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 3e50_1_B DATA FIRST_RESID 45 DATA SEQUENCE PAIKRIGNHI TKSPEDKREY RGLELANGIK VLLISDPTTD KSSAALDVHI DATA SEQUENCE GSLSDPPNIA GLSHFCQHML FLGTKKYPKE NEYSQFLSEH AGSSNAFTSG DATA SEQUENCE EHTNYYFDVS HEHLEGALDR FAQFFLCPLF DESCKDREVN AVDSEHEKNV DATA SEQUENCE MNDAWRLFQL EKATGNPKHP FSKFGTGNKY TLETRPNQEG IDVRQELLKF DATA SEQUENCE HSAYYSSNLM AVCVLGRESL DDLTNLVVKL FSEVENKNVP LPEFPEHPXQ DATA SEQUENCE EEHLKQLYKI VPIKDIRNLY VTFPIPDLQK YYKSNPGHYL GHLIGHEGPG DATA SEQUENCE SLLSELKSKG WVNTLVGGQK EGARGFMFFI INVDLTEEGL LHVEDIILHM DATA SEQUENCE FQYIQKLRAE GPQEWVFQEC KDLNAVAFRF KDKERPRGYT SKIAGILHYY DATA SEQUENCE PLEEVLTAEY LLEEFRPDLI EMVLDKLRPE NVRVAIVSKS FEGKTDRTEE DATA SEQUENCE WYGTQYKQEA IPDEVIKKWQ NADLNGKFKL PTKNEFIPTN FEILPLEKEA DATA SEQUENCE TPYPALIKDT AMSKLWFKQD DKFFLPKACL NFEFFSPFAY VDPLHCNMAX DATA SEQUENCE LYLELLKDSL NEYAYAAELA GLSYDLQNTI YGMYLSVKGY NDKQPILLKK DATA SEQUENCE IIEKMATFEI DEKRFEIIKE AYMRSLNNFR AEQPHQHAMY YLRLLMTEVA DATA SEQUENCE WTKDELKEAL DDVTLPRLKA FIPQLLSRLH IEALLHGNIT KQAALGIMQM DATA SEQUENCE VEDTLIEHAH TKPLLPSQLV RYREVQLPDR GWFVYQQRNE VHNNCGIEIY DATA SEQUENCE YQTDMQSTSE NMFLELFCQI ISEPCFNTLR TKEQLGYIVF SGPRRANGXQ DATA SEQUENCE GLRFIIQSEK PPHYLESRVE AFLITMEKSI EDMTEEAFQK HIQALAIRRL DATA SEQUENCE DKPKKLSAEC AKYWGEIISQ QYNFDRDNTE VAYLKTLTKE DIIKFYKEML DATA SEQUENCE AVDAPRRHKV SVHVLAREMX SCPVVGXXXX XXXXNLSQAP ALPQPEVIQN DATA SEQUENCE MTEFKRGLPL FPLVKPH 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 45 P HA 0.000 nan 4.420 nan 0.000 0.216 45 P C 0.000 177.309 177.300 0.016 0.000 1.155 45 P CA 0.000 63.109 63.100 0.014 0.000 0.800 45 P CB 0.000 31.710 31.700 0.017 0.000 0.726 46 A N 0.035 122.867 122.820 0.020 0.000 2.684 46 A HA 0.584 4.904 4.320 0.001 0.000 0.288 46 A C 0.076 177.675 177.584 0.025 0.000 1.337 46 A CA 0.017 52.068 52.037 0.023 0.000 0.946 46 A CB -0.960 18.058 19.000 0.030 0.000 1.093 46 A HN 0.264 nan 8.150 nan 0.000 0.543 47 I N -0.148 120.434 120.570 0.019 0.000 2.439 47 I HA 0.194 4.365 4.170 0.001 0.000 0.283 47 I C 1.058 177.183 176.117 0.012 0.000 1.023 47 I CA -0.433 60.877 61.300 0.017 0.000 1.100 47 I CB 1.968 39.978 38.000 0.016 0.000 1.238 47 I HN 0.304 nan 8.210 nan 0.000 0.445 48 K N 5.704 126.110 120.400 0.010 0.000 2.062 48 K HA 0.084 4.405 4.320 0.001 0.000 0.205 48 K C 0.747 177.351 176.600 0.007 0.000 1.051 48 K CA 1.139 57.431 56.287 0.008 0.000 0.941 48 K CB 0.457 32.960 32.500 0.006 0.000 0.719 48 K HN 0.540 nan 8.250 nan 0.000 0.440 49 R N 0.412 120.915 120.500 0.006 0.000 2.584 49 R HA 0.351 4.691 4.340 0.001 0.000 0.276 49 R C -1.486 174.817 176.300 0.006 0.000 1.046 49 R CA -0.540 55.564 56.100 0.007 0.000 0.906 49 R CB 1.325 31.630 30.300 0.008 0.000 1.215 49 R HN 0.026 nan 8.270 nan 0.000 0.449 50 I N 2.621 123.195 120.570 0.007 0.000 2.359 50 I HA 0.335 4.505 4.170 0.001 0.000 0.294 50 I C 0.761 176.881 176.117 0.005 0.000 0.987 50 I CA -0.776 60.525 61.300 0.003 0.000 1.225 50 I CB 1.934 39.933 38.000 -0.002 0.000 1.366 50 I HN 0.736 nan 8.210 nan 0.000 0.466 51 G N 4.714 113.516 108.800 0.004 0.000 2.333 51 G HA2 0.204 4.164 3.960 0.001 0.000 0.290 51 G HA3 0.204 4.164 3.960 0.001 0.000 0.290 51 G C -0.107 174.795 174.900 0.003 0.000 1.150 51 G CA -0.433 44.675 45.100 0.014 0.000 0.895 51 G HN 0.797 nan 8.290 nan 0.000 0.444 52 N N 2.151 120.875 118.700 0.040 0.000 2.098 52 N HA -0.134 4.606 4.740 0.001 0.000 0.268 52 N C -0.049 175.486 175.510 0.041 0.000 1.238 52 N CA 0.271 53.382 53.050 0.101 0.000 0.822 52 N CB 0.080 38.735 38.487 0.279 0.000 1.063 52 N HN 0.654 nan 8.380 nan 0.000 0.471 53 H N 0.458 119.547 119.070 0.032 0.000 1.766 53 H HA -0.183 4.374 4.556 0.001 0.000 0.300 53 H C -0.141 175.202 175.328 0.025 0.000 0.752 53 H CA 0.175 56.243 56.048 0.033 0.000 1.011 53 H CB -0.941 28.836 29.762 0.025 0.000 1.462 53 H HN 0.351 nan 8.280 nan 0.000 0.242 54 I N 3.878 124.502 120.570 0.090 0.000 2.363 54 I HA -0.015 4.155 4.170 0.001 0.000 0.292 54 I C 1.185 177.306 176.117 0.007 0.000 1.075 54 I CA -0.025 61.293 61.300 0.029 0.000 1.333 54 I CB 0.366 38.368 38.000 0.004 0.000 1.415 54 I HN 0.329 nan 8.210 nan 0.000 0.502 55 T N 8.270 122.827 114.554 0.005 0.000 2.793 55 T HA 0.122 4.472 4.350 0.001 0.000 0.289 55 T C 0.562 175.277 174.700 0.025 0.000 0.956 55 T CA -0.050 62.062 62.100 0.021 0.000 1.177 55 T CB 0.031 68.903 68.868 0.006 0.000 0.897 55 T HN 0.631 nan 8.240 nan 0.000 0.533 56 K N 1.119 121.550 120.400 0.052 0.000 2.352 56 K HA 0.694 5.015 4.320 0.001 0.000 0.240 56 K C 0.005 176.627 176.600 0.037 0.000 1.017 56 K CA -0.993 55.317 56.287 0.038 0.000 0.851 56 K CB 1.334 33.795 32.500 -0.065 0.000 1.261 56 K HN 0.331 nan 8.250 nan 0.000 0.451 57 S N 0.583 116.093 115.700 -0.317 0.000 2.562 57 S HA 0.110 4.580 4.470 0.001 0.000 0.281 57 S C -1.592 172.846 174.600 -0.270 0.000 1.333 57 S CA -1.057 56.780 58.200 -0.605 0.000 1.052 57 S CB 0.340 62.933 63.200 -1.012 0.000 0.884 57 S HN 0.532 nan 8.310 nan 0.000 0.506 58 P HA -0.106 nan 4.420 nan 0.000 0.217 58 P C 0.879 178.102 177.300 -0.127 0.000 1.148 58 P CA 1.216 64.226 63.100 -0.150 0.000 0.834 58 P CB 0.096 31.686 31.700 -0.184 0.000 0.783 59 E N -1.141 118.954 120.200 -0.175 0.000 2.442 59 E HA -0.020 4.330 4.350 0.001 0.000 0.195 59 E C 0.294 176.861 176.600 -0.055 0.000 1.030 59 E CA 0.305 56.655 56.400 -0.084 0.000 0.869 59 E CB -0.333 29.330 29.700 -0.060 0.000 0.857 59 E HN 0.273 nan 8.360 nan 0.000 0.505 60 D N 1.202 121.551 120.400 -0.085 0.000 2.343 60 D HA 0.050 4.691 4.640 0.001 0.000 0.255 60 D C 0.563 176.881 176.300 0.030 0.000 1.187 60 D CA 0.159 54.146 54.000 -0.022 0.000 0.875 60 D CB 0.895 41.692 40.800 -0.005 0.000 1.136 60 D HN -0.174 nan 8.370 nan 0.000 0.469 61 K N 2.234 122.648 120.400 0.024 0.000 2.352 61 K HA 0.141 4.462 4.320 0.001 0.000 0.194 61 K C 0.606 177.200 176.600 -0.009 0.000 1.038 61 K CA -0.158 56.136 56.287 0.013 0.000 1.023 61 K CB 0.431 32.934 32.500 0.004 0.000 0.840 61 K HN 0.261 nan 8.250 nan 0.000 0.519 62 R N 1.935 122.418 120.500 -0.028 0.000 2.697 62 R HA -0.022 4.319 4.340 0.001 0.000 0.265 62 R C -0.151 176.022 176.300 -0.213 0.000 1.009 62 R CA 0.719 56.721 56.100 -0.163 0.000 1.099 62 R CB 0.214 30.372 30.300 -0.238 0.000 0.965 62 R HN 0.161 nan 8.270 nan 0.000 0.428 63 E N 1.481 121.485 120.200 -0.326 0.000 2.207 63 E HA 0.291 4.642 4.350 0.001 0.000 0.270 63 E C -1.168 175.161 176.600 -0.452 0.000 0.927 63 E CA -0.632 55.629 56.400 -0.231 0.000 0.799 63 E CB 1.595 31.236 29.700 -0.099 0.000 1.172 63 E HN 0.372 nan 8.360 nan 0.000 0.404 64 Y N 0.425 120.730 120.300 0.009 0.000 2.477 64 Y HA 0.442 4.992 4.550 0.001 0.000 0.347 64 Y C -0.081 175.810 175.900 -0.015 0.000 0.981 64 Y CA -0.910 57.193 58.100 0.005 0.000 1.033 64 Y CB 2.201 40.673 38.460 0.019 0.000 1.245 64 Y HN 0.306 nan 8.280 nan 0.000 0.455 65 R N 1.204 121.775 120.500 0.119 0.000 2.574 65 R HA 0.665 5.005 4.340 0.001 0.000 0.288 65 R C -0.784 175.544 176.300 0.048 0.000 1.004 65 R CA -0.731 55.404 56.100 0.058 0.000 0.895 65 R CB 1.533 31.842 30.300 0.014 0.000 1.191 65 R HN 0.922 nan 8.270 nan 0.000 0.444 66 G N 4.393 113.212 108.800 0.031 0.000 2.377 66 G HA2 0.560 4.520 3.960 0.001 0.000 0.299 66 G HA3 0.560 4.520 3.960 0.001 0.000 0.299 66 G C -0.799 174.101 174.900 -0.001 0.000 1.150 66 G CA -0.535 44.571 45.100 0.010 0.000 0.847 66 G HN 0.428 nan 8.290 nan 0.000 0.501 67 L N 0.530 121.746 121.223 -0.012 0.000 2.393 67 L HA 0.572 4.913 4.340 0.001 0.000 0.260 67 L C -0.388 176.469 176.870 -0.021 0.000 1.002 67 L CA -0.906 53.927 54.840 -0.011 0.000 0.818 67 L CB 2.882 44.936 42.059 -0.009 0.000 1.369 67 L HN 0.515 nan 8.230 nan 0.000 0.412 68 E N 2.173 122.365 120.200 -0.013 0.000 2.165 68 E HA 0.502 4.853 4.350 0.001 0.000 0.266 68 E C -1.112 175.485 176.600 -0.005 0.000 0.889 68 E CA -0.620 55.771 56.400 -0.016 0.000 0.756 68 E CB 1.475 31.167 29.700 -0.013 0.000 1.131 68 E HN 0.477 nan 8.360 nan 0.000 0.411 69 L N 2.691 123.912 121.223 -0.003 0.000 2.476 69 L HA 0.166 4.506 4.340 0.001 0.000 0.255 69 L C 1.604 178.482 176.870 0.013 0.000 1.218 69 L CA 0.084 54.933 54.840 0.014 0.000 0.819 69 L CB 0.471 42.547 42.059 0.029 0.000 1.119 69 L HN 0.748 nan 8.230 nan 0.000 0.485 70 A N 1.250 124.082 122.820 0.020 0.000 1.930 70 A HA -0.171 4.149 4.320 0.001 0.000 0.217 70 A C 1.698 179.291 177.584 0.016 0.000 1.175 70 A CA 1.635 53.682 52.037 0.016 0.000 0.627 70 A CB -0.764 18.247 19.000 0.019 0.000 0.815 70 A HN 0.938 nan 8.150 nan 0.000 0.443 71 N N -0.844 117.870 118.700 0.024 0.000 2.571 71 N HA 0.189 4.929 4.740 0.001 0.000 0.189 71 N C 1.049 176.568 175.510 0.014 0.000 1.154 71 N CA 1.488 54.552 53.050 0.024 0.000 0.907 71 N CB -0.419 38.093 38.487 0.041 0.000 0.977 71 N HN 0.827 nan 8.380 nan 0.000 0.449 72 G N -0.313 108.491 108.800 0.007 0.000 2.213 72 G HA2 -0.245 3.715 3.960 0.001 0.000 0.236 72 G HA3 -0.245 3.715 3.960 0.001 0.000 0.236 72 G C -0.058 174.834 174.900 -0.013 0.000 0.991 72 G CA 0.014 45.112 45.100 -0.003 0.000 0.629 72 G HN 0.374 nan 8.290 nan 0.000 0.517 73 I N 1.988 122.549 120.570 -0.015 0.000 2.662 73 I HA 0.106 4.276 4.170 0.001 0.000 0.285 73 I C 0.763 176.839 176.117 -0.070 0.000 1.161 73 I CA 0.381 61.652 61.300 -0.048 0.000 1.415 73 I CB 0.507 38.475 38.000 -0.054 0.000 1.385 73 I HN 0.063 nan 8.210 nan 0.000 0.552 74 K N 5.668 126.008 120.400 -0.100 0.000 2.339 74 K HA 0.417 4.738 4.320 0.001 0.000 0.286 74 K C -0.815 175.700 176.600 -0.141 0.000 1.050 74 K CA -0.287 55.931 56.287 -0.115 0.000 0.956 74 K CB 1.103 33.516 32.500 -0.145 0.000 0.990 74 K HN 0.334 nan 8.250 nan 0.000 0.475 75 V N 4.439 124.289 119.914 -0.106 0.000 2.656 75 V HA 0.380 4.500 4.120 0.001 0.000 0.307 75 V C -0.632 175.418 176.094 -0.075 0.000 1.051 75 V CA -1.000 61.234 62.300 -0.111 0.000 0.893 75 V CB 1.838 33.606 31.823 -0.091 0.000 0.999 75 V HN 0.635 nan 8.190 nan 0.000 0.426 76 L N 5.364 126.541 121.223 -0.077 0.000 2.356 76 L HA 0.635 4.976 4.340 0.001 0.000 0.277 76 L C -1.237 175.620 176.870 -0.020 0.000 0.996 76 L CA -0.539 54.286 54.840 -0.025 0.000 0.822 76 L CB 1.792 43.839 42.059 -0.021 0.000 1.256 76 L HN 0.585 nan 8.230 nan 0.000 0.413 77 L N 5.817 127.046 121.223 0.009 0.000 2.307 77 L HA 0.554 4.895 4.340 0.001 0.000 0.284 77 L C -0.499 176.355 176.870 -0.025 0.000 1.023 77 L CA -0.442 54.392 54.840 -0.010 0.000 0.810 77 L CB 1.928 43.981 42.059 -0.010 0.000 1.231 77 L HN 0.464 nan 8.230 nan 0.000 0.423 78 I N 1.862 122.387 120.570 -0.075 0.000 2.411 78 I HA 0.242 4.413 4.170 0.001 0.000 0.284 78 I C -0.085 175.926 176.117 -0.178 0.000 1.012 78 I CA -0.236 60.935 61.300 -0.215 0.000 1.119 78 I CB 1.887 39.810 38.000 -0.128 0.000 1.261 78 I HN 0.496 nan 8.210 nan 0.000 0.448 79 S N 4.376 119.944 115.700 -0.221 0.000 2.452 79 S HA 0.277 4.747 4.470 0.001 0.000 0.284 79 S C -0.672 173.836 174.600 -0.153 0.000 1.171 79 S CA -0.293 57.822 58.200 -0.141 0.000 1.064 79 S CB 0.426 63.564 63.200 -0.103 0.000 0.967 79 S HN 0.600 nan 8.310 nan 0.000 0.484 80 D N 5.441 125.779 120.400 -0.103 0.000 2.346 80 D HA 0.402 5.042 4.640 0.001 0.000 0.255 80 D C -2.128 174.125 176.300 -0.079 0.000 1.276 80 D CA -2.030 51.915 54.000 -0.091 0.000 0.941 80 D CB 1.671 42.424 40.800 -0.078 0.000 1.199 80 D HN 0.195 nan 8.370 nan 0.000 0.537 81 P HA -0.065 nan 4.420 nan 0.000 0.228 81 P C 1.171 178.403 177.300 -0.113 0.000 1.151 81 P CA 1.077 64.125 63.100 -0.086 0.000 0.770 81 P CB 0.193 31.854 31.700 -0.065 0.000 0.786 82 T N -6.632 107.865 114.554 -0.095 0.000 3.065 82 T HA 0.057 4.407 4.350 0.001 0.000 0.252 82 T C 0.929 175.565 174.700 -0.107 0.000 1.099 82 T CA 0.042 62.085 62.100 -0.095 0.000 1.063 82 T CB -1.057 67.778 68.868 -0.055 0.000 0.948 82 T HN -0.054 nan 8.240 nan 0.000 0.506 83 T N 1.917 116.410 114.554 -0.102 0.000 2.928 83 T HA 0.067 4.417 4.350 0.001 0.000 0.305 83 T C 0.656 175.317 174.700 -0.065 0.000 1.035 83 T CA -0.183 61.883 62.100 -0.058 0.000 1.145 83 T CB 0.284 69.139 68.868 -0.022 0.000 0.963 83 T HN 0.194 nan 8.240 nan 0.000 0.545 84 D N 3.628 124.040 120.400 0.020 0.000 2.289 84 D HA 0.083 4.724 4.640 0.001 0.000 0.207 84 D C 0.340 176.763 176.300 0.204 0.000 0.966 84 D CA 0.979 55.053 54.000 0.122 0.000 0.868 84 D CB 0.428 41.285 40.800 0.094 0.000 0.943 84 D HN 0.493 nan 8.370 nan 0.000 0.514 85 K N 0.466 120.948 120.400 0.138 0.000 2.426 85 K HA 0.402 4.722 4.320 0.001 0.000 0.254 85 K C -0.573 176.104 176.600 0.128 0.000 0.936 85 K CA -0.386 55.986 56.287 0.142 0.000 0.801 85 K CB 2.648 35.213 32.500 0.108 0.000 1.139 85 K HN -0.207 nan 8.250 nan 0.000 0.424 86 S N 0.496 116.291 115.700 0.158 0.000 2.707 86 S HA 0.528 4.998 4.470 0.001 0.000 0.276 86 S C -0.567 174.074 174.600 0.068 0.000 1.179 86 S CA -0.641 57.629 58.200 0.117 0.000 0.992 86 S CB 1.553 64.845 63.200 0.154 0.000 1.030 86 S HN 0.540 nan 8.310 nan 0.000 0.554 87 S N -0.697 114.958 115.700 -0.075 0.000 2.552 87 S HA 0.700 5.171 4.470 0.001 0.000 0.272 87 S C -1.816 172.438 174.600 -0.577 0.000 1.150 87 S CA -0.384 57.595 58.200 -0.367 0.000 0.849 87 S CB 1.152 64.244 63.200 -0.180 0.000 1.113 87 S HN 1.073 nan 8.310 nan 0.000 0.458 88 A N 1.660 123.779 122.820 -1.169 0.000 2.515 88 A HA 1.003 5.323 4.320 0.001 0.000 0.298 88 A C -0.654 176.529 177.584 -0.668 0.000 1.059 88 A CA -0.194 51.353 52.037 -0.816 0.000 0.698 88 A CB 1.489 20.051 19.000 -0.729 0.000 1.289 88 A HN 1.729 nan 8.150 nan 0.000 0.404 89 A N 0.648 123.316 122.820 -0.254 0.000 2.498 89 A HA 0.846 5.167 4.320 0.001 0.000 0.298 89 A C -1.417 176.260 177.584 0.155 0.000 1.075 89 A CA -0.447 51.624 52.037 0.055 0.000 0.714 89 A CB 1.423 20.482 19.000 0.098 0.000 1.299 89 A HN 1.883 nan 8.150 nan 0.000 0.407 90 L N 1.324 122.769 121.223 0.370 0.000 2.464 90 L HA 0.572 4.912 4.340 0.001 0.000 0.266 90 L C -1.723 175.247 176.870 0.166 0.000 0.965 90 L CA -0.452 54.448 54.840 0.100 0.000 0.833 90 L CB 1.884 43.811 42.059 -0.220 0.000 1.296 90 L HN 0.802 nan 8.230 nan 0.000 0.405 91 D N 4.272 124.730 120.400 0.096 0.000 2.408 91 D HA 0.344 4.984 4.640 0.001 0.000 0.243 91 D C -1.110 175.312 176.300 0.202 0.000 1.075 91 D CA -0.284 53.828 54.000 0.187 0.000 0.832 91 D CB 2.377 43.323 40.800 0.244 0.000 1.162 91 D HN 0.303 nan 8.370 nan 0.000 0.515 92 V N 4.205 124.174 119.914 0.092 0.000 2.432 92 V HA 0.093 4.213 4.120 0.001 0.000 0.275 92 V C 0.945 176.992 176.094 -0.077 0.000 1.043 92 V CA -0.545 61.710 62.300 -0.074 0.000 0.925 92 V CB 1.072 32.657 31.823 -0.397 0.000 0.985 92 V HN 0.600 nan 8.190 nan 0.000 0.466 93 H N 5.042 123.899 119.070 -0.355 0.000 3.332 93 H HA 0.342 4.899 4.556 0.001 0.000 0.235 93 H C -0.349 174.740 175.328 -0.398 0.000 1.633 93 H CA -0.285 55.400 56.048 -0.605 0.000 1.288 93 H CB -0.108 29.150 29.762 -0.840 0.000 1.547 93 H HN 0.370 nan 8.280 nan 0.000 0.622 94 I N 0.369 120.890 120.570 -0.083 0.000 2.802 94 I HA 0.397 4.567 4.170 0.001 0.000 0.298 94 I C 0.514 176.694 176.117 0.106 0.000 1.176 94 I CA -0.317 60.964 61.300 -0.033 0.000 1.025 94 I CB 2.063 40.012 38.000 -0.085 0.000 1.243 94 I HN 0.502 nan 8.210 nan 0.000 0.424 95 G N 2.004 110.892 108.800 0.146 0.000 2.772 95 G HA2 0.288 4.248 3.960 0.001 0.000 0.284 95 G HA3 0.288 4.248 3.960 0.001 0.000 0.284 95 G C 0.374 175.386 174.900 0.186 0.000 1.217 95 G CA 0.471 45.693 45.100 0.203 0.000 0.831 95 G HN 0.511 nan 8.290 nan 0.000 0.523 96 S N -0.655 115.133 115.700 0.146 0.000 2.522 96 S HA 0.022 4.492 4.470 0.001 0.000 0.227 96 S C 2.066 176.724 174.600 0.096 0.000 0.986 96 S CA 0.712 58.966 58.200 0.090 0.000 0.929 96 S CB -0.062 63.171 63.200 0.055 0.000 0.769 96 S HN 0.248 nan 8.310 nan 0.000 0.529 97 L N 2.023 123.316 121.223 0.116 0.000 2.353 97 L HA 0.173 4.514 4.340 0.001 0.000 0.220 97 L C 1.992 178.987 176.870 0.208 0.000 1.133 97 L CA 1.070 55.979 54.840 0.114 0.000 0.798 97 L CB -1.134 40.934 42.059 0.015 0.000 0.922 97 L HN 0.342 nan 8.230 nan 0.000 0.445 98 S N -1.520 114.294 115.700 0.191 0.000 2.557 98 S HA 0.096 4.566 4.470 0.001 0.000 0.223 98 S C 0.255 175.033 174.600 0.296 0.000 0.969 98 S CA -0.562 57.737 58.200 0.165 0.000 0.927 98 S CB -0.050 63.072 63.200 -0.130 0.000 0.806 98 S HN 0.316 nan 8.310 nan 0.000 0.489 99 D N 3.630 124.160 120.400 0.217 0.000 2.449 99 D HA 0.151 4.791 4.640 0.001 0.000 0.236 99 D C -2.493 173.922 176.300 0.193 0.000 1.149 99 D CA -1.191 52.904 54.000 0.159 0.000 0.878 99 D CB 0.236 41.044 40.800 0.014 0.000 1.198 99 D HN 0.073 nan 8.370 nan 0.000 0.446 100 P HA 0.063 nan 4.420 nan 0.000 0.268 100 P C -1.939 175.430 177.300 0.115 0.000 1.204 100 P CA -0.890 62.309 63.100 0.164 0.000 0.768 100 P CB 0.289 32.075 31.700 0.145 0.000 0.842 101 P HA -0.159 nan 4.420 nan 0.000 0.221 101 P C 0.498 177.865 177.300 0.111 0.000 1.145 101 P CA 1.478 64.647 63.100 0.115 0.000 0.795 101 P CB -0.334 31.433 31.700 0.113 0.000 0.775 102 N N -1.228 117.527 118.700 0.091 0.000 2.203 102 N HA 0.153 4.893 4.740 0.001 0.000 0.207 102 N C 0.071 175.610 175.510 0.048 0.000 1.130 102 N CA -0.106 52.991 53.050 0.078 0.000 0.861 102 N CB -0.011 38.513 38.487 0.062 0.000 1.005 102 N HN 0.048 nan 8.380 nan 0.000 0.507 103 I N 0.853 121.444 120.570 0.036 0.000 2.871 103 I HA 0.343 4.513 4.170 0.001 0.000 0.284 103 I C -0.354 175.731 176.117 -0.053 0.000 1.390 103 I CA -0.988 60.304 61.300 -0.012 0.000 0.958 103 I CB 1.139 39.132 38.000 -0.012 0.000 1.618 103 I HN 0.048 nan 8.210 nan 0.000 0.595 104 A N 2.620 125.398 122.820 -0.070 0.000 2.524 104 A HA 0.510 4.831 4.320 0.001 0.000 0.250 104 A C 1.376 178.780 177.584 -0.301 0.000 1.078 104 A CA 1.054 52.986 52.037 -0.175 0.000 0.761 104 A CB -0.127 18.748 19.000 -0.208 0.000 1.012 104 A HN 1.188 nan 8.150 nan 0.000 0.500 105 G N 1.178 109.792 108.800 -0.311 0.000 2.201 105 G HA2 -0.184 3.776 3.960 0.001 0.000 0.212 105 G HA3 -0.184 3.776 3.960 0.001 0.000 0.212 105 G C 0.770 175.582 174.900 -0.147 0.000 0.994 105 G CA 0.499 45.421 45.100 -0.296 0.000 0.644 105 G HN 1.188 nan 8.290 nan 0.000 0.508 106 L N 2.404 123.529 121.223 -0.164 0.000 1.989 106 L HA 0.029 4.369 4.340 0.001 0.000 0.211 106 L C 3.086 179.773 176.870 -0.305 0.000 1.071 106 L CA 3.519 58.246 54.840 -0.189 0.000 0.749 106 L CB -0.731 41.170 42.059 -0.264 0.000 0.890 106 L HN 0.789 nan 8.230 nan 0.000 0.431 107 S N -2.128 113.293 115.700 -0.464 0.000 2.399 107 S HA -0.287 4.183 4.470 0.001 0.000 0.231 107 S C 2.155 176.791 174.600 0.060 0.000 1.022 107 S CA 1.291 59.258 58.200 -0.387 0.000 0.983 107 S CB -1.053 61.974 63.200 -0.288 0.000 0.803 107 S HN 0.742 nan 8.310 nan 0.000 0.480 108 H N -0.543 118.525 119.070 -0.004 0.000 2.357 108 H HA -0.070 4.487 4.556 0.001 0.000 0.301 108 H C 1.999 177.459 175.328 0.219 0.000 1.082 108 H CA 1.400 57.515 56.048 0.112 0.000 1.342 108 H CB -0.294 29.477 29.762 0.016 0.000 1.389 108 H HN 0.467 nan 8.280 nan 0.000 0.511 109 F N 1.702 121.507 119.950 -0.242 0.000 2.095 109 F HA -0.231 4.296 4.527 0.001 0.000 0.298 109 F C 2.916 178.699 175.800 -0.030 0.000 1.104 109 F CA 1.209 59.049 58.000 -0.266 0.000 1.232 109 F CB -1.418 37.433 39.000 -0.248 0.000 0.987 109 F HN 0.357 nan 8.300 nan 0.000 0.475 110 C N 0.878 120.169 119.300 -0.014 0.000 2.398 110 C HA -0.247 4.213 4.460 0.001 0.000 0.276 110 C C 2.850 177.976 174.990 0.226 0.000 1.222 110 C CA 1.858 60.895 59.018 0.033 0.000 1.746 110 C CB -1.481 26.247 27.740 -0.020 0.000 2.039 110 C HN 0.655 nan 8.230 nan 0.000 0.470 111 Q N -0.486 119.529 119.800 0.359 0.000 2.082 111 Q HA -0.290 4.051 4.340 0.001 0.000 0.211 111 Q C 2.142 178.471 176.000 0.547 0.000 1.002 111 Q CA 2.385 58.504 55.803 0.528 0.000 0.868 111 Q CB -0.654 28.359 28.738 0.458 0.000 0.931 111 Q HN 0.827 nan 8.270 nan 0.000 0.414 112 H N -1.018 118.214 119.070 0.269 0.000 2.353 112 H HA -0.119 4.437 4.556 0.001 0.000 0.300 112 H C 2.137 177.581 175.328 0.192 0.000 1.090 112 H CA 1.429 57.627 56.048 0.249 0.000 1.327 112 H CB 0.121 29.983 29.762 0.167 0.000 1.383 112 H HN 0.329 nan 8.280 nan 0.000 0.508 113 M N 0.550 120.230 119.600 0.133 0.000 2.319 113 M HA -0.083 4.397 4.480 0.001 0.000 0.265 113 M C 2.399 178.507 176.300 -0.320 0.000 1.068 113 M CA 0.707 55.958 55.300 -0.081 0.000 1.118 113 M CB -0.741 31.809 32.600 -0.082 0.000 1.395 113 M HN 0.255 nan 8.290 nan 0.000 0.435 114 L N -1.355 119.635 121.223 -0.389 0.000 2.261 114 L HA -0.186 4.155 4.340 0.001 0.000 0.216 114 L C 1.901 177.839 176.870 -1.552 0.000 1.114 114 L CA 1.125 55.337 54.840 -1.047 0.000 0.777 114 L CB -0.773 40.603 42.059 -1.138 0.000 0.910 114 L HN 0.162 nan 8.230 nan 0.000 0.440 115 F N -0.474 118.969 119.950 -0.846 0.000 2.710 115 F HA 0.007 4.534 4.527 0.000 0.000 0.298 115 F C 1.650 177.241 175.800 -0.349 0.000 1.137 115 F CA 0.511 58.123 58.000 -0.647 0.000 1.444 115 F CB 0.013 38.926 39.000 -0.144 0.000 1.111 115 F HN -0.031 nan 8.300 nan 0.000 0.580 116 L N -0.197 120.905 121.223 -0.202 0.000 2.791 116 L HA 0.479 4.819 4.340 0.001 0.000 0.239 116 L C 0.416 177.190 176.870 -0.159 0.000 1.203 116 L CA -0.196 54.588 54.840 -0.094 0.000 1.002 116 L CB -0.485 41.544 42.059 -0.050 0.000 1.295 116 L HN 0.130 nan 8.230 nan 0.000 0.504 117 G N 0.049 108.706 108.800 -0.238 0.000 2.453 117 G HA2 0.139 4.099 3.960 0.001 0.000 0.665 117 G HA3 0.139 4.099 3.960 0.001 0.000 0.665 117 G C -0.628 174.113 174.900 -0.265 0.000 1.411 117 G CA -0.376 44.624 45.100 -0.167 0.000 0.889 117 G HN 0.061 nan 8.290 nan 0.000 0.651 118 T N -1.348 113.113 114.554 -0.155 0.000 2.865 118 T HA 0.661 5.012 4.350 0.001 0.000 0.294 118 T C 1.179 175.805 174.700 -0.124 0.000 1.119 118 T CA -0.174 61.815 62.100 -0.186 0.000 1.007 118 T CB 2.188 70.981 68.868 -0.125 0.000 1.225 118 T HN 0.585 nan 8.240 nan 0.000 0.515 119 K N 0.228 120.544 120.400 -0.139 0.000 2.044 119 K HA -0.160 4.160 4.320 0.001 0.000 0.210 119 K C 2.109 178.623 176.600 -0.144 0.000 1.049 119 K CA 1.761 57.974 56.287 -0.123 0.000 0.927 119 K CB -0.189 32.244 32.500 -0.112 0.000 0.713 119 K HN 0.634 nan 8.250 nan 0.000 0.443 120 K N -0.557 119.733 120.400 -0.184 0.000 2.288 120 K HA -0.095 4.226 4.320 0.001 0.000 0.201 120 K C -0.240 176.009 176.600 -0.584 0.000 1.048 120 K CA 0.964 57.028 56.287 -0.372 0.000 0.956 120 K CB 0.304 32.548 32.500 -0.426 0.000 0.746 120 K HN 0.110 nan 8.250 nan 0.000 0.461 121 Y N 0.046 120.304 120.300 -0.070 0.000 2.535 121 Y HA 0.231 4.781 4.550 0.000 0.000 0.351 121 Y C -2.074 173.795 175.900 -0.051 0.000 1.050 121 Y CA -1.808 56.263 58.100 -0.048 0.000 1.168 121 Y CB 1.672 40.112 38.460 -0.034 0.000 1.116 121 Y HN 0.067 nan 8.280 nan 0.000 0.654 122 P HA -0.071 nan 4.420 nan 0.000 0.229 122 P C 0.651 177.963 177.300 0.021 0.000 1.160 122 P CA 0.568 63.666 63.100 -0.004 0.000 0.777 122 P CB 0.154 31.834 31.700 -0.033 0.000 0.814 123 K N 1.779 122.215 120.400 0.060 0.000 2.472 123 K HA -0.069 4.251 4.320 0.001 0.000 0.280 123 K C 1.174 177.815 176.600 0.070 0.000 1.028 123 K CA 0.317 56.643 56.287 0.065 0.000 1.045 123 K CB -0.920 31.630 32.500 0.084 0.000 0.902 123 K HN 0.257 nan 8.250 nan 0.000 0.478 124 E N 1.929 122.161 120.200 0.053 0.000 2.058 124 E HA -0.246 4.105 4.350 0.001 0.000 0.194 124 E C 1.337 177.996 176.600 0.098 0.000 0.997 124 E CA 2.101 58.532 56.400 0.051 0.000 0.801 124 E CB -0.020 29.705 29.700 0.042 0.000 0.746 124 E HN 0.915 nan 8.360 nan 0.000 0.450 125 N N -0.491 118.280 118.700 0.120 0.000 2.313 125 N HA -0.025 4.715 4.740 0.001 0.000 0.207 125 N C 1.369 176.982 175.510 0.171 0.000 1.141 125 N CA -0.185 52.962 53.050 0.161 0.000 0.830 125 N CB 0.406 38.983 38.487 0.150 0.000 1.008 125 N HN 0.036 nan 8.380 nan 0.000 0.481 126 E N 1.201 121.499 120.200 0.163 0.000 2.058 126 E HA -0.261 4.089 4.350 0.001 0.000 0.194 126 E C 1.146 177.843 176.600 0.162 0.000 0.997 126 E CA 1.231 57.722 56.400 0.151 0.000 0.801 126 E CB -0.243 29.547 29.700 0.149 0.000 0.746 126 E HN 0.675 nan 8.360 nan 0.000 0.450 127 Y N 1.185 121.530 120.300 0.075 0.000 2.114 127 Y HA -0.247 4.303 4.550 0.001 0.000 0.284 127 Y C 2.725 178.722 175.900 0.161 0.000 1.143 127 Y CA 2.706 60.858 58.100 0.088 0.000 1.135 127 Y CB -0.402 38.202 38.460 0.239 0.000 0.980 127 Y HN 0.116 nan 8.280 nan 0.000 0.499 128 S N -0.441 115.373 115.700 0.189 0.000 2.414 128 S HA -0.212 4.259 4.470 0.001 0.000 0.227 128 S C 2.010 176.620 174.600 0.018 0.000 1.022 128 S CA 1.042 59.270 58.200 0.048 0.000 0.958 128 S CB -0.638 62.658 63.200 0.160 0.000 0.797 128 S HN 0.711 nan 8.310 nan 0.000 0.493 129 Q N 0.048 119.895 119.800 0.079 0.000 2.084 129 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 129 Q C 1.897 177.921 176.000 0.040 0.000 0.978 129 Q CA 1.626 57.466 55.803 0.062 0.000 0.844 129 Q CB -0.334 28.459 28.738 0.092 0.000 0.898 129 Q HN 0.639 nan 8.270 nan 0.000 0.426 130 F N 0.756 120.660 119.950 -0.077 0.000 2.126 130 F HA -0.233 4.295 4.527 0.001 0.000 0.299 130 F C 1.701 177.471 175.800 -0.050 0.000 1.096 130 F CA 1.444 59.403 58.000 -0.068 0.000 1.255 130 F CB -0.115 38.770 39.000 -0.192 0.000 0.997 130 F HN 0.064 nan 8.300 nan 0.000 0.479 131 L N -1.056 120.129 121.223 -0.063 0.000 2.027 131 L HA -0.224 4.116 4.340 0.001 0.000 0.206 131 L C 2.747 179.525 176.870 -0.153 0.000 1.074 131 L CA 1.468 56.218 54.840 -0.150 0.000 0.745 131 L CB -1.154 40.779 42.059 -0.210 0.000 0.898 131 L HN 0.154 nan 8.230 nan 0.000 0.433 132 S N -0.088 115.536 115.700 -0.127 0.000 2.365 132 S HA -0.246 4.224 4.470 0.001 0.000 0.225 132 S C 1.769 176.251 174.600 -0.196 0.000 1.039 132 S CA 1.706 59.839 58.200 -0.112 0.000 1.033 132 S CB -0.181 62.989 63.200 -0.050 0.000 0.887 132 S HN 0.455 nan 8.310 nan 0.000 0.447 133 E N -1.022 118.971 120.200 -0.345 0.000 2.418 133 E HA -0.052 4.298 4.350 0.001 0.000 0.197 133 E C 0.303 176.271 176.600 -1.053 0.000 1.026 133 E CA 0.625 56.604 56.400 -0.702 0.000 0.862 133 E CB 0.042 29.275 29.700 -0.779 0.000 0.799 133 E HN 0.687 nan 8.360 nan 0.000 0.518 134 H N -1.020 117.742 119.070 -0.513 0.000 2.575 134 H HA 0.431 4.988 4.556 0.000 0.000 0.256 134 H C 0.048 175.227 175.328 -0.248 0.000 1.162 134 H CA 0.317 56.068 56.048 -0.494 0.000 0.969 134 H CB 1.199 30.473 29.762 -0.813 0.000 1.796 134 H HN 0.125 nan 8.280 nan 0.000 0.607 135 A N -0.006 122.730 122.820 -0.140 0.000 2.905 135 A HA -0.119 4.201 4.320 0.001 0.000 0.260 135 A C 1.092 178.674 177.584 -0.004 0.000 1.398 135 A CA 0.771 52.773 52.037 -0.058 0.000 0.840 135 A CB -1.789 17.194 19.000 -0.028 0.000 1.059 135 A HN 0.639 nan 8.150 nan 0.000 0.647 136 G N -1.422 107.369 108.800 -0.016 0.000 2.601 136 G HA2 0.933 4.893 3.960 0.001 0.000 0.317 136 G HA3 0.933 4.893 3.960 0.001 0.000 0.317 136 G C -0.125 174.797 174.900 0.036 0.000 1.246 136 G CA 0.376 45.504 45.100 0.045 0.000 1.012 136 G HN 2.020 nan 8.290 nan 0.000 0.494 137 S N -2.058 113.702 115.700 0.100 0.000 2.588 137 S HA 0.809 5.280 4.470 0.001 0.000 0.269 137 S C -0.913 173.805 174.600 0.197 0.000 1.157 137 S CA -0.554 57.701 58.200 0.092 0.000 0.824 137 S CB 1.794 65.052 63.200 0.097 0.000 1.126 137 S HN 1.209 nan 8.310 nan 0.000 0.464 138 S N 0.544 116.357 115.700 0.188 0.000 2.570 138 S HA 0.813 5.283 4.470 0.001 0.000 0.270 138 S C -1.649 173.028 174.600 0.128 0.000 1.149 138 S CA -0.515 57.871 58.200 0.310 0.000 0.837 138 S CB 1.604 65.163 63.200 0.598 0.000 1.124 138 S HN 0.883 nan 8.310 nan 0.000 0.465 139 N N 0.059 118.706 118.700 -0.089 0.000 3.277 139 N HA 0.844 5.584 4.740 0.001 0.000 0.278 139 N C -1.884 173.353 175.510 -0.454 0.000 1.544 139 N CA 0.115 53.015 53.050 -0.249 0.000 0.869 139 N CB 1.740 40.203 38.487 -0.039 0.000 1.584 139 N HN 0.974 nan 8.380 nan 0.000 0.564 140 A N -0.078 122.648 122.820 -0.157 0.000 2.612 140 A HA 0.727 5.048 4.320 0.001 0.000 0.293 140 A C -1.827 175.850 177.584 0.156 0.000 1.075 140 A CA -0.630 51.352 52.037 -0.092 0.000 0.680 140 A CB 0.699 19.715 19.000 0.028 0.000 1.279 140 A HN 0.558 nan 8.150 nan 0.000 0.411 141 F N -1.249 118.779 119.950 0.130 0.000 2.629 141 F HA 0.887 5.414 4.527 0.000 0.000 0.316 141 F C -0.349 175.528 175.800 0.129 0.000 1.081 141 F CA -0.784 57.310 58.000 0.157 0.000 0.954 141 F CB 1.826 40.938 39.000 0.187 0.000 1.337 141 F HN 0.355 nan 8.300 nan 0.000 0.474 142 T N 1.550 116.343 114.554 0.399 0.000 2.809 142 T HA 0.567 4.918 4.350 0.001 0.000 0.284 142 T C -0.387 174.518 174.700 0.343 0.000 0.992 142 T CA -0.672 61.617 62.100 0.315 0.000 0.957 142 T CB 1.242 70.266 68.868 0.260 0.000 0.942 142 T HN 0.904 nan 8.240 nan 0.000 0.439 143 S N 2.006 117.934 115.700 0.381 0.000 2.776 143 S HA 0.716 5.186 4.470 0.001 0.000 0.306 143 S C 1.823 176.572 174.600 0.249 0.000 1.114 143 S CA -0.285 58.098 58.200 0.304 0.000 0.973 143 S CB 0.608 64.013 63.200 0.342 0.000 1.250 143 S HN 0.667 nan 8.310 nan 0.000 0.549 144 G N 0.009 108.945 108.800 0.228 0.000 2.469 144 G HA2 -0.120 3.841 3.960 0.001 0.000 0.219 144 G HA3 -0.120 3.841 3.960 0.001 0.000 0.219 144 G C 0.836 175.835 174.900 0.164 0.000 1.150 144 G CA 0.952 46.158 45.100 0.177 0.000 0.763 144 G HN 0.812 nan 8.290 nan 0.000 0.561 145 E N -1.087 119.222 120.200 0.182 0.000 2.601 145 E HA 0.174 4.524 4.350 0.001 0.000 0.219 145 E C -0.397 176.078 176.600 -0.209 0.000 0.964 145 E CA -0.234 56.211 56.400 0.076 0.000 1.050 145 E CB 0.684 30.463 29.700 0.132 0.000 1.068 145 E HN 0.439 nan 8.360 nan 0.000 0.496 146 H N -0.203 118.975 119.070 0.179 0.000 2.961 146 H HA 0.388 4.945 4.556 0.001 0.000 0.371 146 H C -0.721 174.678 175.328 0.119 0.000 1.190 146 H CA -0.487 55.626 56.048 0.108 0.000 1.138 146 H CB 2.407 32.230 29.762 0.101 0.000 1.816 146 H HN -0.140 nan 8.280 nan 0.000 0.551 147 T N 2.359 117.012 114.554 0.165 0.000 2.881 147 T HA 0.213 4.564 4.350 0.001 0.000 0.290 147 T C -0.255 174.390 174.700 -0.092 0.000 1.000 147 T CA -0.935 61.196 62.100 0.051 0.000 0.978 147 T CB 1.412 70.434 68.868 0.258 0.000 0.997 147 T HN 0.463 nan 8.240 nan 0.000 0.443 148 N N 2.430 120.836 118.700 -0.491 0.000 2.410 148 N HA 0.354 5.094 4.740 0.001 0.000 0.287 148 N C -1.863 173.476 175.510 -0.285 0.000 1.044 148 N CA -0.376 52.446 53.050 -0.382 0.000 0.881 148 N CB 1.410 39.366 38.487 -0.885 0.000 1.405 148 N HN 0.505 nan 8.380 nan 0.000 0.490 149 Y N 2.669 123.144 120.300 0.292 0.000 2.446 149 Y HA 0.521 5.071 4.550 0.000 0.000 0.345 149 Y C -0.456 175.795 175.900 0.585 0.000 0.984 149 Y CA -0.702 57.661 58.100 0.438 0.000 1.058 149 Y CB 1.492 40.309 38.460 0.595 0.000 1.220 149 Y HN 0.388 nan 8.280 nan 0.000 0.455 150 Y N 0.642 121.334 120.300 0.653 0.000 2.592 150 Y HA 0.751 5.301 4.550 0.000 0.000 0.334 150 Y C -1.678 174.424 175.900 0.336 0.000 1.136 150 Y CA -2.410 55.858 58.100 0.278 0.000 1.042 150 Y CB 1.180 39.731 38.460 0.152 0.000 1.325 150 Y HN 0.478 nan 8.280 nan 0.000 0.457 151 F N -0.042 120.029 119.950 0.202 0.000 2.645 151 F HA 0.882 5.409 4.527 0.000 0.000 0.310 151 F C -1.642 174.228 175.800 0.116 0.000 1.102 151 F CA -1.092 57.008 58.000 0.166 0.000 0.952 151 F CB 1.838 40.890 39.000 0.088 0.000 1.326 151 F HN 0.596 nan 8.300 nan 0.000 0.456 152 D N 0.483 121.120 120.400 0.394 0.000 2.497 152 D HA 0.770 5.410 4.640 0.001 0.000 0.243 152 D C -1.497 175.052 176.300 0.416 0.000 1.039 152 D CA -1.111 53.080 54.000 0.317 0.000 1.052 152 D CB 2.073 42.965 40.800 0.155 0.000 1.344 152 D HN 0.873 nan 8.370 nan 0.000 0.553 153 V N -0.708 119.389 119.914 0.304 0.000 3.036 153 V HA 0.377 4.498 4.120 0.001 0.000 0.288 153 V C -0.710 175.492 176.094 0.181 0.000 1.407 153 V CA -0.695 61.740 62.300 0.226 0.000 0.983 153 V CB 1.831 33.808 31.823 0.255 0.000 1.128 153 V HN 0.909 nan 8.190 nan 0.000 0.439 154 S N 3.230 119.009 115.700 0.131 0.000 2.953 154 S HA -0.114 4.356 4.470 0.001 0.000 0.348 154 S C 1.337 175.975 174.600 0.063 0.000 1.215 154 S CA 1.214 59.474 58.200 0.100 0.000 1.019 154 S CB -0.065 63.213 63.200 0.131 0.000 0.726 154 S HN 1.496 nan 8.310 nan 0.000 0.503 155 H N 2.466 121.585 119.070 0.083 0.000 2.489 155 H HA 0.017 4.574 4.556 0.000 0.000 0.295 155 H C 1.499 176.829 175.328 0.003 0.000 1.082 155 H CA 1.858 57.937 56.048 0.051 0.000 1.295 155 H CB -0.139 29.638 29.762 0.026 0.000 1.380 155 H HN 0.759 nan 8.280 nan 0.000 0.548 156 E N -0.114 119.716 120.200 -0.616 0.000 2.482 156 E HA -0.057 4.293 4.350 0.001 0.000 0.196 156 E C 0.468 176.708 176.600 -0.599 0.000 1.047 156 E CA 0.256 56.321 56.400 -0.559 0.000 0.869 156 E CB 0.253 29.546 29.700 -0.679 0.000 0.836 156 E HN 0.741 nan 8.360 nan 0.000 0.520 157 H N -0.343 118.692 119.070 -0.058 0.000 2.510 157 H HA 0.115 4.671 4.556 0.001 0.000 0.266 157 H C 1.503 176.877 175.328 0.076 0.000 1.146 157 H CA -0.160 55.881 56.048 -0.011 0.000 0.993 157 H CB 0.482 30.156 29.762 -0.147 0.000 1.727 157 H HN 0.171 nan 8.280 nan 0.000 0.590 158 L N 0.679 121.986 121.223 0.141 0.000 1.990 158 L HA -0.225 4.115 4.340 0.001 0.000 0.213 158 L C 2.469 179.431 176.870 0.154 0.000 1.072 158 L CA 1.915 56.871 54.840 0.194 0.000 0.755 158 L CB -0.020 42.134 42.059 0.159 0.000 0.889 158 L HN 0.337 nan 8.230 nan 0.000 0.432 159 E N -0.678 119.577 120.200 0.091 0.000 2.051 159 E HA -0.203 4.147 4.350 0.001 0.000 0.192 159 E C 1.976 178.565 176.600 -0.019 0.000 0.991 159 E CA 1.348 57.782 56.400 0.056 0.000 0.799 159 E CB -0.271 29.452 29.700 0.038 0.000 0.748 159 E HN 0.563 nan 8.360 nan 0.000 0.449 160 G N 0.281 109.049 108.800 -0.053 0.000 2.408 160 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 160 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 160 G C 1.602 176.109 174.900 -0.655 0.000 1.150 160 G CA 0.806 45.717 45.100 -0.315 0.000 0.776 160 G HN 0.422 nan 8.290 nan 0.000 0.542 161 A N 0.431 123.021 122.820 -0.383 0.000 1.872 161 A HA 0.149 4.469 4.320 0.001 0.000 0.214 161 A C 2.312 179.616 177.584 -0.468 0.000 1.187 161 A CA 1.454 53.153 52.037 -0.564 0.000 0.614 161 A CB -0.523 18.098 19.000 -0.632 0.000 0.826 161 A HN 0.349 nan 8.150 nan 0.000 0.442 162 L N 0.506 121.675 121.223 -0.090 0.000 2.042 162 L HA -0.192 4.148 4.340 0.001 0.000 0.210 162 L C 1.961 178.901 176.870 0.117 0.000 1.076 162 L CA 2.733 57.714 54.840 0.235 0.000 0.749 162 L CB -0.711 41.550 42.059 0.337 0.000 0.893 162 L HN 0.545 nan 8.230 nan 0.000 0.432 163 D N -1.014 119.362 120.400 -0.040 0.000 2.097 163 D HA -0.183 4.458 4.640 0.001 0.000 0.197 163 D C 2.280 178.530 176.300 -0.083 0.000 0.984 163 D CA 1.333 55.299 54.000 -0.057 0.000 0.826 163 D CB 0.027 40.811 40.800 -0.027 0.000 0.973 163 D HN 0.257 nan 8.370 nan 0.000 0.460 164 R N -0.815 119.491 120.500 -0.322 0.000 2.091 164 R HA -0.125 4.215 4.340 0.001 0.000 0.238 164 R C 2.385 178.568 176.300 -0.194 0.000 1.136 164 R CA 1.319 57.167 56.100 -0.420 0.000 0.959 164 R CB -0.658 29.246 30.300 -0.659 0.000 0.856 164 R HN 0.288 nan 8.270 nan 0.000 0.437 165 F N 1.328 121.047 119.950 -0.385 0.000 2.102 165 F HA -0.196 4.331 4.527 0.001 0.000 0.298 165 F C 2.330 177.850 175.800 -0.467 0.000 1.105 165 F CA 1.535 59.107 58.000 -0.712 0.000 1.239 165 F CB -0.188 38.756 39.000 -0.093 0.000 0.991 165 F HN 0.011 nan 8.300 nan 0.000 0.474 166 A N -0.250 122.552 122.820 -0.031 0.000 2.019 166 A HA -0.187 4.134 4.320 0.001 0.000 0.219 166 A C 2.009 179.529 177.584 -0.107 0.000 1.164 166 A CA 1.341 53.313 52.037 -0.108 0.000 0.644 166 A CB -0.593 18.008 19.000 -0.665 0.000 0.805 166 A HN 0.486 nan 8.150 nan 0.000 0.449 167 Q N -0.811 118.910 119.800 -0.132 0.000 2.170 167 Q HA -0.127 4.213 4.340 0.001 0.000 0.203 167 Q C 1.637 177.545 176.000 -0.154 0.000 0.976 167 Q CA 0.947 56.705 55.803 -0.074 0.000 0.858 167 Q CB -0.694 28.071 28.738 0.045 0.000 0.907 167 Q HN 0.674 nan 8.270 nan 0.000 0.433 168 F N -0.111 119.400 119.950 -0.731 0.000 2.184 168 F HA -0.190 4.338 4.527 0.001 0.000 0.301 168 F C 1.573 176.804 175.800 -0.947 0.000 1.076 168 F CA 0.729 58.046 58.000 -1.138 0.000 1.295 168 F CB -0.691 37.090 39.000 -2.032 0.000 1.026 168 F HN 0.049 nan 8.300 nan 0.000 0.494 169 F N -1.576 118.411 119.950 0.062 0.000 2.693 169 F HA 0.224 4.752 4.527 0.000 0.000 0.303 169 F C 1.530 177.453 175.800 0.205 0.000 1.097 169 F CA 0.113 58.227 58.000 0.191 0.000 1.330 169 F CB -0.472 38.602 39.000 0.123 0.000 1.067 169 F HN -0.133 nan 8.300 nan 0.000 0.565 170 L N -1.407 119.917 121.223 0.168 0.000 2.738 170 L HA 0.226 4.566 4.340 0.001 0.000 0.175 170 L C 0.024 176.919 176.870 0.041 0.000 1.125 170 L CA 0.112 55.022 54.840 0.117 0.000 0.857 170 L CB 0.680 42.761 42.059 0.036 0.000 1.300 170 L HN 0.116 nan 8.230 nan 0.000 0.499 171 C N -0.419 118.828 119.300 -0.089 0.000 3.171 171 C HA 0.475 4.935 4.460 0.001 0.000 0.336 171 C C -2.792 172.001 174.990 -0.329 0.000 1.035 171 C CA -1.977 56.930 59.018 -0.185 0.000 1.361 171 C CB 0.111 27.785 27.740 -0.111 0.000 1.804 171 C HN -0.008 nan 8.230 nan 0.000 0.535 172 P HA 0.161 nan 4.420 nan 0.000 0.271 172 P C 0.924 177.822 177.300 -0.670 0.000 1.218 172 P CA 0.019 62.633 63.100 -0.811 0.000 0.780 172 P CB 1.195 32.048 31.700 -1.412 0.000 0.901 173 L N 1.334 122.235 121.223 -0.538 0.000 2.109 173 L HA -0.041 4.299 4.340 0.001 0.000 0.207 173 L C 0.980 177.707 176.870 -0.239 0.000 1.086 173 L CA 0.710 55.364 54.840 -0.309 0.000 0.760 173 L CB -0.912 41.023 42.059 -0.206 0.000 0.910 173 L HN 0.324 nan 8.230 nan 0.000 0.437 174 F N 0.741 120.543 119.950 -0.247 0.000 2.925 174 F HA -0.270 4.257 4.527 0.001 0.000 0.239 174 F C 0.726 176.427 175.800 -0.164 0.000 1.009 174 F CA 0.229 58.086 58.000 -0.237 0.000 0.847 174 F CB -2.069 36.781 39.000 -0.250 0.000 0.719 174 F HN 0.258 nan 8.300 nan 0.000 0.826 175 D N 0.659 121.030 120.400 -0.048 0.000 2.571 175 D HA -0.026 4.614 4.640 0.001 0.000 0.231 175 D C 1.281 177.582 176.300 0.001 0.000 1.133 175 D CA 0.562 54.546 54.000 -0.027 0.000 0.862 175 D CB 0.826 41.600 40.800 -0.043 0.000 1.179 175 D HN 0.396 nan 8.370 nan 0.000 0.474 176 E N 1.716 121.920 120.200 0.007 0.000 2.031 176 E HA -0.202 4.148 4.350 0.001 0.000 0.193 176 E C 1.856 178.472 176.600 0.027 0.000 0.994 176 E CA 1.979 58.389 56.400 0.017 0.000 0.800 176 E CB -0.183 29.524 29.700 0.012 0.000 0.752 176 E HN 0.513 nan 8.360 nan 0.000 0.447 177 S N -0.787 114.925 115.700 0.021 0.000 2.428 177 S HA -0.142 4.328 4.470 0.001 0.000 0.230 177 S C 2.413 177.035 174.600 0.036 0.000 1.014 177 S CA 0.822 59.038 58.200 0.027 0.000 0.957 177 S CB -0.801 62.411 63.200 0.019 0.000 0.784 177 S HN 0.502 nan 8.310 nan 0.000 0.499 178 C N 2.250 121.568 119.300 0.029 0.000 2.440 178 C HA 0.090 4.551 4.460 0.001 0.000 0.278 178 C C 2.785 177.815 174.990 0.065 0.000 1.295 178 C CA 1.266 60.304 59.018 0.034 0.000 1.738 178 C CB -1.246 26.497 27.740 0.005 0.000 1.987 178 C HN 0.785 nan 8.230 nan 0.000 0.492 179 K N 0.309 120.748 120.400 0.066 0.000 2.026 179 K HA -0.171 4.149 4.320 0.001 0.000 0.208 179 K C 1.537 178.281 176.600 0.241 0.000 1.048 179 K CA 2.305 58.677 56.287 0.141 0.000 0.929 179 K CB -0.479 32.065 32.500 0.074 0.000 0.713 179 K HN 0.397 nan 8.250 nan 0.000 0.439 180 D N 0.501 120.979 120.400 0.131 0.000 2.221 180 D HA -0.122 4.519 4.640 0.001 0.000 0.204 180 D C 2.024 178.367 176.300 0.071 0.000 0.982 180 D CA 0.962 55.015 54.000 0.089 0.000 0.857 180 D CB -0.001 40.830 40.800 0.052 0.000 0.934 180 D HN 0.301 nan 8.370 nan 0.000 0.475 181 R N 0.102 120.649 120.500 0.078 0.000 2.052 181 R HA -0.059 4.282 4.340 0.001 0.000 0.226 181 R C 2.070 178.418 176.300 0.080 0.000 1.145 181 R CA 0.934 57.070 56.100 0.061 0.000 0.952 181 R CB -0.094 30.235 30.300 0.049 0.000 0.847 181 R HN 0.005 nan 8.270 nan 0.000 0.431 182 E N 0.666 120.953 120.200 0.146 0.000 2.347 182 E HA -0.090 4.260 4.350 0.001 0.000 0.196 182 E C 1.648 178.351 176.600 0.171 0.000 1.008 182 E CA 0.276 56.798 56.400 0.203 0.000 0.852 182 E CB -0.014 29.852 29.700 0.276 0.000 0.783 182 E HN 0.068 nan 8.360 nan 0.000 0.505 183 V N 0.594 120.561 119.914 0.087 0.000 2.568 183 V HA -0.312 3.808 4.120 0.001 0.000 0.253 183 V C 1.163 177.135 176.094 -0.203 0.000 1.072 183 V CA 2.398 64.505 62.300 -0.320 0.000 1.084 183 V CB -0.490 31.126 31.823 -0.346 0.000 0.676 183 V HN 0.367 nan 8.190 nan 0.000 0.469 184 N N 0.354 119.013 118.700 -0.069 0.000 2.270 184 N HA -0.014 4.726 4.740 0.001 0.000 0.181 184 N C 1.914 177.419 175.510 -0.008 0.000 1.016 184 N CA 1.260 54.288 53.050 -0.037 0.000 0.870 184 N CB -0.403 38.080 38.487 -0.007 0.000 0.979 184 N HN 0.557 nan 8.380 nan 0.000 0.431 185 A N 0.510 123.348 122.820 0.030 0.000 1.902 185 A HA -0.092 4.228 4.320 0.001 0.000 0.217 185 A C 2.299 179.923 177.584 0.065 0.000 1.181 185 A CA 1.214 53.333 52.037 0.138 0.000 0.623 185 A CB -0.772 18.384 19.000 0.260 0.000 0.818 185 A HN 0.107 nan 8.150 nan 0.000 0.443 186 V N 0.246 120.052 119.914 -0.179 0.000 2.307 186 V HA -0.233 3.887 4.120 0.001 0.000 0.245 186 V C 2.310 178.300 176.094 -0.174 0.000 1.045 186 V CA 2.402 64.508 62.300 -0.324 0.000 1.024 186 V CB -0.818 30.649 31.823 -0.593 0.000 0.651 186 V HN 0.683 nan 8.190 nan 0.000 0.449 187 D N -0.262 120.053 120.400 -0.142 0.000 2.123 187 D HA -0.200 4.441 4.640 0.001 0.000 0.196 187 D C 2.396 178.689 176.300 -0.011 0.000 0.992 187 D CA 1.683 55.654 54.000 -0.049 0.000 0.833 187 D CB -0.124 40.647 40.800 -0.047 0.000 0.954 187 D HN 0.339 nan 8.370 nan 0.000 0.455 188 S N -0.614 115.076 115.700 -0.017 0.000 2.368 188 S HA -0.215 4.255 4.470 0.001 0.000 0.224 188 S C 1.904 176.454 174.600 -0.083 0.000 1.029 188 S CA 1.611 59.810 58.200 -0.001 0.000 0.988 188 S CB -0.453 62.788 63.200 0.069 0.000 0.838 188 S HN 0.370 nan 8.310 nan 0.000 0.462 189 E N -0.379 119.691 120.200 -0.216 0.000 2.065 189 E HA -0.316 4.034 4.350 0.001 0.000 0.201 189 E C 2.004 178.389 176.600 -0.358 0.000 1.016 189 E CA 1.881 57.943 56.400 -0.563 0.000 0.818 189 E CB -0.382 28.967 29.700 -0.585 0.000 0.749 189 E HN 0.790 nan 8.360 nan 0.000 0.453 190 H N 0.134 119.035 119.070 -0.281 0.000 2.326 190 H HA -0.094 4.462 4.556 0.001 0.000 0.301 190 H C 1.961 177.170 175.328 -0.198 0.000 1.081 190 H CA 2.031 57.938 56.048 -0.235 0.000 1.334 190 H CB -0.167 29.537 29.762 -0.096 0.000 1.385 190 H HN 0.129 nan 8.280 nan 0.000 0.504 191 E N 0.988 121.017 120.200 -0.285 0.000 2.097 191 E HA -0.225 4.126 4.350 0.001 0.000 0.196 191 E C 2.237 178.719 176.600 -0.196 0.000 1.000 191 E CA 1.934 58.183 56.400 -0.252 0.000 0.804 191 E CB -0.300 29.347 29.700 -0.090 0.000 0.740 191 E HN 0.661 nan 8.360 nan 0.000 0.454 192 K N -0.341 119.958 120.400 -0.168 0.000 2.209 192 K HA -0.143 4.177 4.320 0.001 0.000 0.204 192 K C 1.277 177.812 176.600 -0.108 0.000 1.048 192 K CA 1.580 57.806 56.287 -0.101 0.000 0.940 192 K CB -0.124 32.316 32.500 -0.100 0.000 0.729 192 K HN 0.034 nan 8.250 nan 0.000 0.451 193 N N 0.715 119.246 118.700 -0.283 0.000 2.416 193 N HA -0.041 4.699 4.740 0.001 0.000 0.177 193 N C 1.717 177.241 175.510 0.023 0.000 1.036 193 N CA 0.597 53.474 53.050 -0.290 0.000 0.901 193 N CB 0.011 38.072 38.487 -0.709 0.000 0.976 193 N HN -0.011 nan 8.380 nan 0.000 0.444 194 V N 1.044 120.860 119.914 -0.163 0.000 2.324 194 V HA -0.174 3.947 4.120 0.001 0.000 0.250 194 V C 1.699 177.876 176.094 0.137 0.000 1.060 194 V CA 1.318 63.572 62.300 -0.077 0.000 1.042 194 V CB -0.262 31.395 31.823 -0.275 0.000 0.650 194 V HN 0.321 nan 8.190 nan 0.000 0.450 195 M N -0.359 119.271 119.600 0.050 0.000 2.419 195 M HA 0.222 4.702 4.480 0.001 0.000 0.252 195 M C 0.525 176.860 176.300 0.058 0.000 1.143 195 M CA 0.007 55.283 55.300 -0.041 0.000 0.985 195 M CB -1.149 31.209 32.600 -0.402 0.000 1.489 195 M HN 0.366 nan 8.290 nan 0.000 0.484 196 N N 1.231 120.044 118.700 0.188 0.000 2.422 196 N HA 0.051 4.792 4.740 0.001 0.000 0.264 196 N C 0.598 176.215 175.510 0.177 0.000 1.063 196 N CA -0.086 53.099 53.050 0.225 0.000 0.959 196 N CB 1.291 39.993 38.487 0.360 0.000 1.087 196 N HN 0.018 nan 8.380 nan 0.000 0.483 197 D N 2.878 123.339 120.400 0.103 0.000 2.149 197 D HA -0.188 4.452 4.640 0.001 0.000 0.198 197 D C 1.590 177.886 176.300 -0.006 0.000 0.990 197 D CA 1.167 55.195 54.000 0.047 0.000 0.839 197 D CB -0.095 40.734 40.800 0.048 0.000 0.948 197 D HN 0.704 nan 8.370 nan 0.000 0.460 198 A N 0.430 123.240 122.820 -0.016 0.000 1.902 198 A HA -0.168 4.153 4.320 0.001 0.000 0.217 198 A C 2.092 179.533 177.584 -0.238 0.000 1.181 198 A CA 1.137 53.083 52.037 -0.153 0.000 0.623 198 A CB -1.148 17.723 19.000 -0.214 0.000 0.818 198 A HN 0.263 nan 8.150 nan 0.000 0.443 199 W N -0.243 120.979 121.300 -0.130 0.000 2.381 199 W HA -0.062 4.598 4.660 0.000 0.000 0.301 199 W C 2.612 178.829 176.519 -0.504 0.000 1.205 199 W CA 1.397 58.625 57.345 -0.195 0.000 1.285 199 W CB -0.250 29.201 29.460 -0.015 0.000 1.133 199 W HN 0.237 nan 8.180 nan 0.000 0.521 200 R N -0.445 119.873 120.500 -0.304 0.000 2.094 200 R HA -0.215 4.125 4.340 0.001 0.000 0.239 200 R C 2.033 178.133 176.300 -0.333 0.000 1.137 200 R CA 1.607 57.439 56.100 -0.446 0.000 0.943 200 R CB -1.174 29.053 30.300 -0.122 0.000 0.850 200 R HN 0.102 nan 8.270 nan 0.000 0.433 201 L N -0.033 121.046 121.223 -0.241 0.000 2.017 201 L HA -0.163 4.177 4.340 0.001 0.000 0.208 201 L C 2.151 178.842 176.870 -0.298 0.000 1.073 201 L CA 1.518 56.183 54.840 -0.291 0.000 0.745 201 L CB -1.018 40.839 42.059 -0.337 0.000 0.894 201 L HN 0.114 nan 8.230 nan 0.000 0.432 202 F N 0.431 120.137 119.950 -0.407 0.000 2.091 202 F HA -0.319 4.208 4.527 0.001 0.000 0.299 202 F C 2.633 178.231 175.800 -0.335 0.000 1.103 202 F CA 2.097 59.869 58.000 -0.381 0.000 1.228 202 F CB -0.150 38.600 39.000 -0.416 0.000 0.984 202 F HN 0.162 nan 8.300 nan 0.000 0.477 203 Q N 0.190 119.831 119.800 -0.266 0.000 2.331 203 Q HA -0.041 4.299 4.340 0.001 0.000 0.203 203 Q C 1.867 177.689 176.000 -0.296 0.000 0.944 203 Q CA 1.198 56.837 55.803 -0.273 0.000 0.892 203 Q CB -0.319 28.439 28.738 0.033 0.000 0.983 203 Q HN 0.583 nan 8.270 nan 0.000 0.482 204 L N 0.291 121.310 121.223 -0.341 0.000 2.109 204 L HA -0.029 4.311 4.340 0.001 0.000 0.207 204 L C 2.097 178.693 176.870 -0.457 0.000 1.086 204 L CA 1.920 56.523 54.840 -0.394 0.000 0.760 204 L CB -0.462 41.323 42.059 -0.457 0.000 0.910 204 L HN 0.353 nan 8.230 nan 0.000 0.437 205 E N -0.169 119.753 120.200 -0.464 0.000 2.097 205 E HA -0.305 4.045 4.350 0.001 0.000 0.196 205 E C 2.070 178.490 176.600 -0.301 0.000 1.000 205 E CA 1.692 57.846 56.400 -0.410 0.000 0.804 205 E CB -0.044 29.424 29.700 -0.387 0.000 0.740 205 E HN 0.533 nan 8.360 nan 0.000 0.454 206 K N 0.051 120.144 120.400 -0.512 0.000 2.032 206 K HA -0.159 4.161 4.320 0.001 0.000 0.209 206 K C 2.193 178.660 176.600 -0.221 0.000 1.048 206 K CA 1.307 57.250 56.287 -0.573 0.000 0.927 206 K CB -0.251 31.771 32.500 -0.797 0.000 0.712 206 K HN 0.171 nan 8.250 nan 0.000 0.441 207 A N 1.146 123.858 122.820 -0.181 0.000 2.125 207 A HA -0.116 4.204 4.320 0.001 0.000 0.219 207 A C 1.961 179.517 177.584 -0.047 0.000 1.156 207 A CA 1.884 53.880 52.037 -0.068 0.000 0.671 207 A CB -0.644 18.317 19.000 -0.065 0.000 0.794 207 A HN 0.501 nan 8.150 nan 0.000 0.459 208 T N -4.037 110.443 114.554 -0.123 0.000 3.092 208 T HA 0.465 4.815 4.350 0.001 0.000 0.258 208 T C 0.841 175.549 174.700 0.013 0.000 1.031 208 T CA 0.373 62.448 62.100 -0.042 0.000 0.925 208 T CB 0.283 68.985 68.868 -0.278 0.000 1.036 208 T HN 0.357 nan 8.240 nan 0.000 0.544 209 G N 1.287 110.041 108.800 -0.077 0.000 2.671 209 G HA2 0.401 4.362 3.960 0.001 0.000 0.275 209 G HA3 0.401 4.362 3.960 0.001 0.000 0.275 209 G C -0.484 174.187 174.900 -0.381 0.000 1.368 209 G CA -0.984 43.912 45.100 -0.340 0.000 1.044 209 G HN 0.280 nan 8.290 nan 0.000 0.543 210 N N 1.204 119.597 118.700 -0.512 0.000 2.374 210 N HA 0.067 4.807 4.740 0.001 0.000 0.269 210 N C -1.242 174.315 175.510 0.079 0.000 1.310 210 N CA -1.484 51.526 53.050 -0.065 0.000 0.877 210 N CB 1.311 39.829 38.487 0.051 0.000 1.096 210 N HN 0.013 nan 8.380 nan 0.000 0.484 211 P HA -0.038 nan 4.420 nan 0.000 0.242 211 P C 0.266 177.647 177.300 0.134 0.000 1.197 211 P CA 0.876 64.051 63.100 0.125 0.000 0.765 211 P CB 0.341 32.114 31.700 0.122 0.000 0.936 212 K N -1.530 118.954 120.400 0.141 0.000 2.379 212 K HA 0.017 4.337 4.320 0.001 0.000 0.194 212 K C 0.779 177.459 176.600 0.133 0.000 1.031 212 K CA 0.049 56.411 56.287 0.126 0.000 1.037 212 K CB -0.088 32.478 32.500 0.109 0.000 0.824 212 K HN 0.336 nan 8.250 nan 0.000 0.516 213 H N 2.025 121.137 119.070 0.070 0.000 2.646 213 H HA 0.078 4.635 4.556 0.001 0.000 0.325 213 H C -1.940 173.445 175.328 0.095 0.000 1.075 213 H CA -1.825 54.261 56.048 0.063 0.000 1.421 213 H CB 1.787 31.536 29.762 -0.022 0.000 1.461 213 H HN -0.207 nan 8.280 nan 0.000 0.525 214 P HA -0.178 nan 4.420 nan 0.000 0.220 214 P C 1.407 178.849 177.300 0.236 0.000 1.144 214 P CA 0.949 64.166 63.100 0.195 0.000 0.800 214 P CB -0.275 31.544 31.700 0.199 0.000 0.772 215 F N 1.181 121.254 119.950 0.205 0.000 2.250 215 F HA -0.221 4.306 4.527 0.000 0.000 0.301 215 F C 2.031 177.817 175.800 -0.025 0.000 1.077 215 F CA 1.504 59.509 58.000 0.008 0.000 1.348 215 F CB -0.266 38.586 39.000 -0.248 0.000 1.040 215 F HN -0.020 nan 8.300 nan 0.000 0.509 216 S N -0.584 115.157 115.700 0.068 0.000 2.515 216 S HA -0.063 4.408 4.470 0.001 0.000 0.231 216 S C 0.800 175.405 174.600 0.008 0.000 0.987 216 S CA -0.039 58.151 58.200 -0.016 0.000 0.936 216 S CB -0.619 62.636 63.200 0.091 0.000 0.766 216 S HN 0.284 nan 8.310 nan 0.000 0.528 217 K N 1.186 121.600 120.400 0.023 0.000 2.414 217 K HA 0.161 4.482 4.320 0.001 0.000 0.272 217 K C -0.548 176.078 176.600 0.044 0.000 0.993 217 K CA -0.391 55.933 56.287 0.061 0.000 0.964 217 K CB 0.194 32.724 32.500 0.051 0.000 0.925 217 K HN 0.281 nan 8.250 nan 0.000 0.487 218 F N 1.921 121.730 119.950 -0.235 0.000 2.413 218 F HA 0.267 4.795 4.527 0.001 0.000 0.359 218 F C 0.947 176.576 175.800 -0.285 0.000 1.122 218 F CA -0.918 56.812 58.000 -0.452 0.000 1.160 218 F CB 0.612 38.816 39.000 -1.325 0.000 1.146 218 F HN 0.619 nan 8.300 nan 0.000 0.514 219 G N 3.210 111.854 108.800 -0.261 0.000 2.453 219 G HA2 -0.124 3.837 3.960 0.001 0.000 0.215 219 G HA3 -0.124 3.837 3.960 0.001 0.000 0.215 219 G C 1.224 175.843 174.900 -0.468 0.000 1.147 219 G CA 0.858 45.813 45.100 -0.241 0.000 0.802 219 G HN 0.658 nan 8.290 nan 0.000 0.535 220 T N 0.459 114.522 114.554 -0.818 0.000 2.896 220 T HA 0.357 4.708 4.350 0.001 0.000 0.263 220 T C 1.530 175.850 174.700 -0.633 0.000 1.050 220 T CA 0.982 62.720 62.100 -0.602 0.000 1.140 220 T CB -0.412 68.209 68.868 -0.412 0.000 0.877 220 T HN 1.002 nan 8.240 nan 0.000 0.457 221 G N 2.649 110.611 108.800 -1.397 0.000 2.877 221 G HA2 -0.044 3.916 3.960 0.001 0.000 0.279 221 G HA3 -0.044 3.916 3.960 0.001 0.000 0.279 221 G C -0.531 174.074 174.900 -0.492 0.000 1.431 221 G CA -0.223 44.357 45.100 -0.867 0.000 0.883 221 G HN 0.965 nan 8.290 nan 0.000 0.547 222 N N -2.268 116.268 118.700 -0.274 0.000 3.261 222 N HA 0.337 5.077 4.740 0.001 0.000 0.248 222 N C 0.660 176.093 175.510 -0.128 0.000 1.498 222 N CA 0.028 52.999 53.050 -0.132 0.000 0.884 222 N CB 0.697 39.188 38.487 0.006 0.000 1.428 222 N HN 0.799 nan 8.380 nan 0.000 0.517 223 K N -1.028 119.332 120.400 -0.067 0.000 2.103 223 K HA -0.196 4.124 4.320 0.001 0.000 0.207 223 K C 1.367 177.965 176.600 -0.003 0.000 1.048 223 K CA 1.345 57.589 56.287 -0.072 0.000 0.930 223 K CB -0.397 32.087 32.500 -0.028 0.000 0.716 223 K HN 0.501 nan 8.250 nan 0.000 0.444 224 Y N 1.446 121.737 120.300 -0.016 0.000 2.145 224 Y HA -0.241 4.309 4.550 0.001 0.000 0.286 224 Y C 2.403 178.320 175.900 0.028 0.000 1.145 224 Y CA 2.408 60.525 58.100 0.029 0.000 1.148 224 Y CB -0.647 37.867 38.460 0.090 0.000 0.981 224 Y HN 0.268 nan 8.280 nan 0.000 0.507 225 T N -2.695 111.860 114.554 0.001 0.000 3.023 225 T HA -0.032 4.318 4.350 0.001 0.000 0.266 225 T C 1.307 175.899 174.700 -0.180 0.000 1.093 225 T CA 1.068 63.111 62.100 -0.095 0.000 1.129 225 T CB -0.170 68.695 68.868 -0.006 0.000 0.899 225 T HN 0.219 nan 8.240 nan 0.000 0.491 226 L N -0.350 120.744 121.223 -0.216 0.000 2.781 226 L HA 0.549 4.890 4.340 0.001 0.000 0.245 226 L C 1.744 178.498 176.870 -0.193 0.000 1.118 226 L CA 0.470 55.157 54.840 -0.255 0.000 0.918 226 L CB 0.358 42.103 42.059 -0.524 0.000 1.246 226 L HN 0.452 nan 8.230 nan 0.000 0.526 227 E N -1.832 118.265 120.200 -0.172 0.000 3.844 227 E HA -0.022 4.328 4.350 0.001 0.000 0.201 227 E C 1.490 178.022 176.600 -0.113 0.000 1.278 227 E CA 0.815 57.148 56.400 -0.112 0.000 1.565 227 E CB 0.308 29.952 29.700 -0.094 0.000 1.543 227 E HN 0.103 nan 8.360 nan 0.000 0.584 228 T N 1.587 116.070 114.554 -0.118 0.000 2.607 228 T HA -0.207 4.144 4.350 0.001 0.000 0.267 228 T C 1.899 176.478 174.700 -0.202 0.000 1.049 228 T CA 1.941 63.978 62.100 -0.105 0.000 1.162 228 T CB -0.321 68.544 68.868 -0.004 0.000 0.863 228 T HN -0.008 nan 8.240 nan 0.000 0.424 229 R N 1.708 121.940 120.500 -0.446 0.000 2.075 229 R HA 0.015 4.355 4.340 0.001 0.000 0.232 229 R C -0.917 175.261 176.300 -0.203 0.000 1.126 229 R CA 1.101 56.937 56.100 -0.440 0.000 0.963 229 R CB -1.506 28.312 30.300 -0.802 0.000 0.858 229 R HN 0.312 nan 8.270 nan 0.000 0.435 230 P HA -0.094 nan 4.420 nan 0.000 0.215 230 P C 0.328 177.593 177.300 -0.059 0.000 1.157 230 P CA 1.791 64.838 63.100 -0.088 0.000 0.874 230 P CB -0.202 31.454 31.700 -0.073 0.000 0.790 231 N N -0.757 117.907 118.700 -0.060 0.000 2.104 231 N HA -0.232 4.508 4.740 0.001 0.000 0.190 231 N C 1.982 177.475 175.510 -0.028 0.000 1.024 231 N CA 0.741 53.770 53.050 -0.035 0.000 0.853 231 N CB -0.393 38.076 38.487 -0.029 0.000 1.008 231 N HN 0.260 nan 8.380 nan 0.000 0.424 232 Q N 1.282 121.060 119.800 -0.036 0.000 2.135 232 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 232 Q C 0.948 176.940 176.000 -0.013 0.000 0.981 232 Q CA 1.405 57.197 55.803 -0.018 0.000 0.856 232 Q CB 0.119 28.847 28.738 -0.015 0.000 0.902 232 Q HN 0.428 nan 8.270 nan 0.000 0.425 233 E N -1.262 118.925 120.200 -0.022 0.000 2.502 233 E HA 0.072 4.423 4.350 0.001 0.000 0.194 233 E C 0.571 177.167 176.600 -0.007 0.000 1.062 233 E CA 0.278 56.672 56.400 -0.010 0.000 0.867 233 E CB 0.293 29.985 29.700 -0.013 0.000 0.888 233 E HN 0.617 nan 8.360 nan 0.000 0.510 234 G N 1.823 110.617 108.800 -0.010 0.000 2.160 234 G HA2 -0.303 3.657 3.960 0.001 0.000 0.251 234 G HA3 -0.303 3.657 3.960 0.001 0.000 0.251 234 G C 0.194 175.089 174.900 -0.007 0.000 1.008 234 G CA 0.010 45.106 45.100 -0.006 0.000 0.724 234 G HN 0.244 nan 8.290 nan 0.000 0.514 235 I N 0.708 121.271 120.570 -0.011 0.000 2.474 235 I HA 0.240 4.410 4.170 0.001 0.000 0.287 235 I C 0.078 176.188 176.117 -0.011 0.000 1.048 235 I CA -0.444 60.850 61.300 -0.010 0.000 1.383 235 I CB 1.081 39.074 38.000 -0.012 0.000 1.412 235 I HN 0.056 nan 8.210 nan 0.000 0.531 236 D N 6.009 126.403 120.400 -0.010 0.000 2.396 236 D HA 0.168 4.809 4.640 0.001 0.000 0.225 236 D C 0.667 176.956 176.300 -0.019 0.000 1.121 236 D CA -0.321 53.671 54.000 -0.012 0.000 0.853 236 D CB 1.563 42.355 40.800 -0.013 0.000 1.043 236 D HN 0.227 nan 8.370 nan 0.000 0.500 237 V N 5.381 125.288 119.914 -0.011 0.000 2.379 237 V HA -0.146 3.974 4.120 0.001 0.000 0.245 237 V C 2.647 178.700 176.094 -0.069 0.000 1.044 237 V CA 1.112 63.407 62.300 -0.008 0.000 1.036 237 V CB -0.418 31.442 31.823 0.061 0.000 0.664 237 V HN 0.580 nan 8.190 nan 0.000 0.453 238 R N -0.159 120.302 120.500 -0.065 0.000 2.112 238 R HA -0.260 4.080 4.340 0.001 0.000 0.242 238 R C 2.442 178.645 176.300 -0.161 0.000 1.137 238 R CA 2.267 58.298 56.100 -0.115 0.000 0.944 238 R CB -0.392 29.883 30.300 -0.042 0.000 0.857 238 R HN 0.608 nan 8.270 nan 0.000 0.435 239 Q N -0.283 119.462 119.800 -0.091 0.000 2.084 239 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 239 Q C 1.982 177.925 176.000 -0.095 0.000 0.978 239 Q CA 1.190 56.946 55.803 -0.078 0.000 0.844 239 Q CB 0.046 28.761 28.738 -0.039 0.000 0.898 239 Q HN 0.317 nan 8.270 nan 0.000 0.426 240 E N 0.585 120.735 120.200 -0.083 0.000 2.110 240 E HA -0.156 4.195 4.350 0.001 0.000 0.193 240 E C 2.107 178.644 176.600 -0.105 0.000 0.988 240 E CA 0.772 57.143 56.400 -0.048 0.000 0.804 240 E CB -0.133 29.556 29.700 -0.018 0.000 0.745 240 E HN 0.382 nan 8.360 nan 0.000 0.458 241 L N 0.372 121.410 121.223 -0.310 0.000 2.017 241 L HA -0.173 4.167 4.340 0.001 0.000 0.208 241 L C 2.610 179.064 176.870 -0.694 0.000 1.073 241 L CA 0.826 55.279 54.840 -0.645 0.000 0.745 241 L CB -0.443 40.907 42.059 -1.181 0.000 0.894 241 L HN 0.086 nan 8.230 nan 0.000 0.432 242 L N -0.125 120.754 121.223 -0.574 0.000 2.042 242 L HA -0.263 4.077 4.340 0.001 0.000 0.210 242 L C 2.711 179.568 176.870 -0.022 0.000 1.076 242 L CA 1.561 56.271 54.840 -0.215 0.000 0.749 242 L CB -0.492 41.517 42.059 -0.083 0.000 0.893 242 L HN 0.267 nan 8.230 nan 0.000 0.432 243 K N -0.162 120.224 120.400 -0.023 0.000 2.062 243 K HA -0.210 4.110 4.320 0.001 0.000 0.205 243 K C 2.232 178.872 176.600 0.066 0.000 1.051 243 K CA 1.310 57.608 56.287 0.019 0.000 0.941 243 K CB -0.209 32.299 32.500 0.013 0.000 0.719 243 K HN 0.091 nan 8.250 nan 0.000 0.440 244 F N 1.718 121.670 119.950 0.004 0.000 2.102 244 F HA -0.272 4.255 4.527 0.000 0.000 0.298 244 F C 2.604 178.517 175.800 0.189 0.000 1.105 244 F CA 1.965 60.053 58.000 0.146 0.000 1.239 244 F CB -0.334 38.752 39.000 0.142 0.000 0.991 244 F HN 0.245 nan 8.300 nan 0.000 0.474 245 H N -0.854 118.338 119.070 0.205 0.000 2.319 245 H HA -0.183 4.373 4.556 0.000 0.000 0.299 245 H C 2.502 177.914 175.328 0.140 0.000 1.092 245 H CA 1.823 57.930 56.048 0.097 0.000 1.302 245 H CB -0.529 29.265 29.762 0.054 0.000 1.373 245 H HN 0.385 nan 8.280 nan 0.000 0.497 246 S N -0.145 115.680 115.700 0.207 0.000 2.359 246 S HA -0.161 4.309 4.470 0.001 0.000 0.224 246 S C 2.404 176.977 174.600 -0.046 0.000 1.035 246 S CA 1.539 59.796 58.200 0.094 0.000 1.018 246 S CB -0.516 62.720 63.200 0.060 0.000 0.876 246 S HN 0.598 nan 8.310 nan 0.000 0.448 247 A N -1.029 121.686 122.820 -0.175 0.000 1.969 247 A HA 0.095 4.415 4.320 0.001 0.000 0.218 247 A C 1.680 178.960 177.584 -0.507 0.000 1.169 247 A CA 1.277 53.056 52.037 -0.430 0.000 0.635 247 A CB -0.535 18.042 19.000 -0.704 0.000 0.810 247 A HN 0.765 nan 8.150 nan 0.000 0.445 248 Y N -4.121 116.087 120.300 -0.153 0.000 2.430 248 Y HA 0.213 4.763 4.550 0.000 0.000 0.254 248 Y C 0.277 176.173 175.900 -0.006 0.000 1.088 248 Y CA -0.514 57.494 58.100 -0.152 0.000 1.267 248 Y CB 0.451 38.677 38.460 -0.391 0.000 1.204 248 Y HN 0.263 nan 8.280 nan 0.000 0.515 249 Y N 1.537 121.805 120.300 -0.053 0.000 2.851 249 Y HA 0.141 4.692 4.550 0.000 0.000 0.369 249 Y C 0.694 176.556 175.900 -0.064 0.000 1.226 249 Y CA -0.535 57.504 58.100 -0.102 0.000 1.949 249 Y CB 0.105 38.295 38.460 -0.450 0.000 2.059 249 Y HN -0.120 nan 8.280 nan 0.000 0.420 250 S N -0.059 115.655 115.700 0.022 0.000 2.525 250 S HA 0.137 4.607 4.470 0.001 0.000 0.290 250 S C 1.330 175.932 174.600 0.003 0.000 1.152 250 S CA -0.227 57.982 58.200 0.014 0.000 1.072 250 S CB 1.142 64.338 63.200 -0.007 0.000 1.027 250 S HN 0.628 nan 8.310 nan 0.000 0.500 251 S N 3.612 119.325 115.700 0.022 0.000 2.402 251 S HA -0.216 4.254 4.470 0.001 0.000 0.233 251 S C 1.668 176.271 174.600 0.005 0.000 1.030 251 S CA 1.625 59.837 58.200 0.020 0.000 1.003 251 S CB -0.893 62.331 63.200 0.040 0.000 0.813 251 S HN 0.915 nan 8.310 nan 0.000 0.477 252 N N 1.822 120.523 118.700 0.001 0.000 2.520 252 N HA -0.047 4.694 4.740 0.001 0.000 0.185 252 N C 1.342 176.860 175.510 0.013 0.000 1.068 252 N CA 0.804 53.854 53.050 -0.001 0.000 0.911 252 N CB -0.430 38.050 38.487 -0.013 0.000 0.961 252 N HN 0.523 nan 8.380 nan 0.000 0.446 253 L N -0.356 120.874 121.223 0.012 0.000 2.728 253 L HA 0.376 4.716 4.340 0.001 0.000 0.238 253 L C 0.358 177.302 176.870 0.123 0.000 1.143 253 L CA -0.079 54.776 54.840 0.026 0.000 0.937 253 L CB 0.073 42.104 42.059 -0.048 0.000 1.225 253 L HN 0.033 nan 8.230 nan 0.000 0.507 254 M N 0.082 119.739 119.600 0.094 0.000 2.508 254 M HA 0.635 5.115 4.480 0.001 0.000 0.327 254 M C -0.416 175.874 176.300 -0.017 0.000 1.160 254 M CA -0.276 55.053 55.300 0.049 0.000 0.980 254 M CB 2.446 34.984 32.600 -0.103 0.000 1.693 254 M HN -0.045 nan 8.290 nan 0.000 0.452 255 A N 2.243 124.995 122.820 -0.113 0.000 2.393 255 A HA 0.857 5.177 4.320 0.001 0.000 0.306 255 A C -1.185 176.261 177.584 -0.230 0.000 1.050 255 A CA -0.667 51.205 52.037 -0.275 0.000 0.724 255 A CB 1.455 20.125 19.000 -0.549 0.000 1.248 255 A HN 0.604 nan 8.150 nan 0.000 0.424 256 V N 0.748 120.505 119.914 -0.262 0.000 2.735 256 V HA 0.621 4.742 4.120 0.001 0.000 0.310 256 V C -0.604 175.353 176.094 -0.228 0.000 1.061 256 V CA -0.577 61.538 62.300 -0.308 0.000 0.913 256 V CB 1.610 33.091 31.823 -0.571 0.000 1.005 256 V HN 1.174 nan 8.190 nan 0.000 0.428 257 C N 5.403 124.591 119.300 -0.187 0.000 2.431 257 C HA 0.857 5.318 4.460 0.001 0.000 0.321 257 C C -0.880 174.020 174.990 -0.151 0.000 1.202 257 C CA -0.150 58.777 59.018 -0.152 0.000 1.398 257 C CB 0.606 28.258 27.740 -0.145 0.000 2.047 257 C HN 0.725 nan 8.230 nan 0.000 0.465 258 V N 7.154 127.001 119.914 -0.111 0.000 2.531 258 V HA 0.547 4.667 4.120 0.001 0.000 0.301 258 V C -0.436 175.624 176.094 -0.056 0.000 1.034 258 V CA -0.439 61.809 62.300 -0.087 0.000 0.865 258 V CB 1.589 33.397 31.823 -0.025 0.000 0.995 258 V HN 0.870 nan 8.190 nan 0.000 0.424 259 L N 4.562 125.752 121.223 -0.056 0.000 2.349 259 L HA 1.000 5.341 4.340 0.001 0.000 0.278 259 L C 0.098 176.966 176.870 -0.003 0.000 0.996 259 L CA 0.235 55.061 54.840 -0.024 0.000 0.825 259 L CB 1.521 43.587 42.059 0.012 0.000 1.243 259 L HN 0.812 nan 8.230 nan 0.000 0.412 260 G N 3.263 112.062 108.800 -0.001 0.000 2.645 260 G HA2 0.292 4.252 3.960 0.001 0.000 0.292 260 G HA3 0.292 4.252 3.960 0.001 0.000 0.292 260 G C -0.235 174.666 174.900 0.002 0.000 1.415 260 G CA -0.662 44.455 45.100 0.028 0.000 0.785 260 G HN 0.587 nan 8.290 nan 0.000 0.483 261 R N -0.342 120.168 120.500 0.018 0.000 2.148 261 R HA 0.043 4.383 4.340 0.001 0.000 0.223 261 R C 0.231 176.522 176.300 -0.015 0.000 1.088 261 R CA 0.493 56.579 56.100 -0.024 0.000 0.985 261 R CB -0.031 30.239 30.300 -0.050 0.000 0.880 261 R HN 0.545 nan 8.270 nan 0.000 0.451 262 E N 1.125 121.330 120.200 0.009 0.000 2.459 262 E HA -0.057 4.293 4.350 0.001 0.000 0.264 262 E C 0.186 176.779 176.600 -0.011 0.000 1.055 262 E CA 0.153 56.557 56.400 0.006 0.000 0.957 262 E CB 0.479 30.191 29.700 0.021 0.000 0.952 262 E HN 0.144 nan 8.360 nan 0.000 0.448 263 S N 1.763 117.456 115.700 -0.010 0.000 2.587 263 S HA 0.017 4.487 4.470 0.001 0.000 0.260 263 S C 1.191 175.781 174.600 -0.017 0.000 1.353 263 S CA -0.491 57.698 58.200 -0.018 0.000 0.995 263 S CB 0.372 63.566 63.200 -0.011 0.000 0.912 263 S HN 0.516 nan 8.310 nan 0.000 0.568 264 L N 0.330 121.539 121.223 -0.023 0.000 2.083 264 L HA -0.108 4.233 4.340 0.001 0.000 0.209 264 L C 2.175 179.041 176.870 -0.006 0.000 1.083 264 L CA 1.472 56.300 54.840 -0.019 0.000 0.752 264 L CB -0.687 41.358 42.059 -0.024 0.000 0.899 264 L HN 0.642 nan 8.230 nan 0.000 0.433 265 D N -0.156 120.242 120.400 -0.004 0.000 2.144 265 D HA -0.166 4.475 4.640 0.001 0.000 0.200 265 D C 1.802 178.108 176.300 0.011 0.000 0.978 265 D CA 1.102 55.104 54.000 0.003 0.000 0.833 265 D CB -0.189 40.612 40.800 0.002 0.000 0.961 265 D HN 0.264 nan 8.370 nan 0.000 0.470 266 D N 0.092 120.498 120.400 0.010 0.000 2.144 266 D HA -0.049 4.591 4.640 0.001 0.000 0.200 266 D C 2.304 178.620 176.300 0.028 0.000 0.978 266 D CA 0.297 54.308 54.000 0.018 0.000 0.833 266 D CB -0.200 40.609 40.800 0.016 0.000 0.961 266 D HN 0.214 nan 8.370 nan 0.000 0.470 267 L N 0.477 121.713 121.223 0.023 0.000 2.093 267 L HA -0.134 4.207 4.340 0.001 0.000 0.208 267 L C 2.404 179.299 176.870 0.041 0.000 1.085 267 L CA 1.017 55.877 54.840 0.033 0.000 0.755 267 L CB -0.538 41.530 42.059 0.015 0.000 0.904 267 L HN 0.016 nan 8.230 nan 0.000 0.435 268 T N -0.482 114.090 114.554 0.029 0.000 2.708 268 T HA -0.143 4.207 4.350 0.001 0.000 0.266 268 T C 1.706 176.434 174.700 0.046 0.000 1.037 268 T CA 1.447 63.566 62.100 0.032 0.000 1.146 268 T CB -0.250 68.630 68.868 0.020 0.000 0.865 268 T HN 0.308 nan 8.240 nan 0.000 0.435 269 N N 1.229 119.954 118.700 0.041 0.000 2.166 269 N HA 0.010 4.751 4.740 0.001 0.000 0.186 269 N C 1.856 177.403 175.510 0.062 0.000 1.019 269 N CA 0.661 53.737 53.050 0.044 0.000 0.856 269 N CB -0.566 37.940 38.487 0.032 0.000 0.993 269 N HN 0.301 nan 8.380 nan 0.000 0.426 270 L N 0.604 121.870 121.223 0.072 0.000 2.027 270 L HA -0.116 4.225 4.340 0.001 0.000 0.206 270 L C 1.995 178.957 176.870 0.152 0.000 1.074 270 L CA 1.036 55.934 54.840 0.096 0.000 0.745 270 L CB -0.204 41.914 42.059 0.099 0.000 0.898 270 L HN -0.047 nan 8.230 nan 0.000 0.433 271 V N -0.751 119.268 119.914 0.176 0.000 2.295 271 V HA -0.258 3.862 4.120 0.001 0.000 0.246 271 V C 2.477 178.740 176.094 0.282 0.000 1.049 271 V CA 1.472 63.945 62.300 0.289 0.000 1.024 271 V CB -0.174 31.744 31.823 0.158 0.000 0.648 271 V HN 0.244 nan 8.190 nan 0.000 0.447 272 V N 0.214 120.222 119.914 0.156 0.000 2.282 272 V HA -0.366 3.754 4.120 0.001 0.000 0.249 272 V C 2.441 178.595 176.094 0.101 0.000 1.057 272 V CA 2.632 65.002 62.300 0.117 0.000 1.032 272 V CB -0.732 31.133 31.823 0.071 0.000 0.645 272 V HN 0.608 nan 8.190 nan 0.000 0.447 273 K N -0.173 120.275 120.400 0.081 0.000 2.032 273 K HA -0.168 4.152 4.320 0.001 0.000 0.209 273 K C 1.959 178.566 176.600 0.011 0.000 1.048 273 K CA 1.827 58.140 56.287 0.043 0.000 0.927 273 K CB -0.173 32.348 32.500 0.036 0.000 0.712 273 K HN 0.446 nan 8.250 nan 0.000 0.441 274 L N -0.975 120.248 121.223 -0.001 0.000 2.416 274 L HA 0.087 4.427 4.340 0.001 0.000 0.216 274 L C 1.359 177.981 176.870 -0.412 0.000 1.098 274 L CA 0.260 54.968 54.840 -0.219 0.000 0.840 274 L CB 0.099 41.973 42.059 -0.309 0.000 0.981 274 L HN 0.115 nan 8.230 nan 0.000 0.462 275 F N -1.072 118.918 119.950 0.066 0.000 2.724 275 F HA 0.042 4.569 4.527 0.000 0.000 0.306 275 F C 2.468 178.293 175.800 0.041 0.000 1.100 275 F CA 0.260 58.295 58.000 0.059 0.000 1.255 275 F CB 0.139 39.168 39.000 0.049 0.000 1.072 275 F HN -0.039 nan 8.300 nan 0.000 0.589 276 S N -0.673 115.128 115.700 0.168 0.000 2.515 276 S HA -0.117 4.354 4.470 0.001 0.000 0.231 276 S C 1.585 176.232 174.600 0.079 0.000 0.987 276 S CA 0.854 59.120 58.200 0.110 0.000 0.936 276 S CB -0.201 63.045 63.200 0.077 0.000 0.766 276 S HN 0.179 nan 8.310 nan 0.000 0.528 277 E N 1.309 121.548 120.200 0.065 0.000 2.435 277 E HA 0.180 4.531 4.350 0.001 0.000 0.195 277 E C -0.014 176.625 176.600 0.065 0.000 1.029 277 E CA -0.188 56.238 56.400 0.044 0.000 0.865 277 E CB -0.185 29.522 29.700 0.012 0.000 0.833 277 E HN 0.400 nan 8.360 nan 0.000 0.510 278 V N 2.094 122.071 119.914 0.105 0.000 2.599 278 V HA -0.044 4.076 4.120 0.001 0.000 0.300 278 V C 0.633 176.782 176.094 0.091 0.000 1.034 278 V CA 0.070 62.448 62.300 0.129 0.000 1.115 278 V CB 0.848 32.785 31.823 0.190 0.000 0.934 278 V HN 0.162 nan 8.190 nan 0.000 0.485 279 E N 4.267 124.517 120.200 0.083 0.000 2.331 279 E HA 0.144 4.495 4.350 0.001 0.000 0.272 279 E C -0.124 176.501 176.600 0.042 0.000 1.036 279 E CA -0.617 55.816 56.400 0.055 0.000 0.864 279 E CB 0.679 30.410 29.700 0.050 0.000 1.035 279 E HN 0.692 nan 8.360 nan 0.000 0.408 280 N N 3.643 122.359 118.700 0.026 0.000 2.426 280 N HA 0.136 4.876 4.740 0.001 0.000 0.275 280 N C -0.690 174.820 175.510 -0.001 0.000 1.019 280 N CA -0.155 52.902 53.050 0.012 0.000 0.941 280 N CB 1.200 39.692 38.487 0.009 0.000 1.123 280 N HN 0.456 nan 8.380 nan 0.000 0.486 281 K N 1.696 122.089 120.400 -0.013 0.000 2.413 281 K HA 0.288 4.608 4.320 0.001 0.000 0.204 281 K C -0.314 176.263 176.600 -0.039 0.000 1.041 281 K CA -0.220 56.049 56.287 -0.029 0.000 1.082 281 K CB -0.061 32.413 32.500 -0.044 0.000 0.871 281 K HN 0.630 nan 8.250 nan 0.000 0.535 282 N N 1.322 120.004 118.700 -0.031 0.000 2.714 282 N HA -0.175 4.566 4.740 0.001 0.000 0.252 282 N C -0.903 174.579 175.510 -0.047 0.000 1.014 282 N CA 0.150 53.179 53.050 -0.035 0.000 0.735 282 N CB -0.527 37.941 38.487 -0.032 0.000 0.924 282 N HN -0.084 nan 8.380 nan 0.000 0.540 283 V N 1.943 121.828 119.914 -0.050 0.000 2.521 283 V HA 0.178 4.299 4.120 0.001 0.000 0.286 283 V C -1.381 174.680 176.094 -0.056 0.000 1.034 283 V CA -0.723 61.544 62.300 -0.055 0.000 1.045 283 V CB 1.030 32.832 31.823 -0.036 0.000 0.974 283 V HN 0.187 nan 8.190 nan 0.000 0.480 284 P HA 0.154 nan 4.420 nan 0.000 0.276 284 P C -0.283 176.952 177.300 -0.110 0.000 1.230 284 P CA -0.402 62.650 63.100 -0.081 0.000 0.776 284 P CB 0.859 32.513 31.700 -0.077 0.000 0.888 285 L N 5.430 126.555 121.223 -0.163 0.000 2.477 285 L HA 0.122 4.463 4.340 0.001 0.000 0.272 285 L C -1.782 174.932 176.870 -0.260 0.000 1.157 285 L CA -1.524 53.162 54.840 -0.257 0.000 0.889 285 L CB 0.159 42.026 42.059 -0.319 0.000 1.158 285 L HN 0.253 nan 8.230 nan 0.000 0.473 286 P HA 0.037 nan 4.420 nan 0.000 0.264 286 P C -1.122 175.870 177.300 -0.513 0.000 1.183 286 P CA 0.244 63.109 63.100 -0.391 0.000 0.763 286 P CB 0.490 32.030 31.700 -0.266 0.000 0.807 287 E N 2.036 121.812 120.200 -0.706 0.000 2.317 287 E HA 0.389 4.739 4.350 0.001 0.000 0.270 287 E C -0.950 175.199 176.600 -0.753 0.000 0.885 287 E CA -0.485 55.628 56.400 -0.478 0.000 0.760 287 E CB 1.716 31.273 29.700 -0.239 0.000 1.227 287 E HN 0.303 nan 8.360 nan 0.000 0.434 288 F N 1.679 121.708 119.950 0.132 0.000 2.584 288 F HA 0.241 4.769 4.527 0.000 0.000 0.328 288 F C -1.587 174.372 175.800 0.265 0.000 1.407 288 F CA -1.572 56.563 58.000 0.225 0.000 1.145 288 F CB 1.128 40.425 39.000 0.496 0.000 1.440 288 F HN 0.246 nan 8.300 nan 0.000 0.580 289 P HA -0.176 nan 4.420 nan 0.000 0.220 289 P C 0.312 177.733 177.300 0.202 0.000 1.148 289 P CA 1.035 64.245 63.100 0.183 0.000 0.803 289 P CB 0.478 32.232 31.700 0.090 0.000 0.782 290 E N 0.334 120.656 120.200 0.203 0.000 2.289 290 E HA 0.024 4.374 4.350 0.001 0.000 0.278 290 E C -0.028 176.670 176.600 0.164 0.000 1.032 290 E CA -0.560 55.952 56.400 0.186 0.000 0.854 290 E CB 0.249 30.044 29.700 0.160 0.000 1.046 290 E HN 0.136 nan 8.360 nan 0.000 0.409 291 H N 5.861 124.933 119.070 0.003 0.000 2.803 291 H HA 0.126 4.682 4.556 0.001 0.000 0.330 291 H C -2.015 173.036 175.328 -0.462 0.000 1.057 291 H CA -1.695 54.201 56.048 -0.253 0.000 1.458 291 H CB 0.811 30.487 29.762 -0.142 0.000 1.470 291 H HN 0.471 nan 8.280 nan 0.000 0.560 295 E N 1.647 121.902 120.200 0.092 0.000 2.086 295 E HA -0.236 4.115 4.350 0.001 0.000 0.200 295 E C 1.333 177.917 176.600 -0.026 0.000 1.012 295 E CA 2.475 58.897 56.400 0.036 0.000 0.812 295 E CB 0.211 29.925 29.700 0.023 0.000 0.743 295 E HN 0.626 nan 8.360 nan 0.000 0.453 296 E N -0.281 119.833 120.200 -0.143 0.000 2.333 296 E HA -0.220 4.130 4.350 0.001 0.000 0.198 296 E C 0.893 177.311 176.600 -0.302 0.000 1.007 296 E CA 1.255 57.500 56.400 -0.257 0.000 0.845 296 E CB -0.528 28.970 29.700 -0.336 0.000 0.766 296 E HN 0.585 nan 8.360 nan 0.000 0.507 297 H N 0.157 119.282 119.070 0.092 0.000 2.551 297 H HA 0.361 4.917 4.556 0.001 0.000 0.271 297 H C 0.583 175.990 175.328 0.133 0.000 0.984 297 H CA -0.072 56.054 56.048 0.130 0.000 1.164 297 H CB 0.648 30.489 29.762 0.132 0.000 1.437 297 H HN 0.064 nan 8.280 nan 0.000 0.550 298 L N 0.542 121.858 121.223 0.155 0.000 2.334 298 L HA 0.231 4.571 4.340 0.001 0.000 0.272 298 L C 0.484 177.417 176.870 0.105 0.000 1.020 298 L CA -0.746 54.178 54.840 0.140 0.000 0.812 298 L CB 1.470 43.599 42.059 0.116 0.000 1.264 298 L HN 0.023 nan 8.230 nan 0.000 0.439 299 K N 0.885 121.357 120.400 0.120 0.000 3.125 299 K HA -0.164 4.156 4.320 0.001 0.000 0.268 299 K C -0.718 175.911 176.600 0.047 0.000 1.078 299 K CA 0.238 56.589 56.287 0.107 0.000 0.775 299 K CB -1.023 31.524 32.500 0.077 0.000 1.253 299 K HN 0.446 nan 8.250 nan 0.000 0.486 300 Q N 0.423 120.243 119.800 0.034 0.000 2.345 300 Q HA 0.587 4.928 4.340 0.001 0.000 0.268 300 Q C -0.799 175.069 176.000 -0.220 0.000 1.054 300 Q CA -0.945 54.773 55.803 -0.141 0.000 0.835 300 Q CB 2.015 30.667 28.738 -0.144 0.000 1.339 300 Q HN 0.266 nan 8.270 nan 0.000 0.447 301 L N 1.990 122.971 121.223 -0.403 0.000 2.356 301 L HA 0.509 4.850 4.340 0.001 0.000 0.277 301 L C -1.874 174.698 176.870 -0.498 0.000 0.996 301 L CA -0.455 54.231 54.840 -0.257 0.000 0.822 301 L CB 1.183 43.178 42.059 -0.107 0.000 1.256 301 L HN 0.451 nan 8.230 nan 0.000 0.413 302 Y N 3.550 123.863 120.300 0.022 0.000 2.341 302 Y HA 0.582 5.132 4.550 0.001 0.000 0.338 302 Y C -0.217 175.645 175.900 -0.064 0.000 0.965 302 Y CA -0.636 57.473 58.100 0.015 0.000 1.108 302 Y CB 1.728 40.203 38.460 0.025 0.000 1.180 302 Y HN 0.408 nan 8.280 nan 0.000 0.458 303 K N 4.748 125.107 120.400 -0.068 0.000 2.307 303 K HA 0.667 4.988 4.320 0.001 0.000 0.263 303 K C -1.279 175.233 176.600 -0.147 0.000 0.973 303 K CA -0.321 55.675 56.287 -0.484 0.000 0.846 303 K CB 1.439 33.224 32.500 -1.192 0.000 1.100 303 K HN 0.563 nan 8.250 nan 0.000 0.438 304 I N 2.223 122.863 120.570 0.118 0.000 2.545 304 I HA 0.264 4.435 4.170 0.001 0.000 0.292 304 I C -0.517 175.796 176.117 0.327 0.000 1.040 304 I CA -1.353 60.086 61.300 0.231 0.000 1.068 304 I CB 2.200 40.298 38.000 0.164 0.000 1.251 304 I HN 0.163 nan 8.210 nan 0.000 0.424 305 V N 7.101 127.164 119.914 0.248 0.000 2.385 305 V HA 0.293 4.413 4.120 0.001 0.000 0.269 305 V C -1.883 174.289 176.094 0.131 0.000 1.043 305 V CA -1.233 61.185 62.300 0.195 0.000 0.906 305 V CB 0.415 32.329 31.823 0.152 0.000 0.995 305 V HN 0.585 nan 8.190 nan 0.000 0.467 306 P HA 0.416 nan 4.420 nan 0.000 0.279 306 P C 0.642 177.974 177.300 0.053 0.000 1.276 306 P CA -0.452 62.695 63.100 0.078 0.000 0.801 306 P CB 1.562 33.309 31.700 0.078 0.000 1.127 307 I N -1.082 119.510 120.570 0.036 0.000 2.364 307 I HA 0.067 4.237 4.170 0.001 0.000 0.241 307 I C 1.254 177.378 176.117 0.013 0.000 1.082 307 I CA 1.017 62.324 61.300 0.012 0.000 1.401 307 I CB -1.203 36.788 38.000 -0.015 0.000 1.126 307 I HN 0.326 nan 8.210 nan 0.000 0.429 308 K N 1.470 121.885 120.400 0.024 0.000 2.276 308 K HA -0.055 4.266 4.320 0.001 0.000 0.259 308 K C 0.036 176.652 176.600 0.028 0.000 1.001 308 K CA -0.157 56.147 56.287 0.028 0.000 0.927 308 K CB 0.314 32.837 32.500 0.040 0.000 0.969 308 K HN -0.047 nan 8.250 nan 0.000 0.490 309 D N 3.080 123.493 120.400 0.022 0.000 2.455 309 D HA 0.122 4.763 4.640 0.001 0.000 0.234 309 D C -0.679 175.631 176.300 0.017 0.000 1.224 309 D CA -0.146 53.862 54.000 0.013 0.000 0.999 309 D CB -0.533 40.270 40.800 0.005 0.000 1.072 309 D HN 0.377 nan 8.370 nan 0.000 0.514 310 I N -0.691 119.893 120.570 0.024 0.000 2.785 310 I HA 0.639 4.809 4.170 0.001 0.000 0.302 310 I C -0.644 175.486 176.117 0.021 0.000 1.069 310 I CA -1.208 60.108 61.300 0.027 0.000 1.045 310 I CB 2.310 40.338 38.000 0.047 0.000 1.236 310 I HN -0.155 nan 8.210 nan 0.000 0.429 311 R N 3.436 123.940 120.500 0.007 0.000 2.483 311 R HA 0.541 4.881 4.340 0.001 0.000 0.303 311 R C -1.461 174.820 176.300 -0.031 0.000 0.987 311 R CA -0.737 55.359 56.100 -0.007 0.000 0.881 311 R CB 1.664 31.950 30.300 -0.024 0.000 1.177 311 R HN 0.674 nan 8.270 nan 0.000 0.451 312 N N 2.348 121.022 118.700 -0.043 0.000 2.277 312 N HA 0.367 5.108 4.740 0.001 0.000 0.286 312 N C -1.777 173.582 175.510 -0.252 0.000 1.140 312 N CA -0.766 52.161 53.050 -0.204 0.000 0.799 312 N CB 2.528 40.851 38.487 -0.272 0.000 1.596 312 N HN 0.280 nan 8.380 nan 0.000 0.473 313 L N 1.708 122.697 121.223 -0.391 0.000 2.341 313 L HA 0.581 4.921 4.340 0.001 0.000 0.278 313 L C -1.754 174.801 176.870 -0.525 0.000 1.005 313 L CA -0.496 54.170 54.840 -0.290 0.000 0.818 313 L CB 0.771 42.745 42.059 -0.142 0.000 1.259 313 L HN 0.424 nan 8.230 nan 0.000 0.418 314 Y N 4.428 124.720 120.300 -0.014 0.000 2.328 314 Y HA 0.637 5.187 4.550 0.000 0.000 0.333 314 Y C -0.277 175.587 175.900 -0.061 0.000 0.958 314 Y CA -0.855 57.219 58.100 -0.043 0.000 1.167 314 Y CB 1.897 40.326 38.460 -0.051 0.000 1.151 314 Y HN 0.326 nan 8.280 nan 0.000 0.470 315 V N 3.447 123.367 119.914 0.010 0.000 2.435 315 V HA 0.596 4.716 4.120 0.001 0.000 0.290 315 V C -0.243 175.770 176.094 -0.136 0.000 1.030 315 V CA -0.501 61.724 62.300 -0.125 0.000 0.881 315 V CB 1.843 33.538 31.823 -0.214 0.000 0.983 315 V HN 0.818 nan 8.190 nan 0.000 0.445 316 T N 5.257 119.665 114.554 -0.245 0.000 2.881 316 T HA 0.670 5.020 4.350 0.001 0.000 0.290 316 T C -0.982 173.560 174.700 -0.262 0.000 1.000 316 T CA -0.219 61.819 62.100 -0.104 0.000 0.978 316 T CB 0.978 69.848 68.868 0.004 0.000 0.997 316 T HN 0.283 nan 8.240 nan 0.000 0.443 317 F N 4.097 124.200 119.950 0.255 0.000 2.482 317 F HA 0.480 5.008 4.527 0.000 0.000 0.331 317 F C -2.102 173.824 175.800 0.210 0.000 1.115 317 F CA -2.666 55.462 58.000 0.213 0.000 0.955 317 F CB 1.699 40.817 39.000 0.197 0.000 1.136 317 F HN 0.244 nan 8.300 nan 0.000 0.452 318 P HA 0.316 nan 4.420 nan 0.000 0.276 318 P C -0.841 176.422 177.300 -0.061 0.000 1.230 318 P CA 0.026 63.032 63.100 -0.157 0.000 0.776 318 P CB 1.346 32.575 31.700 -0.784 0.000 0.888 319 I N -0.194 120.387 120.570 0.018 0.000 2.934 319 I HA 0.650 4.821 4.170 0.001 0.000 0.306 319 I C -2.844 173.361 176.117 0.145 0.000 1.110 319 I CA -3.704 57.655 61.300 0.098 0.000 1.019 319 I CB 2.012 40.119 38.000 0.178 0.000 1.227 319 I HN 0.017 nan 8.210 nan 0.000 0.434 320 P HA -0.004 nan 4.420 nan 0.000 0.270 320 P C -0.878 176.508 177.300 0.143 0.000 1.227 320 P CA 0.038 63.237 63.100 0.165 0.000 0.788 320 P CB 0.331 32.128 31.700 0.161 0.000 0.926 321 D N 0.750 121.214 120.400 0.108 0.000 2.434 321 D HA 0.002 4.642 4.640 0.001 0.000 0.252 321 D C 0.669 177.021 176.300 0.088 0.000 1.185 321 D CA 0.432 54.466 54.000 0.057 0.000 0.886 321 D CB 0.077 40.892 40.800 0.025 0.000 1.148 321 D HN 0.222 nan 8.370 nan 0.000 0.483 322 L N 3.176 124.477 121.223 0.130 0.000 2.640 322 L HA 0.027 4.367 4.340 0.001 0.000 0.230 322 L C 1.982 178.942 176.870 0.151 0.000 1.123 322 L CA -0.164 54.820 54.840 0.239 0.000 0.900 322 L CB -0.039 42.203 42.059 0.306 0.000 1.146 322 L HN 0.381 nan 8.230 nan 0.000 0.484 323 Q N 2.530 122.379 119.800 0.081 0.000 2.173 323 Q HA -0.254 4.087 4.340 0.001 0.000 0.208 323 Q C 2.014 178.101 176.000 0.144 0.000 0.989 323 Q CA 2.127 57.990 55.803 0.101 0.000 0.872 323 Q CB -0.178 28.598 28.738 0.063 0.000 0.909 323 Q HN 0.575 nan 8.270 nan 0.000 0.420 324 K N -1.503 118.868 120.400 -0.049 0.000 2.504 324 K HA -0.129 4.191 4.320 0.001 0.000 0.195 324 K C 0.236 176.751 176.600 -0.141 0.000 1.036 324 K CA 0.899 57.136 56.287 -0.083 0.000 0.984 324 K CB -0.138 32.197 32.500 -0.274 0.000 0.788 324 K HN 0.246 nan 8.250 nan 0.000 0.488 325 Y N 0.965 121.340 120.300 0.125 0.000 2.532 325 Y HA 0.084 4.635 4.550 0.001 0.000 0.283 325 Y C 1.301 177.230 175.900 0.048 0.000 1.181 325 Y CA -1.365 56.756 58.100 0.036 0.000 1.256 325 Y CB -0.725 37.758 38.460 0.038 0.000 1.112 325 Y HN 0.202 nan 8.280 nan 0.000 0.521 326 Y N -0.278 120.144 120.300 0.203 0.000 2.298 326 Y HA -0.202 4.348 4.550 0.001 0.000 0.287 326 Y C 1.704 177.716 175.900 0.186 0.000 1.164 326 Y CA 0.985 59.203 58.100 0.197 0.000 1.229 326 Y CB -0.556 38.045 38.460 0.235 0.000 0.977 326 Y HN -0.071 nan 8.280 nan 0.000 0.538 327 K N 0.355 120.516 120.400 -0.398 0.000 2.283 327 K HA -0.084 4.236 4.320 0.001 0.000 0.202 327 K C 2.110 178.752 176.600 0.071 0.000 1.048 327 K CA 1.391 57.551 56.287 -0.212 0.000 0.948 327 K CB -0.085 32.240 32.500 -0.291 0.000 0.742 327 K HN 0.577 nan 8.250 nan 0.000 0.458 328 S N -0.602 115.168 115.700 0.117 0.000 2.554 328 S HA 0.008 4.479 4.470 0.001 0.000 0.227 328 S C 0.481 175.279 174.600 0.331 0.000 1.050 328 S CA -0.345 57.985 58.200 0.217 0.000 0.927 328 S CB 0.121 63.323 63.200 0.003 0.000 0.859 328 S HN 0.222 nan 8.310 nan 0.000 0.494 329 N N 2.890 121.755 118.700 0.276 0.000 2.650 329 N HA -0.079 4.662 4.740 0.001 0.000 0.272 329 N C -1.760 173.945 175.510 0.325 0.000 1.058 329 N CA 0.952 54.187 53.050 0.309 0.000 0.765 329 N CB -0.315 38.354 38.487 0.304 0.000 0.902 329 N HN 0.374 nan 8.380 nan 0.000 0.551 330 P HA -0.103 nan 4.420 nan 0.000 0.217 330 P C 1.509 178.978 177.300 0.281 0.000 1.150 330 P CA 1.762 64.950 63.100 0.146 0.000 0.832 330 P CB -0.205 31.476 31.700 -0.032 0.000 0.787 331 G N -0.507 108.477 108.800 0.306 0.000 2.418 331 G HA2 -0.301 3.659 3.960 0.001 0.000 0.217 331 G HA3 -0.301 3.659 3.960 0.001 0.000 0.217 331 G C 1.623 176.776 174.900 0.422 0.000 1.158 331 G CA 1.171 46.514 45.100 0.406 0.000 0.771 331 G HN 0.335 nan 8.290 nan 0.000 0.545 332 H N -0.865 118.371 119.070 0.276 0.000 2.357 332 H HA -0.128 4.428 4.556 0.001 0.000 0.301 332 H C 2.099 177.601 175.328 0.291 0.000 1.082 332 H CA 1.676 57.862 56.048 0.231 0.000 1.342 332 H CB -0.507 29.354 29.762 0.166 0.000 1.389 332 H HN 0.385 nan 8.280 nan 0.000 0.511 333 Y N 0.466 120.847 120.300 0.134 0.000 2.114 333 Y HA -0.264 4.286 4.550 0.000 0.000 0.282 333 Y C 2.159 178.137 175.900 0.130 0.000 1.165 333 Y CA 2.122 60.285 58.100 0.104 0.000 1.148 333 Y CB -0.404 38.192 38.460 0.225 0.000 0.972 333 Y HN 0.249 nan 8.280 nan 0.000 0.504 334 L N -0.661 120.778 121.223 0.359 0.000 2.156 334 L HA -0.066 4.275 4.340 0.001 0.000 0.208 334 L C 2.685 179.739 176.870 0.308 0.000 1.095 334 L CA 0.957 55.964 54.840 0.278 0.000 0.770 334 L CB -0.973 41.227 42.059 0.234 0.000 0.914 334 L HN 0.426 nan 8.230 nan 0.000 0.439 335 G N -0.975 108.032 108.800 0.345 0.000 2.404 335 G HA2 -0.345 3.615 3.960 0.001 0.000 0.215 335 G HA3 -0.345 3.615 3.960 0.001 0.000 0.215 335 G C 1.329 176.263 174.900 0.057 0.000 1.174 335 G CA 0.994 46.208 45.100 0.191 0.000 0.780 335 G HN 0.443 nan 8.290 nan 0.000 0.537 336 H N -0.029 118.955 119.070 -0.144 0.000 2.357 336 H HA -0.098 4.459 4.556 0.001 0.000 0.296 336 H C 2.295 177.626 175.328 0.005 0.000 1.108 336 H CA 1.759 57.722 56.048 -0.140 0.000 1.273 336 H CB -0.158 29.403 29.762 -0.335 0.000 1.367 336 H HN 0.237 nan 8.280 nan 0.000 0.498 337 L N 0.209 121.345 121.223 -0.146 0.000 2.022 337 L HA -0.028 4.313 4.340 0.001 0.000 0.204 337 L C 2.669 179.538 176.870 -0.001 0.000 1.076 337 L CA 1.467 56.240 54.840 -0.111 0.000 0.749 337 L CB -1.082 40.926 42.059 -0.086 0.000 0.903 337 L HN 0.424 nan 8.230 nan 0.000 0.439 338 I N -0.482 120.132 120.570 0.074 0.000 2.194 338 I HA -0.272 3.898 4.170 0.001 0.000 0.246 338 I C 2.104 178.113 176.117 -0.179 0.000 1.093 338 I CA 1.641 62.912 61.300 -0.048 0.000 1.355 338 I CB -0.825 37.267 38.000 0.154 0.000 1.046 338 I HN 0.393 nan 8.210 nan 0.000 0.413 339 G N -1.012 107.734 108.800 -0.090 0.000 2.920 339 G HA2 -0.079 3.881 3.960 0.001 0.000 0.208 339 G HA3 -0.079 3.881 3.960 0.001 0.000 0.208 339 G C 0.655 175.443 174.900 -0.186 0.000 1.159 339 G CA -0.191 44.834 45.100 -0.124 0.000 0.784 339 G HN 0.336 nan 8.290 nan 0.000 0.535 340 H N 0.700 119.608 119.070 -0.270 0.000 2.929 340 H HA 0.074 4.630 4.556 0.001 0.000 0.358 340 H C 0.362 175.409 175.328 -0.469 0.000 1.111 340 H CA 0.907 56.781 56.048 -0.291 0.000 1.409 340 H CB 0.846 30.482 29.762 -0.210 0.000 1.373 340 H HN 0.302 nan 8.280 nan 0.000 0.610 341 E N 1.998 121.637 120.200 -0.935 0.000 2.630 341 E HA 0.182 4.532 4.350 0.001 0.000 0.218 341 E C 0.702 177.160 176.600 -0.236 0.000 0.977 341 E CA -0.314 55.665 56.400 -0.700 0.000 1.038 341 E CB 1.137 30.152 29.700 -1.141 0.000 1.051 341 E HN 0.640 nan 8.360 nan 0.000 0.487 342 G N 2.312 111.194 108.800 0.136 0.000 2.535 342 G HA2 0.352 4.312 3.960 0.001 0.000 0.303 342 G HA3 0.352 4.312 3.960 0.001 0.000 0.303 342 G C -2.657 172.375 174.900 0.220 0.000 1.237 342 G CA -1.317 43.953 45.100 0.284 0.000 0.986 342 G HN -0.184 nan 8.290 nan 0.000 0.494 343 P HA 0.172 nan 4.420 nan 0.000 0.267 343 P C 1.014 178.408 177.300 0.157 0.000 1.200 343 P CA 1.488 64.677 63.100 0.149 0.000 0.772 343 P CB 0.840 32.621 31.700 0.136 0.000 0.855 344 G N 1.063 109.958 108.800 0.157 0.000 2.284 344 G HA2 -0.276 3.684 3.960 0.001 0.000 0.261 344 G HA3 -0.276 3.684 3.960 0.001 0.000 0.261 344 G C 0.457 175.560 174.900 0.338 0.000 0.997 344 G CA 0.481 45.715 45.100 0.223 0.000 0.621 344 G HN 0.851 nan 8.290 nan 0.000 0.534 345 S N 0.317 116.154 115.700 0.228 0.000 2.584 345 S HA 0.511 4.981 4.470 0.001 0.000 0.270 345 S C 1.566 176.236 174.600 0.117 0.000 1.346 345 S CA 0.227 58.492 58.200 0.108 0.000 1.018 345 S CB 1.581 64.786 63.200 0.008 0.000 0.899 345 S HN 1.252 nan 8.310 nan 0.000 0.542 346 L N 2.098 123.088 121.223 -0.388 0.000 1.990 346 L HA -0.102 4.239 4.340 0.001 0.000 0.213 346 L C 2.261 179.121 176.870 -0.018 0.000 1.072 346 L CA 1.744 56.380 54.840 -0.340 0.000 0.755 346 L CB -0.982 40.571 42.059 -0.844 0.000 0.889 346 L HN 0.902 nan 8.230 nan 0.000 0.432 347 L N -1.232 119.918 121.223 -0.121 0.000 1.990 347 L HA -0.310 4.030 4.340 0.001 0.000 0.213 347 L C 2.510 179.381 176.870 0.001 0.000 1.072 347 L CA 2.174 56.972 54.840 -0.071 0.000 0.755 347 L CB -0.525 41.448 42.059 -0.144 0.000 0.889 347 L HN 0.409 nan 8.230 nan 0.000 0.432 348 S N -0.324 115.391 115.700 0.026 0.000 2.365 348 S HA -0.283 4.188 4.470 0.001 0.000 0.225 348 S C 1.706 176.333 174.600 0.045 0.000 1.039 348 S CA 1.898 60.123 58.200 0.042 0.000 1.033 348 S CB -0.282 62.958 63.200 0.068 0.000 0.887 348 S HN 0.470 nan 8.310 nan 0.000 0.447 349 E N 1.309 121.580 120.200 0.118 0.000 2.077 349 E HA -0.053 4.297 4.350 0.001 0.000 0.193 349 E C 1.868 178.466 176.600 -0.002 0.000 0.989 349 E CA 1.041 57.475 56.400 0.057 0.000 0.800 349 E CB -0.416 29.331 29.700 0.079 0.000 0.746 349 E HN 0.495 nan 8.360 nan 0.000 0.452 350 L N -0.027 121.241 121.223 0.075 0.000 2.141 350 L HA -0.110 4.230 4.340 0.001 0.000 0.209 350 L C 2.583 179.437 176.870 -0.027 0.000 1.094 350 L CA 1.361 56.230 54.840 0.048 0.000 0.763 350 L CB -0.341 41.791 42.059 0.121 0.000 0.908 350 L HN 0.115 nan 8.230 nan 0.000 0.437 351 K N -0.231 120.154 120.400 -0.027 0.000 2.062 351 K HA -0.089 4.232 4.320 0.001 0.000 0.205 351 K C 2.301 178.849 176.600 -0.087 0.000 1.051 351 K CA 1.186 57.452 56.287 -0.035 0.000 0.941 351 K CB 0.109 32.598 32.500 -0.018 0.000 0.719 351 K HN 0.037 nan 8.250 nan 0.000 0.440 352 S N 1.035 116.670 115.700 -0.107 0.000 2.370 352 S HA -0.103 4.367 4.470 0.001 0.000 0.226 352 S C 1.570 176.020 174.600 -0.250 0.000 1.033 352 S CA 1.198 59.313 58.200 -0.140 0.000 1.011 352 S CB -0.124 63.000 63.200 -0.127 0.000 0.852 352 S HN 0.275 nan 8.310 nan 0.000 0.457 353 K N 0.292 120.440 120.400 -0.421 0.000 2.442 353 K HA -0.005 4.315 4.320 0.001 0.000 0.198 353 K C 1.334 177.496 176.600 -0.729 0.000 1.042 353 K CA 0.711 56.515 56.287 -0.806 0.000 0.958 353 K CB -0.388 31.199 32.500 -1.521 0.000 0.766 353 K HN 0.528 nan 8.250 nan 0.000 0.474 354 G N 0.380 108.971 108.800 -0.348 0.000 2.137 354 G HA2 -0.179 3.781 3.960 0.001 0.000 0.237 354 G HA3 -0.179 3.781 3.960 0.001 0.000 0.237 354 G C 0.307 175.259 174.900 0.086 0.000 1.002 354 G CA 0.142 45.171 45.100 -0.118 0.000 0.702 354 G HN 0.253 nan 8.290 nan 0.000 0.515 355 W N -0.844 120.423 121.300 -0.054 0.000 2.762 355 W HA 0.557 5.218 4.660 0.000 0.000 0.265 355 W C 1.124 177.621 176.519 -0.037 0.000 1.263 355 W CA 0.640 57.957 57.345 -0.047 0.000 1.411 355 W CB 0.028 29.443 29.460 -0.075 0.000 1.065 355 W HN 0.816 nan 8.180 nan 0.000 0.609 356 V N -0.981 119.040 119.914 0.178 0.000 3.178 356 V HA 0.490 4.610 4.120 0.001 0.000 0.302 356 V C 0.159 176.274 176.094 0.036 0.000 1.262 356 V CA -0.740 61.608 62.300 0.079 0.000 1.030 356 V CB 1.962 33.815 31.823 0.050 0.000 1.074 356 V HN -0.088 nan 8.190 nan 0.000 0.438 357 N N 1.282 119.987 118.700 0.008 0.000 2.510 357 N HA 0.154 4.894 4.740 0.001 0.000 0.186 357 N C 0.594 176.087 175.510 -0.029 0.000 1.051 357 N CA 1.280 54.327 53.050 -0.006 0.000 0.877 357 N CB 0.734 39.219 38.487 -0.002 0.000 1.183 357 N HN 1.038 nan 8.380 nan 0.000 0.443 358 T N -1.290 113.240 114.554 -0.040 0.000 2.906 358 T HA 0.709 5.059 4.350 0.001 0.000 0.295 358 T C -0.810 173.845 174.700 -0.076 0.000 1.075 358 T CA -0.801 61.262 62.100 -0.061 0.000 1.005 358 T CB 2.427 71.264 68.868 -0.052 0.000 1.136 358 T HN 0.011 nan 8.240 nan 0.000 0.498 359 L N 1.528 122.693 121.223 -0.097 0.000 2.455 359 L HA 0.828 5.168 4.340 0.001 0.000 0.264 359 L C -1.828 174.982 176.870 -0.101 0.000 0.968 359 L CA -0.859 53.917 54.840 -0.106 0.000 0.827 359 L CB 2.003 43.988 42.059 -0.124 0.000 1.317 359 L HN 0.712 nan 8.230 nan 0.000 0.407 360 V N 3.548 123.411 119.914 -0.085 0.000 2.531 360 V HA 0.897 5.017 4.120 0.001 0.000 0.301 360 V C 0.198 176.247 176.094 -0.076 0.000 1.034 360 V CA -0.172 62.086 62.300 -0.070 0.000 0.865 360 V CB 1.492 33.288 31.823 -0.046 0.000 0.995 360 V HN 0.900 nan 8.190 nan 0.000 0.424 361 G N 1.700 110.448 108.800 -0.087 0.000 2.612 361 G HA2 0.894 4.855 3.960 0.001 0.000 0.298 361 G HA3 0.894 4.855 3.960 0.001 0.000 0.298 361 G C -0.350 174.416 174.900 -0.223 0.000 1.336 361 G CA -0.117 44.915 45.100 -0.114 0.000 0.953 361 G HN 1.406 nan 8.290 nan 0.000 0.482 362 G N -0.504 107.924 108.800 -0.619 0.000 2.346 362 G HA2 0.464 4.424 3.960 0.001 0.000 0.294 362 G HA3 0.464 4.424 3.960 0.001 0.000 0.294 362 G C -0.670 173.613 174.900 -1.028 0.000 1.294 362 G CA -0.147 44.503 45.100 -0.750 0.000 0.962 362 G HN 1.146 nan 8.290 nan 0.000 0.508 363 Q N -0.415 119.119 119.800 -0.443 0.000 2.260 363 Q HA 0.712 5.053 4.340 0.001 0.000 0.238 363 Q C -0.445 175.536 176.000 -0.033 0.000 0.948 363 Q CA -0.584 55.130 55.803 -0.147 0.000 0.895 363 Q CB 2.064 30.881 28.738 0.132 0.000 1.218 363 Q HN 0.650 nan 8.270 nan 0.000 0.470 364 K N 1.582 122.037 120.400 0.092 0.000 2.507 364 K HA 0.209 4.530 4.320 0.001 0.000 0.251 364 K C -1.045 175.683 176.600 0.213 0.000 0.943 364 K CA -0.445 55.924 56.287 0.137 0.000 0.794 364 K CB 1.876 34.470 32.500 0.157 0.000 1.188 364 K HN 0.731 nan 8.250 nan 0.000 0.428 365 E N 1.541 121.818 120.200 0.129 0.000 2.481 365 E HA -0.045 4.306 4.350 0.001 0.000 0.263 365 E C 0.385 177.093 176.600 0.180 0.000 0.992 365 E CA 0.541 56.993 56.400 0.087 0.000 0.938 365 E CB 0.791 30.518 29.700 0.044 0.000 0.933 365 E HN 0.836 nan 8.360 nan 0.000 0.453 366 G N 1.307 110.051 108.800 -0.093 0.000 2.446 366 G HA2 0.591 4.552 3.960 0.001 0.000 0.200 366 G HA3 0.591 4.552 3.960 0.001 0.000 0.200 366 G C -0.380 174.130 174.900 -0.651 0.000 1.707 366 G CA 0.642 45.569 45.100 -0.290 0.000 0.697 366 G HN 0.699 nan 8.290 nan 0.000 0.675 367 A N -1.116 120.964 122.820 -1.233 0.000 2.493 367 A HA 0.671 4.992 4.320 0.001 0.000 0.300 367 A C -0.956 176.430 177.584 -0.330 0.000 1.152 367 A CA -0.735 50.956 52.037 -0.577 0.000 0.643 367 A CB 0.325 19.031 19.000 -0.489 0.000 1.316 367 A HN 0.239 nan 8.150 nan 0.000 0.469 368 R N 0.200 120.747 120.500 0.079 0.000 2.473 368 R HA 0.329 4.670 4.340 0.001 0.000 0.315 368 R C 1.137 177.535 176.300 0.164 0.000 0.972 368 R CA 1.408 57.583 56.100 0.124 0.000 1.047 368 R CB -0.381 29.994 30.300 0.125 0.000 0.932 368 R HN 1.991 nan 8.270 nan 0.000 0.411 369 G N 2.530 111.384 108.800 0.090 0.000 2.259 369 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 369 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 369 G C -0.187 174.848 174.900 0.225 0.000 1.001 369 G CA 0.041 45.252 45.100 0.186 0.000 0.627 369 G HN 0.634 nan 8.290 nan 0.000 0.501 370 F N -1.043 118.877 119.950 -0.050 0.000 2.619 370 F HA 0.897 5.425 4.527 0.001 0.000 0.308 370 F C -0.619 174.986 175.800 -0.324 0.000 1.097 370 F CA -1.620 56.226 58.000 -0.256 0.000 0.953 370 F CB 1.176 39.755 39.000 -0.701 0.000 1.287 370 F HN 0.141 nan 8.300 nan 0.000 0.446 371 M N 1.704 121.179 119.600 -0.208 0.000 2.779 371 M HA 0.653 5.133 4.480 0.001 0.000 0.277 371 M C -1.864 174.179 176.300 -0.429 0.000 1.284 371 M CA -0.625 54.492 55.300 -0.306 0.000 0.801 371 M CB 3.143 35.727 32.600 -0.028 0.000 1.712 371 M HN 0.665 nan 8.290 nan 0.000 0.453 372 F N -0.167 119.920 119.950 0.229 0.000 2.603 372 F HA 0.656 5.183 4.527 0.000 0.000 0.317 372 F C -1.027 174.925 175.800 0.253 0.000 1.066 372 F CA -0.705 57.442 58.000 0.245 0.000 0.941 372 F CB 1.468 40.572 39.000 0.173 0.000 1.291 372 F HN 0.266 nan 8.300 nan 0.000 0.472 373 F N 3.440 123.627 119.950 0.395 0.000 2.493 373 F HA 0.745 5.272 4.527 0.001 0.000 0.329 373 F C -0.688 175.323 175.800 0.353 0.000 1.126 373 F CA -1.182 57.010 58.000 0.320 0.000 0.937 373 F CB 1.138 40.296 39.000 0.263 0.000 1.146 373 F HN 0.385 nan 8.300 nan 0.000 0.442 374 I N 4.088 124.633 120.570 -0.041 0.000 2.693 374 I HA 0.696 4.866 4.170 0.001 0.000 0.303 374 I C -1.379 174.777 176.117 0.065 0.000 1.025 374 I CA -0.905 60.442 61.300 0.077 0.000 1.086 374 I CB 2.338 40.343 38.000 0.009 0.000 1.268 374 I HN 0.441 nan 8.210 nan 0.000 0.440 375 I N 3.872 124.502 120.570 0.100 0.000 2.503 375 I HA 0.414 4.584 4.170 0.001 0.000 0.282 375 I C -1.263 174.835 176.117 -0.031 0.000 1.059 375 I CA -0.475 60.845 61.300 0.033 0.000 1.081 375 I CB 1.304 39.334 38.000 0.051 0.000 1.210 375 I HN 0.556 nan 8.210 nan 0.000 0.450 376 N N 5.810 124.476 118.700 -0.056 0.000 2.321 376 N HA 0.691 5.431 4.740 0.001 0.000 0.299 376 N C -0.813 174.601 175.510 -0.161 0.000 1.048 376 N CA -0.501 52.473 53.050 -0.127 0.000 0.836 376 N CB 3.020 41.480 38.487 -0.044 0.000 1.269 376 N HN 0.403 nan 8.380 nan 0.000 0.486 377 V N -1.663 118.115 119.914 -0.227 0.000 2.925 377 V HA 0.620 4.741 4.120 0.001 0.000 0.311 377 V C -0.387 175.595 176.094 -0.186 0.000 1.104 377 V CA -1.144 61.059 62.300 -0.161 0.000 0.954 377 V CB 2.009 33.769 31.823 -0.104 0.000 1.022 377 V HN 0.622 nan 8.190 nan 0.000 0.427 378 D N 3.219 123.549 120.400 -0.117 0.000 2.377 378 D HA 0.518 5.158 4.640 0.001 0.000 0.245 378 D C -0.451 175.816 176.300 -0.056 0.000 1.196 378 D CA -0.426 53.520 54.000 -0.091 0.000 0.962 378 D CB 1.494 42.264 40.800 -0.049 0.000 1.127 378 D HN 0.647 nan 8.370 nan 0.000 0.471 379 L N -0.057 121.144 121.223 -0.037 0.000 2.386 379 L HA 0.385 4.726 4.340 0.001 0.000 0.271 379 L C 0.682 177.560 176.870 0.012 0.000 0.993 379 L CA -0.970 53.865 54.840 -0.009 0.000 0.819 379 L CB 2.192 44.234 42.059 -0.028 0.000 1.294 379 L HN 0.612 nan 8.230 nan 0.000 0.414 380 T N -2.710 111.873 114.554 0.049 0.000 2.788 380 T HA 0.204 4.554 4.350 0.001 0.000 0.280 380 T C 0.890 175.618 174.700 0.046 0.000 0.984 380 T CA -0.562 61.571 62.100 0.055 0.000 0.972 380 T CB 1.010 69.936 68.868 0.098 0.000 1.039 380 T HN 0.665 nan 8.240 nan 0.000 0.530 381 E N 0.227 120.452 120.200 0.041 0.000 2.085 381 E HA -0.179 4.172 4.350 0.001 0.000 0.194 381 E C 2.199 178.835 176.600 0.061 0.000 0.994 381 E CA 1.211 57.630 56.400 0.030 0.000 0.801 381 E CB -0.026 29.690 29.700 0.026 0.000 0.743 381 E HN 0.618 nan 8.360 nan 0.000 0.453 382 E N 0.157 120.433 120.200 0.127 0.000 2.077 382 E HA -0.126 4.224 4.350 0.001 0.000 0.193 382 E C 2.264 178.972 176.600 0.180 0.000 0.989 382 E CA 1.029 57.565 56.400 0.226 0.000 0.800 382 E CB -0.429 29.467 29.700 0.327 0.000 0.746 382 E HN 0.357 nan 8.360 nan 0.000 0.452 383 G N 1.696 110.571 108.800 0.125 0.000 2.440 383 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 383 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 383 G C 1.632 176.457 174.900 -0.125 0.000 1.154 383 G CA 0.890 45.942 45.100 -0.080 0.000 0.767 383 G HN 0.255 nan 8.290 nan 0.000 0.552 384 L N 0.403 121.593 121.223 -0.055 0.000 2.127 384 L HA 0.042 4.382 4.340 0.001 0.000 0.211 384 L C 2.425 179.236 176.870 -0.098 0.000 1.089 384 L CA 1.428 56.227 54.840 -0.068 0.000 0.757 384 L CB -0.261 41.756 42.059 -0.070 0.000 0.899 384 L HN 0.239 nan 8.230 nan 0.000 0.434 385 L N -1.730 119.423 121.223 -0.115 0.000 2.554 385 L HA -0.024 4.317 4.340 0.001 0.000 0.226 385 L C 0.672 177.251 176.870 -0.485 0.000 1.137 385 L CA 0.275 54.981 54.840 -0.224 0.000 0.863 385 L CB -0.370 41.580 42.059 -0.181 0.000 0.985 385 L HN 0.331 nan 8.230 nan 0.000 0.451 386 H N -2.264 116.588 119.070 -0.363 0.000 2.549 386 H HA 0.159 4.715 4.556 0.001 0.000 0.253 386 H C 1.405 176.418 175.328 -0.525 0.000 1.170 386 H CA -0.235 55.452 56.048 -0.603 0.000 0.943 386 H CB 0.569 29.510 29.762 -1.368 0.000 1.849 386 H HN -0.127 nan 8.280 nan 0.000 0.603 387 V N 0.287 120.088 119.914 -0.188 0.000 2.332 387 V HA -0.290 3.830 4.120 0.001 0.000 0.248 387 V C 2.394 178.527 176.094 0.065 0.000 1.055 387 V CA 2.415 64.676 62.300 -0.064 0.000 1.038 387 V CB -0.080 31.755 31.823 0.019 0.000 0.651 387 V HN 0.620 nan 8.190 nan 0.000 0.450 388 E N -0.213 120.072 120.200 0.143 0.000 2.110 388 E HA -0.258 4.093 4.350 0.001 0.000 0.193 388 E C 1.807 178.655 176.600 0.413 0.000 0.988 388 E CA 1.518 58.152 56.400 0.390 0.000 0.804 388 E CB -0.064 29.776 29.700 0.233 0.000 0.745 388 E HN 0.599 nan 8.360 nan 0.000 0.458 389 D N 0.424 120.923 120.400 0.166 0.000 2.097 389 D HA -0.118 4.522 4.640 0.001 0.000 0.197 389 D C 2.036 178.441 176.300 0.175 0.000 0.984 389 D CA 0.917 55.032 54.000 0.191 0.000 0.826 389 D CB -0.183 40.572 40.800 -0.075 0.000 0.973 389 D HN 0.286 nan 8.370 nan 0.000 0.460 390 I N 0.819 121.330 120.570 -0.098 0.000 2.163 390 I HA -0.261 3.909 4.170 0.001 0.000 0.243 390 I C 2.359 178.521 176.117 0.073 0.000 1.085 390 I CA 0.899 62.206 61.300 0.012 0.000 1.347 390 I CB -0.186 37.777 38.000 -0.061 0.000 1.044 390 I HN -0.009 nan 8.210 nan 0.000 0.408 391 I N -0.036 120.536 120.570 0.003 0.000 2.315 391 I HA -0.281 3.889 4.170 0.001 0.000 0.248 391 I C 2.532 178.555 176.117 -0.157 0.000 1.117 391 I CA 0.942 62.096 61.300 -0.244 0.000 1.404 391 I CB -0.327 37.339 38.000 -0.557 0.000 1.071 391 I HN 0.250 nan 8.210 nan 0.000 0.419 392 L N 0.776 122.116 121.223 0.195 0.000 2.013 392 L HA -0.300 4.040 4.340 0.001 0.000 0.212 392 L C 2.584 179.705 176.870 0.418 0.000 1.073 392 L CA 2.107 57.217 54.840 0.450 0.000 0.753 392 L CB -0.977 41.449 42.059 0.611 0.000 0.890 392 L HN 0.282 nan 8.230 nan 0.000 0.432 393 H N -1.505 117.737 119.070 0.286 0.000 2.423 393 H HA -0.111 4.445 4.556 0.001 0.000 0.297 393 H C 2.232 177.651 175.328 0.151 0.000 1.075 393 H CA 1.570 57.838 56.048 0.367 0.000 1.342 393 H CB 0.010 30.053 29.762 0.470 0.000 1.395 393 H HN 0.410 nan 8.280 nan 0.000 0.530 394 M N 0.025 119.681 119.600 0.094 0.000 2.080 394 M HA -0.199 4.281 4.480 0.001 0.000 0.260 394 M C 1.980 178.167 176.300 -0.189 0.000 1.068 394 M CA 1.793 56.993 55.300 -0.167 0.000 1.109 394 M CB -0.394 31.975 32.600 -0.385 0.000 1.342 394 M HN 0.152 nan 8.290 nan 0.000 0.405 395 F N 0.210 120.177 119.950 0.029 0.000 2.186 395 F HA -0.223 4.304 4.527 0.001 0.000 0.299 395 F C 2.594 178.431 175.800 0.062 0.000 1.090 395 F CA 1.128 59.151 58.000 0.039 0.000 1.307 395 F CB -0.375 38.649 39.000 0.039 0.000 1.019 395 F HN 0.219 nan 8.300 nan 0.000 0.489 396 Q N -0.988 118.976 119.800 0.273 0.000 2.119 396 Q HA -0.241 4.099 4.340 0.001 0.000 0.201 396 Q C 1.950 178.017 176.000 0.112 0.000 0.972 396 Q CA 1.694 57.634 55.803 0.229 0.000 0.847 396 Q CB -0.438 28.494 28.738 0.323 0.000 0.903 396 Q HN 0.526 nan 8.270 nan 0.000 0.433 397 Y N 1.052 121.214 120.300 -0.230 0.000 2.200 397 Y HA -0.198 4.352 4.550 0.001 0.000 0.290 397 Y C 1.878 177.668 175.900 -0.184 0.000 1.137 397 Y CA 1.324 59.145 58.100 -0.466 0.000 1.163 397 Y CB -0.022 37.943 38.460 -0.825 0.000 0.988 397 Y HN 0.011 nan 8.280 nan 0.000 0.518 398 I N -0.110 120.444 120.570 -0.026 0.000 2.226 398 I HA -0.316 3.854 4.170 0.001 0.000 0.245 398 I C 2.387 178.461 176.117 -0.072 0.000 1.100 398 I CA 1.673 62.947 61.300 -0.044 0.000 1.374 398 I CB -0.411 37.591 38.000 0.003 0.000 1.057 398 I HN 0.248 nan 8.210 nan 0.000 0.413 399 Q N 1.590 121.389 119.800 -0.003 0.000 2.124 399 Q HA -0.262 4.079 4.340 0.001 0.000 0.202 399 Q C 1.992 177.962 176.000 -0.048 0.000 0.977 399 Q CA 1.831 57.636 55.803 0.003 0.000 0.850 399 Q CB -0.176 28.598 28.738 0.061 0.000 0.901 399 Q HN 0.219 nan 8.270 nan 0.000 0.429 400 K N -0.000 120.336 120.400 -0.107 0.000 2.063 400 K HA -0.117 4.204 4.320 0.001 0.000 0.208 400 K C 1.790 178.287 176.600 -0.173 0.000 1.048 400 K CA 1.616 57.817 56.287 -0.142 0.000 0.928 400 K CB -0.531 31.848 32.500 -0.202 0.000 0.713 400 K HN 0.378 nan 8.250 nan 0.000 0.442 401 L N 0.032 121.104 121.223 -0.252 0.000 2.046 401 L HA -0.141 4.199 4.340 0.001 0.000 0.208 401 L C 2.737 179.572 176.870 -0.058 0.000 1.077 401 L CA 1.448 56.200 54.840 -0.147 0.000 0.747 401 L CB -0.425 41.553 42.059 -0.135 0.000 0.896 401 L HN 0.204 nan 8.230 nan 0.000 0.432 402 R N -0.064 120.401 120.500 -0.059 0.000 2.066 402 R HA -0.128 4.213 4.340 0.001 0.000 0.232 402 R C 2.464 178.751 176.300 -0.020 0.000 1.131 402 R CA 1.400 57.478 56.100 -0.036 0.000 0.955 402 R CB -0.433 29.848 30.300 -0.032 0.000 0.851 402 R HN 0.353 nan 8.270 nan 0.000 0.432 403 A N 1.261 124.070 122.820 -0.019 0.000 1.908 403 A HA -0.172 4.148 4.320 0.001 0.000 0.218 403 A C 1.819 179.407 177.584 0.006 0.000 1.181 403 A CA 1.418 53.453 52.037 -0.004 0.000 0.627 403 A CB -0.240 18.759 19.000 -0.001 0.000 0.818 403 A HN 0.231 nan 8.150 nan 0.000 0.445 404 E N -0.721 119.483 120.200 0.006 0.000 2.285 404 E HA 0.205 4.555 4.350 0.001 0.000 0.194 404 E C 1.277 177.907 176.600 0.050 0.000 0.997 404 E CA 0.628 57.048 56.400 0.034 0.000 0.845 404 E CB -0.568 29.156 29.700 0.040 0.000 0.782 404 E HN 0.733 nan 8.360 nan 0.000 0.491 405 G N 2.379 111.200 108.800 0.035 0.000 2.915 405 G HA2 -0.229 3.731 3.960 0.001 0.000 0.337 405 G HA3 -0.229 3.731 3.960 0.001 0.000 0.337 405 G C -2.589 172.367 174.900 0.093 0.000 1.477 405 G CA -0.712 44.412 45.100 0.040 0.000 0.916 405 G HN 0.011 nan 8.290 nan 0.000 0.550 406 P HA 0.325 nan 4.420 nan 0.000 0.267 406 P C -0.321 177.160 177.300 0.301 0.000 1.200 406 P CA 0.229 63.424 63.100 0.159 0.000 0.772 406 P CB 0.744 32.412 31.700 -0.052 0.000 0.855 407 Q N 1.332 121.341 119.800 0.348 0.000 2.363 407 Q HA 0.145 4.486 4.340 0.001 0.000 0.265 407 Q C 0.743 176.647 176.000 -0.160 0.000 1.032 407 Q CA -0.081 55.794 55.803 0.120 0.000 0.746 407 Q CB 0.774 29.523 28.738 0.017 0.000 1.237 407 Q HN 0.394 nan 8.270 nan 0.000 0.475 408 E N 3.889 123.854 120.200 -0.392 0.000 2.110 408 E HA -0.158 4.193 4.350 0.001 0.000 0.193 408 E C 1.095 177.487 176.600 -0.346 0.000 0.988 408 E CA 1.451 57.318 56.400 -0.889 0.000 0.804 408 E CB 0.051 29.336 29.700 -0.691 0.000 0.745 408 E HN 0.832 nan 8.360 nan 0.000 0.458 409 W N 0.161 121.389 121.300 -0.121 0.000 2.350 409 W HA -0.154 4.506 4.660 0.000 0.000 0.289 409 W C 1.376 177.904 176.519 0.016 0.000 1.215 409 W CA 0.551 57.875 57.345 -0.035 0.000 1.236 409 W CB -0.912 28.542 29.460 -0.010 0.000 1.130 409 W HN -0.081 nan 8.180 nan 0.000 0.541 410 V N 1.614 120.931 119.914 -0.995 0.000 2.270 410 V HA -0.307 3.813 4.120 0.001 0.000 0.245 410 V C 2.378 178.308 176.094 -0.275 0.000 1.043 410 V CA 2.428 64.192 62.300 -0.893 0.000 1.014 410 V CB -1.365 29.951 31.823 -0.844 0.000 0.645 410 V HN 0.153 nan 8.190 nan 0.000 0.447 411 F N 0.860 120.708 119.950 -0.170 0.000 2.095 411 F HA -0.287 4.240 4.527 0.001 0.000 0.298 411 F C 2.591 178.354 175.800 -0.062 0.000 1.104 411 F CA 2.379 60.371 58.000 -0.013 0.000 1.232 411 F CB -0.287 38.720 39.000 0.011 0.000 0.987 411 F HN 0.130 nan 8.300 nan 0.000 0.475 412 Q N 0.891 120.727 119.800 0.059 0.000 2.096 412 Q HA -0.270 4.070 4.340 0.001 0.000 0.204 412 Q C 2.217 178.197 176.000 -0.032 0.000 0.982 412 Q CA 2.291 58.109 55.803 0.025 0.000 0.850 412 Q CB -0.549 28.243 28.738 0.090 0.000 0.901 412 Q HN 0.672 nan 8.270 nan 0.000 0.422 413 E N -1.306 118.889 120.200 -0.009 0.000 2.077 413 E HA -0.194 4.156 4.350 0.001 0.000 0.193 413 E C 1.884 178.442 176.600 -0.070 0.000 0.989 413 E CA 1.414 57.825 56.400 0.020 0.000 0.800 413 E CB -0.174 29.591 29.700 0.109 0.000 0.746 413 E HN 0.506 nan 8.360 nan 0.000 0.452 414 C N 0.894 120.081 119.300 -0.188 0.000 2.432 414 C HA -0.109 4.351 4.460 0.001 0.000 0.277 414 C C 2.654 177.535 174.990 -0.182 0.000 1.249 414 C CA 1.173 60.069 59.018 -0.204 0.000 1.725 414 C CB -0.842 26.735 27.740 -0.270 0.000 2.028 414 C HN 0.517 nan 8.230 nan 0.000 0.477 415 K N 0.959 121.180 120.400 -0.298 0.000 2.009 415 K HA -0.200 4.120 4.320 0.001 0.000 0.210 415 K C 1.576 178.123 176.600 -0.088 0.000 1.049 415 K CA 2.152 58.294 56.287 -0.242 0.000 0.929 415 K CB -0.306 32.022 32.500 -0.287 0.000 0.714 415 K HN 0.378 nan 8.250 nan 0.000 0.440 416 D N 0.643 121.014 120.400 -0.049 0.000 2.149 416 D HA -0.159 4.482 4.640 0.001 0.000 0.198 416 D C 1.922 178.238 176.300 0.026 0.000 0.990 416 D CA 0.787 54.789 54.000 0.004 0.000 0.839 416 D CB -0.089 40.730 40.800 0.032 0.000 0.948 416 D HN 0.145 nan 8.370 nan 0.000 0.460 417 L N 1.214 122.453 121.223 0.027 0.000 2.056 417 L HA -0.107 4.233 4.340 0.001 0.000 0.207 417 L C 1.838 178.765 176.870 0.096 0.000 1.078 417 L CA 1.401 56.282 54.840 0.068 0.000 0.749 417 L CB -1.256 40.840 42.059 0.063 0.000 0.901 417 L HN -0.026 nan 8.230 nan 0.000 0.433 418 N N -0.207 118.535 118.700 0.071 0.000 2.223 418 N HA -0.118 4.623 4.740 0.001 0.000 0.185 418 N C 1.805 177.406 175.510 0.153 0.000 1.016 418 N CA 1.369 54.506 53.050 0.145 0.000 0.863 418 N CB -0.185 38.343 38.487 0.069 0.000 0.983 418 N HN 0.363 nan 8.380 nan 0.000 0.429 419 A N 0.105 122.961 122.820 0.060 0.000 1.929 419 A HA -0.010 4.310 4.320 0.001 0.000 0.216 419 A C 2.397 179.964 177.584 -0.028 0.000 1.176 419 A CA 0.946 52.996 52.037 0.022 0.000 0.628 419 A CB -0.593 18.399 19.000 -0.013 0.000 0.816 419 A HN 0.088 nan 8.150 nan 0.000 0.444 420 V N -0.032 119.873 119.914 -0.015 0.000 2.307 420 V HA -0.232 3.888 4.120 0.001 0.000 0.245 420 V C 3.067 179.204 176.094 0.072 0.000 1.045 420 V CA 1.923 64.192 62.300 -0.053 0.000 1.024 420 V CB -1.204 30.627 31.823 0.013 0.000 0.651 420 V HN 0.593 nan 8.190 nan 0.000 0.449 421 A N -0.584 122.346 122.820 0.184 0.000 1.902 421 A HA -0.244 4.076 4.320 0.001 0.000 0.217 421 A C 2.118 179.703 177.584 0.002 0.000 1.181 421 A CA 2.047 54.235 52.037 0.251 0.000 0.623 421 A CB -0.712 18.509 19.000 0.368 0.000 0.818 421 A HN 0.510 nan 8.150 nan 0.000 0.443 422 F N 0.414 120.147 119.950 -0.362 0.000 2.146 422 F HA -0.098 4.430 4.527 0.001 0.000 0.298 422 F C 2.329 177.855 175.800 -0.456 0.000 1.096 422 F CA 1.786 59.357 58.000 -0.714 0.000 1.275 422 F CB -0.324 38.282 39.000 -0.657 0.000 1.008 422 F HN 0.205 nan 8.300 nan 0.000 0.480 423 R N -0.609 119.618 120.500 -0.454 0.000 2.083 423 R HA -0.182 4.158 4.340 0.001 0.000 0.237 423 R C 1.270 177.138 176.300 -0.720 0.000 1.137 423 R CA 2.050 57.705 56.100 -0.742 0.000 0.951 423 R CB -0.561 29.123 30.300 -1.028 0.000 0.851 423 R HN 0.357 nan 8.270 nan 0.000 0.434 424 F N 1.510 121.353 119.950 -0.178 0.000 2.750 424 F HA 0.186 4.714 4.527 0.000 0.000 0.297 424 F C 0.032 175.768 175.800 -0.107 0.000 1.138 424 F CA -0.897 57.053 58.000 -0.085 0.000 1.346 424 F CB 0.391 39.444 39.000 0.089 0.000 0.965 424 F HN -0.053 nan 8.300 nan 0.000 0.514 425 K N 0.157 120.498 120.400 -0.097 0.000 2.382 425 K HA 0.090 4.411 4.320 0.001 0.000 0.275 425 K C -0.466 176.067 176.600 -0.111 0.000 1.009 425 K CA -0.589 55.636 56.287 -0.102 0.000 0.970 425 K CB 0.653 33.045 32.500 -0.180 0.000 0.934 425 K HN -0.080 nan 8.250 nan 0.000 0.479 426 D N 2.367 122.698 120.400 -0.115 0.000 2.443 426 D HA -0.033 4.608 4.640 0.001 0.000 0.239 426 D C -0.126 176.067 176.300 -0.178 0.000 1.136 426 D CA 0.179 54.077 54.000 -0.169 0.000 0.879 426 D CB 0.864 41.540 40.800 -0.206 0.000 1.195 426 D HN 0.483 nan 8.370 nan 0.000 0.443 427 K N 1.805 122.094 120.400 -0.184 0.000 2.484 427 K HA -0.037 4.283 4.320 0.001 0.000 0.280 427 K C -0.338 176.120 176.600 -0.236 0.000 1.013 427 K CA -0.026 56.139 56.287 -0.203 0.000 1.029 427 K CB 0.441 32.870 32.500 -0.119 0.000 0.902 427 K HN 0.177 nan 8.250 nan 0.000 0.481 428 E N 3.095 123.088 120.200 -0.344 0.000 2.313 428 E HA 0.143 4.494 4.350 0.001 0.000 0.272 428 E C -0.584 175.897 176.600 -0.197 0.000 1.038 428 E CA -0.389 55.840 56.400 -0.284 0.000 0.863 428 E CB 0.821 30.261 29.700 -0.433 0.000 1.060 428 E HN 0.400 nan 8.360 nan 0.000 0.402 429 R N 3.900 124.342 120.500 -0.096 0.000 2.538 429 R HA -0.017 4.324 4.340 0.001 0.000 0.282 429 R C -1.652 174.652 176.300 0.007 0.000 1.009 429 R CA -0.933 55.145 56.100 -0.038 0.000 1.063 429 R CB -0.210 30.083 30.300 -0.012 0.000 0.945 429 R HN 0.437 nan 8.270 nan 0.000 0.414 430 P HA -0.237 nan 4.420 nan 0.000 0.214 430 P C 1.139 178.487 177.300 0.079 0.000 1.163 430 P CA 1.323 64.473 63.100 0.082 0.000 0.889 430 P CB 0.031 31.760 31.700 0.049 0.000 0.790 431 R N -0.503 120.023 120.500 0.043 0.000 2.080 431 R HA -0.112 4.228 4.340 0.001 0.000 0.236 431 R C 2.454 178.719 176.300 -0.058 0.000 1.137 431 R CA 2.132 58.245 56.100 0.021 0.000 0.943 431 R CB -1.309 29.046 30.300 0.093 0.000 0.846 431 R HN 0.187 nan 8.270 nan 0.000 0.431 432 G N -0.668 108.107 108.800 -0.041 0.000 2.422 432 G HA2 -0.309 3.651 3.960 0.001 0.000 0.218 432 G HA3 -0.309 3.651 3.960 0.001 0.000 0.218 432 G C 1.209 176.126 174.900 0.027 0.000 1.146 432 G CA 0.633 45.689 45.100 -0.074 0.000 0.769 432 G HN 0.388 nan 8.290 nan 0.000 0.547 433 Y N 2.644 122.905 120.300 -0.065 0.000 2.163 433 Y HA -0.178 4.372 4.550 0.001 0.000 0.288 433 Y C 3.223 179.104 175.900 -0.031 0.000 1.136 433 Y CA 1.944 60.026 58.100 -0.030 0.000 1.147 433 Y CB -0.714 37.742 38.460 -0.005 0.000 0.987 433 Y HN 0.309 nan 8.280 nan 0.000 0.509 434 T N -3.215 111.318 114.554 -0.035 0.000 2.777 434 T HA -0.189 4.161 4.350 0.001 0.000 0.266 434 T C 2.271 176.908 174.700 -0.104 0.000 1.040 434 T CA 1.493 63.515 62.100 -0.130 0.000 1.141 434 T CB -1.063 67.735 68.868 -0.117 0.000 0.868 434 T HN 0.311 nan 8.240 nan 0.000 0.444 435 S N 1.556 117.204 115.700 -0.088 0.000 2.356 435 S HA -0.172 4.298 4.470 0.001 0.000 0.223 435 S C 2.158 176.749 174.600 -0.016 0.000 1.032 435 S CA 1.859 60.025 58.200 -0.056 0.000 1.005 435 S CB -0.489 62.517 63.200 -0.324 0.000 0.867 435 S HN 0.530 nan 8.310 nan 0.000 0.449 436 K N 1.175 121.550 120.400 -0.043 0.000 2.026 436 K HA 0.070 4.390 4.320 0.001 0.000 0.208 436 K C 1.907 178.470 176.600 -0.062 0.000 1.048 436 K CA 1.897 58.169 56.287 -0.025 0.000 0.929 436 K CB -0.788 31.706 32.500 -0.011 0.000 0.713 436 K HN 0.551 nan 8.250 nan 0.000 0.439 437 I N 0.688 121.171 120.570 -0.146 0.000 2.226 437 I HA -0.251 3.920 4.170 0.001 0.000 0.245 437 I C 2.294 178.345 176.117 -0.112 0.000 1.100 437 I CA 1.203 62.401 61.300 -0.170 0.000 1.374 437 I CB -0.466 37.348 38.000 -0.311 0.000 1.057 437 I HN 0.265 nan 8.210 nan 0.000 0.413 438 A N 1.023 123.785 122.820 -0.097 0.000 1.948 438 A HA -0.183 4.137 4.320 0.001 0.000 0.220 438 A C 2.438 179.997 177.584 -0.041 0.000 1.177 438 A CA 2.069 54.056 52.037 -0.083 0.000 0.636 438 A CB -1.463 17.517 19.000 -0.032 0.000 0.815 438 A HN 0.486 nan 8.150 nan 0.000 0.449 439 G N 0.630 109.438 108.800 0.014 0.000 2.421 439 G HA2 -0.169 3.791 3.960 0.001 0.000 0.216 439 G HA3 -0.169 3.791 3.960 0.001 0.000 0.216 439 G C 1.455 176.438 174.900 0.138 0.000 1.171 439 G CA 1.169 46.291 45.100 0.038 0.000 0.775 439 G HN 0.763 nan 8.290 nan 0.000 0.543 440 I N -1.353 119.273 120.570 0.094 0.000 3.059 440 I HA 0.193 4.363 4.170 0.001 0.000 0.270 440 I C 2.323 178.575 176.117 0.225 0.000 1.238 440 I CA 0.283 61.723 61.300 0.232 0.000 1.478 440 I CB -0.383 37.730 38.000 0.188 0.000 1.097 440 I HN 0.027 nan 8.210 nan 0.000 0.455 441 L N 1.186 122.413 121.223 0.007 0.000 2.187 441 L HA -0.199 4.141 4.340 0.001 0.000 0.213 441 L C 2.593 179.352 176.870 -0.185 0.000 1.100 441 L CA 1.199 55.970 54.840 -0.114 0.000 0.765 441 L CB -0.895 41.024 42.059 -0.233 0.000 0.904 441 L HN 0.401 nan 8.230 nan 0.000 0.437 442 H N -2.081 116.975 119.070 -0.023 0.000 2.547 442 H HA -0.051 4.505 4.556 0.001 0.000 0.272 442 H C 1.104 176.157 175.328 -0.460 0.000 0.989 442 H CA 1.029 56.950 56.048 -0.212 0.000 1.214 442 H CB 0.242 29.817 29.762 -0.310 0.000 1.389 442 H HN 0.430 nan 8.280 nan 0.000 0.577 443 Y N -1.739 118.466 120.300 -0.159 0.000 2.430 443 Y HA 0.160 4.710 4.550 0.000 0.000 0.254 443 Y C -0.220 175.142 175.900 -0.897 0.000 1.088 443 Y CA -0.251 57.517 58.100 -0.553 0.000 1.267 443 Y CB 0.787 38.762 38.460 -0.809 0.000 1.204 443 Y HN -0.071 nan 8.280 nan 0.000 0.515 444 Y N -0.182 120.110 120.300 -0.012 0.000 2.492 444 Y HA 0.517 5.067 4.550 0.001 0.000 0.346 444 Y C -2.533 173.348 175.900 -0.031 0.000 0.997 444 Y CA -3.813 54.243 58.100 -0.074 0.000 1.025 444 Y CB 0.920 39.298 38.460 -0.135 0.000 1.263 444 Y HN -0.229 nan 8.280 nan 0.000 0.454 445 P HA -0.006 nan 4.420 nan 0.000 0.267 445 P C 0.694 178.037 177.300 0.072 0.000 1.200 445 P CA -0.157 62.995 63.100 0.087 0.000 0.772 445 P CB 0.750 32.507 31.700 0.094 0.000 0.855 446 L N 2.516 123.760 121.223 0.035 0.000 2.085 446 L HA -0.246 4.094 4.340 0.001 0.000 0.218 446 L C 1.840 178.719 176.870 0.014 0.000 1.080 446 L CA 2.070 56.920 54.840 0.015 0.000 0.776 446 L CB -1.404 40.661 42.059 0.010 0.000 0.891 446 L HN 0.470 nan 8.230 nan 0.000 0.437 447 E N -1.078 119.140 120.200 0.030 0.000 2.371 447 E HA -0.070 4.280 4.350 0.001 0.000 0.194 447 E C 1.588 178.188 176.600 0.001 0.000 1.012 447 E CA 0.493 56.909 56.400 0.027 0.000 0.860 447 E CB -0.001 29.731 29.700 0.053 0.000 0.811 447 E HN 0.535 nan 8.360 nan 0.000 0.502 448 E N 0.038 120.243 120.200 0.008 0.000 2.476 448 E HA -0.007 4.343 4.350 0.001 0.000 0.196 448 E C 1.552 178.077 176.600 -0.125 0.000 1.029 448 E CA 0.232 56.610 56.400 -0.036 0.000 0.896 448 E CB 0.619 30.347 29.700 0.046 0.000 1.012 448 E HN 0.208 nan 8.360 nan 0.000 0.475 449 V N -1.460 118.400 119.914 -0.091 0.000 2.548 449 V HA -0.164 3.956 4.120 0.001 0.000 0.249 449 V C 1.868 177.855 176.094 -0.177 0.000 1.055 449 V CA 0.902 63.131 62.300 -0.117 0.000 1.065 449 V CB -0.309 31.482 31.823 -0.052 0.000 0.681 449 V HN 0.146 nan 8.190 nan 0.000 0.462 450 L N 1.991 123.124 121.223 -0.151 0.000 2.156 450 L HA -0.001 4.339 4.340 0.001 0.000 0.208 450 L C 2.727 179.528 176.870 -0.116 0.000 1.095 450 L CA 2.415 57.218 54.840 -0.062 0.000 0.770 450 L CB -1.364 40.659 42.059 -0.060 0.000 0.914 450 L HN 0.729 nan 8.230 nan 0.000 0.439 451 T N -4.938 109.417 114.554 -0.333 0.000 3.037 451 T HA 0.173 4.523 4.350 0.001 0.000 0.252 451 T C 1.949 176.377 174.700 -0.454 0.000 1.073 451 T CA 0.486 62.192 62.100 -0.656 0.000 1.091 451 T CB -0.171 68.357 68.868 -0.566 0.000 0.935 451 T HN 0.121 nan 8.240 nan 0.000 0.488 452 A N 2.253 124.782 122.820 -0.484 0.000 1.927 452 A HA -0.151 4.170 4.320 0.001 0.000 0.220 452 A C 1.928 179.197 177.584 -0.525 0.000 1.185 452 A CA 1.694 53.279 52.037 -0.753 0.000 0.639 452 A CB -0.594 17.316 19.000 -1.818 0.000 0.820 452 A HN 0.622 nan 8.150 nan 0.000 0.451 453 E N -2.956 117.004 120.200 -0.399 0.000 2.496 453 E HA 0.275 4.625 4.350 0.001 0.000 0.202 453 E C -0.099 176.263 176.600 -0.397 0.000 1.021 453 E CA -0.212 55.993 56.400 -0.324 0.000 1.015 453 E CB 0.277 29.806 29.700 -0.284 0.000 1.102 453 E HN 0.746 nan 8.360 nan 0.000 0.452 454 Y N -0.837 119.304 120.300 -0.265 0.000 2.817 454 Y HA 0.239 4.789 4.550 0.001 0.000 0.257 454 Y C 0.604 176.367 175.900 -0.227 0.000 1.055 454 Y CA -0.145 57.820 58.100 -0.225 0.000 1.319 454 Y CB 0.662 38.952 38.460 -0.284 0.000 1.481 454 Y HN -0.091 nan 8.280 nan 0.000 0.471 455 L N 1.709 122.870 121.223 -0.102 0.000 2.418 455 L HA 0.315 4.655 4.340 0.001 0.000 0.265 455 L C -0.698 176.146 176.870 -0.044 0.000 1.143 455 L CA -0.119 54.660 54.840 -0.103 0.000 0.809 455 L CB 0.893 42.839 42.059 -0.188 0.000 1.124 455 L HN 0.051 nan 8.230 nan 0.000 0.456 456 L N 1.383 122.586 121.223 -0.033 0.000 2.408 456 L HA 0.312 4.652 4.340 0.001 0.000 0.268 456 L C -0.116 176.806 176.870 0.087 0.000 0.986 456 L CA -0.161 54.682 54.840 0.004 0.000 0.820 456 L CB 2.609 44.545 42.059 -0.205 0.000 1.303 456 L HN 0.656 nan 8.230 nan 0.000 0.411 457 E N 1.130 121.480 120.200 0.250 0.000 2.520 457 E HA 0.092 4.443 4.350 0.001 0.000 0.201 457 E C -0.557 176.231 176.600 0.313 0.000 0.894 457 E CA 0.176 56.705 56.400 0.214 0.000 1.161 457 E CB 0.750 30.506 29.700 0.092 0.000 1.137 457 E HN 0.617 nan 8.360 nan 0.000 0.510 458 E N 0.081 120.451 120.200 0.285 0.000 2.248 458 E HA 0.183 4.533 4.350 0.001 0.000 0.267 458 E C -1.042 175.401 176.600 -0.263 0.000 0.877 458 E CA -0.898 55.556 56.400 0.090 0.000 0.759 458 E CB 1.290 30.990 29.700 0.001 0.000 1.182 458 E HN -0.020 nan 8.360 nan 0.000 0.418 459 F N 3.158 122.646 119.950 -0.770 0.000 2.506 459 F HA 0.226 4.753 4.527 0.001 0.000 0.371 459 F C -0.007 175.421 175.800 -0.619 0.000 1.078 459 F CA -0.562 56.711 58.000 -1.212 0.000 1.195 459 F CB 0.446 38.950 39.000 -0.826 0.000 1.099 459 F HN 0.390 nan 8.300 nan 0.000 0.548 460 R N 8.232 128.121 120.500 -1.017 0.000 2.564 460 R HA 0.197 4.537 4.340 0.001 0.000 0.282 460 R C -2.039 173.722 176.300 -0.897 0.000 1.573 460 R CA -1.506 54.139 56.100 -0.758 0.000 1.588 460 R CB 0.682 30.717 30.300 -0.442 0.000 1.154 460 R HN 0.397 nan 8.270 nan 0.000 0.606 461 P HA -0.187 nan 4.420 nan 0.000 0.219 461 P C 0.751 177.743 177.300 -0.514 0.000 1.146 461 P CA 1.270 63.814 63.100 -0.926 0.000 0.808 461 P CB 0.291 31.554 31.700 -0.729 0.000 0.779 462 D N 0.222 120.371 120.400 -0.417 0.000 2.144 462 D HA -0.132 4.508 4.640 0.001 0.000 0.200 462 D C 2.061 178.179 176.300 -0.304 0.000 0.978 462 D CA 0.927 54.751 54.000 -0.294 0.000 0.833 462 D CB -1.074 39.585 40.800 -0.235 0.000 0.961 462 D HN 0.222 nan 8.370 nan 0.000 0.470 463 L N 0.109 121.103 121.223 -0.382 0.000 2.109 463 L HA -0.020 4.321 4.340 0.001 0.000 0.207 463 L C 2.805 179.480 176.870 -0.326 0.000 1.086 463 L CA 0.491 55.082 54.840 -0.416 0.000 0.760 463 L CB -0.296 41.425 42.059 -0.563 0.000 0.910 463 L HN -0.060 nan 8.230 nan 0.000 0.437 464 I N -0.042 120.317 120.570 -0.352 0.000 2.226 464 I HA -0.279 3.892 4.170 0.001 0.000 0.245 464 I C 2.405 178.397 176.117 -0.207 0.000 1.100 464 I CA 1.438 62.569 61.300 -0.281 0.000 1.374 464 I CB -0.234 37.494 38.000 -0.452 0.000 1.057 464 I HN 0.289 nan 8.210 nan 0.000 0.413 465 E N 0.279 120.347 120.200 -0.220 0.000 2.152 465 E HA -0.219 4.132 4.350 0.001 0.000 0.192 465 E C 2.207 178.721 176.600 -0.144 0.000 0.983 465 E CA 0.945 57.248 56.400 -0.161 0.000 0.818 465 E CB -0.176 29.433 29.700 -0.152 0.000 0.758 465 E HN 0.421 nan 8.360 nan 0.000 0.467 466 M N 1.282 120.786 119.600 -0.160 0.000 2.117 466 M HA -0.143 4.337 4.480 0.001 0.000 0.262 466 M C 2.146 178.378 176.300 -0.114 0.000 1.065 466 M CA 1.424 56.646 55.300 -0.130 0.000 1.114 466 M CB -0.154 32.357 32.600 -0.150 0.000 1.361 466 M HN 0.006 nan 8.290 nan 0.000 0.408 467 V N 0.839 120.676 119.914 -0.129 0.000 2.270 467 V HA -0.262 3.858 4.120 0.001 0.000 0.245 467 V C 2.519 178.491 176.094 -0.203 0.000 1.043 467 V CA 1.241 63.467 62.300 -0.123 0.000 1.014 467 V CB -1.065 30.710 31.823 -0.081 0.000 0.645 467 V HN 0.414 nan 8.190 nan 0.000 0.447 468 L N 0.738 121.839 121.223 -0.203 0.000 2.081 468 L HA -0.229 4.111 4.340 0.001 0.000 0.212 468 L C 2.051 178.808 176.870 -0.189 0.000 1.080 468 L CA 2.212 56.917 54.840 -0.223 0.000 0.754 468 L CB -1.052 40.919 42.059 -0.147 0.000 0.893 468 L HN 0.426 nan 8.230 nan 0.000 0.433 469 D N -1.287 119.031 120.400 -0.137 0.000 2.218 469 D HA -0.167 4.473 4.640 0.001 0.000 0.204 469 D C 1.908 178.153 176.300 -0.092 0.000 0.976 469 D CA 0.748 54.689 54.000 -0.098 0.000 0.853 469 D CB 0.198 40.953 40.800 -0.075 0.000 0.939 469 D HN 0.111 nan 8.370 nan 0.000 0.481 470 K N -0.186 120.142 120.400 -0.120 0.000 2.288 470 K HA 0.042 4.362 4.320 0.001 0.000 0.201 470 K C 0.619 177.096 176.600 -0.205 0.000 1.048 470 K CA 0.255 56.484 56.287 -0.097 0.000 0.956 470 K CB -0.115 32.346 32.500 -0.066 0.000 0.746 470 K HN 0.315 nan 8.250 nan 0.000 0.461 471 L N 2.523 123.496 121.223 -0.416 0.000 2.423 471 L HA 0.183 4.523 4.340 0.001 0.000 0.249 471 L C 0.006 176.696 176.870 -0.300 0.000 1.276 471 L CA -0.063 54.244 54.840 -0.888 0.000 1.199 471 L CB -0.268 41.219 42.059 -0.954 0.000 1.407 471 L HN -0.082 nan 8.230 nan 0.000 0.410 472 R N 0.970 121.509 120.500 0.064 0.000 2.771 472 R HA 0.359 4.699 4.340 0.001 0.000 0.274 472 R C -1.914 174.597 176.300 0.352 0.000 0.987 472 R CA -1.748 54.482 56.100 0.216 0.000 0.908 472 R CB 1.885 32.221 30.300 0.059 0.000 1.213 472 R HN -0.134 nan 8.270 nan 0.000 0.468 473 P HA -0.259 nan 4.420 nan 0.000 0.216 473 P C 0.921 178.337 177.300 0.194 0.000 1.153 473 P CA 1.310 64.397 63.100 -0.022 0.000 0.858 473 P CB 0.211 31.776 31.700 -0.225 0.000 0.789 474 E N 0.849 121.120 120.200 0.119 0.000 2.333 474 E HA -0.203 4.148 4.350 0.001 0.000 0.198 474 E C 0.525 177.220 176.600 0.158 0.000 1.007 474 E CA 1.425 57.896 56.400 0.118 0.000 0.845 474 E CB -1.393 28.347 29.700 0.066 0.000 0.766 474 E HN 0.540 nan 8.360 nan 0.000 0.507 475 N N 0.149 118.993 118.700 0.239 0.000 2.389 475 N HA 0.195 4.935 4.740 0.001 0.000 0.260 475 N C -0.543 175.141 175.510 0.289 0.000 1.191 475 N CA -0.435 52.769 53.050 0.257 0.000 0.885 475 N CB 1.182 39.790 38.487 0.202 0.000 1.162 475 N HN -0.076 nan 8.380 nan 0.000 0.512 476 V N 0.715 120.767 119.914 0.229 0.000 2.617 476 V HA 0.456 4.577 4.120 0.001 0.000 0.298 476 V C -0.471 175.649 176.094 0.043 0.000 1.048 476 V CA -0.707 61.594 62.300 0.001 0.000 0.964 476 V CB 1.420 33.306 31.823 0.106 0.000 1.004 476 V HN 0.356 nan 8.190 nan 0.000 0.466 477 R N 3.695 124.174 120.500 -0.036 0.000 2.534 477 R HA 0.732 5.072 4.340 0.001 0.000 0.301 477 R C -1.687 174.655 176.300 0.069 0.000 0.961 477 R CA -0.600 55.562 56.100 0.103 0.000 0.871 477 R CB 2.295 32.695 30.300 0.167 0.000 1.170 477 R HN 0.519 nan 8.270 nan 0.000 0.446 478 V N 1.905 121.914 119.914 0.158 0.000 2.540 478 V HA 0.723 4.843 4.120 0.001 0.000 0.302 478 V C -0.532 175.711 176.094 0.248 0.000 1.035 478 V CA -0.783 61.603 62.300 0.143 0.000 0.873 478 V CB 1.762 33.670 31.823 0.141 0.000 0.992 478 V HN 0.913 nan 8.190 nan 0.000 0.428 479 A N 6.067 129.032 122.820 0.242 0.000 2.356 479 A HA 0.911 5.232 4.320 0.001 0.000 0.310 479 A C -0.910 176.833 177.584 0.265 0.000 1.075 479 A CA -0.503 51.704 52.037 0.284 0.000 0.746 479 A CB 0.945 20.084 19.000 0.232 0.000 1.221 479 A HN 0.764 nan 8.150 nan 0.000 0.443 480 I N 2.536 123.251 120.570 0.242 0.000 2.378 480 I HA 0.403 4.573 4.170 0.001 0.000 0.291 480 I C -0.731 175.606 176.117 0.366 0.000 0.992 480 I CA -0.937 60.527 61.300 0.273 0.000 1.154 480 I CB 1.986 40.192 38.000 0.342 0.000 1.315 480 I HN 0.285 nan 8.210 nan 0.000 0.448 481 V N 5.049 125.147 119.914 0.306 0.000 2.370 481 V HA 0.597 4.717 4.120 0.001 0.000 0.283 481 V C -0.081 176.137 176.094 0.206 0.000 1.023 481 V CA -0.184 62.293 62.300 0.294 0.000 0.857 481 V CB 1.374 33.360 31.823 0.271 0.000 0.985 481 V HN 0.831 nan 8.190 nan 0.000 0.443 482 S N 4.251 120.073 115.700 0.203 0.000 2.542 482 S HA 0.357 4.828 4.470 0.001 0.000 0.276 482 S C 0.415 174.969 174.600 -0.078 0.000 1.148 482 S CA -0.795 57.377 58.200 -0.048 0.000 0.886 482 S CB 1.805 64.827 63.200 -0.297 0.000 1.109 482 S HN 0.559 nan 8.310 nan 0.000 0.458 483 K N 2.053 122.411 120.400 -0.071 0.000 2.281 483 K HA -0.068 4.252 4.320 0.001 0.000 0.203 483 K C 2.139 178.672 176.600 -0.112 0.000 1.046 483 K CA 1.575 57.832 56.287 -0.050 0.000 0.938 483 K CB -0.717 31.764 32.500 -0.033 0.000 0.737 483 K HN 0.833 nan 8.250 nan 0.000 0.458 484 S N 0.202 115.746 115.700 -0.260 0.000 2.493 484 S HA -0.107 4.363 4.470 0.001 0.000 0.243 484 S C 1.613 176.036 174.600 -0.295 0.000 0.991 484 S CA 0.765 58.776 58.200 -0.315 0.000 0.957 484 S CB -0.652 62.288 63.200 -0.433 0.000 0.756 484 S HN 0.297 nan 8.310 nan 0.000 0.521 485 F N 1.225 121.189 119.950 0.024 0.000 2.765 485 F HA 0.363 4.890 4.527 0.001 0.000 0.302 485 F C 1.115 176.928 175.800 0.022 0.000 1.111 485 F CA -0.622 57.393 58.000 0.026 0.000 1.359 485 F CB -0.059 38.968 39.000 0.044 0.000 1.097 485 F HN 0.201 nan 8.300 nan 0.000 0.577 486 E N 0.679 120.960 120.200 0.135 0.000 2.558 486 E HA 0.170 4.520 4.350 0.001 0.000 0.255 486 E C 1.286 177.929 176.600 0.072 0.000 0.968 486 E CA 1.054 57.507 56.400 0.089 0.000 0.939 486 E CB 0.225 29.953 29.700 0.046 0.000 0.921 486 E HN 0.444 nan 8.360 nan 0.000 0.477 487 G N 4.198 113.035 108.800 0.061 0.000 2.189 487 G HA2 -0.350 3.610 3.960 0.001 0.000 0.267 487 G HA3 -0.350 3.610 3.960 0.001 0.000 0.267 487 G C 0.683 175.612 174.900 0.048 0.000 0.975 487 G CA 0.807 45.932 45.100 0.042 0.000 0.644 487 G HN 0.546 nan 8.290 nan 0.000 0.537 488 K N 0.731 121.180 120.400 0.082 0.000 2.440 488 K HA 0.337 4.657 4.320 0.001 0.000 0.206 488 K C 0.953 177.574 176.600 0.035 0.000 1.025 488 K CA 0.760 57.093 56.287 0.077 0.000 1.135 488 K CB 0.736 33.328 32.500 0.153 0.000 0.856 488 K HN 0.591 nan 8.250 nan 0.000 0.502 489 T N -1.827 112.737 114.554 0.017 0.000 2.918 489 T HA 0.356 4.706 4.350 0.001 0.000 0.286 489 T C 0.115 174.768 174.700 -0.078 0.000 1.026 489 T CA -0.815 61.261 62.100 -0.039 0.000 1.031 489 T CB 1.743 70.603 68.868 -0.013 0.000 1.046 489 T HN 0.083 nan 8.240 nan 0.000 0.479 490 D N -0.210 120.104 120.400 -0.143 0.000 2.503 490 D HA 0.178 4.818 4.640 0.001 0.000 0.218 490 D C 0.353 176.528 176.300 -0.208 0.000 1.183 490 D CA -0.464 53.451 54.000 -0.143 0.000 0.827 490 D CB 0.318 41.049 40.800 -0.115 0.000 1.034 490 D HN 0.507 nan 8.370 nan 0.000 0.510 491 R N -0.806 119.488 120.500 -0.344 0.000 2.837 491 R HA 0.748 5.089 4.340 0.001 0.000 0.271 491 R C -1.017 175.101 176.300 -0.304 0.000 0.993 491 R CA -0.727 55.101 56.100 -0.453 0.000 0.931 491 R CB 2.174 31.915 30.300 -0.931 0.000 1.206 491 R HN -0.167 nan 8.270 nan 0.000 0.474 492 T N 0.917 115.410 114.554 -0.102 0.000 2.937 492 T HA 0.117 4.468 4.350 0.001 0.000 0.297 492 T C -0.934 173.858 174.700 0.154 0.000 0.991 492 T CA -0.710 61.424 62.100 0.057 0.000 0.990 492 T CB 1.693 70.556 68.868 -0.008 0.000 0.991 492 T HN 0.362 nan 8.240 nan 0.000 0.440 493 E N 2.823 123.180 120.200 0.261 0.000 2.360 493 E HA 0.037 4.387 4.350 0.001 0.000 0.269 493 E C 1.139 177.736 176.600 -0.005 0.000 1.022 493 E CA -0.050 56.437 56.400 0.144 0.000 0.887 493 E CB 0.896 30.647 29.700 0.086 0.000 0.990 493 E HN 0.876 nan 8.360 nan 0.000 0.426 494 E N 3.423 123.520 120.200 -0.172 0.000 2.072 494 E HA -0.178 4.173 4.350 0.001 0.000 0.191 494 E C 1.405 177.711 176.600 -0.491 0.000 0.985 494 E CA 1.002 57.148 56.400 -0.424 0.000 0.801 494 E CB -0.324 28.960 29.700 -0.693 0.000 0.750 494 E HN 0.616 nan 8.360 nan 0.000 0.452 495 W N -0.371 120.837 121.300 -0.153 0.000 2.476 495 W HA 0.052 4.712 4.660 0.001 0.000 0.281 495 W C 1.463 177.800 176.519 -0.305 0.000 1.230 495 W CA 0.148 57.265 57.345 -0.380 0.000 1.287 495 W CB -0.078 28.899 29.460 -0.806 0.000 1.108 495 W HN 0.065 nan 8.180 nan 0.000 0.567 496 Y N -1.038 119.311 120.300 0.083 0.000 2.498 496 Y HA 0.335 4.885 4.550 0.000 0.000 0.259 496 Y C 1.999 177.910 175.900 0.019 0.000 1.086 496 Y CA 0.493 58.637 58.100 0.073 0.000 1.287 496 Y CB 0.289 38.806 38.460 0.094 0.000 1.146 496 Y HN -0.001 nan 8.280 nan 0.000 0.523 497 G N 0.527 109.406 108.800 0.131 0.000 2.132 497 G HA2 -0.267 3.693 3.960 0.001 0.000 0.234 497 G HA3 -0.267 3.693 3.960 0.001 0.000 0.234 497 G C 0.104 175.065 174.900 0.101 0.000 0.989 497 G CA 0.217 45.357 45.100 0.067 0.000 0.676 497 G HN 0.207 nan 8.290 nan 0.000 0.522 498 T N 2.305 116.945 114.554 0.143 0.000 2.902 498 T HA 0.373 4.723 4.350 0.001 0.000 0.301 498 T C 0.416 175.248 174.700 0.219 0.000 1.012 498 T CA 0.283 62.468 62.100 0.142 0.000 1.151 498 T CB 1.032 69.944 68.868 0.074 0.000 0.946 498 T HN 0.329 nan 8.240 nan 0.000 0.542 499 Q N 2.963 122.873 119.800 0.183 0.000 2.256 499 Q HA 0.466 4.807 4.340 0.001 0.000 0.254 499 Q C -0.511 175.646 176.000 0.263 0.000 0.916 499 Q CA -0.461 55.447 55.803 0.175 0.000 0.932 499 Q CB 1.227 30.023 28.738 0.096 0.000 1.207 499 Q HN 0.864 nan 8.270 nan 0.000 0.426 500 Y N -1.314 118.999 120.300 0.022 0.000 2.750 500 Y HA 0.665 5.215 4.550 0.001 0.000 0.335 500 Y C -1.649 174.248 175.900 -0.005 0.000 1.252 500 Y CA -1.262 56.846 58.100 0.013 0.000 1.064 500 Y CB 1.587 40.069 38.460 0.036 0.000 1.321 500 Y HN 0.434 nan 8.280 nan 0.000 0.451 501 K N 1.719 122.098 120.400 -0.037 0.000 2.464 501 K HA 0.415 4.735 4.320 0.001 0.000 0.253 501 K C -1.933 174.679 176.600 0.021 0.000 0.933 501 K CA -0.745 55.460 56.287 -0.138 0.000 0.801 501 K CB 2.580 34.984 32.500 -0.160 0.000 1.271 501 K HN 0.962 nan 8.250 nan 0.000 0.430 502 Q N 3.048 122.827 119.800 -0.034 0.000 2.353 502 Q HA 0.351 4.691 4.340 0.001 0.000 0.268 502 Q C -1.503 174.400 176.000 -0.162 0.000 1.045 502 Q CA -0.507 55.237 55.803 -0.099 0.000 0.811 502 Q CB 1.901 30.674 28.738 0.059 0.000 1.305 502 Q HN 0.629 nan 8.270 nan 0.000 0.447 503 E N 1.361 121.419 120.200 -0.236 0.000 2.356 503 E HA 0.577 4.927 4.350 0.001 0.000 0.275 503 E C -1.395 175.106 176.600 -0.165 0.000 0.904 503 E CA -1.030 55.274 56.400 -0.161 0.000 0.757 503 E CB 1.987 31.608 29.700 -0.131 0.000 1.232 503 E HN 0.751 nan 8.360 nan 0.000 0.442 504 A N 2.600 125.355 122.820 -0.109 0.000 2.488 504 A HA 0.218 4.538 4.320 0.001 0.000 0.249 504 A C 0.112 177.650 177.584 -0.076 0.000 1.083 504 A CA -0.091 51.897 52.037 -0.083 0.000 0.768 504 A CB -0.280 18.684 19.000 -0.061 0.000 1.017 504 A HN 0.565 nan 8.150 nan 0.000 0.496 505 I N 3.989 124.527 120.570 -0.053 0.000 2.598 505 I HA 0.112 4.282 4.170 0.001 0.000 0.284 505 I C -1.829 174.235 176.117 -0.087 0.000 1.140 505 I CA -1.351 59.918 61.300 -0.053 0.000 1.420 505 I CB 0.557 38.567 38.000 0.017 0.000 1.387 505 I HN 0.451 nan 8.210 nan 0.000 0.553 506 P HA 0.018 nan 4.420 nan 0.000 0.268 506 P C 0.077 177.290 177.300 -0.144 0.000 1.205 506 P CA -0.112 62.916 63.100 -0.119 0.000 0.771 506 P CB 0.545 32.171 31.700 -0.122 0.000 0.858 507 D N 1.884 122.222 120.400 -0.104 0.000 2.190 507 D HA -0.179 4.461 4.640 0.001 0.000 0.200 507 D C 1.569 177.793 176.300 -0.128 0.000 0.992 507 D CA 1.259 55.201 54.000 -0.097 0.000 0.854 507 D CB 0.001 40.761 40.800 -0.066 0.000 0.936 507 D HN 0.529 nan 8.370 nan 0.000 0.462 508 E N 0.486 120.605 120.200 -0.136 0.000 2.152 508 E HA -0.077 4.273 4.350 0.001 0.000 0.192 508 E C 2.355 178.816 176.600 -0.232 0.000 0.983 508 E CA 0.343 56.657 56.400 -0.143 0.000 0.818 508 E CB -0.617 29.017 29.700 -0.110 0.000 0.758 508 E HN 0.201 nan 8.360 nan 0.000 0.467 509 V N 1.919 121.634 119.914 -0.331 0.000 2.379 509 V HA -0.179 3.941 4.120 0.001 0.000 0.245 509 V C 2.461 178.064 176.094 -0.818 0.000 1.044 509 V CA 1.057 62.979 62.300 -0.631 0.000 1.036 509 V CB -0.346 31.064 31.823 -0.689 0.000 0.664 509 V HN 0.160 nan 8.190 nan 0.000 0.453 510 I N 0.476 120.768 120.570 -0.463 0.000 2.179 510 I HA -0.254 3.916 4.170 0.001 0.000 0.242 510 I C 2.447 178.489 176.117 -0.124 0.000 1.088 510 I CA 1.892 63.076 61.300 -0.193 0.000 1.357 510 I CB -1.191 36.773 38.000 -0.061 0.000 1.051 510 I HN 0.383 nan 8.210 nan 0.000 0.409 511 K N 1.511 121.829 120.400 -0.135 0.000 2.032 511 K HA -0.215 4.105 4.320 0.001 0.000 0.209 511 K C 2.151 178.712 176.600 -0.066 0.000 1.048 511 K CA 1.650 57.888 56.287 -0.082 0.000 0.927 511 K CB 0.011 32.467 32.500 -0.073 0.000 0.712 511 K HN 0.197 nan 8.250 nan 0.000 0.441 512 K N -0.450 119.879 120.400 -0.119 0.000 2.057 512 K HA -0.160 4.160 4.320 0.001 0.000 0.207 512 K C 2.013 178.674 176.600 0.100 0.000 1.049 512 K CA 1.626 57.888 56.287 -0.042 0.000 0.931 512 K CB -0.179 32.271 32.500 -0.084 0.000 0.714 512 K HN 0.287 nan 8.250 nan 0.000 0.440 513 W N 1.909 123.195 121.300 -0.024 0.000 2.338 513 W HA -0.147 4.513 4.660 0.001 0.000 0.304 513 W C 1.997 178.380 176.519 -0.226 0.000 1.212 513 W CA 0.811 58.098 57.345 -0.097 0.000 1.264 513 W CB -0.986 28.338 29.460 -0.228 0.000 1.142 513 W HN 0.265 nan 8.180 nan 0.000 0.512 514 Q N -0.363 119.445 119.800 0.012 0.000 2.135 514 Q HA -0.165 4.175 4.340 0.001 0.000 0.204 514 Q C 1.440 177.446 176.000 0.010 0.000 0.981 514 Q CA 1.233 57.010 55.803 -0.043 0.000 0.856 514 Q CB -0.445 28.271 28.738 -0.037 0.000 0.902 514 Q HN 0.202 nan 8.270 nan 0.000 0.425 515 N N 0.255 118.980 118.700 0.042 0.000 2.449 515 N HA 0.097 4.837 4.740 0.001 0.000 0.191 515 N C -0.569 174.992 175.510 0.085 0.000 1.161 515 N CA 0.174 53.255 53.050 0.052 0.000 0.863 515 N CB 0.156 38.668 38.487 0.042 0.000 0.980 515 N HN 0.128 nan 8.380 nan 0.000 0.458 516 A N 1.652 124.546 122.820 0.123 0.000 2.545 516 A HA 0.081 4.402 4.320 0.001 0.000 0.253 516 A C 0.740 178.396 177.584 0.119 0.000 1.074 516 A CA -0.088 52.046 52.037 0.163 0.000 0.760 516 A CB 0.051 19.198 19.000 0.245 0.000 1.005 516 A HN 0.343 nan 8.150 nan 0.000 0.506 517 D N 2.156 122.618 120.400 0.103 0.000 2.607 517 D HA 0.444 5.085 4.640 0.001 0.000 0.253 517 D C -0.241 176.114 176.300 0.091 0.000 1.171 517 D CA -0.676 53.374 54.000 0.083 0.000 1.084 517 D CB -0.022 40.813 40.800 0.057 0.000 1.203 517 D HN 0.362 nan 8.370 nan 0.000 0.629 518 L N 0.625 121.891 121.223 0.071 0.000 2.367 518 L HA 0.253 4.593 4.340 0.001 0.000 0.275 518 L C 0.593 177.501 176.870 0.064 0.000 1.129 518 L CA -0.528 54.360 54.840 0.081 0.000 0.839 518 L CB 0.002 42.095 42.059 0.057 0.000 1.133 518 L HN 0.315 nan 8.230 nan 0.000 0.453 519 N N 1.955 120.708 118.700 0.088 0.000 2.444 519 N HA 0.178 4.918 4.740 0.001 0.000 0.262 519 N C 0.826 176.303 175.510 -0.055 0.000 0.974 519 N CA -0.225 52.809 53.050 -0.027 0.000 0.933 519 N CB 2.059 40.486 38.487 -0.099 0.000 1.137 519 N HN 0.734 nan 8.380 nan 0.000 0.498 520 G N 2.789 111.550 108.800 -0.066 0.000 2.708 520 G HA2 -0.152 3.808 3.960 0.001 0.000 0.210 520 G HA3 -0.152 3.808 3.960 0.001 0.000 0.210 520 G C 1.131 175.981 174.900 -0.084 0.000 1.141 520 G CA 0.429 45.503 45.100 -0.043 0.000 0.788 520 G HN 0.588 nan 8.290 nan 0.000 0.531 521 K N -0.486 119.778 120.400 -0.227 0.000 2.418 521 K HA 0.127 4.447 4.320 0.001 0.000 0.195 521 K C -0.235 176.245 176.600 -0.201 0.000 1.035 521 K CA 0.030 56.142 56.287 -0.291 0.000 1.003 521 K CB 0.178 32.415 32.500 -0.439 0.000 0.793 521 K HN 0.375 nan 8.250 nan 0.000 0.494 522 F N 1.588 121.595 119.950 0.095 0.000 2.385 522 F HA 0.251 4.778 4.527 0.001 0.000 0.360 522 F C 0.107 175.957 175.800 0.083 0.000 1.122 522 F CA -1.040 57.052 58.000 0.154 0.000 1.090 522 F CB 1.082 40.199 39.000 0.195 0.000 1.150 522 F HN -0.383 nan 8.300 nan 0.000 0.472 523 K N 2.987 123.576 120.400 0.315 0.000 2.426 523 K HA 0.514 4.834 4.320 0.001 0.000 0.251 523 K C -1.092 175.621 176.600 0.188 0.000 0.941 523 K CA -0.837 55.560 56.287 0.183 0.000 0.808 523 K CB 1.700 34.286 32.500 0.143 0.000 1.265 523 K HN 0.278 nan 8.250 nan 0.000 0.432 524 L N 3.226 124.528 121.223 0.132 0.000 2.483 524 L HA 0.202 4.542 4.340 0.001 0.000 0.275 524 L C -1.922 175.031 176.870 0.139 0.000 1.220 524 L CA -1.322 53.598 54.840 0.133 0.000 0.833 524 L CB -0.653 41.515 42.059 0.181 0.000 1.102 524 L HN 0.541 nan 8.230 nan 0.000 0.490 525 P HA 0.089 nan 4.420 nan 0.000 0.266 525 P C -0.457 176.997 177.300 0.257 0.000 1.193 525 P CA -0.195 62.894 63.100 -0.019 0.000 0.770 525 P CB 0.165 31.660 31.700 -0.342 0.000 0.836 526 T N -0.776 113.896 114.554 0.196 0.000 2.788 526 T HA 0.336 4.686 4.350 0.001 0.000 0.280 526 T C 0.224 175.052 174.700 0.213 0.000 0.984 526 T CA -0.889 61.294 62.100 0.138 0.000 0.972 526 T CB 0.473 69.378 68.868 0.060 0.000 1.039 526 T HN 0.131 nan 8.240 nan 0.000 0.530 527 K N 1.400 121.782 120.400 -0.030 0.000 2.448 527 K HA 0.072 4.392 4.320 0.001 0.000 0.278 527 K C 0.137 176.828 176.600 0.152 0.000 1.009 527 K CA -0.062 56.246 56.287 0.036 0.000 0.995 527 K CB 0.051 32.444 32.500 -0.179 0.000 0.917 527 K HN 0.642 nan 8.250 nan 0.000 0.481 528 N N 3.172 122.015 118.700 0.237 0.000 2.411 528 N HA -0.009 4.731 4.740 0.001 0.000 0.259 528 N C -0.320 175.260 175.510 0.117 0.000 1.103 528 N CA 0.203 53.377 53.050 0.207 0.000 0.954 528 N CB 1.066 39.697 38.487 0.239 0.000 1.085 528 N HN 0.651 nan 8.380 nan 0.000 0.485 529 E N 2.444 122.672 120.200 0.048 0.000 2.474 529 E HA 0.163 4.514 4.350 0.001 0.000 0.195 529 E C 0.323 176.829 176.600 -0.157 0.000 1.039 529 E CA 0.119 56.472 56.400 -0.079 0.000 0.881 529 E CB 0.042 29.648 29.700 -0.157 0.000 0.970 529 E HN 0.606 nan 8.360 nan 0.000 0.486 530 F N 0.088 120.026 119.950 -0.020 0.000 2.765 530 F HA 0.253 4.780 4.527 0.000 0.000 0.302 530 F C 0.402 176.198 175.800 -0.007 0.000 1.111 530 F CA -0.286 57.695 58.000 -0.032 0.000 1.359 530 F CB 0.391 39.354 39.000 -0.061 0.000 1.097 530 F HN -0.091 nan 8.300 nan 0.000 0.577 531 I N 3.797 124.460 120.570 0.156 0.000 2.741 531 I HA -0.032 4.139 4.170 0.001 0.000 0.288 531 I C -1.911 174.221 176.117 0.025 0.000 1.192 531 I CA -1.523 59.837 61.300 0.099 0.000 1.426 531 I CB 0.074 38.127 38.000 0.088 0.000 1.367 531 I HN -0.165 nan 8.210 nan 0.000 0.563 532 P HA 0.169 nan 4.420 nan 0.000 0.278 532 P C 0.063 177.134 177.300 -0.380 0.000 1.238 532 P CA -0.283 62.686 63.100 -0.219 0.000 0.794 532 P CB 1.268 32.767 31.700 -0.335 0.000 0.955 533 T N -2.704 111.522 114.554 -0.546 0.000 2.992 533 T HA 0.109 4.459 4.350 0.001 0.000 0.255 533 T C 0.536 174.789 174.700 -0.745 0.000 0.938 533 T CA 0.027 61.824 62.100 -0.506 0.000 0.895 533 T CB -0.370 68.385 68.868 -0.188 0.000 1.221 533 T HN 0.286 nan 8.240 nan 0.000 0.512 534 N N 1.009 119.275 118.700 -0.723 0.000 2.439 534 N HA 0.389 5.129 4.740 0.001 0.000 0.249 534 N C -0.945 174.192 175.510 -0.621 0.000 1.003 534 N CA -1.250 51.494 53.050 -0.510 0.000 0.942 534 N CB 0.171 38.514 38.487 -0.241 0.000 1.115 534 N HN 0.296 nan 8.380 nan 0.000 0.505 535 F N 0.406 120.317 119.950 -0.065 0.000 2.698 535 F HA 0.251 4.778 4.527 0.000 0.000 0.304 535 F C 1.012 176.770 175.800 -0.070 0.000 1.108 535 F CA -0.612 57.301 58.000 -0.146 0.000 1.263 535 F CB 0.180 39.071 39.000 -0.181 0.000 1.013 535 F HN 0.393 nan 8.300 nan 0.000 0.532 536 E N 2.504 122.750 120.200 0.078 0.000 2.417 536 E HA 0.036 4.386 4.350 0.001 0.000 0.261 536 E C -0.134 176.510 176.600 0.074 0.000 1.000 536 E CA -0.316 56.130 56.400 0.077 0.000 0.919 536 E CB 0.599 30.325 29.700 0.043 0.000 0.955 536 E HN 0.038 nan 8.360 nan 0.000 0.455 537 I N 6.610 127.238 120.570 0.097 0.000 2.322 537 I HA 0.085 4.255 4.170 0.001 0.000 0.292 537 I C 0.413 176.590 176.117 0.101 0.000 1.060 537 I CA -0.269 61.102 61.300 0.118 0.000 1.309 537 I CB -0.051 38.050 38.000 0.168 0.000 1.415 537 I HN 0.537 nan 8.210 nan 0.000 0.492 538 L N 8.734 130.015 121.223 0.096 0.000 2.490 538 L HA 0.159 4.499 4.340 0.001 0.000 0.274 538 L C -1.630 175.301 176.870 0.101 0.000 1.201 538 L CA -1.443 53.448 54.840 0.085 0.000 0.869 538 L CB -0.298 41.810 42.059 0.082 0.000 1.123 538 L HN 0.387 nan 8.230 nan 0.000 0.484 539 P HA 0.001 nan 4.420 nan 0.000 0.269 539 P C -0.464 176.891 177.300 0.092 0.000 1.209 539 P CA -0.635 62.506 63.100 0.068 0.000 0.776 539 P CB 0.629 32.353 31.700 0.039 0.000 0.876 540 L N 2.795 124.079 121.223 0.101 0.000 2.513 540 L HA 0.002 4.342 4.340 0.001 0.000 0.272 540 L C 0.960 177.876 176.870 0.078 0.000 1.187 540 L CA 0.564 55.470 54.840 0.109 0.000 0.895 540 L CB -0.994 41.135 42.059 0.117 0.000 1.147 540 L HN 0.371 nan 8.230 nan 0.000 0.483 541 E N 3.355 123.608 120.200 0.089 0.000 2.415 541 E HA 0.016 4.367 4.350 0.001 0.000 0.262 541 E C 1.185 177.820 176.600 0.058 0.000 1.038 541 E CA 0.450 56.897 56.400 0.078 0.000 0.921 541 E CB 0.484 30.251 29.700 0.111 0.000 0.950 541 E HN 0.640 nan 8.360 nan 0.000 0.438 542 K N 2.921 123.348 120.400 0.045 0.000 2.044 542 K HA -0.218 4.102 4.320 0.001 0.000 0.210 542 K C 1.467 178.087 176.600 0.033 0.000 1.049 542 K CA 2.198 58.505 56.287 0.032 0.000 0.927 542 K CB -0.789 31.727 32.500 0.026 0.000 0.713 542 K HN 0.577 nan 8.250 nan 0.000 0.443 543 E N 0.205 120.432 120.200 0.044 0.000 2.476 543 E HA 0.437 4.787 4.350 0.001 0.000 0.191 543 E C 0.734 177.364 176.600 0.051 0.000 1.064 543 E CA 0.173 56.600 56.400 0.045 0.000 0.866 543 E CB -0.744 28.986 29.700 0.050 0.000 0.952 543 E HN 0.569 nan 8.360 nan 0.000 0.492 544 A N 1.423 124.273 122.820 0.050 0.000 2.609 544 A HA 0.259 4.580 4.320 0.001 0.000 0.232 544 A C 0.666 178.232 177.584 -0.029 0.000 1.041 544 A CA 0.702 52.751 52.037 0.019 0.000 0.753 544 A CB -0.178 18.830 19.000 0.014 0.000 0.966 544 A HN 0.333 nan 8.150 nan 0.000 0.510 545 T N 0.277 114.781 114.554 -0.084 0.000 2.887 545 T HA 0.636 4.986 4.350 0.001 0.000 0.288 545 T C -2.219 172.363 174.700 -0.196 0.000 1.021 545 T CA -1.617 60.415 62.100 -0.112 0.000 1.000 545 T CB 1.726 70.539 68.868 -0.092 0.000 1.034 545 T HN 0.306 nan 8.240 nan 0.000 0.467 546 P HA 0.059 nan 4.420 nan 0.000 0.218 546 P C -0.530 176.438 177.300 -0.552 0.000 1.149 546 P CA 1.012 63.856 63.100 -0.425 0.000 0.817 546 P CB -0.043 31.307 31.700 -0.583 0.000 0.785 547 Y N -2.365 117.762 120.300 -0.288 0.000 2.633 547 Y HA 0.478 5.028 4.550 0.000 0.000 0.339 547 Y C -2.299 173.151 175.900 -0.750 0.000 1.045 547 Y CA -3.441 54.284 58.100 -0.625 0.000 1.098 547 Y CB -0.145 38.038 38.460 -0.462 0.000 1.296 547 Y HN -0.341 nan 8.280 nan 0.000 0.494 548 P HA 0.258 nan 4.420 nan 0.000 0.268 548 P C -1.165 176.051 177.300 -0.140 0.000 1.204 548 P CA 0.013 62.740 63.100 -0.621 0.000 0.768 548 P CB 0.538 31.791 31.700 -0.746 0.000 0.842 549 A N 3.383 126.237 122.820 0.057 0.000 2.325 549 A HA 0.556 4.876 4.320 0.001 0.000 0.333 549 A C -0.814 176.851 177.584 0.135 0.000 1.155 549 A CA -0.697 51.438 52.037 0.165 0.000 0.814 549 A CB 0.440 19.494 19.000 0.090 0.000 1.206 549 A HN 0.555 nan 8.150 nan 0.000 0.482 550 L N 3.212 124.360 121.223 -0.126 0.000 2.283 550 L HA 0.453 4.794 4.340 0.001 0.000 0.287 550 L C 0.521 177.224 176.870 -0.278 0.000 1.073 550 L CA 0.192 54.671 54.840 -0.602 0.000 0.822 550 L CB 0.174 41.657 42.059 -0.961 0.000 1.186 550 L HN 0.674 nan 8.230 nan 0.000 0.436 551 I N 0.879 121.327 120.570 -0.204 0.000 4.139 551 I HA 0.411 4.582 4.170 0.001 0.000 0.335 551 I C 0.248 176.297 176.117 -0.114 0.000 1.327 551 I CA -0.250 60.992 61.300 -0.096 0.000 1.112 551 I CB 0.020 38.016 38.000 -0.008 0.000 1.058 551 I HN 0.462 nan 8.210 nan 0.000 0.396 552 K N 1.609 121.914 120.400 -0.158 0.000 2.553 552 K HA 0.290 4.610 4.320 0.001 0.000 0.250 552 K C -1.791 174.722 176.600 -0.145 0.000 0.953 552 K CA -0.400 55.818 56.287 -0.116 0.000 0.800 552 K CB 1.957 34.414 32.500 -0.072 0.000 1.243 552 K HN -0.018 nan 8.250 nan 0.000 0.435 553 D N 3.158 123.497 120.400 -0.102 0.000 2.517 553 D HA 0.139 4.779 4.640 0.001 0.000 0.263 553 D C -0.739 175.549 176.300 -0.021 0.000 1.233 553 D CA -0.014 53.937 54.000 -0.082 0.000 0.849 553 D CB 0.874 41.598 40.800 -0.126 0.000 1.261 553 D HN 0.597 nan 8.370 nan 0.000 0.516 554 T N -2.305 112.263 114.554 0.023 0.000 2.919 554 T HA 0.719 5.070 4.350 0.001 0.000 0.282 554 T C 1.546 176.310 174.700 0.107 0.000 1.020 554 T CA -0.102 62.026 62.100 0.046 0.000 0.994 554 T CB 1.456 70.348 68.868 0.041 0.000 1.180 554 T HN -0.032 nan 8.240 nan 0.000 0.566 555 A N 0.314 123.190 122.820 0.093 0.000 1.877 555 A HA 0.008 4.329 4.320 0.001 0.000 0.216 555 A C 2.339 180.071 177.584 0.246 0.000 1.186 555 A CA 1.812 53.919 52.037 0.115 0.000 0.620 555 A CB -0.983 18.062 19.000 0.076 0.000 0.822 555 A HN 0.889 nan 8.150 nan 0.000 0.443 556 M N -0.965 118.756 119.600 0.201 0.000 2.388 556 M HA 0.020 4.500 4.480 0.001 0.000 0.265 556 M C 0.436 176.822 176.300 0.144 0.000 1.088 556 M CA 1.245 56.674 55.300 0.216 0.000 1.134 556 M CB 0.203 32.886 32.600 0.138 0.000 1.384 556 M HN 0.489 nan 8.290 nan 0.000 0.447 557 S N 0.319 116.072 115.700 0.088 0.000 2.566 557 S HA 0.361 4.831 4.470 0.001 0.000 0.273 557 S C -1.245 173.348 174.600 -0.012 0.000 1.157 557 S CA -0.980 57.185 58.200 -0.059 0.000 0.938 557 S CB 1.745 64.948 63.200 0.004 0.000 1.087 557 S HN 0.210 nan 8.310 nan 0.000 0.474 558 K N 2.693 123.055 120.400 -0.062 0.000 2.339 558 K HA 0.482 4.803 4.320 0.001 0.000 0.264 558 K C -1.593 174.974 176.600 -0.054 0.000 0.986 558 K CA -0.791 55.483 56.287 -0.022 0.000 0.866 558 K CB 1.403 33.986 32.500 0.139 0.000 1.103 558 K HN 0.617 nan 8.250 nan 0.000 0.441 559 L N 5.182 126.303 121.223 -0.170 0.000 2.298 559 L HA 0.434 4.775 4.340 0.001 0.000 0.284 559 L C -1.594 175.143 176.870 -0.223 0.000 1.013 559 L CA -0.382 54.404 54.840 -0.091 0.000 0.824 559 L CB 0.480 42.518 42.059 -0.036 0.000 1.221 559 L HN 0.468 nan 8.230 nan 0.000 0.418 560 W N 5.725 127.107 121.300 0.137 0.000 2.365 560 W HA 0.518 5.179 4.660 0.000 0.000 0.316 560 W C -0.600 176.014 176.519 0.157 0.000 1.164 560 W CA -0.192 57.233 57.345 0.134 0.000 1.204 560 W CB 1.086 30.647 29.460 0.167 0.000 1.213 560 W HN 0.431 nan 8.180 nan 0.000 0.539 561 F N 3.997 124.040 119.950 0.156 0.000 2.574 561 F HA 0.564 5.091 4.527 0.000 0.000 0.313 561 F C -1.116 174.693 175.800 0.015 0.000 1.130 561 F CA -1.525 56.517 58.000 0.070 0.000 0.936 561 F CB 1.454 40.475 39.000 0.035 0.000 1.219 561 F HN 0.267 nan 8.300 nan 0.000 0.445 562 K N 5.367 125.222 120.400 -0.908 0.000 2.553 562 K HA 0.233 4.554 4.320 0.001 0.000 0.250 562 K C -1.612 174.498 176.600 -0.816 0.000 0.953 562 K CA -0.676 55.065 56.287 -0.910 0.000 0.800 562 K CB 2.059 34.242 32.500 -0.530 0.000 1.243 562 K HN 0.902 nan 8.250 nan 0.000 0.435 563 Q N 3.225 122.562 119.800 -0.771 0.000 2.288 563 Q HA 0.037 4.377 4.340 0.001 0.000 0.258 563 Q C -0.755 175.191 176.000 -0.089 0.000 0.957 563 Q CA -0.318 55.340 55.803 -0.242 0.000 0.919 563 Q CB 0.940 29.663 28.738 -0.026 0.000 1.185 563 Q HN 0.575 nan 8.270 nan 0.000 0.408 564 D N 3.044 123.421 120.400 -0.037 0.000 2.531 564 D HA -0.122 4.518 4.640 0.001 0.000 0.239 564 D C -0.323 175.806 176.300 -0.284 0.000 1.144 564 D CA 0.425 54.356 54.000 -0.114 0.000 0.869 564 D CB 0.679 41.371 40.800 -0.181 0.000 1.160 564 D HN 0.594 nan 8.370 nan 0.000 0.484 565 D N 2.139 122.330 120.400 -0.349 0.000 2.571 565 D HA 0.120 4.761 4.640 0.001 0.000 0.239 565 D C 0.451 176.406 176.300 -0.575 0.000 1.267 565 D CA -0.263 53.522 54.000 -0.359 0.000 0.823 565 D CB 0.220 40.961 40.800 -0.099 0.000 1.056 565 D HN 0.368 nan 8.370 nan 0.000 0.494 566 K N -1.105 118.693 120.400 -1.002 0.000 2.485 566 K HA 0.293 4.614 4.320 0.001 0.000 0.200 566 K C 0.729 176.675 176.600 -1.091 0.000 1.352 566 K CA 0.163 55.843 56.287 -1.012 0.000 0.953 566 K CB 0.560 32.234 32.500 -1.378 0.000 1.387 566 K HN -0.047 nan 8.250 nan 0.000 0.512 567 F N -0.549 119.022 119.950 -0.631 0.000 2.553 567 F HA 0.275 4.803 4.527 0.001 0.000 0.282 567 F C -0.154 175.558 175.800 -0.146 0.000 1.089 567 F CA -0.369 57.464 58.000 -0.279 0.000 1.411 567 F CB 0.270 39.146 39.000 -0.207 0.000 1.125 567 F HN -0.192 nan 8.300 nan 0.000 0.610 568 F N 1.312 121.332 119.950 0.117 0.000 3.074 568 F HA -0.225 4.302 4.527 0.000 0.000 0.287 568 F C -0.413 175.444 175.800 0.096 0.000 0.932 568 F CA -0.331 57.713 58.000 0.074 0.000 0.995 568 F CB -2.181 36.844 39.000 0.042 0.000 0.966 568 F HN -0.135 nan 8.300 nan 0.000 0.721 569 L N 2.285 123.604 121.223 0.160 0.000 2.331 569 L HA 0.481 4.821 4.340 0.001 0.000 0.275 569 L C -1.703 175.172 176.870 0.007 0.000 1.022 569 L CA -2.009 52.894 54.840 0.104 0.000 0.812 569 L CB 1.491 43.602 42.059 0.086 0.000 1.257 569 L HN -0.275 nan 8.230 nan 0.000 0.435 570 P HA 0.158 nan 4.420 nan 0.000 0.230 570 P C -1.110 176.212 177.300 0.037 0.000 1.791 570 P CA 0.026 63.106 63.100 -0.035 0.000 1.020 570 P CB -0.076 31.569 31.700 -0.093 0.000 1.977 571 K N 0.848 121.232 120.400 -0.027 0.000 2.512 571 K HA 0.847 5.168 4.320 0.001 0.000 0.263 571 K C -1.095 175.458 176.600 -0.079 0.000 0.966 571 K CA -0.903 55.333 56.287 -0.085 0.000 0.851 571 K CB 2.751 35.138 32.500 -0.189 0.000 1.395 571 K HN 0.113 nan 8.250 nan 0.000 0.440 572 A N 0.585 123.356 122.820 -0.082 0.000 2.587 572 A HA 0.644 4.964 4.320 0.001 0.000 0.293 572 A C -1.453 176.080 177.584 -0.086 0.000 1.087 572 A CA -0.676 51.314 52.037 -0.077 0.000 0.692 572 A CB 1.194 20.192 19.000 -0.004 0.000 1.291 572 A HN 0.727 nan 8.150 nan 0.000 0.407 573 C N 1.562 120.807 119.300 -0.092 0.000 2.281 573 C HA 0.636 5.096 4.460 0.001 0.000 0.325 573 C C -0.220 174.728 174.990 -0.071 0.000 1.282 573 C CA -0.401 58.564 59.018 -0.088 0.000 1.640 573 C CB -0.668 27.012 27.740 -0.100 0.000 2.288 573 C HN 0.603 nan 8.230 nan 0.000 0.507 574 L N 4.678 125.848 121.223 -0.088 0.000 2.295 574 L HA 0.447 4.787 4.340 0.001 0.000 0.281 574 L C -0.299 176.363 176.870 -0.346 0.000 1.018 574 L CA -0.019 54.733 54.840 -0.146 0.000 0.841 574 L CB 0.160 42.292 42.059 0.121 0.000 1.218 574 L HN 0.732 nan 8.230 nan 0.000 0.424 575 N N 3.318 121.620 118.700 -0.664 0.000 2.362 575 N HA 0.687 5.427 4.740 0.001 0.000 0.298 575 N C -1.463 173.491 175.510 -0.927 0.000 1.048 575 N CA -0.563 51.994 53.050 -0.821 0.000 0.858 575 N CB 1.925 39.563 38.487 -1.414 0.000 1.218 575 N HN 0.264 nan 8.380 nan 0.000 0.488 576 F N 0.741 120.567 119.950 -0.208 0.000 2.536 576 F HA 0.242 4.769 4.527 0.001 0.000 0.322 576 F C -0.041 175.797 175.800 0.063 0.000 1.144 576 F CA -0.822 57.100 58.000 -0.130 0.000 0.924 576 F CB 1.873 40.663 39.000 -0.349 0.000 1.181 576 F HN 0.349 nan 8.300 nan 0.000 0.438 577 E N 3.218 123.587 120.200 0.283 0.000 2.109 577 E HA 0.465 4.815 4.350 0.001 0.000 0.278 577 E C -1.595 174.804 176.600 -0.335 0.000 0.954 577 E CA -0.348 56.089 56.400 0.063 0.000 0.779 577 E CB 0.577 30.256 29.700 -0.035 0.000 1.093 577 E HN 0.318 nan 8.360 nan 0.000 0.401 578 F N 5.065 124.962 119.950 -0.087 0.000 2.385 578 F HA 0.382 4.909 4.527 0.001 0.000 0.360 578 F C -0.411 175.302 175.800 -0.145 0.000 1.122 578 F CA -0.662 57.323 58.000 -0.025 0.000 1.090 578 F CB 0.530 39.581 39.000 0.086 0.000 1.150 578 F HN 0.362 nan 8.300 nan 0.000 0.472 579 F N 2.018 122.206 119.950 0.396 0.000 2.420 579 F HA 0.476 5.003 4.527 0.001 0.000 0.352 579 F C 0.495 176.497 175.800 0.335 0.000 1.108 579 F CA -0.422 57.787 58.000 0.347 0.000 1.162 579 F CB 1.363 40.534 39.000 0.284 0.000 1.118 579 F HN 0.350 nan 8.300 nan 0.000 0.510 580 S N 3.842 119.832 115.700 0.483 0.000 2.548 580 S HA 0.474 4.945 4.470 0.001 0.000 0.276 580 S C -2.211 172.622 174.600 0.389 0.000 1.129 580 S CA -1.463 56.991 58.200 0.424 0.000 0.931 580 S CB 1.830 65.271 63.200 0.402 0.000 1.068 580 S HN 0.239 nan 8.310 nan 0.000 0.480 581 P HA 0.064 nan 4.420 nan 0.000 0.222 581 P C 0.544 177.824 177.300 -0.033 0.000 1.147 581 P CA 0.914 64.056 63.100 0.070 0.000 0.790 581 P CB -0.076 31.519 31.700 -0.175 0.000 0.780 582 F N -0.838 119.288 119.950 0.294 0.000 2.811 582 F HA 0.159 4.686 4.527 0.001 0.000 0.301 582 F C 2.193 178.331 175.800 0.562 0.000 1.151 582 F CA 0.347 58.571 58.000 0.374 0.000 1.412 582 F CB -0.855 38.333 39.000 0.314 0.000 1.113 582 F HN -0.079 nan 8.300 nan 0.000 0.579 583 A N -1.439 121.745 122.820 0.606 0.000 2.016 583 A HA -0.115 4.205 4.320 0.001 0.000 0.217 583 A C 1.378 179.348 177.584 0.643 0.000 1.162 583 A CA 1.112 53.522 52.037 0.622 0.000 0.662 583 A CB -0.546 18.751 19.000 0.494 0.000 0.812 583 A HN 0.520 nan 8.150 nan 0.000 0.450 584 Y N -1.906 118.637 120.300 0.405 0.000 2.767 584 Y HA 0.244 4.795 4.550 0.001 0.000 0.254 584 Y C 1.474 177.680 175.900 0.511 0.000 1.133 584 Y CA 0.105 58.476 58.100 0.453 0.000 1.225 584 Y CB 0.805 39.507 38.460 0.404 0.000 1.312 584 Y HN 0.031 nan 8.280 nan 0.000 0.560 585 V N 0.869 120.973 119.914 0.316 0.000 2.287 585 V HA -0.177 3.944 4.120 0.001 0.000 0.248 585 V C 0.418 176.578 176.094 0.110 0.000 1.053 585 V CA 2.571 64.954 62.300 0.138 0.000 1.027 585 V CB -0.152 31.576 31.823 -0.159 0.000 0.646 585 V HN 0.618 nan 8.190 nan 0.000 0.447 586 D N -3.508 116.802 120.400 -0.150 0.000 2.610 586 D HA 0.351 4.991 4.640 0.001 0.000 0.271 586 D C -2.405 173.305 176.300 -0.984 0.000 1.174 586 D CA -1.802 51.776 54.000 -0.702 0.000 0.949 586 D CB 0.708 41.244 40.800 -0.439 0.000 1.430 586 D HN -0.074 nan 8.370 nan 0.000 0.467 587 P HA -0.079 nan 4.420 nan 0.000 0.216 587 P C 1.745 178.851 177.300 -0.323 0.000 1.150 587 P CA 0.787 63.398 63.100 -0.815 0.000 0.837 587 P CB 0.149 31.485 31.700 -0.607 0.000 0.786 588 L N -1.127 119.959 121.223 -0.229 0.000 2.043 588 L HA -0.215 4.125 4.340 0.001 0.000 0.212 588 L C 2.284 179.078 176.870 -0.128 0.000 1.075 588 L CA 2.022 56.800 54.840 -0.102 0.000 0.752 588 L CB -1.116 40.928 42.059 -0.025 0.000 0.891 588 L HN 0.132 nan 8.230 nan 0.000 0.432 589 H N -2.708 116.265 119.070 -0.161 0.000 2.436 589 H HA -0.112 4.444 4.556 0.001 0.000 0.294 589 H C 2.347 177.631 175.328 -0.073 0.000 1.048 589 H CA 1.204 57.183 56.048 -0.115 0.000 1.353 589 H CB -0.082 29.777 29.762 0.162 0.000 1.414 589 H HN 0.484 nan 8.280 nan 0.000 0.536 590 C N 1.453 120.820 119.300 0.111 0.000 2.436 590 C HA -0.135 4.325 4.460 0.001 0.000 0.277 590 C C 2.567 177.626 174.990 0.116 0.000 1.241 590 C CA 0.973 60.106 59.018 0.192 0.000 1.721 590 C CB -0.775 27.042 27.740 0.127 0.000 2.043 590 C HN 0.574 nan 8.230 nan 0.000 0.472 591 N N 0.379 119.113 118.700 0.056 0.000 2.094 591 N HA -0.142 4.598 4.740 0.001 0.000 0.191 591 N C 1.666 177.147 175.510 -0.048 0.000 1.023 591 N CA 1.723 54.837 53.050 0.107 0.000 0.857 591 N CB -0.469 38.098 38.487 0.133 0.000 1.013 591 N HN 0.572 nan 8.380 nan 0.000 0.426 592 M N 0.266 119.715 119.600 -0.251 0.000 2.287 592 M HA 0.088 4.568 4.480 0.001 0.000 0.266 592 M C 1.111 177.240 176.300 -0.285 0.000 1.079 592 M CA 0.176 55.202 55.300 -0.456 0.000 1.146 592 M CB -0.075 31.848 32.600 -1.129 0.000 1.374 592 M HN 0.021 nan 8.290 nan 0.000 0.435 596 Y N 0.976 121.332 120.300 0.092 0.000 2.070 596 Y HA -0.187 4.363 4.550 0.001 0.000 0.280 596 Y C 2.098 178.011 175.900 0.022 0.000 1.148 596 Y CA 2.354 60.548 58.100 0.157 0.000 1.125 596 Y CB -0.598 38.021 38.460 0.265 0.000 0.975 596 Y HN 0.151 nan 8.280 nan 0.000 0.492 597 L N 1.014 122.028 121.223 -0.348 0.000 2.079 597 L HA -0.191 4.149 4.340 0.001 0.000 0.210 597 L C 2.447 179.168 176.870 -0.247 0.000 1.081 597 L CA 1.743 56.319 54.840 -0.439 0.000 0.752 597 L CB -1.390 40.517 42.059 -0.253 0.000 0.896 597 L HN 0.296 nan 8.230 nan 0.000 0.433 598 E N -0.533 119.585 120.200 -0.137 0.000 2.077 598 E HA -0.158 4.193 4.350 0.001 0.000 0.193 598 E C 2.421 178.995 176.600 -0.043 0.000 0.989 598 E CA 0.931 57.278 56.400 -0.088 0.000 0.800 598 E CB -0.257 29.390 29.700 -0.089 0.000 0.746 598 E HN 0.422 nan 8.360 nan 0.000 0.452 599 L N 0.276 121.511 121.223 0.020 0.000 2.093 599 L HA -0.167 4.173 4.340 0.001 0.000 0.208 599 L C 2.501 179.396 176.870 0.043 0.000 1.085 599 L CA 0.408 55.343 54.840 0.158 0.000 0.755 599 L CB -0.299 42.007 42.059 0.411 0.000 0.904 599 L HN 0.131 nan 8.230 nan 0.000 0.435 600 L N -0.024 120.982 121.223 -0.362 0.000 2.005 600 L HA -0.206 4.135 4.340 0.001 0.000 0.207 600 L C 2.494 179.228 176.870 -0.228 0.000 1.072 600 L CA 1.825 56.271 54.840 -0.656 0.000 0.744 600 L CB -0.522 40.994 42.059 -0.905 0.000 0.895 600 L HN 0.077 nan 8.230 nan 0.000 0.433 601 K N -0.528 119.795 120.400 -0.129 0.000 2.059 601 K HA -0.285 4.036 4.320 0.001 0.000 0.212 601 K C 1.908 178.525 176.600 0.028 0.000 1.050 601 K CA 2.039 58.330 56.287 0.007 0.000 0.927 601 K CB -0.482 31.992 32.500 -0.042 0.000 0.714 601 K HN 0.480 nan 8.250 nan 0.000 0.447 602 D N 0.398 120.806 120.400 0.014 0.000 2.123 602 D HA -0.155 4.485 4.640 0.001 0.000 0.196 602 D C 1.989 178.336 176.300 0.078 0.000 0.992 602 D CA 1.797 55.824 54.000 0.045 0.000 0.833 602 D CB 0.037 40.869 40.800 0.054 0.000 0.954 602 D HN 0.185 nan 8.370 nan 0.000 0.455 603 S N -0.677 115.087 115.700 0.107 0.000 2.406 603 S HA -0.052 4.419 4.470 0.001 0.000 0.228 603 S C 2.122 176.786 174.600 0.106 0.000 1.020 603 S CA 0.374 58.658 58.200 0.141 0.000 0.965 603 S CB -0.504 62.863 63.200 0.278 0.000 0.798 603 S HN 0.361 nan 8.310 nan 0.000 0.488 604 L N 1.700 122.973 121.223 0.084 0.000 2.395 604 L HA 0.032 4.372 4.340 0.001 0.000 0.218 604 L C 2.794 179.786 176.870 0.203 0.000 1.130 604 L CA 0.557 55.467 54.840 0.115 0.000 0.826 604 L CB -0.672 41.434 42.059 0.078 0.000 0.941 604 L HN 0.530 nan 8.230 nan 0.000 0.451 605 N N 0.691 119.486 118.700 0.158 0.000 2.037 605 N HA -0.282 4.458 4.740 0.001 0.000 0.196 605 N C 1.596 177.211 175.510 0.174 0.000 1.034 605 N CA 1.887 55.024 53.050 0.146 0.000 0.861 605 N CB 0.059 38.586 38.487 0.067 0.000 1.039 605 N HN 0.420 nan 8.380 nan 0.000 0.427 606 E N -0.616 119.676 120.200 0.155 0.000 2.049 606 E HA -0.254 4.096 4.350 0.001 0.000 0.198 606 E C 1.928 178.694 176.600 0.276 0.000 1.007 606 E CA 1.547 58.053 56.400 0.176 0.000 0.809 606 E CB -0.315 29.477 29.700 0.152 0.000 0.749 606 E HN 0.510 nan 8.360 nan 0.000 0.450 607 Y N 0.666 121.059 120.300 0.156 0.000 2.145 607 Y HA -0.207 4.344 4.550 0.000 0.000 0.286 607 Y C 2.135 178.151 175.900 0.192 0.000 1.145 607 Y CA 1.659 59.877 58.100 0.196 0.000 1.148 607 Y CB -0.208 38.348 38.460 0.160 0.000 0.981 607 Y HN 0.002 nan 8.280 nan 0.000 0.507 608 A N -1.067 121.907 122.820 0.257 0.000 2.119 608 A HA -0.156 4.164 4.320 0.001 0.000 0.217 608 A C 1.925 179.511 177.584 0.002 0.000 1.153 608 A CA 1.046 53.118 52.037 0.059 0.000 0.692 608 A CB -1.310 17.861 19.000 0.285 0.000 0.799 608 A HN 0.742 nan 8.150 nan 0.000 0.458 609 Y N 0.734 121.013 120.300 -0.036 0.000 2.200 609 Y HA -0.093 4.458 4.550 0.001 0.000 0.290 609 Y C 2.579 178.427 175.900 -0.087 0.000 1.137 609 Y CA 1.059 59.112 58.100 -0.078 0.000 1.163 609 Y CB -0.537 37.860 38.460 -0.106 0.000 0.988 609 Y HN 0.310 nan 8.280 nan 0.000 0.518 610 A N 0.391 123.211 122.820 0.000 0.000 1.908 610 A HA -0.157 4.164 4.320 0.001 0.000 0.218 610 A C 2.433 179.952 177.584 -0.108 0.000 1.181 610 A CA 2.062 54.109 52.037 0.018 0.000 0.627 610 A CB -1.481 17.654 19.000 0.226 0.000 0.818 610 A HN 0.585 nan 8.150 nan 0.000 0.445 611 A N -0.285 122.308 122.820 -0.379 0.000 1.898 611 A HA -0.149 4.171 4.320 0.001 0.000 0.216 611 A C 2.013 179.400 177.584 -0.328 0.000 1.181 611 A CA 1.846 53.467 52.037 -0.693 0.000 0.620 611 A CB -0.514 17.633 19.000 -1.422 0.000 0.819 611 A HN 0.703 nan 8.150 nan 0.000 0.442 612 E N 0.089 120.116 120.200 -0.289 0.000 2.077 612 E HA -0.152 4.198 4.350 0.001 0.000 0.193 612 E C 1.838 178.314 176.600 -0.206 0.000 0.989 612 E CA 1.088 57.356 56.400 -0.220 0.000 0.800 612 E CB -0.311 29.252 29.700 -0.228 0.000 0.746 612 E HN 0.596 nan 8.360 nan 0.000 0.452 613 L N 0.436 121.480 121.223 -0.298 0.000 2.079 613 L HA -0.157 4.184 4.340 0.001 0.000 0.210 613 L C 2.286 179.149 176.870 -0.012 0.000 1.081 613 L CA 1.107 55.843 54.840 -0.173 0.000 0.752 613 L CB -0.387 41.569 42.059 -0.172 0.000 0.896 613 L HN 0.233 nan 8.230 nan 0.000 0.433 614 A N -0.387 122.445 122.820 0.019 0.000 2.327 614 A HA 0.359 4.680 4.320 0.001 0.000 0.228 614 A C 1.560 179.277 177.584 0.222 0.000 1.275 614 A CA 0.575 52.689 52.037 0.128 0.000 0.875 614 A CB -0.655 18.438 19.000 0.155 0.000 0.925 614 A HN 0.538 nan 8.150 nan 0.000 0.493 615 G N -1.227 107.654 108.800 0.133 0.000 2.147 615 G HA2 -0.194 3.766 3.960 0.001 0.000 0.244 615 G HA3 -0.194 3.766 3.960 0.001 0.000 0.244 615 G C -0.037 174.877 174.900 0.024 0.000 1.005 615 G CA 0.338 45.516 45.100 0.130 0.000 0.713 615 G HN 0.709 nan 8.290 nan 0.000 0.515 616 L N 2.015 123.231 121.223 -0.012 0.000 2.345 616 L HA 0.642 4.983 4.340 0.001 0.000 0.274 616 L C 0.477 177.289 176.870 -0.097 0.000 0.999 616 L CA -0.049 54.755 54.840 -0.061 0.000 0.849 616 L CB 1.374 43.369 42.059 -0.106 0.000 1.220 616 L HN 0.418 nan 8.230 nan 0.000 0.422 617 S N 3.385 119.049 115.700 -0.061 0.000 2.677 617 S HA 0.740 5.211 4.470 0.001 0.000 0.304 617 S C -0.919 173.725 174.600 0.073 0.000 1.108 617 S CA -0.630 57.554 58.200 -0.025 0.000 0.944 617 S CB 2.176 65.331 63.200 -0.075 0.000 1.127 617 S HN 0.531 nan 8.310 nan 0.000 0.511 618 Y N -0.896 119.343 120.300 -0.102 0.000 2.588 618 Y HA 0.805 5.355 4.550 0.000 0.000 0.343 618 Y C -1.687 174.160 175.900 -0.089 0.000 1.065 618 Y CA -0.985 57.056 58.100 -0.098 0.000 1.038 618 Y CB 1.553 39.957 38.460 -0.093 0.000 1.297 618 Y HN 0.634 nan 8.280 nan 0.000 0.467 619 D N 2.353 122.657 120.400 -0.159 0.000 2.502 619 D HA 0.450 5.090 4.640 0.001 0.000 0.249 619 D C -2.090 174.145 176.300 -0.110 0.000 1.092 619 D CA -0.269 53.600 54.000 -0.219 0.000 0.839 619 D CB 2.037 42.793 40.800 -0.075 0.000 1.264 619 D HN 0.659 nan 8.370 nan 0.000 0.511 620 L N 3.733 124.902 121.223 -0.090 0.000 2.372 620 L HA 0.459 4.799 4.340 0.001 0.000 0.273 620 L C -1.359 175.520 176.870 0.015 0.000 0.989 620 L CA -0.203 54.645 54.840 0.012 0.000 0.841 620 L CB 1.278 43.397 42.059 0.100 0.000 1.225 620 L HN 0.442 nan 8.230 nan 0.000 0.414 621 Q N 2.846 122.710 119.800 0.107 0.000 2.397 621 Q HA 0.427 4.768 4.340 0.001 0.000 0.275 621 Q C -0.800 175.283 176.000 0.140 0.000 1.090 621 Q CA -0.923 54.951 55.803 0.118 0.000 0.809 621 Q CB 2.189 31.039 28.738 0.185 0.000 1.362 621 Q HN 0.771 nan 8.270 nan 0.000 0.431 622 N N -0.203 118.559 118.700 0.105 0.000 2.518 622 N HA 0.255 4.995 4.740 0.001 0.000 0.266 622 N C -0.329 175.260 175.510 0.132 0.000 1.196 622 N CA -0.221 52.919 53.050 0.150 0.000 0.947 622 N CB 0.944 39.535 38.487 0.172 0.000 1.098 622 N HN 0.647 nan 8.380 nan 0.000 0.450 623 T N -1.886 112.746 114.554 0.130 0.000 2.807 623 T HA 0.294 4.644 4.350 0.001 0.000 0.277 623 T C 1.234 175.869 174.700 -0.107 0.000 1.006 623 T CA -0.966 61.144 62.100 0.017 0.000 1.006 623 T CB 0.606 69.494 68.868 0.034 0.000 1.274 623 T HN 0.636 nan 8.240 nan 0.000 0.569 624 I N -1.888 118.428 120.570 -0.423 0.000 2.928 624 I HA 0.159 4.329 4.170 0.001 0.000 0.266 624 I C 1.007 176.834 176.117 -0.484 0.000 1.234 624 I CA 0.626 61.387 61.300 -0.900 0.000 1.483 624 I CB -0.426 36.884 38.000 -1.151 0.000 1.097 624 I HN 0.602 nan 8.210 nan 0.000 0.455 625 Y N 1.640 121.979 120.300 0.065 0.000 2.467 625 Y HA 0.548 5.098 4.550 0.001 0.000 0.250 625 Y C 1.469 177.511 175.900 0.237 0.000 1.155 625 Y CA -0.033 58.180 58.100 0.187 0.000 1.249 625 Y CB 0.886 39.508 38.460 0.268 0.000 1.146 625 Y HN 0.388 nan 8.280 nan 0.000 0.524 626 G N 0.259 109.239 108.800 0.301 0.000 2.251 626 G HA2 0.096 4.056 3.960 0.001 0.000 0.058 626 G HA3 0.096 4.056 3.960 0.001 0.000 0.058 626 G C -1.022 174.037 174.900 0.264 0.000 0.922 626 G CA -0.726 44.553 45.100 0.299 0.000 1.133 626 G HN -0.047 nan 8.290 nan 0.000 0.410 627 M N -0.089 119.672 119.600 0.269 0.000 2.470 627 M HA 0.573 5.053 4.480 0.001 0.000 0.285 627 M C -1.731 174.821 176.300 0.420 0.000 1.213 627 M CA -0.648 54.827 55.300 0.293 0.000 0.901 627 M CB 3.072 35.797 32.600 0.207 0.000 1.718 627 M HN 0.576 nan 8.290 nan 0.000 0.469 628 Y N 2.786 123.230 120.300 0.240 0.000 2.364 628 Y HA 0.790 5.341 4.550 0.000 0.000 0.340 628 Y C -2.022 174.043 175.900 0.275 0.000 0.975 628 Y CA -1.120 57.145 58.100 0.274 0.000 1.089 628 Y CB 1.313 39.902 38.460 0.215 0.000 1.192 628 Y HN 0.698 nan 8.280 nan 0.000 0.454 629 L N 5.490 126.570 121.223 -0.239 0.000 2.410 629 L HA 0.600 4.941 4.340 0.001 0.000 0.270 629 L C -1.276 175.286 176.870 -0.512 0.000 0.983 629 L CA -0.407 54.297 54.840 -0.225 0.000 0.822 629 L CB 1.955 44.147 42.059 0.222 0.000 1.285 629 L HN 0.714 nan 8.230 nan 0.000 0.409 630 S N 3.089 118.511 115.700 -0.463 0.000 2.594 630 S HA 0.692 5.162 4.470 0.001 0.000 0.296 630 S C -1.143 173.423 174.600 -0.057 0.000 1.124 630 S CA -0.408 57.600 58.200 -0.320 0.000 1.011 630 S CB 1.695 64.665 63.200 -0.382 0.000 1.016 630 S HN 0.322 nan 8.310 nan 0.000 0.485 631 V N 5.865 125.786 119.914 0.011 0.000 2.448 631 V HA 0.606 4.726 4.120 0.001 0.000 0.295 631 V C -0.254 175.833 176.094 -0.012 0.000 1.025 631 V CA -0.645 61.682 62.300 0.045 0.000 0.859 631 V CB 1.521 33.391 31.823 0.079 0.000 0.988 631 V HN 0.804 nan 8.190 nan 0.000 0.431 632 K N 2.476 122.857 120.400 -0.033 0.000 2.443 632 K HA 0.881 5.201 4.320 0.001 0.000 0.251 632 K C 0.172 176.710 176.600 -0.105 0.000 0.972 632 K CA -0.231 56.008 56.287 -0.080 0.000 0.833 632 K CB 2.606 35.046 32.500 -0.100 0.000 1.317 632 K HN 1.043 nan 8.250 nan 0.000 0.441 633 G N 0.318 109.019 108.800 -0.164 0.000 2.384 633 G HA2 -0.181 3.779 3.960 0.001 0.000 0.204 633 G HA3 -0.181 3.779 3.960 0.001 0.000 0.204 633 G C -1.499 173.251 174.900 -0.250 0.000 1.237 633 G CA -0.965 43.970 45.100 -0.276 0.000 1.060 633 G HN 0.378 nan 8.290 nan 0.000 0.514 634 Y N 2.510 122.808 120.300 -0.003 0.000 2.526 634 Y HA 0.174 4.725 4.550 0.000 0.000 0.330 634 Y C 2.234 178.125 175.900 -0.016 0.000 1.156 634 Y CA 0.498 58.595 58.100 -0.005 0.000 1.419 634 Y CB 0.517 38.999 38.460 0.035 0.000 1.250 634 Y HN 0.643 nan 8.280 nan 0.000 0.540 635 N N 1.133 119.901 118.700 0.113 0.000 2.309 635 N HA -0.220 4.520 4.740 0.001 0.000 0.182 635 N C 1.221 176.764 175.510 0.055 0.000 1.018 635 N CA 1.286 54.373 53.050 0.062 0.000 0.876 635 N CB -0.197 38.314 38.487 0.040 0.000 0.972 635 N HN 0.788 nan 8.380 nan 0.000 0.434 636 D N 1.693 122.113 120.400 0.034 0.000 2.177 636 D HA -0.194 4.446 4.640 0.001 0.000 0.189 636 D C 1.069 177.380 176.300 0.019 0.000 1.002 636 D CA 1.799 55.781 54.000 -0.029 0.000 0.845 636 D CB -0.126 40.587 40.800 -0.146 0.000 0.960 636 D HN 0.329 nan 8.370 nan 0.000 0.447 637 K N -0.483 119.964 120.400 0.078 0.000 2.387 637 K HA 0.144 4.465 4.320 0.001 0.000 0.198 637 K C 2.010 178.710 176.600 0.168 0.000 1.022 637 K CA -0.210 56.161 56.287 0.140 0.000 1.128 637 K CB 0.400 33.050 32.500 0.249 0.000 0.853 637 K HN 0.256 nan 8.250 nan 0.000 0.523 638 Q N 0.686 120.554 119.800 0.112 0.000 2.061 638 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 638 Q C -0.979 175.075 176.000 0.090 0.000 0.984 638 Q CA 1.704 57.562 55.803 0.091 0.000 0.846 638 Q CB -0.707 28.073 28.738 0.070 0.000 0.902 638 Q HN 0.180 nan 8.270 nan 0.000 0.421 639 P HA -0.170 nan 4.420 nan 0.000 0.218 639 P C 0.914 178.257 177.300 0.072 0.000 1.148 639 P CA 1.201 64.340 63.100 0.065 0.000 0.822 639 P CB -0.039 31.691 31.700 0.049 0.000 0.784 640 I N -1.530 119.106 120.570 0.109 0.000 2.202 640 I HA -0.206 3.964 4.170 0.001 0.000 0.242 640 I C 2.215 178.456 176.117 0.207 0.000 1.091 640 I CA 1.058 62.444 61.300 0.144 0.000 1.368 640 I CB -0.628 37.464 38.000 0.154 0.000 1.058 640 I HN -0.053 nan 8.210 nan 0.000 0.410 641 L N 0.592 121.965 121.223 0.250 0.000 2.056 641 L HA -0.155 4.186 4.340 0.001 0.000 0.207 641 L C 2.234 179.106 176.870 0.003 0.000 1.078 641 L CA 1.611 56.566 54.840 0.191 0.000 0.749 641 L CB -0.534 41.538 42.059 0.022 0.000 0.901 641 L HN 0.168 nan 8.230 nan 0.000 0.433 642 L N -0.277 120.936 121.223 -0.017 0.000 2.042 642 L HA -0.278 4.062 4.340 0.001 0.000 0.210 642 L C 2.640 179.451 176.870 -0.098 0.000 1.076 642 L CA 2.211 57.003 54.840 -0.081 0.000 0.749 642 L CB -0.337 41.703 42.059 -0.031 0.000 0.893 642 L HN 0.448 nan 8.230 nan 0.000 0.432 643 K N 0.285 120.660 120.400 -0.041 0.000 2.057 643 K HA -0.276 4.045 4.320 0.001 0.000 0.207 643 K C 2.164 178.712 176.600 -0.085 0.000 1.049 643 K CA 1.644 57.901 56.287 -0.052 0.000 0.931 643 K CB -0.067 32.424 32.500 -0.016 0.000 0.714 643 K HN -0.031 nan 8.250 nan 0.000 0.440 644 K N 1.057 121.416 120.400 -0.068 0.000 2.063 644 K HA -0.091 4.230 4.320 0.001 0.000 0.208 644 K C 1.727 178.204 176.600 -0.205 0.000 1.048 644 K CA 1.722 57.924 56.287 -0.142 0.000 0.928 644 K CB -0.310 32.112 32.500 -0.131 0.000 0.713 644 K HN 0.294 nan 8.250 nan 0.000 0.442 645 I N 0.316 120.748 120.570 -0.229 0.000 2.202 645 I HA -0.252 3.918 4.170 0.001 0.000 0.242 645 I C 1.803 177.767 176.117 -0.255 0.000 1.091 645 I CA 0.694 61.813 61.300 -0.302 0.000 1.368 645 I CB -0.278 37.476 38.000 -0.409 0.000 1.058 645 I HN 0.094 nan 8.210 nan 0.000 0.410 646 I N 0.768 121.207 120.570 -0.219 0.000 2.179 646 I HA -0.247 3.923 4.170 0.001 0.000 0.242 646 I C 2.473 178.484 176.117 -0.178 0.000 1.088 646 I CA 1.629 62.812 61.300 -0.195 0.000 1.357 646 I CB -1.481 36.429 38.000 -0.150 0.000 1.051 646 I HN 0.329 nan 8.210 nan 0.000 0.409 647 E N 0.626 120.712 120.200 -0.188 0.000 2.058 647 E HA -0.229 4.122 4.350 0.001 0.000 0.194 647 E C 2.229 178.691 176.600 -0.230 0.000 0.997 647 E CA 1.073 57.315 56.400 -0.263 0.000 0.801 647 E CB -0.079 29.462 29.700 -0.265 0.000 0.746 647 E HN 0.336 nan 8.360 nan 0.000 0.450 648 K N 0.678 120.969 120.400 -0.181 0.000 2.097 648 K HA -0.146 4.174 4.320 0.001 0.000 0.206 648 K C 2.334 178.901 176.600 -0.055 0.000 1.049 648 K CA 1.322 57.548 56.287 -0.103 0.000 0.933 648 K CB -0.208 32.207 32.500 -0.143 0.000 0.717 648 K HN 0.273 nan 8.250 nan 0.000 0.442 649 M N -1.051 118.469 119.600 -0.134 0.000 2.159 649 M HA -0.057 4.423 4.480 0.001 0.000 0.263 649 M C 1.795 178.136 176.300 0.068 0.000 1.063 649 M CA 2.022 57.281 55.300 -0.069 0.000 1.110 649 M CB -0.162 32.324 32.600 -0.191 0.000 1.374 649 M HN -0.054 nan 8.290 nan 0.000 0.411 650 A N 0.156 122.964 122.820 -0.021 0.000 2.238 650 A HA 0.108 4.428 4.320 0.001 0.000 0.210 650 A C 1.659 179.246 177.584 0.006 0.000 1.179 650 A CA 0.950 52.980 52.037 -0.011 0.000 0.827 650 A CB -0.461 18.524 19.000 -0.025 0.000 0.856 650 A HN 0.713 nan 8.150 nan 0.000 0.488 651 T N -4.688 109.869 114.554 0.005 0.000 3.275 651 T HA 0.325 4.675 4.350 0.001 0.000 0.298 651 T C -0.144 174.605 174.700 0.081 0.000 0.988 651 T CA -0.484 61.619 62.100 0.004 0.000 0.936 651 T CB -0.655 68.145 68.868 -0.113 0.000 1.159 651 T HN 0.045 nan 8.240 nan 0.000 0.519 652 F N 3.982 123.921 119.950 -0.020 0.000 2.578 652 F HA 0.338 4.865 4.527 0.001 0.000 0.381 652 F C 0.210 176.016 175.800 0.010 0.000 1.069 652 F CA -0.921 57.092 58.000 0.021 0.000 1.231 652 F CB 0.383 39.465 39.000 0.136 0.000 1.086 652 F HN 0.235 nan 8.300 nan 0.000 0.564 653 E N 7.461 127.288 120.200 -0.623 0.000 2.185 653 E HA 0.312 4.663 4.350 0.001 0.000 0.261 653 E C -0.720 175.412 176.600 -0.780 0.000 0.879 653 E CA -0.676 55.407 56.400 -0.529 0.000 0.756 653 E CB 1.829 31.375 29.700 -0.256 0.000 1.152 653 E HN 0.472 nan 8.360 nan 0.000 0.416 654 I N 2.040 122.237 120.570 -0.622 0.000 2.496 654 I HA -0.001 4.169 4.170 0.001 0.000 0.285 654 I C 0.429 176.426 176.117 -0.201 0.000 1.080 654 I CA -0.099 60.938 61.300 -0.439 0.000 1.404 654 I CB 0.371 38.247 38.000 -0.207 0.000 1.403 654 I HN 0.497 nan 8.210 nan 0.000 0.539 655 D N 4.815 125.163 120.400 -0.087 0.000 2.312 655 D HA 0.004 4.644 4.640 0.001 0.000 0.252 655 D C 1.052 177.385 176.300 0.055 0.000 1.150 655 D CA -0.094 53.896 54.000 -0.017 0.000 0.870 655 D CB 0.987 41.795 40.800 0.014 0.000 1.153 655 D HN 0.601 nan 8.370 nan 0.000 0.457 656 E N 3.061 123.283 120.200 0.036 0.000 2.106 656 E HA -0.218 4.132 4.350 0.001 0.000 0.192 656 E C 1.324 178.030 176.600 0.176 0.000 0.984 656 E CA 0.717 57.175 56.400 0.097 0.000 0.806 656 E CB 0.273 29.991 29.700 0.030 0.000 0.750 656 E HN 0.333 nan 8.360 nan 0.000 0.458 657 K N 0.630 121.089 120.400 0.098 0.000 2.026 657 K HA -0.111 4.209 4.320 0.001 0.000 0.208 657 K C 2.185 178.835 176.600 0.083 0.000 1.048 657 K CA 0.889 57.222 56.287 0.078 0.000 0.929 657 K CB -0.181 32.338 32.500 0.031 0.000 0.713 657 K HN 0.086 nan 8.250 nan 0.000 0.439 658 R N 0.036 120.588 120.500 0.087 0.000 2.103 658 R HA -0.163 4.178 4.340 0.001 0.000 0.242 658 R C 2.278 178.649 176.300 0.118 0.000 1.142 658 R CA 1.228 57.383 56.100 0.092 0.000 0.960 658 R CB -0.946 29.418 30.300 0.107 0.000 0.858 658 R HN 0.272 nan 8.270 nan 0.000 0.439 659 F N 2.655 122.631 119.950 0.043 0.000 2.069 659 F HA -0.201 4.326 4.527 0.000 0.000 0.298 659 F C 2.121 177.948 175.800 0.046 0.000 1.113 659 F CA 1.648 59.678 58.000 0.049 0.000 1.214 659 F CB -0.099 38.923 39.000 0.036 0.000 0.978 659 F HN -0.068 nan 8.300 nan 0.000 0.474 660 E N 0.728 120.883 120.200 -0.075 0.000 2.106 660 E HA -0.162 4.188 4.350 0.001 0.000 0.192 660 E C 2.508 179.021 176.600 -0.145 0.000 0.984 660 E CA 1.446 57.733 56.400 -0.188 0.000 0.806 660 E CB -0.501 29.215 29.700 0.027 0.000 0.750 660 E HN 0.544 nan 8.360 nan 0.000 0.458 661 I N 0.842 121.376 120.570 -0.060 0.000 2.179 661 I HA -0.248 3.923 4.170 0.001 0.000 0.242 661 I C 2.411 178.500 176.117 -0.046 0.000 1.088 661 I CA 1.025 62.307 61.300 -0.030 0.000 1.357 661 I CB -0.193 37.812 38.000 0.008 0.000 1.051 661 I HN 0.014 nan 8.210 nan 0.000 0.409 662 I N 0.508 121.041 120.570 -0.062 0.000 2.439 662 I HA -0.264 3.906 4.170 0.001 0.000 0.251 662 I C 2.555 178.638 176.117 -0.057 0.000 1.139 662 I CA 1.144 62.417 61.300 -0.044 0.000 1.438 662 I CB -0.270 37.714 38.000 -0.026 0.000 1.085 662 I HN 0.171 nan 8.210 nan 0.000 0.427 663 K N 0.923 121.210 120.400 -0.189 0.000 2.057 663 K HA -0.219 4.101 4.320 0.001 0.000 0.206 663 K C 2.211 178.776 176.600 -0.059 0.000 1.050 663 K CA 1.253 57.439 56.287 -0.168 0.000 0.935 663 K CB -0.052 32.153 32.500 -0.491 0.000 0.715 663 K HN 0.124 nan 8.250 nan 0.000 0.439 664 E N 0.590 120.741 120.200 -0.081 0.000 2.110 664 E HA -0.180 4.170 4.350 0.001 0.000 0.193 664 E C 1.690 178.288 176.600 -0.002 0.000 0.988 664 E CA 1.301 57.677 56.400 -0.039 0.000 0.804 664 E CB -0.061 29.618 29.700 -0.035 0.000 0.745 664 E HN 0.429 nan 8.360 nan 0.000 0.458 665 A N 0.162 122.995 122.820 0.021 0.000 1.930 665 A HA -0.178 4.143 4.320 0.001 0.000 0.217 665 A C 2.068 179.713 177.584 0.102 0.000 1.175 665 A CA 1.272 53.337 52.037 0.046 0.000 0.627 665 A CB -0.796 18.228 19.000 0.040 0.000 0.815 665 A HN 0.443 nan 8.150 nan 0.000 0.443 666 Y N -0.401 119.875 120.300 -0.040 0.000 2.293 666 Y HA -0.110 4.440 4.550 0.001 0.000 0.291 666 Y C 2.140 178.027 175.900 -0.021 0.000 1.137 666 Y CA 1.744 59.827 58.100 -0.028 0.000 1.202 666 Y CB -0.363 38.074 38.460 -0.039 0.000 0.990 666 Y HN 0.339 nan 8.280 nan 0.000 0.537 667 M N 0.494 120.023 119.600 -0.118 0.000 2.086 667 M HA -0.139 4.342 4.480 0.001 0.000 0.261 667 M C 2.172 178.397 176.300 -0.125 0.000 1.067 667 M CA 1.797 56.982 55.300 -0.192 0.000 1.116 667 M CB -0.458 32.078 32.600 -0.107 0.000 1.348 667 M HN 0.093 nan 8.290 nan 0.000 0.407 668 R N -0.854 119.615 120.500 -0.052 0.000 2.091 668 R HA -0.144 4.197 4.340 0.001 0.000 0.238 668 R C 2.535 178.832 176.300 -0.005 0.000 1.136 668 R CA 1.723 57.811 56.100 -0.020 0.000 0.959 668 R CB -0.795 29.505 30.300 -0.000 0.000 0.856 668 R HN 0.581 nan 8.270 nan 0.000 0.437 669 S N 0.844 116.549 115.700 0.009 0.000 2.368 669 S HA -0.099 4.371 4.470 0.001 0.000 0.225 669 S C 1.999 176.609 174.600 0.016 0.000 1.030 669 S CA 0.949 59.176 58.200 0.046 0.000 0.999 669 S CB -0.141 63.131 63.200 0.120 0.000 0.844 669 S HN 0.224 nan 8.310 nan 0.000 0.459 670 L N 1.547 122.709 121.223 -0.102 0.000 1.989 670 L HA -0.144 4.196 4.340 0.001 0.000 0.211 670 L C 2.671 179.528 176.870 -0.022 0.000 1.071 670 L CA 1.521 56.285 54.840 -0.127 0.000 0.749 670 L CB -0.825 41.058 42.059 -0.293 0.000 0.890 670 L HN 0.334 nan 8.230 nan 0.000 0.431 671 N N 0.485 119.170 118.700 -0.024 0.000 2.104 671 N HA -0.199 4.541 4.740 0.001 0.000 0.190 671 N C 1.500 177.048 175.510 0.065 0.000 1.024 671 N CA 1.481 54.544 53.050 0.021 0.000 0.853 671 N CB -0.594 37.893 38.487 0.001 0.000 1.008 671 N HN 0.436 nan 8.380 nan 0.000 0.424 672 N N -0.295 118.445 118.700 0.066 0.000 2.519 672 N HA -0.105 4.635 4.740 0.001 0.000 0.186 672 N C 1.174 176.754 175.510 0.116 0.000 1.062 672 N CA 0.009 53.104 53.050 0.075 0.000 0.910 672 N CB -0.169 38.359 38.487 0.067 0.000 0.958 672 N HN 0.143 nan 8.380 nan 0.000 0.445 673 F N 2.813 122.751 119.950 -0.020 0.000 2.333 673 F HA -0.099 4.429 4.527 0.001 0.000 0.300 673 F C 2.249 178.112 175.800 0.105 0.000 1.083 673 F CA 0.946 58.930 58.000 -0.028 0.000 1.395 673 F CB -0.025 38.876 39.000 -0.165 0.000 1.056 673 F HN 0.031 nan 8.300 nan 0.000 0.529 674 R N 0.365 120.895 120.500 0.050 0.000 2.241 674 R HA -0.022 4.318 4.340 0.001 0.000 0.224 674 R C 1.655 177.989 176.300 0.057 0.000 1.101 674 R CA 1.275 57.423 56.100 0.080 0.000 0.995 674 R CB -0.911 29.442 30.300 0.088 0.000 0.870 674 R HN 0.263 nan 8.270 nan 0.000 0.463 675 A N 0.870 123.685 122.820 -0.009 0.000 2.308 675 A HA 0.140 4.460 4.320 0.001 0.000 0.217 675 A C -0.058 177.551 177.584 0.042 0.000 1.216 675 A CA -0.341 51.698 52.037 0.002 0.000 0.864 675 A CB 0.114 19.116 19.000 0.003 0.000 0.902 675 A HN 0.169 nan 8.150 nan 0.000 0.499 676 E N 1.134 121.207 120.200 -0.213 0.000 2.391 676 E HA 0.155 4.505 4.350 0.001 0.000 0.255 676 E C 0.074 176.301 176.600 -0.622 0.000 1.187 676 E CA -0.134 56.044 56.400 -0.371 0.000 0.941 676 E CB 0.242 29.588 29.700 -0.591 0.000 1.010 676 E HN 0.361 nan 8.360 nan 0.000 0.458 677 Q N 1.080 120.490 119.800 -0.650 0.000 2.421 677 Q HA 0.067 4.407 4.340 0.001 0.000 0.255 677 Q C -1.588 174.009 176.000 -0.672 0.000 1.013 677 Q CA -1.397 53.937 55.803 -0.781 0.000 0.895 677 Q CB -0.238 28.240 28.738 -0.433 0.000 1.271 677 Q HN 0.177 nan 8.270 nan 0.000 0.460 678 P HA -0.212 nan 4.420 nan 0.000 0.216 678 P C 1.141 178.422 177.300 -0.032 0.000 1.150 678 P CA 1.682 64.671 63.100 -0.183 0.000 0.843 678 P CB -0.067 31.616 31.700 -0.030 0.000 0.787 679 H N -0.573 118.464 119.070 -0.056 0.000 2.428 679 H HA -0.006 4.551 4.556 0.001 0.000 0.296 679 H C 1.586 176.946 175.328 0.053 0.000 1.062 679 H CA 1.163 57.230 56.048 0.032 0.000 1.350 679 H CB -0.886 28.896 29.762 0.032 0.000 1.403 679 H HN 0.203 nan 8.280 nan 0.000 0.533 680 Q N 0.345 119.776 119.800 -0.614 0.000 2.083 680 Q HA -0.073 4.267 4.340 0.001 0.000 0.198 680 Q C 2.233 178.267 176.000 0.057 0.000 0.969 680 Q CA 1.045 56.666 55.803 -0.302 0.000 0.838 680 Q CB -0.105 28.421 28.738 -0.354 0.000 0.900 680 Q HN 0.735 nan 8.270 nan 0.000 0.436 681 H N -0.163 118.798 119.070 -0.181 0.000 2.319 681 H HA -0.181 4.375 4.556 0.001 0.000 0.297 681 H C 2.139 177.483 175.328 0.027 0.000 1.097 681 H CA 0.676 56.651 56.048 -0.122 0.000 1.285 681 H CB 0.045 29.761 29.762 -0.078 0.000 1.368 681 H HN 0.341 nan 8.280 nan 0.000 0.495 682 A N 1.180 124.176 122.820 0.294 0.000 1.883 682 A HA -0.228 4.092 4.320 0.001 0.000 0.217 682 A C 2.453 180.199 177.584 0.270 0.000 1.186 682 A CA 1.864 54.109 52.037 0.346 0.000 0.624 682 A CB -0.694 18.488 19.000 0.303 0.000 0.822 682 A HN 0.306 nan 8.150 nan 0.000 0.444 683 M N -2.318 117.399 119.600 0.195 0.000 2.159 683 M HA -0.123 4.358 4.480 0.001 0.000 0.263 683 M C 2.240 178.619 176.300 0.132 0.000 1.063 683 M CA 1.971 57.356 55.300 0.142 0.000 1.110 683 M CB -0.467 32.194 32.600 0.102 0.000 1.374 683 M HN 0.650 nan 8.290 nan 0.000 0.411 684 Y N 0.092 120.393 120.300 0.001 0.000 2.184 684 Y HA -0.240 4.311 4.550 0.001 0.000 0.290 684 Y C 1.903 177.765 175.900 -0.062 0.000 1.129 684 Y CA 1.480 59.534 58.100 -0.076 0.000 1.144 684 Y CB -0.451 37.955 38.460 -0.089 0.000 0.995 684 Y HN 0.080 nan 8.280 nan 0.000 0.513 685 Y N -0.307 120.012 120.300 0.033 0.000 2.224 685 Y HA -0.199 4.351 4.550 0.000 0.000 0.289 685 Y C 2.349 178.138 175.900 -0.186 0.000 1.146 685 Y CA 1.254 59.271 58.100 -0.138 0.000 1.182 685 Y CB -1.145 37.418 38.460 0.172 0.000 0.983 685 Y HN 0.267 nan 8.280 nan 0.000 0.524 686 L N 0.364 121.645 121.223 0.096 0.000 2.042 686 L HA -0.192 4.148 4.340 0.001 0.000 0.210 686 L C 2.603 179.429 176.870 -0.073 0.000 1.076 686 L CA 1.732 56.583 54.840 0.019 0.000 0.749 686 L CB -0.578 41.517 42.059 0.059 0.000 0.893 686 L HN 0.085 nan 8.230 nan 0.000 0.432 687 R N -0.708 119.726 120.500 -0.110 0.000 2.081 687 R HA -0.150 4.190 4.340 0.001 0.000 0.235 687 R C 2.273 178.459 176.300 -0.189 0.000 1.131 687 R CA 1.829 57.844 56.100 -0.141 0.000 0.960 687 R CB -0.350 29.871 30.300 -0.132 0.000 0.856 687 R HN 0.436 nan 8.270 nan 0.000 0.436 688 L N 0.512 121.563 121.223 -0.286 0.000 2.046 688 L HA -0.200 4.140 4.340 0.001 0.000 0.208 688 L C 2.465 179.209 176.870 -0.211 0.000 1.077 688 L CA 1.136 55.797 54.840 -0.299 0.000 0.747 688 L CB -0.390 41.435 42.059 -0.391 0.000 0.896 688 L HN 0.257 nan 8.230 nan 0.000 0.432 689 L N -1.198 119.908 121.223 -0.196 0.000 2.093 689 L HA -0.177 4.163 4.340 0.001 0.000 0.208 689 L C 2.423 179.337 176.870 0.073 0.000 1.085 689 L CA 0.898 55.660 54.840 -0.130 0.000 0.755 689 L CB -0.214 41.676 42.059 -0.282 0.000 0.904 689 L HN 0.321 nan 8.230 nan 0.000 0.435 690 M N -1.470 118.147 119.600 0.029 0.000 2.509 690 M HA 0.097 4.577 4.480 0.001 0.000 0.250 690 M C 0.447 176.771 176.300 0.039 0.000 1.132 690 M CA 0.584 55.938 55.300 0.089 0.000 1.080 690 M CB -0.412 32.234 32.600 0.077 0.000 1.408 690 M HN 0.015 nan 8.290 nan 0.000 0.484 691 T N 0.272 114.803 114.554 -0.038 0.000 2.795 691 T HA 0.162 4.513 4.350 0.001 0.000 0.282 691 T C 1.136 175.755 174.700 -0.135 0.000 0.980 691 T CA -0.468 61.589 62.100 -0.071 0.000 1.012 691 T CB 2.461 71.252 68.868 -0.127 0.000 0.936 691 T HN 0.284 nan 8.240 nan 0.000 0.457 692 E N 2.499 122.640 120.200 -0.098 0.000 2.065 692 E HA -0.151 4.200 4.350 0.001 0.000 0.201 692 E C -0.022 176.381 176.600 -0.329 0.000 1.016 692 E CA 1.257 57.575 56.400 -0.136 0.000 0.818 692 E CB 0.203 29.909 29.700 0.011 0.000 0.749 692 E HN 0.433 nan 8.360 nan 0.000 0.453 693 V N 0.004 119.528 119.914 -0.649 0.000 2.540 693 V HA 0.702 4.822 4.120 0.001 0.000 0.302 693 V C -0.563 175.067 176.094 -0.772 0.000 1.035 693 V CA -0.238 61.546 62.300 -0.860 0.000 0.873 693 V CB 1.442 32.601 31.823 -1.106 0.000 0.992 693 V HN 0.329 nan 8.190 nan 0.000 0.428 694 A N 4.028 126.382 122.820 -0.778 0.000 2.511 694 A HA 0.623 4.943 4.320 0.001 0.000 0.292 694 A C -1.510 175.739 177.584 -0.559 0.000 1.045 694 A CA -0.675 51.058 52.037 -0.505 0.000 0.870 694 A CB 0.562 19.381 19.000 -0.302 0.000 1.361 694 A HN 0.765 nan 8.150 nan 0.000 0.396 695 W N 2.034 123.305 121.300 -0.048 0.000 2.316 695 W HA 0.519 5.180 4.660 0.001 0.000 0.321 695 W C 1.118 177.637 176.519 0.001 0.000 1.203 695 W CA 0.154 57.446 57.345 -0.087 0.000 1.214 695 W CB 1.501 30.854 29.460 -0.179 0.000 1.169 695 W HN 0.783 nan 8.180 nan 0.000 0.561 696 T N -0.607 114.105 114.554 0.264 0.000 2.902 696 T HA 0.224 4.574 4.350 0.001 0.000 0.280 696 T C 1.185 176.013 174.700 0.214 0.000 0.992 696 T CA -0.902 61.331 62.100 0.221 0.000 1.015 696 T CB 1.401 70.385 68.868 0.193 0.000 1.044 696 T HN 0.346 nan 8.240 nan 0.000 0.520 697 K N 1.137 121.659 120.400 0.203 0.000 2.074 697 K HA -0.149 4.172 4.320 0.001 0.000 0.209 697 K C 1.600 178.231 176.600 0.052 0.000 1.048 697 K CA 1.639 57.958 56.287 0.054 0.000 0.926 697 K CB -0.644 31.822 32.500 -0.057 0.000 0.713 697 K HN 0.659 nan 8.250 nan 0.000 0.444 698 D N 0.971 121.431 120.400 0.100 0.000 2.117 698 D HA -0.111 4.530 4.640 0.001 0.000 0.198 698 D C 1.930 178.260 176.300 0.049 0.000 0.982 698 D CA 0.923 54.966 54.000 0.072 0.000 0.828 698 D CB -0.043 40.815 40.800 0.098 0.000 0.967 698 D HN 0.399 nan 8.370 nan 0.000 0.464 699 E N 0.383 120.629 120.200 0.076 0.000 2.047 699 E HA -0.087 4.263 4.350 0.001 0.000 0.191 699 E C 2.414 179.004 176.600 -0.017 0.000 0.987 699 E CA 0.407 56.832 56.400 0.042 0.000 0.799 699 E CB -0.076 29.692 29.700 0.113 0.000 0.752 699 E HN 0.220 nan 8.360 nan 0.000 0.449 700 L N 1.532 122.762 121.223 0.013 0.000 2.042 700 L HA -0.252 4.088 4.340 0.001 0.000 0.210 700 L C 2.687 179.513 176.870 -0.074 0.000 1.076 700 L CA 1.620 56.447 54.840 -0.022 0.000 0.749 700 L CB -0.730 41.348 42.059 0.032 0.000 0.893 700 L HN 0.175 nan 8.230 nan 0.000 0.432 701 K N 0.541 120.893 120.400 -0.080 0.000 2.103 701 K HA -0.218 4.102 4.320 0.001 0.000 0.204 701 K C 1.898 178.458 176.600 -0.067 0.000 1.052 701 K CA 1.567 57.789 56.287 -0.109 0.000 0.945 701 K CB -0.237 32.193 32.500 -0.116 0.000 0.722 701 K HN 0.235 nan 8.250 nan 0.000 0.443 702 E N 1.556 121.731 120.200 -0.041 0.000 2.038 702 E HA -0.182 4.168 4.350 0.001 0.000 0.195 702 E C 1.870 178.445 176.600 -0.040 0.000 1.000 702 E CA 1.798 58.179 56.400 -0.031 0.000 0.803 702 E CB -0.292 29.396 29.700 -0.020 0.000 0.750 702 E HN 0.448 nan 8.360 nan 0.000 0.448 703 A N 0.059 122.845 122.820 -0.057 0.000 2.216 703 A HA -0.027 4.293 4.320 0.001 0.000 0.214 703 A C 1.963 179.524 177.584 -0.038 0.000 1.160 703 A CA 0.873 52.873 52.037 -0.062 0.000 0.725 703 A CB -0.445 18.490 19.000 -0.108 0.000 0.784 703 A HN 0.403 nan 8.150 nan 0.000 0.472 704 L N -0.710 120.493 121.223 -0.034 0.000 2.209 704 L HA 0.029 4.369 4.340 0.001 0.000 0.207 704 L C 1.351 178.223 176.870 0.004 0.000 1.094 704 L CA 1.735 56.569 54.840 -0.009 0.000 0.790 704 L CB -0.410 41.623 42.059 -0.043 0.000 0.932 704 L HN 0.226 nan 8.230 nan 0.000 0.447 705 D N 0.380 120.775 120.400 -0.007 0.000 2.158 705 D HA -0.201 4.439 4.640 0.001 0.000 0.197 705 D C 1.275 177.592 176.300 0.028 0.000 0.995 705 D CA 1.552 55.556 54.000 0.007 0.000 0.846 705 D CB -0.113 40.687 40.800 -0.001 0.000 0.941 705 D HN 0.449 nan 8.370 nan 0.000 0.456 706 D N -0.089 120.323 120.400 0.020 0.000 2.349 706 D HA -0.008 4.632 4.640 0.001 0.000 0.224 706 D C 0.167 176.492 176.300 0.042 0.000 1.029 706 D CA 0.047 54.063 54.000 0.026 0.000 0.879 706 D CB 0.430 41.234 40.800 0.006 0.000 0.906 706 D HN 0.042 nan 8.370 nan 0.000 0.528 707 V N 2.339 122.295 119.914 0.070 0.000 2.415 707 V HA 0.131 4.251 4.120 0.001 0.000 0.267 707 V C 0.882 177.135 176.094 0.265 0.000 1.042 707 V CA -0.026 62.350 62.300 0.126 0.000 1.000 707 V CB 0.408 32.319 31.823 0.146 0.000 1.015 707 V HN 0.149 nan 8.190 nan 0.000 0.478 708 T N 2.214 116.853 114.554 0.143 0.000 2.950 708 T HA 0.520 4.870 4.350 0.001 0.000 0.288 708 T C 0.780 175.323 174.700 -0.261 0.000 1.035 708 T CA -0.747 61.395 62.100 0.070 0.000 1.028 708 T CB 1.841 70.710 68.868 0.001 0.000 1.109 708 T HN 0.212 nan 8.240 nan 0.000 0.514 709 L N 1.855 122.695 121.223 -0.638 0.000 1.971 709 L HA 0.090 4.431 4.340 0.001 0.000 0.215 709 L C -0.878 175.767 176.870 -0.376 0.000 1.072 709 L CA 2.130 56.475 54.840 -0.826 0.000 0.758 709 L CB -1.648 39.999 42.059 -0.687 0.000 0.889 709 L HN 0.552 nan 8.230 nan 0.000 0.433 710 P HA -0.217 nan 4.420 nan 0.000 0.215 710 P C 1.634 178.873 177.300 -0.102 0.000 1.157 710 P CA 1.698 64.718 63.100 -0.133 0.000 0.874 710 P CB -0.151 31.497 31.700 -0.087 0.000 0.790 711 R N -0.611 119.836 120.500 -0.089 0.000 2.096 711 R HA -0.076 4.265 4.340 0.001 0.000 0.235 711 R C 2.321 178.598 176.300 -0.038 0.000 1.127 711 R CA 0.988 57.058 56.100 -0.051 0.000 0.968 711 R CB -0.935 29.342 30.300 -0.038 0.000 0.861 711 R HN 0.147 nan 8.270 nan 0.000 0.440 712 L N 0.505 121.684 121.223 -0.074 0.000 2.072 712 L HA -0.144 4.196 4.340 0.001 0.000 0.205 712 L C 1.745 178.631 176.870 0.027 0.000 1.079 712 L CA 1.563 56.399 54.840 -0.006 0.000 0.752 712 L CB -0.204 41.846 42.059 -0.015 0.000 0.906 712 L HN 0.242 nan 8.230 nan 0.000 0.436 713 K N -0.036 120.325 120.400 -0.066 0.000 2.063 713 K HA -0.169 4.152 4.320 0.001 0.000 0.208 713 K C 2.064 178.634 176.600 -0.050 0.000 1.048 713 K CA 1.453 57.697 56.287 -0.072 0.000 0.928 713 K CB -0.255 32.182 32.500 -0.106 0.000 0.713 713 K HN 0.359 nan 8.250 nan 0.000 0.442 714 A N 1.320 124.121 122.820 -0.031 0.000 1.933 714 A HA -0.171 4.150 4.320 0.001 0.000 0.218 714 A C 2.001 179.581 177.584 -0.007 0.000 1.175 714 A CA 1.133 53.156 52.037 -0.023 0.000 0.628 714 A CB -0.685 18.308 19.000 -0.010 0.000 0.814 714 A HN 0.387 nan 8.150 nan 0.000 0.444 715 F N 0.798 120.668 119.950 -0.134 0.000 2.134 715 F HA -0.167 4.360 4.527 0.001 0.000 0.299 715 F C 1.841 177.535 175.800 -0.176 0.000 1.097 715 F CA 1.715 59.626 58.000 -0.147 0.000 1.264 715 F CB -0.237 38.662 39.000 -0.169 0.000 1.001 715 F HN 0.194 nan 8.300 nan 0.000 0.479 716 I N 1.215 121.583 120.570 -0.335 0.000 2.142 716 I HA -0.217 3.953 4.170 0.001 0.000 0.240 716 I C -0.486 175.365 176.117 -0.444 0.000 1.078 716 I CA 1.278 62.220 61.300 -0.597 0.000 1.343 716 I CB -1.984 35.697 38.000 -0.532 0.000 1.046 716 I HN 0.104 nan 8.210 nan 0.000 0.405 717 P HA -0.229 nan 4.420 nan 0.000 0.216 717 P C 1.475 178.642 177.300 -0.221 0.000 1.150 717 P CA 1.584 64.578 63.100 -0.177 0.000 0.837 717 P CB -0.061 31.578 31.700 -0.101 0.000 0.786 718 Q N -0.296 119.319 119.800 -0.308 0.000 2.079 718 Q HA -0.118 4.223 4.340 0.001 0.000 0.200 718 Q C 2.158 177.899 176.000 -0.431 0.000 0.974 718 Q CA 1.138 56.705 55.803 -0.393 0.000 0.840 718 Q CB -1.253 27.215 28.738 -0.450 0.000 0.898 718 Q HN 0.049 nan 8.270 nan 0.000 0.430 719 L N 0.110 120.998 121.223 -0.559 0.000 2.012 719 L HA -0.152 4.189 4.340 0.001 0.000 0.210 719 L C 1.959 178.751 176.870 -0.131 0.000 1.073 719 L CA 1.865 56.474 54.840 -0.384 0.000 0.748 719 L CB -0.628 41.024 42.059 -0.677 0.000 0.891 719 L HN 0.458 nan 8.230 nan 0.000 0.431 720 L N -0.482 120.645 121.223 -0.160 0.000 2.418 720 L HA -0.065 4.275 4.340 0.001 0.000 0.218 720 L C 2.683 179.553 176.870 -0.000 0.000 1.125 720 L CA 0.765 55.574 54.840 -0.053 0.000 0.835 720 L CB -0.387 41.627 42.059 -0.075 0.000 0.953 720 L HN 0.349 nan 8.230 nan 0.000 0.454 721 S N 0.019 115.702 115.700 -0.029 0.000 2.382 721 S HA -0.138 4.332 4.470 0.001 0.000 0.228 721 S C 1.167 175.807 174.600 0.068 0.000 1.027 721 S CA 0.609 58.817 58.200 0.014 0.000 0.991 721 S CB -0.023 63.158 63.200 -0.032 0.000 0.823 721 S HN 0.381 nan 8.310 nan 0.000 0.469 722 R N 0.096 120.656 120.500 0.099 0.000 2.514 722 R HA 0.715 5.055 4.340 0.001 0.000 0.296 722 R C -1.706 174.731 176.300 0.228 0.000 1.012 722 R CA -0.376 55.821 56.100 0.162 0.000 0.897 722 R CB 1.559 31.962 30.300 0.172 0.000 1.184 722 R HN 0.291 nan 8.270 nan 0.000 0.440 723 L N 1.647 123.021 121.223 0.251 0.000 2.424 723 L HA 0.516 4.856 4.340 0.001 0.000 0.258 723 L C -0.923 176.178 176.870 0.385 0.000 0.995 723 L CA -1.140 53.902 54.840 0.337 0.000 0.821 723 L CB 2.343 44.611 42.059 0.347 0.000 1.383 723 L HN 0.580 nan 8.230 nan 0.000 0.410 724 H N 1.504 120.793 119.070 0.364 0.000 2.569 724 H HA 0.724 5.280 4.556 0.000 0.000 0.357 724 H C -1.406 174.199 175.328 0.462 0.000 1.153 724 H CA -0.434 55.825 56.048 0.353 0.000 1.193 724 H CB 1.677 31.600 29.762 0.268 0.000 1.602 724 H HN 0.420 nan 8.280 nan 0.000 0.523 725 I N 3.674 124.111 120.570 -0.222 0.000 2.447 725 I HA 0.227 4.398 4.170 0.001 0.000 0.287 725 I C -0.554 175.429 176.117 -0.224 0.000 1.023 725 I CA -0.553 60.642 61.300 -0.174 0.000 1.083 725 I CB 1.830 39.746 38.000 -0.141 0.000 1.245 725 I HN 0.572 nan 8.210 nan 0.000 0.434 726 E N 5.105 125.371 120.200 0.110 0.000 2.151 726 E HA 0.760 5.110 4.350 0.001 0.000 0.275 726 E C -1.172 175.632 176.600 0.340 0.000 0.936 726 E CA -0.597 55.981 56.400 0.296 0.000 0.777 726 E CB 1.772 31.804 29.700 0.553 0.000 1.108 726 E HN 0.727 nan 8.360 nan 0.000 0.401 727 A N 4.784 127.799 122.820 0.325 0.000 2.386 727 A HA 0.583 4.903 4.320 0.001 0.000 0.311 727 A C -1.558 176.221 177.584 0.325 0.000 1.068 727 A CA -0.745 51.354 52.037 0.102 0.000 0.743 727 A CB 1.221 20.112 19.000 -0.182 0.000 1.258 727 A HN 0.641 nan 8.150 nan 0.000 0.429 728 L N 3.159 124.472 121.223 0.150 0.000 2.349 728 L HA 0.616 4.957 4.340 0.001 0.000 0.278 728 L C -1.659 175.211 176.870 0.001 0.000 0.996 728 L CA -0.653 54.324 54.840 0.228 0.000 0.825 728 L CB 1.197 43.465 42.059 0.348 0.000 1.243 728 L HN 0.711 nan 8.230 nan 0.000 0.412 729 L N 5.068 126.372 121.223 0.135 0.000 2.342 729 L HA 0.430 4.770 4.340 0.001 0.000 0.276 729 L C -1.243 175.791 176.870 0.274 0.000 0.997 729 L CA -0.699 54.230 54.840 0.149 0.000 0.838 729 L CB 1.486 43.651 42.059 0.178 0.000 1.224 729 L HN 0.548 nan 8.230 nan 0.000 0.416 730 H N 2.565 121.671 119.070 0.061 0.000 2.924 730 H HA 0.790 5.346 4.556 0.001 0.000 0.333 730 H C -0.392 174.947 175.328 0.019 0.000 0.979 730 H CA -0.025 56.034 56.048 0.019 0.000 1.326 730 H CB 1.780 31.574 29.762 0.053 0.000 1.600 730 H HN 0.744 nan 8.280 nan 0.000 0.520 731 G N 3.281 112.047 108.800 -0.057 0.000 2.398 731 G HA2 -0.062 3.898 3.960 0.001 0.000 0.251 731 G HA3 -0.062 3.898 3.960 0.001 0.000 0.251 731 G C -1.072 173.821 174.900 -0.013 0.000 1.277 731 G CA -0.711 44.302 45.100 -0.146 0.000 0.927 731 G HN 0.641 nan 8.290 nan 0.000 0.477 732 N N 1.039 119.741 118.700 0.003 0.000 2.819 732 N HA 0.457 5.197 4.740 0.001 0.000 0.284 732 N C -0.278 175.287 175.510 0.093 0.000 1.196 732 N CA 0.031 53.113 53.050 0.053 0.000 1.114 732 N CB -0.452 38.061 38.487 0.043 0.000 1.437 732 N HN 0.701 nan 8.380 nan 0.000 0.518 733 I N 0.659 121.324 120.570 0.157 0.000 2.828 733 I HA 0.276 4.447 4.170 0.001 0.000 0.295 733 I C -0.819 175.497 176.117 0.333 0.000 1.459 733 I CA -0.509 60.915 61.300 0.206 0.000 1.015 733 I CB 2.000 40.127 38.000 0.212 0.000 1.345 733 I HN 0.338 nan 8.210 nan 0.000 0.449 734 T N 1.960 116.620 114.554 0.177 0.000 2.944 734 T HA 0.354 4.704 4.350 0.001 0.000 0.284 734 T C 0.910 175.419 174.700 -0.318 0.000 1.010 734 T CA -0.598 61.580 62.100 0.131 0.000 1.025 734 T CB 2.124 71.018 68.868 0.044 0.000 1.079 734 T HN 0.786 nan 8.240 nan 0.000 0.516 735 K N -0.084 120.046 120.400 -0.451 0.000 2.044 735 K HA -0.235 4.085 4.320 0.001 0.000 0.210 735 K C 2.249 178.545 176.600 -0.506 0.000 1.049 735 K CA 1.748 57.513 56.287 -0.871 0.000 0.927 735 K CB -0.226 32.094 32.500 -0.299 0.000 0.713 735 K HN 0.625 nan 8.250 nan 0.000 0.443 736 Q N 0.049 119.699 119.800 -0.249 0.000 2.167 736 Q HA -0.024 4.316 4.340 0.001 0.000 0.202 736 Q C 1.648 177.560 176.000 -0.145 0.000 0.970 736 Q CA 1.714 57.422 55.803 -0.157 0.000 0.855 736 Q CB -0.163 28.525 28.738 -0.084 0.000 0.911 736 Q HN 0.428 nan 8.270 nan 0.000 0.438 737 A N -0.132 122.601 122.820 -0.145 0.000 1.929 737 A HA 0.046 4.366 4.320 0.001 0.000 0.216 737 A C 2.230 179.749 177.584 -0.108 0.000 1.176 737 A CA 1.453 53.437 52.037 -0.088 0.000 0.628 737 A CB -0.978 18.000 19.000 -0.036 0.000 0.816 737 A HN 0.443 nan 8.150 nan 0.000 0.444 738 A N 0.148 122.823 122.820 -0.241 0.000 1.883 738 A HA -0.125 4.195 4.320 0.001 0.000 0.217 738 A C 2.154 179.665 177.584 -0.121 0.000 1.186 738 A CA 1.647 53.558 52.037 -0.210 0.000 0.624 738 A CB -0.750 17.940 19.000 -0.516 0.000 0.822 738 A HN 0.475 nan 8.150 nan 0.000 0.444 739 L N -0.673 120.445 121.223 -0.175 0.000 2.042 739 L HA -0.166 4.174 4.340 0.001 0.000 0.210 739 L C 2.813 179.656 176.870 -0.044 0.000 1.076 739 L CA 1.203 55.985 54.840 -0.097 0.000 0.749 739 L CB -0.788 41.203 42.059 -0.113 0.000 0.893 739 L HN 0.505 nan 8.230 nan 0.000 0.432 740 G N -0.102 108.670 108.800 -0.047 0.000 2.408 740 G HA2 -0.178 3.783 3.960 0.001 0.000 0.217 740 G HA3 -0.178 3.783 3.960 0.001 0.000 0.217 740 G C 1.605 176.513 174.900 0.014 0.000 1.150 740 G CA 0.518 45.608 45.100 -0.015 0.000 0.776 740 G HN 0.273 nan 8.290 nan 0.000 0.542 741 I N -0.154 120.435 120.570 0.032 0.000 2.202 741 I HA -0.157 4.013 4.170 0.001 0.000 0.242 741 I C 2.720 178.908 176.117 0.119 0.000 1.091 741 I CA 1.254 62.606 61.300 0.086 0.000 1.368 741 I CB -0.160 37.921 38.000 0.136 0.000 1.058 741 I HN 0.189 nan 8.210 nan 0.000 0.410 742 M N 0.582 120.258 119.600 0.127 0.000 2.080 742 M HA -0.267 4.213 4.480 0.001 0.000 0.260 742 M C 2.246 178.595 176.300 0.083 0.000 1.068 742 M CA 1.927 57.316 55.300 0.147 0.000 1.109 742 M CB -0.444 32.222 32.600 0.110 0.000 1.342 742 M HN 0.033 nan 8.290 nan 0.000 0.405 743 Q N -0.360 119.468 119.800 0.046 0.000 2.096 743 Q HA -0.214 4.126 4.340 0.001 0.000 0.204 743 Q C 2.105 178.123 176.000 0.030 0.000 0.982 743 Q CA 2.363 58.184 55.803 0.031 0.000 0.850 743 Q CB -0.562 28.184 28.738 0.013 0.000 0.901 743 Q HN 0.616 nan 8.270 nan 0.000 0.422 744 M N -0.733 118.884 119.600 0.028 0.000 2.159 744 M HA -0.139 4.341 4.480 0.001 0.000 0.263 744 M C 1.697 178.005 176.300 0.014 0.000 1.063 744 M CA 1.376 56.688 55.300 0.019 0.000 1.110 744 M CB -0.265 32.344 32.600 0.016 0.000 1.374 744 M HN 0.188 nan 8.290 nan 0.000 0.411 745 V N 1.124 121.044 119.914 0.011 0.000 2.307 745 V HA -0.265 3.856 4.120 0.001 0.000 0.245 745 V C 2.181 178.300 176.094 0.042 0.000 1.045 745 V CA 2.040 64.332 62.300 -0.013 0.000 1.024 745 V CB -0.846 30.925 31.823 -0.086 0.000 0.651 745 V HN 0.499 nan 8.190 nan 0.000 0.449 746 E N 0.164 120.400 120.200 0.061 0.000 2.033 746 E HA -0.279 4.072 4.350 0.001 0.000 0.199 746 E C 1.991 178.619 176.600 0.046 0.000 1.011 746 E CA 1.729 58.170 56.400 0.068 0.000 0.815 746 E CB -0.323 29.414 29.700 0.062 0.000 0.755 746 E HN 0.588 nan 8.360 nan 0.000 0.451 747 D N -0.048 120.371 120.400 0.031 0.000 2.182 747 D HA -0.110 4.530 4.640 0.001 0.000 0.201 747 D C 1.962 178.273 176.300 0.018 0.000 0.986 747 D CA 1.309 55.319 54.000 0.016 0.000 0.847 747 D CB -0.431 40.375 40.800 0.010 0.000 0.942 747 D HN 0.159 nan 8.370 nan 0.000 0.467 748 T N 0.749 115.328 114.554 0.042 0.000 2.857 748 T HA -0.003 4.347 4.350 0.001 0.000 0.266 748 T C 2.261 177.020 174.700 0.098 0.000 1.048 748 T CA 0.379 62.538 62.100 0.098 0.000 1.139 748 T CB -0.101 68.802 68.868 0.058 0.000 0.874 748 T HN 0.096 nan 8.240 nan 0.000 0.455 749 L N 0.337 121.589 121.223 0.048 0.000 1.988 749 L HA 0.013 4.353 4.340 0.001 0.000 0.207 749 L C 2.470 179.335 176.870 -0.008 0.000 1.071 749 L CA 1.168 56.026 54.840 0.031 0.000 0.744 749 L CB -0.552 41.544 42.059 0.062 0.000 0.893 749 L HN 0.198 nan 8.230 nan 0.000 0.433 750 I N -0.066 120.504 120.570 0.000 0.000 2.113 750 I HA -0.435 3.736 4.170 0.001 0.000 0.242 750 I C 2.648 178.688 176.117 -0.129 0.000 1.057 750 I CA 1.998 63.282 61.300 -0.026 0.000 1.314 750 I CB -0.378 37.625 38.000 0.006 0.000 1.022 750 I HN 0.413 nan 8.210 nan 0.000 0.408 751 E N 0.246 120.353 120.200 -0.155 0.000 2.017 751 E HA -0.250 4.101 4.350 0.001 0.000 0.193 751 E C 2.142 178.431 176.600 -0.518 0.000 0.997 751 E CA 1.527 57.736 56.400 -0.318 0.000 0.804 751 E CB -0.037 29.439 29.700 -0.373 0.000 0.757 751 E HN 0.586 nan 8.360 nan 0.000 0.448 752 H N -1.751 117.175 119.070 -0.239 0.000 2.547 752 H HA 0.232 4.788 4.556 0.001 0.000 0.272 752 H C 0.993 176.128 175.328 -0.322 0.000 0.971 752 H CA 0.942 56.846 56.048 -0.241 0.000 1.245 752 H CB 0.902 30.591 29.762 -0.123 0.000 1.440 752 H HN 0.262 nan 8.280 nan 0.000 0.540 753 A N -0.080 122.604 122.820 -0.227 0.000 2.508 753 A HA 0.103 4.423 4.320 0.001 0.000 0.250 753 A C -0.087 177.435 177.584 -0.103 0.000 1.208 753 A CA -0.293 51.660 52.037 -0.140 0.000 0.960 753 A CB 0.092 19.069 19.000 -0.037 0.000 1.099 753 A HN 0.451 nan 8.150 nan 0.000 0.542 754 H N 0.248 119.322 119.070 0.008 0.000 2.820 754 H HA -0.134 4.422 4.556 0.001 0.000 0.295 754 H C -0.233 175.105 175.328 0.017 0.000 1.187 754 H CA 1.080 57.130 56.048 0.002 0.000 1.144 754 H CB -2.664 27.092 29.762 -0.009 0.000 1.354 754 H HN 0.406 nan 8.280 nan 0.000 0.395 755 T N 1.521 116.115 114.554 0.067 0.000 2.928 755 T HA 0.304 4.654 4.350 0.001 0.000 0.305 755 T C 0.995 175.752 174.700 0.095 0.000 1.035 755 T CA 0.332 62.482 62.100 0.083 0.000 1.145 755 T CB 1.375 70.293 68.868 0.084 0.000 0.963 755 T HN 0.227 nan 8.240 nan 0.000 0.545 756 K N 3.168 123.630 120.400 0.103 0.000 2.400 756 K HA 0.542 4.862 4.320 0.001 0.000 0.246 756 K C -2.625 174.049 176.600 0.123 0.000 0.995 756 K CA -2.256 54.091 56.287 0.100 0.000 0.840 756 K CB 1.466 34.017 32.500 0.084 0.000 1.293 756 K HN 0.242 nan 8.250 nan 0.000 0.445 757 P HA 0.073 nan 4.420 nan 0.000 0.274 757 P C -0.824 176.557 177.300 0.136 0.000 1.237 757 P CA -0.610 62.578 63.100 0.146 0.000 0.793 757 P CB 0.431 32.209 31.700 0.129 0.000 0.977 758 L N 1.940 123.258 121.223 0.158 0.000 2.464 758 L HA 0.142 4.482 4.340 0.001 0.000 0.264 758 L C 0.333 177.234 176.870 0.050 0.000 1.199 758 L CA -0.269 54.642 54.840 0.118 0.000 0.818 758 L CB -0.600 41.542 42.059 0.139 0.000 1.102 758 L HN 0.217 nan 8.230 nan 0.000 0.473 759 L N 4.399 125.641 121.223 0.032 0.000 2.439 759 L HA 0.178 4.518 4.340 0.001 0.000 0.269 759 L C -1.172 175.663 176.870 -0.059 0.000 1.179 759 L CA -1.389 53.447 54.840 -0.006 0.000 0.828 759 L CB -0.381 41.680 42.059 0.003 0.000 1.106 759 L HN 0.458 nan 8.230 nan 0.000 0.467 760 P HA -0.145 nan 4.420 nan 0.000 0.215 760 P C 1.569 178.796 177.300 -0.122 0.000 1.153 760 P CA 1.464 64.482 63.100 -0.137 0.000 0.853 760 P CB 0.165 31.799 31.700 -0.111 0.000 0.788 761 S N -0.842 114.812 115.700 -0.077 0.000 2.442 761 S HA -0.197 4.274 4.470 0.001 0.000 0.236 761 S C 1.898 176.461 174.600 -0.061 0.000 1.007 761 S CA 0.941 59.103 58.200 -0.063 0.000 0.965 761 S CB -1.152 62.027 63.200 -0.036 0.000 0.773 761 S HN 0.251 nan 8.310 nan 0.000 0.504 762 Q N 0.270 120.038 119.800 -0.054 0.000 2.435 762 Q HA 0.262 4.602 4.340 0.001 0.000 0.207 762 Q C 0.200 176.152 176.000 -0.080 0.000 0.956 762 Q CA 0.318 56.100 55.803 -0.035 0.000 0.917 762 Q CB -0.194 28.552 28.738 0.014 0.000 0.997 762 Q HN 0.575 nan 8.270 nan 0.000 0.497 763 L N 1.862 122.990 121.223 -0.158 0.000 2.480 763 L HA 0.153 4.493 4.340 0.001 0.000 0.243 763 L C -0.524 176.166 176.870 -0.301 0.000 1.315 763 L CA -0.484 54.187 54.840 -0.281 0.000 1.231 763 L CB -0.007 41.802 42.059 -0.417 0.000 1.444 763 L HN -0.099 nan 8.230 nan 0.000 0.409 764 V N 2.110 121.872 119.914 -0.255 0.000 2.583 764 V HA 0.306 4.426 4.120 0.001 0.000 0.287 764 V C 0.508 176.297 176.094 -0.509 0.000 1.051 764 V CA -0.515 61.624 62.300 -0.269 0.000 1.010 764 V CB 1.167 32.902 31.823 -0.147 0.000 0.988 764 V HN 0.503 nan 8.190 nan 0.000 0.478 765 R N 2.913 123.142 120.500 -0.453 0.000 2.732 765 R HA 0.480 4.820 4.340 0.001 0.000 0.278 765 R C -0.838 175.320 176.300 -0.238 0.000 0.976 765 R CA -0.767 55.008 56.100 -0.541 0.000 0.963 765 R CB 1.073 31.147 30.300 -0.376 0.000 1.150 765 R HN 0.598 nan 8.270 nan 0.000 0.478 766 Y N 0.960 121.394 120.300 0.223 0.000 2.326 766 Y HA 0.296 4.846 4.550 0.001 0.000 0.333 766 Y C 1.111 177.062 175.900 0.085 0.000 1.240 766 Y CA -0.265 57.925 58.100 0.150 0.000 1.365 766 Y CB 0.822 39.368 38.460 0.143 0.000 1.289 766 Y HN 0.153 nan 8.280 nan 0.000 0.548 767 R N 0.969 121.622 120.500 0.255 0.000 2.643 767 R HA 0.263 4.603 4.340 0.001 0.000 0.272 767 R C -0.832 175.561 176.300 0.156 0.000 0.995 767 R CA -1.041 55.160 56.100 0.169 0.000 1.032 767 R CB 1.226 31.611 30.300 0.143 0.000 1.126 767 R HN 0.627 nan 8.270 nan 0.000 0.505 768 E N 1.225 121.529 120.200 0.174 0.000 2.313 768 E HA 0.124 4.474 4.350 0.001 0.000 0.276 768 E C -0.598 176.154 176.600 0.253 0.000 1.031 768 E CA -0.572 55.943 56.400 0.193 0.000 0.857 768 E CB 0.998 30.801 29.700 0.171 0.000 1.040 768 E HN 0.219 nan 8.360 nan 0.000 0.408 769 V N 4.177 124.175 119.914 0.139 0.000 2.720 769 V HA -0.140 3.981 4.120 0.001 0.000 0.307 769 V C 0.396 176.541 176.094 0.084 0.000 1.071 769 V CA 0.789 63.104 62.300 0.025 0.000 1.199 769 V CB 0.719 32.507 31.823 -0.058 0.000 0.900 769 V HN 0.750 nan 8.190 nan 0.000 0.494 770 Q N 4.110 123.813 119.800 -0.162 0.000 2.400 770 Q HA 0.351 4.692 4.340 0.001 0.000 0.255 770 Q C -1.112 174.711 176.000 -0.294 0.000 1.008 770 Q CA -0.973 54.592 55.803 -0.397 0.000 0.841 770 Q CB 1.068 29.270 28.738 -0.895 0.000 1.220 770 Q HN 0.560 nan 8.270 nan 0.000 0.474 771 L N 6.603 127.721 121.223 -0.175 0.000 2.426 771 L HA 0.331 4.672 4.340 0.001 0.000 0.271 771 L C -1.975 174.837 176.870 -0.096 0.000 1.169 771 L CA -1.765 53.033 54.840 -0.069 0.000 0.836 771 L CB 0.140 42.264 42.059 0.107 0.000 1.112 771 L HN 0.613 nan 8.230 nan 0.000 0.465 772 P HA 0.073 nan 4.420 nan 0.000 0.275 772 P C -0.815 176.654 177.300 0.281 0.000 1.227 772 P CA -0.620 62.561 63.100 0.134 0.000 0.781 772 P CB 0.490 32.289 31.700 0.165 0.000 0.906 773 D N 2.968 123.525 120.400 0.261 0.000 2.629 773 D HA -0.091 4.550 4.640 0.001 0.000 0.228 773 D C 1.105 177.485 176.300 0.133 0.000 1.127 773 D CA 0.738 54.879 54.000 0.235 0.000 0.855 773 D CB -0.035 40.838 40.800 0.122 0.000 1.180 773 D HN 0.392 nan 8.370 nan 0.000 0.484 774 R N -0.274 120.266 120.500 0.067 0.000 4.000 774 R HA -0.171 4.169 4.340 0.001 0.000 0.362 774 R C 0.815 177.163 176.300 0.080 0.000 1.183 774 R CA 0.963 57.083 56.100 0.035 0.000 1.011 774 R CB -1.805 28.499 30.300 0.007 0.000 1.501 774 R HN 0.520 nan 8.270 nan 0.000 0.553 775 G N -0.208 108.687 108.800 0.158 0.000 2.444 775 G HA2 0.289 4.249 3.960 0.001 0.000 0.268 775 G HA3 0.289 4.249 3.960 0.001 0.000 0.268 775 G C -1.223 173.784 174.900 0.178 0.000 1.203 775 G CA -0.114 45.056 45.100 0.116 0.000 0.835 775 G HN 0.221 nan 8.290 nan 0.000 0.543 776 W N 3.218 124.349 121.300 -0.281 0.000 2.756 776 W HA 0.692 5.353 4.660 0.001 0.000 0.333 776 W C -2.114 174.198 176.519 -0.346 0.000 1.025 776 W CA -2.366 54.886 57.345 -0.155 0.000 1.246 776 W CB 0.961 30.377 29.460 -0.074 0.000 1.358 776 W HN 0.321 nan 8.180 nan 0.000 0.444 777 F N 4.982 124.985 119.950 0.088 0.000 2.522 777 F HA 0.736 5.264 4.527 0.000 0.000 0.324 777 F C -0.154 175.445 175.800 -0.335 0.000 1.077 777 F CA -1.333 56.573 58.000 -0.156 0.000 0.944 777 F CB 1.843 40.879 39.000 0.059 0.000 1.175 777 F HN -0.130 nan 8.300 nan 0.000 0.468 778 V N 2.536 122.294 119.914 -0.259 0.000 2.577 778 V HA 0.307 4.428 4.120 0.001 0.000 0.303 778 V C -1.555 174.430 176.094 -0.181 0.000 1.042 778 V CA -0.968 61.128 62.300 -0.341 0.000 0.872 778 V CB 1.873 33.305 31.823 -0.652 0.000 0.998 778 V HN 0.629 nan 8.190 nan 0.000 0.423 779 Y N 4.144 124.281 120.300 -0.272 0.000 2.335 779 Y HA 0.598 5.148 4.550 0.001 0.000 0.338 779 Y C -0.109 175.679 175.900 -0.188 0.000 0.977 779 Y CA -0.298 57.656 58.100 -0.243 0.000 1.114 779 Y CB 1.587 39.890 38.460 -0.262 0.000 1.182 779 Y HN 0.665 nan 8.280 nan 0.000 0.463 780 Q N 5.598 124.987 119.800 -0.684 0.000 2.333 780 Q HA 0.436 4.776 4.340 0.001 0.000 0.267 780 Q C -1.365 174.233 176.000 -0.669 0.000 1.012 780 Q CA -0.738 54.787 55.803 -0.464 0.000 0.824 780 Q CB 1.410 30.007 28.738 -0.235 0.000 1.290 780 Q HN 0.736 nan 8.270 nan 0.000 0.449 781 Q N 1.921 121.482 119.800 -0.398 0.000 2.683 781 Q HA 0.515 4.855 4.340 0.001 0.000 0.302 781 Q C -1.355 174.634 176.000 -0.019 0.000 1.042 781 Q CA -0.703 54.930 55.803 -0.282 0.000 0.773 781 Q CB 2.403 30.939 28.738 -0.335 0.000 1.508 781 Q HN 0.648 nan 8.270 nan 0.000 0.459 782 R N 0.767 121.298 120.500 0.051 0.000 2.670 782 R HA 0.417 4.757 4.340 0.001 0.000 0.289 782 R C -0.961 175.458 176.300 0.198 0.000 0.965 782 R CA -0.384 55.780 56.100 0.106 0.000 0.899 782 R CB 1.234 31.570 30.300 0.061 0.000 1.173 782 R HN 0.627 nan 8.270 nan 0.000 0.456 783 N N 1.168 119.986 118.700 0.197 0.000 2.434 783 N HA 0.047 4.787 4.740 0.001 0.000 0.272 783 N C -0.054 175.531 175.510 0.125 0.000 1.040 783 N CA -0.212 52.959 53.050 0.203 0.000 0.956 783 N CB 1.151 39.701 38.487 0.105 0.000 1.108 783 N HN 0.572 nan 8.380 nan 0.000 0.481 784 E N 2.089 122.360 120.200 0.118 0.000 2.479 784 E HA 0.014 4.364 4.350 0.001 0.000 0.193 784 E C 0.592 177.204 176.600 0.020 0.000 1.049 784 E CA 0.157 56.596 56.400 0.065 0.000 0.870 784 E CB 0.614 30.354 29.700 0.067 0.000 0.944 784 E HN 0.422 nan 8.360 nan 0.000 0.492 785 V N 0.006 119.920 119.914 0.000 0.000 3.013 785 V HA 0.029 4.149 4.120 0.001 0.000 0.238 785 V C 0.639 176.600 176.094 -0.221 0.000 1.161 785 V CA 0.352 62.574 62.300 -0.130 0.000 1.170 785 V CB 0.245 31.947 31.823 -0.201 0.000 0.917 785 V HN 0.222 nan 8.190 nan 0.000 0.478 786 H N 0.748 119.787 119.070 -0.052 0.000 2.463 786 H HA 0.328 4.884 4.556 0.001 0.000 0.332 786 H C -0.396 174.912 175.328 -0.032 0.000 1.127 786 H CA -0.241 55.775 56.048 -0.053 0.000 1.238 786 H CB 1.277 30.991 29.762 -0.080 0.000 1.478 786 H HN 0.057 nan 8.280 nan 0.000 0.499 787 N N 2.272 121.017 118.700 0.075 0.000 2.558 787 N HA 0.027 4.767 4.740 0.001 0.000 0.281 787 N C -1.010 174.524 175.510 0.041 0.000 1.219 787 N CA -0.144 52.930 53.050 0.041 0.000 0.942 787 N CB -0.181 38.312 38.487 0.010 0.000 1.241 787 N HN 0.463 nan 8.380 nan 0.000 0.511 788 N N -1.137 117.598 118.700 0.058 0.000 2.405 788 N HA 0.427 5.167 4.740 0.001 0.000 0.285 788 N C -1.143 174.393 175.510 0.044 0.000 1.262 788 N CA -0.396 52.677 53.050 0.039 0.000 0.773 788 N CB 1.218 39.723 38.487 0.031 0.000 1.490 788 N HN -0.024 nan 8.380 nan 0.000 0.486 789 C N -0.294 119.029 119.300 0.039 0.000 2.382 789 C HA 0.904 5.365 4.460 0.001 0.000 0.363 789 C C 0.969 175.999 174.990 0.068 0.000 1.213 789 C CA -0.126 58.922 59.018 0.050 0.000 2.363 789 C CB 0.557 28.314 27.740 0.029 0.000 2.397 789 C HN 0.707 nan 8.230 nan 0.000 0.573 790 G N 0.966 109.825 108.800 0.100 0.000 2.612 790 G HA2 0.754 4.714 3.960 0.001 0.000 0.298 790 G HA3 0.754 4.714 3.960 0.001 0.000 0.298 790 G C -1.722 173.277 174.900 0.165 0.000 1.336 790 G CA -0.218 44.968 45.100 0.143 0.000 0.953 790 G HN 0.795 nan 8.290 nan 0.000 0.482 791 I N 0.001 120.685 120.570 0.189 0.000 2.692 791 I HA 0.533 4.703 4.170 0.001 0.000 0.293 791 I C -1.485 174.791 176.117 0.265 0.000 1.200 791 I CA -0.735 60.697 61.300 0.221 0.000 1.036 791 I CB 2.482 40.559 38.000 0.128 0.000 1.258 791 I HN 0.608 nan 8.210 nan 0.000 0.421 792 E N 7.582 127.963 120.200 0.303 0.000 2.210 792 E HA 0.568 4.918 4.350 0.001 0.000 0.266 792 E C -1.701 175.089 176.600 0.316 0.000 0.883 792 E CA -0.654 55.929 56.400 0.304 0.000 0.761 792 E CB 1.892 31.753 29.700 0.269 0.000 1.156 792 E HN 0.536 nan 8.360 nan 0.000 0.412 793 I N 4.472 125.234 120.570 0.321 0.000 2.378 793 I HA 0.268 4.438 4.170 0.001 0.000 0.291 793 I C -1.201 175.058 176.117 0.237 0.000 0.992 793 I CA -1.031 60.401 61.300 0.220 0.000 1.154 793 I CB 1.118 39.192 38.000 0.123 0.000 1.315 793 I HN 0.539 nan 8.210 nan 0.000 0.448 794 Y N 7.385 127.677 120.300 -0.014 0.000 2.331 794 Y HA 0.432 4.982 4.550 0.000 0.000 0.334 794 Y C -1.494 174.370 175.900 -0.060 0.000 0.960 794 Y CA -1.560 56.575 58.100 0.059 0.000 1.130 794 Y CB 0.953 39.496 38.460 0.139 0.000 1.164 794 Y HN 0.352 nan 8.280 nan 0.000 0.458 795 Y N 5.397 125.724 120.300 0.045 0.000 2.717 795 Y HA 0.260 4.810 4.550 0.001 0.000 0.329 795 Y C 0.456 176.157 175.900 -0.333 0.000 1.017 795 Y CA -0.586 57.453 58.100 -0.102 0.000 1.275 795 Y CB 0.651 39.126 38.460 0.024 0.000 1.109 795 Y HN 0.551 nan 8.280 nan 0.000 0.511 796 Q N 1.968 121.474 119.800 -0.489 0.000 2.311 796 Q HA 0.055 4.395 4.340 0.001 0.000 0.272 796 Q C 0.665 176.740 176.000 0.124 0.000 1.012 796 Q CA 0.471 56.032 55.803 -0.403 0.000 0.891 796 Q CB 1.112 29.685 28.738 -0.276 0.000 1.201 796 Q HN 0.842 nan 8.270 nan 0.000 0.391 797 T N 1.226 115.874 114.554 0.157 0.000 3.356 797 T HA 0.220 4.570 4.350 0.001 0.000 0.220 797 T C 0.071 174.941 174.700 0.283 0.000 0.963 797 T CA 0.311 62.548 62.100 0.228 0.000 1.540 797 T CB 0.202 69.231 68.868 0.269 0.000 1.320 797 T HN 0.630 nan 8.240 nan 0.000 0.448 798 D N -0.959 119.543 120.400 0.169 0.000 2.671 798 D HA 0.303 4.943 4.640 0.001 0.000 0.273 798 D C -1.070 175.163 176.300 -0.111 0.000 1.264 798 D CA -0.785 53.279 54.000 0.106 0.000 0.788 798 D CB 2.102 43.018 40.800 0.192 0.000 1.324 798 D HN 0.441 nan 8.370 nan 0.000 0.424 799 M N 1.197 120.665 119.600 -0.220 0.000 2.219 799 M HA -0.082 4.398 4.480 0.001 0.000 0.340 799 M C -0.006 176.246 176.300 -0.080 0.000 1.135 799 M CA 0.794 55.971 55.300 -0.206 0.000 0.976 799 M CB 0.306 32.859 32.600 -0.079 0.000 1.713 799 M HN 0.149 nan 8.290 nan 0.000 0.457 800 Q N 2.611 122.358 119.800 -0.088 0.000 2.337 800 Q HA 0.347 4.687 4.340 0.001 0.000 0.270 800 Q C -0.582 175.380 176.000 -0.063 0.000 1.002 800 Q CA 0.263 56.029 55.803 -0.062 0.000 0.888 800 Q CB 0.719 29.414 28.738 -0.072 0.000 1.222 800 Q HN 0.764 nan 8.270 nan 0.000 0.400 801 S N -0.224 115.432 115.700 -0.073 0.000 2.587 801 S HA 0.232 4.702 4.470 0.001 0.000 0.269 801 S C 0.434 174.933 174.600 -0.169 0.000 1.154 801 S CA -0.634 57.504 58.200 -0.103 0.000 0.824 801 S CB 1.108 64.257 63.200 -0.085 0.000 1.118 801 S HN 0.504 nan 8.310 nan 0.000 0.462 802 T N 2.346 116.758 114.554 -0.235 0.000 2.653 802 T HA -0.178 4.172 4.350 0.001 0.000 0.268 802 T C 2.200 176.554 174.700 -0.578 0.000 1.035 802 T CA 2.663 64.544 62.100 -0.364 0.000 1.154 802 T CB -0.944 67.671 68.868 -0.423 0.000 0.862 802 T HN 0.996 nan 8.240 nan 0.000 0.441 803 S N 1.574 116.847 115.700 -0.711 0.000 2.355 803 S HA -0.098 4.372 4.470 0.001 0.000 0.222 803 S C 1.953 176.235 174.600 -0.530 0.000 1.031 803 S CA 0.803 58.509 58.200 -0.823 0.000 0.993 803 S CB -0.343 62.558 63.200 -0.499 0.000 0.859 803 S HN 0.365 nan 8.310 nan 0.000 0.453 804 E N 1.948 122.049 120.200 -0.164 0.000 2.106 804 E HA -0.034 4.316 4.350 0.001 0.000 0.192 804 E C 1.948 178.532 176.600 -0.027 0.000 0.984 804 E CA 0.793 57.221 56.400 0.047 0.000 0.806 804 E CB -0.683 29.077 29.700 0.100 0.000 0.750 804 E HN 0.723 nan 8.360 nan 0.000 0.458 805 N N 0.119 118.765 118.700 -0.091 0.000 2.084 805 N HA -0.129 4.612 4.740 0.001 0.000 0.190 805 N C 1.665 177.138 175.510 -0.060 0.000 1.030 805 N CA 1.147 54.162 53.050 -0.059 0.000 0.849 805 N CB -0.025 38.414 38.487 -0.081 0.000 1.012 805 N HN 0.074 nan 8.380 nan 0.000 0.423 806 M N -0.202 119.323 119.600 -0.125 0.000 2.388 806 M HA 0.055 4.536 4.480 0.001 0.000 0.265 806 M C 1.525 177.770 176.300 -0.093 0.000 1.088 806 M CA 0.900 56.150 55.300 -0.084 0.000 1.134 806 M CB -1.127 31.471 32.600 -0.002 0.000 1.384 806 M HN 0.145 nan 8.290 nan 0.000 0.447 807 F N 0.436 120.274 119.950 -0.187 0.000 2.075 807 F HA -0.272 4.255 4.527 0.000 0.000 0.297 807 F C 2.329 177.834 175.800 -0.493 0.000 1.113 807 F CA 0.772 58.449 58.000 -0.538 0.000 1.218 807 F CB -0.428 37.864 39.000 -1.179 0.000 0.984 807 F HN 0.108 nan 8.300 nan 0.000 0.472 808 L N 0.477 121.630 121.223 -0.117 0.000 2.056 808 L HA -0.152 4.188 4.340 0.001 0.000 0.207 808 L C 2.039 179.028 176.870 0.198 0.000 1.078 808 L CA 1.829 56.768 54.840 0.165 0.000 0.749 808 L CB -0.671 41.530 42.059 0.237 0.000 0.901 808 L HN 0.067 nan 8.230 nan 0.000 0.433 809 E N -0.494 119.763 120.200 0.096 0.000 2.150 809 E HA -0.205 4.146 4.350 0.001 0.000 0.193 809 E C 2.227 178.856 176.600 0.049 0.000 0.985 809 E CA 1.134 57.573 56.400 0.064 0.000 0.814 809 E CB -0.158 29.556 29.700 0.023 0.000 0.752 809 E HN 0.519 nan 8.360 nan 0.000 0.466 810 L N 0.058 121.319 121.223 0.062 0.000 2.095 810 L HA -0.076 4.264 4.340 0.001 0.000 0.204 810 L C 2.218 179.131 176.870 0.073 0.000 1.080 810 L CA 0.796 55.655 54.840 0.031 0.000 0.759 810 L CB -0.175 41.906 42.059 0.035 0.000 0.914 810 L HN 0.145 nan 8.230 nan 0.000 0.439 811 F N 0.288 120.280 119.950 0.070 0.000 2.095 811 F HA -0.338 4.190 4.527 0.000 0.000 0.298 811 F C 2.672 178.499 175.800 0.046 0.000 1.104 811 F CA 2.045 60.118 58.000 0.121 0.000 1.232 811 F CB -0.462 38.725 39.000 0.311 0.000 0.987 811 F HN 0.140 nan 8.300 nan 0.000 0.475 812 C N 0.341 119.695 119.300 0.090 0.000 2.376 812 C HA -0.287 4.173 4.460 0.001 0.000 0.275 812 C C 2.785 177.672 174.990 -0.172 0.000 1.200 812 C CA 1.766 60.748 59.018 -0.060 0.000 1.756 812 C CB -1.283 26.465 27.740 0.013 0.000 2.050 812 C HN 0.669 nan 8.230 nan 0.000 0.460 813 Q N 0.895 120.610 119.800 -0.142 0.000 2.112 813 Q HA -0.159 4.182 4.340 0.001 0.000 0.206 813 Q C 1.739 177.542 176.000 -0.328 0.000 0.987 813 Q CA 2.037 57.739 55.803 -0.168 0.000 0.858 813 Q CB -0.601 28.069 28.738 -0.115 0.000 0.905 813 Q HN 0.704 nan 8.270 nan 0.000 0.420 814 I N 0.264 120.551 120.570 -0.472 0.000 2.226 814 I HA -0.211 3.959 4.170 0.001 0.000 0.245 814 I C 2.108 177.936 176.117 -0.480 0.000 1.100 814 I CA 1.459 62.324 61.300 -0.726 0.000 1.374 814 I CB -0.323 37.342 38.000 -0.558 0.000 1.057 814 I HN 0.422 nan 8.210 nan 0.000 0.413 815 I N -3.502 116.827 120.570 -0.402 0.000 3.728 815 I HA 0.063 4.233 4.170 0.001 0.000 0.307 815 I C 2.273 178.365 176.117 -0.042 0.000 1.276 815 I CA 0.324 61.523 61.300 -0.169 0.000 1.285 815 I CB 0.103 37.987 38.000 -0.194 0.000 1.038 815 I HN -0.042 nan 8.210 nan 0.000 0.445 816 S N 1.651 117.263 115.700 -0.147 0.000 2.354 816 S HA -0.257 4.214 4.470 0.001 0.000 0.219 816 S C 2.128 176.687 174.600 -0.069 0.000 1.035 816 S CA 2.159 60.274 58.200 -0.142 0.000 1.037 816 S CB -0.395 62.710 63.200 -0.158 0.000 0.956 816 S HN 0.678 nan 8.310 nan 0.000 0.428 817 E N 1.037 121.217 120.200 -0.033 0.000 2.072 817 E HA -0.039 4.311 4.350 0.001 0.000 0.191 817 E C -0.742 175.918 176.600 0.100 0.000 0.985 817 E CA 1.297 57.714 56.400 0.027 0.000 0.801 817 E CB -1.340 28.373 29.700 0.022 0.000 0.750 817 E HN 0.383 nan 8.360 nan 0.000 0.452 818 P HA -0.114 nan 4.420 nan 0.000 0.218 818 P C 1.836 179.239 177.300 0.172 0.000 1.148 818 P CA 1.122 64.340 63.100 0.198 0.000 0.822 818 P CB -0.299 31.553 31.700 0.254 0.000 0.784 819 C N -1.955 117.347 119.300 0.003 0.000 2.453 819 C HA -0.090 4.370 4.460 0.001 0.000 0.277 819 C C 2.486 177.316 174.990 -0.267 0.000 1.262 819 C CA 0.274 58.975 59.018 -0.528 0.000 1.718 819 C CB -2.039 25.505 27.740 -0.326 0.000 2.031 819 C HN 0.130 nan 8.230 nan 0.000 0.480 820 F N 1.895 121.723 119.950 -0.204 0.000 2.134 820 F HA -0.084 4.443 4.527 0.001 0.000 0.299 820 F C 2.342 178.088 175.800 -0.089 0.000 1.097 820 F CA 2.205 60.122 58.000 -0.137 0.000 1.264 820 F CB -0.838 38.097 39.000 -0.108 0.000 1.001 820 F HN 0.352 nan 8.300 nan 0.000 0.479 821 N N -0.707 118.072 118.700 0.131 0.000 2.104 821 N HA -0.195 4.545 4.740 0.001 0.000 0.190 821 N C 1.579 177.068 175.510 -0.036 0.000 1.024 821 N CA 2.055 55.146 53.050 0.067 0.000 0.853 821 N CB -0.129 38.437 38.487 0.131 0.000 1.008 821 N HN 0.323 nan 8.380 nan 0.000 0.424 822 T N 1.541 116.071 114.554 -0.041 0.000 2.668 822 T HA -0.028 4.323 4.350 0.001 0.000 0.258 822 T C 1.868 176.509 174.700 -0.098 0.000 1.051 822 T CA 0.484 62.570 62.100 -0.024 0.000 1.155 822 T CB -0.146 68.775 68.868 0.090 0.000 0.864 822 T HN 0.062 nan 8.240 nan 0.000 0.413 823 L N 0.728 121.834 121.223 -0.194 0.000 2.156 823 L HA 0.174 4.514 4.340 0.001 0.000 0.208 823 L C 2.358 179.111 176.870 -0.195 0.000 1.095 823 L CA 1.514 56.248 54.840 -0.176 0.000 0.770 823 L CB -0.967 40.969 42.059 -0.205 0.000 0.914 823 L HN 0.204 nan 8.230 nan 0.000 0.439 824 R N -1.340 118.960 120.500 -0.332 0.000 2.056 824 R HA -0.014 4.327 4.340 0.001 0.000 0.215 824 R C 2.142 178.270 176.300 -0.287 0.000 1.205 824 R CA 1.184 57.045 56.100 -0.399 0.000 1.020 824 R CB -0.254 29.555 30.300 -0.819 0.000 0.911 824 R HN 0.118 nan 8.270 nan 0.000 0.451 825 T N 1.849 116.214 114.554 -0.314 0.000 2.737 825 T HA -0.052 4.298 4.350 0.001 0.000 0.265 825 T C 1.492 176.162 174.700 -0.050 0.000 1.038 825 T CA 1.143 63.164 62.100 -0.131 0.000 1.144 825 T CB -0.020 68.820 68.868 -0.046 0.000 0.866 825 T HN 0.100 nan 8.240 nan 0.000 0.434 826 K N 1.570 121.943 120.400 -0.044 0.000 1.975 826 K HA 0.082 4.402 4.320 0.001 0.000 0.210 826 K C 2.302 178.898 176.600 -0.008 0.000 1.041 826 K CA 1.262 57.545 56.287 -0.008 0.000 0.942 826 K CB -0.566 31.941 32.500 0.012 0.000 0.729 826 K HN 0.450 nan 8.250 nan 0.000 0.439 827 E N 1.288 121.477 120.200 -0.019 0.000 2.358 827 E HA -0.047 4.304 4.350 0.001 0.000 0.195 827 E C -0.313 176.288 176.600 0.001 0.000 1.010 827 E CA -0.062 56.342 56.400 0.006 0.000 0.856 827 E CB 0.160 29.869 29.700 0.014 0.000 0.795 827 E HN 0.161 nan 8.360 nan 0.000 0.504 828 Q N -0.374 119.404 119.800 -0.037 0.000 2.451 828 Q HA -0.222 4.118 4.340 0.001 0.000 0.305 828 Q C 0.942 176.937 176.000 -0.007 0.000 1.345 828 Q CA 0.506 56.291 55.803 -0.030 0.000 0.854 828 Q CB -2.095 26.641 28.738 -0.004 0.000 1.162 828 Q HN 0.449 nan 8.270 nan 0.000 0.440 829 L N -1.657 119.557 121.223 -0.015 0.000 2.141 829 L HA -0.005 4.336 4.340 0.001 0.000 0.209 829 L C 1.336 178.214 176.870 0.013 0.000 1.094 829 L CA 1.431 56.282 54.840 0.018 0.000 0.763 829 L CB 0.004 42.073 42.059 0.015 0.000 0.908 829 L HN 0.472 nan 8.230 nan 0.000 0.437 830 G N -3.470 105.325 108.800 -0.007 0.000 2.368 830 G HA2 0.100 4.060 3.960 0.001 0.000 0.293 830 G HA3 0.100 4.060 3.960 0.001 0.000 0.293 830 G C -0.823 174.098 174.900 0.035 0.000 1.467 830 G CA -0.429 44.689 45.100 0.030 0.000 0.804 830 G HN -0.162 nan 8.290 nan 0.000 0.535 831 Y N 0.536 120.822 120.300 -0.023 0.000 2.200 831 Y HA 0.236 4.786 4.550 0.001 0.000 0.290 831 Y C 1.368 177.279 175.900 0.019 0.000 1.137 831 Y CA 1.213 59.319 58.100 0.010 0.000 1.163 831 Y CB -0.007 38.471 38.460 0.029 0.000 0.988 831 Y HN 0.295 nan 8.280 nan 0.000 0.518 832 I N 1.965 122.521 120.570 -0.023 0.000 2.322 832 I HA 0.216 4.386 4.170 0.001 0.000 0.292 832 I C -1.082 175.011 176.117 -0.040 0.000 1.060 832 I CA -0.241 60.995 61.300 -0.106 0.000 1.309 832 I CB 0.670 38.552 38.000 -0.198 0.000 1.415 832 I HN -0.220 nan 8.210 nan 0.000 0.492 833 V N 7.753 127.675 119.914 0.013 0.000 2.567 833 V HA 0.417 4.538 4.120 0.001 0.000 0.298 833 V C -0.973 175.250 176.094 0.215 0.000 1.047 833 V CA -0.658 61.684 62.300 0.070 0.000 0.880 833 V CB 1.932 33.707 31.823 -0.080 0.000 1.009 833 V HN 0.474 nan 8.190 nan 0.000 0.429 834 F N 4.374 124.358 119.950 0.057 0.000 2.578 834 F HA 0.837 5.364 4.527 0.001 0.000 0.311 834 F C -0.077 175.709 175.800 -0.023 0.000 1.094 834 F CA -0.070 57.950 58.000 0.033 0.000 0.923 834 F CB 2.315 41.331 39.000 0.026 0.000 1.230 834 F HN 0.525 nan 8.300 nan 0.000 0.450 835 S N 3.603 118.716 115.700 -0.977 0.000 2.595 835 S HA 1.043 5.513 4.470 0.001 0.000 0.281 835 S C -0.628 173.326 174.600 -1.076 0.000 1.117 835 S CA -0.210 57.419 58.200 -0.952 0.000 0.873 835 S CB 1.795 64.424 63.200 -0.953 0.000 1.108 835 S HN 1.765 nan 8.310 nan 0.000 0.477 836 G N 0.335 108.808 108.800 -0.545 0.000 2.336 836 G HA2 0.461 4.421 3.960 0.001 0.000 0.300 836 G HA3 0.461 4.421 3.960 0.001 0.000 0.300 836 G C -3.733 171.188 174.900 0.035 0.000 1.375 836 G CA -0.810 44.140 45.100 -0.249 0.000 0.885 836 G HN 0.664 nan 8.290 nan 0.000 0.599 837 P HA 0.339 nan 4.420 nan 0.000 0.268 837 P C -0.404 177.008 177.300 0.187 0.000 1.205 837 P CA -0.046 63.154 63.100 0.167 0.000 0.771 837 P CB 0.634 32.411 31.700 0.128 0.000 0.858 838 R N 2.759 123.384 120.500 0.209 0.000 2.494 838 R HA 0.549 4.889 4.340 0.001 0.000 0.305 838 R C -0.820 175.541 176.300 0.101 0.000 0.959 838 R CA -0.808 55.364 56.100 0.120 0.000 0.864 838 R CB 0.802 31.110 30.300 0.013 0.000 1.159 838 R HN 0.293 nan 8.270 nan 0.000 0.446 839 R N 2.172 122.694 120.500 0.036 0.000 2.451 839 R HA 0.582 4.922 4.340 0.001 0.000 0.307 839 R C -1.618 174.669 176.300 -0.022 0.000 0.965 839 R CA -0.353 55.756 56.100 0.015 0.000 0.865 839 R CB 2.248 32.550 30.300 0.004 0.000 1.174 839 R HN 0.701 nan 8.270 nan 0.000 0.455 840 A N 2.692 125.496 122.820 -0.027 0.000 2.459 840 A HA 0.495 4.816 4.320 0.001 0.000 0.296 840 A C -0.799 176.772 177.584 -0.022 0.000 1.039 840 A CA -0.771 51.247 52.037 -0.031 0.000 0.698 840 A CB 0.857 19.829 19.000 -0.047 0.000 1.261 840 A HN 0.757 nan 8.150 nan 0.000 0.405 841 N N 0.685 119.380 118.700 -0.008 0.000 2.735 841 N HA -0.160 4.580 4.740 0.001 0.000 0.248 841 N C 0.669 176.160 175.510 -0.031 0.000 1.083 841 N CA 2.475 55.533 53.050 0.014 0.000 0.703 841 N CB -1.348 37.177 38.487 0.062 0.000 1.005 841 N HN 2.477 nan 8.380 nan 0.000 0.550 845 G N 0.026 109.062 108.800 0.392 0.000 2.323 845 G HA2 0.359 4.319 3.960 0.001 0.000 0.291 845 G HA3 0.359 4.319 3.960 0.001 0.000 0.291 845 G C -2.220 172.955 174.900 0.458 0.000 1.278 845 G CA -0.586 44.753 45.100 0.398 0.000 0.860 845 G HN 0.567 nan 8.290 nan 0.000 0.504 846 L N 1.032 122.530 121.223 0.458 0.000 2.322 846 L HA 0.797 5.137 4.340 0.001 0.000 0.281 846 L C 0.077 177.271 176.870 0.540 0.000 1.014 846 L CA -0.842 54.263 54.840 0.442 0.000 0.815 846 L CB 1.507 43.838 42.059 0.454 0.000 1.247 846 L HN 0.905 nan 8.230 nan 0.000 0.421 847 R N 2.891 123.608 120.500 0.362 0.000 2.803 847 R HA 0.722 5.063 4.340 0.001 0.000 0.276 847 R C -1.858 174.529 176.300 0.144 0.000 0.978 847 R CA -0.690 55.640 56.100 0.382 0.000 0.939 847 R CB 1.780 32.283 30.300 0.339 0.000 1.179 847 R HN 0.279 nan 8.270 nan 0.000 0.472 848 F N 1.303 121.441 119.950 0.314 0.000 2.540 848 F HA 0.564 5.091 4.527 0.001 0.000 0.317 848 F C -0.374 175.587 175.800 0.268 0.000 1.104 848 F CA -0.844 57.311 58.000 0.258 0.000 0.913 848 F CB 2.143 41.278 39.000 0.224 0.000 1.170 848 F HN 0.298 nan 8.300 nan 0.000 0.450 849 I N 4.722 125.555 120.570 0.438 0.000 2.498 849 I HA 0.548 4.718 4.170 0.001 0.000 0.290 849 I C -0.943 175.333 176.117 0.264 0.000 1.032 849 I CA -0.457 61.048 61.300 0.342 0.000 1.073 849 I CB 2.025 40.214 38.000 0.315 0.000 1.251 849 I HN 0.407 nan 8.210 nan 0.000 0.426 850 I N 5.141 125.831 120.570 0.200 0.000 2.686 850 I HA 0.393 4.563 4.170 0.001 0.000 0.295 850 I C -0.877 175.300 176.117 0.099 0.000 1.114 850 I CA -0.558 60.815 61.300 0.122 0.000 1.038 850 I CB 2.430 40.490 38.000 0.099 0.000 1.238 850 I HN 0.541 nan 8.210 nan 0.000 0.420 851 Q N 3.936 123.767 119.800 0.051 0.000 2.321 851 Q HA 0.712 5.052 4.340 0.001 0.000 0.270 851 Q C -1.458 174.567 176.000 0.042 0.000 1.032 851 Q CA -0.292 55.544 55.803 0.055 0.000 0.784 851 Q CB 2.227 30.988 28.738 0.039 0.000 1.264 851 Q HN 0.705 nan 8.270 nan 0.000 0.448 852 S N 1.838 117.562 115.700 0.041 0.000 2.570 852 S HA 0.151 4.622 4.470 0.001 0.000 0.270 852 S C -0.109 174.505 174.600 0.022 0.000 1.149 852 S CA -0.517 57.703 58.200 0.032 0.000 0.837 852 S CB 1.784 65.007 63.200 0.037 0.000 1.124 852 S HN 0.870 nan 8.310 nan 0.000 0.465 853 E N 1.056 121.264 120.200 0.013 0.000 2.216 853 E HA 0.034 4.384 4.350 0.001 0.000 0.192 853 E C -0.088 176.503 176.600 -0.015 0.000 0.988 853 E CA 0.555 56.955 56.400 -0.000 0.000 0.834 853 E CB 0.079 29.774 29.700 -0.008 0.000 0.772 853 E HN 0.326 nan 8.360 nan 0.000 0.479 854 K N 2.259 122.652 120.400 -0.013 0.000 2.355 854 K HA 0.133 4.453 4.320 0.001 0.000 0.270 854 K C -2.328 174.245 176.600 -0.044 0.000 1.003 854 K CA -1.717 54.549 56.287 -0.036 0.000 0.957 854 K CB 0.327 32.858 32.500 0.052 0.000 0.939 854 K HN 0.111 nan 8.250 nan 0.000 0.482 855 P HA 0.082 nan 4.420 nan 0.000 0.271 855 P C -2.161 175.005 177.300 -0.224 0.000 1.216 855 P CA -1.376 61.620 63.100 -0.174 0.000 0.776 855 P CB 0.147 31.675 31.700 -0.287 0.000 0.881 856 P HA -0.230 nan 4.420 nan 0.000 0.216 856 P C 1.623 178.730 177.300 -0.322 0.000 1.154 856 P CA 1.750 64.649 63.100 -0.336 0.000 0.865 856 P CB -0.681 30.665 31.700 -0.590 0.000 0.789 857 H N -2.265 116.752 119.070 -0.088 0.000 2.422 857 H HA -0.203 4.354 4.556 0.001 0.000 0.298 857 H C 2.029 177.420 175.328 0.106 0.000 1.098 857 H CA 1.256 57.358 56.048 0.091 0.000 1.315 857 H CB -1.334 28.523 29.762 0.157 0.000 1.382 857 H HN 0.169 nan 8.280 nan 0.000 0.523 858 Y N 1.426 121.475 120.300 -0.418 0.000 2.220 858 Y HA -0.100 4.451 4.550 0.001 0.000 0.291 858 Y C 2.411 178.265 175.900 -0.076 0.000 1.129 858 Y CA 0.776 58.770 58.100 -0.176 0.000 1.161 858 Y CB -0.305 37.999 38.460 -0.261 0.000 0.997 858 Y HN 0.101 nan 8.280 nan 0.000 0.522 859 L N 0.749 121.892 121.223 -0.134 0.000 2.083 859 L HA -0.176 4.164 4.340 0.001 0.000 0.209 859 L C 2.386 179.171 176.870 -0.141 0.000 1.083 859 L CA 2.019 56.780 54.840 -0.132 0.000 0.752 859 L CB -1.298 40.730 42.059 -0.052 0.000 0.899 859 L HN 0.351 nan 8.230 nan 0.000 0.433 860 E N -0.656 119.497 120.200 -0.079 0.000 2.072 860 E HA -0.180 4.170 4.350 0.001 0.000 0.191 860 E C 2.344 178.901 176.600 -0.072 0.000 0.985 860 E CA 1.405 57.800 56.400 -0.009 0.000 0.801 860 E CB -0.016 29.785 29.700 0.168 0.000 0.750 860 E HN 0.531 nan 8.360 nan 0.000 0.452 861 S N 0.131 115.772 115.700 -0.098 0.000 2.368 861 S HA -0.156 4.314 4.470 0.001 0.000 0.225 861 S C 2.013 176.502 174.600 -0.186 0.000 1.030 861 S CA 0.653 58.777 58.200 -0.127 0.000 0.999 861 S CB -0.335 62.802 63.200 -0.104 0.000 0.844 861 S HN 0.153 nan 8.310 nan 0.000 0.459 862 R N 1.076 121.394 120.500 -0.304 0.000 2.073 862 R HA 0.053 4.394 4.340 0.001 0.000 0.234 862 R C 2.482 178.708 176.300 -0.123 0.000 1.134 862 R CA 1.338 57.294 56.100 -0.239 0.000 0.952 862 R CB -1.581 28.526 30.300 -0.322 0.000 0.850 862 R HN 0.465 nan 8.270 nan 0.000 0.433 863 V N 1.910 121.729 119.914 -0.159 0.000 2.332 863 V HA -0.204 3.916 4.120 0.001 0.000 0.248 863 V C 2.354 178.370 176.094 -0.129 0.000 1.055 863 V CA 1.734 63.901 62.300 -0.221 0.000 1.038 863 V CB -0.381 31.205 31.823 -0.395 0.000 0.651 863 V HN 0.268 nan 8.190 nan 0.000 0.450 864 E N 0.204 120.339 120.200 -0.107 0.000 2.107 864 E HA -0.118 4.233 4.350 0.001 0.000 0.191 864 E C 2.381 178.949 176.600 -0.054 0.000 0.982 864 E CA 1.347 57.699 56.400 -0.080 0.000 0.809 864 E CB -0.432 29.210 29.700 -0.097 0.000 0.756 864 E HN 0.579 nan 8.360 nan 0.000 0.459 865 A N 1.116 123.909 122.820 -0.044 0.000 1.902 865 A HA -0.185 4.135 4.320 0.001 0.000 0.217 865 A C 2.066 179.651 177.584 0.001 0.000 1.181 865 A CA 1.311 53.333 52.037 -0.024 0.000 0.623 865 A CB -0.854 18.131 19.000 -0.025 0.000 0.818 865 A HN 0.304 nan 8.150 nan 0.000 0.443 866 F N 0.285 120.181 119.950 -0.089 0.000 2.126 866 F HA -0.165 4.362 4.527 0.001 0.000 0.299 866 F C 1.732 177.510 175.800 -0.037 0.000 1.096 866 F CA 1.406 59.370 58.000 -0.060 0.000 1.255 866 F CB -0.234 38.730 39.000 -0.060 0.000 0.997 866 F HN 0.134 nan 8.300 nan 0.000 0.479 867 L N 0.520 121.623 121.223 -0.199 0.000 2.079 867 L HA -0.209 4.132 4.340 0.001 0.000 0.210 867 L C 2.385 179.121 176.870 -0.224 0.000 1.081 867 L CA 1.527 56.243 54.840 -0.206 0.000 0.752 867 L CB -1.216 40.847 42.059 0.006 0.000 0.896 867 L HN 0.267 nan 8.230 nan 0.000 0.433 868 I N -1.384 119.097 120.570 -0.149 0.000 2.133 868 I HA -0.316 3.854 4.170 0.001 0.000 0.238 868 I C 2.330 178.333 176.117 -0.191 0.000 1.074 868 I CA 1.420 62.650 61.300 -0.116 0.000 1.342 868 I CB -0.522 37.441 38.000 -0.062 0.000 1.053 868 I HN 0.194 nan 8.210 nan 0.000 0.404 869 T N 0.631 115.064 114.554 -0.202 0.000 2.649 869 T HA -0.313 4.037 4.350 0.001 0.000 0.268 869 T C 1.819 176.341 174.700 -0.297 0.000 1.036 869 T CA 2.035 64.012 62.100 -0.204 0.000 1.157 869 T CB -0.262 68.505 68.868 -0.168 0.000 0.861 869 T HN 0.159 nan 8.240 nan 0.000 0.445 870 M N 0.906 120.192 119.600 -0.523 0.000 2.229 870 M HA -0.002 4.478 4.480 0.001 0.000 0.264 870 M C 2.067 178.124 176.300 -0.404 0.000 1.063 870 M CA 1.430 56.402 55.300 -0.545 0.000 1.114 870 M CB -0.350 31.736 32.600 -0.857 0.000 1.387 870 M HN 0.293 nan 8.290 nan 0.000 0.420 871 E N 0.038 119.980 120.200 -0.429 0.000 2.047 871 E HA -0.231 4.119 4.350 0.001 0.000 0.191 871 E C 2.080 178.541 176.600 -0.232 0.000 0.987 871 E CA 1.993 58.133 56.400 -0.433 0.000 0.799 871 E CB -0.054 29.364 29.700 -0.470 0.000 0.752 871 E HN 0.499 nan 8.360 nan 0.000 0.449 872 K N 0.697 120.993 120.400 -0.172 0.000 2.103 872 K HA -0.132 4.189 4.320 0.001 0.000 0.207 872 K C 2.086 178.627 176.600 -0.100 0.000 1.048 872 K CA 1.761 57.983 56.287 -0.109 0.000 0.930 872 K CB -1.356 31.094 32.500 -0.083 0.000 0.716 872 K HN 0.215 nan 8.250 nan 0.000 0.444 873 S N 0.063 115.689 115.700 -0.122 0.000 2.383 873 S HA -0.064 4.407 4.470 0.001 0.000 0.227 873 S C 2.073 176.632 174.600 -0.068 0.000 1.026 873 S CA 1.236 59.384 58.200 -0.087 0.000 0.981 873 S CB -0.439 62.703 63.200 -0.097 0.000 0.818 873 S HN 0.521 nan 8.310 nan 0.000 0.472 874 I N 1.766 122.278 120.570 -0.097 0.000 2.394 874 I HA -0.019 4.152 4.170 0.001 0.000 0.251 874 I C 3.066 179.154 176.117 -0.050 0.000 1.136 874 I CA 1.399 62.667 61.300 -0.052 0.000 1.425 874 I CB -0.825 37.144 38.000 -0.051 0.000 1.079 874 I HN 0.487 nan 8.210 nan 0.000 0.425 875 E N 0.727 120.886 120.200 -0.069 0.000 2.110 875 E HA -0.244 4.106 4.350 0.001 0.000 0.193 875 E C 1.612 178.185 176.600 -0.045 0.000 0.988 875 E CA 1.822 58.187 56.400 -0.059 0.000 0.804 875 E CB -0.534 29.131 29.700 -0.058 0.000 0.745 875 E HN 0.514 nan 8.360 nan 0.000 0.458 876 D N -0.902 119.477 120.400 -0.035 0.000 2.360 876 D HA 0.130 4.770 4.640 0.001 0.000 0.210 876 D C 1.218 177.514 176.300 -0.007 0.000 1.047 876 D CA 0.251 54.238 54.000 -0.022 0.000 0.854 876 D CB -0.104 40.684 40.800 -0.019 0.000 0.936 876 D HN 0.705 nan 8.370 nan 0.000 0.514 877 M N 0.347 119.949 119.600 0.003 0.000 2.238 877 M HA 0.386 4.866 4.480 0.001 0.000 0.347 877 M C 0.557 176.878 176.300 0.036 0.000 1.173 877 M CA -0.123 55.199 55.300 0.037 0.000 1.147 877 M CB 0.244 32.893 32.600 0.083 0.000 1.547 877 M HN -0.110 nan 8.290 nan 0.000 0.455 878 T N 1.049 115.629 114.554 0.044 0.000 2.906 878 T HA 0.029 4.380 4.350 0.001 0.000 0.320 878 T C 0.732 175.474 174.700 0.070 0.000 1.088 878 T CA 0.481 62.605 62.100 0.040 0.000 1.120 878 T CB 0.284 69.173 68.868 0.034 0.000 1.000 878 T HN 0.946 nan 8.240 nan 0.000 0.550 879 E N 0.658 120.888 120.200 0.050 0.000 2.106 879 E HA -0.136 4.215 4.350 0.001 0.000 0.192 879 E C 1.974 178.650 176.600 0.127 0.000 0.984 879 E CA 1.934 58.383 56.400 0.082 0.000 0.806 879 E CB -0.095 29.627 29.700 0.037 0.000 0.750 879 E HN 0.847 nan 8.360 nan 0.000 0.458 880 E N -0.360 119.881 120.200 0.068 0.000 2.058 880 E HA -0.237 4.113 4.350 0.001 0.000 0.194 880 E C 1.964 178.566 176.600 0.004 0.000 0.997 880 E CA 1.245 57.666 56.400 0.035 0.000 0.801 880 E CB -0.308 29.403 29.700 0.018 0.000 0.746 880 E HN 0.332 nan 8.360 nan 0.000 0.450 881 A N 0.798 123.628 122.820 0.017 0.000 1.873 881 A HA -0.236 4.084 4.320 0.001 0.000 0.218 881 A C 2.069 179.659 177.584 0.010 0.000 1.193 881 A CA 1.697 53.719 52.037 -0.026 0.000 0.629 881 A CB -1.144 17.877 19.000 0.035 0.000 0.826 881 A HN 0.541 nan 8.150 nan 0.000 0.447 882 F N 0.255 120.207 119.950 0.004 0.000 2.091 882 F HA -0.244 4.284 4.527 0.000 0.000 0.299 882 F C 2.382 178.190 175.800 0.014 0.000 1.103 882 F CA 2.430 60.463 58.000 0.055 0.000 1.228 882 F CB -0.262 38.758 39.000 0.034 0.000 0.984 882 F HN 0.241 nan 8.300 nan 0.000 0.477 883 Q N 0.617 120.412 119.800 -0.009 0.000 2.230 883 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 883 Q C 2.088 177.971 176.000 -0.194 0.000 0.963 883 Q CA 1.285 57.030 55.803 -0.097 0.000 0.866 883 Q CB -0.238 28.518 28.738 0.030 0.000 0.931 883 Q HN 0.394 nan 8.270 nan 0.000 0.452 884 K N -1.004 119.245 120.400 -0.253 0.000 2.097 884 K HA -0.139 4.182 4.320 0.001 0.000 0.205 884 K C 1.873 178.191 176.600 -0.470 0.000 1.050 884 K CA 1.076 57.118 56.287 -0.408 0.000 0.938 884 K CB -0.059 32.109 32.500 -0.553 0.000 0.718 884 K HN 0.364 nan 8.250 nan 0.000 0.442 885 H N 0.675 119.546 119.070 -0.332 0.000 2.326 885 H HA -0.032 4.524 4.556 0.001 0.000 0.301 885 H C 2.235 177.365 175.328 -0.329 0.000 1.081 885 H CA 1.144 56.992 56.048 -0.334 0.000 1.334 885 H CB -0.206 29.353 29.762 -0.338 0.000 1.385 885 H HN 0.133 nan 8.280 nan 0.000 0.504 886 I N 0.823 121.214 120.570 -0.298 0.000 2.145 886 I HA -0.345 3.826 4.170 0.001 0.000 0.244 886 I C 2.716 178.736 176.117 -0.162 0.000 1.075 886 I CA 1.742 62.890 61.300 -0.253 0.000 1.332 886 I CB -0.208 37.621 38.000 -0.285 0.000 1.033 886 I HN 0.210 nan 8.210 nan 0.000 0.410 887 Q N 1.065 120.763 119.800 -0.169 0.000 2.119 887 Q HA -0.123 4.217 4.340 0.001 0.000 0.201 887 Q C 2.071 177.995 176.000 -0.125 0.000 0.972 887 Q CA 2.024 57.751 55.803 -0.127 0.000 0.847 887 Q CB -0.252 28.408 28.738 -0.129 0.000 0.903 887 Q HN 0.481 nan 8.270 nan 0.000 0.433 888 A N 0.585 123.299 122.820 -0.177 0.000 1.877 888 A HA -0.152 4.168 4.320 0.001 0.000 0.216 888 A C 2.146 179.678 177.584 -0.086 0.000 1.186 888 A CA 1.382 53.326 52.037 -0.154 0.000 0.620 888 A CB -0.976 17.902 19.000 -0.204 0.000 0.822 888 A HN 0.500 nan 8.150 nan 0.000 0.443 889 L N -0.699 120.476 121.223 -0.079 0.000 1.989 889 L HA -0.257 4.083 4.340 0.001 0.000 0.211 889 L C 3.034 179.880 176.870 -0.039 0.000 1.071 889 L CA 1.580 56.387 54.840 -0.055 0.000 0.749 889 L CB -0.576 41.446 42.059 -0.063 0.000 0.890 889 L HN 0.472 nan 8.230 nan 0.000 0.431 890 A N 0.307 123.099 122.820 -0.047 0.000 1.869 890 A HA -0.298 4.022 4.320 0.001 0.000 0.218 890 A C 2.058 179.638 177.584 -0.008 0.000 1.203 890 A CA 2.325 54.346 52.037 -0.027 0.000 0.638 890 A CB -0.936 18.045 19.000 -0.033 0.000 0.831 890 A HN 0.470 nan 8.150 nan 0.000 0.450 891 I N -0.916 119.648 120.570 -0.009 0.000 2.208 891 I HA -0.300 3.870 4.170 0.001 0.000 0.245 891 I C 2.786 178.915 176.117 0.020 0.000 1.097 891 I CA 1.701 63.010 61.300 0.015 0.000 1.363 891 I CB -0.314 37.696 38.000 0.017 0.000 1.051 891 I HN 0.283 nan 8.210 nan 0.000 0.413 892 R N 0.072 120.575 120.500 0.005 0.000 2.091 892 R HA -0.124 4.216 4.340 0.001 0.000 0.238 892 R C 2.422 178.729 176.300 0.013 0.000 1.136 892 R CA 1.119 57.226 56.100 0.010 0.000 0.959 892 R CB -0.248 30.052 30.300 -0.000 0.000 0.856 892 R HN 0.261 nan 8.270 nan 0.000 0.437 893 R N 0.477 120.981 120.500 0.007 0.000 2.115 893 R HA -0.000 4.340 4.340 0.001 0.000 0.226 893 R C 2.085 178.395 176.300 0.018 0.000 1.100 893 R CA 0.974 57.079 56.100 0.008 0.000 0.980 893 R CB -0.296 30.004 30.300 0.001 0.000 0.875 893 R HN 0.292 nan 8.270 nan 0.000 0.445 894 L N 0.891 122.128 121.223 0.024 0.000 2.567 894 L HA 0.053 4.393 4.340 0.001 0.000 0.225 894 L C 0.327 177.222 176.870 0.040 0.000 1.119 894 L CA -0.268 54.593 54.840 0.034 0.000 0.871 894 L CB -0.213 41.867 42.059 0.036 0.000 1.036 894 L HN -0.016 nan 8.230 nan 0.000 0.459 895 D N 1.957 122.380 120.400 0.039 0.000 2.520 895 D HA -0.064 4.577 4.640 0.001 0.000 0.243 895 D C 0.163 176.488 176.300 0.041 0.000 1.160 895 D CA 0.419 54.446 54.000 0.044 0.000 0.877 895 D CB 0.649 41.475 40.800 0.043 0.000 1.150 895 D HN -0.251 nan 8.370 nan 0.000 0.494 896 K N 5.255 125.681 120.400 0.043 0.000 2.298 896 K HA 0.249 4.570 4.320 0.001 0.000 0.280 896 K C -2.137 174.501 176.600 0.063 0.000 1.032 896 K CA -1.866 54.450 56.287 0.049 0.000 0.958 896 K CB 0.483 33.007 32.500 0.039 0.000 0.978 896 K HN 0.443 nan 8.250 nan 0.000 0.472 897 P HA -0.018 nan 4.420 nan 0.000 0.262 897 P C 0.043 177.452 177.300 0.181 0.000 1.182 897 P CA 0.079 63.238 63.100 0.098 0.000 0.761 897 P CB 0.449 32.218 31.700 0.116 0.000 0.795 898 K N 2.189 122.616 120.400 0.046 0.000 2.361 898 K HA 0.063 4.383 4.320 0.001 0.000 0.194 898 K C 0.915 177.379 176.600 -0.228 0.000 1.032 898 K CA 0.842 57.159 56.287 0.050 0.000 1.048 898 K CB 0.141 32.620 32.500 -0.034 0.000 0.842 898 K HN 0.575 nan 8.250 nan 0.000 0.526 899 K N -0.551 119.506 120.400 -0.573 0.000 2.480 899 K HA 0.298 4.618 4.320 0.001 0.000 0.258 899 K C 0.567 176.448 176.600 -1.197 0.000 0.990 899 K CA -0.821 54.824 56.287 -1.069 0.000 0.857 899 K CB 1.416 33.596 32.500 -0.534 0.000 1.384 899 K HN -0.188 nan 8.250 nan 0.000 0.446 900 L N 1.612 122.150 121.223 -1.141 0.000 2.012 900 L HA -0.187 4.153 4.340 0.001 0.000 0.210 900 L C 2.347 179.041 176.870 -0.293 0.000 1.073 900 L CA 2.733 57.214 54.840 -0.598 0.000 0.748 900 L CB -0.580 41.223 42.059 -0.427 0.000 0.891 900 L HN 0.959 nan 8.230 nan 0.000 0.431 901 S N -0.907 114.624 115.700 -0.282 0.000 2.481 901 S HA 0.002 4.472 4.470 0.001 0.000 0.231 901 S C 2.008 176.539 174.600 -0.115 0.000 0.996 901 S CA 0.605 58.708 58.200 -0.162 0.000 0.942 901 S CB -0.549 62.557 63.200 -0.158 0.000 0.768 901 S HN 0.506 nan 8.310 nan 0.000 0.520 902 A N 1.364 124.095 122.820 -0.149 0.000 1.929 902 A HA 0.058 4.379 4.320 0.001 0.000 0.216 902 A C 2.171 179.701 177.584 -0.090 0.000 1.176 902 A CA 1.223 53.201 52.037 -0.100 0.000 0.628 902 A CB -0.656 18.284 19.000 -0.101 0.000 0.816 902 A HN 0.668 nan 8.150 nan 0.000 0.444 903 E N -0.420 119.736 120.200 -0.072 0.000 2.072 903 E HA -0.166 4.184 4.350 0.001 0.000 0.191 903 E C 1.963 178.359 176.600 -0.340 0.000 0.985 903 E CA 1.379 57.691 56.400 -0.147 0.000 0.801 903 E CB -0.197 29.582 29.700 0.132 0.000 0.750 903 E HN 0.642 nan 8.360 nan 0.000 0.452 904 C N 0.691 119.996 119.300 0.008 0.000 2.413 904 C HA -0.109 4.351 4.460 0.001 0.000 0.276 904 C C 2.872 177.924 174.990 0.103 0.000 1.236 904 C CA 0.910 60.008 59.018 0.133 0.000 1.735 904 C CB -1.187 26.654 27.740 0.168 0.000 2.031 904 C HN 0.572 nan 8.230 nan 0.000 0.474 905 A N 0.763 123.613 122.820 0.051 0.000 1.908 905 A HA -0.247 4.073 4.320 0.001 0.000 0.218 905 A C 2.135 179.771 177.584 0.087 0.000 1.181 905 A CA 2.007 54.106 52.037 0.103 0.000 0.627 905 A CB -0.520 18.503 19.000 0.039 0.000 0.818 905 A HN 0.712 nan 8.150 nan 0.000 0.445 906 K N -1.237 119.141 120.400 -0.036 0.000 2.020 906 K HA -0.195 4.125 4.320 0.001 0.000 0.212 906 K C 1.930 178.580 176.600 0.083 0.000 1.050 906 K CA 2.138 58.394 56.287 -0.052 0.000 0.929 906 K CB -0.480 31.916 32.500 -0.173 0.000 0.714 906 K HN 0.739 nan 8.250 nan 0.000 0.443 907 Y N -0.737 119.637 120.300 0.125 0.000 2.181 907 Y HA -0.268 4.282 4.550 0.001 0.000 0.288 907 Y C 2.415 178.446 175.900 0.219 0.000 1.146 907 Y CA 0.278 58.484 58.100 0.177 0.000 1.164 907 Y CB -0.256 38.197 38.460 -0.011 0.000 0.982 907 Y HN 0.339 nan 8.280 nan 0.000 0.515 908 W N 1.385 122.769 121.300 0.140 0.000 2.342 908 W HA -0.207 4.453 4.660 0.000 0.000 0.297 908 W C 2.122 178.628 176.519 -0.021 0.000 1.213 908 W CA 1.361 58.738 57.345 0.054 0.000 1.251 908 W CB -0.398 29.092 29.460 0.050 0.000 1.136 908 W HN 0.166 nan 8.180 nan 0.000 0.526 909 G N 0.384 109.192 108.800 0.013 0.000 2.421 909 G HA2 -0.295 3.665 3.960 0.001 0.000 0.216 909 G HA3 -0.295 3.665 3.960 0.001 0.000 0.216 909 G C 1.284 176.026 174.900 -0.263 0.000 1.171 909 G CA 1.019 46.036 45.100 -0.138 0.000 0.775 909 G HN 0.180 nan 8.290 nan 0.000 0.543 910 E N 0.466 120.525 120.200 -0.236 0.000 2.110 910 E HA -0.066 4.284 4.350 0.001 0.000 0.193 910 E C 2.572 178.743 176.600 -0.716 0.000 0.988 910 E CA 0.566 56.699 56.400 -0.445 0.000 0.804 910 E CB -0.198 29.204 29.700 -0.496 0.000 0.745 910 E HN 0.543 nan 8.360 nan 0.000 0.458 911 I N 0.396 120.611 120.570 -0.592 0.000 2.233 911 I HA -0.216 3.955 4.170 0.001 0.000 0.243 911 I C 2.130 177.836 176.117 -0.685 0.000 1.093 911 I CA 0.503 61.385 61.300 -0.698 0.000 1.380 911 I CB -0.107 37.635 38.000 -0.431 0.000 1.067 911 I HN 0.035 nan 8.210 nan 0.000 0.413 912 I N 0.727 120.846 120.570 -0.752 0.000 2.394 912 I HA -0.209 3.962 4.170 0.001 0.000 0.251 912 I C 2.677 178.569 176.117 -0.375 0.000 1.136 912 I CA 1.562 62.503 61.300 -0.599 0.000 1.425 912 I CB -0.910 36.611 38.000 -0.798 0.000 1.079 912 I HN 0.275 nan 8.210 nan 0.000 0.425 913 S N 0.020 115.473 115.700 -0.412 0.000 2.496 913 S HA -0.042 4.429 4.470 0.001 0.000 0.224 913 S C 0.814 175.185 174.600 -0.382 0.000 0.996 913 S CA -0.103 57.908 58.200 -0.315 0.000 0.927 913 S CB -0.193 62.841 63.200 -0.278 0.000 0.774 913 S HN 0.563 nan 8.310 nan 0.000 0.524 914 Q N -0.106 119.316 119.800 -0.629 0.000 2.481 914 Q HA -0.228 4.112 4.340 0.001 0.000 0.283 914 Q C 0.199 175.815 176.000 -0.641 0.000 1.292 914 Q CA 1.009 56.329 55.803 -0.804 0.000 0.819 914 Q CB -2.371 26.192 28.738 -0.292 0.000 1.202 914 Q HN 0.778 nan 8.270 nan 0.000 0.446 915 Q N -1.250 118.122 119.800 -0.713 0.000 2.353 915 Q HA 0.080 4.420 4.340 0.001 0.000 0.240 915 Q C -0.326 175.463 176.000 -0.352 0.000 0.868 915 Q CA 0.139 55.721 55.803 -0.369 0.000 0.944 915 Q CB 0.489 29.060 28.738 -0.277 0.000 1.104 915 Q HN 0.517 nan 8.270 nan 0.000 0.531 916 Y N 0.714 120.695 120.300 -0.531 0.000 3.396 916 Y HA -0.255 4.296 4.550 0.001 0.000 0.214 916 Y C 0.180 175.462 175.900 -1.029 0.000 1.203 916 Y CA 0.400 57.923 58.100 -0.962 0.000 1.401 916 Y CB -1.953 36.120 38.460 -0.645 0.000 1.409 916 Y HN 0.170 nan 8.280 nan 0.000 0.594 917 N N 0.761 119.026 118.700 -0.724 0.000 3.083 917 N HA 0.180 4.921 4.740 0.001 0.000 0.260 917 N C 0.367 175.493 175.510 -0.639 0.000 1.163 917 N CA -0.409 52.200 53.050 -0.735 0.000 1.060 917 N CB -0.362 37.811 38.487 -0.523 0.000 1.345 917 N HN 0.168 nan 8.380 nan 0.000 0.515 918 F N -0.147 119.511 119.950 -0.487 0.000 2.451 918 F HA 0.006 4.533 4.527 0.000 0.000 0.299 918 F C 1.676 176.952 175.800 -0.874 0.000 1.101 918 F CA 0.502 58.131 58.000 -0.618 0.000 1.436 918 F CB 0.010 38.530 39.000 -0.800 0.000 1.074 918 F HN 0.347 nan 8.300 nan 0.000 0.553 919 D N -0.594 119.469 120.400 -0.562 0.000 2.463 919 D HA 0.051 4.692 4.640 0.001 0.000 0.224 919 D C 2.090 178.279 176.300 -0.184 0.000 1.174 919 D CA -0.065 53.721 54.000 -0.358 0.000 0.829 919 D CB -0.086 40.619 40.800 -0.157 0.000 0.993 919 D HN 0.019 nan 8.370 nan 0.000 0.497 920 R N 0.341 120.710 120.500 -0.219 0.000 2.119 920 R HA -0.181 4.159 4.340 0.001 0.000 0.246 920 R C 0.788 177.045 176.300 -0.073 0.000 1.146 920 R CA 1.833 57.839 56.100 -0.157 0.000 0.962 920 R CB 0.014 30.215 30.300 -0.166 0.000 0.863 920 R HN 0.136 nan 8.270 nan 0.000 0.442 921 D N 0.047 120.423 120.400 -0.039 0.000 2.104 921 D HA -0.141 4.499 4.640 0.001 0.000 0.194 921 D C 1.621 177.930 176.300 0.014 0.000 0.994 921 D CA 1.624 55.623 54.000 -0.002 0.000 0.830 921 D CB -0.546 40.268 40.800 0.023 0.000 0.959 921 D HN 0.424 nan 8.370 nan 0.000 0.452 922 N N -0.231 118.488 118.700 0.031 0.000 2.084 922 N HA -0.114 4.626 4.740 0.001 0.000 0.190 922 N C 1.786 177.316 175.510 0.033 0.000 1.030 922 N CA 1.756 54.831 53.050 0.043 0.000 0.849 922 N CB -0.191 38.337 38.487 0.069 0.000 1.012 922 N HN 0.060 nan 8.380 nan 0.000 0.423 923 T N 0.800 115.365 114.554 0.018 0.000 2.674 923 T HA -0.121 4.229 4.350 0.001 0.000 0.265 923 T C 1.561 176.279 174.700 0.031 0.000 1.039 923 T CA 1.178 63.291 62.100 0.022 0.000 1.150 923 T CB -0.284 68.581 68.868 -0.006 0.000 0.864 923 T HN 0.304 nan 8.240 nan 0.000 0.427 924 E N 0.314 120.517 120.200 0.004 0.000 2.106 924 E HA -0.071 4.279 4.350 0.001 0.000 0.192 924 E C 2.387 179.018 176.600 0.051 0.000 0.984 924 E CA 0.804 57.211 56.400 0.012 0.000 0.806 924 E CB -0.149 29.534 29.700 -0.029 0.000 0.750 924 E HN 0.245 nan 8.360 nan 0.000 0.458 925 V N 1.359 121.291 119.914 0.029 0.000 2.358 925 V HA -0.240 3.880 4.120 0.001 0.000 0.246 925 V C 2.336 178.445 176.094 0.024 0.000 1.047 925 V CA 1.732 64.044 62.300 0.020 0.000 1.035 925 V CB -0.659 31.171 31.823 0.012 0.000 0.658 925 V HN 0.290 nan 8.190 nan 0.000 0.452 926 A N -0.741 122.103 122.820 0.040 0.000 1.908 926 A HA -0.290 4.030 4.320 0.001 0.000 0.218 926 A C 2.177 179.790 177.584 0.048 0.000 1.181 926 A CA 2.215 54.275 52.037 0.039 0.000 0.627 926 A CB -0.813 18.217 19.000 0.050 0.000 0.818 926 A HN 0.644 nan 8.150 nan 0.000 0.445 927 Y N 0.063 120.336 120.300 -0.045 0.000 2.181 927 Y HA -0.162 4.388 4.550 0.000 0.000 0.288 927 Y C 2.061 177.912 175.900 -0.081 0.000 1.146 927 Y CA 1.616 59.674 58.100 -0.069 0.000 1.164 927 Y CB -0.241 38.159 38.460 -0.100 0.000 0.982 927 Y HN 0.252 nan 8.280 nan 0.000 0.515 928 L N 0.692 121.908 121.223 -0.012 0.000 2.010 928 L HA -0.365 3.975 4.340 0.001 0.000 0.219 928 L C 2.092 178.881 176.870 -0.135 0.000 1.077 928 L CA 2.367 57.153 54.840 -0.089 0.000 0.773 928 L CB -0.517 41.520 42.059 -0.036 0.000 0.892 928 L HN 0.341 nan 8.230 nan 0.000 0.436 929 K N -1.335 119.008 120.400 -0.096 0.000 2.360 929 K HA -0.141 4.180 4.320 0.001 0.000 0.201 929 K C 1.778 178.331 176.600 -0.077 0.000 1.046 929 K CA 1.484 57.728 56.287 -0.071 0.000 0.945 929 K CB -0.134 32.341 32.500 -0.042 0.000 0.750 929 K HN 0.385 nan 8.250 nan 0.000 0.464 930 T N 1.028 115.483 114.554 -0.166 0.000 2.942 930 T HA -0.002 4.348 4.350 0.001 0.000 0.265 930 T C 0.373 174.985 174.700 -0.146 0.000 1.062 930 T CA 0.307 62.293 62.100 -0.191 0.000 1.139 930 T CB 0.043 68.689 68.868 -0.370 0.000 0.883 930 T HN -0.076 nan 8.240 nan 0.000 0.468 931 L N 2.948 124.079 121.223 -0.153 0.000 2.456 931 L HA 0.235 4.576 4.340 0.001 0.000 0.272 931 L C 1.103 178.105 176.870 0.220 0.000 1.189 931 L CA 0.329 55.175 54.840 0.010 0.000 0.846 931 L CB 0.369 42.455 42.059 0.044 0.000 1.111 931 L HN 0.243 nan 8.230 nan 0.000 0.475 932 T N -0.754 113.909 114.554 0.182 0.000 2.950 932 T HA 0.357 4.707 4.350 0.001 0.000 0.288 932 T C 0.943 175.509 174.700 -0.223 0.000 1.035 932 T CA -0.849 61.270 62.100 0.032 0.000 1.028 932 T CB 1.318 70.162 68.868 -0.039 0.000 1.109 932 T HN 0.547 nan 8.240 nan 0.000 0.514 933 K N 0.046 119.899 120.400 -0.912 0.000 2.147 933 K HA -0.136 4.185 4.320 0.001 0.000 0.205 933 K C 2.117 178.539 176.600 -0.295 0.000 1.049 933 K CA 1.412 57.115 56.287 -0.973 0.000 0.936 933 K CB -0.086 31.807 32.500 -1.011 0.000 0.722 933 K HN 0.831 nan 8.250 nan 0.000 0.446 934 E N 0.558 120.637 120.200 -0.203 0.000 2.077 934 E HA -0.210 4.140 4.350 0.001 0.000 0.193 934 E C 1.223 177.812 176.600 -0.019 0.000 0.989 934 E CA 1.428 57.777 56.400 -0.085 0.000 0.800 934 E CB 0.107 29.765 29.700 -0.071 0.000 0.746 934 E HN 0.281 nan 8.360 nan 0.000 0.452 935 D N 0.700 121.114 120.400 0.022 0.000 2.116 935 D HA -0.188 4.452 4.640 0.001 0.000 0.193 935 D C 1.911 178.246 176.300 0.059 0.000 0.998 935 D CA 0.900 54.949 54.000 0.081 0.000 0.836 935 D CB -0.148 40.801 40.800 0.248 0.000 0.951 935 D HN 0.261 nan 8.370 nan 0.000 0.449 936 I N 1.148 121.816 120.570 0.164 0.000 2.394 936 I HA -0.156 4.014 4.170 0.001 0.000 0.251 936 I C 2.380 178.640 176.117 0.238 0.000 1.136 936 I CA 0.555 62.019 61.300 0.274 0.000 1.425 936 I CB -0.722 37.524 38.000 0.410 0.000 1.079 936 I HN 0.051 nan 8.210 nan 0.000 0.425 937 I N 1.156 121.800 120.570 0.123 0.000 2.202 937 I HA -0.272 3.898 4.170 0.001 0.000 0.242 937 I C 2.916 179.083 176.117 0.082 0.000 1.091 937 I CA 1.618 62.978 61.300 0.101 0.000 1.368 937 I CB -1.360 36.656 38.000 0.028 0.000 1.058 937 I HN 0.195 nan 8.210 nan 0.000 0.410 938 K N 1.273 121.686 120.400 0.021 0.000 2.026 938 K HA -0.248 4.072 4.320 0.001 0.000 0.208 938 K C 1.994 178.547 176.600 -0.078 0.000 1.048 938 K CA 1.794 58.061 56.287 -0.033 0.000 0.929 938 K CB -1.690 30.783 32.500 -0.045 0.000 0.713 938 K HN 0.334 nan 8.250 nan 0.000 0.439 939 F N 0.279 120.064 119.950 -0.275 0.000 2.091 939 F HA -0.231 4.296 4.527 0.001 0.000 0.299 939 F C 2.281 177.908 175.800 -0.288 0.000 1.103 939 F CA 2.236 60.019 58.000 -0.363 0.000 1.228 939 F CB -0.564 38.103 39.000 -0.556 0.000 0.984 939 F HN 0.416 nan 8.300 nan 0.000 0.477 940 Y N 1.005 121.023 120.300 -0.470 0.000 2.181 940 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 940 Y C 2.360 177.976 175.900 -0.472 0.000 1.146 940 Y CA 2.196 59.914 58.100 -0.637 0.000 1.164 940 Y CB -0.481 37.758 38.460 -0.368 0.000 0.982 940 Y HN 0.059 nan 8.280 nan 0.000 0.515 941 K N -0.069 120.122 120.400 -0.347 0.000 2.103 941 K HA -0.183 4.138 4.320 0.001 0.000 0.204 941 K C 2.120 178.491 176.600 -0.382 0.000 1.052 941 K CA 1.466 57.545 56.287 -0.348 0.000 0.945 941 K CB -0.088 32.347 32.500 -0.109 0.000 0.722 941 K HN 0.449 nan 8.250 nan 0.000 0.443 942 E N -0.104 119.887 120.200 -0.350 0.000 2.072 942 E HA -0.133 4.217 4.350 0.001 0.000 0.190 942 E C 1.620 177.975 176.600 -0.408 0.000 0.982 942 E CA 1.081 57.295 56.400 -0.310 0.000 0.803 942 E CB 0.300 29.873 29.700 -0.210 0.000 0.755 942 E HN 0.081 nan 8.360 nan 0.000 0.453 943 M N -0.726 118.514 119.600 -0.600 0.000 2.653 943 M HA 0.182 4.662 4.480 0.001 0.000 0.259 943 M C 1.743 177.653 176.300 -0.649 0.000 1.244 943 M CA 0.605 55.528 55.300 -0.629 0.000 1.163 943 M CB 0.228 32.354 32.600 -0.790 0.000 1.309 943 M HN 0.161 nan 8.290 nan 0.000 0.509 944 L N -0.788 119.933 121.223 -0.837 0.000 2.653 944 L HA 0.433 4.773 4.340 0.001 0.000 0.230 944 L C 1.172 177.508 176.870 -0.889 0.000 1.055 944 L CA -0.210 54.123 54.840 -0.845 0.000 0.880 944 L CB -0.246 41.291 42.059 -0.871 0.000 1.195 944 L HN 0.040 nan 8.230 nan 0.000 0.492 945 A N 0.422 122.527 122.820 -1.191 0.000 2.507 945 A HA 0.079 4.399 4.320 0.001 0.000 0.235 945 A C 1.418 178.722 177.584 -0.467 0.000 1.070 945 A CA 0.327 51.811 52.037 -0.921 0.000 0.768 945 A CB 0.462 18.958 19.000 -0.840 0.000 1.011 945 A HN 0.022 nan 8.150 nan 0.000 0.502 946 V N 0.683 120.426 119.914 -0.285 0.000 2.453 946 V HA -0.187 3.933 4.120 0.001 0.000 0.252 946 V C 1.234 177.222 176.094 -0.177 0.000 1.068 946 V CA 2.871 65.051 62.300 -0.200 0.000 1.070 946 V CB -0.719 31.022 31.823 -0.138 0.000 0.664 946 V HN 1.031 nan 8.190 nan 0.000 0.461 947 D N -0.292 119.998 120.400 -0.183 0.000 2.559 947 D HA 0.348 4.988 4.640 0.001 0.000 0.234 947 D C 0.331 176.523 176.300 -0.180 0.000 1.226 947 D CA 0.334 54.245 54.000 -0.147 0.000 0.830 947 D CB -0.071 40.666 40.800 -0.105 0.000 1.028 947 D HN 0.474 nan 8.370 nan 0.000 0.492 948 A N 2.036 124.704 122.820 -0.254 0.000 2.520 948 A HA 0.330 4.650 4.320 0.001 0.000 0.245 948 A C -1.005 176.452 177.584 -0.212 0.000 1.072 948 A CA -0.841 51.024 52.037 -0.286 0.000 0.761 948 A CB 0.531 19.286 19.000 -0.410 0.000 1.004 948 A HN 0.106 nan 8.150 nan 0.000 0.499 949 P HA -0.095 nan 4.420 nan 0.000 0.223 949 P C 0.487 177.710 177.300 -0.130 0.000 1.151 949 P CA 1.145 64.172 63.100 -0.122 0.000 0.787 949 P CB 0.208 31.852 31.700 -0.093 0.000 0.788 950 R N -0.345 120.026 120.500 -0.215 0.000 2.700 950 R HA 0.247 4.588 4.340 0.001 0.000 0.377 950 R C 0.666 176.550 176.300 -0.694 0.000 1.130 950 R CA -0.494 55.421 56.100 -0.308 0.000 1.055 950 R CB 0.370 30.558 30.300 -0.185 0.000 1.387 950 R HN 0.114 nan 8.270 nan 0.000 0.580 951 R N 1.268 121.499 120.500 -0.448 0.000 2.491 951 R HA 0.069 4.410 4.340 0.001 0.000 0.283 951 R C -0.882 175.228 176.300 -0.318 0.000 1.072 951 R CA 0.239 56.107 56.100 -0.388 0.000 1.048 951 R CB 0.391 30.562 30.300 -0.214 0.000 0.983 951 R HN 0.309 nan 8.270 nan 0.000 0.450 952 H N 3.064 122.169 119.070 0.059 0.000 3.036 952 H HA 0.223 4.779 4.556 0.000 0.000 0.295 952 H C -0.942 174.445 175.328 0.098 0.000 1.124 952 H CA -0.759 55.350 56.048 0.103 0.000 1.507 952 H CB 1.286 31.093 29.762 0.075 0.000 1.591 952 H HN 0.306 nan 8.280 nan 0.000 0.510 953 K N 3.187 123.753 120.400 0.276 0.000 2.323 953 K HA 0.592 4.912 4.320 0.001 0.000 0.259 953 K C -1.350 175.515 176.600 0.441 0.000 0.947 953 K CA -0.749 55.644 56.287 0.177 0.000 0.819 953 K CB 1.491 33.983 32.500 -0.013 0.000 1.109 953 K HN 0.288 nan 8.250 nan 0.000 0.429 954 V N 2.390 122.509 119.914 0.340 0.000 2.656 954 V HA 0.419 4.540 4.120 0.001 0.000 0.307 954 V C -0.836 175.471 176.094 0.355 0.000 1.051 954 V CA -0.842 61.712 62.300 0.423 0.000 0.893 954 V CB 2.031 34.066 31.823 0.354 0.000 0.999 954 V HN 0.819 nan 8.190 nan 0.000 0.426 955 S N 2.651 118.570 115.700 0.365 0.000 2.500 955 S HA 0.704 5.174 4.470 0.001 0.000 0.301 955 S C -0.584 174.148 174.600 0.220 0.000 1.092 955 S CA -0.630 57.779 58.200 0.349 0.000 1.030 955 S CB 1.979 65.499 63.200 0.534 0.000 1.031 955 S HN 0.460 nan 8.310 nan 0.000 0.483 956 V N 4.040 124.142 119.914 0.313 0.000 2.370 956 V HA 0.383 4.503 4.120 0.001 0.000 0.283 956 V C -0.928 175.450 176.094 0.472 0.000 1.023 956 V CA -0.626 61.871 62.300 0.329 0.000 0.857 956 V CB 0.862 32.911 31.823 0.377 0.000 0.985 956 V HN 0.787 nan 8.190 nan 0.000 0.443 957 H N 3.178 122.337 119.070 0.149 0.000 2.551 957 H HA 0.563 5.119 4.556 0.000 0.000 0.321 957 H C -0.529 174.860 175.328 0.101 0.000 1.028 957 H CA -0.786 55.333 56.048 0.119 0.000 1.215 957 H CB 1.731 31.537 29.762 0.072 0.000 1.414 957 H HN 0.367 nan 8.280 nan 0.000 0.480 958 V N 5.992 126.056 119.914 0.249 0.000 2.313 958 V HA 0.190 4.310 4.120 0.001 0.000 0.278 958 V C 0.369 176.552 176.094 0.148 0.000 1.017 958 V CA -0.653 61.782 62.300 0.225 0.000 0.823 958 V CB 0.759 32.770 31.823 0.312 0.000 1.010 958 V HN 0.578 nan 8.190 nan 0.000 0.443 959 L N 3.902 125.196 121.223 0.117 0.000 2.426 959 L HA 0.487 4.827 4.340 0.001 0.000 0.271 959 L C 1.149 178.067 176.870 0.080 0.000 1.169 959 L CA -0.013 54.877 54.840 0.083 0.000 0.836 959 L CB 0.650 42.749 42.059 0.067 0.000 1.112 959 L HN 0.721 nan 8.230 nan 0.000 0.465 960 A N 3.207 126.062 122.820 0.060 0.000 2.492 960 A HA 0.057 4.377 4.320 0.001 0.000 0.236 960 A C 1.448 179.062 177.584 0.051 0.000 1.078 960 A CA -0.022 52.048 52.037 0.055 0.000 0.773 960 A CB 0.125 19.148 19.000 0.038 0.000 1.023 960 A HN 0.954 nan 8.150 nan 0.000 0.504 961 R N -0.164 120.365 120.500 0.048 0.000 2.119 961 R HA -0.169 4.171 4.340 0.001 0.000 0.246 961 R C 0.669 176.984 176.300 0.026 0.000 1.146 961 R CA 2.094 58.216 56.100 0.036 0.000 0.962 961 R CB 0.003 30.314 30.300 0.019 0.000 0.863 961 R HN 0.829 nan 8.270 nan 0.000 0.442 962 E N -0.293 119.919 120.200 0.020 0.000 2.476 962 E HA 0.028 4.379 4.350 0.001 0.000 0.199 962 E C 0.885 177.495 176.600 0.018 0.000 1.021 962 E CA -0.143 56.266 56.400 0.014 0.000 0.907 962 E CB 0.112 29.816 29.700 0.006 0.000 0.974 962 E HN 0.364 nan 8.360 nan 0.000 0.489 966 C N 2.801 122.126 119.300 0.041 0.000 3.213 966 C HA 0.505 4.966 4.460 0.001 0.000 0.424 966 C C -2.831 172.198 174.990 0.065 0.000 0.995 966 C CA -1.034 58.029 59.018 0.075 0.000 1.109 966 C CB 0.361 28.171 27.740 0.116 0.000 1.526 966 C HN 0.719 nan 8.230 nan 0.000 0.616 967 P HA 0.023 nan 4.420 nan 0.000 0.263 967 P C 0.626 177.957 177.300 0.052 0.000 1.162 967 P CA 0.560 63.642 63.100 -0.029 0.000 0.758 967 P CB 0.322 31.907 31.700 -0.193 0.000 0.773 968 V N 2.141 122.075 119.914 0.033 0.000 2.825 968 V HA 0.028 4.148 4.120 0.001 0.000 0.246 968 V C 0.734 176.924 176.094 0.160 0.000 1.068 968 V CA 0.921 63.285 62.300 0.106 0.000 1.088 968 V CB -0.311 31.482 31.823 -0.051 0.000 0.733 968 V HN 0.307 nan 8.190 nan 0.000 0.468 969 V N -0.772 119.179 119.914 0.061 0.000 2.975 969 V HA 1.008 5.128 4.120 0.001 0.000 0.318 969 V C 0.502 176.571 176.094 -0.043 0.000 1.077 969 V CA 0.093 62.466 62.300 0.121 0.000 1.000 969 V CB 0.688 32.582 31.823 0.118 0.000 1.066 969 V HN 0.474 nan 8.190 nan 0.000 0.452 980 L N 1.381 122.626 121.223 0.037 0.000 2.305 980 L HA 0.533 4.873 4.340 0.001 0.000 0.261 980 L C 0.590 177.480 176.870 0.033 0.000 1.100 980 L CA -0.750 54.111 54.840 0.035 0.000 1.073 980 L CB 1.265 43.346 42.059 0.038 0.000 1.656 980 L HN 0.233 nan 8.230 nan 0.000 0.536 981 S N 0.100 115.818 115.700 0.030 0.000 2.573 981 S HA 0.096 4.566 4.470 0.001 0.000 0.277 981 S C -0.412 174.195 174.600 0.012 0.000 1.346 981 S CA -0.301 57.910 58.200 0.019 0.000 1.034 981 S CB 0.773 63.985 63.200 0.019 0.000 0.879 981 S HN 0.458 nan 8.310 nan 0.000 0.528 982 Q N 2.188 121.990 119.800 0.003 0.000 2.296 982 Q HA 0.601 4.942 4.340 0.001 0.000 0.257 982 Q C -0.372 175.622 176.000 -0.010 0.000 0.942 982 Q CA -0.378 55.426 55.803 0.002 0.000 0.939 982 Q CB 0.957 29.695 28.738 0.001 0.000 1.198 982 Q HN 0.945 nan 8.270 nan 0.000 0.429 983 A N 5.975 128.789 122.820 -0.011 0.000 2.354 983 A HA 0.614 4.934 4.320 0.001 0.000 0.269 983 A C -2.133 175.441 177.584 -0.017 0.000 1.109 983 A CA -1.261 50.761 52.037 -0.025 0.000 0.800 983 A CB -0.165 18.814 19.000 -0.036 0.000 1.045 983 A HN 0.842 nan 8.150 nan 0.000 0.489 984 P HA 0.413 nan 4.420 nan 0.000 0.276 984 P C -0.384 176.905 177.300 -0.018 0.000 1.252 984 P CA -0.227 62.857 63.100 -0.027 0.000 0.802 984 P CB 0.985 32.659 31.700 -0.044 0.000 1.035 985 A N 2.172 124.986 122.820 -0.010 0.000 2.401 985 A HA 0.491 4.812 4.320 0.001 0.000 0.259 985 A C 0.121 177.705 177.584 0.000 0.000 1.103 985 A CA -0.398 51.643 52.037 0.007 0.000 0.789 985 A CB -0.460 18.546 19.000 0.010 0.000 1.035 985 A HN 0.494 nan 8.150 nan 0.000 0.491 986 L N 3.416 124.657 121.223 0.030 0.000 2.330 986 L HA 0.516 4.856 4.340 0.001 0.000 0.271 986 L C -1.653 175.296 176.870 0.130 0.000 1.013 986 L CA -1.957 52.904 54.840 0.035 0.000 0.816 986 L CB 1.437 43.503 42.059 0.011 0.000 1.287 986 L HN 0.614 nan 8.230 nan 0.000 0.435 987 P HA 0.064 nan 4.420 nan 0.000 0.274 987 P C -1.095 176.382 177.300 0.294 0.000 1.260 987 P CA -0.586 62.632 63.100 0.197 0.000 0.793 987 P CB 0.598 32.400 31.700 0.169 0.000 1.048 988 Q N 1.385 121.267 119.800 0.136 0.000 2.286 988 Q HA 0.225 4.566 4.340 0.001 0.000 0.267 988 Q C -2.017 173.952 176.000 -0.052 0.000 1.028 988 Q CA -1.419 54.405 55.803 0.035 0.000 0.901 988 Q CB -0.088 28.643 28.738 -0.012 0.000 1.183 988 Q HN 0.273 nan 8.270 nan 0.000 0.392 989 P HA 0.084 nan 4.420 nan 0.000 0.276 989 P C -1.052 175.995 177.300 -0.422 0.000 1.244 989 P CA -0.391 62.324 63.100 -0.642 0.000 0.801 989 P CB 0.802 31.633 31.700 -1.449 0.000 1.006 990 E N 1.091 121.032 120.200 -0.432 0.000 2.180 990 E HA 0.224 4.574 4.350 0.001 0.000 0.283 990 E C -0.736 175.766 176.600 -0.162 0.000 1.061 990 E CA -0.648 55.597 56.400 -0.257 0.000 0.861 990 E CB 0.538 30.081 29.700 -0.261 0.000 1.056 990 E HN 0.110 nan 8.360 nan 0.000 0.407 991 V N 7.099 126.938 119.914 -0.124 0.000 2.427 991 V HA 0.087 4.207 4.120 0.001 0.000 0.268 991 V C 0.534 176.635 176.094 0.012 0.000 1.046 991 V CA -0.161 62.079 62.300 -0.100 0.000 0.970 991 V CB 0.404 32.157 31.823 -0.117 0.000 1.001 991 V HN 0.660 nan 8.190 nan 0.000 0.476 992 I N 4.741 125.335 120.570 0.039 0.000 2.587 992 I HA 0.012 4.182 4.170 0.001 0.000 0.284 992 I C 1.146 177.318 176.117 0.091 0.000 1.134 992 I CA 0.370 61.710 61.300 0.067 0.000 1.410 992 I CB 0.602 38.546 38.000 -0.094 0.000 1.392 992 I HN 0.637 nan 8.210 nan 0.000 0.545 993 Q N 3.993 123.843 119.800 0.083 0.000 2.396 993 Q HA 0.178 4.518 4.340 0.001 0.000 0.220 993 Q C -0.038 176.016 176.000 0.090 0.000 0.900 993 Q CA 0.617 56.461 55.803 0.068 0.000 0.925 993 Q CB 0.513 29.278 28.738 0.046 0.000 1.065 993 Q HN 0.645 nan 8.270 nan 0.000 0.535 994 N N -0.660 118.089 118.700 0.081 0.000 2.503 994 N HA 0.121 4.861 4.740 0.001 0.000 0.287 994 N C -0.014 175.512 175.510 0.027 0.000 1.096 994 N CA 0.070 53.155 53.050 0.058 0.000 0.936 994 N CB 0.954 39.474 38.487 0.055 0.000 1.570 994 N HN 0.047 nan 8.380 nan 0.000 0.504 995 M N 0.962 120.531 119.600 -0.051 0.000 2.159 995 M HA -0.106 4.374 4.480 0.001 0.000 0.263 995 M C 1.517 177.838 176.300 0.034 0.000 1.063 995 M CA 1.627 56.874 55.300 -0.089 0.000 1.110 995 M CB -0.361 32.112 32.600 -0.212 0.000 1.374 995 M HN 0.501 nan 8.290 nan 0.000 0.411 996 T N 0.292 114.854 114.554 0.013 0.000 2.674 996 T HA -0.156 4.195 4.350 0.001 0.000 0.265 996 T C 1.611 176.326 174.700 0.024 0.000 1.039 996 T CA 1.519 63.626 62.100 0.011 0.000 1.150 996 T CB -0.371 68.507 68.868 0.016 0.000 0.864 996 T HN 0.460 nan 8.240 nan 0.000 0.427 997 E N 0.289 120.516 120.200 0.045 0.000 2.097 997 E HA -0.146 4.205 4.350 0.001 0.000 0.196 997 E C 1.853 178.486 176.600 0.055 0.000 1.000 997 E CA 1.196 57.624 56.400 0.046 0.000 0.804 997 E CB -0.323 29.414 29.700 0.062 0.000 0.740 997 E HN 0.515 nan 8.360 nan 0.000 0.454 998 F N 1.940 121.844 119.950 -0.077 0.000 2.102 998 F HA -0.206 4.322 4.527 0.001 0.000 0.298 998 F C 1.928 177.635 175.800 -0.155 0.000 1.105 998 F CA 1.593 59.518 58.000 -0.125 0.000 1.239 998 F CB 0.036 38.936 39.000 -0.166 0.000 0.991 998 F HN -0.203 nan 8.300 nan 0.000 0.474 999 K N 0.079 120.388 120.400 -0.152 0.000 2.057 999 K HA -0.139 4.182 4.320 0.001 0.000 0.206 999 K C 2.234 178.685 176.600 -0.249 0.000 1.050 999 K CA 1.483 57.598 56.287 -0.286 0.000 0.935 999 K CB -0.308 32.130 32.500 -0.104 0.000 0.715 999 K HN 0.283 nan 8.250 nan 0.000 0.439 1000 R N 0.089 120.504 120.500 -0.143 0.000 2.105 1000 R HA -0.117 4.223 4.340 0.001 0.000 0.239 1000 R C 2.319 178.542 176.300 -0.128 0.000 1.135 1000 R CA 1.439 57.475 56.100 -0.106 0.000 0.967 1000 R CB -0.468 29.800 30.300 -0.054 0.000 0.861 1000 R HN 0.301 nan 8.270 nan 0.000 0.442 1001 G N 0.332 109.039 108.800 -0.156 0.000 2.776 1001 G HA2 0.039 3.999 3.960 0.001 0.000 0.209 1001 G HA3 0.039 3.999 3.960 0.001 0.000 0.209 1001 G C 0.510 175.290 174.900 -0.200 0.000 1.145 1001 G CA 0.143 45.158 45.100 -0.141 0.000 0.791 1001 G HN 0.021 nan 8.290 nan 0.000 0.530 1002 L N 0.160 121.206 121.223 -0.295 0.000 2.323 1002 L HA 0.437 4.777 4.340 0.001 0.000 0.265 1002 L C -2.072 174.656 176.870 -0.237 0.000 1.012 1002 L CA -2.291 52.365 54.840 -0.307 0.000 0.820 1002 L CB 2.332 44.082 42.059 -0.516 0.000 1.334 1002 L HN -0.141 nan 8.230 nan 0.000 0.427 1003 P HA 0.325 nan 4.420 nan 0.000 0.277 1003 P C -1.216 175.960 177.300 -0.206 0.000 1.276 1003 P CA -0.356 62.626 63.100 -0.197 0.000 0.788 1003 P CB 0.700 32.273 31.700 -0.212 0.000 1.114 1004 L N -0.358 120.771 121.223 -0.156 0.000 2.362 1004 L HA 0.430 4.770 4.340 0.001 0.000 0.271 1004 L C 0.369 177.188 176.870 -0.085 0.000 1.002 1004 L CA -0.985 53.804 54.840 -0.084 0.000 0.818 1004 L CB 1.015 43.065 42.059 -0.016 0.000 1.298 1004 L HN 0.237 nan 8.230 nan 0.000 0.420 1005 F N 2.578 122.511 119.950 -0.029 0.000 2.539 1005 F HA 0.111 4.638 4.527 0.000 0.000 0.340 1005 F C -1.470 174.323 175.800 -0.011 0.000 1.185 1005 F CA -0.570 57.419 58.000 -0.018 0.000 1.333 1005 F CB 0.078 39.076 39.000 -0.002 0.000 1.152 1005 F HN 0.282 nan 8.300 nan 0.000 0.602 1006 P HA 0.063 nan 4.420 nan 0.000 0.274 1006 P C -0.919 176.446 177.300 0.109 0.000 1.260 1006 P CA -0.360 62.813 63.100 0.122 0.000 0.793 1006 P CB 0.438 32.196 31.700 0.096 0.000 1.048 1007 L N 0.409 121.659 121.223 0.045 0.000 2.375 1007 L HA 0.211 4.552 4.340 0.001 0.000 0.271 1007 L C 0.282 177.147 176.870 -0.009 0.000 1.107 1007 L CA -0.679 54.165 54.840 0.007 0.000 0.806 1007 L CB 0.401 42.445 42.059 -0.025 0.000 1.146 1007 L HN 0.091 nan 8.230 nan 0.000 0.447 1008 V N 3.036 122.930 119.914 -0.034 0.000 2.740 1008 V HA 0.065 4.185 4.120 0.001 0.000 0.303 1008 V C 0.754 176.824 176.094 -0.040 0.000 1.054 1008 V CA -0.608 61.666 62.300 -0.043 0.000 1.106 1008 V CB 0.227 32.008 31.823 -0.071 0.000 0.957 1008 V HN 0.611 nan 8.190 nan 0.000 0.486 1009 K N 4.620 125.001 120.400 -0.031 0.000 2.249 1009 K HA 0.335 4.655 4.320 0.001 0.000 0.280 1009 K C -2.257 174.338 176.600 -0.008 0.000 1.033 1009 K CA -1.339 54.935 56.287 -0.021 0.000 0.946 1009 K CB 0.531 33.016 32.500 -0.026 0.000 1.005 1009 K HN 0.452 nan 8.250 nan 0.000 0.469 1010 P HA -0.083 nan 4.420 nan 0.000 0.270 1010 P C -0.146 177.206 177.300 0.088 0.000 1.227 1010 P CA 0.085 63.263 63.100 0.130 0.000 0.788 1010 P CB 0.427 32.240 31.700 0.187 0.000 0.926 1011 H N 0.000 119.087 119.070 0.029 0.000 2.539 1011 H HA 0.000 4.556 4.556 0.000 0.000 0.296 1011 H CA 0.000 56.029 56.048 -0.031 0.000 1.023 1011 H CB 0.000 29.708 29.762 -0.090 0.000 1.292 1011 H HN 0.000 nan 8.280 nan 0.000 0.496