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 2hld_1_B DATA FIRST_RESID 25 DATA SEQUENCE ANLNETGRVL AVGDGIARVF GLNNIQAEEL VEFSSGVKGM ALNLEPGQVG DATA SEQUENCE IVLFGSDRLV KEGELVKRTG NIVDVPVGPG LLGRVVDALG NPIDGKGPID DATA SEQUENCE AAGRSRAQVK APGILPRRSV HEPVQTGLKA VDALVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTAVALDT ILNQKRWNNG SDESKKLYCV YVAVGQKRST VAQLVQTLEQ DATA SEQUENCE HDAMKYSIIV AATASEAAPL QYLAPFTAAS IGEWFRDNGK HALIVYDDLS DATA SEQUENCE KQAVAYRQLS LLLRRPPGRE AYPGDVFYLH SRLLERAAKL SEKEGSGSLT DATA SEQUENCE ALPVIETQGG DVSAYIPTNV ISITDGQIFL EAELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQVKA LKQVAGSLKL FLAQYREVAA FAQXXSDLDA STKQTLVRGE DATA SEQUENCE RLTQLLKQNQ YSPLATEEQV PLIYAGVNGH LDGIELSRIG EFESSFLSYL DATA SEQUENCE KSNHNELLTE IREKGELSKE LLASLKSATE SFVAT 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.592 177.584 0.014 0.000 1.274 25 A CA 0.000 52.049 52.037 0.020 0.000 0.836 25 A CB 0.000 19.018 19.000 0.030 0.000 0.831 26 N N 1.448 120.149 118.700 0.003 0.000 2.394 26 N HA 0.030 4.762 4.740 -0.013 0.000 0.282 26 N C 0.584 176.085 175.510 -0.014 0.000 1.351 26 N CA 0.468 53.513 53.050 -0.008 0.000 0.936 26 N CB 0.311 38.790 38.487 -0.013 0.000 1.274 26 N HN 0.631 nan 8.380 nan 0.000 0.489 27 L N 2.083 123.293 121.223 -0.022 0.000 2.728 27 L HA 0.139 4.471 4.340 -0.013 0.000 0.235 27 L C 0.870 177.687 176.870 -0.088 0.000 1.197 27 L CA -0.042 54.764 54.840 -0.057 0.000 0.992 27 L CB -0.030 41.990 42.059 -0.065 0.000 1.263 27 L HN 0.314 nan 8.230 nan 0.000 0.484 28 N N -0.545 118.119 118.700 -0.061 0.000 2.463 28 N HA -0.003 4.729 4.740 -0.013 0.000 0.183 28 N C 1.260 176.737 175.510 -0.055 0.000 1.064 28 N CA 0.521 53.533 53.050 -0.063 0.000 0.879 28 N CB 0.550 39.009 38.487 -0.047 0.000 1.148 28 N HN 0.142 nan 8.380 nan 0.000 0.451 29 E N 0.153 120.326 120.200 -0.045 0.000 2.476 29 E HA 0.228 4.570 4.350 -0.013 0.000 0.196 29 E C -0.302 176.269 176.600 -0.048 0.000 1.029 29 E CA 0.193 56.567 56.400 -0.042 0.000 0.896 29 E CB 0.947 30.628 29.700 -0.031 0.000 1.012 29 E HN 0.062 nan 8.360 nan 0.000 0.475 30 T N -0.758 113.765 114.554 -0.051 0.000 2.853 30 T HA 0.622 4.964 4.350 -0.013 0.000 0.311 30 T C -0.536 174.137 174.700 -0.045 0.000 1.307 30 T CA -0.630 61.443 62.100 -0.046 0.000 1.019 30 T CB 2.271 71.126 68.868 -0.023 0.000 1.264 30 T HN 0.102 nan 8.240 nan 0.000 0.497 31 G N 1.041 109.823 108.800 -0.031 0.000 2.619 31 G HA2 0.705 4.657 3.960 -0.013 0.000 0.296 31 G HA3 0.705 4.657 3.960 -0.013 0.000 0.296 31 G C -1.517 173.421 174.900 0.062 0.000 1.334 31 G CA -0.740 44.361 45.100 0.001 0.000 0.934 31 G HN 0.526 nan 8.290 nan 0.000 0.476 32 R N 0.713 121.295 120.500 0.137 0.000 2.387 32 R HA 0.384 4.716 4.340 -0.013 0.000 0.314 32 R C -0.485 175.909 176.300 0.158 0.000 0.958 32 R CA -0.664 55.524 56.100 0.146 0.000 0.846 32 R CB 2.211 32.605 30.300 0.158 0.000 1.147 32 R HN 0.338 nan 8.270 nan 0.000 0.447 33 V N 5.514 125.516 119.914 0.146 0.000 2.540 33 V HA -0.061 4.051 4.120 -0.013 0.000 0.297 33 V C 1.770 177.922 176.094 0.097 0.000 1.024 33 V CA 0.576 62.963 62.300 0.146 0.000 1.105 33 V CB 0.391 32.305 31.823 0.152 0.000 0.938 33 V HN 0.748 nan 8.190 nan 0.000 0.482 34 L N 3.910 125.188 121.223 0.093 0.000 2.253 34 L HA 0.447 4.779 4.340 -0.013 0.000 0.205 34 L C 0.877 177.765 176.870 0.030 0.000 1.078 34 L CA 1.023 55.896 54.840 0.054 0.000 0.805 34 L CB 0.193 42.292 42.059 0.068 0.000 0.963 34 L HN 0.811 nan 8.230 nan 0.000 0.459 35 A N -0.707 122.134 122.820 0.035 0.000 2.582 35 A HA 0.551 4.864 4.320 -0.013 0.000 0.297 35 A C -1.765 175.823 177.584 0.006 0.000 1.059 35 A CA -0.360 51.684 52.037 0.013 0.000 0.705 35 A CB 1.574 20.578 19.000 0.008 0.000 1.279 35 A HN -0.204 nan 8.150 nan 0.000 0.404 36 V N 0.891 120.795 119.914 -0.015 0.000 2.709 36 V HA 0.990 5.102 4.120 -0.013 0.000 0.308 36 V C -0.142 175.926 176.094 -0.043 0.000 1.062 36 V CA 0.704 62.980 62.300 -0.040 0.000 0.901 36 V CB 1.919 33.699 31.823 -0.072 0.000 1.003 36 V HN 2.492 nan 8.190 nan 0.000 0.425 37 G N 3.572 112.343 108.800 -0.049 0.000 2.387 37 G HA2 0.486 4.439 3.960 -0.013 0.000 0.309 37 G HA3 0.486 4.439 3.960 -0.013 0.000 0.309 37 G C -0.799 174.073 174.900 -0.046 0.000 1.641 37 G CA 0.079 45.153 45.100 -0.042 0.000 0.904 37 G HN 1.017 nan 8.290 nan 0.000 0.661 38 D N -0.056 120.317 120.400 -0.045 0.000 2.870 38 D HA -0.112 4.521 4.640 -0.013 0.000 0.228 38 D C 1.726 177.994 176.300 -0.055 0.000 1.147 38 D CA 3.087 57.059 54.000 -0.045 0.000 0.757 38 D CB -1.153 39.621 40.800 -0.043 0.000 1.091 38 D HN 2.251 nan 8.370 nan 0.000 0.429 39 G N -1.371 107.391 108.800 -0.063 0.000 2.148 39 G HA2 -0.294 3.659 3.960 -0.013 0.000 0.254 39 G HA3 -0.294 3.659 3.960 -0.013 0.000 0.254 39 G C 0.176 175.023 174.900 -0.087 0.000 0.981 39 G CA 0.392 45.446 45.100 -0.076 0.000 0.670 39 G HN 0.486 nan 8.290 nan 0.000 0.528 40 I N 0.632 121.159 120.570 -0.072 0.000 2.441 40 I HA 0.747 4.909 4.170 -0.013 0.000 0.295 40 I C 0.447 176.537 176.117 -0.045 0.000 0.994 40 I CA -1.342 59.924 61.300 -0.057 0.000 1.144 40 I CB 1.382 39.356 38.000 -0.043 0.000 1.314 40 I HN 0.358 nan 8.210 nan 0.000 0.445 41 A N 6.880 129.692 122.820 -0.012 0.000 2.303 41 A HA 0.690 5.002 4.320 -0.013 0.000 0.320 41 A C -0.107 177.522 177.584 0.076 0.000 1.192 41 A CA -0.735 51.318 52.037 0.027 0.000 0.821 41 A CB 0.760 19.790 19.000 0.049 0.000 1.188 41 A HN 0.697 nan 8.150 nan 0.000 0.492 42 R N 1.464 122.001 120.500 0.063 0.000 2.221 42 R HA 0.518 4.850 4.340 -0.013 0.000 0.327 42 R C -1.035 175.329 176.300 0.106 0.000 1.033 42 R CA -0.200 55.943 56.100 0.071 0.000 0.887 42 R CB 1.343 31.674 30.300 0.051 0.000 1.057 42 R HN 0.467 nan 8.270 nan 0.000 0.455 43 V N 4.432 124.413 119.914 0.112 0.000 2.604 43 V HA 0.351 4.463 4.120 -0.013 0.000 0.305 43 V C -0.676 175.510 176.094 0.153 0.000 1.043 43 V CA -0.913 61.467 62.300 0.133 0.000 0.888 43 V CB 1.703 33.585 31.823 0.098 0.000 0.995 43 V HN 0.541 nan 8.190 nan 0.000 0.429 44 F N 3.582 123.543 119.950 0.019 0.000 2.394 44 F HA 0.770 5.290 4.527 -0.013 0.000 0.340 44 F C 0.826 176.627 175.800 0.002 0.000 1.105 44 F CA 1.274 59.280 58.000 0.009 0.000 1.124 44 F CB 1.120 40.126 39.000 0.010 0.000 1.145 44 F HN 0.935 nan 8.300 nan 0.000 0.505 45 G N 4.242 112.622 108.800 -0.700 0.000 2.503 45 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.235 45 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.235 45 G C 0.016 174.772 174.900 -0.241 0.000 1.179 45 G CA -0.427 44.378 45.100 -0.491 0.000 0.944 45 G HN 1.416 nan 8.290 nan 0.000 0.580 46 L N -0.098 121.032 121.223 -0.154 0.000 3.677 46 L HA -0.190 4.142 4.340 -0.013 0.000 0.464 46 L C 1.386 178.192 176.870 -0.106 0.000 1.278 46 L CA 0.534 55.309 54.840 -0.109 0.000 0.806 46 L CB -1.225 40.779 42.059 -0.091 0.000 1.610 46 L HN 0.645 nan 8.230 nan 0.000 0.867 47 N N 0.076 118.707 118.700 -0.115 0.000 2.409 47 N HA -0.024 4.709 4.740 -0.013 0.000 0.179 47 N C 1.160 176.629 175.510 -0.069 0.000 1.032 47 N CA 0.848 53.836 53.050 -0.104 0.000 0.898 47 N CB 0.067 38.486 38.487 -0.113 0.000 0.971 47 N HN 0.541 nan 8.380 nan 0.000 0.441 48 N N 0.707 119.372 118.700 -0.059 0.000 2.270 48 N HA 0.141 4.873 4.740 -0.013 0.000 0.198 48 N C 0.255 175.743 175.510 -0.037 0.000 1.117 48 N CA -0.119 52.905 53.050 -0.043 0.000 0.845 48 N CB 0.855 39.320 38.487 -0.037 0.000 0.980 48 N HN 0.282 nan 8.380 nan 0.000 0.486 49 I N 1.280 121.824 120.570 -0.043 0.000 2.634 49 I HA -0.058 4.105 4.170 -0.013 0.000 0.284 49 I C 0.157 176.259 176.117 -0.024 0.000 1.124 49 I CA -0.176 61.103 61.300 -0.035 0.000 1.417 49 I CB 0.663 38.637 38.000 -0.043 0.000 1.396 49 I HN 0.014 nan 8.210 nan 0.000 0.571 50 Q N 5.468 125.259 119.800 -0.015 0.000 2.259 50 Q HA 0.484 4.816 4.340 -0.013 0.000 0.246 50 Q C -0.132 175.868 176.000 -0.001 0.000 0.920 50 Q CA -0.851 54.948 55.803 -0.007 0.000 0.895 50 Q CB 1.338 30.075 28.738 -0.002 0.000 1.220 50 Q HN 0.769 nan 8.270 nan 0.000 0.439 51 A N 2.279 125.101 122.820 0.003 0.000 2.511 51 A HA 0.018 4.330 4.320 -0.013 0.000 0.242 51 A C 0.173 177.769 177.584 0.019 0.000 1.069 51 A CA 0.248 52.291 52.037 0.011 0.000 0.763 51 A CB -0.167 18.840 19.000 0.013 0.000 1.001 51 A HN 0.977 nan 8.150 nan 0.000 0.498 52 E N -0.612 119.606 120.200 0.029 0.000 3.413 52 E HA -0.201 4.141 4.350 -0.013 0.000 0.300 52 E C 0.097 176.730 176.600 0.055 0.000 0.891 52 E CA 1.120 57.549 56.400 0.049 0.000 1.050 52 E CB -1.516 28.210 29.700 0.044 0.000 1.534 52 E HN 0.910 nan 8.360 nan 0.000 0.436 53 E N 0.757 120.980 120.200 0.038 0.000 2.373 53 E HA 0.283 4.625 4.350 -0.013 0.000 0.267 53 E C -0.281 176.354 176.600 0.058 0.000 1.032 53 E CA -0.368 56.054 56.400 0.036 0.000 0.889 53 E CB 0.660 30.366 29.700 0.010 0.000 0.984 53 E HN 0.109 nan 8.360 nan 0.000 0.425 54 L N 4.934 126.200 121.223 0.072 0.000 2.416 54 L HA 0.169 4.502 4.340 -0.013 0.000 0.272 54 L C -0.592 176.298 176.870 0.033 0.000 1.161 54 L CA 0.044 54.945 54.840 0.101 0.000 0.845 54 L CB 1.028 43.150 42.059 0.106 0.000 1.119 54 L HN 0.387 nan 8.230 nan 0.000 0.464 55 V N 0.953 120.875 119.914 0.013 0.000 3.074 55 V HA 0.663 4.775 4.120 -0.013 0.000 0.314 55 V C -0.749 175.280 176.094 -0.108 0.000 1.117 55 V CA -0.893 61.341 62.300 -0.110 0.000 1.014 55 V CB 1.815 33.475 31.823 -0.272 0.000 1.057 55 V HN 0.791 nan 8.190 nan 0.000 0.438 56 E N 0.934 121.029 120.200 -0.175 0.000 2.199 56 E HA 0.578 4.920 4.350 -0.013 0.000 0.265 56 E C -1.722 174.772 176.600 -0.177 0.000 0.882 56 E CA -0.639 55.715 56.400 -0.076 0.000 0.759 56 E CB 1.598 31.293 29.700 -0.009 0.000 1.148 56 E HN 0.618 nan 8.360 nan 0.000 0.412 57 F N 1.602 121.575 119.950 0.039 0.000 2.380 57 F HA 0.186 4.706 4.527 -0.013 0.000 0.321 57 F C 1.857 177.674 175.800 0.028 0.000 1.103 57 F CA -0.274 57.744 58.000 0.031 0.000 1.067 57 F CB 1.405 40.422 39.000 0.029 0.000 1.265 57 F HN 0.493 nan 8.300 nan 0.000 0.517 58 S N 0.253 116.094 115.700 0.234 0.000 2.380 58 S HA -0.240 4.222 4.470 -0.013 0.000 0.229 58 S C 2.120 176.787 174.600 0.112 0.000 1.043 58 S CA 1.955 60.234 58.200 0.131 0.000 1.038 58 S CB -0.519 62.746 63.200 0.109 0.000 0.872 58 S HN 0.735 nan 8.310 nan 0.000 0.456 59 S N -0.179 115.597 115.700 0.125 0.000 2.561 59 S HA 0.294 4.756 4.470 -0.013 0.000 0.225 59 S C 1.518 176.171 174.600 0.088 0.000 0.977 59 S CA 1.031 59.282 58.200 0.084 0.000 0.926 59 S CB 0.051 63.285 63.200 0.056 0.000 0.769 59 S HN 0.836 nan 8.310 nan 0.000 0.533 60 G N 0.094 108.966 108.800 0.121 0.000 2.238 60 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.217 60 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.217 60 G C 0.184 175.170 174.900 0.144 0.000 0.996 60 G CA -0.098 45.068 45.100 0.110 0.000 0.632 60 G HN 1.036 nan 8.290 nan 0.000 0.503 61 V N 1.715 121.730 119.914 0.167 0.000 2.872 61 V HA 0.507 4.619 4.120 -0.013 0.000 0.307 61 V C 0.520 176.822 176.094 0.346 0.000 1.072 61 V CA 0.399 62.816 62.300 0.194 0.000 1.148 61 V CB 1.003 32.878 31.823 0.087 0.000 0.954 61 V HN 0.326 nan 8.190 nan 0.000 0.490 62 K N 4.381 124.984 120.400 0.338 0.000 2.156 62 K HA 0.747 5.060 4.320 -0.013 0.000 0.254 62 K C -0.018 176.866 176.600 0.473 0.000 0.950 62 K CA -0.181 56.344 56.287 0.398 0.000 0.849 62 K CB 1.963 34.663 32.500 0.333 0.000 1.100 62 K HN 0.924 nan 8.250 nan 0.000 0.434 63 G N 0.827 109.865 108.800 0.397 0.000 2.949 63 G HA2 0.630 4.582 3.960 -0.013 0.000 0.285 63 G HA3 0.630 4.582 3.960 -0.013 0.000 0.285 63 G C -1.654 173.305 174.900 0.099 0.000 1.395 63 G CA -0.712 44.481 45.100 0.155 0.000 0.901 63 G HN 0.512 nan 8.290 nan 0.000 0.519 64 M N 0.989 120.541 119.600 -0.081 0.000 2.259 64 M HA 0.664 5.136 4.480 -0.013 0.000 0.304 64 M C -0.234 176.073 176.300 0.011 0.000 1.019 64 M CA -0.845 54.481 55.300 0.042 0.000 0.922 64 M CB 1.835 34.504 32.600 0.115 0.000 1.600 64 M HN 0.706 nan 8.290 nan 0.000 0.433 65 A N 4.526 127.361 122.820 0.026 0.000 2.476 65 A HA 0.285 4.598 4.320 -0.013 0.000 0.275 65 A C 0.138 177.730 177.584 0.015 0.000 1.133 65 A CA -0.272 51.771 52.037 0.011 0.000 0.797 65 A CB 0.010 19.011 19.000 0.000 0.000 1.081 65 A HN 1.003 nan 8.150 nan 0.000 0.510 66 L N 2.878 124.105 121.223 0.005 0.000 2.262 66 L HA 0.258 4.590 4.340 -0.013 0.000 0.197 66 L C 0.706 177.580 176.870 0.007 0.000 1.073 66 L CA 1.411 56.255 54.840 0.007 0.000 0.800 66 L CB -0.054 41.998 42.059 -0.012 0.000 0.987 66 L HN 0.882 nan 8.230 nan 0.000 0.470 67 N N -0.255 118.446 118.700 0.002 0.000 2.399 67 N HA 0.459 5.191 4.740 -0.013 0.000 0.284 67 N C -1.605 173.906 175.510 0.002 0.000 1.025 67 N CA -0.566 52.486 53.050 0.003 0.000 0.885 67 N CB 1.091 39.579 38.487 0.001 0.000 1.339 67 N HN 0.081 nan 8.380 nan 0.000 0.487 68 L N 1.696 122.919 121.223 -0.000 0.000 2.257 68 L HA 0.456 4.789 4.340 -0.013 0.000 0.290 68 L C 0.091 176.958 176.870 -0.005 0.000 1.044 68 L CA -0.620 54.216 54.840 -0.007 0.000 0.810 68 L CB 0.653 42.705 42.059 -0.012 0.000 1.193 68 L HN 0.613 nan 8.230 nan 0.000 0.425 69 E N 3.884 124.081 120.200 -0.004 0.000 2.299 69 E HA 0.474 4.817 4.350 -0.013 0.000 0.260 69 E C -2.483 174.115 176.600 -0.003 0.000 0.944 69 E CA -2.156 54.244 56.400 0.001 0.000 0.815 69 E CB 1.192 30.899 29.700 0.011 0.000 1.252 69 E HN 0.349 nan 8.360 nan 0.000 0.418 70 P HA 0.048 nan 4.420 nan 0.000 0.270 70 P C 0.555 177.866 177.300 0.019 0.000 1.242 70 P CA 0.657 63.758 63.100 0.003 0.000 0.768 70 P CB 0.482 32.188 31.700 0.010 0.000 0.820 71 G N 2.873 111.675 108.800 0.004 0.000 2.317 71 G HA2 -0.183 3.769 3.960 -0.013 0.000 0.227 71 G HA3 -0.183 3.769 3.960 -0.013 0.000 0.227 71 G C -0.109 174.840 174.900 0.082 0.000 1.042 71 G CA 0.339 45.475 45.100 0.061 0.000 0.623 71 G HN 0.816 nan 8.290 nan 0.000 0.509 72 Q N -0.856 118.973 119.800 0.047 0.000 2.462 72 Q HA 0.743 5.076 4.340 -0.013 0.000 0.285 72 Q C -1.495 174.516 176.000 0.018 0.000 1.035 72 Q CA -1.113 54.725 55.803 0.059 0.000 0.799 72 Q CB 2.627 31.429 28.738 0.108 0.000 1.452 72 Q HN 0.491 nan 8.270 nan 0.000 0.404 73 V N 0.913 120.838 119.914 0.020 0.000 2.495 73 V HA 0.699 4.811 4.120 -0.013 0.000 0.298 73 V C 0.143 176.255 176.094 0.029 0.000 1.031 73 V CA -0.324 61.982 62.300 0.009 0.000 0.871 73 V CB 1.690 33.506 31.823 -0.012 0.000 0.988 73 V HN 0.864 nan 8.190 nan 0.000 0.432 74 G N 5.052 113.864 108.800 0.020 0.000 2.320 74 G HA2 0.677 4.630 3.960 -0.013 0.000 0.300 74 G HA3 0.677 4.630 3.960 -0.013 0.000 0.300 74 G C -0.732 174.180 174.900 0.019 0.000 1.126 74 G CA -0.307 44.806 45.100 0.021 0.000 0.896 74 G HN 0.600 nan 8.290 nan 0.000 0.436 75 I N 2.484 123.078 120.570 0.041 0.000 2.436 75 I HA 0.186 4.348 4.170 -0.013 0.000 0.289 75 I C -0.292 175.826 176.117 0.000 0.000 1.010 75 I CA -0.986 60.344 61.300 0.050 0.000 1.098 75 I CB 2.421 40.518 38.000 0.162 0.000 1.266 75 I HN 0.059 nan 8.210 nan 0.000 0.434 76 V N 7.095 126.959 119.914 -0.084 0.000 2.432 76 V HA 0.243 4.355 4.120 -0.013 0.000 0.271 76 V C 0.394 176.305 176.094 -0.305 0.000 1.046 76 V CA -0.406 61.785 62.300 -0.182 0.000 0.945 76 V CB 1.058 32.753 31.823 -0.214 0.000 0.992 76 V HN 0.452 nan 8.190 nan 0.000 0.471 77 L N 5.040 126.122 121.223 -0.234 0.000 2.397 77 L HA 0.348 4.680 4.340 -0.013 0.000 0.271 77 L C -0.008 176.708 176.870 -0.257 0.000 1.148 77 L CA -0.138 54.570 54.840 -0.221 0.000 0.825 77 L CB 0.265 42.223 42.059 -0.168 0.000 1.117 77 L HN 0.501 nan 8.230 nan 0.000 0.456 78 F N 1.629 121.632 119.950 0.088 0.000 2.987 78 F HA 0.504 5.023 4.527 -0.013 0.000 0.302 78 F C 0.944 176.779 175.800 0.058 0.000 1.221 78 F CA -0.474 57.577 58.000 0.086 0.000 1.307 78 F CB 0.200 39.261 39.000 0.101 0.000 1.108 78 F HN 0.548 nan 8.300 nan 0.000 0.521 79 G N -0.998 107.888 108.800 0.143 0.000 2.427 79 G HA2 0.320 4.273 3.960 -0.013 0.000 0.306 79 G HA3 0.320 4.273 3.960 -0.013 0.000 0.306 79 G C -1.326 173.585 174.900 0.018 0.000 1.280 79 G CA -0.760 44.391 45.100 0.084 0.000 0.837 79 G HN 0.027 nan 8.290 nan 0.000 0.482 80 S N -0.931 114.769 115.700 0.001 0.000 2.580 80 S HA 0.321 4.783 4.470 -0.013 0.000 0.274 80 S C 0.908 175.469 174.600 -0.064 0.000 1.329 80 S CA 0.471 58.658 58.200 -0.021 0.000 1.036 80 S CB 0.888 64.082 63.200 -0.010 0.000 0.919 80 S HN 0.401 nan 8.310 nan 0.000 0.515 81 D N 2.363 122.722 120.400 -0.068 0.000 2.218 81 D HA -0.086 4.546 4.640 -0.013 0.000 0.204 81 D C 1.908 178.155 176.300 -0.088 0.000 0.976 81 D CA 0.990 54.934 54.000 -0.095 0.000 0.853 81 D CB -0.213 40.544 40.800 -0.072 0.000 0.939 81 D HN 0.667 nan 8.370 nan 0.000 0.481 82 R N 0.506 120.971 120.500 -0.058 0.000 2.133 82 R HA -0.115 4.217 4.340 -0.013 0.000 0.247 82 R C 1.662 177.930 176.300 -0.053 0.000 1.151 82 R CA 0.989 57.062 56.100 -0.044 0.000 0.971 82 R CB -0.307 29.978 30.300 -0.025 0.000 0.866 82 R HN 0.228 nan 8.270 nan 0.000 0.447 83 L N 0.537 121.718 121.223 -0.069 0.000 2.610 83 L HA 0.092 4.425 4.340 -0.013 0.000 0.232 83 L C -0.320 176.482 176.870 -0.114 0.000 1.149 83 L CA -0.098 54.701 54.840 -0.068 0.000 0.872 83 L CB 0.494 42.522 42.059 -0.053 0.000 0.992 83 L HN -0.019 nan 8.230 nan 0.000 0.447 84 V N -0.324 119.495 119.914 -0.159 0.000 2.709 84 V HA 0.380 4.493 4.120 -0.013 0.000 0.308 84 V C -0.377 175.658 176.094 -0.099 0.000 1.062 84 V CA -0.899 61.281 62.300 -0.201 0.000 0.901 84 V CB 2.374 33.905 31.823 -0.487 0.000 1.003 84 V HN 0.070 nan 8.190 nan 0.000 0.425 85 K N 1.852 122.230 120.400 -0.036 0.000 2.385 85 K HA 0.482 4.794 4.320 -0.013 0.000 0.248 85 K C -0.564 176.046 176.600 0.017 0.000 0.955 85 K CA -0.887 55.394 56.287 -0.010 0.000 0.816 85 K CB 2.812 35.313 32.500 0.002 0.000 1.250 85 K HN 0.786 nan 8.250 nan 0.000 0.434 86 E N 0.237 120.444 120.200 0.012 0.000 2.502 86 E HA -0.062 4.280 4.350 -0.013 0.000 0.261 86 E C 0.609 177.228 176.600 0.031 0.000 0.974 86 E CA 1.461 57.875 56.400 0.023 0.000 0.936 86 E CB 0.137 29.842 29.700 0.008 0.000 0.926 86 E HN 0.788 nan 8.360 nan 0.000 0.459 87 G N 3.460 112.287 108.800 0.045 0.000 2.176 87 G HA2 -0.291 3.661 3.960 -0.013 0.000 0.253 87 G HA3 -0.291 3.661 3.960 -0.013 0.000 0.253 87 G C 0.069 175.005 174.900 0.059 0.000 0.979 87 G CA 0.337 45.464 45.100 0.043 0.000 0.641 87 G HN 0.611 nan 8.290 nan 0.000 0.530 88 E N -0.433 119.815 120.200 0.079 0.000 2.392 88 E HA 0.492 4.834 4.350 -0.013 0.000 0.259 88 E C 0.108 176.774 176.600 0.110 0.000 1.108 88 E CA -0.670 55.788 56.400 0.097 0.000 0.916 88 E CB 1.273 31.047 29.700 0.124 0.000 0.989 88 E HN 0.239 nan 8.360 nan 0.000 0.432 89 L N 2.448 123.725 121.223 0.089 0.000 2.349 89 L HA 0.182 4.514 4.340 -0.013 0.000 0.275 89 L C -1.056 175.834 176.870 0.033 0.000 1.115 89 L CA -0.226 54.649 54.840 0.058 0.000 0.820 89 L CB 1.063 43.145 42.059 0.039 0.000 1.135 89 L HN 0.186 nan 8.230 nan 0.000 0.445 90 V N 4.435 124.325 119.914 -0.039 0.000 2.555 90 V HA 0.533 4.646 4.120 -0.013 0.000 0.302 90 V C -0.359 175.639 176.094 -0.162 0.000 1.038 90 V CA -0.956 61.220 62.300 -0.206 0.000 0.887 90 V CB 1.657 33.282 31.823 -0.330 0.000 0.991 90 V HN 0.670 nan 8.190 nan 0.000 0.434 91 K N 3.182 123.472 120.400 -0.183 0.000 2.259 91 K HA 0.611 4.923 4.320 -0.013 0.000 0.252 91 K C -0.421 176.107 176.600 -0.119 0.000 0.936 91 K CA -0.864 55.355 56.287 -0.112 0.000 0.810 91 K CB 2.503 34.962 32.500 -0.068 0.000 1.143 91 K HN 0.551 nan 8.250 nan 0.000 0.427 92 R N 0.327 120.777 120.500 -0.084 0.000 2.738 92 R HA 0.090 4.423 4.340 -0.013 0.000 0.268 92 R C 0.443 176.717 176.300 -0.044 0.000 1.062 92 R CA 0.267 56.328 56.100 -0.065 0.000 1.158 92 R CB 0.499 30.769 30.300 -0.049 0.000 1.046 92 R HN 0.659 nan 8.270 nan 0.000 0.493 93 T N -0.722 113.814 114.554 -0.029 0.000 2.955 93 T HA 0.146 4.488 4.350 -0.013 0.000 0.251 93 T C 1.121 175.816 174.700 -0.009 0.000 1.002 93 T CA 0.366 62.458 62.100 -0.014 0.000 0.970 93 T CB 0.756 69.624 68.868 -0.000 0.000 1.091 93 T HN 0.896 nan 8.240 nan 0.000 0.495 94 G N 2.655 111.448 108.800 -0.011 0.000 2.184 94 G HA2 -0.239 3.713 3.960 -0.013 0.000 0.264 94 G HA3 -0.239 3.713 3.960 -0.013 0.000 0.264 94 G C -0.132 174.767 174.900 -0.001 0.000 0.975 94 G CA -0.103 44.992 45.100 -0.008 0.000 0.642 94 G HN 0.496 nan 8.290 nan 0.000 0.536 95 N N 0.717 119.419 118.700 0.004 0.000 2.372 95 N HA 0.491 5.224 4.740 -0.013 0.000 0.285 95 N C 0.592 176.114 175.510 0.019 0.000 1.008 95 N CA -0.719 52.337 53.050 0.009 0.000 0.880 95 N CB 1.347 39.839 38.487 0.008 0.000 1.239 95 N HN 0.074 nan 8.380 nan 0.000 0.484 96 I N 1.175 121.756 120.570 0.018 0.000 2.932 96 I HA -0.076 4.086 4.170 -0.013 0.000 0.295 96 I C 0.936 177.073 176.117 0.032 0.000 1.227 96 I CA -0.096 61.219 61.300 0.027 0.000 1.429 96 I CB -0.201 37.808 38.000 0.016 0.000 1.339 96 I HN 0.172 nan 8.210 nan 0.000 0.589 97 V N 6.185 126.131 119.914 0.054 0.000 2.539 97 V HA -0.043 4.069 4.120 -0.013 0.000 0.300 97 V C 0.388 176.487 176.094 0.008 0.000 1.019 97 V CA 0.321 62.652 62.300 0.051 0.000 1.160 97 V CB -0.566 31.311 31.823 0.091 0.000 0.901 97 V HN 0.948 nan 8.190 nan 0.000 0.481 98 D N 4.242 124.637 120.400 -0.008 0.000 2.744 98 D HA 0.768 5.401 4.640 -0.013 0.000 0.304 98 D C -0.722 175.562 176.300 -0.027 0.000 1.179 98 D CA -0.574 53.419 54.000 -0.013 0.000 1.024 98 D CB 2.268 43.065 40.800 -0.004 0.000 1.453 98 D HN 0.494 nan 8.370 nan 0.000 0.529 99 V N -5.284 114.618 119.914 -0.021 0.000 3.120 99 V HA 0.623 4.735 4.120 -0.013 0.000 0.303 99 V C -3.034 173.041 176.094 -0.031 0.000 1.238 99 V CA -2.127 60.156 62.300 -0.029 0.000 1.008 99 V CB 1.563 33.372 31.823 -0.024 0.000 1.064 99 V HN 0.452 nan 8.190 nan 0.000 0.434 100 P HA 0.427 nan 4.420 nan 0.000 0.268 100 P C -0.536 176.712 177.300 -0.088 0.000 1.205 100 P CA 0.080 63.140 63.100 -0.066 0.000 0.771 100 P CB 0.994 32.653 31.700 -0.069 0.000 0.858 101 V N -0.539 119.292 119.914 -0.137 0.000 3.078 101 V HA 1.029 5.142 4.120 -0.013 0.000 0.311 101 V C -0.123 175.662 176.094 -0.514 0.000 1.138 101 V CA -0.349 61.813 62.300 -0.229 0.000 1.007 101 V CB 1.560 33.326 31.823 -0.095 0.000 1.045 101 V HN 0.952 nan 8.190 nan 0.000 0.432 102 G N 1.959 110.184 108.800 -0.959 0.000 2.347 102 G HA2 0.234 4.187 3.960 -0.013 0.000 0.477 102 G HA3 0.234 4.187 3.960 -0.013 0.000 0.477 102 G C -2.517 171.617 174.900 -1.276 0.000 1.349 102 G CA 0.033 44.146 45.100 -1.646 0.000 1.000 102 G HN 0.729 nan 8.290 nan 0.000 0.605 103 P HA -0.007 nan 4.420 nan 0.000 0.218 103 P C 1.928 179.064 177.300 -0.273 0.000 1.149 103 P CA 1.813 64.537 63.100 -0.627 0.000 0.817 103 P CB -0.190 31.261 31.700 -0.416 0.000 0.785 104 G N 0.142 108.775 108.800 -0.278 0.000 2.527 104 G HA2 -0.180 3.772 3.960 -0.013 0.000 0.219 104 G HA3 -0.180 3.772 3.960 -0.013 0.000 0.219 104 G C 1.286 176.125 174.900 -0.101 0.000 1.117 104 G CA 0.240 45.252 45.100 -0.148 0.000 0.759 104 G HN 0.214 nan 8.290 nan 0.000 0.556 105 L N -0.208 120.944 121.223 -0.118 0.000 2.552 105 L HA 0.273 4.606 4.340 -0.013 0.000 0.227 105 L C 0.840 177.718 176.870 0.015 0.000 1.146 105 L CA -0.097 54.712 54.840 -0.052 0.000 0.858 105 L CB -0.292 41.732 42.059 -0.059 0.000 0.969 105 L HN 0.038 nan 8.230 nan 0.000 0.451 106 L N 0.335 121.584 121.223 0.044 0.000 2.485 106 L HA 0.260 4.592 4.340 -0.013 0.000 0.275 106 L C 1.469 178.370 176.870 0.050 0.000 1.207 106 L CA 0.943 55.840 54.840 0.095 0.000 0.855 106 L CB -0.174 41.978 42.059 0.156 0.000 1.114 106 L HN 0.331 nan 8.230 nan 0.000 0.485 107 G N 1.924 110.746 108.800 0.036 0.000 2.225 107 G HA2 -0.247 3.706 3.960 -0.013 0.000 0.267 107 G HA3 -0.247 3.706 3.960 -0.013 0.000 0.267 107 G C 0.310 175.210 174.900 0.000 0.000 1.024 107 G CA -0.067 45.033 45.100 0.001 0.000 0.784 107 G HN 0.412 nan 8.290 nan 0.000 0.507 108 R N -1.035 119.471 120.500 0.009 0.000 2.740 108 R HA 0.695 5.027 4.340 -0.013 0.000 0.282 108 R C -0.307 176.001 176.300 0.012 0.000 0.969 108 R CA -0.837 55.266 56.100 0.005 0.000 0.918 108 R CB 2.038 32.338 30.300 0.000 0.000 1.175 108 R HN 0.203 nan 8.270 nan 0.000 0.464 109 V N 2.455 122.376 119.914 0.010 0.000 2.459 109 V HA 0.619 4.732 4.120 -0.013 0.000 0.295 109 V C 0.169 176.271 176.094 0.014 0.000 1.029 109 V CA -0.788 61.523 62.300 0.019 0.000 0.874 109 V CB 1.688 33.522 31.823 0.019 0.000 0.985 109 V HN 0.621 nan 8.190 nan 0.000 0.438 110 V N 0.724 120.648 119.914 0.016 0.000 3.159 110 V HA 0.823 4.935 4.120 -0.013 0.000 0.308 110 V C -0.718 175.380 176.094 0.007 0.000 1.190 110 V CA -0.883 61.421 62.300 0.006 0.000 1.037 110 V CB 2.158 33.980 31.823 -0.003 0.000 1.060 110 V HN 0.817 nan 8.190 nan 0.000 0.437 111 D N 1.779 122.178 120.400 -0.002 0.000 2.478 111 D HA 0.574 5.206 4.640 -0.013 0.000 0.274 111 D C 1.219 177.504 176.300 -0.025 0.000 1.234 111 D CA 0.094 54.090 54.000 -0.005 0.000 1.069 111 D CB 1.075 41.873 40.800 -0.003 0.000 1.113 111 D HN 0.876 nan 8.370 nan 0.000 0.571 112 A N -0.750 122.046 122.820 -0.040 0.000 2.019 112 A HA -0.028 4.285 4.320 -0.013 0.000 0.219 112 A C 2.128 179.642 177.584 -0.117 0.000 1.164 112 A CA 0.856 52.851 52.037 -0.070 0.000 0.644 112 A CB -0.825 18.131 19.000 -0.074 0.000 0.805 112 A HN 0.516 nan 8.150 nan 0.000 0.449 113 L N -1.120 120.023 121.223 -0.134 0.000 2.629 113 L HA 0.240 4.573 4.340 -0.013 0.000 0.230 113 L C 1.619 178.440 176.870 -0.080 0.000 1.151 113 L CA 0.454 55.206 54.840 -0.147 0.000 0.924 113 L CB -0.084 41.869 42.059 -0.176 0.000 1.137 113 L HN 0.544 nan 8.230 nan 0.000 0.457 114 G N -0.359 108.407 108.800 -0.056 0.000 2.184 114 G HA2 -0.283 3.669 3.960 -0.013 0.000 0.264 114 G HA3 -0.283 3.669 3.960 -0.013 0.000 0.264 114 G C 0.258 175.139 174.900 -0.031 0.000 0.975 114 G CA -0.152 44.925 45.100 -0.038 0.000 0.642 114 G HN 0.427 nan 8.290 nan 0.000 0.536 115 N N 2.258 120.941 118.700 -0.029 0.000 2.483 115 N HA 0.281 5.014 4.740 -0.013 0.000 0.264 115 N C -2.377 173.127 175.510 -0.010 0.000 1.197 115 N CA -0.456 52.584 53.050 -0.017 0.000 0.927 115 N CB 1.093 39.574 38.487 -0.010 0.000 1.065 115 N HN 0.237 nan 8.380 nan 0.000 0.461 116 P HA 0.108 nan 4.420 nan 0.000 0.276 116 P C 0.449 177.749 177.300 0.001 0.000 1.235 116 P CA -0.025 63.072 63.100 -0.005 0.000 0.772 116 P CB 0.454 32.149 31.700 -0.008 0.000 0.871 117 I N -0.385 120.187 120.570 0.005 0.000 4.009 117 I HA 0.246 4.408 4.170 -0.013 0.000 0.331 117 I C 0.382 176.504 176.117 0.008 0.000 1.462 117 I CA -0.153 61.152 61.300 0.009 0.000 1.117 117 I CB 0.018 38.026 38.000 0.013 0.000 1.091 117 I HN 0.041 nan 8.210 nan 0.000 0.410 118 D N 0.938 121.341 120.400 0.005 0.000 2.395 118 D HA 0.180 4.812 4.640 -0.013 0.000 0.213 118 D C 1.543 177.843 176.300 0.001 0.000 1.110 118 D CA 0.297 54.299 54.000 0.003 0.000 0.835 118 D CB 0.295 41.096 40.800 0.001 0.000 0.965 118 D HN 0.400 nan 8.370 nan 0.000 0.505 119 G N 1.079 109.880 108.800 0.001 0.000 2.153 119 G HA2 -0.352 3.600 3.960 -0.013 0.000 0.252 119 G HA3 -0.352 3.600 3.960 -0.013 0.000 0.252 119 G C 0.717 175.616 174.900 -0.002 0.000 0.994 119 G CA 0.400 45.500 45.100 0.000 0.000 0.698 119 G HN 0.454 nan 8.290 nan 0.000 0.521 120 K N 0.181 120.579 120.400 -0.003 0.000 2.437 120 K HA 0.472 4.785 4.320 -0.013 0.000 0.205 120 K C 1.345 177.941 176.600 -0.007 0.000 1.026 120 K CA 0.403 56.687 56.287 -0.005 0.000 1.153 120 K CB 0.447 32.943 32.500 -0.006 0.000 0.863 120 K HN 1.382 nan 8.250 nan 0.000 0.502 121 G N 2.068 110.864 108.800 -0.006 0.000 2.582 121 G HA2 -0.177 3.776 3.960 -0.013 0.000 0.222 121 G HA3 -0.177 3.776 3.960 -0.013 0.000 0.222 121 G C -2.909 171.985 174.900 -0.010 0.000 1.311 121 G CA -1.255 43.840 45.100 -0.008 0.000 0.915 121 G HN 0.008 nan 8.290 nan 0.000 0.528 122 P HA 0.543 nan 4.420 nan 0.000 0.276 122 P C 0.153 177.439 177.300 -0.024 0.000 1.244 122 P CA -0.740 62.350 63.100 -0.017 0.000 0.801 122 P CB 0.500 32.190 31.700 -0.016 0.000 1.006 123 I N 1.742 122.294 120.570 -0.030 0.000 2.471 123 I HA 0.028 4.190 4.170 -0.013 0.000 0.286 123 I C 0.649 176.734 176.117 -0.054 0.000 1.079 123 I CA -0.035 61.240 61.300 -0.043 0.000 1.398 123 I CB -0.188 37.783 38.000 -0.048 0.000 1.403 123 I HN 0.373 nan 8.210 nan 0.000 0.530 124 D N 6.372 126.735 120.400 -0.063 0.000 2.383 124 D HA 0.349 4.981 4.640 -0.013 0.000 0.245 124 D C -0.180 176.049 176.300 -0.119 0.000 1.263 124 D CA -0.028 53.925 54.000 -0.077 0.000 0.936 124 D CB 0.417 41.174 40.800 -0.072 0.000 1.053 124 D HN 0.603 nan 8.370 nan 0.000 0.507 125 A N 3.002 125.754 122.820 -0.113 0.000 2.305 125 A HA 0.644 4.956 4.320 -0.013 0.000 0.322 125 A C 0.966 178.460 177.584 -0.149 0.000 1.187 125 A CA -0.162 51.786 52.037 -0.147 0.000 0.825 125 A CB 1.506 20.442 19.000 -0.107 0.000 1.164 125 A HN 0.576 nan 8.150 nan 0.000 0.498 126 A N 1.950 124.639 122.820 -0.218 0.000 1.970 126 A HA 0.506 4.819 4.320 -0.013 0.000 0.216 126 A C 1.205 178.749 177.584 -0.066 0.000 1.170 126 A CA 1.714 53.660 52.037 -0.151 0.000 0.645 126 A CB -0.286 18.582 19.000 -0.220 0.000 0.816 126 A HN 2.080 nan 8.150 nan 0.000 0.447 127 G N -1.512 107.242 108.800 -0.076 0.000 2.435 127 G HA2 0.520 4.473 3.960 -0.013 0.000 0.296 127 G HA3 0.520 4.473 3.960 -0.013 0.000 0.296 127 G C -1.474 173.406 174.900 -0.033 0.000 1.240 127 G CA -0.946 44.137 45.100 -0.027 0.000 0.872 127 G HN 0.220 nan 8.290 nan 0.000 0.480 128 R N -0.184 120.312 120.500 -0.008 0.000 2.574 128 R HA 0.673 5.005 4.340 -0.013 0.000 0.288 128 R C -1.160 175.146 176.300 0.009 0.000 1.004 128 R CA -0.600 55.495 56.100 -0.009 0.000 0.895 128 R CB 2.258 32.551 30.300 -0.012 0.000 1.191 128 R HN 0.473 nan 8.270 nan 0.000 0.444 129 S N 1.855 117.563 115.700 0.013 0.000 2.537 129 S HA 0.477 4.939 4.470 -0.013 0.000 0.301 129 S C -0.038 174.571 174.600 0.014 0.000 1.092 129 S CA -0.985 57.229 58.200 0.024 0.000 1.048 129 S CB 1.765 64.991 63.200 0.043 0.000 1.053 129 S HN 0.388 nan 8.310 nan 0.000 0.501 130 R N 0.514 121.021 120.500 0.012 0.000 2.774 130 R HA 0.294 4.627 4.340 -0.013 0.000 0.269 130 R C 1.338 177.641 176.300 0.005 0.000 1.068 130 R CA 0.077 56.180 56.100 0.004 0.000 1.180 130 R CB 0.117 30.417 30.300 0.000 0.000 1.077 130 R HN 0.774 nan 8.270 nan 0.000 0.513 131 A N 1.564 124.378 122.820 -0.009 0.000 1.874 131 A HA -0.070 4.243 4.320 -0.013 0.000 0.214 131 A C 0.491 178.057 177.584 -0.029 0.000 1.189 131 A CA 0.997 53.031 52.037 -0.006 0.000 0.615 131 A CB 0.140 19.120 19.000 -0.034 0.000 0.830 131 A HN 0.525 nan 8.150 nan 0.000 0.443 132 Q N 0.761 120.503 119.800 -0.098 0.000 2.421 132 Q HA 0.445 4.778 4.340 -0.013 0.000 0.242 132 Q C -1.338 174.630 176.000 -0.052 0.000 1.024 132 Q CA -0.023 55.691 55.803 -0.149 0.000 0.891 132 Q CB 1.290 29.887 28.738 -0.236 0.000 1.222 132 Q HN 0.192 nan 8.270 nan 0.000 0.483 133 V N 2.736 122.645 119.914 -0.008 0.000 2.459 133 V HA 0.280 4.393 4.120 -0.013 0.000 0.295 133 V C 0.399 176.504 176.094 0.018 0.000 1.029 133 V CA -0.863 61.443 62.300 0.011 0.000 0.874 133 V CB 2.030 33.870 31.823 0.029 0.000 0.985 133 V HN 0.555 nan 8.190 nan 0.000 0.438 134 K N 2.773 123.184 120.400 0.019 0.000 2.382 134 K HA 0.478 4.791 4.320 -0.013 0.000 0.275 134 K C 0.325 176.945 176.600 0.033 0.000 1.009 134 K CA -0.104 56.200 56.287 0.029 0.000 0.970 134 K CB 0.748 33.267 32.500 0.032 0.000 0.934 134 K HN 0.891 nan 8.250 nan 0.000 0.479 135 A N 5.460 128.303 122.820 0.039 0.000 2.407 135 A HA 0.283 4.596 4.320 -0.013 0.000 0.248 135 A C -2.098 175.506 177.584 0.032 0.000 1.082 135 A CA -1.284 50.776 52.037 0.038 0.000 0.785 135 A CB -0.271 18.755 19.000 0.043 0.000 1.020 135 A HN 0.579 nan 8.150 nan 0.000 0.489 136 P HA 0.154 nan 4.420 nan 0.000 0.265 136 P C 0.619 177.933 177.300 0.024 0.000 1.187 136 P CA 0.436 63.548 63.100 0.020 0.000 0.766 136 P CB 0.387 32.097 31.700 0.016 0.000 0.820 137 G N 1.302 110.115 108.800 0.021 0.000 2.489 137 G HA2 0.185 4.137 3.960 -0.013 0.000 0.271 137 G HA3 0.185 4.137 3.960 -0.013 0.000 0.271 137 G C 1.029 175.942 174.900 0.022 0.000 1.427 137 G CA -0.579 44.535 45.100 0.023 0.000 1.057 137 G HN 0.324 nan 8.290 nan 0.000 0.532 138 I N -0.845 119.738 120.570 0.021 0.000 2.286 138 I HA -0.075 4.088 4.170 -0.013 0.000 0.248 138 I C 2.512 178.639 176.117 0.016 0.000 1.115 138 I CA 0.661 61.973 61.300 0.020 0.000 1.392 138 I CB -0.305 37.707 38.000 0.019 0.000 1.065 138 I HN 0.252 nan 8.210 nan 0.000 0.418 139 L N 0.738 121.969 121.223 0.013 0.000 2.068 139 L HA 0.007 4.340 4.340 -0.013 0.000 0.204 139 L C -0.496 176.379 176.870 0.008 0.000 1.076 139 L CA 1.793 56.638 54.840 0.009 0.000 0.753 139 L CB -1.568 40.495 42.059 0.007 0.000 0.910 139 L HN 0.148 nan 8.230 nan 0.000 0.439 140 P HA -0.048 nan 4.420 nan 0.000 0.239 140 P C -0.250 177.056 177.300 0.009 0.000 1.184 140 P CA 0.771 63.874 63.100 0.005 0.000 0.760 140 P CB 0.051 31.752 31.700 0.001 0.000 0.884 141 R N 0.018 120.527 120.500 0.016 0.000 2.674 141 R HA 0.635 4.967 4.340 -0.013 0.000 0.266 141 R C 0.371 176.687 176.300 0.026 0.000 1.016 141 R CA -0.775 55.339 56.100 0.023 0.000 1.062 141 R CB 1.535 31.851 30.300 0.026 0.000 1.142 141 R HN -0.092 nan 8.270 nan 0.000 0.517 142 R N 0.479 121.002 120.500 0.039 0.000 2.643 142 R HA 0.154 4.486 4.340 -0.013 0.000 0.269 142 R C -1.030 175.309 176.300 0.065 0.000 1.037 142 R CA -0.477 55.649 56.100 0.045 0.000 0.894 142 R CB 2.014 32.345 30.300 0.051 0.000 1.238 142 R HN 0.909 nan 8.270 nan 0.000 0.459 143 S N 1.798 117.532 115.700 0.058 0.000 2.558 143 S HA 0.031 4.493 4.470 -0.013 0.000 0.291 143 S C 0.828 175.508 174.600 0.134 0.000 1.306 143 S CA -0.367 57.876 58.200 0.072 0.000 1.056 143 S CB 0.398 63.628 63.200 0.049 0.000 0.836 143 S HN 0.528 nan 8.310 nan 0.000 0.504 144 V N 2.420 122.393 119.914 0.098 0.000 2.599 144 V HA 0.328 4.440 4.120 -0.013 0.000 0.300 144 V C 1.049 177.220 176.094 0.128 0.000 1.034 144 V CA 0.353 62.701 62.300 0.079 0.000 1.115 144 V CB -0.105 31.731 31.823 0.022 0.000 0.934 144 V HN 1.207 nan 8.190 nan 0.000 0.485 145 H N 1.104 120.162 119.070 -0.021 0.000 3.566 145 H HA 0.444 4.993 4.556 -0.013 0.000 0.259 145 H C -0.275 175.019 175.328 -0.056 0.000 1.184 145 H CA -0.340 55.689 56.048 -0.031 0.000 1.107 145 H CB 0.141 29.890 29.762 -0.022 0.000 1.726 145 H HN 0.722 nan 8.280 nan 0.000 0.743 146 E N 2.919 122.852 120.200 -0.446 0.000 2.199 146 E HA 0.395 4.738 4.350 -0.013 0.000 0.269 146 E C -2.868 173.566 176.600 -0.277 0.000 0.899 146 E CA -2.173 53.981 56.400 -0.410 0.000 0.772 146 E CB 2.405 31.787 29.700 -0.530 0.000 1.155 146 E HN 0.137 nan 8.360 nan 0.000 0.408 147 P HA 0.026 nan 4.420 nan 0.000 0.271 147 P C -0.758 176.389 177.300 -0.255 0.000 1.216 147 P CA -0.319 62.655 63.100 -0.209 0.000 0.776 147 P CB 0.615 32.197 31.700 -0.197 0.000 0.881 148 V N 4.381 124.190 119.914 -0.175 0.000 2.288 148 V HA 0.156 4.268 4.120 -0.013 0.000 0.266 148 V C 0.505 176.538 176.094 -0.102 0.000 1.048 148 V CA -0.255 61.948 62.300 -0.161 0.000 0.842 148 V CB 0.009 31.771 31.823 -0.101 0.000 1.064 148 V HN 0.479 nan 8.190 nan 0.000 0.472 149 Q N 2.303 122.031 119.800 -0.120 0.000 2.307 149 Q HA 0.136 4.468 4.340 -0.013 0.000 0.261 149 Q C 1.418 177.470 176.000 0.087 0.000 1.051 149 Q CA 0.209 56.023 55.803 0.018 0.000 0.911 149 Q CB 1.111 29.927 28.738 0.129 0.000 1.227 149 Q HN 0.943 nan 8.270 nan 0.000 0.418 150 T N -1.022 113.569 114.554 0.061 0.000 2.978 150 T HA 0.109 4.451 4.350 -0.013 0.000 0.262 150 T C 1.391 176.134 174.700 0.072 0.000 1.063 150 T CA 0.528 62.664 62.100 0.059 0.000 1.140 150 T CB 0.085 68.975 68.868 0.036 0.000 0.886 150 T HN 0.845 nan 8.240 nan 0.000 0.470 151 G N 1.183 110.030 108.800 0.078 0.000 2.176 151 G HA2 -0.181 3.772 3.960 -0.013 0.000 0.253 151 G HA3 -0.181 3.772 3.960 -0.013 0.000 0.253 151 G C -0.080 174.848 174.900 0.046 0.000 0.979 151 G CA 0.090 45.230 45.100 0.065 0.000 0.641 151 G HN 0.628 nan 8.290 nan 0.000 0.530 152 L N 0.637 121.885 121.223 0.042 0.000 2.265 152 L HA 0.401 4.733 4.340 -0.013 0.000 0.289 152 L C 1.699 178.594 176.870 0.042 0.000 1.033 152 L CA -0.858 54.004 54.840 0.036 0.000 0.814 152 L CB 1.262 43.338 42.059 0.028 0.000 1.203 152 L HN 0.056 nan 8.230 nan 0.000 0.423 153 K N 2.392 122.819 120.400 0.045 0.000 2.044 153 K HA -0.221 4.091 4.320 -0.013 0.000 0.210 153 K C 1.975 178.605 176.600 0.050 0.000 1.049 153 K CA 1.768 58.085 56.287 0.050 0.000 0.927 153 K CB -0.120 32.413 32.500 0.055 0.000 0.713 153 K HN 0.796 nan 8.250 nan 0.000 0.443 154 A N 0.902 123.751 122.820 0.049 0.000 1.972 154 A HA -0.099 4.213 4.320 -0.013 0.000 0.219 154 A C 2.360 179.975 177.584 0.052 0.000 1.169 154 A CA 1.370 53.439 52.037 0.053 0.000 0.635 154 A CB -0.409 18.625 19.000 0.055 0.000 0.810 154 A HN 0.083 nan 8.150 nan 0.000 0.446 155 V N 0.100 120.041 119.914 0.045 0.000 2.300 155 V HA -0.135 3.978 4.120 -0.013 0.000 0.241 155 V C 2.083 178.200 176.094 0.038 0.000 1.034 155 V CA 1.893 64.217 62.300 0.041 0.000 1.021 155 V CB -0.798 31.046 31.823 0.034 0.000 0.662 155 V HN 0.423 nan 8.190 nan 0.000 0.458 156 D N 0.745 121.167 120.400 0.038 0.000 2.190 156 D HA -0.146 4.486 4.640 -0.013 0.000 0.200 156 D C 2.049 178.371 176.300 0.036 0.000 0.992 156 D CA 1.725 55.746 54.000 0.034 0.000 0.854 156 D CB -0.191 40.633 40.800 0.041 0.000 0.936 156 D HN 0.454 nan 8.370 nan 0.000 0.462 157 A N -0.458 122.387 122.820 0.042 0.000 1.935 157 A HA 0.082 4.395 4.320 -0.013 0.000 0.214 157 A C 2.155 179.766 177.584 0.045 0.000 1.178 157 A CA 0.567 52.631 52.037 0.044 0.000 0.640 157 A CB -0.170 18.859 19.000 0.049 0.000 0.825 157 A HN 0.211 nan 8.150 nan 0.000 0.447 158 L N -0.956 120.297 121.223 0.049 0.000 2.500 158 L HA 0.161 4.493 4.340 -0.013 0.000 0.219 158 L C 0.109 177.008 176.870 0.049 0.000 1.057 158 L CA 0.272 55.144 54.840 0.054 0.000 0.854 158 L CB 0.566 42.664 42.059 0.065 0.000 1.078 158 L HN 0.178 nan 8.230 nan 0.000 0.480 159 V N -2.102 117.839 119.914 0.045 0.000 2.464 159 V HA 0.413 4.526 4.120 -0.013 0.000 0.255 159 V C -2.723 173.388 176.094 0.029 0.000 0.946 159 V CA -1.609 60.715 62.300 0.040 0.000 0.988 159 V CB -0.100 31.752 31.823 0.048 0.000 1.210 159 V HN -0.090 nan 8.190 nan 0.000 0.523 160 P HA 0.462 nan 4.420 nan 0.000 0.271 160 P C -0.463 176.839 177.300 0.003 0.000 1.218 160 P CA 0.098 63.205 63.100 0.011 0.000 0.780 160 P CB 1.808 33.513 31.700 0.009 0.000 0.901 161 I N 1.204 121.767 120.570 -0.011 0.000 2.406 161 I HA 0.438 4.600 4.170 -0.013 0.000 0.290 161 I C 0.992 177.083 176.117 -0.043 0.000 0.999 161 I CA -0.613 60.677 61.300 -0.018 0.000 1.124 161 I CB 1.979 39.970 38.000 -0.016 0.000 1.289 161 I HN 0.317 nan 8.210 nan 0.000 0.441 162 G N 4.739 113.517 108.800 -0.038 0.000 2.451 162 G HA2 0.458 4.411 3.960 -0.013 0.000 0.303 162 G HA3 0.458 4.411 3.960 -0.013 0.000 0.303 162 G C -0.310 174.549 174.900 -0.069 0.000 1.166 162 G CA -0.756 44.307 45.100 -0.062 0.000 0.884 162 G HN 0.542 nan 8.290 nan 0.000 0.514 163 R N 0.399 120.833 120.500 -0.110 0.000 2.351 163 R HA 0.391 4.723 4.340 -0.013 0.000 0.318 163 R C 1.098 177.388 176.300 -0.017 0.000 1.055 163 R CA 0.921 56.973 56.100 -0.080 0.000 0.968 163 R CB 0.662 30.874 30.300 -0.146 0.000 0.974 163 R HN 1.029 nan 8.270 nan 0.000 0.439 164 G N 1.862 110.668 108.800 0.011 0.000 2.201 164 G HA2 -0.266 3.686 3.960 -0.013 0.000 0.212 164 G HA3 -0.266 3.686 3.960 -0.013 0.000 0.212 164 G C 0.188 175.102 174.900 0.022 0.000 0.994 164 G CA -0.239 44.879 45.100 0.028 0.000 0.644 164 G HN 0.575 nan 8.290 nan 0.000 0.508 165 Q N 0.286 120.092 119.800 0.010 0.000 2.382 165 Q HA 0.636 4.968 4.340 -0.013 0.000 0.229 165 Q C 0.040 176.049 176.000 0.016 0.000 1.006 165 Q CA -0.405 55.405 55.803 0.013 0.000 0.916 165 Q CB 0.413 29.153 28.738 0.005 0.000 1.235 165 Q HN 0.436 nan 8.270 nan 0.000 0.512 166 R N 2.116 122.628 120.500 0.021 0.000 2.360 166 R HA 0.279 4.612 4.340 -0.013 0.000 0.318 166 R C -1.357 174.955 176.300 0.020 0.000 0.950 166 R CA -0.566 55.548 56.100 0.023 0.000 0.837 166 R CB 1.479 31.797 30.300 0.030 0.000 1.165 166 R HN 0.413 nan 8.270 nan 0.000 0.458 167 E N 3.096 123.306 120.200 0.016 0.000 2.182 167 E HA 0.185 4.528 4.350 -0.013 0.000 0.258 167 E C -1.387 175.224 176.600 0.019 0.000 0.879 167 E CA -0.944 55.467 56.400 0.019 0.000 0.754 167 E CB 1.018 30.728 29.700 0.016 0.000 1.162 167 E HN 0.336 nan 8.360 nan 0.000 0.419 168 L N 5.564 126.800 121.223 0.022 0.000 2.410 168 L HA 0.362 4.695 4.340 -0.013 0.000 0.273 168 L C -0.746 176.141 176.870 0.029 0.000 1.152 168 L CA 0.391 55.242 54.840 0.019 0.000 0.855 168 L CB 0.320 42.391 42.059 0.020 0.000 1.129 168 L HN 0.631 nan 8.230 nan 0.000 0.463 169 I N 7.214 127.794 120.570 0.016 0.000 2.307 169 I HA 0.360 4.522 4.170 -0.013 0.000 0.289 169 I C -0.178 175.941 176.117 0.004 0.000 1.021 169 I CA -0.124 61.183 61.300 0.012 0.000 1.224 169 I CB 0.919 38.919 38.000 -0.000 0.000 1.376 169 I HN 0.562 nan 8.210 nan 0.000 0.470 170 I N 5.394 125.977 120.570 0.023 0.000 2.608 170 I HA 0.894 5.056 4.170 -0.013 0.000 0.295 170 I C -0.276 175.781 176.117 -0.099 0.000 1.049 170 I CA -0.080 61.237 61.300 0.027 0.000 1.063 170 I CB 2.083 40.164 38.000 0.134 0.000 1.248 170 I HN 0.693 nan 8.210 nan 0.000 0.424 171 G N 4.792 113.511 108.800 -0.136 0.000 2.316 171 G HA2 0.146 4.098 3.960 -0.013 0.000 0.296 171 G HA3 0.146 4.098 3.960 -0.013 0.000 0.296 171 G C -1.841 172.960 174.900 -0.164 0.000 1.399 171 G CA -0.807 44.104 45.100 -0.315 0.000 0.833 171 G HN 0.516 nan 8.290 nan 0.000 0.565 172 D N -0.030 120.272 120.400 -0.163 0.000 2.341 172 D HA 0.176 4.808 4.640 -0.013 0.000 0.235 172 D C 1.267 177.495 176.300 -0.121 0.000 1.265 172 D CA 0.145 54.089 54.000 -0.094 0.000 0.888 172 D CB 0.455 41.210 40.800 -0.075 0.000 1.192 172 D HN 0.563 nan 8.370 nan 0.000 0.462 173 R N 1.118 121.571 120.500 -0.078 0.000 2.523 173 R HA -0.138 4.195 4.340 -0.013 0.000 0.281 173 R C -0.143 176.069 176.300 -0.147 0.000 0.969 173 R CA 0.350 56.401 56.100 -0.081 0.000 1.093 173 R CB 0.074 30.351 30.300 -0.037 0.000 0.917 173 R HN 0.307 nan 8.270 nan 0.000 0.408 174 Q N 1.603 121.295 119.800 -0.179 0.000 2.460 174 Q HA -0.153 4.180 4.340 -0.013 0.000 0.311 174 Q C -0.003 175.604 176.000 -0.654 0.000 1.396 174 Q CA 1.628 57.262 55.803 -0.282 0.000 0.838 174 Q CB -1.646 27.005 28.738 -0.144 0.000 1.140 174 Q HN 0.947 nan 8.270 nan 0.000 0.415 175 T N -5.165 108.992 114.554 -0.662 0.000 3.043 175 T HA 0.467 4.809 4.350 -0.013 0.000 0.272 175 T C 1.070 175.340 174.700 -0.716 0.000 0.990 175 T CA 0.640 62.177 62.100 -0.937 0.000 0.897 175 T CB 1.191 69.783 68.868 -0.460 0.000 1.111 175 T HN 0.876 nan 8.240 nan 0.000 0.529 176 G N 1.957 110.477 108.800 -0.466 0.000 2.138 176 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.193 176 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.193 176 G C 0.745 175.584 174.900 -0.100 0.000 0.998 176 G CA 0.207 45.209 45.100 -0.164 0.000 0.668 176 G HN 0.497 nan 8.290 nan 0.000 0.516 177 K N -0.228 120.100 120.400 -0.121 0.000 1.978 177 K HA -0.089 4.223 4.320 -0.013 0.000 0.214 177 K C 2.522 179.108 176.600 -0.023 0.000 1.049 177 K CA 1.981 58.227 56.287 -0.069 0.000 0.939 177 K CB -0.484 31.974 32.500 -0.070 0.000 0.721 177 K HN 0.284 nan 8.250 nan 0.000 0.441 178 T N 1.228 115.779 114.554 -0.006 0.000 2.803 178 T HA -0.162 4.181 4.350 -0.013 0.000 0.269 178 T C 1.951 176.649 174.700 -0.005 0.000 1.052 178 T CA 1.346 63.469 62.100 0.038 0.000 1.136 178 T CB -0.265 68.637 68.868 0.056 0.000 0.864 178 T HN 0.372 nan 8.240 nan 0.000 0.467 179 A N 0.864 123.660 122.820 -0.040 0.000 1.930 179 A HA 0.008 4.321 4.320 -0.013 0.000 0.217 179 A C 2.571 180.114 177.584 -0.068 0.000 1.175 179 A CA 1.035 53.021 52.037 -0.084 0.000 0.627 179 A CB -0.870 18.071 19.000 -0.098 0.000 0.815 179 A HN 0.357 nan 8.150 nan 0.000 0.443 180 V N 0.013 119.907 119.914 -0.034 0.000 2.255 180 V HA -0.292 3.820 4.120 -0.013 0.000 0.247 180 V C 3.079 179.172 176.094 -0.002 0.000 1.051 180 V CA 2.115 64.406 62.300 -0.015 0.000 1.018 180 V CB -1.280 30.540 31.823 -0.004 0.000 0.641 180 V HN 0.612 nan 8.190 nan 0.000 0.445 181 A N -0.453 122.376 122.820 0.014 0.000 1.902 181 A HA -0.198 4.115 4.320 -0.013 0.000 0.217 181 A C 2.161 179.759 177.584 0.023 0.000 1.181 181 A CA 2.147 54.207 52.037 0.039 0.000 0.623 181 A CB -0.572 18.483 19.000 0.092 0.000 0.818 181 A HN 0.463 nan 8.150 nan 0.000 0.443 182 L N -0.221 120.994 121.223 -0.014 0.000 2.156 182 L HA -0.088 4.244 4.340 -0.013 0.000 0.208 182 L C 1.550 178.398 176.870 -0.037 0.000 1.095 182 L CA 2.323 57.130 54.840 -0.055 0.000 0.770 182 L CB -0.491 41.514 42.059 -0.091 0.000 0.914 182 L HN 0.334 nan 8.230 nan 0.000 0.439 183 D N -1.369 119.006 120.400 -0.042 0.000 2.144 183 D HA -0.145 4.487 4.640 -0.013 0.000 0.200 183 D C 2.047 178.359 176.300 0.020 0.000 0.978 183 D CA 1.543 55.528 54.000 -0.025 0.000 0.833 183 D CB -0.009 40.762 40.800 -0.048 0.000 0.961 183 D HN 0.304 nan 8.370 nan 0.000 0.470 184 T N 0.199 114.768 114.554 0.025 0.000 2.720 184 T HA -0.108 4.235 4.350 -0.013 0.000 0.268 184 T C 2.036 176.780 174.700 0.073 0.000 1.037 184 T CA 0.711 62.839 62.100 0.047 0.000 1.144 184 T CB -0.199 68.689 68.868 0.034 0.000 0.864 184 T HN 0.160 nan 8.240 nan 0.000 0.444 185 I N 0.497 121.111 120.570 0.074 0.000 2.353 185 I HA -0.073 4.089 4.170 -0.013 0.000 0.248 185 I C 2.163 178.399 176.117 0.199 0.000 1.119 185 I CA 0.976 62.357 61.300 0.136 0.000 1.417 185 I CB -0.306 37.749 38.000 0.092 0.000 1.078 185 I HN 0.186 nan 8.210 nan 0.000 0.421 186 L N 0.281 121.571 121.223 0.112 0.000 2.083 186 L HA -0.214 4.119 4.340 -0.013 0.000 0.209 186 L C 2.253 179.209 176.870 0.143 0.000 1.083 186 L CA 1.169 56.084 54.840 0.126 0.000 0.752 186 L CB -0.723 41.365 42.059 0.048 0.000 0.899 186 L HN 0.307 nan 8.230 nan 0.000 0.433 187 N N -0.154 118.608 118.700 0.103 0.000 2.149 187 N HA -0.201 4.531 4.740 -0.013 0.000 0.188 187 N C 1.835 177.374 175.510 0.049 0.000 1.019 187 N CA 1.038 54.131 53.050 0.071 0.000 0.857 187 N CB 0.022 38.574 38.487 0.109 0.000 0.997 187 N HN 0.224 nan 8.380 nan 0.000 0.426 188 Q N 0.466 120.319 119.800 0.089 0.000 2.368 188 Q HA -0.124 4.208 4.340 -0.013 0.000 0.210 188 Q C 1.610 177.466 176.000 -0.239 0.000 0.982 188 Q CA 0.652 56.451 55.803 -0.007 0.000 0.884 188 Q CB -0.290 28.310 28.738 -0.230 0.000 0.933 188 Q HN 0.485 nan 8.270 nan 0.000 0.460 189 K N 0.956 121.284 120.400 -0.120 0.000 2.228 189 K HA -0.180 4.133 4.320 -0.013 0.000 0.205 189 K C 1.947 178.404 176.600 -0.239 0.000 1.045 189 K CA 1.008 57.258 56.287 -0.062 0.000 0.931 189 K CB 0.077 32.624 32.500 0.078 0.000 0.727 189 K HN 0.156 nan 8.250 nan 0.000 0.458 190 R N -0.856 119.365 120.500 -0.465 0.000 2.081 190 R HA -0.142 4.190 4.340 -0.013 0.000 0.235 190 R C 1.860 177.617 176.300 -0.906 0.000 1.131 190 R CA 1.795 57.357 56.100 -0.897 0.000 0.960 190 R CB -0.078 29.216 30.300 -1.678 0.000 0.856 190 R HN 0.408 nan 8.270 nan 0.000 0.436 191 W N -0.610 120.592 121.300 -0.163 0.000 2.842 191 W HA 0.183 4.835 4.660 -0.013 0.000 0.267 191 W C 1.159 177.560 176.519 -0.196 0.000 1.219 191 W CA -0.459 56.787 57.345 -0.163 0.000 1.458 191 W CB -0.339 29.019 29.460 -0.171 0.000 1.006 191 W HN 0.070 nan 8.180 nan 0.000 0.603 192 N N 1.420 120.053 118.700 -0.111 0.000 2.453 192 N HA -0.118 4.615 4.740 -0.013 0.000 0.183 192 N C 0.930 176.387 175.510 -0.088 0.000 1.041 192 N CA 0.963 53.877 53.050 -0.226 0.000 0.900 192 N CB -0.500 37.636 38.487 -0.583 0.000 0.961 192 N HN 0.140 nan 8.380 nan 0.000 0.443 193 N N -0.235 118.428 118.700 -0.062 0.000 2.422 193 N HA 0.065 4.797 4.740 -0.013 0.000 0.181 193 N C 1.042 176.545 175.510 -0.011 0.000 1.080 193 N CA 0.195 53.234 53.050 -0.018 0.000 0.893 193 N CB 0.058 38.526 38.487 -0.031 0.000 0.973 193 N HN 0.140 nan 8.380 nan 0.000 0.456 194 G N -0.813 107.979 108.800 -0.012 0.000 2.553 194 G HA2 0.222 4.174 3.960 -0.013 0.000 0.278 194 G HA3 0.222 4.174 3.960 -0.013 0.000 0.278 194 G C 0.658 175.579 174.900 0.034 0.000 1.349 194 G CA -0.285 44.822 45.100 0.012 0.000 1.037 194 G HN 0.123 nan 8.290 nan 0.000 0.508 195 S N -1.001 114.724 115.700 0.042 0.000 2.427 195 S HA 0.032 4.494 4.470 -0.013 0.000 0.224 195 S C 0.739 175.376 174.600 0.061 0.000 1.047 195 S CA 0.210 58.440 58.200 0.050 0.000 0.953 195 S CB -0.003 63.222 63.200 0.040 0.000 0.824 195 S HN 0.657 nan 8.310 nan 0.000 0.502 196 D N 2.294 122.730 120.400 0.061 0.000 2.363 196 D HA 0.054 4.686 4.640 -0.013 0.000 0.263 196 D C 0.978 177.318 176.300 0.067 0.000 1.258 196 D CA 0.187 54.223 54.000 0.060 0.000 0.907 196 D CB 0.486 41.318 40.800 0.053 0.000 1.107 196 D HN 0.003 nan 8.370 nan 0.000 0.495 197 E N 1.798 122.049 120.200 0.084 0.000 2.150 197 E HA -0.136 4.207 4.350 -0.013 0.000 0.193 197 E C 1.862 178.542 176.600 0.133 0.000 0.985 197 E CA 0.826 57.299 56.400 0.123 0.000 0.814 197 E CB -0.138 29.647 29.700 0.141 0.000 0.752 197 E HN 0.627 nan 8.360 nan 0.000 0.466 198 S N 0.624 116.382 115.700 0.096 0.000 2.447 198 S HA -0.017 4.446 4.470 -0.013 0.000 0.233 198 S C 1.735 176.285 174.600 -0.083 0.000 1.006 198 S CA 0.597 58.856 58.200 0.099 0.000 0.957 198 S CB 0.048 63.285 63.200 0.061 0.000 0.773 198 S HN 0.015 nan 8.310 nan 0.000 0.507 199 K N 1.214 121.553 120.400 -0.101 0.000 2.305 199 K HA 0.225 4.538 4.320 -0.013 0.000 0.199 199 K C 0.438 176.897 176.600 -0.236 0.000 1.047 199 K CA 0.299 56.435 56.287 -0.251 0.000 0.976 199 K CB -0.006 32.396 32.500 -0.163 0.000 0.765 199 K HN 0.460 nan 8.250 nan 0.000 0.474 200 K N 1.118 121.459 120.400 -0.098 0.000 2.355 200 K HA 0.089 4.401 4.320 -0.013 0.000 0.270 200 K C -0.387 176.081 176.600 -0.221 0.000 1.003 200 K CA -0.176 56.007 56.287 -0.173 0.000 0.957 200 K CB 0.482 32.857 32.500 -0.209 0.000 0.939 200 K HN -0.183 nan 8.250 nan 0.000 0.482 201 L N 3.852 124.859 121.223 -0.359 0.000 2.504 201 L HA 0.288 4.620 4.340 -0.013 0.000 0.265 201 L C -1.706 174.958 176.870 -0.343 0.000 0.975 201 L CA -0.375 54.315 54.840 -0.250 0.000 0.864 201 L CB 0.649 42.592 42.059 -0.192 0.000 1.212 201 L HN 0.456 nan 8.230 nan 0.000 0.416 202 Y N 2.863 123.035 120.300 -0.213 0.000 2.301 202 Y HA 0.529 5.072 4.550 -0.013 0.000 0.325 202 Y C 0.499 176.297 175.900 -0.170 0.000 1.203 202 Y CA -0.039 57.900 58.100 -0.268 0.000 1.255 202 Y CB 1.127 39.107 38.460 -0.801 0.000 1.232 202 Y HN 0.511 nan 8.280 nan 0.000 0.501 203 C N 2.424 121.805 119.300 0.135 0.000 2.455 203 C HA 0.716 5.168 4.460 -0.013 0.000 0.320 203 C C -0.521 174.523 174.990 0.089 0.000 1.226 203 C CA -1.163 57.919 59.018 0.106 0.000 1.569 203 C CB 0.795 28.639 27.740 0.173 0.000 2.200 203 C HN 0.538 nan 8.230 nan 0.000 0.491 204 V N 3.066 123.012 119.914 0.054 0.000 2.444 204 V HA 0.332 4.444 4.120 -0.013 0.000 0.294 204 V C -1.022 175.096 176.094 0.039 0.000 1.022 204 V CA -0.515 61.815 62.300 0.051 0.000 0.850 204 V CB 1.171 33.009 31.823 0.026 0.000 0.992 204 V HN 0.809 nan 8.190 nan 0.000 0.426 205 Y N 5.114 125.387 120.300 -0.045 0.000 2.331 205 Y HA 0.674 5.216 4.550 -0.013 0.000 0.338 205 Y C -0.386 175.491 175.900 -0.038 0.000 0.976 205 Y CA -0.688 57.379 58.100 -0.055 0.000 1.137 205 Y CB 1.735 40.175 38.460 -0.034 0.000 1.172 205 Y HN 0.413 nan 8.280 nan 0.000 0.478 206 V N 6.171 125.755 119.914 -0.551 0.000 2.334 206 V HA 0.649 4.761 4.120 -0.013 0.000 0.281 206 V C -0.107 175.702 176.094 -0.474 0.000 1.016 206 V CA -0.819 61.277 62.300 -0.339 0.000 0.832 206 V CB 0.851 32.600 31.823 -0.123 0.000 0.999 206 V HN 0.935 nan 8.190 nan 0.000 0.439 207 A N 5.176 127.847 122.820 -0.248 0.000 2.260 207 A HA 0.734 5.046 4.320 -0.013 0.000 0.312 207 A C -0.440 177.115 177.584 -0.047 0.000 1.321 207 A CA -0.375 51.589 52.037 -0.121 0.000 0.928 207 A CB 0.625 19.671 19.000 0.077 0.000 1.158 207 A HN 0.692 nan 8.150 nan 0.000 0.542 208 V N 2.728 122.616 119.914 -0.044 0.000 2.350 208 V HA 0.621 4.734 4.120 -0.013 0.000 0.285 208 V C 1.126 177.234 176.094 0.023 0.000 1.014 208 V CA 0.596 62.893 62.300 -0.005 0.000 0.831 208 V CB 0.660 32.474 31.823 -0.015 0.000 1.000 208 V HN 1.756 nan 8.190 nan 0.000 0.433 209 G N 4.023 112.848 108.800 0.042 0.000 2.176 209 G HA2 -0.223 3.730 3.960 -0.013 0.000 0.253 209 G HA3 -0.223 3.730 3.960 -0.013 0.000 0.253 209 G C 0.189 175.118 174.900 0.048 0.000 0.979 209 G CA 0.246 45.377 45.100 0.051 0.000 0.641 209 G HN 0.607 nan 8.290 nan 0.000 0.530 210 Q N -0.017 119.812 119.800 0.049 0.000 2.318 210 Q HA 0.538 4.870 4.340 -0.013 0.000 0.222 210 Q C 0.412 176.443 176.000 0.052 0.000 1.003 210 Q CA -0.292 55.544 55.803 0.054 0.000 0.936 210 Q CB 0.708 29.490 28.738 0.073 0.000 1.204 210 Q HN 0.333 nan 8.270 nan 0.000 0.524 211 K N 0.815 121.244 120.400 0.049 0.000 2.270 211 K HA 0.097 4.409 4.320 -0.013 0.000 0.276 211 K C 0.971 177.598 176.600 0.045 0.000 1.023 211 K CA -0.063 56.250 56.287 0.043 0.000 0.955 211 K CB 0.716 33.239 32.500 0.037 0.000 0.975 211 K HN 0.432 nan 8.250 nan 0.000 0.471 212 R N 0.698 121.221 120.500 0.040 0.000 2.103 212 R HA -0.196 4.137 4.340 -0.013 0.000 0.242 212 R C 2.258 178.578 176.300 0.033 0.000 1.142 212 R CA 2.217 58.340 56.100 0.038 0.000 0.960 212 R CB -0.330 29.989 30.300 0.031 0.000 0.858 212 R HN 0.787 nan 8.270 nan 0.000 0.439 213 S N -0.194 115.524 115.700 0.029 0.000 2.382 213 S HA -0.128 4.334 4.470 -0.013 0.000 0.228 213 S C 1.938 176.553 174.600 0.025 0.000 1.027 213 S CA 1.714 59.928 58.200 0.023 0.000 0.991 213 S CB -0.474 62.739 63.200 0.021 0.000 0.823 213 S HN 0.216 nan 8.310 nan 0.000 0.469 214 T N 2.297 116.870 114.554 0.033 0.000 2.746 214 T HA -0.029 4.313 4.350 -0.013 0.000 0.267 214 T C 1.902 176.623 174.700 0.035 0.000 1.039 214 T CA 1.522 63.644 62.100 0.036 0.000 1.142 214 T CB -0.573 68.324 68.868 0.049 0.000 0.866 214 T HN 0.321 nan 8.240 nan 0.000 0.444 215 V N 1.657 121.601 119.914 0.050 0.000 2.307 215 V HA -0.100 4.013 4.120 -0.013 0.000 0.245 215 V C 2.913 179.019 176.094 0.020 0.000 1.045 215 V CA 1.550 63.884 62.300 0.057 0.000 1.024 215 V CB -1.237 30.638 31.823 0.087 0.000 0.651 215 V HN 0.512 nan 8.190 nan 0.000 0.449 216 A N -0.735 122.096 122.820 0.018 0.000 1.940 216 A HA -0.301 4.011 4.320 -0.013 0.000 0.219 216 A C 2.176 179.754 177.584 -0.010 0.000 1.176 216 A CA 2.022 54.061 52.037 0.004 0.000 0.631 216 A CB -0.480 18.525 19.000 0.007 0.000 0.814 216 A HN 0.640 nan 8.150 nan 0.000 0.446 217 Q N -1.086 118.710 119.800 -0.007 0.000 2.172 217 Q HA -0.002 4.330 4.340 -0.013 0.000 0.200 217 Q C 2.088 178.066 176.000 -0.037 0.000 0.964 217 Q CA 1.157 56.950 55.803 -0.016 0.000 0.855 217 Q CB -0.202 28.534 28.738 -0.003 0.000 0.918 217 Q HN 0.733 nan 8.270 nan 0.000 0.444 218 L N -0.105 121.088 121.223 -0.049 0.000 2.072 218 L HA -0.143 4.189 4.340 -0.013 0.000 0.205 218 L C 2.080 178.878 176.870 -0.121 0.000 1.079 218 L CA 0.739 55.517 54.840 -0.104 0.000 0.752 218 L CB -0.054 41.905 42.059 -0.167 0.000 0.906 218 L HN 0.021 nan 8.230 nan 0.000 0.436 219 V N -0.096 119.766 119.914 -0.086 0.000 2.343 219 V HA -0.320 3.793 4.120 -0.013 0.000 0.247 219 V C 2.504 178.557 176.094 -0.067 0.000 1.051 219 V CA 2.004 64.259 62.300 -0.075 0.000 1.036 219 V CB -0.556 31.243 31.823 -0.040 0.000 0.654 219 V HN 0.568 nan 8.190 nan 0.000 0.451 220 Q N 0.143 119.911 119.800 -0.053 0.000 2.124 220 Q HA -0.178 4.155 4.340 -0.013 0.000 0.202 220 Q C 2.132 178.101 176.000 -0.053 0.000 0.977 220 Q CA 2.522 58.297 55.803 -0.046 0.000 0.850 220 Q CB -0.706 28.009 28.738 -0.037 0.000 0.901 220 Q HN 0.613 nan 8.270 nan 0.000 0.429 221 T N 0.901 115.411 114.554 -0.073 0.000 2.674 221 T HA -0.115 4.227 4.350 -0.013 0.000 0.265 221 T C 1.690 176.345 174.700 -0.075 0.000 1.039 221 T CA 1.500 63.544 62.100 -0.094 0.000 1.150 221 T CB -0.333 68.451 68.868 -0.139 0.000 0.864 221 T HN 0.257 nan 8.240 nan 0.000 0.427 222 L N 0.659 121.815 121.223 -0.111 0.000 2.043 222 L HA -0.162 4.171 4.340 -0.013 0.000 0.212 222 L C 2.743 179.568 176.870 -0.074 0.000 1.075 222 L CA 1.562 56.331 54.840 -0.118 0.000 0.752 222 L CB -0.606 41.357 42.059 -0.160 0.000 0.891 222 L HN 0.356 nan 8.230 nan 0.000 0.432 223 E N -0.430 119.733 120.200 -0.061 0.000 2.077 223 E HA -0.268 4.074 4.350 -0.013 0.000 0.193 223 E C 2.261 178.849 176.600 -0.021 0.000 0.989 223 E CA 0.996 57.368 56.400 -0.047 0.000 0.800 223 E CB -0.075 29.599 29.700 -0.044 0.000 0.746 223 E HN 0.482 nan 8.360 nan 0.000 0.452 224 Q N -0.208 119.594 119.800 0.004 0.000 2.181 224 Q HA -0.176 4.156 4.340 -0.013 0.000 0.205 224 Q C 1.125 177.116 176.000 -0.015 0.000 0.980 224 Q CA 1.232 57.034 55.803 -0.001 0.000 0.862 224 Q CB 0.038 28.786 28.738 0.016 0.000 0.905 224 Q HN 0.377 nan 8.270 nan 0.000 0.429 225 H N -0.705 118.313 119.070 -0.087 0.000 2.526 225 H HA 0.052 4.601 4.556 -0.013 0.000 0.274 225 H C -0.293 175.004 175.328 -0.052 0.000 0.999 225 H CA 0.555 56.566 56.048 -0.062 0.000 1.157 225 H CB 0.365 30.102 29.762 -0.042 0.000 1.407 225 H HN 0.193 nan 8.280 nan 0.000 0.568 226 D N -0.941 119.471 120.400 0.019 0.000 2.945 226 D HA -0.207 4.426 4.640 -0.013 0.000 0.225 226 D C 0.993 177.249 176.300 -0.072 0.000 1.158 226 D CA 0.803 54.793 54.000 -0.017 0.000 0.805 226 D CB -1.141 39.662 40.800 0.005 0.000 1.098 226 D HN 0.503 nan 8.370 nan 0.000 0.426 227 A N -1.058 121.654 122.820 -0.180 0.000 2.252 227 A HA 0.206 4.518 4.320 -0.013 0.000 0.213 227 A C 1.894 179.007 177.584 -0.785 0.000 1.188 227 A CA 0.871 52.563 52.037 -0.576 0.000 0.863 227 A CB -0.052 18.761 19.000 -0.312 0.000 0.893 227 A HN 0.260 nan 8.150 nan 0.000 0.495 228 M N 1.422 120.801 119.600 -0.368 0.000 2.159 228 M HA -0.131 4.342 4.480 -0.013 0.000 0.263 228 M C 2.003 178.172 176.300 -0.218 0.000 1.063 228 M CA 2.001 57.149 55.300 -0.253 0.000 1.110 228 M CB -0.505 32.016 32.600 -0.132 0.000 1.374 228 M HN 0.508 nan 8.290 nan 0.000 0.411 229 K N -0.482 119.808 120.400 -0.182 0.000 2.281 229 K HA -0.196 4.116 4.320 -0.013 0.000 0.203 229 K C 0.717 177.359 176.600 0.070 0.000 1.046 229 K CA 1.814 58.080 56.287 -0.035 0.000 0.938 229 K CB -0.824 31.691 32.500 0.026 0.000 0.737 229 K HN 0.626 nan 8.250 nan 0.000 0.458 230 Y N -0.117 120.224 120.300 0.069 0.000 2.612 230 Y HA 0.408 4.951 4.550 -0.013 0.000 0.250 230 Y C -0.220 175.747 175.900 0.113 0.000 1.175 230 Y CA -1.049 57.117 58.100 0.109 0.000 1.205 230 Y CB 0.030 38.479 38.460 -0.019 0.000 1.201 230 Y HN 0.103 nan 8.280 nan 0.000 0.532 231 S N 0.115 115.836 115.700 0.035 0.000 2.667 231 S HA 0.821 5.283 4.470 -0.013 0.000 0.292 231 S C -1.082 173.554 174.600 0.061 0.000 1.126 231 S CA -0.793 57.448 58.200 0.068 0.000 0.881 231 S CB 2.193 65.382 63.200 -0.019 0.000 1.132 231 S HN 0.198 nan 8.310 nan 0.000 0.492 232 I N 1.508 122.128 120.570 0.084 0.000 2.466 232 I HA 0.401 4.564 4.170 -0.013 0.000 0.289 232 I C -1.065 175.103 176.117 0.085 0.000 1.026 232 I CA -0.802 60.546 61.300 0.080 0.000 1.078 232 I CB 1.700 39.764 38.000 0.107 0.000 1.249 232 I HN 0.519 nan 8.210 nan 0.000 0.429 233 I N 6.640 127.254 120.570 0.074 0.000 2.392 233 I HA 0.467 4.629 4.170 -0.013 0.000 0.295 233 I C -0.147 176.013 176.117 0.073 0.000 0.985 233 I CA -0.872 60.492 61.300 0.108 0.000 1.221 233 I CB 1.602 39.663 38.000 0.103 0.000 1.366 233 I HN 0.141 nan 8.210 nan 0.000 0.467 234 V N 4.908 124.861 119.914 0.065 0.000 2.482 234 V HA 0.693 4.805 4.120 -0.013 0.000 0.295 234 V C 0.012 176.120 176.094 0.023 0.000 1.026 234 V CA -0.598 61.720 62.300 0.029 0.000 0.856 234 V CB 1.642 33.471 31.823 0.012 0.000 1.001 234 V HN 0.900 nan 8.190 nan 0.000 0.424 235 A N 4.042 126.878 122.820 0.028 0.000 2.319 235 A HA 0.911 5.224 4.320 -0.013 0.000 0.310 235 A C -0.059 177.541 177.584 0.027 0.000 1.152 235 A CA -0.290 51.767 52.037 0.034 0.000 0.783 235 A CB 1.447 20.479 19.000 0.053 0.000 1.184 235 A HN 1.347 nan 8.150 nan 0.000 0.474 236 A N 3.120 125.956 122.820 0.027 0.000 2.536 236 A HA 0.632 4.944 4.320 -0.013 0.000 0.329 236 A C 0.526 178.138 177.584 0.047 0.000 1.321 236 A CA 0.047 52.107 52.037 0.039 0.000 0.804 236 A CB -0.344 18.682 19.000 0.043 0.000 1.126 236 A HN 1.213 nan 8.150 nan 0.000 0.480 237 T N -1.012 113.571 114.554 0.049 0.000 2.771 237 T HA 0.519 4.862 4.350 -0.013 0.000 0.290 237 T C 1.551 176.283 174.700 0.052 0.000 1.005 237 T CA 0.087 62.217 62.100 0.050 0.000 0.944 237 T CB 0.855 69.751 68.868 0.047 0.000 1.147 237 T HN 1.006 nan 8.240 nan 0.000 0.534 238 A N 0.489 123.338 122.820 0.049 0.000 2.070 238 A HA -0.015 4.297 4.320 -0.013 0.000 0.220 238 A C 2.444 180.056 177.584 0.047 0.000 1.159 238 A CA 1.696 53.762 52.037 0.048 0.000 0.656 238 A CB -1.258 17.768 19.000 0.043 0.000 0.800 238 A HN 0.992 nan 8.150 nan 0.000 0.453 239 S N -0.614 115.112 115.700 0.044 0.000 2.503 239 S HA 0.109 4.572 4.470 -0.013 0.000 0.217 239 S C 0.523 175.151 174.600 0.047 0.000 0.999 239 S CA -0.268 57.956 58.200 0.041 0.000 0.914 239 S CB -0.127 63.093 63.200 0.034 0.000 0.782 239 S HN 0.620 nan 8.310 nan 0.000 0.520 240 E N 1.634 121.868 120.200 0.056 0.000 2.408 240 E HA 0.468 4.810 4.350 -0.013 0.000 0.259 240 E C 0.182 176.832 176.600 0.083 0.000 1.110 240 E CA -0.125 56.316 56.400 0.069 0.000 0.929 240 E CB 0.521 30.265 29.700 0.073 0.000 0.971 240 E HN 0.485 nan 8.360 nan 0.000 0.438 241 A N 1.480 124.360 122.820 0.099 0.000 2.425 241 A HA 0.296 4.608 4.320 -0.013 0.000 0.242 241 A C 1.194 178.860 177.584 0.135 0.000 1.077 241 A CA 0.497 52.595 52.037 0.102 0.000 0.781 241 A CB 0.504 19.566 19.000 0.104 0.000 1.020 241 A HN 0.777 nan 8.150 nan 0.000 0.494 242 A N 2.124 125.013 122.820 0.116 0.000 1.908 242 A HA -0.054 4.259 4.320 -0.013 0.000 0.218 242 A C -0.210 177.519 177.584 0.242 0.000 1.181 242 A CA 2.130 54.254 52.037 0.146 0.000 0.627 242 A CB -1.736 17.323 19.000 0.098 0.000 0.818 242 A HN 0.629 nan 8.150 nan 0.000 0.445 243 P HA -0.123 nan 4.420 nan 0.000 0.218 243 P C 1.330 178.989 177.300 0.598 0.000 1.148 243 P CA 0.847 64.230 63.100 0.471 0.000 0.822 243 P CB -0.153 31.723 31.700 0.294 0.000 0.784 244 L N -1.111 120.384 121.223 0.453 0.000 2.141 244 L HA -0.189 4.143 4.340 -0.013 0.000 0.209 244 L C 2.626 179.597 176.870 0.169 0.000 1.094 244 L CA 1.474 56.464 54.840 0.249 0.000 0.763 244 L CB -0.951 41.210 42.059 0.171 0.000 0.908 244 L HN 0.020 nan 8.230 nan 0.000 0.437 245 Q N -0.823 119.093 119.800 0.193 0.000 2.016 245 Q HA -0.258 4.074 4.340 -0.013 0.000 0.200 245 Q C 2.192 178.296 176.000 0.173 0.000 0.978 245 Q CA 2.054 57.948 55.803 0.151 0.000 0.833 245 Q CB -0.461 28.366 28.738 0.147 0.000 0.895 245 Q HN 0.499 nan 8.270 nan 0.000 0.427 246 Y N 1.291 121.692 120.300 0.167 0.000 2.139 246 Y HA -0.291 4.251 4.550 -0.013 0.000 0.282 246 Y C 1.923 177.968 175.900 0.242 0.000 1.179 246 Y CA 1.447 59.672 58.100 0.208 0.000 1.161 246 Y CB -0.329 38.316 38.460 0.308 0.000 0.970 246 Y HN 0.106 nan 8.280 nan 0.000 0.511 247 L N 0.712 121.885 121.223 -0.084 0.000 2.109 247 L HA 0.060 4.393 4.340 -0.013 0.000 0.207 247 L C 2.593 179.422 176.870 -0.068 0.000 1.086 247 L CA 1.787 56.543 54.840 -0.140 0.000 0.760 247 L CB -1.286 40.764 42.059 -0.015 0.000 0.910 247 L HN 0.326 nan 8.230 nan 0.000 0.437 248 A N 0.331 123.114 122.820 -0.062 0.000 1.917 248 A HA -0.164 4.148 4.320 -0.013 0.000 0.219 248 A C -0.016 177.517 177.584 -0.086 0.000 1.182 248 A CA 2.140 54.142 52.037 -0.058 0.000 0.633 248 A CB -2.066 16.915 19.000 -0.032 0.000 0.819 248 A HN 0.420 nan 8.150 nan 0.000 0.448 249 P HA -0.116 nan 4.420 nan 0.000 0.216 249 P C 0.950 178.078 177.300 -0.286 0.000 1.150 249 P CA 1.029 63.955 63.100 -0.291 0.000 0.837 249 P CB -0.167 31.080 31.700 -0.756 0.000 0.786 250 F N -0.142 119.712 119.950 -0.159 0.000 2.128 250 F HA -0.131 4.388 4.527 -0.013 0.000 0.295 250 F C 2.478 178.241 175.800 -0.062 0.000 1.100 250 F CA 1.862 59.780 58.000 -0.136 0.000 1.260 250 F CB -2.101 36.767 39.000 -0.220 0.000 1.009 250 F HN -0.044 nan 8.300 nan 0.000 0.476 251 T N -1.817 112.801 114.554 0.106 0.000 2.867 251 T HA -0.058 4.284 4.350 -0.013 0.000 0.268 251 T C 2.114 176.847 174.700 0.056 0.000 1.057 251 T CA 0.904 63.036 62.100 0.053 0.000 1.136 251 T CB -0.788 68.079 68.868 -0.001 0.000 0.874 251 T HN 0.195 nan 8.240 nan 0.000 0.466 252 A N 1.695 124.550 122.820 0.058 0.000 1.969 252 A HA 0.416 4.728 4.320 -0.013 0.000 0.218 252 A C 2.777 180.422 177.584 0.101 0.000 1.169 252 A CA 1.556 53.635 52.037 0.069 0.000 0.635 252 A CB -1.255 17.782 19.000 0.061 0.000 0.810 252 A HN 0.717 nan 8.150 nan 0.000 0.445 253 A N -0.354 122.549 122.820 0.139 0.000 1.898 253 A HA -0.041 4.271 4.320 -0.013 0.000 0.216 253 A C 2.403 180.064 177.584 0.129 0.000 1.181 253 A CA 1.947 54.077 52.037 0.155 0.000 0.620 253 A CB -0.771 18.337 19.000 0.179 0.000 0.819 253 A HN 0.455 nan 8.150 nan 0.000 0.442 254 S N -0.001 115.765 115.700 0.111 0.000 2.383 254 S HA -0.081 4.381 4.470 -0.013 0.000 0.227 254 S C 1.740 176.407 174.600 0.112 0.000 1.026 254 S CA 1.383 59.642 58.200 0.098 0.000 0.981 254 S CB -0.471 62.772 63.200 0.071 0.000 0.818 254 S HN 0.555 nan 8.310 nan 0.000 0.472 255 I N 1.596 122.229 120.570 0.105 0.000 2.315 255 I HA -0.111 4.052 4.170 -0.013 0.000 0.248 255 I C 2.675 178.935 176.117 0.238 0.000 1.117 255 I CA 1.077 62.447 61.300 0.116 0.000 1.404 255 I CB -0.821 37.231 38.000 0.087 0.000 1.071 255 I HN 0.365 nan 8.210 nan 0.000 0.419 256 G N 0.411 109.347 108.800 0.226 0.000 2.404 256 G HA2 -0.213 3.740 3.960 -0.013 0.000 0.215 256 G HA3 -0.213 3.740 3.960 -0.013 0.000 0.215 256 G C 1.495 176.579 174.900 0.307 0.000 1.174 256 G CA 0.433 45.705 45.100 0.286 0.000 0.780 256 G HN 0.384 nan 8.290 nan 0.000 0.537 257 E N -0.681 119.636 120.200 0.194 0.000 2.209 257 E HA -0.185 4.157 4.350 -0.013 0.000 0.196 257 E C 1.917 178.578 176.600 0.101 0.000 0.993 257 E CA 0.708 57.186 56.400 0.130 0.000 0.819 257 E CB -0.203 29.550 29.700 0.088 0.000 0.745 257 E HN 0.680 nan 8.360 nan 0.000 0.477 258 W N 0.586 121.841 121.300 -0.075 0.000 2.335 258 W HA -0.248 4.404 4.660 -0.013 0.000 0.311 258 W C 1.530 177.890 176.519 -0.265 0.000 1.213 258 W CA 1.648 58.854 57.345 -0.233 0.000 1.274 258 W CB -0.380 28.835 29.460 -0.409 0.000 1.148 258 W HN -0.015 nan 8.180 nan 0.000 0.498 259 F N 0.338 120.380 119.950 0.153 0.000 2.102 259 F HA -0.168 4.351 4.527 -0.013 0.000 0.298 259 F C 2.750 178.425 175.800 -0.208 0.000 1.105 259 F CA 2.222 60.191 58.000 -0.053 0.000 1.239 259 F CB -1.424 37.635 39.000 0.099 0.000 0.991 259 F HN -0.191 nan 8.300 nan 0.000 0.474 260 R N 0.597 121.142 120.500 0.076 0.000 2.119 260 R HA -0.207 4.126 4.340 -0.013 0.000 0.246 260 R C 1.463 177.673 176.300 -0.150 0.000 1.146 260 R CA 2.208 58.283 56.100 -0.043 0.000 0.962 260 R CB -0.479 29.828 30.300 0.012 0.000 0.863 260 R HN 0.220 nan 8.270 nan 0.000 0.442 261 D N -0.375 119.896 120.400 -0.215 0.000 2.317 261 D HA -0.031 4.601 4.640 -0.013 0.000 0.211 261 D C 0.425 176.516 176.300 -0.348 0.000 0.966 261 D CA 0.721 54.571 54.000 -0.250 0.000 0.876 261 D CB -0.034 40.618 40.800 -0.245 0.000 0.927 261 D HN 0.274 nan 8.370 nan 0.000 0.519 262 N N 0.007 118.404 118.700 -0.506 0.000 2.380 262 N HA 0.171 4.903 4.740 -0.013 0.000 0.255 262 N C 0.707 176.011 175.510 -0.343 0.000 1.158 262 N CA 0.115 52.835 53.050 -0.550 0.000 0.878 262 N CB 1.472 39.315 38.487 -1.073 0.000 1.138 262 N HN 0.064 nan 8.380 nan 0.000 0.509 263 G N 1.267 109.913 108.800 -0.257 0.000 2.160 263 G HA2 -0.301 3.651 3.960 -0.013 0.000 0.251 263 G HA3 -0.301 3.651 3.960 -0.013 0.000 0.251 263 G C 0.130 174.904 174.900 -0.210 0.000 1.008 263 G CA 0.609 45.591 45.100 -0.196 0.000 0.724 263 G HN 0.344 nan 8.290 nan 0.000 0.514 264 K N -0.882 119.381 120.400 -0.228 0.000 2.279 264 K HA 0.739 5.051 4.320 -0.013 0.000 0.238 264 K C -0.428 175.974 176.600 -0.330 0.000 1.084 264 K CA -1.041 55.175 56.287 -0.118 0.000 0.885 264 K CB 1.209 33.850 32.500 0.235 0.000 1.319 264 K HN 0.299 nan 8.250 nan 0.000 0.494 265 H N -0.393 118.789 119.070 0.186 0.000 2.689 265 H HA 0.505 5.053 4.556 -0.013 0.000 0.346 265 H C -1.199 174.179 175.328 0.083 0.000 1.037 265 H CA -0.815 55.290 56.048 0.094 0.000 1.234 265 H CB 1.940 31.700 29.762 -0.003 0.000 1.572 265 H HN 0.662 nan 8.280 nan 0.000 0.524 266 A N 3.076 125.986 122.820 0.150 0.000 2.356 266 A HA 0.556 4.868 4.320 -0.013 0.000 0.323 266 A C -1.087 176.519 177.584 0.036 0.000 1.119 266 A CA -0.693 51.372 52.037 0.047 0.000 0.790 266 A CB 1.715 20.757 19.000 0.069 0.000 1.273 266 A HN 0.477 nan 8.150 nan 0.000 0.452 267 L N 1.795 123.018 121.223 0.000 0.000 2.329 267 L HA 0.812 5.144 4.340 -0.013 0.000 0.279 267 L C -0.890 175.948 176.870 -0.053 0.000 1.014 267 L CA -0.491 54.336 54.840 -0.021 0.000 0.814 267 L CB 1.347 43.398 42.059 -0.013 0.000 1.257 267 L HN 0.661 nan 8.230 nan 0.000 0.424 268 I N 4.981 125.471 120.570 -0.132 0.000 2.499 268 I HA 0.535 4.698 4.170 -0.013 0.000 0.288 268 I C -1.399 174.464 176.117 -0.422 0.000 1.048 268 I CA -0.614 60.513 61.300 -0.290 0.000 1.062 268 I CB 1.848 39.610 38.000 -0.396 0.000 1.238 268 I HN 0.374 nan 8.210 nan 0.000 0.426 269 V N 7.989 127.686 119.914 -0.360 0.000 2.370 269 V HA 0.322 4.434 4.120 -0.013 0.000 0.283 269 V C -1.031 174.787 176.094 -0.459 0.000 1.023 269 V CA -0.443 61.679 62.300 -0.296 0.000 0.857 269 V CB 1.026 32.833 31.823 -0.028 0.000 0.985 269 V HN 0.485 nan 8.190 nan 0.000 0.443 270 Y N 2.375 122.560 120.300 -0.191 0.000 2.504 270 Y HA 0.452 4.994 4.550 -0.013 0.000 0.339 270 Y C 0.272 176.027 175.900 -0.242 0.000 0.974 270 Y CA -0.995 56.958 58.100 -0.245 0.000 1.232 270 Y CB 0.787 39.114 38.460 -0.221 0.000 1.108 270 Y HN 0.539 nan 8.280 nan 0.000 0.509 271 D N 3.594 123.871 120.400 -0.206 0.000 2.477 271 D HA 0.211 4.843 4.640 -0.013 0.000 0.239 271 D C -1.203 175.035 176.300 -0.103 0.000 1.102 271 D CA -0.364 53.539 54.000 -0.161 0.000 0.901 271 D CB 0.293 40.945 40.800 -0.247 0.000 1.026 271 D HN 0.689 nan 8.370 nan 0.000 0.515 272 D N 0.334 120.707 120.400 -0.045 0.000 2.552 272 D HA 0.228 4.860 4.640 -0.013 0.000 0.239 272 D C 0.925 177.198 176.300 -0.046 0.000 1.139 272 D CA -0.737 53.240 54.000 -0.039 0.000 0.914 272 D CB 1.149 41.935 40.800 -0.023 0.000 1.461 272 D HN 0.058 nan 8.370 nan 0.000 0.462 273 L N 0.307 121.469 121.223 -0.102 0.000 2.291 273 L HA -0.046 4.286 4.340 -0.013 0.000 0.214 273 L C 1.899 178.765 176.870 -0.007 0.000 1.120 273 L CA 0.562 55.309 54.840 -0.155 0.000 0.799 273 L CB -0.408 41.317 42.059 -0.557 0.000 0.925 273 L HN 0.455 nan 8.230 nan 0.000 0.446 274 S N 0.217 115.915 115.700 -0.003 0.000 2.370 274 S HA -0.190 4.272 4.470 -0.013 0.000 0.226 274 S C 1.978 176.649 174.600 0.117 0.000 1.033 274 S CA 1.451 59.691 58.200 0.066 0.000 1.011 274 S CB -0.038 63.190 63.200 0.047 0.000 0.852 274 S HN 0.396 nan 8.310 nan 0.000 0.457 275 K N 0.711 121.162 120.400 0.086 0.000 2.167 275 K HA 0.022 4.334 4.320 -0.013 0.000 0.203 275 K C 2.405 179.080 176.600 0.126 0.000 1.052 275 K CA 0.509 56.855 56.287 0.099 0.000 0.956 275 K CB -0.106 32.434 32.500 0.066 0.000 0.735 275 K HN 0.328 nan 8.250 nan 0.000 0.451 276 Q N 0.553 120.422 119.800 0.115 0.000 2.096 276 Q HA -0.161 4.172 4.340 -0.013 0.000 0.204 276 Q C 1.938 178.073 176.000 0.224 0.000 0.982 276 Q CA 1.666 57.556 55.803 0.145 0.000 0.850 276 Q CB -0.041 28.748 28.738 0.086 0.000 0.901 276 Q HN 0.332 nan 8.270 nan 0.000 0.422 277 A N -0.426 122.539 122.820 0.243 0.000 2.014 277 A HA -0.053 4.259 4.320 -0.013 0.000 0.218 277 A C 2.126 179.968 177.584 0.429 0.000 1.163 277 A CA 0.851 53.053 52.037 0.274 0.000 0.652 277 A CB -0.310 18.794 19.000 0.173 0.000 0.808 277 A HN 0.280 nan 8.150 nan 0.000 0.449 278 V N -0.205 119.912 119.914 0.337 0.000 2.427 278 V HA -0.222 3.890 4.120 -0.013 0.000 0.248 278 V C 3.024 179.228 176.094 0.184 0.000 1.051 278 V CA 1.840 64.290 62.300 0.251 0.000 1.048 278 V CB -0.893 31.034 31.823 0.174 0.000 0.666 278 V HN 0.601 nan 8.190 nan 0.000 0.456 279 A N -1.091 121.850 122.820 0.202 0.000 1.898 279 A HA -0.261 4.052 4.320 -0.013 0.000 0.216 279 A C 2.156 179.869 177.584 0.215 0.000 1.181 279 A CA 1.955 54.106 52.037 0.191 0.000 0.620 279 A CB -0.770 18.361 19.000 0.218 0.000 0.819 279 A HN 0.601 nan 8.150 nan 0.000 0.442 280 Y N 0.447 120.831 120.300 0.141 0.000 2.224 280 Y HA -0.163 4.380 4.550 -0.013 0.000 0.289 280 Y C 2.464 178.392 175.900 0.047 0.000 1.146 280 Y CA 1.854 59.996 58.100 0.071 0.000 1.182 280 Y CB -0.326 38.202 38.460 0.113 0.000 0.983 280 Y HN 0.351 nan 8.280 nan 0.000 0.524 281 R N 0.167 120.735 120.500 0.113 0.000 2.115 281 R HA -0.200 4.133 4.340 -0.013 0.000 0.230 281 R C 2.364 178.599 176.300 -0.109 0.000 1.111 281 R CA 1.566 57.648 56.100 -0.030 0.000 0.976 281 R CB -0.292 29.969 30.300 -0.064 0.000 0.870 281 R HN 0.529 nan 8.270 nan 0.000 0.445 282 Q N 0.606 120.371 119.800 -0.058 0.000 2.020 282 Q HA -0.171 4.161 4.340 -0.013 0.000 0.202 282 Q C 2.146 178.081 176.000 -0.108 0.000 0.982 282 Q CA 1.695 57.461 55.803 -0.062 0.000 0.838 282 Q CB -0.084 28.647 28.738 -0.012 0.000 0.899 282 Q HN 0.432 nan 8.270 nan 0.000 0.423 283 L N 0.283 121.416 121.223 -0.150 0.000 2.012 283 L HA -0.201 4.131 4.340 -0.013 0.000 0.210 283 L C 2.616 179.334 176.870 -0.254 0.000 1.073 283 L CA 1.394 56.111 54.840 -0.205 0.000 0.748 283 L CB -0.468 41.423 42.059 -0.282 0.000 0.891 283 L HN 0.193 nan 8.230 nan 0.000 0.431 284 S N 0.115 115.597 115.700 -0.363 0.000 2.368 284 S HA -0.126 4.337 4.470 -0.013 0.000 0.225 284 S C 1.978 176.472 174.600 -0.177 0.000 1.030 284 S CA 1.243 59.252 58.200 -0.318 0.000 0.999 284 S CB -0.329 62.642 63.200 -0.381 0.000 0.844 284 S HN 0.275 nan 8.310 nan 0.000 0.459 285 L N 0.952 122.087 121.223 -0.146 0.000 2.109 285 L HA 0.004 4.336 4.340 -0.013 0.000 0.207 285 L C 2.140 178.959 176.870 -0.085 0.000 1.086 285 L CA 0.820 55.601 54.840 -0.099 0.000 0.760 285 L CB -0.519 41.486 42.059 -0.090 0.000 0.910 285 L HN 0.264 nan 8.230 nan 0.000 0.437 286 L N -0.635 120.532 121.223 -0.092 0.000 2.141 286 L HA -0.182 4.151 4.340 -0.013 0.000 0.209 286 L C 2.174 178.999 176.870 -0.074 0.000 1.094 286 L CA 0.983 55.778 54.840 -0.075 0.000 0.763 286 L CB -0.305 41.710 42.059 -0.073 0.000 0.908 286 L HN 0.285 nan 8.230 nan 0.000 0.437 287 L N -0.634 120.533 121.223 -0.092 0.000 2.554 287 L HA 0.041 4.373 4.340 -0.013 0.000 0.226 287 L C 0.811 177.643 176.870 -0.064 0.000 1.137 287 L CA 0.214 55.006 54.840 -0.081 0.000 0.863 287 L CB -0.124 41.873 42.059 -0.103 0.000 0.985 287 L HN 0.252 nan 8.230 nan 0.000 0.451 288 R N -0.783 119.679 120.500 -0.064 0.000 3.774 288 R HA -0.121 4.212 4.340 -0.013 0.000 0.320 288 R C -0.370 175.904 176.300 -0.044 0.000 1.175 288 R CA 0.134 56.204 56.100 -0.049 0.000 0.849 288 R CB -1.665 28.614 30.300 -0.036 0.000 1.365 288 R HN 0.214 nan 8.270 nan 0.000 0.502 289 R N 1.249 121.715 120.500 -0.056 0.000 2.537 289 R HA 0.122 4.454 4.340 -0.013 0.000 0.280 289 R C -2.093 174.192 176.300 -0.026 0.000 1.058 289 R CA -1.874 54.203 56.100 -0.039 0.000 1.057 289 R CB -0.210 30.059 30.300 -0.053 0.000 0.973 289 R HN -0.048 nan 8.270 nan 0.000 0.438 290 P HA 0.009 nan 4.420 nan 0.000 0.260 290 P C -2.122 175.181 177.300 0.005 0.000 1.185 290 P CA -0.537 62.561 63.100 -0.003 0.000 0.763 290 P CB -0.017 31.686 31.700 0.006 0.000 0.776 291 P HA 0.118 nan 4.420 nan 0.000 0.276 291 P C 0.355 177.663 177.300 0.014 0.000 1.235 291 P CA 0.199 63.300 63.100 0.001 0.000 0.772 291 P CB 1.197 32.882 31.700 -0.025 0.000 0.871 292 G N 3.467 112.294 108.800 0.045 0.000 3.075 292 G HA2 0.246 4.198 3.960 -0.013 0.000 0.156 292 G HA3 0.246 4.198 3.960 -0.013 0.000 0.156 292 G C -0.260 174.630 174.900 -0.017 0.000 1.403 292 G CA -0.800 44.309 45.100 0.016 0.000 1.033 292 G HN 0.411 nan 8.290 nan 0.000 0.589 293 R N 0.826 121.253 120.500 -0.121 0.000 2.502 293 R HA 0.146 4.478 4.340 -0.013 0.000 0.292 293 R C 0.044 176.374 176.300 0.050 0.000 0.998 293 R CA 0.713 56.702 56.100 -0.186 0.000 1.056 293 R CB -0.115 29.785 30.300 -0.667 0.000 0.939 293 R HN 0.688 nan 8.270 nan 0.000 0.411 294 E N 2.256 122.490 120.200 0.056 0.000 2.722 294 E HA -0.337 4.006 4.350 -0.013 0.000 0.265 294 E C 0.230 176.812 176.600 -0.030 0.000 1.081 294 E CA 0.434 56.892 56.400 0.097 0.000 0.781 294 E CB -1.042 28.829 29.700 0.284 0.000 1.372 294 E HN 0.894 nan 8.360 nan 0.000 0.423 295 A N -2.227 120.574 122.820 -0.032 0.000 2.861 295 A HA -0.308 4.004 4.320 -0.013 0.000 0.261 295 A C 0.088 177.595 177.584 -0.127 0.000 1.351 295 A CA 1.834 53.818 52.037 -0.089 0.000 0.904 295 A CB -2.133 16.787 19.000 -0.132 0.000 1.076 295 A HN 0.453 nan 8.150 nan 0.000 0.729 296 Y N 0.224 120.596 120.300 0.119 0.000 2.314 296 Y HA 0.457 4.999 4.550 -0.013 0.000 0.334 296 Y C -1.296 174.695 175.900 0.150 0.000 1.266 296 Y CA -1.255 56.948 58.100 0.173 0.000 1.391 296 Y CB 0.312 38.962 38.460 0.317 0.000 1.306 296 Y HN 0.244 nan 8.280 nan 0.000 0.558 297 P HA 0.063 nan 4.420 nan 0.000 0.277 297 P C 0.563 178.032 177.300 0.282 0.000 1.240 297 P CA -0.129 63.098 63.100 0.212 0.000 0.798 297 P CB 1.114 32.894 31.700 0.133 0.000 0.979 298 G N 2.106 111.031 108.800 0.209 0.000 2.532 298 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.222 298 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.222 298 G C 0.701 175.756 174.900 0.259 0.000 1.102 298 G CA 0.863 46.090 45.100 0.212 0.000 0.742 298 G HN 0.667 nan 8.290 nan 0.000 0.577 299 D N -0.058 120.515 120.400 0.288 0.000 2.525 299 D HA 0.121 4.754 4.640 -0.013 0.000 0.229 299 D C 1.635 178.120 176.300 0.308 0.000 1.202 299 D CA -0.372 53.824 54.000 0.326 0.000 0.828 299 D CB 0.194 41.199 40.800 0.342 0.000 1.008 299 D HN 0.125 nan 8.370 nan 0.000 0.493 300 V N -0.231 119.845 119.914 0.271 0.000 2.591 300 V HA -0.051 4.061 4.120 -0.013 0.000 0.249 300 V C 1.777 177.822 176.094 -0.083 0.000 1.053 300 V CA 0.881 63.233 62.300 0.087 0.000 1.068 300 V CB -0.721 31.164 31.823 0.103 0.000 0.689 300 V HN 0.210 nan 8.190 nan 0.000 0.462 301 F N 0.416 120.314 119.950 -0.086 0.000 2.069 301 F HA -0.257 4.263 4.527 -0.013 0.000 0.298 301 F C 2.208 178.031 175.800 0.038 0.000 1.113 301 F CA 2.572 60.539 58.000 -0.055 0.000 1.214 301 F CB -0.814 38.185 39.000 -0.002 0.000 0.978 301 F HN 0.343 nan 8.300 nan 0.000 0.474 302 Y N 0.870 121.131 120.300 -0.064 0.000 2.193 302 Y HA -0.260 4.282 4.550 -0.013 0.000 0.285 302 Y C 2.213 177.993 175.900 -0.200 0.000 1.166 302 Y CA 1.758 59.772 58.100 -0.144 0.000 1.181 302 Y CB -1.072 37.415 38.460 0.045 0.000 0.976 302 Y HN 0.289 nan 8.280 nan 0.000 0.520 303 L N -0.213 120.822 121.223 -0.313 0.000 2.013 303 L HA -0.282 4.051 4.340 -0.013 0.000 0.212 303 L C 2.251 178.918 176.870 -0.338 0.000 1.073 303 L CA 2.511 57.101 54.840 -0.415 0.000 0.753 303 L CB -0.897 40.801 42.059 -0.601 0.000 0.890 303 L HN 0.375 nan 8.230 nan 0.000 0.432 304 H N -1.635 117.238 119.070 -0.328 0.000 2.372 304 H HA -0.054 4.494 4.556 -0.013 0.000 0.301 304 H C 2.422 177.517 175.328 -0.388 0.000 1.065 304 H CA 0.997 56.823 56.048 -0.371 0.000 1.364 304 H CB -0.039 29.522 29.762 -0.334 0.000 1.406 304 H HN 0.559 nan 8.280 nan 0.000 0.521 305 S N 1.815 117.267 115.700 -0.413 0.000 2.353 305 S HA -0.287 4.175 4.470 -0.013 0.000 0.222 305 S C 2.164 176.660 174.600 -0.174 0.000 1.035 305 S CA 1.492 59.455 58.200 -0.395 0.000 1.025 305 S CB -0.400 62.395 63.200 -0.674 0.000 0.902 305 S HN 0.564 nan 8.310 nan 0.000 0.440 306 R N 0.996 121.389 120.500 -0.178 0.000 2.127 306 R HA -0.040 4.293 4.340 -0.013 0.000 0.238 306 R C 2.364 178.646 176.300 -0.031 0.000 1.134 306 R CA 1.501 57.540 56.100 -0.102 0.000 0.975 306 R CB -0.806 29.338 30.300 -0.261 0.000 0.865 306 R HN 0.491 nan 8.270 nan 0.000 0.447 307 L N 1.252 122.451 121.223 -0.040 0.000 2.005 307 L HA -0.047 4.286 4.340 -0.013 0.000 0.207 307 L C 2.230 179.047 176.870 -0.089 0.000 1.072 307 L CA 1.616 56.402 54.840 -0.091 0.000 0.744 307 L CB -0.334 41.465 42.059 -0.435 0.000 0.895 307 L HN 0.224 nan 8.230 nan 0.000 0.433 308 L N -0.553 120.603 121.223 -0.111 0.000 2.217 308 L HA -0.090 4.242 4.340 -0.013 0.000 0.211 308 L C 2.450 179.325 176.870 0.008 0.000 1.107 308 L CA 0.630 55.448 54.840 -0.036 0.000 0.783 308 L CB -0.625 41.396 42.059 -0.063 0.000 0.919 308 L HN 0.329 nan 8.230 nan 0.000 0.442 309 E N 0.490 120.689 120.200 -0.001 0.000 2.333 309 E HA -0.198 4.144 4.350 -0.013 0.000 0.198 309 E C 2.038 178.660 176.600 0.038 0.000 1.007 309 E CA 0.785 57.199 56.400 0.024 0.000 0.845 309 E CB -0.011 29.707 29.700 0.029 0.000 0.766 309 E HN 0.526 nan 8.360 nan 0.000 0.507 310 R N 0.438 120.965 120.500 0.046 0.000 2.276 310 R HA 0.084 4.417 4.340 -0.013 0.000 0.203 310 R C 0.865 177.202 176.300 0.062 0.000 1.017 310 R CA 0.339 56.474 56.100 0.058 0.000 1.010 310 R CB 0.140 30.485 30.300 0.074 0.000 0.900 310 R HN -0.082 nan 8.270 nan 0.000 0.469 311 A N 1.346 124.204 122.820 0.065 0.000 2.354 311 A HA 0.649 4.961 4.320 -0.013 0.000 0.281 311 A C -0.274 177.338 177.584 0.046 0.000 1.174 311 A CA -0.141 51.932 52.037 0.059 0.000 0.828 311 A CB 0.464 19.502 19.000 0.063 0.000 1.099 311 A HN 0.275 nan 8.150 nan 0.000 0.516 312 A N 2.468 125.313 122.820 0.042 0.000 2.612 312 A HA 0.703 5.015 4.320 -0.013 0.000 0.293 312 A C -0.818 176.789 177.584 0.038 0.000 1.075 312 A CA -0.780 51.280 52.037 0.037 0.000 0.680 312 A CB 1.127 20.146 19.000 0.033 0.000 1.279 312 A HN 0.812 nan 8.150 nan 0.000 0.411 313 K N 1.698 122.123 120.400 0.041 0.000 2.281 313 K HA 0.648 4.960 4.320 -0.013 0.000 0.272 313 K C -1.052 175.573 176.600 0.043 0.000 1.048 313 K CA -0.210 56.108 56.287 0.050 0.000 0.898 313 K CB 0.105 32.642 32.500 0.063 0.000 1.128 313 K HN 0.583 nan 8.250 nan 0.000 0.460 314 L N 3.051 124.290 121.223 0.027 0.000 2.418 314 L HA 0.286 4.619 4.340 -0.013 0.000 0.265 314 L C 0.788 177.673 176.870 0.026 0.000 1.143 314 L CA -0.640 54.208 54.840 0.013 0.000 0.809 314 L CB 1.157 43.206 42.059 -0.015 0.000 1.124 314 L HN 0.876 nan 8.230 nan 0.000 0.456 315 S N 0.314 116.024 115.700 0.017 0.000 2.598 315 S HA -0.000 4.462 4.470 -0.013 0.000 0.256 315 S C 0.854 175.461 174.600 0.013 0.000 1.350 315 S CA -0.300 57.911 58.200 0.017 0.000 0.984 315 S CB 0.694 63.898 63.200 0.007 0.000 0.930 315 S HN 0.710 nan 8.310 nan 0.000 0.577 316 E N 0.336 120.543 120.200 0.012 0.000 2.110 316 E HA -0.154 4.188 4.350 -0.013 0.000 0.193 316 E C 2.021 178.618 176.600 -0.005 0.000 0.988 316 E CA 1.003 57.408 56.400 0.007 0.000 0.804 316 E CB -0.138 29.565 29.700 0.005 0.000 0.745 316 E HN 0.707 nan 8.360 nan 0.000 0.458 317 K N 0.675 121.070 120.400 -0.007 0.000 2.097 317 K HA -0.145 4.168 4.320 -0.013 0.000 0.206 317 K C 1.299 177.887 176.600 -0.021 0.000 1.049 317 K CA 1.039 57.319 56.287 -0.013 0.000 0.933 317 K CB 0.252 32.746 32.500 -0.010 0.000 0.717 317 K HN -0.054 nan 8.250 nan 0.000 0.442 318 E N -0.824 119.363 120.200 -0.022 0.000 2.465 318 E HA 0.054 4.397 4.350 -0.013 0.000 0.191 318 E C 0.812 177.380 176.600 -0.053 0.000 1.053 318 E CA 0.639 57.018 56.400 -0.036 0.000 0.869 318 E CB 0.905 30.587 29.700 -0.030 0.000 0.977 318 E HN 0.577 nan 8.360 nan 0.000 0.483 319 G N 0.677 109.449 108.800 -0.046 0.000 2.176 319 G HA2 -0.334 3.619 3.960 -0.013 0.000 0.232 319 G HA3 -0.334 3.619 3.960 -0.013 0.000 0.232 319 G C 0.674 175.539 174.900 -0.058 0.000 0.986 319 G CA 0.335 45.399 45.100 -0.060 0.000 0.643 319 G HN 0.145 nan 8.290 nan 0.000 0.522 320 S N -1.506 114.173 115.700 -0.036 0.000 3.084 320 S HA -0.169 4.293 4.470 -0.013 0.000 0.277 320 S C 1.802 176.358 174.600 -0.073 0.000 1.295 320 S CA 1.590 59.787 58.200 -0.006 0.000 1.170 320 S CB -1.474 61.751 63.200 0.043 0.000 1.412 320 S HN 2.265 nan 8.310 nan 0.000 0.669 321 G N 1.263 109.963 108.800 -0.168 0.000 2.699 321 G HA2 0.463 4.416 3.960 -0.013 0.000 0.246 321 G HA3 0.463 4.416 3.960 -0.013 0.000 0.246 321 G C -0.018 174.783 174.900 -0.164 0.000 1.219 321 G CA 0.529 45.442 45.100 -0.312 0.000 0.866 321 G HN 1.341 nan 8.290 nan 0.000 0.572 322 S N -1.091 114.526 115.700 -0.139 0.000 2.550 322 S HA 0.602 5.064 4.470 -0.013 0.000 0.270 322 S C -1.353 173.289 174.600 0.071 0.000 1.145 322 S CA -0.881 57.348 58.200 0.048 0.000 0.852 322 S CB 1.982 65.287 63.200 0.174 0.000 1.119 322 S HN 1.083 nan 8.310 nan 0.000 0.465 323 L N 1.764 123.026 121.223 0.065 0.000 2.372 323 L HA 0.703 5.035 4.340 -0.013 0.000 0.274 323 L C -0.778 176.118 176.870 0.043 0.000 0.988 323 L CA 0.214 55.093 54.840 0.066 0.000 0.833 323 L CB 1.863 43.964 42.059 0.071 0.000 1.236 323 L HN 0.919 nan 8.230 nan 0.000 0.410 324 T N 4.140 118.709 114.554 0.025 0.000 2.829 324 T HA 0.808 5.150 4.350 -0.013 0.000 0.282 324 T C -0.268 174.418 174.700 -0.024 0.000 0.990 324 T CA -0.282 61.820 62.100 0.003 0.000 1.028 324 T CB 1.466 70.327 68.868 -0.011 0.000 0.951 324 T HN 0.765 nan 8.240 nan 0.000 0.460 325 A N 3.330 126.141 122.820 -0.016 0.000 2.318 325 A HA 0.709 5.022 4.320 -0.013 0.000 0.317 325 A C -0.375 177.192 177.584 -0.028 0.000 1.159 325 A CA -0.724 51.289 52.037 -0.040 0.000 0.799 325 A CB 0.430 19.469 19.000 0.066 0.000 1.194 325 A HN 0.876 nan 8.150 nan 0.000 0.479 326 L N 4.945 126.126 121.223 -0.072 0.000 2.504 326 L HA 0.310 4.642 4.340 -0.013 0.000 0.249 326 L C -2.210 174.652 176.870 -0.013 0.000 1.120 326 L CA -1.748 53.074 54.840 -0.030 0.000 0.997 326 L CB 1.055 43.099 42.059 -0.026 0.000 1.349 326 L HN 0.494 nan 8.230 nan 0.000 0.439 327 P HA 0.126 nan 4.420 nan 0.000 0.272 327 P C -0.469 176.832 177.300 0.000 0.000 1.223 327 P CA -0.109 63.037 63.100 0.077 0.000 0.784 327 P CB 1.886 33.604 31.700 0.031 0.000 0.923 328 V N 3.724 123.627 119.914 -0.018 0.000 2.581 328 V HA 0.451 4.564 4.120 -0.013 0.000 0.303 328 V C 0.382 176.445 176.094 -0.052 0.000 1.041 328 V CA -0.621 61.663 62.300 -0.028 0.000 0.907 328 V CB 1.802 33.614 31.823 -0.018 0.000 0.994 328 V HN 0.432 nan 8.190 nan 0.000 0.442 329 I N 2.996 123.543 120.570 -0.038 0.000 2.582 329 I HA 0.447 4.609 4.170 -0.013 0.000 0.292 329 I C -0.242 175.869 176.117 -0.010 0.000 1.066 329 I CA -0.396 60.883 61.300 -0.035 0.000 1.053 329 I CB 2.277 40.255 38.000 -0.037 0.000 1.241 329 I HN 0.781 nan 8.210 nan 0.000 0.421 330 E N 4.535 124.737 120.200 0.003 0.000 2.134 330 E HA 0.412 4.754 4.350 -0.013 0.000 0.278 330 E C -0.517 176.104 176.600 0.036 0.000 0.959 330 E CA -0.394 56.010 56.400 0.007 0.000 0.783 330 E CB 1.305 31.010 29.700 0.008 0.000 1.095 330 E HN 0.697 nan 8.360 nan 0.000 0.399 331 T N 2.015 116.595 114.554 0.043 0.000 2.824 331 T HA 0.293 4.635 4.350 -0.013 0.000 0.277 331 T C 0.005 174.742 174.700 0.061 0.000 0.975 331 T CA -0.923 61.223 62.100 0.077 0.000 0.966 331 T CB 1.197 70.145 68.868 0.134 0.000 1.054 331 T HN 0.346 nan 8.240 nan 0.000 0.533 332 Q N 0.262 120.107 119.800 0.075 0.000 2.339 332 Q HA 0.485 4.817 4.340 -0.013 0.000 0.268 332 Q C 0.760 176.800 176.000 0.067 0.000 1.027 332 Q CA 0.043 55.883 55.803 0.063 0.000 0.759 332 Q CB 1.188 29.967 28.738 0.068 0.000 1.244 332 Q HN 1.289 nan 8.270 nan 0.000 0.464 333 G N 1.710 110.543 108.800 0.056 0.000 2.198 333 G HA2 -0.256 3.696 3.960 -0.013 0.000 0.260 333 G HA3 -0.256 3.696 3.960 -0.013 0.000 0.260 333 G C 0.763 175.715 174.900 0.087 0.000 1.025 333 G CA 0.708 45.843 45.100 0.058 0.000 0.769 333 G HN 1.294 nan 8.290 nan 0.000 0.507 334 G N -0.770 108.102 108.800 0.120 0.000 2.203 334 G HA2 -0.201 3.752 3.960 -0.013 0.000 0.263 334 G HA3 -0.201 3.752 3.960 -0.013 0.000 0.263 334 G C 0.145 175.175 174.900 0.215 0.000 1.012 334 G CA 1.068 46.307 45.100 0.232 0.000 0.749 334 G HN 1.499 nan 8.290 nan 0.000 0.512 335 D N 0.095 120.579 120.400 0.141 0.000 2.393 335 D HA 0.426 5.058 4.640 -0.013 0.000 0.232 335 D C 1.660 178.019 176.300 0.099 0.000 1.192 335 D CA 0.152 54.209 54.000 0.095 0.000 0.882 335 D CB 0.899 41.745 40.800 0.077 0.000 1.038 335 D HN 0.492 nan 8.370 nan 0.000 0.499 336 V N 1.252 121.198 119.914 0.054 0.000 3.406 336 V HA 0.041 4.154 4.120 -0.013 0.000 0.263 336 V C 1.569 177.682 176.094 0.032 0.000 1.172 336 V CA 0.472 62.796 62.300 0.039 0.000 1.140 336 V CB -0.193 31.588 31.823 -0.070 0.000 0.784 336 V HN 0.338 nan 8.190 nan 0.000 0.467 337 S N 1.111 116.829 115.700 0.030 0.000 2.607 337 S HA 0.453 4.916 4.470 -0.013 0.000 0.224 337 S C 1.174 175.819 174.600 0.075 0.000 0.969 337 S CA 0.534 58.759 58.200 0.040 0.000 0.927 337 S CB -0.344 62.873 63.200 0.028 0.000 0.772 337 S HN 0.871 nan 8.310 nan 0.000 0.533 338 A N 0.490 123.365 122.820 0.091 0.000 2.351 338 A HA 0.434 4.746 4.320 -0.013 0.000 0.257 338 A C 0.876 178.568 177.584 0.180 0.000 1.087 338 A CA -0.438 51.677 52.037 0.131 0.000 0.798 338 A CB -0.070 19.006 19.000 0.127 0.000 1.033 338 A HN 0.257 nan 8.150 nan 0.000 0.488 339 Y N 1.613 121.942 120.300 0.048 0.000 1.967 339 Y HA -0.311 4.231 4.550 -0.013 0.000 0.260 339 Y C 1.995 177.901 175.900 0.009 0.000 1.181 339 Y CA 2.647 60.766 58.100 0.032 0.000 1.097 339 Y CB -0.311 38.175 38.460 0.044 0.000 0.934 339 Y HN 0.543 nan 8.280 nan 0.000 0.492 340 I N 0.185 120.704 120.570 -0.085 0.000 2.179 340 I HA -0.216 3.946 4.170 -0.013 0.000 0.242 340 I C -0.341 175.732 176.117 -0.074 0.000 1.088 340 I CA 1.557 62.731 61.300 -0.210 0.000 1.357 340 I CB -2.897 34.988 38.000 -0.191 0.000 1.051 340 I HN 0.201 nan 8.210 nan 0.000 0.409 341 P HA -0.166 nan 4.420 nan 0.000 0.214 341 P C 1.861 179.176 177.300 0.025 0.000 1.163 341 P CA 2.650 65.764 63.100 0.024 0.000 0.889 341 P CB -0.336 31.402 31.700 0.063 0.000 0.790 342 T N -3.924 110.653 114.554 0.039 0.000 2.867 342 T HA -0.100 4.243 4.350 -0.013 0.000 0.268 342 T C 1.698 176.431 174.700 0.054 0.000 1.057 342 T CA 1.151 63.279 62.100 0.048 0.000 1.136 342 T CB -1.103 67.805 68.868 0.066 0.000 0.874 342 T HN -0.047 nan 8.240 nan 0.000 0.466 343 N N 1.622 120.335 118.700 0.022 0.000 2.043 343 N HA -0.064 4.669 4.740 -0.013 0.000 0.193 343 N C 1.962 177.564 175.510 0.154 0.000 1.037 343 N CA 1.395 54.523 53.050 0.129 0.000 0.851 343 N CB -0.875 37.654 38.487 0.070 0.000 1.027 343 N HN 0.363 nan 8.380 nan 0.000 0.422 344 V N 1.370 121.309 119.914 0.041 0.000 2.515 344 V HA -0.097 4.015 4.120 -0.013 0.000 0.250 344 V C 2.211 178.318 176.094 0.022 0.000 1.058 344 V CA 0.895 63.188 62.300 -0.012 0.000 1.064 344 V CB -0.427 31.324 31.823 -0.121 0.000 0.675 344 V HN 0.231 nan 8.190 nan 0.000 0.461 345 I N 1.392 121.986 120.570 0.039 0.000 2.286 345 I HA -0.198 3.965 4.170 -0.013 0.000 0.248 345 I C 2.335 178.491 176.117 0.065 0.000 1.115 345 I CA 1.880 63.206 61.300 0.044 0.000 1.392 345 I CB -0.332 37.691 38.000 0.037 0.000 1.065 345 I HN 0.476 nan 8.210 nan 0.000 0.418 346 S N -0.297 115.463 115.700 0.100 0.000 2.701 346 S HA 0.165 4.628 4.470 -0.013 0.000 0.220 346 S C 1.337 176.052 174.600 0.193 0.000 0.954 346 S CA 0.175 58.455 58.200 0.134 0.000 0.936 346 S CB -0.366 62.915 63.200 0.135 0.000 0.777 346 S HN 0.417 nan 8.310 nan 0.000 0.518 347 I N 1.163 121.814 120.570 0.136 0.000 3.366 347 I HA 0.073 4.235 4.170 -0.013 0.000 0.267 347 I C 1.388 177.533 176.117 0.047 0.000 1.149 347 I CA 0.467 61.820 61.300 0.087 0.000 1.436 347 I CB -0.292 37.708 38.000 -0.001 0.000 1.379 347 I HN 0.300 nan 8.210 nan 0.000 0.460 348 T N -1.131 113.441 114.554 0.030 0.000 2.698 348 T HA 0.074 4.416 4.350 -0.013 0.000 0.295 348 T C 0.110 174.830 174.700 0.034 0.000 1.007 348 T CA -0.299 61.816 62.100 0.024 0.000 0.980 348 T CB 0.473 69.350 68.868 0.014 0.000 1.036 348 T HN 0.035 nan 8.240 nan 0.000 0.526 349 D N 0.871 121.289 120.400 0.030 0.000 3.163 349 D HA 0.460 5.092 4.640 -0.013 0.000 0.284 349 D C 0.850 177.169 176.300 0.030 0.000 1.368 349 D CA 0.193 54.211 54.000 0.031 0.000 0.895 349 D CB -0.265 40.552 40.800 0.028 0.000 1.061 349 D HN 1.042 nan 8.370 nan 0.000 0.496 350 G N 1.122 109.942 108.800 0.032 0.000 2.497 350 G HA2 0.031 3.983 3.960 -0.013 0.000 0.686 350 G HA3 0.031 3.983 3.960 -0.013 0.000 0.686 350 G C -1.414 173.510 174.900 0.040 0.000 1.288 350 G CA -1.102 44.019 45.100 0.035 0.000 0.899 350 G HN 0.150 nan 8.290 nan 0.000 0.608 351 Q N -1.064 118.767 119.800 0.052 0.000 2.389 351 Q HA 0.753 5.085 4.340 -0.013 0.000 0.277 351 Q C -0.384 175.669 176.000 0.089 0.000 1.082 351 Q CA -0.675 55.171 55.803 0.071 0.000 0.810 351 Q CB 2.421 31.214 28.738 0.091 0.000 1.374 351 Q HN 0.684 nan 8.270 nan 0.000 0.422 352 I N 2.114 122.739 120.570 0.091 0.000 2.306 352 I HA 0.315 4.478 4.170 -0.013 0.000 0.288 352 I C -0.979 175.226 176.117 0.148 0.000 1.036 352 I CA -0.616 60.745 61.300 0.102 0.000 1.221 352 I CB 0.446 38.481 38.000 0.058 0.000 1.385 352 I HN 0.520 nan 8.210 nan 0.000 0.472 353 F N 7.915 127.880 119.950 0.025 0.000 2.411 353 F HA 0.470 4.989 4.527 -0.013 0.000 0.355 353 F C -0.548 175.271 175.800 0.032 0.000 1.117 353 F CA -0.466 57.548 58.000 0.024 0.000 1.139 353 F CB 0.632 39.647 39.000 0.026 0.000 1.120 353 F HN 0.227 nan 8.300 nan 0.000 0.493 354 L N 6.243 127.141 121.223 -0.542 0.000 2.257 354 L HA 0.350 4.682 4.340 -0.013 0.000 0.290 354 L C -0.101 176.383 176.870 -0.644 0.000 1.044 354 L CA -0.399 54.191 54.840 -0.417 0.000 0.810 354 L CB 1.208 43.115 42.059 -0.253 0.000 1.193 354 L HN 0.593 nan 8.230 nan 0.000 0.425 355 E N 1.812 121.839 120.200 -0.288 0.000 2.174 355 E HA 0.311 4.654 4.350 -0.013 0.000 0.282 355 E C 0.543 177.148 176.600 0.007 0.000 0.992 355 E CA -0.237 56.082 56.400 -0.135 0.000 0.803 355 E CB 1.884 31.655 29.700 0.118 0.000 1.090 355 E HN 0.743 nan 8.360 nan 0.000 0.396 356 A N 4.278 127.102 122.820 0.006 0.000 1.940 356 A HA -0.233 4.079 4.320 -0.013 0.000 0.219 356 A C 1.873 179.572 177.584 0.191 0.000 1.176 356 A CA 1.835 53.928 52.037 0.093 0.000 0.631 356 A CB -0.307 18.722 19.000 0.048 0.000 0.814 356 A HN 0.855 nan 8.150 nan 0.000 0.446 357 E N -0.277 120.009 120.200 0.143 0.000 2.106 357 E HA -0.128 4.214 4.350 -0.013 0.000 0.192 357 E C 1.891 178.602 176.600 0.185 0.000 0.984 357 E CA 0.937 57.424 56.400 0.146 0.000 0.806 357 E CB -0.156 29.603 29.700 0.099 0.000 0.750 357 E HN 0.670 nan 8.360 nan 0.000 0.458 358 L N -0.209 121.115 121.223 0.170 0.000 2.072 358 L HA -0.095 4.237 4.340 -0.013 0.000 0.205 358 L C 2.391 179.353 176.870 0.155 0.000 1.079 358 L CA 0.706 55.635 54.840 0.148 0.000 0.752 358 L CB -0.467 41.672 42.059 0.133 0.000 0.906 358 L HN 0.201 nan 8.230 nan 0.000 0.436 359 F N -0.005 119.980 119.950 0.058 0.000 2.161 359 F HA -0.319 4.200 4.527 -0.013 0.000 0.300 359 F C 2.565 178.406 175.800 0.068 0.000 1.089 359 F CA 1.590 59.616 58.000 0.043 0.000 1.282 359 F CB -0.329 38.686 39.000 0.024 0.000 1.010 359 F HN -0.006 nan 8.300 nan 0.000 0.485 360 Y N 1.042 121.403 120.300 0.102 0.000 2.200 360 Y HA -0.147 4.395 4.550 -0.013 0.000 0.290 360 Y C 2.256 178.123 175.900 -0.055 0.000 1.137 360 Y CA 1.826 59.942 58.100 0.026 0.000 1.163 360 Y CB -0.405 38.103 38.460 0.081 0.000 0.988 360 Y HN -0.067 nan 8.280 nan 0.000 0.518 361 K N -0.577 119.868 120.400 0.074 0.000 2.280 361 K HA -0.014 4.298 4.320 -0.013 0.000 0.202 361 K C 1.369 177.892 176.600 -0.128 0.000 1.047 361 K CA 1.005 57.289 56.287 -0.006 0.000 0.942 361 K CB -0.320 32.224 32.500 0.074 0.000 0.739 361 K HN 0.607 nan 8.250 nan 0.000 0.457 362 G N 1.150 109.828 108.800 -0.203 0.000 2.179 362 G HA2 -0.215 3.737 3.960 -0.013 0.000 0.220 362 G HA3 -0.215 3.737 3.960 -0.013 0.000 0.220 362 G C 0.150 174.955 174.900 -0.159 0.000 0.990 362 G CA -0.382 44.573 45.100 -0.242 0.000 0.646 362 G HN 0.194 nan 8.290 nan 0.000 0.517 363 I N 2.186 122.705 120.570 -0.085 0.000 2.471 363 I HA 0.281 4.443 4.170 -0.013 0.000 0.294 363 I C 0.763 176.866 176.117 -0.022 0.000 1.123 363 I CA 0.415 61.701 61.300 -0.023 0.000 1.336 363 I CB 0.000 38.022 38.000 0.036 0.000 1.430 363 I HN 0.089 nan 8.210 nan 0.000 0.533 364 R N 6.418 126.898 120.500 -0.034 0.000 2.574 364 R HA 0.448 4.780 4.340 -0.013 0.000 0.288 364 R C -2.739 173.572 176.300 0.018 0.000 1.004 364 R CA -2.036 54.067 56.100 0.005 0.000 0.895 364 R CB 1.516 31.778 30.300 -0.063 0.000 1.191 364 R HN 0.164 nan 8.270 nan 0.000 0.444 365 P HA -0.046 nan 4.420 nan 0.000 0.266 365 P C -0.323 177.031 177.300 0.090 0.000 1.195 365 P CA 0.120 63.262 63.100 0.071 0.000 0.768 365 P CB 0.670 32.400 31.700 0.050 0.000 0.838 366 A N 4.308 127.208 122.820 0.134 0.000 3.117 366 A HA 0.193 4.505 4.320 -0.013 0.000 0.255 366 A C 0.438 178.073 177.584 0.085 0.000 1.583 366 A CA -0.292 51.825 52.037 0.133 0.000 1.234 366 A CB -1.359 17.779 19.000 0.229 0.000 1.076 366 A HN 0.489 nan 8.150 nan 0.000 0.653 367 I N 1.399 122.020 120.570 0.084 0.000 2.471 367 I HA 0.013 4.176 4.170 -0.013 0.000 0.286 367 I C 0.546 176.741 176.117 0.129 0.000 1.079 367 I CA -0.227 61.128 61.300 0.093 0.000 1.398 367 I CB 0.567 38.618 38.000 0.086 0.000 1.403 367 I HN 0.388 nan 8.210 nan 0.000 0.530 368 N N 6.623 125.433 118.700 0.183 0.000 2.437 368 N HA 0.095 4.827 4.740 -0.013 0.000 0.243 368 N C 0.648 176.261 175.510 0.172 0.000 1.041 368 N CA -0.100 53.079 53.050 0.215 0.000 0.940 368 N CB 1.546 40.257 38.487 0.373 0.000 1.133 368 N HN 0.401 nan 8.380 nan 0.000 0.506 369 V N 3.596 123.588 119.914 0.131 0.000 2.427 369 V HA -0.088 4.025 4.120 -0.013 0.000 0.248 369 V C 2.288 178.434 176.094 0.087 0.000 1.051 369 V CA 2.088 64.453 62.300 0.109 0.000 1.048 369 V CB -0.740 31.149 31.823 0.110 0.000 0.666 369 V HN 0.755 nan 8.190 nan 0.000 0.456 370 G N -0.569 108.275 108.800 0.073 0.000 2.484 370 G HA2 -0.097 3.856 3.960 -0.013 0.000 0.218 370 G HA3 -0.097 3.856 3.960 -0.013 0.000 0.218 370 G C 1.418 176.332 174.900 0.022 0.000 1.130 370 G CA 0.425 45.550 45.100 0.042 0.000 0.784 370 G HN 0.507 nan 8.290 nan 0.000 0.543 371 L N 0.611 121.853 121.223 0.031 0.000 2.616 371 L HA 0.259 4.591 4.340 -0.013 0.000 0.229 371 L C 0.551 177.443 176.870 0.037 0.000 1.110 371 L CA -0.150 54.675 54.840 -0.026 0.000 0.884 371 L CB 0.522 42.477 42.059 -0.173 0.000 1.115 371 L HN -0.012 nan 8.230 nan 0.000 0.481 372 S N -0.224 115.529 115.700 0.089 0.000 2.578 372 S HA 0.602 5.065 4.470 -0.013 0.000 0.283 372 S C -0.531 174.107 174.600 0.065 0.000 1.195 372 S CA -0.398 57.861 58.200 0.099 0.000 1.050 372 S CB 2.732 66.002 63.200 0.116 0.000 1.012 372 S HN -0.051 nan 8.310 nan 0.000 0.511 373 V N 1.666 121.615 119.914 0.058 0.000 3.000 373 V HA 0.620 4.732 4.120 -0.013 0.000 0.300 373 V C -1.121 174.998 176.094 0.041 0.000 1.251 373 V CA -0.491 61.836 62.300 0.044 0.000 0.972 373 V CB 2.481 34.324 31.823 0.034 0.000 1.065 373 V HN 0.812 nan 8.190 nan 0.000 0.431 374 S N 5.171 120.893 115.700 0.036 0.000 2.474 374 S HA 0.515 4.978 4.470 -0.013 0.000 0.321 374 S C 0.796 175.412 174.600 0.028 0.000 1.080 374 S CA -0.574 57.645 58.200 0.030 0.000 1.106 374 S CB 1.111 64.327 63.200 0.027 0.000 0.984 374 S HN 0.774 nan 8.310 nan 0.000 0.464 375 R N 2.478 122.994 120.500 0.027 0.000 2.153 375 R HA 0.027 4.360 4.340 -0.013 0.000 0.218 375 R C 1.334 177.649 176.300 0.025 0.000 1.072 375 R CA 1.511 57.627 56.100 0.026 0.000 0.990 375 R CB -0.002 30.314 30.300 0.028 0.000 0.889 375 R HN 0.646 nan 8.270 nan 0.000 0.452 376 V N -5.399 114.530 119.914 0.024 0.000 3.382 376 V HA 0.388 4.501 4.120 -0.013 0.000 0.296 376 V C 1.317 177.424 176.094 0.021 0.000 1.529 376 V CA 0.419 62.733 62.300 0.024 0.000 1.048 376 V CB 0.740 32.579 31.823 0.026 0.000 0.878 376 V HN 0.146 nan 8.190 nan 0.000 0.442 377 G N 0.968 109.778 108.800 0.017 0.000 2.464 377 G HA2 -0.106 3.846 3.960 -0.013 0.000 0.217 377 G HA3 -0.106 3.846 3.960 -0.013 0.000 0.217 377 G C 1.457 176.364 174.900 0.012 0.000 1.138 377 G CA 1.176 46.282 45.100 0.010 0.000 0.793 377 G HN 0.489 nan 8.290 nan 0.000 0.539 378 S N 1.268 116.979 115.700 0.018 0.000 2.372 378 S HA -0.173 4.290 4.470 -0.013 0.000 0.227 378 S C 2.725 177.337 174.600 0.020 0.000 1.044 378 S CA 1.355 59.567 58.200 0.020 0.000 1.050 378 S CB -0.423 62.790 63.200 0.022 0.000 0.901 378 S HN 0.580 nan 8.310 nan 0.000 0.447 379 A N 0.467 123.302 122.820 0.025 0.000 2.125 379 A HA 0.238 4.551 4.320 -0.013 0.000 0.219 379 A C 1.949 179.557 177.584 0.041 0.000 1.156 379 A CA 1.494 53.552 52.037 0.034 0.000 0.671 379 A CB -0.485 18.541 19.000 0.043 0.000 0.794 379 A HN 0.527 nan 8.150 nan 0.000 0.459 380 A N -1.462 121.369 122.820 0.019 0.000 2.390 380 A HA 0.275 4.587 4.320 -0.013 0.000 0.232 380 A C 0.972 178.539 177.584 -0.028 0.000 1.233 380 A CA 0.086 52.117 52.037 -0.010 0.000 0.907 380 A CB -0.161 18.813 19.000 -0.043 0.000 0.967 380 A HN 0.559 nan 8.150 nan 0.000 0.512 381 Q N 0.979 120.774 119.800 -0.009 0.000 2.337 381 Q HA 0.340 4.672 4.340 -0.013 0.000 0.270 381 Q C -0.607 175.389 176.000 -0.008 0.000 1.002 381 Q CA -0.233 55.564 55.803 -0.009 0.000 0.888 381 Q CB 0.719 29.462 28.738 0.007 0.000 1.222 381 Q HN 0.204 nan 8.270 nan 0.000 0.400 382 V N 5.681 125.587 119.914 -0.013 0.000 2.644 382 V HA -0.147 3.965 4.120 -0.013 0.000 0.305 382 V C 1.348 177.447 176.094 0.009 0.000 1.053 382 V CA 0.677 62.973 62.300 -0.006 0.000 1.186 382 V CB 0.503 32.326 31.823 -0.000 0.000 0.895 382 V HN 0.921 nan 8.190 nan 0.000 0.490 383 K N 3.617 124.023 120.400 0.010 0.000 2.097 383 K HA -0.173 4.139 4.320 -0.013 0.000 0.206 383 K C 2.171 178.785 176.600 0.023 0.000 1.049 383 K CA 1.443 57.740 56.287 0.017 0.000 0.933 383 K CB -0.179 32.329 32.500 0.015 0.000 0.717 383 K HN 0.849 nan 8.250 nan 0.000 0.442 384 A N 1.425 124.259 122.820 0.023 0.000 1.902 384 A HA -0.154 4.158 4.320 -0.013 0.000 0.217 384 A C 2.108 179.718 177.584 0.043 0.000 1.181 384 A CA 1.235 53.290 52.037 0.030 0.000 0.623 384 A CB -0.555 18.458 19.000 0.022 0.000 0.818 384 A HN 0.165 nan 8.150 nan 0.000 0.443 385 L N -0.901 120.345 121.223 0.039 0.000 1.994 385 L HA -0.202 4.130 4.340 -0.013 0.000 0.208 385 L C 2.636 179.532 176.870 0.044 0.000 1.071 385 L CA 1.963 56.830 54.840 0.045 0.000 0.745 385 L CB -0.410 41.673 42.059 0.039 0.000 0.892 385 L HN 0.435 nan 8.230 nan 0.000 0.431 386 K N -0.214 120.207 120.400 0.035 0.000 2.089 386 K HA -0.293 4.019 4.320 -0.013 0.000 0.210 386 K C 2.104 178.726 176.600 0.037 0.000 1.048 386 K CA 1.927 58.233 56.287 0.032 0.000 0.926 386 K CB -0.006 32.510 32.500 0.026 0.000 0.714 386 K HN 0.380 nan 8.250 nan 0.000 0.448 387 Q N -0.382 119.443 119.800 0.043 0.000 2.049 387 Q HA -0.106 4.227 4.340 -0.013 0.000 0.198 387 Q C 2.074 178.113 176.000 0.064 0.000 0.971 387 Q CA 1.635 57.468 55.803 0.051 0.000 0.833 387 Q CB 0.034 28.805 28.738 0.056 0.000 0.896 387 Q HN 0.383 nan 8.270 nan 0.000 0.434 388 V N -2.592 117.373 119.914 0.084 0.000 3.306 388 V HA 0.265 4.378 4.120 -0.013 0.000 0.264 388 V C 1.247 177.369 176.094 0.046 0.000 1.149 388 V CA 1.059 63.422 62.300 0.104 0.000 1.143 388 V CB -0.095 31.840 31.823 0.187 0.000 0.767 388 V HN 0.198 nan 8.190 nan 0.000 0.476 389 A N 0.829 123.672 122.820 0.038 0.000 2.610 389 A HA 0.656 4.968 4.320 -0.013 0.000 0.286 389 A C 1.242 178.837 177.584 0.017 0.000 1.306 389 A CA 0.284 52.335 52.037 0.023 0.000 0.942 389 A CB -0.978 18.043 19.000 0.036 0.000 1.112 389 A HN 0.788 nan 8.150 nan 0.000 0.527 390 G N -0.535 108.270 108.800 0.009 0.000 2.195 390 G HA2 0.372 4.325 3.960 -0.013 0.000 0.264 390 G HA3 0.372 4.325 3.960 -0.013 0.000 0.264 390 G C 0.800 175.702 174.900 0.004 0.000 1.148 390 G CA 0.777 45.881 45.100 0.007 0.000 1.023 390 G HN 0.892 nan 8.290 nan 0.000 0.429 391 S N 0.847 116.565 115.700 0.030 0.000 2.524 391 S HA -0.266 4.196 4.470 -0.013 0.000 0.254 391 S C 1.752 176.409 174.600 0.094 0.000 1.258 391 S CA 0.913 59.148 58.200 0.057 0.000 1.448 391 S CB -1.279 61.951 63.200 0.050 0.000 1.806 391 S HN 0.828 nan 8.310 nan 0.000 0.630 392 L N 2.097 123.354 121.223 0.056 0.000 2.064 392 L HA -0.206 4.126 4.340 -0.013 0.000 0.216 392 L C 2.120 179.083 176.870 0.155 0.000 1.077 392 L CA 3.039 57.929 54.840 0.083 0.000 0.766 392 L CB -0.502 41.579 42.059 0.036 0.000 0.890 392 L HN 0.504 nan 8.230 nan 0.000 0.435 393 K N -0.732 119.735 120.400 0.112 0.000 1.985 393 K HA -0.174 4.138 4.320 -0.013 0.000 0.210 393 K C 2.033 178.703 176.600 0.118 0.000 1.047 393 K CA 2.020 58.370 56.287 0.106 0.000 0.932 393 K CB -0.442 32.104 32.500 0.076 0.000 0.716 393 K HN 0.388 nan 8.250 nan 0.000 0.439 394 L N -0.016 121.275 121.223 0.113 0.000 2.042 394 L HA -0.151 4.181 4.340 -0.013 0.000 0.210 394 L C 2.383 179.330 176.870 0.128 0.000 1.076 394 L CA 1.440 56.340 54.840 0.100 0.000 0.749 394 L CB -0.547 41.565 42.059 0.088 0.000 0.893 394 L HN 0.227 nan 8.230 nan 0.000 0.432 395 F N 0.571 120.542 119.950 0.035 0.000 2.046 395 F HA -0.254 4.266 4.527 -0.012 0.000 0.297 395 F C 2.260 178.112 175.800 0.088 0.000 1.123 395 F CA 1.654 59.681 58.000 0.045 0.000 1.199 395 F CB -0.234 38.778 39.000 0.020 0.000 0.972 395 F HN -0.159 nan 8.300 nan 0.000 0.474 396 L N 0.261 121.648 121.223 0.275 0.000 1.990 396 L HA -0.264 4.069 4.340 -0.013 0.000 0.213 396 L C 2.765 179.705 176.870 0.117 0.000 1.072 396 L CA 1.431 56.397 54.840 0.211 0.000 0.755 396 L CB -1.281 40.914 42.059 0.227 0.000 0.889 396 L HN 0.274 nan 8.230 nan 0.000 0.432 397 A N -1.126 121.743 122.820 0.081 0.000 2.131 397 A HA -0.230 4.082 4.320 -0.013 0.000 0.220 397 A C 2.187 179.760 177.584 -0.019 0.000 1.158 397 A CA 1.567 53.627 52.037 0.039 0.000 0.665 397 A CB -0.339 18.686 19.000 0.041 0.000 0.795 397 A HN 0.569 nan 8.150 nan 0.000 0.460 398 Q N -2.498 117.259 119.800 -0.071 0.000 2.259 398 Q HA -0.034 4.298 4.340 -0.013 0.000 0.201 398 Q C 1.927 177.814 176.000 -0.187 0.000 0.938 398 Q CA 0.930 56.652 55.803 -0.136 0.000 0.872 398 Q CB -0.245 28.398 28.738 -0.159 0.000 0.971 398 Q HN 0.849 nan 8.270 nan 0.000 0.494 399 Y N 1.880 121.942 120.300 -0.397 0.000 2.151 399 Y HA -0.268 4.274 4.550 -0.014 0.000 0.284 399 Y C 2.154 177.973 175.900 -0.136 0.000 1.166 399 Y CA 1.736 59.632 58.100 -0.341 0.000 1.163 399 Y CB -0.158 38.077 38.460 -0.375 0.000 0.974 399 Y HN -0.115 nan 8.280 nan 0.000 0.511 400 R N 0.341 120.593 120.500 -0.412 0.000 2.152 400 R HA -0.145 4.187 4.340 -0.013 0.000 0.232 400 R C 2.028 178.184 176.300 -0.240 0.000 1.117 400 R CA 1.704 57.554 56.100 -0.417 0.000 0.981 400 R CB -0.135 30.079 30.300 -0.142 0.000 0.870 400 R HN 0.571 nan 8.270 nan 0.000 0.451 401 E N -0.573 119.539 120.200 -0.147 0.000 2.230 401 E HA -0.077 4.266 4.350 -0.013 0.000 0.192 401 E C 1.779 178.376 176.600 -0.004 0.000 0.987 401 E CA 0.839 57.221 56.400 -0.031 0.000 0.841 401 E CB 0.401 30.078 29.700 -0.039 0.000 0.783 401 E HN 0.180 nan 8.360 nan 0.000 0.481 402 V N 1.031 120.877 119.914 -0.112 0.000 2.591 402 V HA -0.106 4.007 4.120 -0.013 0.000 0.249 402 V C 2.314 178.373 176.094 -0.059 0.000 1.053 402 V CA 1.398 63.656 62.300 -0.070 0.000 1.068 402 V CB -0.513 31.263 31.823 -0.079 0.000 0.689 402 V HN 0.207 nan 8.190 nan 0.000 0.462 403 A N 0.775 123.457 122.820 -0.230 0.000 1.877 403 A HA -0.084 4.229 4.320 -0.013 0.000 0.216 403 A C 2.467 179.996 177.584 -0.091 0.000 1.186 403 A CA 2.066 53.964 52.037 -0.232 0.000 0.620 403 A CB -0.907 17.785 19.000 -0.513 0.000 0.822 403 A HN 0.555 nan 8.150 nan 0.000 0.443 404 A N -1.413 121.368 122.820 -0.065 0.000 1.940 404 A HA -0.069 4.243 4.320 -0.013 0.000 0.219 404 A C 1.834 179.374 177.584 -0.073 0.000 1.176 404 A CA 1.596 53.601 52.037 -0.054 0.000 0.631 404 A CB -0.727 18.248 19.000 -0.042 0.000 0.814 404 A HN 0.480 nan 8.150 nan 0.000 0.446 405 F N -0.525 119.380 119.950 -0.075 0.000 2.780 405 F HA 0.211 4.737 4.527 -0.003 0.000 0.299 405 F C 2.395 178.170 175.800 -0.042 0.000 1.146 405 F CA 0.355 58.324 58.000 -0.052 0.000 1.428 405 F CB -0.042 38.928 39.000 -0.050 0.000 1.115 405 F HN 0.266 nan 8.300 nan 0.000 0.583 406 A N -0.722 122.150 122.820 0.087 0.000 1.898 406 A HA -0.039 4.273 4.320 -0.013 0.000 0.214 406 A C 1.483 179.076 177.584 0.014 0.000 1.183 406 A CA 0.438 52.504 52.037 0.047 0.000 0.622 406 A CB -0.395 18.624 19.000 0.032 0.000 0.824 406 A HN 0.285 nan 8.150 nan 0.000 0.444 411 D N 0.486 120.904 120.400 0.031 0.000 2.859 411 D HA 0.429 5.061 4.640 -0.013 0.000 0.223 411 D C -1.095 175.218 176.300 0.023 0.000 1.218 411 D CA -0.388 53.626 54.000 0.023 0.000 0.850 411 D CB 2.015 42.828 40.800 0.021 0.000 1.656 411 D HN 0.254 nan 8.370 nan 0.000 0.484 412 L N 2.227 123.461 121.223 0.018 0.000 2.437 412 L HA 0.106 4.439 4.340 -0.013 0.000 0.243 412 L C 0.394 177.273 176.870 0.016 0.000 1.346 412 L CA -0.273 54.578 54.840 0.018 0.000 1.233 412 L CB -0.612 41.456 42.059 0.015 0.000 1.436 412 L HN 0.221 nan 8.230 nan 0.000 0.416 413 D N 0.801 121.212 120.400 0.018 0.000 2.350 413 D HA 0.211 4.844 4.640 -0.013 0.000 0.249 413 D C 1.067 177.376 176.300 0.015 0.000 1.119 413 D CA 0.249 54.257 54.000 0.014 0.000 0.886 413 D CB 1.760 42.568 40.800 0.012 0.000 1.195 413 D HN 0.324 nan 8.370 nan 0.000 0.437 414 A N 3.176 126.002 122.820 0.011 0.000 1.865 414 A HA -0.182 4.130 4.320 -0.013 0.000 0.217 414 A C 2.174 179.767 177.584 0.014 0.000 1.191 414 A CA 2.017 54.060 52.037 0.011 0.000 0.623 414 A CB -0.941 18.063 19.000 0.006 0.000 0.826 414 A HN 0.584 nan 8.150 nan 0.000 0.444 415 S N -0.648 115.060 115.700 0.013 0.000 2.383 415 S HA -0.139 4.323 4.470 -0.013 0.000 0.227 415 S C 2.074 176.692 174.600 0.029 0.000 1.026 415 S CA 2.252 60.463 58.200 0.018 0.000 0.981 415 S CB -0.682 62.526 63.200 0.013 0.000 0.818 415 S HN 0.797 nan 8.310 nan 0.000 0.472 416 T N -0.998 113.572 114.554 0.026 0.000 3.023 416 T HA 0.144 4.486 4.350 -0.013 0.000 0.266 416 T C 1.740 176.471 174.700 0.052 0.000 1.093 416 T CA 0.845 62.966 62.100 0.034 0.000 1.129 416 T CB -0.245 68.635 68.868 0.020 0.000 0.899 416 T HN 0.365 nan 8.240 nan 0.000 0.491 417 K N 0.906 121.332 120.400 0.043 0.000 2.155 417 K HA -0.055 4.257 4.320 -0.013 0.000 0.203 417 K C 2.568 179.199 176.600 0.050 0.000 1.052 417 K CA 0.915 57.230 56.287 0.046 0.000 0.948 417 K CB -0.120 32.398 32.500 0.030 0.000 0.728 417 K HN 0.442 nan 8.250 nan 0.000 0.448 418 Q N -0.036 119.790 119.800 0.045 0.000 2.079 418 Q HA -0.143 4.189 4.340 -0.013 0.000 0.200 418 Q C 1.795 177.844 176.000 0.082 0.000 0.974 418 Q CA 2.131 57.960 55.803 0.042 0.000 0.840 418 Q CB -0.011 28.743 28.738 0.028 0.000 0.898 418 Q HN 0.458 nan 8.270 nan 0.000 0.430 419 T N -1.349 113.280 114.554 0.126 0.000 2.995 419 T HA -0.097 4.246 4.350 -0.013 0.000 0.269 419 T C 1.686 176.510 174.700 0.207 0.000 1.091 419 T CA 0.685 62.920 62.100 0.225 0.000 1.128 419 T CB -0.102 68.877 68.868 0.185 0.000 0.891 419 T HN 0.210 nan 8.240 nan 0.000 0.492 420 L N 0.999 122.327 121.223 0.174 0.000 2.109 420 L HA 0.196 4.529 4.340 -0.013 0.000 0.207 420 L C 2.642 179.580 176.870 0.113 0.000 1.086 420 L CA 1.081 56.054 54.840 0.222 0.000 0.760 420 L CB -0.519 41.639 42.059 0.165 0.000 0.910 420 L HN 0.160 nan 8.230 nan 0.000 0.437 421 V N -0.550 119.400 119.914 0.059 0.000 2.358 421 V HA -0.197 3.915 4.120 -0.013 0.000 0.246 421 V C 2.759 178.829 176.094 -0.040 0.000 1.047 421 V CA 1.361 63.665 62.300 0.006 0.000 1.035 421 V CB -0.619 31.201 31.823 -0.004 0.000 0.658 421 V HN 0.386 nan 8.190 nan 0.000 0.452 422 R N 0.328 120.816 120.500 -0.020 0.000 2.070 422 R HA -0.097 4.235 4.340 -0.013 0.000 0.233 422 R C 2.484 178.708 176.300 -0.127 0.000 1.137 422 R CA 1.637 57.700 56.100 -0.061 0.000 0.945 422 R CB -1.249 29.040 30.300 -0.018 0.000 0.845 422 R HN 0.561 nan 8.270 nan 0.000 0.430 423 G N 1.108 109.767 108.800 -0.235 0.000 2.446 423 G HA2 -0.283 3.669 3.960 -0.013 0.000 0.217 423 G HA3 -0.283 3.669 3.960 -0.013 0.000 0.217 423 G C 1.315 175.745 174.900 -0.782 0.000 1.168 423 G CA 0.752 45.314 45.100 -0.897 0.000 0.771 423 G HN 0.386 nan 8.290 nan 0.000 0.551 424 E N -0.099 119.836 120.200 -0.442 0.000 2.077 424 E HA -0.117 4.226 4.350 -0.013 0.000 0.193 424 E C 2.879 179.416 176.600 -0.106 0.000 0.989 424 E CA 0.578 56.895 56.400 -0.140 0.000 0.800 424 E CB -0.011 29.684 29.700 -0.009 0.000 0.746 424 E HN 0.156 nan 8.360 nan 0.000 0.452 425 R N 0.484 120.912 120.500 -0.120 0.000 2.073 425 R HA -0.116 4.216 4.340 -0.013 0.000 0.234 425 R C 2.463 178.703 176.300 -0.100 0.000 1.134 425 R CA 0.971 57.007 56.100 -0.108 0.000 0.952 425 R CB -0.910 29.312 30.300 -0.130 0.000 0.850 425 R HN 0.268 nan 8.270 nan 0.000 0.433 426 L N 0.244 121.396 121.223 -0.118 0.000 2.093 426 L HA -0.128 4.205 4.340 -0.013 0.000 0.208 426 L C 2.385 179.233 176.870 -0.036 0.000 1.085 426 L CA 1.388 56.182 54.840 -0.077 0.000 0.755 426 L CB -0.667 41.351 42.059 -0.068 0.000 0.904 426 L HN 0.186 nan 8.230 nan 0.000 0.435 427 T N -1.214 113.310 114.554 -0.050 0.000 2.708 427 T HA -0.200 4.143 4.350 -0.013 0.000 0.266 427 T C 1.941 176.653 174.700 0.019 0.000 1.037 427 T CA 1.065 63.174 62.100 0.015 0.000 1.146 427 T CB -0.123 68.776 68.868 0.053 0.000 0.865 427 T HN 0.262 nan 8.240 nan 0.000 0.435 428 Q N 0.422 120.222 119.800 0.000 0.000 2.096 428 Q HA -0.046 4.287 4.340 -0.013 0.000 0.204 428 Q C 2.431 178.440 176.000 0.015 0.000 0.982 428 Q CA 1.052 56.859 55.803 0.006 0.000 0.850 428 Q CB -0.772 27.963 28.738 -0.005 0.000 0.901 428 Q HN 0.366 nan 8.270 nan 0.000 0.422 429 L N 0.523 121.748 121.223 0.004 0.000 2.079 429 L HA -0.151 4.181 4.340 -0.013 0.000 0.210 429 L C 2.019 178.914 176.870 0.041 0.000 1.081 429 L CA 1.443 56.297 54.840 0.024 0.000 0.752 429 L CB -0.379 41.682 42.059 0.003 0.000 0.896 429 L HN 0.158 nan 8.230 nan 0.000 0.433 430 L N -1.109 120.135 121.223 0.036 0.000 2.554 430 L HA -0.021 4.312 4.340 -0.013 0.000 0.226 430 L C 0.921 177.816 176.870 0.041 0.000 1.137 430 L CA -0.034 54.832 54.840 0.044 0.000 0.863 430 L CB -0.463 41.627 42.059 0.050 0.000 0.985 430 L HN 0.089 nan 8.230 nan 0.000 0.451 431 K N 1.489 121.910 120.400 0.035 0.000 2.448 431 K HA 0.113 4.426 4.320 -0.013 0.000 0.278 431 K C -0.061 176.555 176.600 0.027 0.000 1.009 431 K CA 0.466 56.767 56.287 0.024 0.000 0.995 431 K CB 0.529 33.038 32.500 0.014 0.000 0.917 431 K HN 0.023 nan 8.250 nan 0.000 0.481 432 Q N 2.538 122.348 119.800 0.016 0.000 2.284 432 Q HA 0.172 4.504 4.340 -0.013 0.000 0.269 432 Q C -1.204 174.795 176.000 -0.001 0.000 1.026 432 Q CA -0.863 54.950 55.803 0.016 0.000 0.831 432 Q CB 1.294 30.044 28.738 0.020 0.000 1.322 432 Q HN 0.506 nan 8.270 nan 0.000 0.419 433 N N 2.099 120.801 118.700 0.004 0.000 2.381 433 N HA -0.008 4.724 4.740 -0.013 0.000 0.241 433 N C -0.475 175.008 175.510 -0.044 0.000 1.279 433 N CA 0.185 53.231 53.050 -0.006 0.000 0.896 433 N CB 0.535 39.038 38.487 0.026 0.000 1.118 433 N HN 0.581 nan 8.380 nan 0.000 0.438 434 Q N -0.083 119.653 119.800 -0.107 0.000 2.368 434 Q HA 0.031 4.363 4.340 -0.013 0.000 0.237 434 Q C -0.314 175.553 176.000 -0.222 0.000 0.987 434 Q CA -0.234 55.367 55.803 -0.337 0.000 0.896 434 Q CB 0.269 28.632 28.738 -0.626 0.000 1.241 434 Q HN 0.572 nan 8.270 nan 0.000 0.485 435 Y N -0.827 119.476 120.300 0.005 0.000 4.324 435 Y HA -0.266 4.277 4.550 -0.012 0.000 0.224 435 Y C -0.042 175.902 175.900 0.074 0.000 1.113 435 Y CA 0.835 58.946 58.100 0.018 0.000 1.887 435 Y CB -2.143 36.365 38.460 0.080 0.000 1.602 435 Y HN 0.308 nan 8.280 nan 0.000 0.654 436 S N 0.270 116.036 115.700 0.110 0.000 2.139 436 S HA 0.347 4.810 4.470 -0.013 0.000 0.183 436 S C -2.479 172.153 174.600 0.052 0.000 1.473 436 S CA -0.940 57.314 58.200 0.090 0.000 1.263 436 S CB 0.947 64.191 63.200 0.072 0.000 1.170 436 S HN 0.017 nan 8.310 nan 0.000 0.430 437 P HA 0.359 nan 4.420 nan 0.000 0.280 437 P C -0.706 176.608 177.300 0.024 0.000 1.244 437 P CA -0.420 62.702 63.100 0.036 0.000 0.784 437 P CB 0.690 32.415 31.700 0.042 0.000 0.913 438 L N 1.801 123.039 121.223 0.026 0.000 2.322 438 L HA 0.609 4.941 4.340 -0.013 0.000 0.279 438 L C 0.837 177.716 176.870 0.015 0.000 1.036 438 L CA -1.167 53.682 54.840 0.015 0.000 0.807 438 L CB 1.230 43.303 42.059 0.024 0.000 1.226 438 L HN 0.372 nan 8.230 nan 0.000 0.433 439 A N 1.669 124.482 122.820 -0.012 0.000 2.483 439 A HA 0.150 4.462 4.320 -0.013 0.000 0.238 439 A C 1.275 178.880 177.584 0.034 0.000 1.070 439 A CA 0.008 52.043 52.037 -0.004 0.000 0.770 439 A CB 0.137 19.108 19.000 -0.047 0.000 1.008 439 A HN 0.899 nan 8.150 nan 0.000 0.497 440 T N 1.098 115.696 114.554 0.074 0.000 2.737 440 T HA -0.176 4.166 4.350 -0.013 0.000 0.269 440 T C 1.782 176.503 174.700 0.036 0.000 1.040 440 T CA 1.846 63.986 62.100 0.066 0.000 1.142 440 T CB -0.208 68.712 68.868 0.087 0.000 0.861 440 T HN 0.904 nan 8.240 nan 0.000 0.456 441 E N 1.737 121.948 120.200 0.018 0.000 2.268 441 E HA -0.175 4.167 4.350 -0.013 0.000 0.195 441 E C 1.532 178.114 176.600 -0.029 0.000 0.995 441 E CA 1.144 57.538 56.400 -0.011 0.000 0.836 441 E CB -0.270 29.414 29.700 -0.027 0.000 0.763 441 E HN 0.588 nan 8.360 nan 0.000 0.491 442 E N 0.465 120.652 120.200 -0.023 0.000 2.299 442 E HA -0.039 4.304 4.350 -0.013 0.000 0.193 442 E C 2.131 178.737 176.600 0.010 0.000 0.998 442 E CA 0.390 56.771 56.400 -0.031 0.000 0.851 442 E CB 0.134 29.814 29.700 -0.033 0.000 0.795 442 E HN 0.383 nan 8.360 nan 0.000 0.492 443 Q N 0.287 120.106 119.800 0.031 0.000 2.096 443 Q HA -0.093 4.239 4.340 -0.013 0.000 0.197 443 Q C 2.574 178.621 176.000 0.078 0.000 0.964 443 Q CA 1.453 57.291 55.803 0.058 0.000 0.838 443 Q CB -0.005 28.767 28.738 0.056 0.000 0.906 443 Q HN 0.259 nan 8.270 nan 0.000 0.444 444 V N -0.870 119.083 119.914 0.064 0.000 2.332 444 V HA -0.140 3.972 4.120 -0.013 0.000 0.248 444 V C -0.906 175.268 176.094 0.135 0.000 1.055 444 V CA 1.282 63.632 62.300 0.084 0.000 1.038 444 V CB -2.146 29.708 31.823 0.052 0.000 0.651 444 V HN 0.190 nan 8.190 nan 0.000 0.450 445 P HA 0.044 nan 4.420 nan 0.000 0.220 445 P C 2.036 179.565 177.300 0.381 0.000 1.152 445 P CA 1.128 64.353 63.100 0.208 0.000 0.812 445 P CB -0.089 31.644 31.700 0.055 0.000 0.792 446 L N -1.148 120.258 121.223 0.305 0.000 2.027 446 L HA -0.133 4.199 4.340 -0.013 0.000 0.206 446 L C 2.446 179.441 176.870 0.208 0.000 1.074 446 L CA 1.428 56.457 54.840 0.315 0.000 0.745 446 L CB -0.941 41.262 42.059 0.241 0.000 0.898 446 L HN -0.118 nan 8.230 nan 0.000 0.433 447 I N -1.452 119.217 120.570 0.164 0.000 2.286 447 I HA -0.327 3.835 4.170 -0.013 0.000 0.248 447 I C 2.561 178.747 176.117 0.116 0.000 1.115 447 I CA 1.340 62.704 61.300 0.107 0.000 1.392 447 I CB -0.366 37.687 38.000 0.088 0.000 1.065 447 I HN 0.155 nan 8.210 nan 0.000 0.418 448 Y N 1.767 122.113 120.300 0.075 0.000 2.097 448 Y HA -0.354 4.189 4.550 -0.011 0.000 0.282 448 Y C 2.585 178.546 175.900 0.102 0.000 1.152 448 Y CA 1.813 59.961 58.100 0.079 0.000 1.136 448 Y CB -0.357 38.157 38.460 0.091 0.000 0.975 448 Y HN 0.126 nan 8.280 nan 0.000 0.498 449 A N -0.034 122.945 122.820 0.264 0.000 1.933 449 A HA -0.097 4.215 4.320 -0.013 0.000 0.218 449 A C 2.393 179.975 177.584 -0.004 0.000 1.175 449 A CA 1.740 53.870 52.037 0.157 0.000 0.628 449 A CB -1.668 17.382 19.000 0.084 0.000 0.814 449 A HN 0.625 nan 8.150 nan 0.000 0.444 450 G N -0.438 108.333 108.800 -0.048 0.000 2.556 450 G HA2 -0.076 3.876 3.960 -0.013 0.000 0.215 450 G HA3 -0.076 3.876 3.960 -0.013 0.000 0.215 450 G C 1.497 176.289 174.900 -0.180 0.000 1.258 450 G CA 1.238 46.265 45.100 -0.122 0.000 0.811 450 G HN 0.302 nan 8.290 nan 0.000 0.557 451 V N 2.039 121.839 119.914 -0.189 0.000 2.317 451 V HA -0.239 3.873 4.120 -0.013 0.000 0.251 451 V C 2.340 178.251 176.094 -0.305 0.000 1.065 451 V CA 1.964 64.106 62.300 -0.265 0.000 1.049 451 V CB -0.502 31.190 31.823 -0.219 0.000 0.651 451 V HN 0.396 nan 8.190 nan 0.000 0.450 452 N N -0.012 118.488 118.700 -0.333 0.000 2.521 452 N HA 0.049 4.782 4.740 -0.013 0.000 0.188 452 N C 1.502 176.777 175.510 -0.391 0.000 1.146 452 N CA 1.060 53.885 53.050 -0.375 0.000 0.893 452 N CB 0.753 38.934 38.487 -0.511 0.000 0.975 452 N HN 0.665 nan 8.380 nan 0.000 0.451 453 G N 0.505 109.115 108.800 -0.316 0.000 2.141 453 G HA2 -0.265 3.688 3.960 -0.013 0.000 0.231 453 G HA3 -0.265 3.688 3.960 -0.013 0.000 0.231 453 G C 0.459 175.176 174.900 -0.305 0.000 0.984 453 G CA 0.193 45.115 45.100 -0.297 0.000 0.660 453 G HN 0.481 nan 8.290 nan 0.000 0.525 454 H N -0.336 118.630 119.070 -0.173 0.000 2.495 454 H HA 0.283 4.833 4.556 -0.011 0.000 0.287 454 H C 2.529 177.723 175.328 -0.223 0.000 1.033 454 H CA 1.269 57.225 56.048 -0.153 0.000 1.307 454 H CB 0.094 29.793 29.762 -0.106 0.000 1.401 454 H HN 0.456 nan 8.280 nan 0.000 0.555 455 L N 0.149 121.256 121.223 -0.193 0.000 2.591 455 L HA -0.009 4.323 4.340 -0.013 0.000 0.228 455 L C 0.958 177.712 176.870 -0.193 0.000 1.133 455 L CA 0.085 54.746 54.840 -0.297 0.000 0.880 455 L CB 0.146 41.986 42.059 -0.365 0.000 1.033 455 L HN 0.182 nan 8.230 nan 0.000 0.450 456 D N 0.832 121.140 120.400 -0.152 0.000 2.264 456 D HA -0.103 4.530 4.640 -0.013 0.000 0.208 456 D C 2.036 178.283 176.300 -0.089 0.000 0.966 456 D CA 1.170 55.099 54.000 -0.117 0.000 0.864 456 D CB 0.073 40.803 40.800 -0.116 0.000 0.933 456 D HN 0.299 nan 8.370 nan 0.000 0.499 457 G N -0.604 108.145 108.800 -0.085 0.000 3.126 457 G HA2 0.192 4.144 3.960 -0.013 0.000 0.224 457 G HA3 0.192 4.144 3.960 -0.013 0.000 0.224 457 G C 0.485 175.351 174.900 -0.056 0.000 1.142 457 G CA -0.259 44.805 45.100 -0.061 0.000 0.759 457 G HN 0.152 nan 8.290 nan 0.000 0.550 458 I N 1.241 121.765 120.570 -0.076 0.000 2.353 458 I HA 0.202 4.365 4.170 -0.013 0.000 0.293 458 I C 0.130 176.218 176.117 -0.048 0.000 0.992 458 I CA -0.715 60.548 61.300 -0.061 0.000 1.268 458 I CB 1.606 39.550 38.000 -0.094 0.000 1.387 458 I HN 0.044 nan 8.210 nan 0.000 0.478 459 E N 3.388 123.574 120.200 -0.024 0.000 2.459 459 E HA -0.107 4.235 4.350 -0.013 0.000 0.264 459 E C 0.652 177.243 176.600 -0.014 0.000 1.055 459 E CA -0.183 56.208 56.400 -0.014 0.000 0.957 459 E CB 0.662 30.360 29.700 -0.003 0.000 0.952 459 E HN 0.421 nan 8.360 nan 0.000 0.448 460 L N 2.625 123.842 121.223 -0.010 0.000 2.093 460 L HA -0.181 4.151 4.340 -0.013 0.000 0.208 460 L C 2.193 179.066 176.870 0.005 0.000 1.085 460 L CA 2.029 56.865 54.840 -0.008 0.000 0.755 460 L CB -0.592 41.467 42.059 -0.001 0.000 0.904 460 L HN 0.643 nan 8.230 nan 0.000 0.435 461 S N -1.263 114.443 115.700 0.010 0.000 2.474 461 S HA -0.106 4.356 4.470 -0.013 0.000 0.235 461 S C 1.779 176.397 174.600 0.030 0.000 0.997 461 S CA 0.540 58.749 58.200 0.016 0.000 0.949 461 S CB -0.415 62.793 63.200 0.013 0.000 0.766 461 S HN 0.475 nan 8.310 nan 0.000 0.517 462 R N 0.086 120.609 120.500 0.038 0.000 2.362 462 R HA 0.338 4.670 4.340 -0.013 0.000 0.227 462 R C 1.044 177.411 176.300 0.112 0.000 0.905 462 R CA -0.186 55.956 56.100 0.070 0.000 1.067 462 R CB -0.078 30.262 30.300 0.068 0.000 1.078 462 R HN 0.372 nan 8.270 nan 0.000 0.516 463 I N 0.671 121.284 120.570 0.073 0.000 2.226 463 I HA -0.149 4.014 4.170 -0.013 0.000 0.245 463 I C 2.406 178.618 176.117 0.159 0.000 1.100 463 I CA 1.652 63.002 61.300 0.084 0.000 1.374 463 I CB -1.476 36.531 38.000 0.010 0.000 1.057 463 I HN 0.201 nan 8.210 nan 0.000 0.413 464 G N 0.444 109.311 108.800 0.112 0.000 2.440 464 G HA2 -0.295 3.658 3.960 -0.013 0.000 0.218 464 G HA3 -0.295 3.658 3.960 -0.013 0.000 0.218 464 G C 1.611 176.594 174.900 0.138 0.000 1.154 464 G CA 0.869 46.036 45.100 0.111 0.000 0.767 464 G HN 0.523 nan 8.290 nan 0.000 0.552 465 E N -0.576 119.706 120.200 0.138 0.000 2.204 465 E HA -0.118 4.225 4.350 -0.013 0.000 0.194 465 E C 2.009 178.726 176.600 0.195 0.000 0.989 465 E CA 0.461 56.943 56.400 0.136 0.000 0.824 465 E CB -0.233 29.533 29.700 0.110 0.000 0.756 465 E HN 0.438 nan 8.360 nan 0.000 0.477 466 F N 1.983 122.000 119.950 0.112 0.000 2.102 466 F HA -0.165 4.355 4.527 -0.011 0.000 0.298 466 F C 2.220 178.133 175.800 0.188 0.000 1.105 466 F CA 2.131 60.234 58.000 0.171 0.000 1.239 466 F CB -0.298 38.768 39.000 0.111 0.000 0.991 466 F HN 0.050 nan 8.300 nan 0.000 0.474 467 E N 0.332 120.737 120.200 0.341 0.000 2.021 467 E HA -0.268 4.075 4.350 -0.013 0.000 0.200 467 E C 2.234 178.870 176.600 0.059 0.000 1.015 467 E CA 2.362 58.900 56.400 0.231 0.000 0.824 467 E CB -0.380 29.451 29.700 0.220 0.000 0.762 467 E HN 0.518 nan 8.360 nan 0.000 0.454 468 S N 0.270 116.006 115.700 0.061 0.000 2.374 468 S HA -0.198 4.264 4.470 -0.013 0.000 0.227 468 S C 2.251 176.847 174.600 -0.008 0.000 1.037 468 S CA 1.577 59.791 58.200 0.023 0.000 1.024 468 S CB -0.455 62.768 63.200 0.039 0.000 0.861 468 S HN 0.186 nan 8.310 nan 0.000 0.456 469 S N 1.038 116.742 115.700 0.008 0.000 2.387 469 S HA 0.103 4.565 4.470 -0.013 0.000 0.226 469 S C 1.410 175.898 174.600 -0.188 0.000 1.026 469 S CA 0.836 59.064 58.200 0.046 0.000 0.972 469 S CB -0.469 62.881 63.200 0.250 0.000 0.814 469 S HN 0.520 nan 8.310 nan 0.000 0.477 470 F N 2.361 121.879 119.950 -0.721 0.000 2.163 470 F HA 0.101 4.620 4.527 -0.012 0.000 0.297 470 F C 1.706 177.210 175.800 -0.493 0.000 1.094 470 F CA 0.749 58.075 58.000 -1.123 0.000 1.290 470 F CB -0.631 37.638 39.000 -1.219 0.000 1.017 470 F HN 0.086 nan 8.300 nan 0.000 0.483 471 L N -0.955 120.066 121.223 -0.336 0.000 2.056 471 L HA -0.212 4.121 4.340 -0.013 0.000 0.207 471 L C 2.549 179.283 176.870 -0.226 0.000 1.078 471 L CA 1.348 56.007 54.840 -0.301 0.000 0.749 471 L CB -1.006 40.958 42.059 -0.159 0.000 0.901 471 L HN -0.009 nan 8.230 nan 0.000 0.433 472 S N -1.050 114.564 115.700 -0.142 0.000 2.359 472 S HA -0.260 4.203 4.470 -0.013 0.000 0.224 472 S C 1.892 176.451 174.600 -0.070 0.000 1.035 472 S CA 1.520 59.673 58.200 -0.078 0.000 1.018 472 S CB -0.442 62.750 63.200 -0.013 0.000 0.876 472 S HN 0.410 nan 8.310 nan 0.000 0.448 473 Y N 2.058 122.230 120.300 -0.214 0.000 2.097 473 Y HA -0.112 4.430 4.550 -0.013 0.000 0.282 473 Y C 1.922 177.720 175.900 -0.171 0.000 1.152 473 Y CA 1.399 59.402 58.100 -0.161 0.000 1.136 473 Y CB -0.505 37.820 38.460 -0.224 0.000 0.975 473 Y HN 0.147 nan 8.280 nan 0.000 0.498 474 L N -0.107 120.912 121.223 -0.338 0.000 2.131 474 L HA -0.220 4.112 4.340 -0.013 0.000 0.210 474 L C 2.451 179.160 176.870 -0.269 0.000 1.092 474 L CA 1.543 56.168 54.840 -0.358 0.000 0.759 474 L CB -0.447 41.323 42.059 -0.482 0.000 0.903 474 L HN 0.160 nan 8.230 nan 0.000 0.435 475 K N -0.257 120.004 120.400 -0.231 0.000 2.031 475 K HA -0.120 4.192 4.320 -0.013 0.000 0.205 475 K C 2.377 178.873 176.600 -0.174 0.000 1.049 475 K CA 1.684 57.867 56.287 -0.174 0.000 0.939 475 K CB -0.098 32.320 32.500 -0.137 0.000 0.717 475 K HN 0.340 nan 8.250 nan 0.000 0.438 476 S N 0.645 116.235 115.700 -0.183 0.000 2.387 476 S HA -0.070 4.392 4.470 -0.013 0.000 0.226 476 S C 1.480 175.931 174.600 -0.248 0.000 1.026 476 S CA 1.318 59.415 58.200 -0.173 0.000 0.972 476 S CB -0.221 62.908 63.200 -0.118 0.000 0.814 476 S HN 0.216 nan 8.310 nan 0.000 0.477 477 N N 0.645 119.106 118.700 -0.399 0.000 2.530 477 N HA 0.148 4.880 4.740 -0.013 0.000 0.216 477 N C 0.381 175.560 175.510 -0.552 0.000 1.031 477 N CA 0.698 53.408 53.050 -0.567 0.000 1.063 477 N CB -0.204 37.724 38.487 -0.931 0.000 1.346 477 N HN 0.372 nan 8.380 nan 0.000 0.515 478 H N 0.764 119.626 119.070 -0.346 0.000 2.672 478 H HA 0.193 4.742 4.556 -0.012 0.000 0.262 478 H C 0.241 175.450 175.328 -0.199 0.000 1.577 478 H CA -0.033 55.875 56.048 -0.233 0.000 1.183 478 H CB -0.192 29.439 29.762 -0.218 0.000 1.546 478 H HN 0.265 nan 8.280 nan 0.000 0.502 479 N N 1.308 119.935 118.700 -0.122 0.000 2.309 479 N HA -0.132 4.600 4.740 -0.013 0.000 0.182 479 N C 1.579 177.044 175.510 -0.075 0.000 1.018 479 N CA 0.815 53.801 53.050 -0.106 0.000 0.876 479 N CB 0.304 38.723 38.487 -0.113 0.000 0.972 479 N HN 0.468 nan 8.380 nan 0.000 0.434 480 E N -0.264 119.899 120.200 -0.060 0.000 2.153 480 E HA -0.137 4.206 4.350 -0.013 0.000 0.194 480 E C 1.716 178.293 176.600 -0.039 0.000 0.988 480 E CA 0.852 57.226 56.400 -0.044 0.000 0.811 480 E CB -0.042 29.637 29.700 -0.034 0.000 0.746 480 E HN 0.470 nan 8.360 nan 0.000 0.466 481 L N 0.372 121.573 121.223 -0.037 0.000 2.072 481 L HA -0.133 4.199 4.340 -0.013 0.000 0.205 481 L C 2.462 179.294 176.870 -0.063 0.000 1.079 481 L CA 0.741 55.550 54.840 -0.052 0.000 0.752 481 L CB -0.573 41.444 42.059 -0.070 0.000 0.906 481 L HN 0.149 nan 8.230 nan 0.000 0.436 482 L N -0.284 120.894 121.223 -0.075 0.000 2.042 482 L HA -0.191 4.141 4.340 -0.013 0.000 0.210 482 L C 2.705 179.542 176.870 -0.055 0.000 1.076 482 L CA 1.567 56.361 54.840 -0.077 0.000 0.749 482 L CB -1.094 40.906 42.059 -0.097 0.000 0.893 482 L HN 0.283 nan 8.230 nan 0.000 0.432 483 T N -0.763 113.760 114.554 -0.051 0.000 2.708 483 T HA -0.193 4.149 4.350 -0.013 0.000 0.266 483 T C 1.758 176.442 174.700 -0.027 0.000 1.037 483 T CA 1.400 63.477 62.100 -0.038 0.000 1.146 483 T CB -0.184 68.660 68.868 -0.039 0.000 0.865 483 T HN 0.391 nan 8.240 nan 0.000 0.435 484 E N 0.522 120.705 120.200 -0.028 0.000 2.077 484 E HA -0.088 4.254 4.350 -0.013 0.000 0.193 484 E C 2.215 178.805 176.600 -0.016 0.000 0.989 484 E CA 0.989 57.376 56.400 -0.021 0.000 0.800 484 E CB -0.324 29.361 29.700 -0.025 0.000 0.746 484 E HN 0.491 nan 8.360 nan 0.000 0.452 485 I N 0.715 121.272 120.570 -0.022 0.000 2.163 485 I HA -0.305 3.858 4.170 -0.013 0.000 0.243 485 I C 2.778 178.896 176.117 0.003 0.000 1.085 485 I CA 1.115 62.407 61.300 -0.013 0.000 1.347 485 I CB -0.323 37.664 38.000 -0.023 0.000 1.044 485 I HN 0.050 nan 8.210 nan 0.000 0.408 486 R N 1.035 121.537 120.500 0.002 0.000 2.083 486 R HA -0.211 4.121 4.340 -0.013 0.000 0.237 486 R C 2.107 178.425 176.300 0.030 0.000 1.137 486 R CA 1.945 58.059 56.100 0.023 0.000 0.951 486 R CB -0.124 30.182 30.300 0.009 0.000 0.851 486 R HN 0.438 nan 8.270 nan 0.000 0.434 487 E N -0.718 119.490 120.200 0.014 0.000 2.230 487 E HA -0.085 4.257 4.350 -0.013 0.000 0.192 487 E C 1.775 178.381 176.600 0.012 0.000 0.987 487 E CA 0.714 57.123 56.400 0.015 0.000 0.841 487 E CB 0.323 30.026 29.700 0.005 0.000 0.783 487 E HN 0.274 nan 8.360 nan 0.000 0.481 488 K N -1.071 119.333 120.400 0.007 0.000 2.350 488 K HA 0.084 4.396 4.320 -0.013 0.000 0.196 488 K C 1.218 177.822 176.600 0.006 0.000 1.084 488 K CA 0.643 56.933 56.287 0.005 0.000 0.967 488 K CB 1.006 33.506 32.500 0.000 0.000 0.950 488 K HN 0.185 nan 8.250 nan 0.000 0.512 489 G N 2.160 110.965 108.800 0.009 0.000 2.189 489 G HA2 -0.277 3.675 3.960 -0.013 0.000 0.267 489 G HA3 -0.277 3.675 3.960 -0.013 0.000 0.267 489 G C -0.136 174.769 174.900 0.009 0.000 0.975 489 G CA 0.748 45.855 45.100 0.010 0.000 0.644 489 G HN 0.382 nan 8.290 nan 0.000 0.537 490 E N -1.236 118.967 120.200 0.006 0.000 2.359 490 E HA 0.726 5.068 4.350 -0.013 0.000 0.266 490 E C -0.571 176.031 176.600 0.003 0.000 0.920 490 E CA -1.015 55.390 56.400 0.007 0.000 0.788 490 E CB 1.714 31.418 29.700 0.007 0.000 1.279 490 E HN 0.132 nan 8.360 nan 0.000 0.438 491 L N 2.095 123.322 121.223 0.006 0.000 2.353 491 L HA 0.286 4.619 4.340 -0.013 0.000 0.270 491 L C 0.006 176.878 176.870 0.002 0.000 1.003 491 L CA -0.640 54.199 54.840 -0.001 0.000 0.862 491 L CB 1.389 43.448 42.059 0.000 0.000 1.221 491 L HN 0.510 nan 8.230 nan 0.000 0.430 492 S N 1.687 117.386 115.700 -0.003 0.000 2.593 492 S HA 0.216 4.678 4.470 -0.013 0.000 0.269 492 S C 1.069 175.670 174.600 0.001 0.000 1.334 492 S CA -0.532 57.669 58.200 0.001 0.000 1.015 492 S CB 1.274 64.473 63.200 -0.002 0.000 0.912 492 S HN 0.626 nan 8.310 nan 0.000 0.541 493 K N 0.695 121.099 120.400 0.008 0.000 2.074 493 K HA -0.226 4.086 4.320 -0.013 0.000 0.209 493 K C 2.172 178.775 176.600 0.005 0.000 1.048 493 K CA 1.954 58.248 56.287 0.012 0.000 0.926 493 K CB -0.347 32.162 32.500 0.015 0.000 0.713 493 K HN 0.836 nan 8.250 nan 0.000 0.444 494 E N 1.524 121.724 120.200 -0.000 0.000 2.038 494 E HA -0.224 4.118 4.350 -0.013 0.000 0.195 494 E C 1.864 178.452 176.600 -0.019 0.000 1.000 494 E CA 1.242 57.639 56.400 -0.005 0.000 0.803 494 E CB -0.332 29.366 29.700 -0.004 0.000 0.750 494 E HN 0.165 nan 8.360 nan 0.000 0.448 495 L N -0.154 121.053 121.223 -0.027 0.000 2.093 495 L HA -0.006 4.326 4.340 -0.013 0.000 0.208 495 L C 2.267 179.086 176.870 -0.084 0.000 1.085 495 L CA 1.420 56.230 54.840 -0.049 0.000 0.755 495 L CB -0.695 41.338 42.059 -0.044 0.000 0.904 495 L HN 0.377 nan 8.230 nan 0.000 0.435 496 L N -0.224 120.958 121.223 -0.068 0.000 2.046 496 L HA -0.120 4.212 4.340 -0.013 0.000 0.208 496 L C 2.468 179.279 176.870 -0.099 0.000 1.077 496 L CA 2.051 56.834 54.840 -0.095 0.000 0.747 496 L CB -0.920 41.139 42.059 0.000 0.000 0.896 496 L HN 0.294 nan 8.230 nan 0.000 0.432 497 A N -2.383 120.416 122.820 -0.036 0.000 2.014 497 A HA -0.140 4.172 4.320 -0.013 0.000 0.218 497 A C 2.491 180.052 177.584 -0.038 0.000 1.163 497 A CA 1.586 53.617 52.037 -0.009 0.000 0.652 497 A CB -0.693 18.314 19.000 0.012 0.000 0.808 497 A HN 0.451 nan 8.150 nan 0.000 0.449 498 S N -0.964 114.696 115.700 -0.066 0.000 2.414 498 S HA -0.032 4.431 4.470 -0.013 0.000 0.227 498 S C 1.779 176.291 174.600 -0.147 0.000 1.022 498 S CA 0.967 59.121 58.200 -0.076 0.000 0.958 498 S CB -0.325 62.840 63.200 -0.057 0.000 0.797 498 S HN 0.432 nan 8.310 nan 0.000 0.493 499 L N 2.165 123.260 121.223 -0.213 0.000 2.093 499 L HA 0.095 4.428 4.340 -0.013 0.000 0.208 499 L C 2.116 178.822 176.870 -0.273 0.000 1.085 499 L CA 1.826 56.473 54.840 -0.322 0.000 0.755 499 L CB -0.634 41.092 42.059 -0.555 0.000 0.904 499 L HN 0.184 nan 8.230 nan 0.000 0.435 500 K N -1.395 118.900 120.400 -0.175 0.000 2.057 500 K HA -0.120 4.192 4.320 -0.013 0.000 0.206 500 K C 2.122 178.733 176.600 0.019 0.000 1.050 500 K CA 1.405 57.711 56.287 0.033 0.000 0.935 500 K CB -0.018 32.574 32.500 0.152 0.000 0.715 500 K HN 0.309 nan 8.250 nan 0.000 0.439 501 S N 0.549 116.247 115.700 -0.004 0.000 2.343 501 S HA -0.170 4.292 4.470 -0.013 0.000 0.219 501 S C 2.034 176.641 174.600 0.012 0.000 1.033 501 S CA 1.318 59.529 58.200 0.018 0.000 1.014 501 S CB -0.397 62.816 63.200 0.022 0.000 0.915 501 S HN 0.529 nan 8.310 nan 0.000 0.435 502 A N 1.186 123.944 122.820 -0.104 0.000 1.917 502 A HA -0.164 4.148 4.320 -0.013 0.000 0.219 502 A C 2.330 180.034 177.584 0.201 0.000 1.182 502 A CA 2.282 54.236 52.037 -0.138 0.000 0.633 502 A CB -1.465 17.159 19.000 -0.626 0.000 0.819 502 A HN 0.517 nan 8.150 nan 0.000 0.448 503 T N -0.152 114.484 114.554 0.137 0.000 2.674 503 T HA -0.153 4.189 4.350 -0.013 0.000 0.265 503 T C 1.796 176.490 174.700 -0.010 0.000 1.039 503 T CA 1.672 63.822 62.100 0.084 0.000 1.150 503 T CB -0.325 68.462 68.868 -0.135 0.000 0.864 503 T HN 0.659 nan 8.240 nan 0.000 0.427 504 E N 0.699 120.875 120.200 -0.040 0.000 2.110 504 E HA -0.117 4.225 4.350 -0.013 0.000 0.193 504 E C 2.473 179.110 176.600 0.062 0.000 0.988 504 E CA 1.098 57.520 56.400 0.035 0.000 0.804 504 E CB -0.159 29.596 29.700 0.092 0.000 0.745 504 E HN 0.326 nan 8.360 nan 0.000 0.458 505 S N -0.031 115.722 115.700 0.088 0.000 2.356 505 S HA -0.171 4.292 4.470 -0.013 0.000 0.223 505 S C 1.725 176.326 174.600 0.002 0.000 1.032 505 S CA 0.921 59.169 58.200 0.080 0.000 1.005 505 S CB -0.263 63.039 63.200 0.171 0.000 0.867 505 S HN 0.328 nan 8.310 nan 0.000 0.449 506 F N 2.029 121.866 119.950 -0.188 0.000 2.113 506 F HA -0.028 4.491 4.527 -0.013 0.000 0.297 506 F C 2.165 177.864 175.800 -0.168 0.000 1.103 506 F CA 1.410 59.206 58.000 -0.340 0.000 1.248 506 F CB -0.637 38.100 39.000 -0.438 0.000 0.999 506 F HN 0.038 nan 8.300 nan 0.000 0.475 507 V N 0.573 120.499 119.914 0.019 0.000 2.380 507 V HA -0.383 3.729 4.120 -0.013 0.000 0.251 507 V C 2.662 178.703 176.094 -0.088 0.000 1.063 507 V CA 1.862 64.173 62.300 0.018 0.000 1.055 507 V CB -1.529 30.345 31.823 0.085 0.000 0.657 507 V HN 0.511 nan 8.190 nan 0.000 0.455 508 A N -1.171 121.594 122.820 -0.091 0.000 1.930 508 A HA -0.092 4.220 4.320 -0.013 0.000 0.217 508 A C 1.764 179.268 177.584 -0.133 0.000 1.175 508 A CA 1.950 53.938 52.037 -0.081 0.000 0.627 508 A CB -0.365 18.610 19.000 -0.042 0.000 0.815 508 A HN 0.539 nan 8.150 nan 0.000 0.443 509 T N 0.000 114.416 114.554 -0.230 0.000 3.816 509 T HA 0.000 4.342 4.350 -0.013 0.000 0.228 509 T CA 0.000 61.959 62.100 -0.236 0.000 1.349 509 T CB 0.000 68.734 68.868 -0.223 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658