050 19.000 -0.022 0.000 1.127 699 A HN 0.104 nan 8.150 nan 0.000 0.522 700 L N -0.635 120.625 121.223 0.062 0.000 3.678 700 L HA -0.203 4.136 4.340 -0.002 0.000 0.425 700 L C -0.298 176.699 176.870 0.212 0.000 1.240 700 L CA 1.057 56.017 54.840 0.201 0.000 0.876 700 L CB -2.260 39.890 42.059 0.152 0.000 1.766 700 L HN 0.777 nan 8.230 nan 0.000 0.917 701 I N -4.635 116.005 120.570 0.117 0.000 2.447 701 I HA 0.549 4.718 4.170 -0.002 0.000 0.287 701 I C 0.296 176.439 176.117 0.043 0.000 1.023 701 I CA -0.337 61.039 61.300 0.127 0.000 1.083 701 I CB 1.460 39.496 38.000 0.060 0.000 1.245 701 I HN -0.067 nan 8.210 nan 0.000 0.434 702 F N 2.944 122.915 119.950 0.036 0.000 2.746 702 F HA 0.242 4.767 4.527 -0.002 0.000 0.313 702 F C 0.623 176.447 175.800 0.039 0.000 1.095 702 F CA -0.171 57.853 58.000 0.039 0.000 1.224 702 F CB 0.348 39.370 39.000 0.036 0.000 1.060 702 F HN 0.610 nan 8.300 nan 0.000 0.584 703 D N 0.218 120.728 120.400 0.184 0.000 2.198 703 D HA 0.090 4.729 4.640 -0.002 0.000 0.245 703 D C -0.777 175.567 176.300 0.073 0.000 1.079 703 D CA -0.145 53.924 54.000 0.116 0.000 0.854 703 D CB 1.384 42.239 40.800 0.092 0.000 1.148 703 D HN -0.080 nan 8.370 nan 0.000 0.456 704 N N 2.660 121.402 118.700 0.070 0.000 2.626 704 N HA 0.103 4.842 4.740 -0.002 0.000 0.249 704 N C -0.506 175.006 175.510 0.003 0.000 1.021 704 N CA -0.434 52.648 53.050 0.054 0.000 0.886 704 N CB 1.069 39.646 38.487 0.150 0.000 1.149 704 N HN 0.358 nan 8.380 nan 0.000 0.517 705 K N 1.517 121.859 120.400 -0.098 0.000 2.596 705 K HA 0.117 4.436 4.320 -0.002 0.000 0.211 705 K C 0.155 176.656 176.600 -0.165 0.000 1.046 705 K CA 0.152 56.370 56.287 -0.116 0.000 1.202 705 K CB 0.309 32.731 32.500 -0.130 0.000 0.925 705 K HN 0.575 nan 8.250 nan 0.000 0.486 706 H N -1.643 117.451 119.070 0.040 0.000 2.885 706 H HA 0.058 4.612 4.556 -0.002 0.000 0.260 706 H C 0.232 175.580 175.328 0.033 0.000 0.985 706 H CA 0.018 56.082 56.048 0.027 0.000 1.210 706 H CB 1.319 31.086 29.762 0.009 0.000 1.466 706 H HN -0.064 nan 8.280 nan 0.000 0.493 707 T N -0.127 114.518 114.554 0.153 0.000 2.885 707 T HA 0.209 4.558 4.350 -0.002 0.000 0.285 707 T C -0.203 174.578 174.700 0.135 0.000 1.019 707 T CA -0.764 61.431 62.100 0.160 0.000 1.010 707 T CB 0.937 69.876 68.868 0.118 0.000 1.022 707 T HN 0.262 nan 8.240 nan 0.000 0.466 708 N N 2.844 121.626 118.700 0.137 0.000 2.380 708 N HA 0.297 5.036 4.740 -0.002 0.000 0.255 708 N C -0.465 174.905 175.510 -0.233 0.000 1.158 708 N CA -0.118 52.898 53.050 -0.055 0.000 0.878 708 N CB 0.490 38.898 38.487 -0.131 0.000 1.138 708 N HN 0.535 nan 8.380 nan 0.000 0.509 709 Y N -0.378 119.938 120.300 0.028 0.000 2.723 709 Y HA 0.158 4.707 4.550 -0.002 0.000 0.272 709 Y C 1.192 177.090 175.900 -0.003 0.000 1.142 709 Y CA 0.600 58.727 58.100 0.045 0.000 1.217 709 Y CB 0.302 38.798 38.460 0.060 0.000 1.391 709 Y HN 0.106 nan 8.280 nan 0.000 0.479 710 T N -2.549 112.133 114.554 0.215 0.000 0.541 710 T HA -0.290 4.059 4.350 -0.002 0.000 0.774 710 T C 0.532 175.412 174.700 0.300 0.000 0.992 710 T CA 0.552 62.765 62.100 0.188 0.000 4.077 710 T CB -0.867 67.999 68.868 -0.004 0.000 2.303 710 T HN 0.103 nan 8.240 nan 0.000 0.398 711 M N 0.853 120.484 119.600 0.051 0.000 2.115 711 M HA 0.062 4.541 4.480 -0.002 0.000 0.261 711 M C 2.459 178.772 176.300 0.022 0.000 1.079 711 M CA 2.133 57.371 55.300 -0.104 0.000 1.143 711 M CB -1.572 30.528 32.600 -0.833 0.000 1.332 711 M HN 0.764 nan 8.290 nan 0.000 0.421 712 E N -0.322 119.881 120.200 0.005 0.000 2.085 712 E HA -0.220 4.129 4.350 -0.002 0.000 0.194 712 E C 1.797 178.540 176.600 0.238 0.000 0.994 712 E CA 1.322 57.786 56.400 0.108 0.000 0.801 712 E CB -0.697 29.069 29.700 0.111 0.000 0.743 712 E HN 0.549 nan 8.360 nan 0.000 0.453 713 H N -0.306 118.850 119.070 0.143 0.000 2.546 713 H HA 0.005 4.561 4.556 -0.001 0.000 0.277 713 H C 1.867 177.329 175.328 0.224 0.000 1.004 713 H CA 0.188 56.339 56.048 0.170 0.000 1.231 713 H CB -0.166 29.699 29.762 0.171 0.000 1.382 713 H HN 0.095 nan 8.280 nan 0.000 0.580 714 I N 0.427 121.197 120.570 0.334 0.000 2.162 714 I HA -0.164 4.005 4.170 -0.002 0.000 0.238 714 I C 2.486 178.781 176.117 0.297 0.000 1.076 714 I CA 1.061 62.532 61.300 0.285 0.000 1.353 714 I CB -0.299 37.834 38.000 0.222 0.000 1.063 714 I HN 0.017 nan 8.210 nan 0.000 0.408 715 R N -0.152 120.491 120.500 0.237 0.000 2.122 715 R HA -0.189 4.150 4.340 -0.002 0.000 0.236 715 R C 2.194 178.648 176.300 0.256 0.000 1.129 715 R CA 2.139 58.380 56.100 0.234 0.000 0.925 715 R CB -0.909 29.491 30.300 0.166 0.000 0.850 715 R HN 0.209 nan 8.270 nan 0.000 0.431 716 V N 0.172 120.213 119.914 0.212 0.000 2.490 716 V HA -0.153 3.966 4.120 -0.002 0.000 0.250 716 V C 2.338 178.518 176.094 0.144 0.000 1.061 716 V CA 1.949 64.347 62.300 0.164 0.000 1.064 716 V CB -0.960 30.950 31.823 0.145 0.000 0.670 716 V HN 0.615 nan 8.190 nan 0.000 0.461 717 G N -1.030 107.877 108.800 0.180 0.000 2.446 717 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.217 717 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.217 717 G C 1.486 176.471 174.900 0.141 0.000 1.168 717 G CA 0.763 45.953 45.100 0.150 0.000 0.771 717 G HN 0.551 nan 8.290 nan 0.000 0.551 718 W N 1.228 122.573 121.300 0.074 0.000 2.358 718 W HA -0.030 4.629 4.660 -0.001 0.000 0.303 718 W C 2.347 178.905 176.519 0.065 0.000 1.208 718 W CA 1.511 58.901 57.345 0.075 0.000 1.274 718 W CB 0.089 29.606 29.460 0.094 0.000 1.138 718 W HN 0.251 nan 8.180 nan 0.000 0.515 719 E N -0.194 120.130 120.200 0.206 0.000 2.106 719 E HA -0.224 4.125 4.350 -0.002 0.000 0.192 719 E C 1.984 178.601 176.600 0.028 0.000 0.984 719 E CA 0.889 57.358 56.400 0.115 0.000 0.806 719 E CB -0.543 29.233 29.700 0.125 0.000 0.750 719 E HN 0.363 nan 8.360 nan 0.000 0.458 720 Q N 0.642 120.452 119.800 0.017 0.000 2.050 720 Q HA -0.151 4.188 4.340 -0.002 0.000 0.202 720 Q C 2.342 178.292 176.000 -0.083 0.000 0.980 720 Q CA 0.818 56.608 55.803 -0.023 0.000 0.840 720 Q CB -0.309 28.420 28.738 -0.014 0.000 0.898 720 Q HN 0.218 nan 8.270 nan 0.000 0.424 721 L N 0.512 121.640 121.223 -0.158 0.000 2.042 721 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 721 L C 2.251 178.968 176.870 -0.255 0.000 1.076 721 L CA 1.356 56.026 54.840 -0.284 0.000 0.749 721 L CB -0.645 41.083 42.059 -0.551 0.000 0.893 721 L HN 0.203 nan 8.230 nan 0.000 0.432 722 L N -1.126 119.967 121.223 -0.218 0.000 2.275 722 L HA -0.158 4.181 4.340 -0.002 0.000 0.215 722 L C 2.322 179.159 176.870 -0.056 0.000 1.119 722 L CA 1.754 56.529 54.840 -0.108 0.000 0.790 722 L CB -1.149 40.892 42.059 -0.030 0.000 0.919 722 L HN 0.270 nan 8.230 nan 0.000 0.443 723 T N -1.928 112.595 114.554 -0.053 0.000 2.867 723 T HA -0.125 4.224 4.350 -0.002 0.000 0.268 723 T C 1.776 176.450 174.700 -0.044 0.000 1.057 723 T CA 1.702 63.781 62.100 -0.035 0.000 1.136 723 T CB -0.224 68.628 68.868 -0.026 0.000 0.874 723 T HN 0.367 nan 8.240 nan 0.000 0.466 724 T N 2.693 117.205 114.554 -0.070 0.000 2.937 724 T HA 0.110 4.459 4.350 -0.002 0.000 0.260 724 T C 2.139 176.807 174.700 -0.054 0.000 1.051 724 T CA 0.874 62.932 62.100 -0.069 0.000 1.141 724 T CB -0.350 68.459 68.868 -0.099 0.000 0.879 724 T HN 0.619 nan 8.240 nan 0.000 0.459 725 I N 0.629 121.164 120.570 -0.059 0.000 2.315 725 I HA 0.058 4.227 4.170 -0.002 0.000 0.248 725 I C 2.703 178.814 176.117 -0.010 0.000 1.117 725 I CA 1.169 62.455 61.300 -0.024 0.000 1.404 725 I CB -0.658 37.332 38.000 -0.016 0.000 1.071 725 I HN 0.116 nan 8.210 nan 0.000 0.419 726 A N 1.679 124.491 122.820 -0.013 0.000 1.872 726 A HA -0.063 4.256 4.320 -0.002 0.000 0.214 726 A C 2.524 180.105 177.584 -0.004 0.000 1.187 726 A CA 1.283 53.318 52.037 -0.003 0.000 0.614 726 A CB -0.518 18.481 19.000 -0.001 0.000 0.826 726 A HN 0.423 nan 8.150 nan 0.000 0.442 727 R N -0.972 119.522 120.500 -0.010 0.000 2.075 727 R HA -0.034 4.305 4.340 -0.002 0.000 0.226 727 R C 2.167 178.462 176.300 -0.007 0.000 1.114 727 R CA 1.588 57.683 56.100 -0.009 0.000 0.972 727 R CB -0.665 29.627 30.300 -0.012 0.000 0.869 727 R HN 0.508 nan 8.270 nan 0.000 0.437 728 T N 1.417 115.966 114.554 -0.009 0.000 2.849 728 T HA -0.094 4.255 4.350 -0.002 0.000 0.270 728 T C 1.848 176.553 174.700 0.007 0.000 1.066 728 T CA 1.048 63.147 62.100 -0.001 0.000 1.130 728 T CB -0.093 68.775 68.868 -0.000 0.000 0.864 728 T HN 0.156 nan 8.240 nan 0.000 0.481 729 I N 1.168 121.743 120.570 0.007 0.000 2.277 729 I HA -0.098 4.071 4.170 -0.002 0.000 0.243 729 I C 2.715 178.835 176.117 0.006 0.000 1.094 729 I CA 0.829 62.134 61.300 0.009 0.000 1.393 729 I CB -0.359 37.647 38.000 0.010 0.000 1.078 729 I HN 0.292 nan 8.210 nan 0.000 0.417 730 N N 0.845 119.546 118.700 0.003 0.000 2.069 730 N HA -0.234 4.505 4.740 -0.002 0.000 0.191 730 N C 1.764 177.274 175.510 -0.000 0.000 1.031 730 N CA 1.379 54.430 53.050 0.002 0.000 0.852 730 N CB 0.131 38.618 38.487 0.001 0.000 1.018 730 N HN 0.291 nan 8.380 nan 0.000 0.423 731 E N 0.484 120.683 120.200 -0.001 0.000 2.072 731 E HA -0.103 4.245 4.350 -0.002 0.000 0.191 731 E C 2.184 178.784 176.600 0.001 0.000 0.985 731 E CA 0.589 56.988 56.400 -0.002 0.000 0.801 731 E CB -0.244 29.454 29.700 -0.003 0.000 0.750 731 E HN 0.243 nan 8.360 nan 0.000 0.452 732 V N 1.852 121.768 119.914 0.005 0.000 2.343 732 V HA -0.182 3.937 4.120 -0.002 0.000 0.247 732 V C 1.385 177.482 176.094 0.004 0.000 1.051 732 V CA 1.306 63.611 62.300 0.007 0.000 1.036 732 V CB -0.334 31.497 31.823 0.014 0.000 0.654 732 V HN 0.196 nan 8.190 nan 0.000 0.451 733 E N 0.339 120.541 120.200 0.003 0.000 2.975 733 E HA -0.009 4.340 4.350 -0.002 0.000 0.301 733 E C 0.476 177.075 176.600 -0.002 0.000 1.554 733 E CA 0.234 56.635 56.400 0.001 0.000 1.716 733 E CB -0.296 29.405 29.700 0.002 0.000 1.365 733 E HN 0.630 nan 8.360 nan 0.000 0.469 734 N N -0.934 117.763 118.700 -0.004 0.000 2.329 734 N HA -0.087 4.652 4.740 -0.002 0.000 0.303 734 N C 1.249 176.753 175.510 -0.011 0.000 0.752 734 N CA -0.211 52.834 53.050 -0.009 0.000 0.890 734 N CB 0.302 38.784 38.487 -0.008 0.000 1.999 734 N HN -0.110 nan 8.380 nan 0.000 1.182 735 Q N 1.216 121.012 119.800 -0.006 0.000 1.985 735 Q HA -0.146 4.193 4.340 -0.002 0.000 0.207 735 Q C 1.974 177.970 176.000 -0.007 0.000 0.996 735 Q CA 1.649 57.449 55.803 -0.005 0.000 0.851 735 Q CB -0.584 28.156 28.738 0.003 0.000 0.921 735 Q HN 0.555 nan 8.270 nan 0.000 0.418 736 I N 0.388 120.957 120.570 -0.001 0.000 2.361 736 I HA -0.228 3.941 4.170 -0.002 0.000 0.251 736 I C 1.881 177.989 176.117 -0.014 0.000 1.133 736 I CA 0.770 62.070 61.300 0.000 0.000 1.413 736 I CB 0.024 38.030 38.000 0.010 0.000 1.073 736 I HN 0.125 nan 8.210 nan 0.000 0.424 737 L N -0.189 121.025 121.223 -0.015 0.000 2.291 737 L HA -0.104 4.235 4.340 -0.002 0.000 0.214 737 L C 2.020 178.866 176.870 -0.041 0.000 1.120 737 L CA 1.189 56.016 54.840 -0.022 0.000 0.799 737 L CB -0.779 41.271 42.059 -0.015 0.000 0.925 737 L HN 0.278 nan 8.230 nan 0.000 0.446 738 T N -2.227 112.300 114.554 -0.044 0.000 3.056 738 T HA 0.019 4.368 4.350 -0.002 0.000 0.243 738 T C 1.133 175.791 174.700 -0.071 0.000 0.995 738 T CA -0.233 61.836 62.100 -0.053 0.000 1.091 738 T CB 0.139 68.984 68.868 -0.037 0.000 0.990 738 T HN 0.072 nan 8.240 nan 0.000 0.464 739 R N 3.936 124.396 120.500 -0.066 0.000 2.605 739 R HA 0.003 4.342 4.340 -0.002 0.000 0.271 739 R C -0.341 175.894 176.300 -0.108 0.000 1.418 739 R CA 0.056 56.117 56.100 -0.064 0.000 1.102 739 R CB -0.266 30.014 30.300 -0.034 0.000 1.131 739 R HN 0.307 nan 8.270 nan 0.000 0.554 740 D N 3.720 124.049 120.400 -0.117 0.000 3.179 740 D HA 0.213 4.852 4.640 -0.002 0.000 0.267 740 D C -0.129 176.113 176.300 -0.097 0.000 1.348 740 D CA 0.234 54.135 54.000 -0.165 0.000 0.897 740 D CB 0.168 40.871 40.800 -0.161 0.000 1.062 740 D HN 0.604 nan 8.370 nan 0.000 0.494 741 A N 0.371 123.153 122.820 -0.062 0.000 6.374 741 A HA -0.147 4.172 4.320 -0.002 0.000 0.225 741 A C -0.192 177.394 177.584 0.003 0.000 2.414 741 A CA -0.297 51.737 52.037 -0.005 0.000 0.680 741 A CB -1.062 17.952 19.000 0.023 0.000 0.910 741 A HN 0.400 nan 8.150 nan 0.000 0.349 742 K N -0.586 119.825 120.400 0.019 0.000 2.234 742 K HA 0.425 4.744 4.320 -0.002 0.000 0.251 742 K C 0.864 177.493 176.600 0.049 0.000 1.011 742 K CA 0.860 57.169 56.287 0.036 0.000 0.889 742 K CB 0.358 32.880 32.500 0.035 0.000 1.011 742 K HN 1.294 nan 8.250 nan 0.000 0.505 743 G N 0.483 109.322 108.800 0.066 0.000 3.251 743 G HA2 0.580 4.538 3.960 -0.002 0.000 0.248 743 G HA3 0.580 4.538 3.960 -0.002 0.000 0.248 743 G C -1.045 173.891 174.900 0.061 0.000 1.320 743 G CA -0.812 44.335 45.100 0.079 0.000 0.982 743 G HN 0.508 nan 8.290 nan 0.000 0.575 744 I N -0.175 120.429 120.570 0.057 0.000 2.603 744 I HA 0.376 4.545 4.170 -0.002 0.000 0.300 744 I C 0.104 176.245 176.117 0.040 0.000 1.017 744 I CA -0.448 60.875 61.300 0.038 0.000 1.098 744 I CB 2.211 40.223 38.000 0.021 0.000 1.279 744 I HN 0.584 nan 8.210 nan 0.000 0.437 745 S N 2.551 118.273 115.700 0.036 0.000 3.867 745 S HA -0.173 4.296 4.470 -0.002 0.000 0.334 745 S C 0.795 175.436 174.600 0.068 0.000 1.069 745 S CA 0.896 59.121 58.200 0.041 0.000 0.977 745 S CB -1.294 61.915 63.200 0.016 0.000 0.889 745 S HN 0.865 nan 8.310 nan 0.000 0.484 746 Q N 0.955 120.797 119.800 0.069 0.000 2.331 746 Q HA 0.206 4.545 4.340 -0.002 0.000 0.203 746 Q C 1.415 177.470 176.000 0.092 0.000 0.944 746 Q CA 1.522 57.370 55.803 0.076 0.000 0.892 746 Q CB -0.213 28.561 28.738 0.059 0.000 0.983 746 Q HN 0.706 nan 8.270 nan 0.000 0.482 747 E N 0.272 120.529 120.200 0.096 0.000 2.122 747 E HA -0.037 4.312 4.350 -0.002 0.000 0.190 747 E C 2.006 178.690 176.600 0.141 0.000 0.977 747 E CA 0.623 57.087 56.400 0.106 0.000 0.820 747 E CB 0.184 29.941 29.700 0.094 0.000 0.770 747 E HN 0.505 nan 8.360 nan 0.000 0.462 748 Q N 0.075 119.969 119.800 0.156 0.000 2.096 748 Q HA -0.050 4.289 4.340 -0.002 0.000 0.197 748 Q C 2.151 178.323 176.000 0.287 0.000 0.964 748 Q CA 0.776 56.711 55.803 0.220 0.000 0.838 748 Q CB -0.036 28.806 28.738 0.173 0.000 0.906 748 Q HN 0.267 nan 8.270 nan 0.000 0.444 749 M N 0.920 120.635 119.600 0.193 0.000 2.213 749 M HA -0.186 4.293 4.480 -0.002 0.000 0.263 749 M C 1.457 177.934 176.300 0.294 0.000 1.062 749 M CA 1.334 56.765 55.300 0.217 0.000 1.105 749 M CB -0.022 32.664 32.600 0.143 0.000 1.385 749 M HN 0.193 nan 8.290 nan 0.000 0.417 750 N N -0.339 118.495 118.700 0.224 0.000 2.188 750 N HA -0.160 4.579 4.740 -0.002 0.000 0.184 750 N C 1.409 177.044 175.510 0.208 0.000 1.018 750 N CA 1.109 54.272 53.050 0.187 0.000 0.858 750 N CB 0.065 38.627 38.487 0.125 0.000 0.989 750 N HN 0.430 nan 8.380 nan 0.000 0.426 751 E N 0.668 121.010 120.200 0.237 0.000 2.028 751 E HA -0.084 4.265 4.350 -0.002 0.000 0.190 751 E C 1.814 178.540 176.600 0.209 0.000 0.984 751 E CA 0.767 57.272 56.400 0.174 0.000 0.800 751 E CB -0.505 29.263 29.700 0.112 0.000 0.758 751 E HN 0.362 nan 8.360 nan 0.000 0.448 752 F N 1.340 121.442 119.950 0.253 0.000 2.161 752 F HA -0.159 4.367 4.527 -0.002 0.000 0.300 752 F C 2.601 178.687 175.800 0.478 0.000 1.089 752 F CA 0.885 59.119 58.000 0.390 0.000 1.282 752 F CB -0.142 39.101 39.000 0.404 0.000 1.010 752 F HN -0.035 nan 8.300 nan 0.000 0.485 753 R N 1.301 122.158 120.500 0.594 0.000 2.096 753 R HA -0.126 4.213 4.340 -0.002 0.000 0.235 753 R C 2.146 178.576 176.300 0.216 0.000 1.127 753 R CA 1.516 57.852 56.100 0.393 0.000 0.968 753 R CB -0.836 29.596 30.300 0.220 0.000 0.861 753 R HN 0.290 nan 8.270 nan 0.000 0.440 754 A N 0.133 123.065 122.820 0.186 0.000 1.930 754 A HA -0.078 4.241 4.320 -0.002 0.000 0.217 754 A C 2.223 179.901 177.584 0.156 0.000 1.175 754 A CA 1.675 53.785 52.037 0.122 0.000 0.627 754 A CB -0.430 18.631 19.000 0.101 0.000 0.815 754 A HN 0.445 nan 8.150 nan 0.000 0.443 755 S N -1.300 114.517 115.700 0.195 0.000 2.442 755 S HA -0.080 4.389 4.470 -0.002 0.000 0.236 755 S C 1.458 176.176 174.600 0.197 0.000 1.007 755 S CA 1.177 59.492 58.200 0.193 0.000 0.965 755 S CB -0.380 62.919 63.200 0.165 0.000 0.773 755 S HN 0.586 nan 8.310 nan 0.000 0.504 756 F N 2.399 122.387 119.950 0.064 0.000 2.473 756 F HA 0.243 4.769 4.527 -0.002 0.000 0.294 756 F C 1.934 177.674 175.800 -0.099 0.000 1.103 756 F CA 0.285 58.286 58.000 0.003 0.000 1.442 756 F CB -0.144 38.916 39.000 0.099 0.000 1.097 756 F HN 0.107 nan 8.300 nan 0.000 0.547 757 N N -0.351 118.370 118.700 0.034 0.000 2.512 757 N HA -0.161 4.578 4.740 -0.002 0.000 0.183 757 N C 1.506 176.674 175.510 -0.570 0.000 1.073 757 N CA 0.762 53.697 53.050 -0.191 0.000 0.911 757 N CB -0.326 38.038 38.487 -0.206 0.000 0.964 757 N HN 0.394 nan 8.380 nan 0.000 0.447 758 H N -1.627 117.204 119.070 -0.398 0.000 2.547 758 H HA 0.033 4.588 4.556 -0.002 0.000 0.272 758 H C 0.602 175.079 175.328 -1.420 0.000 0.989 758 H CA 0.694 56.239 56.048 -0.838 0.000 1.214 758 H CB 0.236 29.424 29.762 -0.956 0.000 1.389 758 H HN 0.310 nan 8.280 nan 0.000 0.577 759 F N -0.429 119.400 119.950 -0.201 0.000 2.789 759 F HA 0.117 4.644 4.527 -0.000 0.000 0.320 759 F C 0.810 176.496 175.800 -0.190 0.000 1.079 759 F CA -0.489 57.363 58.000 -0.247 0.000 1.205 759 F CB 0.791 39.540 39.000 -0.419 0.000 1.046 759 F HN -0.206 nan 8.300 nan 0.000 0.586 760 D N 2.512 122.887 120.400 -0.043 0.000 2.669 760 D HA 0.008 4.647 4.640 -0.002 0.000 0.229 760 D C 1.092 177.344 176.300 -0.080 0.000 1.092 760 D CA 0.284 54.299 54.000 0.024 0.000 1.175 760 D CB 0.098 40.943 40.800 0.074 0.000 1.133 760 D HN 0.148 nan 8.370 nan 0.000 0.471 761 R N 0.600 121.056 120.500 -0.073 0.000 2.334 761 R HA 0.070 4.409 4.340 -0.002 0.000 0.220 761 R C 1.383 177.666 176.300 -0.028 0.000 0.917 761 R CA -0.028 56.029 56.100 -0.072 0.000 1.073 761 R CB 0.406 30.666 30.300 -0.068 0.000 1.056 761 R HN 0.286 nan 8.270 nan 0.000 0.506 762 K N 0.328 120.726 120.400 -0.003 0.000 2.242 762 K HA 0.061 4.380 4.320 -0.002 0.000 0.200 762 K C 0.434 177.036 176.600 0.002 0.000 1.050 762 K CA -0.147 56.146 56.287 0.010 0.000 0.981 762 K CB 0.413 32.934 32.500 0.035 0.000 0.795 762 K HN -0.100 nan 8.250 nan 0.000 0.477 763 K N 1.436 121.834 120.400 -0.003 0.000 3.203 763 K HA -0.171 4.148 4.320 -0.002 0.000 0.270 763 K C 0.155 176.754 176.600 -0.002 0.000 1.132 763 K CA 0.863 57.141 56.287 -0.015 0.000 0.794 763 K CB -1.538 30.944 32.500 -0.029 0.000 1.270 763 K HN 0.480 nan 8.250 nan 0.000 0.491 764 T N -4.336 110.231 114.554 0.022 0.000 3.125 764 T HA 0.333 4.682 4.350 -0.002 0.000 0.252 764 T C 1.159 175.871 174.700 0.021 0.000 0.981 764 T CA 0.898 63.016 62.100 0.029 0.000 1.069 764 T CB 0.986 69.886 68.868 0.053 0.000 1.091 764 T HN 0.858 nan 8.240 nan 0.000 0.460 765 G N 1.712 110.538 108.800 0.043 0.000 2.173 765 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.174 765 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.174 765 G C -0.279 174.713 174.900 0.154 0.000 1.025 765 G CA -0.162 44.941 45.100 0.004 0.000 0.706 765 G HN 0.613 nan 8.290 nan 0.000 0.499 766 M N 0.165 119.972 119.600 0.346 0.000 2.331 766 M HA 0.408 4.887 4.480 -0.002 0.000 0.249 766 M C 0.067 176.575 176.300 0.347 0.000 1.010 766 M CA -0.598 54.935 55.300 0.388 0.000 0.939 766 M CB 1.963 34.683 32.600 0.201 0.000 2.126 766 M HN 0.398 nan 8.290 nan 0.000 0.472 767 M N -0.410 119.355 119.600 0.274 0.000 2.649 767 M HA 0.697 5.176 4.480 -0.002 0.000 0.294 767 M C -0.712 175.616 176.300 0.047 0.000 1.206 767 M CA -0.577 54.742 55.300 0.031 0.000 0.928 767 M CB 0.847 33.288 32.600 -0.264 0.000 1.571 767 M HN 0.354 nan 8.290 nan 0.000 0.501 768 D N 0.029 120.436 120.400 0.012 0.000 2.377 768 D HA 0.187 4.825 4.640 -0.002 0.000 0.245 768 D C 0.564 176.867 176.300 0.006 0.000 1.196 768 D CA -0.497 53.513 54.000 0.017 0.000 0.962 768 D CB 1.336 42.139 40.800 0.004 0.000 1.127 768 D HN 0.739 nan 8.370 nan 0.000 0.471 769 C N 0.095 119.415 119.300 0.034 0.000 2.448 769 C HA -0.048 4.411 4.460 -0.002 0.000 0.280 769 C C 2.389 177.375 174.990 -0.006 0.000 1.398 769 C CA 0.087 59.145 59.018 0.068 0.000 1.774 769 C CB -0.497 27.304 27.740 0.103 0.000 1.888 769 C HN 0.607 nan 8.230 nan 0.000 0.519 770 E N 1.193 121.335 120.200 -0.097 0.000 2.085 770 E HA -0.178 4.171 4.350 -0.002 0.000 0.194 770 E C 1.244 177.634 176.600 -0.350 0.000 0.994 770 E CA 1.272 57.516 56.400 -0.259 0.000 0.801 770 E CB -0.327 29.276 29.700 -0.163 0.000 0.743 770 E HN 0.632 nan 8.360 nan 0.000 0.453 771 D N -0.680 119.543 120.400 -0.296 0.000 2.349 771 D HA -0.063 4.576 4.640 -0.002 0.000 0.224 771 D C 1.524 177.474 176.300 -0.584 0.000 1.029 771 D CA -0.054 53.623 54.000 -0.537 0.000 0.879 771 D CB -0.241 40.295 40.800 -0.439 0.000 0.906 771 D HN 0.182 nan 8.370 nan 0.000 0.528 772 F N 1.829 121.524 119.950 -0.426 0.000 2.134 772 F HA -0.152 4.374 4.527 -0.001 0.000 0.299 772 F C 2.333 177.974 175.800 -0.266 0.000 1.097 772 F CA 1.082 58.913 58.000 -0.282 0.000 1.264 772 F CB 0.230 39.196 39.000 -0.058 0.000 1.001 772 F HN -0.208 nan 8.300 nan 0.000 0.479 773 R N 0.154 120.641 120.500 -0.022 0.000 2.316 773 R HA 0.027 4.366 4.340 -0.002 0.000 0.202 773 R C 1.662 177.795 176.300 -0.278 0.000 1.029 773 R CA 0.804 56.831 56.100 -0.122 0.000 1.018 773 R CB -0.209 29.880 30.300 -0.352 0.000 0.888 773 R HN 0.356 nan 8.270 nan 0.000 0.471 774 A N -0.654 121.854 122.820 -0.519 0.000 2.044 774 A HA -0.017 4.302 4.320 -0.002 0.000 0.213 774 A C 2.050 179.213 177.584 -0.701 0.000 1.169 774 A CA 0.313 51.914 52.037 -0.727 0.000 0.724 774 A CB -0.476 17.757 19.000 -1.279 0.000 0.840 774 A HN 0.492 nan 8.150 nan 0.000 0.463 775 C N -0.484 118.416 119.300 -0.665 0.000 2.467 775 C HA 0.185 4.644 4.460 -0.002 0.000 0.279 775 C C 2.509 177.457 174.990 -0.070 0.000 1.347 775 C CA 0.692 59.481 59.018 -0.381 0.000 1.748 775 C CB -1.404 25.842 27.740 -0.824 0.000 1.977 775 C HN 0.593 nan 8.230 nan 0.000 0.501 776 L N 0.218 121.430 121.223 -0.019 0.000 2.093 776 L HA -0.040 4.299 4.340 -0.002 0.000 0.208 776 L C 2.121 179.045 176.870 0.091 0.000 1.085 776 L CA 1.410 56.325 54.840 0.124 0.000 0.755 776 L CB -0.511 41.648 42.059 0.167 0.000 0.904 776 L HN 0.280 nan 8.230 nan 0.000 0.435 777 I N -1.183 119.400 120.570 0.022 0.000 3.749 777 I HA -0.081 4.088 4.170 -0.002 0.000 0.314 777 I C 2.108 178.254 176.117 0.048 0.000 1.267 777 I CA 0.138 61.455 61.300 0.028 0.000 1.169 777 I CB 0.211 38.207 38.000 -0.007 0.000 1.009 777 I HN 0.083 nan 8.210 nan 0.000 0.444 778 S N 0.054 115.803 115.700 0.081 0.000 2.388 778 S HA -0.026 4.443 4.470 -0.002 0.000 0.223 778 S C 1.877 176.507 174.600 0.050 0.000 1.034 778 S CA 0.825 59.096 58.200 0.117 0.000 0.963 778 S CB 0.096 63.445 63.200 0.248 0.000 0.827 778 S HN 0.364 nan 8.310 nan 0.000 0.481 779 M N -0.013 119.614 119.600 0.045 0.000 2.139 779 M HA 0.088 4.567 4.480 -0.002 0.000 0.260 779 M C 2.070 178.392 176.300 0.036 0.000 1.078 779 M CA 1.960 57.266 55.300 0.009 0.000 1.106 779 M CB -0.515 32.077 32.600 -0.013 0.000 1.275 779 M HN 0.530 nan 8.290 nan 0.000 0.425 780 G N -2.726 106.123 108.800 0.081 0.000 4.062 780 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.171 780 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.171 780 G C -0.753 174.240 174.900 0.155 0.000 0.858 780 G CA -0.521 44.638 45.100 0.097 0.000 0.924 780 G HN 0.368 nan 8.290 nan 0.000 0.359 781 Y N 3.751 124.076 120.300 0.041 0.000 2.593 781 Y HA 0.639 5.188 4.550 -0.002 0.000 0.331 781 Y C -0.437 175.503 175.900 0.066 0.000 0.986 781 Y CA -1.617 56.513 58.100 0.050 0.000 1.262 781 Y CB 0.328 38.822 38.460 0.058 0.000 1.098 781 Y HN 0.313 nan 8.280 nan 0.000 0.506 782 N N 4.532 123.089 118.700 -0.238 0.000 2.272 782 N HA 0.346 5.085 4.740 -0.002 0.000 0.305 782 N C -0.669 174.644 175.510 -0.330 0.000 1.103 782 N CA -0.728 52.168 53.050 -0.256 0.000 0.791 782 N CB 1.766 40.202 38.487 -0.084 0.000 1.356 782 N HN 0.649 nan 8.380 nan 0.000 0.486 783 M N -0.113 119.331 119.600 -0.261 0.000 2.669 783 M HA 0.405 4.883 4.480 -0.002 0.000 0.248 783 M C 0.590 176.846 176.300 -0.072 0.000 1.382 783 M CA 0.267 55.458 55.300 -0.180 0.000 1.158 783 M CB 0.827 33.320 32.600 -0.178 0.000 1.371 783 M HN 0.798 nan 8.290 nan 0.000 0.540 784 G N -0.559 108.226 108.800 -0.025 0.000 2.322 784 G HA2 0.126 4.084 3.960 -0.002 0.000 0.295 784 G HA3 0.126 4.084 3.960 -0.002 0.000 0.295 784 G C -0.323 174.639 174.900 0.103 0.000 1.369 784 G CA -0.658 44.458 45.100 0.027 0.000 0.821 784 G HN 0.043 nan 8.290 nan 0.000 0.536 785 E N -0.304 119.988 120.200 0.154 0.000 2.200 785 E HA -0.353 3.996 4.350 -0.002 0.000 0.211 785 E C 2.761 179.379 176.600 0.030 0.000 1.048 785 E CA 2.076 58.627 56.400 0.251 0.000 0.851 785 E CB -0.426 29.352 29.700 0.132 0.000 0.747 785 E HN 0.728 nan 8.360 nan 0.000 0.462 786 A N 0.985 123.792 122.820 -0.022 0.000 1.948 786 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 786 A C 2.106 179.621 177.584 -0.114 0.000 1.177 786 A CA 2.005 53.989 52.037 -0.088 0.000 0.636 786 A CB -0.376 18.600 19.000 -0.040 0.000 0.815 786 A HN 0.159 nan 8.150 nan 0.000 0.449 787 E N -0.794 119.385 120.200 -0.034 0.000 2.051 787 E HA -0.041 4.308 4.350 -0.002 0.000 0.189 787 E C 1.648 178.181 176.600 -0.113 0.000 0.979 787 E CA 1.345 57.729 56.400 -0.027 0.000 0.803 787 E CB -0.422 29.322 29.700 0.073 0.000 0.761 787 E HN 0.718 nan 8.360 nan 0.000 0.451 788 F N 0.301 120.149 119.950 -0.170 0.000 2.102 788 F HA -0.038 4.489 4.527 -0.001 0.000 0.298 788 F C 1.986 177.649 175.800 -0.228 0.000 1.105 788 F CA 1.434 59.259 58.000 -0.292 0.000 1.239 788 F CB -0.896 37.996 39.000 -0.180 0.000 0.991 788 F HN 0.019 nan 8.300 nan 0.000 0.474 789 A N 1.064 123.192 122.820 -1.153 0.000 1.978 789 A HA -0.190 4.129 4.320 -0.002 0.000 0.220 789 A C 2.511 179.843 177.584 -0.421 0.000 1.170 789 A CA 1.772 53.290 52.037 -0.866 0.000 0.636 789 A CB -0.964 17.619 19.000 -0.695 0.000 0.810 789 A HN 0.595 nan 8.150 nan 0.000 0.448 790 R N -0.511 119.809 120.500 -0.301 0.000 2.062 790 R HA -0.008 4.331 4.340 -0.002 0.000 0.226 790 R C 1.728 177.923 176.300 -0.175 0.000 1.125 790 R CA 1.445 57.432 56.100 -0.188 0.000 0.966 790 R CB -0.200 30.024 30.300 -0.127 0.000 0.861 790 R HN 0.437 nan 8.270 nan 0.000 0.433 791 I N 1.931 122.370 120.570 -0.218 0.000 2.617 791 I HA -0.182 3.987 4.170 -0.002 0.000 0.256 791 I C 2.384 178.371 176.117 -0.217 0.000 1.167 791 I CA 0.691 61.862 61.300 -0.216 0.000 1.469 791 I CB -0.715 37.092 38.000 -0.322 0.000 1.098 791 I HN 0.309 nan 8.210 nan 0.000 0.436 792 M N 1.350 120.804 119.600 -0.243 0.000 2.202 792 M HA -0.154 4.325 4.480 -0.002 0.000 0.262 792 M C 2.262 178.507 176.300 -0.092 0.000 1.063 792 M CA 2.260 57.469 55.300 -0.151 0.000 1.097 792 M CB -1.615 30.914 32.600 -0.117 0.000 1.382 792 M HN 0.171 nan 8.290 nan 0.000 0.413 793 S N 1.707 117.346 115.700 -0.100 0.000 2.374 793 S HA -0.177 4.292 4.470 -0.002 0.000 0.227 793 S C 1.817 176.392 174.600 -0.040 0.000 1.037 793 S CA 1.695 59.855 58.200 -0.066 0.000 1.024 793 S CB -1.276 61.881 63.200 -0.072 0.000 0.861 793 S HN 0.809 nan 8.310 nan 0.000 0.456 794 I N -1.412 119.135 120.570 -0.039 0.000 3.854 794 I HA 0.373 4.542 4.170 -0.002 0.000 0.312 794 I C 1.585 177.704 176.117 0.003 0.000 1.273 794 I CA 0.052 61.343 61.300 -0.015 0.000 1.298 794 I CB -0.029 37.964 38.000 -0.012 0.000 1.071 794 I HN 0.104 nan 8.210 nan 0.000 0.428 795 V N 0.799 120.711 119.914 -0.003 0.000 3.623 795 V HA 0.087 4.206 4.120 -0.002 0.000 0.271 795 V C 0.123 176.241 176.094 0.040 0.000 1.248 795 V CA 1.014 63.334 62.300 0.034 0.000 1.156 795 V CB -0.837 31.006 31.823 0.033 0.000 0.870 795 V HN 0.486 nan 8.190 nan 0.000 0.453 796 D N -0.122 120.288 120.400 0.017 0.000 2.735 796 D HA 0.218 4.857 4.640 -0.002 0.000 0.291 796 D C -1.596 174.710 176.300 0.010 0.000 1.205 796 D CA -0.995 53.018 54.000 0.022 0.000 0.777 796 D CB 1.146 41.963 40.800 0.027 0.000 1.234 796 D HN 0.131 nan 8.370 nan 0.000 0.520 797 P HA 0.038 nan 4.420 nan 0.000 0.241 797 P C 0.436 177.740 177.300 0.007 0.000 1.191 797 P CA 0.322 63.424 63.100 0.005 0.000 0.771 797 P CB 0.455 32.158 31.700 0.005 0.000 0.929 798 N N 0.655 119.362 118.700 0.012 0.000 2.354 798 N HA -0.057 4.682 4.740 -0.002 0.000 0.179 798 N C 0.700 176.217 175.510 0.011 0.000 1.021 798 N CA 0.345 53.402 53.050 0.012 0.000 0.887 798 N CB -0.475 38.022 38.487 0.016 0.000 0.974 798 N HN 0.018 nan 8.380 nan 0.000 0.437 799 R N -0.798 119.709 120.500 0.012 0.000 3.246 799 R HA -0.201 4.138 4.340 -0.002 0.000 0.260 799 R C -0.059 176.250 176.300 0.015 0.000 1.034 799 R CA 0.322 56.429 56.100 0.011 0.000 0.691 799 R CB -1.432 28.872 30.300 0.007 0.000 1.186 799 R HN 0.256 nan 8.270 nan 0.000 0.416 800 M N -0.774 118.839 119.600 0.022 0.000 2.925 800 M HA 0.286 4.765 4.480 -0.002 0.000 0.249 800 M C 1.392 177.712 176.300 0.032 0.000 1.439 800 M CA 2.398 57.714 55.300 0.027 0.000 1.217 800 M CB 0.532 33.151 32.600 0.032 0.000 1.245 800 M HN 0.545 nan 8.290 nan 0.000 0.552 801 G N 0.591 109.414 108.800 0.038 0.000 2.136 801 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.242 801 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.242 801 G C -0.386 174.548 174.900 0.055 0.000 0.989 801 G CA 0.205 45.332 45.100 0.044 0.000 0.682 801 G HN 0.581 nan 8.290 nan 0.000 0.522 802 V N -0.291 119.663 119.914 0.067 0.000 2.686 802 V HA 0.689 4.808 4.120 -0.002 0.000 0.306 802 V C -0.219 175.945 176.094 0.116 0.000 1.065 802 V CA -0.594 61.756 62.300 0.083 0.000 0.894 802 V CB 2.093 33.959 31.823 0.072 0.000 1.004 802 V HN 0.657 nan 8.190 nan 0.000 0.424 803 V N 4.920 124.932 119.914 0.163 0.000 2.357 803 V HA 0.522 4.641 4.120 -0.002 0.000 0.284 803 V C 0.434 176.719 176.094 0.319 0.000 1.018 803 V CA 0.081 62.520 62.300 0.232 0.000 0.841 803 V CB 1.930 33.927 31.823 0.289 0.000 0.991 803 V HN 1.041 nan 8.190 nan 0.000 0.437 804 T N 6.680 121.387 114.554 0.255 0.000 2.898 804 T HA 0.101 4.450 4.350 -0.002 0.000 0.301 804 T C 0.842 175.715 174.700 0.289 0.000 1.049 804 T CA 0.325 62.567 62.100 0.237 0.000 1.095 804 T CB 0.677 69.607 68.868 0.104 0.000 0.976 804 T HN 0.695 nan 8.240 nan 0.000 0.539 805 F N 1.603 121.512 119.950 -0.068 0.000 2.176 805 F HA -0.307 4.220 4.527 -0.000 0.000 0.301 805 F C 2.283 178.061 175.800 -0.036 0.000 1.071 805 F CA 1.524 59.242 58.000 -0.471 0.000 1.289 805 F CB -0.096 38.478 39.000 -0.710 0.000 1.028 805 F HN 0.527 nan 8.300 nan 0.000 0.494 806 Q N 0.678 120.355 119.800 -0.205 0.000 2.084 806 Q HA -0.114 4.225 4.340 -0.002 0.000 0.202 806 Q C 2.306 178.308 176.000 0.004 0.000 0.978 806 Q CA 1.801 57.521 55.803 -0.138 0.000 0.844 806 Q CB -0.719 28.003 28.738 -0.026 0.000 0.898 806 Q HN 0.503 nan 8.270 nan 0.000 0.426 807 A N -1.010 121.887 122.820 0.129 0.000 2.206 807 A HA -0.018 4.301 4.320 -0.002 0.000 0.211 807 A C 1.361 179.154 177.584 0.348 0.000 1.158 807 A CA 0.309 52.472 52.037 0.210 0.000 0.761 807 A CB -0.473 18.656 19.000 0.215 0.000 0.801 807 A HN 0.408 nan 8.150 nan 0.000 0.473 808 F N -0.034 120.048 119.950 0.220 0.000 2.727 808 F HA 0.152 4.678 4.527 -0.001 0.000 0.302 808 F C 1.477 177.421 175.800 0.239 0.000 1.097 808 F CA 0.243 58.415 58.000 0.287 0.000 1.330 808 F CB 0.313 39.561 39.000 0.414 0.000 1.084 808 F HN 0.323 nan 8.300 nan 0.000 0.578 809 I N -1.720 118.864 120.570 0.022 0.000 2.731 809 I HA 0.044 4.213 4.170 -0.002 0.000 0.260 809 I C 1.898 177.941 176.117 -0.122 0.000 1.138 809 I CA 1.413 62.626 61.300 -0.144 0.000 1.461 809 I CB -1.137 36.712 38.000 -0.251 0.000 1.128 809 I HN 0.048 nan 8.210 nan 0.000 0.438 810 D N 1.350 121.748 120.400 -0.005 0.000 2.219 810 D HA -0.266 4.373 4.640 -0.002 0.000 0.205 810 D C 2.033 178.324 176.300 -0.015 0.000 0.970 810 D CA 1.460 55.453 54.000 -0.012 0.000 0.851 810 D CB -0.938 39.880 40.800 0.030 0.000 0.943 810 D HN 0.570 nan 8.370 nan 0.000 0.488 811 F N 0.201 120.093 119.950 -0.097 0.000 2.365 811 F HA 0.049 4.575 4.527 -0.002 0.000 0.300 811 F C 1.991 177.716 175.800 -0.126 0.000 1.090 811 F CA 0.447 58.406 58.000 -0.068 0.000 1.408 811 F CB -0.342 38.683 39.000 0.041 0.000 1.060 811 F HN -0.112 nan 8.300 nan 0.000 0.534 812 M N 1.146 120.101 119.600 -1.074 0.000 2.064 812 M HA -0.124 4.355 4.480 -0.002 0.000 0.260 812 M C 1.635 177.626 176.300 -0.515 0.000 1.073 812 M CA 1.770 56.481 55.300 -0.981 0.000 1.124 812 M CB -0.681 31.345 32.600 -0.956 0.000 1.326 812 M HN 0.288 nan 8.290 nan 0.000 0.410 813 S N 0.692 116.180 115.700 -0.353 0.000 3.864 813 S HA 0.292 4.761 4.470 -0.002 0.000 0.202 813 S C 0.639 175.146 174.600 -0.156 0.000 1.402 813 S CA -0.266 57.804 58.200 -0.217 0.000 1.072 813 S CB -0.126 62.976 63.200 -0.163 0.000 1.383 813 S HN 0.398 nan 8.310 nan 0.000 0.458 814 R N -0.106 120.295 120.500 -0.164 0.000 3.262 814 R HA 0.096 4.435 4.340 -0.002 0.000 0.076 814 R C 1.338 177.585 176.300 -0.088 0.000 0.789 814 R CA 0.201 56.242 56.100 -0.099 0.000 2.301 814 R CB -0.119 30.141 30.300 -0.066 0.000 1.525 814 R HN 0.409 nan 8.270 nan 0.000 0.473 815 E N 0.453 120.572 120.200 -0.135 0.000 2.112 815 E HA -0.021 4.328 4.350 -0.002 0.000 0.190 815 E C 0.828 177.371 176.600 -0.095 0.000 0.979 815 E CA 1.415 57.760 56.400 -0.091 0.000 0.814 815 E CB 0.156 29.797 29.700 -0.098 0.000 0.762 815 E HN 0.120 nan 8.360 nan 0.000 0.460 816 T N 0.930 115.400 114.554 -0.141 0.000 3.148 816 T HA 0.124 4.473 4.350 -0.002 0.000 0.253 816 T C 0.562 175.202 174.700 -0.100 0.000 1.134 816 T CA 0.225 62.252 62.100 -0.122 0.000 1.051 816 T CB 0.096 68.871 68.868 -0.154 0.000 0.959 816 T HN 0.079 nan 8.240 nan 0.000 0.525 817 A N 1.993 124.760 122.820 -0.089 0.000 2.545 817 A HA 0.405 4.724 4.320 -0.002 0.000 0.297 817 A C 0.495 178.050 177.584 -0.048 0.000 1.340 817 A CA -0.231 51.767 52.037 -0.065 0.000 1.016 817 A CB -0.749 18.217 19.000 -0.056 0.000 1.122 817 A HN 0.416 nan 8.150 nan 0.000 0.537 818 D N 0.035 120.407 120.400 -0.046 0.000 3.082 818 D HA -0.119 4.520 4.640 -0.002 0.000 0.216 818 D C -0.158 176.118 176.300 -0.040 0.000 1.114 818 D CA 1.868 55.846 54.000 -0.037 0.000 0.886 818 D CB -1.259 39.526 40.800 -0.026 0.000 1.096 818 D HN 0.514 nan 8.370 nan 0.000 0.431 819 T N 0.722 115.244 114.554 -0.054 0.000 3.365 819 T HA 0.286 4.634 4.350 -0.002 0.000 0.290 819 T C -0.704 173.950 174.700 -0.077 0.000 0.941 819 T CA -0.402 61.664 62.100 -0.057 0.000 1.522 819 T CB 0.528 69.368 68.868 -0.047 0.000 0.865 819 T HN 0.293 nan 8.240 nan 0.000 0.572 820 D N -0.029 120.316 120.400 -0.092 0.000 2.855 820 D HA 0.395 5.034 4.640 -0.002 0.000 0.231 820 D C 0.218 176.409 176.300 -0.182 0.000 1.225 820 D CA -0.429 53.492 54.000 -0.133 0.000 1.074 820 D CB 0.672 41.396 40.800 -0.128 0.000 1.235 820 D HN 0.082 nan 8.370 nan 0.000 0.635 821 T N -1.242 113.131 114.554 -0.303 0.000 3.087 821 T HA 0.468 4.817 4.350 -0.002 0.000 0.283 821 T C 0.971 175.413 174.700 -0.430 0.000 0.956 821 T CA 0.366 62.193 62.100 -0.454 0.000 0.894 821 T CB 0.810 69.203 68.868 -0.791 0.000 1.160 821 T HN 0.520 nan 8.240 nan 0.000 0.532 822 A N 1.979 124.658 122.820 -0.235 0.000 1.941 822 A HA 0.174 4.493 4.320 -0.002 0.000 0.214 822 A C 1.817 179.422 177.584 0.035 0.000 1.368 822 A CA 0.519 52.549 52.037 -0.011 0.000 0.651 822 A CB -0.309 18.718 19.000 0.045 0.000 1.064 822 A HN 0.205 nan 8.150 nan 0.000 0.492 823 D N -0.708 119.699 120.400 0.012 0.000 2.224 823 D HA -0.098 4.541 4.640 -0.002 0.000 0.205 823 D C 1.962 178.277 176.300 0.024 0.000 0.965 823 D CA 1.341 55.360 54.000 0.033 0.000 0.852 823 D CB -0.129 40.683 40.800 0.020 0.000 0.947 823 D HN 0.453 nan 8.370 nan 0.000 0.494 824 Q N 1.046 120.839 119.800 -0.012 0.000 2.103 824 Q HA -0.193 4.146 4.340 -0.002 0.000 0.213 824 Q C 2.030 178.034 176.000 0.007 0.000 1.008 824 Q CA 1.776 57.566 55.803 -0.021 0.000 0.879 824 Q CB -0.522 28.177 28.738 -0.064 0.000 0.946 824 Q HN 0.096 nan 8.270 nan 0.000 0.413 825 V N -0.084 119.854 119.914 0.040 0.000 2.427 825 V HA -0.245 3.874 4.120 -0.002 0.000 0.248 825 V C 2.308 178.515 176.094 0.188 0.000 1.051 825 V CA 1.717 64.082 62.300 0.109 0.000 1.048 825 V CB -0.493 31.436 31.823 0.176 0.000 0.666 825 V HN 0.489 nan 8.190 nan 0.000 0.456 826 M N -0.254 119.464 119.600 0.196 0.000 2.106 826 M HA -0.245 4.234 4.480 -0.002 0.000 0.259 826 M C 2.407 178.781 176.300 0.124 0.000 1.068 826 M CA 2.384 57.828 55.300 0.240 0.000 1.100 826 M CB -1.262 31.461 32.600 0.206 0.000 1.351 826 M HN 0.435 nan 8.290 nan 0.000 0.404 827 A N -0.612 122.243 122.820 0.058 0.000 1.908 827 A HA -0.145 4.174 4.320 -0.002 0.000 0.218 827 A C 2.425 179.977 177.584 -0.052 0.000 1.181 827 A CA 2.311 54.349 52.037 0.002 0.000 0.627 827 A CB -0.777 18.220 19.000 -0.005 0.000 0.818 827 A HN 0.520 nan 8.150 nan 0.000 0.445 828 S N -1.357 114.306 115.700 -0.060 0.000 2.414 828 S HA 0.021 4.490 4.470 -0.002 0.000 0.227 828 S C 1.554 176.018 174.600 -0.227 0.000 1.022 828 S CA 0.933 59.050 58.200 -0.138 0.000 0.958 828 S CB -0.419 62.688 63.200 -0.156 0.000 0.797 828 S HN 0.515 nan 8.310 nan 0.000 0.493 829 F N 2.063 121.885 119.950 -0.212 0.000 2.163 829 F HA 0.040 4.566 4.527 -0.002 0.000 0.297 829 F C 2.145 177.546 175.800 -0.665 0.000 1.094 829 F CA 0.864 58.635 58.000 -0.380 0.000 1.290 829 F CB -0.370 38.405 39.000 -0.375 0.000 1.017 829 F HN 0.033 nan 8.300 nan 0.000 0.483 830 K N 0.430 120.468 120.400 -0.603 0.000 2.127 830 K HA -0.258 4.061 4.320 -0.002 0.000 0.212 830 K C 1.901 178.364 176.600 -0.229 0.000 1.050 830 K CA 2.094 58.096 56.287 -0.475 0.000 0.929 830 K CB -0.597 31.802 32.500 -0.167 0.000 0.715 830 K HN 0.291 nan 8.250 nan 0.000 0.457 831 I N 0.620 121.092 120.570 -0.163 0.000 2.335 831 I HA -0.296 3.873 4.170 -0.002 0.000 0.251 831 I C 1.821 177.884 176.117 -0.090 0.000 1.129 831 I CA 0.982 62.218 61.300 -0.106 0.000 1.402 831 I CB -0.322 37.621 38.000 -0.095 0.000 1.069 831 I HN 0.079 nan 8.210 nan 0.000 0.424 832 L N 0.753 121.923 121.223 -0.089 0.000 2.141 832 L HA -0.079 4.260 4.340 -0.002 0.000 0.209 832 L C 2.563 179.407 176.870 -0.044 0.000 1.094 832 L CA 1.656 56.475 54.840 -0.035 0.000 0.763 832 L CB -0.903 41.180 42.059 0.040 0.000 0.908 832 L HN 0.180 nan 8.230 nan 0.000 0.437 833 A N -0.527 122.241 122.820 -0.088 0.000 2.209 833 A HA 0.312 4.631 4.320 -0.002 0.000 0.212 833 A C 1.688 179.178 177.584 -0.156 0.000 1.158 833 A CA 0.712 52.656 52.037 -0.155 0.000 0.742 833 A CB -0.883 18.042 19.000 -0.126 0.000 0.790 833 A HN 0.500 nan 8.150 nan 0.000 0.472 834 G N -0.116 108.629 108.800 -0.092 0.000 2.256 834 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.272 834 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.272 834 G C -0.149 174.717 174.900 -0.057 0.000 1.076 834 G CA 0.237 45.299 45.100 -0.064 0.000 0.882 834 G HN 0.678 nan 8.290 nan 0.000 0.497 835 D N -1.680 118.686 120.400 -0.058 0.000 2.746 835 D HA -0.147 4.492 4.640 -0.002 0.000 0.236 835 D C 1.130 177.425 176.300 -0.009 0.000 1.129 835 D CA 2.028 56.008 54.000 -0.033 0.000 0.691 835 D CB -0.704 40.084 40.800 -0.021 0.000 1.077 835 D HN 0.825 nan 8.370 nan 0.000 0.432 836 K N -0.392 119.996 120.400 -0.020 0.000 2.367 836 K HA 0.422 4.741 4.320 -0.002 0.000 0.260 836 K C 1.233 177.903 176.600 0.117 0.000 0.980 836 K CA -0.462 55.825 56.287 0.001 0.000 1.412 836 K CB 0.375 32.799 32.500 -0.127 0.000 2.934 836 K HN -0.134 nan 8.250 nan 0.000 0.985 837 N N -1.177 117.585 118.700 0.102 0.000 2.445 837 N HA 0.078 4.817 4.740 -0.002 0.000 0.204 837 N C -0.347 175.214 175.510 0.084 0.000 1.098 837 N CA -0.126 53.004 53.050 0.132 0.000 0.859 837 N CB 0.433 38.986 38.487 0.110 0.000 1.249 837 N HN 0.328 nan 8.380 nan 0.000 0.462 838 Y N 0.042 120.422 120.300 0.133 0.000 2.518 838 Y HA 0.717 5.266 4.550 -0.002 0.000 0.332 838 Y C -0.525 175.516 175.900 0.234 0.000 1.276 838 Y CA -1.275 56.886 58.100 0.100 0.000 1.418 838 Y CB 0.786 39.294 38.460 0.079 0.000 1.527 838 Y HN -0.239 nan 8.280 nan 0.000 0.549 839 I N 0.825 121.624 120.570 0.382 0.000 2.680 839 I HA 0.279 4.448 4.170 -0.002 0.000 0.291 839 I C -1.254 175.025 176.117 0.271 0.000 1.244 839 I CA -0.509 60.957 61.300 0.276 0.000 1.042 839 I CB 2.079 40.247 38.000 0.279 0.000 1.277 839 I HN 0.906 nan 8.210 nan 0.000 0.423 840 T N 5.548 120.239 114.554 0.228 0.000 2.910 840 T HA 0.206 4.555 4.350 -0.002 0.000 0.293 840 T C 1.347 176.104 174.700 0.096 0.000 1.015 840 T CA -0.690 61.502 62.100 0.153 0.000 1.094 840 T CB 1.966 70.913 68.868 0.132 0.000 0.968 840 T HN 0.390 nan 8.240 nan 0.000 0.521 841 V N 1.655 121.604 119.914 0.058 0.000 2.220 841 V HA -0.155 3.963 4.120 -0.002 0.000 0.246 841 V C 1.519 177.639 176.094 0.043 0.000 1.049 841 V CA 1.802 64.127 62.300 0.042 0.000 1.003 841 V CB -0.603 31.232 31.823 0.021 0.000 0.634 841 V HN 0.867 nan 8.190 nan 0.000 0.444 842 D N -0.788 119.634 120.400 0.035 0.000 2.490 842 D HA 0.060 4.699 4.640 -0.002 0.000 0.255 842 D C 1.298 177.622 176.300 0.040 0.000 1.248 842 D CA 0.517 54.536 54.000 0.033 0.000 0.887 842 D CB 0.103 40.916 40.800 0.023 0.000 0.978 842 D HN 0.598 nan 8.370 nan 0.000 0.491 843 E N -1.097 119.135 120.200 0.054 0.000 3.001 843 E HA 0.040 4.389 4.350 -0.002 0.000 0.211 843 E C 1.546 178.192 176.600 0.076 0.000 1.026 843 E CA -0.124 56.312 56.400 0.060 0.000 1.614 843 E CB 0.090 29.832 29.700 0.069 0.000 1.672 843 E HN 0.172 nan 8.360 nan 0.000 0.869 844 L N 0.375 121.656 121.223 0.097 0.000 2.072 844 L HA 0.185 4.524 4.340 -0.002 0.000 0.205 844 L C 1.810 178.743 176.870 0.104 0.000 1.079 844 L CA 1.560 56.478 54.840 0.130 0.000 0.752 844 L CB -0.235 41.912 42.059 0.147 0.000 0.906 844 L HN -0.097 nan 8.230 nan 0.000 0.436 845 R N -0.435 120.108 120.500 0.072 0.000 2.541 845 R HA 0.075 4.414 4.340 -0.002 0.000 0.245 845 R C 0.884 177.211 176.300 0.046 0.000 1.154 845 R CA 0.021 56.154 56.100 0.055 0.000 1.179 845 R CB -0.015 30.309 30.300 0.040 0.000 1.189 845 R HN 0.336 nan 8.270 nan 0.000 0.526 846 R N -0.866 119.664 120.500 0.049 0.000 2.302 846 R HA 0.151 4.490 4.340 -0.002 0.000 0.187 846 R C 1.630 177.950 176.300 0.035 0.000 0.904 846 R CA 0.324 56.446 56.100 0.037 0.000 1.105 846 R CB 0.081 30.401 30.300 0.033 0.000 1.239 846 R HN 0.053 nan 8.270 nan 0.000 0.620 847 E N 0.579 120.805 120.200 0.042 0.000 2.046 847 E HA 0.030 4.379 4.350 -0.002 0.000 0.190 847 E C 0.228 176.850 176.600 0.036 0.000 0.982 847 E CA 0.637 57.055 56.400 0.030 0.000 0.800 847 E CB 0.004 29.717 29.700 0.022 0.000 0.756 847 E HN 0.191 nan 8.360 nan 0.000 0.449 848 L N 3.329 124.590 121.223 0.064 0.000 2.371 848 L HA 0.188 4.527 4.340 -0.002 0.000 0.272 848 L C -1.835 175.071 176.870 0.059 0.000 1.124 848 L CA -1.833 53.052 54.840 0.075 0.000 0.816 848 L CB 0.245 42.379 42.059 0.126 0.000 1.129 848 L HN -0.033 nan 8.230 nan 0.000 0.448 849 P HA 0.105 nan 4.420 nan 0.000 0.273 849 P C -2.260 175.069 177.300 0.048 0.000 1.250 849 P CA -1.342 61.783 63.100 0.043 0.000 0.793 849 P CB -0.057 31.666 31.700 0.038 0.000 1.011 850 P HA -0.103 nan 4.420 nan 0.000 0.230 850 P C 0.363 177.686 177.300 0.038 0.000 1.158 850 P CA 1.087 64.207 63.100 0.034 0.000 0.769 850 P CB 0.138 31.851 31.700 0.022 0.000 0.807 851 D N -0.158 120.265 120.400 0.039 0.000 2.113 851 D HA -0.108 4.531 4.640 -0.002 0.000 0.206 851 D C 2.173 178.522 176.300 0.083 0.000 0.979 851 D CA 1.188 55.203 54.000 0.026 0.000 0.862 851 D CB -0.681 40.128 40.800 0.015 0.000 1.013 851 D HN -0.033 nan 8.370 nan 0.000 0.455 852 Q N 0.771 120.647 119.800 0.127 0.000 2.020 852 Q HA 0.005 4.344 4.340 -0.002 0.000 0.202 852 Q C 2.063 178.146 176.000 0.139 0.000 0.982 852 Q CA 1.648 57.570 55.803 0.198 0.000 0.838 852 Q CB -0.839 28.040 28.738 0.235 0.000 0.899 852 Q HN 0.255 nan 8.270 nan 0.000 0.423 853 A N 1.308 124.193 122.820 0.108 0.000 1.863 853 A HA -0.306 4.013 4.320 -0.002 0.000 0.218 853 A C 1.998 179.611 177.584 0.048 0.000 1.233 853 A CA 2.109 54.191 52.037 0.075 0.000 0.655 853 A CB -0.766 18.273 19.000 0.066 0.000 0.839 853 A HN 0.362 nan 8.150 nan 0.000 0.454 854 E N -1.656 118.580 120.200 0.060 0.000 2.106 854 E HA -0.171 4.178 4.350 -0.002 0.000 0.192 854 E C 1.919 178.564 176.600 0.075 0.000 0.984 854 E CA 1.290 57.721 56.400 0.052 0.000 0.806 854 E CB -0.501 29.228 29.700 0.049 0.000 0.750 854 E HN 0.859 nan 8.360 nan 0.000 0.458 855 Y N 1.062 121.322 120.300 -0.065 0.000 2.224 855 Y HA -0.279 4.270 4.550 -0.002 0.000 0.289 855 Y C 2.526 178.310 175.900 -0.193 0.000 1.146 855 Y CA 1.164 59.204 58.100 -0.101 0.000 1.182 855 Y CB -0.086 38.325 38.460 -0.081 0.000 0.983 855 Y HN 0.018 nan 8.280 nan 0.000 0.524 856 C N 0.693 119.844 119.300 -0.249 0.000 2.403 856 C HA -0.243 4.216 4.460 -0.002 0.000 0.277 856 C C 2.558 177.356 174.990 -0.320 0.000 1.248 856 C CA 1.382 60.121 59.018 -0.465 0.000 1.762 856 C CB -1.360 26.194 27.740 -0.309 0.000 2.014 856 C HN 0.615 nan 8.230 nan 0.000 0.486 857 I N 1.142 121.611 120.570 -0.167 0.000 2.454 857 I HA -0.178 3.991 4.170 -0.002 0.000 0.254 857 I C 2.584 178.628 176.117 -0.122 0.000 1.156 857 I CA 1.537 62.771 61.300 -0.109 0.000 1.433 857 I CB -0.479 37.492 38.000 -0.049 0.000 1.082 857 I HN 0.313 nan 8.210 nan 0.000 0.432 858 A N 0.248 122.973 122.820 -0.158 0.000 1.943 858 A HA -0.002 4.317 4.320 -0.002 0.000 0.213 858 A C 2.410 179.840 177.584 -0.257 0.000 1.181 858 A CA 0.472 52.414 52.037 -0.158 0.000 0.653 858 A CB -0.186 18.756 19.000 -0.098 0.000 0.833 858 A HN 0.128 nan 8.150 nan 0.000 0.451 859 R N -0.301 119.919 120.500 -0.465 0.000 2.090 859 R HA 0.088 4.427 4.340 -0.002 0.000 0.228 859 R C 0.874 176.972 176.300 -0.337 0.000 1.110 859 R CA 0.781 56.547 56.100 -0.557 0.000 0.973 859 R CB -0.457 29.197 30.300 -1.077 0.000 0.869 859 R HN 0.580 nan 8.270 nan 0.000 0.440 860 M N -0.701 118.709 119.600 -0.317 0.000 2.114 860 M HA 0.377 4.856 4.480 -0.002 0.000 0.280 860 M C 0.363 176.599 176.300 -0.107 0.000 1.209 860 M CA -0.428 54.773 55.300 -0.165 0.000 1.044 860 M CB 0.675 33.180 32.600 -0.157 0.000 1.404 860 M HN -0.114 nan 8.290 nan 0.000 0.499 861 A N 0.497 123.273 122.820 -0.072 0.000 2.346 861 A HA 0.912 5.231 4.320 -0.002 0.000 0.313 861 A C -2.617 174.940 177.584 -0.044 0.000 1.140 861 A CA -1.670 50.331 52.037 -0.061 0.000 0.826 861 A CB 0.676 19.639 19.000 -0.061 0.000 1.332 861 A HN 0.513 nan 8.150 nan 0.000 0.457 862 P HA 0.158 nan 4.420 nan 0.000 0.277 862 P C -0.395 176.885 177.300 -0.033 0.000 1.271 862 P CA -0.081 63.017 63.100 -0.003 0.000 0.795 862 P CB 0.149 31.816 31.700 -0.054 0.000 1.101 863 Y N -2.320 117.949 120.300 -0.053 0.000 2.488 863 Y HA 0.158 4.706 4.550 -0.002 0.000 0.319 863 Y C 0.503 176.373 175.900 -0.050 0.000 1.212 863 Y CA -0.824 57.247 58.100 -0.048 0.000 1.273 863 Y CB -1.756 36.655 38.460 -0.083 0.000 1.074 863 Y HN 0.158 nan 8.280 nan 0.000 0.503 864 N N 2.101 120.552 118.700 -0.416 0.000 2.291 864 N HA 0.130 4.869 4.740 -0.002 0.000 0.281 864 N C 0.393 175.754 175.510 -0.248 0.000 1.388 864 N CA 1.000 53.770 53.050 -0.467 0.000 0.920 864 N CB 0.146 38.460 38.487 -0.288 0.000 1.276 864 N HN 0.793 nan 8.380 nan 0.000 0.493 865 G N 1.874 110.534 108.800 -0.232 0.000 2.677 865 G HA2 0.189 4.148 3.960 -0.002 0.000 0.283 865 G HA3 0.189 4.148 3.960 -0.002 0.000 0.283 865 G C 0.231 175.127 174.900 -0.006 0.000 1.221 865 G CA -0.477 44.588 45.100 -0.058 0.000 0.851 865 G HN 0.434 nan 8.290 nan 0.000 0.504 866 R N 0.020 120.548 120.500 0.046 0.000 2.175 866 R HA 0.242 4.580 4.340 -0.002 0.000 0.202 866 R C 0.135 176.493 176.300 0.097 0.000 1.018 866 R CA 0.954 57.088 56.100 0.056 0.000 1.029 866 R CB -0.123 30.195 30.300 0.029 0.000 0.959 866 R HN 0.363 nan 8.270 nan 0.000 0.480 867 D N 2.064 122.520 120.400 0.094 0.000 3.008 867 D HA 0.175 4.814 4.640 -0.002 0.000 0.242 867 D C -0.580 175.678 176.300 -0.070 0.000 1.222 867 D CA 0.025 54.041 54.000 0.027 0.000 0.883 867 D CB 0.238 41.059 40.800 0.035 0.000 1.110 867 D HN 0.319 nan 8.370 nan 0.000 0.455 868 A N 1.092 123.875 122.820 -0.062 0.000 2.515 868 A HA 0.341 4.660 4.320 -0.002 0.000 0.263 868 A C 0.709 178.071 177.584 -0.371 0.000 1.096 868 A CA -0.556 51.297 52.037 -0.308 0.000 0.769 868 A CB -0.042 18.903 19.000 -0.091 0.000 1.040 868 A HN 0.320 nan 8.150 nan 0.000 0.505 869 V N 1.140 120.712 119.914 -0.571 0.000 2.997 869 V HA 0.671 4.790 4.120 -0.002 0.000 0.311 869 V C -2.034 173.850 176.094 -0.349 0.000 1.066 869 V CA -1.944 60.122 62.300 -0.391 0.000 1.039 869 V CB 1.095 32.688 31.823 -0.384 0.000 1.081 869 V HN 0.728 nan 8.190 nan 0.000 0.467 870 P HA 0.370 nan 4.420 nan 0.000 0.230 870 P C 0.379 177.604 177.300 -0.125 0.000 1.791 870 P CA 0.681 63.696 63.100 -0.143 0.000 1.020 870 P CB -0.060 31.590 31.700 -0.082 0.000 1.977 871 G N 0.405 109.098 108.800 -0.178 0.000 2.587 871 G HA2 0.209 4.168 3.960 -0.002 0.000 0.216 871 G HA3 0.209 4.168 3.960 -0.002 0.000 0.216 871 G C -0.289 174.559 174.900 -0.087 0.000 1.124 871 G CA -0.308 44.733 45.100 -0.098 0.000 0.858 871 G HN 0.659 nan 8.290 nan 0.000 0.523 872 A N 0.260 122.967 122.820 -0.188 0.000 2.305 872 A HA 0.951 5.270 4.320 -0.002 0.000 0.322 872 A C 0.025 177.668 177.584 0.100 0.000 1.187 872 A CA -0.362 51.635 52.037 -0.067 0.000 0.825 872 A CB 1.149 19.961 19.000 -0.312 0.000 1.164 872 A HN 0.736 nan 8.150 nan 0.000 0.498 873 L N 0.797 122.097 121.223 0.129 0.000 2.347 873 L HA 0.565 4.904 4.340 -0.002 0.000 0.268 873 L C 0.081 177.017 176.870 0.109 0.000 1.019 873 L CA -0.380 54.525 54.840 0.108 0.000 0.806 873 L CB 1.198 43.273 42.059 0.027 0.000 1.339 873 L HN 0.800 nan 8.230 nan 0.000 0.463 874 D N -2.160 118.244 120.400 0.007 0.000 2.185 874 D HA 0.253 4.891 4.640 -0.002 0.000 0.247 874 D C 0.004 176.205 176.300 -0.166 0.000 1.027 874 D CA -0.298 53.629 54.000 -0.123 0.000 0.861 874 D CB 1.125 41.840 40.800 -0.141 0.000 1.202 874 D HN 0.445 nan 8.370 nan 0.000 0.453 875 Y N 2.079 122.320 120.300 -0.099 0.000 2.509 875 Y HA 0.214 4.763 4.550 -0.002 0.000 0.270 875 Y C 1.994 177.804 175.900 -0.151 0.000 1.103 875 Y CA -0.092 57.842 58.100 -0.278 0.000 1.278 875 Y CB -0.647 37.570 38.460 -0.406 0.000 1.087 875 Y HN 0.392 nan 8.280 nan 0.000 0.542 876 M N 0.690 120.096 119.600 -0.323 0.000 2.067 876 M HA -0.203 4.276 4.480 -0.002 0.000 0.260 876 M C 2.110 178.387 176.300 -0.039 0.000 1.069 876 M CA 2.131 57.367 55.300 -0.107 0.000 1.117 876 M CB -0.238 32.249 32.600 -0.188 0.000 1.334 876 M HN 0.341 nan 8.290 nan 0.000 0.407 877 S N 0.594 116.252 115.700 -0.070 0.000 2.381 877 S HA -0.218 4.251 4.470 -0.002 0.000 0.230 877 S C 1.544 176.178 174.600 0.056 0.000 1.052 877 S CA 1.882 60.069 58.200 -0.021 0.000 1.068 877 S CB -0.756 62.419 63.200 -0.042 0.000 0.918 877 S HN 0.589 nan 8.310 nan 0.000 0.448 878 F N 1.921 121.799 119.950 -0.121 0.000 2.084 878 F HA -0.050 4.476 4.527 -0.002 0.000 0.296 878 F C 2.743 178.520 175.800 -0.040 0.000 1.111 878 F CA 1.386 59.320 58.000 -0.109 0.000 1.224 878 F CB -1.334 37.569 39.000 -0.161 0.000 0.991 878 F HN 0.192 nan 8.300 nan 0.000 0.471 879 S N -0.520 115.108 115.700 -0.121 0.000 2.359 879 S HA -0.238 4.231 4.470 -0.002 0.000 0.223 879 S C 2.083 176.672 174.600 -0.020 0.000 1.039 879 S CA 2.422 60.578 58.200 -0.074 0.000 1.042 879 S CB -0.776 62.487 63.200 0.105 0.000 0.915 879 S HN 0.575 nan 8.310 nan 0.000 0.439 880 T N 2.016 116.575 114.554 0.009 0.000 2.635 880 T HA -0.084 4.265 4.350 -0.002 0.000 0.267 880 T C 1.907 176.595 174.700 -0.020 0.000 1.040 880 T CA 1.554 63.660 62.100 0.009 0.000 1.156 880 T CB -0.723 68.147 68.868 0.004 0.000 0.863 880 T HN 0.536 nan 8.240 nan 0.000 0.430 881 A N 0.373 123.178 122.820 -0.024 0.000 2.235 881 A HA 0.321 4.639 4.320 -0.002 0.000 0.208 881 A C 2.061 179.601 177.584 -0.074 0.000 1.172 881 A CA 0.667 52.692 52.037 -0.021 0.000 0.786 881 A CB -0.478 18.539 19.000 0.028 0.000 0.804 881 A HN 0.570 nan 8.150 nan 0.000 0.479 882 L N -5.096 115.998 121.223 -0.214 0.000 2.653 882 L HA 0.462 4.801 4.340 -0.002 0.000 0.230 882 L C 0.029 176.485 176.870 -0.690 0.000 1.055 882 L CA 0.298 54.888 54.840 -0.416 0.000 0.880 882 L CB 0.160 41.870 42.059 -0.582 0.000 1.195 882 L HN 0.065 nan 8.230 nan 0.000 0.492 883 Y N 2.039 122.297 120.300 -0.069 0.000 2.888 883 Y HA 0.764 5.313 4.550 -0.002 0.000 0.341 883 Y C 0.480 176.365 175.900 -0.025 0.000 1.241 883 Y CA -0.900 57.176 58.100 -0.039 0.000 1.440 883 Y CB 0.842 39.278 38.460 -0.041 0.000 1.517 883 Y HN 0.219 nan 8.280 nan 0.000 0.518 884 G N 1.644 110.448 108.800 0.007 0.000 2.880 884 G HA2 0.188 4.147 3.960 -0.002 0.000 0.303 884 G HA3 0.188 4.147 3.960 -0.002 0.000 0.303 884 G C -0.935 173.964 174.900 -0.003 0.000 2.853 884 G CA -0.875 44.232 45.100 0.012 0.000 0.748 884 G HN 0.289 nan 8.290 nan 0.000 0.349 885 E N 0.711 120.918 120.200 0.010 0.000 2.349 885 E HA 0.374 4.723 4.350 -0.002 0.000 0.262 885 E C 0.411 177.014 176.600 0.006 0.000 1.088 885 E CA -0.590 55.814 56.400 0.008 0.000 0.899 885 E CB 1.806 31.517 29.700 0.018 0.000 1.044 885 E HN 0.227 nan 8.360 nan 0.000 0.420 886 S N 1.697 117.400 115.700 0.005 0.000 2.815 886 S HA 0.031 4.500 4.470 -0.002 0.000 0.254 886 S C -0.948 173.654 174.600 0.003 0.000 1.197 886 S CA -0.058 58.144 58.200 0.002 0.000 1.216 886 S CB -0.556 62.645 63.200 0.002 0.000 0.871 886 S HN 0.478 nan 8.310 nan 0.000 0.473 887 D N 0.448 120.851 120.400 0.004 0.000 2.104 887 D HA 0.316 4.954 4.640 -0.002 0.000 0.144 887 D C -1.297 175.006 176.300 0.006 0.000 1.137 887 D CA -0.343 53.660 54.000 0.005 0.000 1.014 887 D CB 0.020 40.825 40.800 0.008 0.000 2.540 887 D HN 0.322 nan 8.370 nan 0.000 0.548 888 L N 0.000 121.223 121.223 0.001 0.000 2.949 888 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 888 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 888 L CB 0.000 42.061 42.059 0.003 0.000 0.961 888 L HN 0.000 nan 8.230 nan 0.000 0.502