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 1mbz_1_A DATA FIRST_RESID 3 DATA SEQUENCE APVLPAAFGF LASARTGXXX XXGPVFATRG SHTDIDTPQG ERSLAATLVH DATA SEQUENCE APSVAPDRAV ARSLTGAPTT AVLAGEIYNR DELLSVLPAG PAPEGDAELV DATA SEQUENCE LRLLERYDLH AFRLVNGRFA TVVRTGDRVL LATDHAGSVP LYTCVAPGEV DATA SEQUENCE RASTEAKALA AHXXXXGFPL ADARRVAGLT GVYQVPAGAV MDIDLGSGTA DATA SEQUENCE VTHRTWTPGL SRRILPEGEA VAAVRAALEK AVAQRVTPGD TPLVVLSGGI DATA SEQUENCE DSSGVAACAH RAAGELDTVS MGTDTSNEFR EARAVVDHLR TRHREITIPT DATA SEQUENCE TELLAQLPYA VWASESVDPD IIEYLLPLTA LYRALDGPER RILTGYGADI DATA SEQUENCE PLGGMHREDR LPALDTVLAH DMATFDGLNE MSPVLSTLAG HWTTHPYWDR DATA SEQUENCE EVLDLLVSLE AGLKRRHGRD KWVLRAAMAD ALPAETVNRP KLGVHEGSGT DATA SEQUENCE TSSFSRLLLD HGVAEDRVHE AKRQVVRELF DLTVGGGRHP SEVDTDDVVR DATA SEQUENCE SVADR 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.649 177.584 0.109 0.000 1.274 3 A CA 0.000 52.096 52.037 0.099 0.000 0.836 3 A CB 0.000 19.044 19.000 0.073 0.000 0.831 4 P HA 0.298 nan 4.420 nan 0.000 0.272 4 P C -0.462 176.875 177.300 0.061 0.000 1.239 4 P CA 1.000 64.142 63.100 0.070 0.000 0.807 4 P CB 0.179 31.908 31.700 0.047 0.000 0.951 5 V N -2.024 117.910 119.914 0.033 0.000 4.394 5 V HA -0.218 3.902 4.120 -0.000 0.000 0.413 5 V C -0.161 175.930 176.094 -0.006 0.000 0.674 5 V CA 0.672 62.973 62.300 0.002 0.000 1.706 5 V CB -2.156 29.672 31.823 0.009 0.000 2.080 5 V HN 0.292 nan 8.190 nan 0.000 0.482 6 L N 5.467 126.654 121.223 -0.060 0.000 2.304 6 L HA 0.796 5.136 4.340 -0.000 0.000 0.268 6 L C -1.642 175.036 176.870 -0.319 0.000 1.010 6 L CA -2.170 52.584 54.840 -0.143 0.000 0.813 6 L CB 1.465 43.521 42.059 -0.004 0.000 1.315 6 L HN 0.323 nan 8.230 nan 0.000 0.445 7 P HA -0.028 nan 4.420 nan 0.000 0.269 7 P C -0.004 177.028 177.300 -0.447 0.000 1.217 7 P CA -0.152 62.620 63.100 -0.547 0.000 0.783 7 P CB 0.818 32.014 31.700 -0.840 0.000 0.898 8 A N 1.579 124.199 122.820 -0.333 0.000 2.070 8 A HA 0.240 4.560 4.320 -0.000 0.000 0.220 8 A C 1.113 178.487 177.584 -0.350 0.000 1.159 8 A CA 1.611 53.461 52.037 -0.312 0.000 0.656 8 A CB -0.653 18.208 19.000 -0.233 0.000 0.800 8 A HN 0.834 nan 8.150 nan 0.000 0.453 9 A N -2.694 119.937 122.820 -0.316 0.000 2.566 9 A HA 0.628 4.948 4.320 -0.000 0.000 0.297 9 A C -0.193 177.308 177.584 -0.138 0.000 1.059 9 A CA -0.572 51.334 52.037 -0.219 0.000 0.691 9 A CB 0.199 19.171 19.000 -0.046 0.000 1.282 9 A HN 0.071 nan 8.150 nan 0.000 0.401 10 F N 1.217 121.153 119.950 -0.023 0.000 2.374 10 F HA 0.431 4.958 4.527 -0.000 0.000 0.291 10 F C 1.637 177.402 175.800 -0.060 0.000 1.084 10 F CA 0.751 58.747 58.000 -0.007 0.000 1.413 10 F CB -0.018 38.989 39.000 0.012 0.000 1.099 10 F HN 0.888 nan 8.300 nan 0.000 0.534 11 G N -1.429 107.380 108.800 0.014 0.000 2.650 11 G HA2 0.534 4.494 3.960 -0.000 0.000 0.310 11 G HA3 0.534 4.494 3.960 -0.000 0.000 0.310 11 G C -1.831 172.915 174.900 -0.257 0.000 1.270 11 G CA -0.242 44.675 45.100 -0.304 0.000 0.810 11 G HN 0.059 nan 8.290 nan 0.000 0.493 12 F N -2.610 117.176 119.950 -0.274 0.000 2.878 12 F HA 0.743 5.270 4.527 -0.000 0.000 0.322 12 F C -2.404 173.494 175.800 0.163 0.000 1.154 12 F CA -1.418 56.533 58.000 -0.082 0.000 0.896 12 F CB 1.354 40.348 39.000 -0.009 0.000 1.313 12 F HN 0.839 nan 8.300 nan 0.000 0.451 13 L N 2.119 123.703 121.223 0.603 0.000 2.441 13 L HA 0.964 5.303 4.340 -0.000 0.000 0.270 13 L C -1.191 175.884 176.870 0.341 0.000 0.973 13 L CA -0.553 54.569 54.840 0.470 0.000 0.842 13 L CB 1.110 43.376 42.059 0.345 0.000 1.239 13 L HN 1.368 nan 8.230 nan 0.000 0.406 14 A N 3.138 126.143 122.820 0.308 0.000 2.430 14 A HA 1.013 5.333 4.320 -0.000 0.000 0.300 14 A C -0.811 176.839 177.584 0.110 0.000 1.124 14 A CA 0.084 52.209 52.037 0.146 0.000 0.766 14 A CB 1.798 20.824 19.000 0.043 0.000 1.328 14 A HN 1.099 nan 8.150 nan 0.000 0.424 15 S N -1.149 114.588 115.700 0.062 0.000 2.570 15 S HA 0.815 5.285 4.470 -0.000 0.000 0.270 15 S C -0.852 173.766 174.600 0.030 0.000 1.149 15 S CA -0.091 58.138 58.200 0.049 0.000 0.837 15 S CB 1.544 64.767 63.200 0.040 0.000 1.124 15 S HN 2.289 nan 8.310 nan 0.000 0.465 16 A N 1.976 124.812 122.820 0.027 0.000 2.522 16 A HA 0.761 5.081 4.320 -0.000 0.000 0.285 16 A C -0.385 177.208 177.584 0.015 0.000 1.198 16 A CA -0.807 51.240 52.037 0.017 0.000 0.742 16 A CB 0.777 19.787 19.000 0.016 0.000 1.176 16 A HN 0.740 nan 8.150 nan 0.000 0.444 17 R N 0.992 121.500 120.500 0.013 0.000 2.711 17 R HA 0.539 4.879 4.340 -0.000 0.000 0.284 17 R C 0.671 176.976 176.300 0.009 0.000 0.968 17 R CA -0.378 55.729 56.100 0.012 0.000 0.924 17 R CB 1.861 32.170 30.300 0.014 0.000 1.162 17 R HN 0.593 nan 8.270 nan 0.000 0.465 18 T N -0.072 114.487 114.554 0.008 0.000 3.088 18 T HA 0.098 4.448 4.350 -0.000 0.000 0.259 18 T C 0.766 175.471 174.700 0.009 0.000 1.122 18 T CA 0.697 62.800 62.100 0.006 0.000 1.095 18 T CB 0.077 68.947 68.868 0.003 0.000 0.930 18 T HN 0.692 nan 8.240 nan 0.000 0.508 26 P HA 0.646 nan 4.420 nan 0.000 0.278 26 P C -0.807 176.356 177.300 -0.229 0.000 1.238 26 P CA -0.453 62.495 63.100 -0.253 0.000 0.794 26 P CB 2.262 33.712 31.700 -0.417 0.000 0.955 27 V N 3.148 122.845 119.914 -0.361 0.000 2.407 27 V HA 0.341 4.461 4.120 -0.000 0.000 0.291 27 V C -0.312 175.626 176.094 -0.260 0.000 1.018 27 V CA -0.312 61.902 62.300 -0.144 0.000 0.842 27 V CB 0.649 32.467 31.823 -0.008 0.000 0.996 27 V HN 0.430 nan 8.190 nan 0.000 0.426 28 F N 1.808 121.827 119.950 0.115 0.000 2.557 28 F HA 0.719 5.246 4.527 -0.000 0.000 0.336 28 F C 1.152 176.880 175.800 -0.119 0.000 1.058 28 F CA -0.374 57.605 58.000 -0.036 0.000 0.988 28 F CB 1.840 40.834 39.000 -0.011 0.000 1.275 28 F HN 0.444 nan 8.300 nan 0.000 0.488 29 A N -0.476 122.197 122.820 -0.247 0.000 2.044 29 A HA 0.124 4.444 4.320 -0.000 0.000 0.213 29 A C 0.838 178.351 177.584 -0.120 0.000 1.169 29 A CA 0.462 52.068 52.037 -0.718 0.000 0.724 29 A CB -0.785 17.410 19.000 -1.341 0.000 0.840 29 A HN 0.630 nan 8.150 nan 0.000 0.463 30 T N 1.495 116.015 114.554 -0.056 0.000 2.902 30 T HA 0.235 4.585 4.350 -0.000 0.000 0.301 30 T C 0.272 175.047 174.700 0.125 0.000 1.012 30 T CA 0.064 62.154 62.100 -0.017 0.000 1.151 30 T CB 0.305 69.122 68.868 -0.084 0.000 0.946 30 T HN 0.453 nan 8.240 nan 0.000 0.542 31 R N 1.665 122.234 120.500 0.115 0.000 2.404 31 R HA 0.625 4.965 4.340 -0.000 0.000 0.291 31 R C 0.277 176.692 176.300 0.191 0.000 1.025 31 R CA -0.074 56.119 56.100 0.155 0.000 0.991 31 R CB 0.550 30.916 30.300 0.110 0.000 1.053 31 R HN 0.891 nan 8.270 nan 0.000 0.479 32 G N 0.991 109.887 108.800 0.160 0.000 2.343 32 G HA2 0.048 4.008 3.960 -0.000 0.000 0.289 32 G HA3 0.048 4.008 3.960 -0.000 0.000 0.289 32 G C -1.511 173.402 174.900 0.022 0.000 1.295 32 G CA -0.808 44.357 45.100 0.108 0.000 0.869 32 G HN 0.578 nan 8.290 nan 0.000 0.522 33 S N -0.670 114.924 115.700 -0.176 0.000 2.669 33 S HA 0.703 5.173 4.470 -0.000 0.000 0.270 33 S C -0.503 174.044 174.600 -0.089 0.000 1.225 33 S CA -0.431 57.638 58.200 -0.218 0.000 0.991 33 S CB 0.881 63.862 63.200 -0.365 0.000 0.987 33 S HN 0.555 nan 8.310 nan 0.000 0.552 34 H N -0.188 118.793 119.070 -0.149 0.000 2.637 34 H HA 0.505 5.061 4.556 -0.000 0.000 0.363 34 H C -0.968 174.400 175.328 0.067 0.000 1.131 34 H CA -0.721 55.326 56.048 -0.003 0.000 1.183 34 H CB 1.902 31.706 29.762 0.071 0.000 1.637 34 H HN 0.433 nan 8.280 nan 0.000 0.531 35 T N 2.734 117.430 114.554 0.237 0.000 3.031 35 T HA 0.079 4.429 4.350 -0.000 0.000 0.305 35 T C -0.900 173.878 174.700 0.130 0.000 0.985 35 T CA -0.844 61.370 62.100 0.190 0.000 1.008 35 T CB 1.247 70.251 68.868 0.227 0.000 1.005 35 T HN 0.478 nan 8.240 nan 0.000 0.444 36 D N 3.183 123.646 120.400 0.104 0.000 2.312 36 D HA 0.321 4.961 4.640 -0.000 0.000 0.252 36 D C 0.872 177.202 176.300 0.049 0.000 1.150 36 D CA -0.454 53.592 54.000 0.076 0.000 0.870 36 D CB 0.583 41.425 40.800 0.070 0.000 1.153 36 D HN 0.583 nan 8.370 nan 0.000 0.457 37 I N -0.984 119.605 120.570 0.032 0.000 2.779 37 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 37 I C 0.232 176.353 176.117 0.007 0.000 1.134 37 I CA -0.744 60.561 61.300 0.009 0.000 1.398 37 I CB 0.683 38.676 38.000 -0.012 0.000 1.404 37 I HN 0.036 nan 8.210 nan 0.000 0.587 38 D N 3.185 123.585 120.400 -0.000 0.000 2.361 38 D HA 0.170 4.810 4.640 -0.000 0.000 0.239 38 D C 0.284 176.583 176.300 -0.003 0.000 1.200 38 D CA 0.307 54.307 54.000 -0.000 0.000 0.915 38 D CB 0.887 41.684 40.800 -0.005 0.000 1.170 38 D HN 0.788 nan 8.370 nan 0.000 0.444 39 T N -2.265 112.288 114.554 -0.001 0.000 3.410 39 T HA 0.372 4.722 4.350 -0.000 0.000 0.328 39 T C -2.171 172.527 174.700 -0.003 0.000 1.567 39 T CA -1.496 60.603 62.100 -0.002 0.000 1.626 39 T CB 1.284 70.154 68.868 0.003 0.000 0.939 39 T HN -0.054 nan 8.240 nan 0.000 0.656 40 P HA -0.244 nan 4.420 nan 0.000 0.216 40 P C 1.529 178.827 177.300 -0.004 0.000 1.167 40 P CA 1.453 64.550 63.100 -0.006 0.000 0.933 40 P CB 0.084 31.778 31.700 -0.009 0.000 0.793 41 Q N -0.310 119.487 119.800 -0.004 0.000 2.225 41 Q HA 0.177 4.516 4.340 -0.000 0.000 0.222 41 Q C 1.312 177.311 176.000 -0.001 0.000 0.887 41 Q CA 0.663 56.464 55.803 -0.003 0.000 0.958 41 Q CB -0.832 27.904 28.738 -0.004 0.000 1.058 41 Q HN 0.208 nan 8.270 nan 0.000 0.459 42 G N 3.680 112.480 108.800 -0.000 0.000 2.693 42 G HA2 -0.555 3.405 3.960 -0.000 0.000 0.354 42 G HA3 -0.555 3.405 3.960 -0.000 0.000 0.354 42 G C 0.921 175.823 174.900 0.003 0.000 1.207 42 G CA 1.854 46.955 45.100 0.002 0.000 0.958 42 G HN 0.670 nan 8.290 nan 0.000 0.560 43 E N -0.478 119.725 120.200 0.004 0.000 2.136 43 E HA -0.225 4.124 4.350 -0.000 0.000 0.202 43 E C 2.237 178.840 176.600 0.005 0.000 1.019 43 E CA 1.703 58.106 56.400 0.005 0.000 0.819 43 E CB -0.186 29.517 29.700 0.005 0.000 0.739 43 E HN 0.419 nan 8.360 nan 0.000 0.458 44 R N 0.844 121.346 120.500 0.003 0.000 2.391 44 R HA 0.247 4.587 4.340 -0.000 0.000 0.249 44 R C -0.097 176.203 176.300 0.000 0.000 0.957 44 R CA 0.016 56.117 56.100 0.002 0.000 1.093 44 R CB 0.286 30.586 30.300 0.001 0.000 1.156 44 R HN 0.142 nan 8.270 nan 0.000 0.526 45 S N -0.198 115.502 115.700 -0.000 0.000 2.767 45 S HA 0.374 4.843 4.470 -0.000 0.000 0.300 45 S C -0.849 173.750 174.600 -0.003 0.000 1.123 45 S CA -0.713 57.485 58.200 -0.003 0.000 0.992 45 S CB 0.978 64.175 63.200 -0.005 0.000 1.138 45 S HN 0.187 nan 8.310 nan 0.000 0.550 46 L N 3.003 124.221 121.223 -0.009 0.000 2.261 46 L HA 0.697 5.037 4.340 -0.000 0.000 0.289 46 L C 0.006 176.869 176.870 -0.011 0.000 1.059 46 L CA -0.051 54.782 54.840 -0.012 0.000 0.816 46 L CB 0.012 42.055 42.059 -0.026 0.000 1.191 46 L HN 0.631 nan 8.230 nan 0.000 0.431 47 A N 4.617 127.438 122.820 0.002 0.000 2.316 47 A HA 0.909 5.229 4.320 -0.000 0.000 0.284 47 A C -0.243 177.351 177.584 0.017 0.000 1.115 47 A CA 0.174 52.218 52.037 0.011 0.000 0.812 47 A CB 0.659 19.671 19.000 0.020 0.000 1.064 47 A HN 1.382 nan 8.150 nan 0.000 0.489 48 A N 1.028 123.864 122.820 0.027 0.000 2.582 48 A HA 0.646 4.966 4.320 -0.000 0.000 0.297 48 A C -0.496 177.134 177.584 0.076 0.000 1.059 48 A CA -0.359 51.708 52.037 0.050 0.000 0.705 48 A CB 0.804 19.794 19.000 -0.016 0.000 1.279 48 A HN 0.858 nan 8.150 nan 0.000 0.404 49 T N 2.411 117.042 114.554 0.129 0.000 2.771 49 T HA 0.563 4.913 4.350 -0.000 0.000 0.281 49 T C -0.656 174.130 174.700 0.143 0.000 0.982 49 T CA -0.156 62.018 62.100 0.124 0.000 0.978 49 T CB 0.393 69.335 68.868 0.124 0.000 0.930 49 T HN 0.399 nan 8.240 nan 0.000 0.447 50 L N 3.724 125.011 121.223 0.107 0.000 2.309 50 L HA 0.635 4.975 4.340 -0.000 0.000 0.282 50 L C -0.051 176.839 176.870 0.033 0.000 1.036 50 L CA -0.579 54.331 54.840 0.117 0.000 0.806 50 L CB 1.598 43.742 42.059 0.142 0.000 1.220 50 L HN 0.388 nan 8.230 nan 0.000 0.429 51 V N 4.252 124.129 119.914 -0.062 0.000 2.459 51 V HA 0.788 4.908 4.120 -0.000 0.000 0.295 51 V C -0.909 175.177 176.094 -0.012 0.000 1.029 51 V CA -0.033 62.201 62.300 -0.110 0.000 0.874 51 V CB 1.182 32.852 31.823 -0.256 0.000 0.985 51 V HN 1.071 nan 8.190 nan 0.000 0.438 52 H N 3.874 122.914 119.070 -0.051 0.000 2.932 52 H HA 0.818 5.374 4.556 -0.000 0.000 0.307 52 H C -0.366 174.800 175.328 -0.270 0.000 1.391 52 H CA -0.373 55.457 56.048 -0.363 0.000 1.130 52 H CB 1.051 30.590 29.762 -0.373 0.000 1.836 52 H HN 0.897 nan 8.280 nan 0.000 0.522 53 A N 0.755 123.358 122.820 -0.362 0.000 2.520 53 A HA 0.262 4.582 4.320 -0.000 0.000 0.235 53 A C -1.632 175.983 177.584 0.051 0.000 1.065 53 A CA -0.707 51.292 52.037 -0.064 0.000 0.764 53 A CB -0.412 18.545 19.000 -0.071 0.000 1.002 53 A HN 0.748 nan 8.150 nan 0.000 0.502 54 P HA -0.070 nan 4.420 nan 0.000 0.223 54 P C 1.045 178.383 177.300 0.064 0.000 1.151 54 P CA 1.630 64.752 63.100 0.037 0.000 0.787 54 P CB 0.206 31.918 31.700 0.020 0.000 0.788 55 S N -2.495 113.234 115.700 0.048 0.000 2.614 55 S HA 0.193 4.663 4.470 -0.000 0.000 0.230 55 S C 0.448 175.048 174.600 -0.001 0.000 0.952 55 S CA -0.299 57.917 58.200 0.027 0.000 0.949 55 S CB -0.583 62.632 63.200 0.026 0.000 0.786 55 S HN -0.178 nan 8.310 nan 0.000 0.478 56 V N 1.458 121.373 119.914 0.002 0.000 2.715 56 V HA 0.775 4.895 4.120 -0.000 0.000 0.310 56 V C -0.073 175.917 176.094 -0.173 0.000 1.054 56 V CA -0.907 61.333 62.300 -0.099 0.000 0.928 56 V CB 1.700 33.415 31.823 -0.180 0.000 1.007 56 V HN 0.467 nan 8.190 nan 0.000 0.437 57 A N 5.443 128.142 122.820 -0.202 0.000 2.294 57 A HA 0.622 4.942 4.320 -0.000 0.000 0.316 57 A C -1.619 175.775 177.584 -0.316 0.000 1.359 57 A CA -1.386 50.522 52.037 -0.216 0.000 0.956 57 A CB 0.494 19.416 19.000 -0.131 0.000 1.155 57 A HN 0.701 nan 8.150 nan 0.000 0.544 58 P HA -0.229 nan 4.420 nan 0.000 0.218 58 P C 0.824 177.981 177.300 -0.239 0.000 1.146 58 P CA 1.449 64.279 63.100 -0.449 0.000 0.820 58 P CB 0.168 31.625 31.700 -0.404 0.000 0.778 59 D N -0.013 120.280 120.400 -0.178 0.000 2.355 59 D HA -0.255 4.384 4.640 -0.000 0.000 0.192 59 D C 1.769 177.997 176.300 -0.120 0.000 1.014 59 D CA 1.477 55.404 54.000 -0.123 0.000 0.862 59 D CB -0.675 40.065 40.800 -0.101 0.000 0.986 59 D HN 0.294 nan 8.370 nan 0.000 0.456 60 R N 0.711 121.133 120.500 -0.130 0.000 2.276 60 R HA -0.087 4.253 4.340 -0.000 0.000 0.243 60 R C 1.913 178.141 176.300 -0.120 0.000 1.161 60 R CA 1.005 57.033 56.100 -0.120 0.000 1.007 60 R CB -0.239 29.984 30.300 -0.129 0.000 0.867 60 R HN 0.160 nan 8.270 nan 0.000 0.472 61 A N 0.493 123.234 122.820 -0.133 0.000 2.308 61 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 61 A C 0.353 177.879 177.584 -0.097 0.000 1.216 61 A CA -0.029 51.941 52.037 -0.111 0.000 0.864 61 A CB 0.736 19.665 19.000 -0.118 0.000 0.902 61 A HN 0.005 nan 8.150 nan 0.000 0.499 62 V N -0.188 119.669 119.914 -0.095 0.000 2.656 62 V HA 0.766 4.886 4.120 -0.000 0.000 0.307 62 V C -0.193 175.858 176.094 -0.072 0.000 1.051 62 V CA -0.255 61.994 62.300 -0.085 0.000 0.893 62 V CB 1.398 33.173 31.823 -0.079 0.000 0.999 62 V HN 0.472 nan 8.190 nan 0.000 0.426 63 A N 4.950 127.732 122.820 -0.064 0.000 2.486 63 A HA 0.962 5.282 4.320 -0.000 0.000 0.300 63 A C -0.729 176.828 177.584 -0.046 0.000 1.048 63 A CA -0.840 51.165 52.037 -0.054 0.000 0.696 63 A CB 1.889 20.858 19.000 -0.053 0.000 1.278 63 A HN 0.835 nan 8.150 nan 0.000 0.405 64 R N 0.286 120.763 120.500 -0.040 0.000 2.867 64 R HA 0.907 5.247 4.340 -0.000 0.000 0.268 64 R C -0.553 175.729 176.300 -0.030 0.000 1.014 64 R CA -0.590 55.490 56.100 -0.033 0.000 0.946 64 R CB 2.150 32.432 30.300 -0.031 0.000 1.208 64 R HN 0.958 nan 8.270 nan 0.000 0.477 65 S N -0.116 115.569 115.700 -0.026 0.000 2.636 65 S HA 0.343 4.813 4.470 -0.000 0.000 0.266 65 S C -1.078 173.510 174.600 -0.021 0.000 1.147 65 S CA -0.763 57.422 58.200 -0.025 0.000 0.815 65 S CB 1.128 64.312 63.200 -0.027 0.000 1.119 65 S HN 0.583 nan 8.310 nan 0.000 0.470 66 L N 1.256 122.467 121.223 -0.020 0.000 2.966 66 L HA 0.318 4.658 4.340 -0.000 0.000 0.262 66 L C 0.237 177.096 176.870 -0.018 0.000 1.165 66 L CA -0.074 54.755 54.840 -0.017 0.000 0.978 66 L CB 0.696 42.745 42.059 -0.017 0.000 1.337 66 L HN 0.629 nan 8.230 nan 0.000 0.563 67 T N 0.937 115.478 114.554 -0.021 0.000 2.761 67 T HA 0.334 4.684 4.350 -0.000 0.000 0.287 67 T C 1.171 175.859 174.700 -0.020 0.000 0.931 67 T CA 1.096 63.182 62.100 -0.023 0.000 1.164 67 T CB 0.882 69.733 68.868 -0.030 0.000 0.876 67 T HN 0.594 nan 8.240 nan 0.000 0.534 68 G N 2.643 111.433 108.800 -0.017 0.000 2.527 68 G HA2 0.045 4.005 3.960 -0.000 0.000 0.218 68 G HA3 0.045 4.005 3.960 -0.000 0.000 0.218 68 G C 0.185 175.079 174.900 -0.010 0.000 1.177 68 G CA -0.148 44.945 45.100 -0.013 0.000 0.695 68 G HN 1.531 nan 8.290 nan 0.000 0.517 69 A N -0.850 121.964 122.820 -0.010 0.000 2.490 69 A HA 0.702 5.022 4.320 -0.000 0.000 0.292 69 A C -3.316 174.263 177.584 -0.009 0.000 1.047 69 A CA 0.051 52.083 52.037 -0.008 0.000 0.632 69 A CB 0.060 19.057 19.000 -0.005 0.000 1.323 69 A HN 0.459 nan 8.150 nan 0.000 0.448 70 P HA 0.357 nan 4.420 nan 0.000 0.266 70 P C -0.594 176.700 177.300 -0.009 0.000 1.215 70 P CA 0.729 63.823 63.100 -0.010 0.000 0.763 70 P CB 0.601 32.296 31.700 -0.009 0.000 0.806 71 T N 2.791 117.338 114.554 -0.013 0.000 2.881 71 T HA 0.525 4.875 4.350 -0.000 0.000 0.290 71 T C -0.467 174.222 174.700 -0.018 0.000 1.000 71 T CA -0.402 61.691 62.100 -0.012 0.000 0.978 71 T CB 1.195 70.056 68.868 -0.012 0.000 0.997 71 T HN 0.126 nan 8.240 nan 0.000 0.443 72 T N 2.325 116.867 114.554 -0.021 0.000 2.861 72 T HA 0.767 5.117 4.350 -0.000 0.000 0.287 72 T C -0.863 173.814 174.700 -0.039 0.000 1.003 72 T CA -0.658 61.423 62.100 -0.032 0.000 0.977 72 T CB 1.598 70.445 68.868 -0.035 0.000 0.996 72 T HN 0.774 nan 8.240 nan 0.000 0.448 73 A N 2.478 125.267 122.820 -0.051 0.000 2.374 73 A HA 0.801 5.121 4.320 -0.000 0.000 0.305 73 A C -0.954 176.569 177.584 -0.101 0.000 1.053 73 A CA -0.626 51.377 52.037 -0.058 0.000 0.726 73 A CB 1.192 20.175 19.000 -0.028 0.000 1.229 73 A HN 0.661 nan 8.150 nan 0.000 0.431 74 V N 2.969 122.781 119.914 -0.170 0.000 2.540 74 V HA 0.618 4.738 4.120 -0.000 0.000 0.302 74 V C -0.538 175.413 176.094 -0.239 0.000 1.035 74 V CA -0.434 61.712 62.300 -0.258 0.000 0.873 74 V CB 1.496 33.041 31.823 -0.462 0.000 0.992 74 V HN 0.834 nan 8.190 nan 0.000 0.428 75 L N 4.245 125.413 121.223 -0.092 0.000 2.409 75 L HA 0.906 5.246 4.340 -0.000 0.000 0.272 75 L C -0.086 176.884 176.870 0.166 0.000 0.980 75 L CA -0.357 54.528 54.840 0.074 0.000 0.826 75 L CB 1.646 43.737 42.059 0.053 0.000 1.268 75 L HN 0.742 nan 8.230 nan 0.000 0.407 76 A N 3.869 126.910 122.820 0.368 0.000 2.276 76 A HA 0.881 5.201 4.320 -0.000 0.000 0.316 76 A C 0.408 178.139 177.584 0.245 0.000 1.229 76 A CA 0.446 52.661 52.037 0.298 0.000 0.851 76 A CB 0.625 19.823 19.000 0.329 0.000 1.165 76 A HN 1.366 nan 8.150 nan 0.000 0.513 77 G N 1.541 110.400 108.800 0.098 0.000 2.378 77 G HA2 0.259 4.219 3.960 -0.000 0.000 0.198 77 G HA3 0.259 4.219 3.960 -0.000 0.000 0.198 77 G C -0.640 174.243 174.900 -0.028 0.000 1.223 77 G CA -0.025 45.143 45.100 0.112 0.000 1.088 77 G HN 1.693 nan 8.290 nan 0.000 0.530 78 E N -1.404 118.825 120.200 0.048 0.000 2.430 78 E HA 0.683 5.033 4.350 -0.000 0.000 0.279 78 E C -1.270 175.148 176.600 -0.304 0.000 1.003 78 E CA -1.157 55.150 56.400 -0.155 0.000 0.801 78 E CB 1.890 31.457 29.700 -0.221 0.000 1.313 78 E HN 0.739 nan 8.360 nan 0.000 0.459 79 I N 1.389 121.734 120.570 -0.374 0.000 2.493 79 I HA 0.248 4.418 4.170 -0.000 0.000 0.298 79 I C -0.390 175.476 176.117 -0.419 0.000 0.998 79 I CA -0.797 60.284 61.300 -0.364 0.000 1.137 79 I CB 1.042 38.902 38.000 -0.234 0.000 1.310 79 I HN 0.582 nan 8.210 nan 0.000 0.445 80 Y N 1.924 122.276 120.300 0.087 0.000 2.524 80 Y HA 0.042 4.592 4.550 -0.000 0.000 0.270 80 Y C 1.384 177.308 175.900 0.040 0.000 1.094 80 Y CA -0.305 57.837 58.100 0.070 0.000 1.276 80 Y CB -0.018 38.496 38.460 0.089 0.000 1.130 80 Y HN 0.559 nan 8.280 nan 0.000 0.536 81 N N 1.252 120.042 118.700 0.149 0.000 3.131 81 N HA 0.097 4.837 4.740 -0.000 0.000 0.312 81 N C 0.555 176.087 175.510 0.036 0.000 1.433 81 N CA -0.145 52.958 53.050 0.088 0.000 1.141 81 N CB -0.080 38.453 38.487 0.077 0.000 1.431 81 N HN 0.273 nan 8.380 nan 0.000 0.523 82 R N 0.212 120.727 120.500 0.026 0.000 2.070 82 R HA -0.072 4.268 4.340 -0.000 0.000 0.233 82 R C 0.725 177.027 176.300 0.003 0.000 1.137 82 R CA 1.474 57.572 56.100 -0.003 0.000 0.945 82 R CB -0.087 30.206 30.300 -0.010 0.000 0.845 82 R HN 0.286 nan 8.270 nan 0.000 0.430 83 D N 0.742 121.150 120.400 0.014 0.000 2.133 83 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 83 D C 1.809 178.116 176.300 0.012 0.000 0.997 83 D CA 1.409 55.416 54.000 0.011 0.000 0.840 83 D CB -0.092 40.717 40.800 0.015 0.000 0.947 83 D HN 0.234 nan 8.370 nan 0.000 0.452 84 E N 0.826 121.036 120.200 0.016 0.000 2.007 84 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 84 E C 2.405 179.013 176.600 0.013 0.000 0.999 84 E CA 0.363 56.772 56.400 0.015 0.000 0.811 84 E CB -0.554 29.156 29.700 0.016 0.000 0.762 84 E HN 0.214 nan 8.360 nan 0.000 0.450 85 L N 0.100 121.327 121.223 0.006 0.000 2.081 85 L HA -0.213 4.126 4.340 -0.000 0.000 0.212 85 L C 2.139 179.019 176.870 0.016 0.000 1.080 85 L CA 0.561 55.404 54.840 0.005 0.000 0.754 85 L CB -0.318 41.730 42.059 -0.018 0.000 0.893 85 L HN 0.195 nan 8.230 nan 0.000 0.433 86 L N -0.378 120.849 121.223 0.006 0.000 2.291 86 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 86 L C 2.747 179.624 176.870 0.012 0.000 1.120 86 L CA 1.790 56.632 54.840 0.004 0.000 0.799 86 L CB -0.635 41.422 42.059 -0.004 0.000 0.925 86 L HN 0.327 nan 8.230 nan 0.000 0.446 87 S N -1.671 114.039 115.700 0.018 0.000 2.522 87 S HA -0.051 4.418 4.470 -0.000 0.000 0.227 87 S C 1.587 176.207 174.600 0.034 0.000 0.986 87 S CA 0.727 58.939 58.200 0.020 0.000 0.929 87 S CB -0.597 62.614 63.200 0.019 0.000 0.769 87 S HN 0.273 nan 8.310 nan 0.000 0.529 88 V N -1.361 118.587 119.914 0.056 0.000 3.647 88 V HA 0.477 4.597 4.120 -0.000 0.000 0.279 88 V C 0.445 176.579 176.094 0.068 0.000 1.314 88 V CA -0.319 62.038 62.300 0.095 0.000 1.125 88 V CB -0.861 31.078 31.823 0.192 0.000 0.907 88 V HN 0.392 nan 8.190 nan 0.000 0.434 89 L N 0.249 121.493 121.223 0.035 0.000 2.387 89 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 89 L C -2.182 174.679 176.870 -0.015 0.000 1.059 89 L CA -1.935 52.904 54.840 -0.001 0.000 0.801 89 L CB 0.691 42.748 42.059 -0.004 0.000 1.223 89 L HN -0.061 nan 8.230 nan 0.000 0.456 90 P HA 0.082 nan 4.420 nan 0.000 0.252 90 P C -0.420 176.867 177.300 -0.022 0.000 1.694 90 P CA -0.127 62.956 63.100 -0.028 0.000 1.163 90 P CB 0.125 31.803 31.700 -0.037 0.000 1.934 91 A N 2.553 125.365 122.820 -0.015 0.000 2.632 91 A HA 0.306 4.626 4.320 -0.000 0.000 0.231 91 A C 1.426 179.001 177.584 -0.016 0.000 1.027 91 A CA 1.285 53.314 52.037 -0.013 0.000 0.759 91 A CB -0.515 18.480 19.000 -0.009 0.000 0.939 91 A HN 0.643 nan 8.150 nan 0.000 0.505 92 G N 1.332 110.123 108.800 -0.016 0.000 1.838 92 G HA2 0.035 3.995 3.960 -0.000 0.000 0.067 92 G HA3 0.035 3.995 3.960 -0.000 0.000 0.067 92 G C -2.119 172.770 174.900 -0.019 0.000 1.666 92 G CA 0.021 45.111 45.100 -0.017 0.000 1.135 92 G HN 1.120 nan 8.290 nan 0.000 0.333 93 P HA 0.522 nan 4.420 nan 0.000 0.235 93 P C 0.378 177.662 177.300 -0.026 0.000 1.765 93 P CA 0.873 63.958 63.100 -0.024 0.000 1.034 93 P CB -0.055 31.630 31.700 -0.026 0.000 1.984 94 A N 4.903 127.708 122.820 -0.025 0.000 2.584 94 A HA 0.206 4.526 4.320 -0.000 0.000 0.239 94 A C -1.395 176.170 177.584 -0.032 0.000 1.043 94 A CA -0.754 51.267 52.037 -0.027 0.000 0.756 94 A CB -0.817 18.169 19.000 -0.024 0.000 0.963 94 A HN 0.373 nan 8.150 nan 0.000 0.511 95 P HA 0.079 nan 4.420 nan 0.000 0.272 95 P C 0.232 177.505 177.300 -0.046 0.000 1.223 95 P CA -0.130 62.944 63.100 -0.043 0.000 0.784 95 P CB 0.630 32.301 31.700 -0.049 0.000 0.923 96 E N 0.956 121.126 120.200 -0.049 0.000 2.489 96 E HA 0.236 4.586 4.350 -0.000 0.000 0.193 96 E C 0.664 177.226 176.600 -0.063 0.000 1.057 96 E CA -0.248 56.120 56.400 -0.052 0.000 0.866 96 E CB 0.003 29.672 29.700 -0.051 0.000 0.916 96 E HN 0.566 nan 8.360 nan 0.000 0.500 97 G N 0.105 108.864 108.800 -0.069 0.000 2.550 97 G HA2 0.076 4.036 3.960 -0.000 0.000 0.293 97 G HA3 0.076 4.036 3.960 -0.000 0.000 0.293 97 G C -0.885 173.962 174.900 -0.088 0.000 1.402 97 G CA -0.313 44.737 45.100 -0.082 0.000 0.784 97 G HN -0.079 nan 8.290 nan 0.000 0.482 98 D N -0.053 120.285 120.400 -0.104 0.000 2.144 98 D HA -0.002 4.638 4.640 -0.000 0.000 0.200 98 D C 2.630 178.864 176.300 -0.110 0.000 0.978 98 D CA 1.625 55.552 54.000 -0.121 0.000 0.833 98 D CB -0.175 40.538 40.800 -0.145 0.000 0.961 98 D HN 0.482 nan 8.370 nan 0.000 0.470 99 A N 0.742 123.509 122.820 -0.089 0.000 1.902 99 A HA -0.201 4.118 4.320 -0.000 0.000 0.217 99 A C 2.117 179.662 177.584 -0.065 0.000 1.181 99 A CA 1.635 53.631 52.037 -0.069 0.000 0.623 99 A CB -0.533 18.426 19.000 -0.069 0.000 0.818 99 A HN 0.241 nan 8.150 nan 0.000 0.443 100 E N -0.723 119.436 120.200 -0.068 0.000 2.152 100 E HA -0.138 4.211 4.350 -0.000 0.000 0.192 100 E C 1.876 178.438 176.600 -0.063 0.000 0.983 100 E CA 0.923 57.286 56.400 -0.060 0.000 0.818 100 E CB -0.134 29.531 29.700 -0.057 0.000 0.758 100 E HN 0.457 nan 8.360 nan 0.000 0.467 101 L N 0.397 121.576 121.223 -0.073 0.000 2.017 101 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 101 L C 2.223 179.041 176.870 -0.086 0.000 1.073 101 L CA 1.409 56.204 54.840 -0.076 0.000 0.745 101 L CB -0.566 41.439 42.059 -0.089 0.000 0.894 101 L HN 0.012 nan 8.230 nan 0.000 0.432 102 V N -0.606 119.247 119.914 -0.101 0.000 2.287 102 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 102 V C 2.558 178.593 176.094 -0.099 0.000 1.053 102 V CA 1.819 64.051 62.300 -0.114 0.000 1.027 102 V CB -0.573 31.215 31.823 -0.059 0.000 0.646 102 V HN 0.422 nan 8.190 nan 0.000 0.447 103 L N -0.285 120.900 121.223 -0.064 0.000 2.017 103 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 103 L C 2.641 179.474 176.870 -0.060 0.000 1.073 103 L CA 1.870 56.678 54.840 -0.053 0.000 0.745 103 L CB -0.859 41.175 42.059 -0.042 0.000 0.894 103 L HN 0.197 nan 8.230 nan 0.000 0.432 104 R N -0.609 119.856 120.500 -0.058 0.000 2.105 104 R HA -0.117 4.222 4.340 -0.000 0.000 0.239 104 R C 2.222 178.489 176.300 -0.055 0.000 1.135 104 R CA 1.322 57.389 56.100 -0.054 0.000 0.967 104 R CB -0.963 29.308 30.300 -0.047 0.000 0.861 104 R HN 0.388 nan 8.270 nan 0.000 0.442 105 L N 0.201 121.393 121.223 -0.051 0.000 2.072 105 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 105 L C 2.406 179.262 176.870 -0.024 0.000 1.079 105 L CA 0.825 55.664 54.840 -0.002 0.000 0.752 105 L CB -0.412 41.631 42.059 -0.026 0.000 0.906 105 L HN 0.077 nan 8.230 nan 0.000 0.436 106 L N -0.425 120.737 121.223 -0.101 0.000 2.191 106 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 106 L C 2.318 179.149 176.870 -0.064 0.000 1.103 106 L CA 1.113 55.890 54.840 -0.105 0.000 0.769 106 L CB -0.388 41.607 42.059 -0.106 0.000 0.908 106 L HN 0.312 nan 8.230 nan 0.000 0.438 107 E N -0.604 119.553 120.200 -0.071 0.000 2.285 107 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 107 E C 2.115 178.647 176.600 -0.114 0.000 0.997 107 E CA 0.425 56.781 56.400 -0.074 0.000 0.845 107 E CB 0.140 29.799 29.700 -0.069 0.000 0.782 107 E HN 0.371 nan 8.360 nan 0.000 0.491 108 R N -0.422 119.976 120.500 -0.171 0.000 2.123 108 R HA 0.010 4.350 4.340 -0.000 0.000 0.209 108 R C 0.903 176.943 176.300 -0.433 0.000 1.078 108 R CA 0.643 56.526 56.100 -0.361 0.000 1.028 108 R CB 0.314 30.277 30.300 -0.561 0.000 0.939 108 R HN 0.123 nan 8.270 nan 0.000 0.463 109 Y N 0.518 120.799 120.300 -0.032 0.000 2.481 109 Y HA 0.258 4.808 4.550 -0.000 0.000 0.247 109 Y C 0.180 176.110 175.900 0.049 0.000 1.151 109 Y CA -0.102 58.005 58.100 0.012 0.000 1.238 109 Y CB 0.226 38.686 38.460 0.000 0.000 1.179 109 Y HN 0.189 nan 8.280 nan 0.000 0.524 110 D N -0.153 120.298 120.400 0.085 0.000 3.395 110 D HA -0.305 4.335 4.640 -0.000 0.000 0.238 110 D C 1.093 177.370 176.300 -0.039 0.000 1.741 110 D CA 1.799 55.811 54.000 0.021 0.000 1.135 110 D CB -0.517 40.307 40.800 0.039 0.000 0.767 110 D HN 0.104 nan 8.370 nan 0.000 0.934 111 L N -1.337 119.829 121.223 -0.095 0.000 2.349 111 L HA 0.041 4.381 4.340 -0.000 0.000 0.220 111 L C 1.987 178.804 176.870 -0.088 0.000 1.130 111 L CA 2.060 56.858 54.840 -0.070 0.000 0.791 111 L CB -1.182 40.819 42.059 -0.096 0.000 0.918 111 L HN 0.478 nan 8.230 nan 0.000 0.444 112 H N 0.298 119.378 119.070 0.016 0.000 2.545 112 H HA 0.205 4.761 4.556 -0.000 0.000 0.282 112 H C 2.310 177.613 175.328 -0.042 0.000 1.020 112 H CA 0.734 56.797 56.048 0.026 0.000 1.243 112 H CB -0.042 29.742 29.762 0.037 0.000 1.377 112 H HN 0.546 nan 8.280 nan 0.000 0.581 113 A N 0.680 123.474 122.820 -0.043 0.000 1.948 113 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 113 A C 1.672 179.131 177.584 -0.208 0.000 1.177 113 A CA 1.330 53.248 52.037 -0.198 0.000 0.636 113 A CB -1.005 17.799 19.000 -0.328 0.000 0.815 113 A HN 0.440 nan 8.150 nan 0.000 0.449 114 F N -0.421 119.590 119.950 0.102 0.000 2.546 114 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 114 F C 2.381 178.282 175.800 0.170 0.000 1.120 114 F CA 0.859 58.956 58.000 0.163 0.000 1.456 114 F CB -0.098 39.026 39.000 0.207 0.000 1.088 114 F HN 0.141 nan 8.300 nan 0.000 0.572 115 R N 0.021 120.668 120.500 0.244 0.000 2.276 115 R HA 0.020 4.360 4.340 -0.000 0.000 0.203 115 R C 1.577 177.951 176.300 0.123 0.000 1.017 115 R CA 0.662 56.885 56.100 0.205 0.000 1.010 115 R CB -0.134 30.258 30.300 0.152 0.000 0.900 115 R HN 0.379 nan 8.270 nan 0.000 0.469 116 L N -0.023 121.227 121.223 0.044 0.000 2.463 116 L HA 0.123 4.463 4.340 -0.000 0.000 0.219 116 L C 0.416 177.316 176.870 0.049 0.000 1.088 116 L CA -0.053 54.778 54.840 -0.016 0.000 0.849 116 L CB 0.317 42.280 42.059 -0.160 0.000 1.012 116 L HN -0.148 nan 8.230 nan 0.000 0.468 117 V N 1.623 121.609 119.914 0.120 0.000 2.521 117 V HA -0.015 4.104 4.120 -0.000 0.000 0.286 117 V C 0.103 176.343 176.094 0.244 0.000 1.034 117 V CA -0.039 62.347 62.300 0.144 0.000 1.045 117 V CB 0.728 32.621 31.823 0.117 0.000 0.974 117 V HN 0.330 nan 8.190 nan 0.000 0.480 118 N N 3.685 122.499 118.700 0.189 0.000 2.511 118 N HA 0.627 5.367 4.740 -0.000 0.000 0.249 118 N C -0.138 175.577 175.510 0.341 0.000 0.971 118 N CA 0.043 53.236 53.050 0.238 0.000 0.938 118 N CB 1.236 39.812 38.487 0.148 0.000 1.131 118 N HN 0.865 nan 8.380 nan 0.000 0.505 119 G N 1.823 110.925 108.800 0.502 0.000 2.561 119 G HA2 0.305 4.265 3.960 -0.000 0.000 0.310 119 G HA3 0.305 4.265 3.960 -0.000 0.000 0.310 119 G C -1.655 173.580 174.900 0.557 0.000 1.292 119 G CA -0.772 44.604 45.100 0.459 0.000 0.811 119 G HN 0.496 nan 8.290 nan 0.000 0.482 120 R N 0.048 120.826 120.500 0.463 0.000 2.513 120 R HA 0.597 4.937 4.340 -0.000 0.000 0.283 120 R C -1.174 175.383 176.300 0.429 0.000 1.535 120 R CA -0.592 55.752 56.100 0.407 0.000 1.315 120 R CB 0.039 30.654 30.300 0.524 0.000 1.163 120 R HN 0.623 nan 8.270 nan 0.000 0.573 121 F N 0.357 120.395 119.950 0.148 0.000 2.745 121 F HA 0.908 5.435 4.527 -0.000 0.000 0.316 121 F C -1.895 173.968 175.800 0.105 0.000 1.155 121 F CA -1.330 56.752 58.000 0.137 0.000 0.937 121 F CB 1.268 40.329 39.000 0.102 0.000 1.361 121 F HN 0.213 nan 8.300 nan 0.000 0.472 122 A N 0.931 123.878 122.820 0.212 0.000 2.488 122 A HA 0.712 5.032 4.320 -0.000 0.000 0.295 122 A C -1.176 176.684 177.584 0.459 0.000 1.045 122 A CA -0.194 51.924 52.037 0.135 0.000 0.703 122 A CB 1.416 20.442 19.000 0.043 0.000 1.271 122 A HN 1.272 nan 8.150 nan 0.000 0.400 123 T N 0.231 115.011 114.554 0.378 0.000 2.883 123 T HA 0.684 5.034 4.350 -0.000 0.000 0.301 123 T C -1.801 172.989 174.700 0.150 0.000 1.158 123 T CA -0.203 62.069 62.100 0.286 0.000 1.007 123 T CB 1.570 70.619 68.868 0.302 0.000 1.186 123 T HN 1.967 nan 8.240 nan 0.000 0.499 124 V N 3.910 123.804 119.914 -0.032 0.000 2.760 124 V HA 0.890 5.010 4.120 -0.000 0.000 0.309 124 V C -1.564 174.502 176.094 -0.046 0.000 1.077 124 V CA -0.298 61.984 62.300 -0.030 0.000 0.910 124 V CB 1.802 33.580 31.823 -0.075 0.000 1.008 124 V HN 0.873 nan 8.190 nan 0.000 0.424 125 V N 6.561 126.487 119.914 0.021 0.000 2.841 125 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 125 V C -0.441 175.666 176.094 0.022 0.000 1.090 125 V CA -0.810 61.504 62.300 0.024 0.000 0.930 125 V CB 2.180 34.051 31.823 0.080 0.000 1.014 125 V HN 0.974 nan 8.190 nan 0.000 0.425 126 R N 1.460 121.964 120.500 0.005 0.000 2.561 126 R HA 0.721 5.061 4.340 -0.000 0.000 0.297 126 R C -1.183 175.121 176.300 0.006 0.000 0.969 126 R CA -0.217 55.887 56.100 0.008 0.000 0.879 126 R CB 1.962 32.261 30.300 -0.001 0.000 1.178 126 R HN 0.791 nan 8.270 nan 0.000 0.445 127 T N 3.049 117.609 114.554 0.010 0.000 3.050 127 T HA 0.512 4.861 4.350 -0.000 0.000 0.310 127 T C 0.320 175.023 174.700 0.005 0.000 0.978 127 T CA 0.693 62.797 62.100 0.005 0.000 1.013 127 T CB 0.826 69.699 68.868 0.007 0.000 1.000 127 T HN 0.976 nan 8.240 nan 0.000 0.447 128 G N 5.018 113.819 108.800 0.001 0.000 2.556 128 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.283 128 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.283 128 G C 0.055 174.956 174.900 0.003 0.000 1.177 128 G CA 0.474 45.574 45.100 0.001 0.000 0.978 128 G HN 0.669 nan 8.290 nan 0.000 0.554 129 D N 1.197 121.599 120.400 0.003 0.000 2.427 129 D HA 0.233 4.873 4.640 -0.000 0.000 0.224 129 D C 1.085 177.389 176.300 0.005 0.000 1.157 129 D CA 0.091 54.092 54.000 0.002 0.000 0.828 129 D CB 0.197 40.996 40.800 -0.001 0.000 0.974 129 D HN 0.460 nan 8.370 nan 0.000 0.498 130 R N 0.659 121.165 120.500 0.010 0.000 2.393 130 R HA 0.503 4.842 4.340 -0.000 0.000 0.310 130 R C -1.265 175.048 176.300 0.023 0.000 0.968 130 R CA -0.449 55.662 56.100 0.017 0.000 0.867 130 R CB 1.249 31.562 30.300 0.021 0.000 1.124 130 R HN -0.230 nan 8.270 nan 0.000 0.450 131 V N 6.545 126.476 119.914 0.029 0.000 2.487 131 V HA 0.390 4.510 4.120 -0.000 0.000 0.298 131 V C -0.344 175.781 176.094 0.052 0.000 1.028 131 V CA -0.775 61.546 62.300 0.036 0.000 0.860 131 V CB 1.730 33.571 31.823 0.030 0.000 0.991 131 V HN 0.666 nan 8.190 nan 0.000 0.427 132 L N 5.890 127.155 121.223 0.069 0.000 2.317 132 L HA 0.654 4.994 4.340 -0.000 0.000 0.281 132 L C -0.788 176.123 176.870 0.067 0.000 1.024 132 L CA -0.485 54.411 54.840 0.094 0.000 0.810 132 L CB 1.671 43.833 42.059 0.171 0.000 1.240 132 L HN 0.402 nan 8.230 nan 0.000 0.427 133 L N 3.296 124.537 121.223 0.029 0.000 2.376 133 L HA 0.838 5.178 4.340 -0.000 0.000 0.275 133 L C -0.368 176.426 176.870 -0.126 0.000 0.987 133 L CA -0.358 54.479 54.840 -0.005 0.000 0.828 133 L CB 1.862 43.937 42.059 0.026 0.000 1.249 133 L HN 0.738 nan 8.230 nan 0.000 0.409 134 A N 1.880 124.564 122.820 -0.228 0.000 2.515 134 A HA 0.967 5.287 4.320 -0.000 0.000 0.296 134 A C -0.483 176.911 177.584 -0.317 0.000 1.094 134 A CA -0.491 51.277 52.037 -0.447 0.000 0.718 134 A CB 2.118 20.302 19.000 -1.360 0.000 1.307 134 A HN 0.613 nan 8.150 nan 0.000 0.408 135 T N -1.217 113.116 114.554 -0.369 0.000 2.887 135 T HA 0.669 5.019 4.350 -0.000 0.000 0.292 135 T C -0.506 173.797 174.700 -0.662 0.000 1.087 135 T CA -0.392 61.410 62.100 -0.498 0.000 1.009 135 T CB 1.184 69.876 68.868 -0.293 0.000 1.203 135 T HN 0.791 nan 8.240 nan 0.000 0.518 136 D N -0.864 119.006 120.400 -0.882 0.000 2.398 136 D HA 0.103 4.743 4.640 -0.000 0.000 0.247 136 D C 1.620 177.787 176.300 -0.222 0.000 1.227 136 D CA -0.569 53.114 54.000 -0.529 0.000 0.980 136 D CB 0.216 40.771 40.800 -0.408 0.000 1.106 136 D HN 0.786 nan 8.370 nan 0.000 0.493 137 H N -0.869 118.156 119.070 -0.074 0.000 2.431 137 H HA -0.187 4.369 4.556 -0.000 0.000 0.297 137 H C 1.204 176.441 175.328 -0.151 0.000 1.115 137 H CA 1.769 57.699 56.048 -0.196 0.000 1.277 137 H CB -0.484 28.800 29.762 -0.796 0.000 1.372 137 H HN 0.470 nan 8.280 nan 0.000 0.516 138 A N 0.299 122.651 122.820 -0.779 0.000 2.252 138 A HA 0.406 4.726 4.320 -0.000 0.000 0.213 138 A C 1.941 179.582 177.584 0.095 0.000 1.188 138 A CA 0.668 52.620 52.037 -0.142 0.000 0.863 138 A CB -0.182 18.748 19.000 -0.116 0.000 0.893 138 A HN 0.771 nan 8.150 nan 0.000 0.495 139 G N 0.690 109.425 108.800 -0.108 0.000 2.272 139 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 139 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 139 G C 0.746 175.585 174.900 -0.103 0.000 1.067 139 G CA 0.923 45.958 45.100 -0.109 0.000 0.902 139 G HN 1.335 nan 8.290 nan 0.000 0.500 140 S N -2.254 113.370 115.700 -0.126 0.000 2.607 140 S HA 0.350 4.819 4.470 -0.000 0.000 0.224 140 S C 0.745 175.291 174.600 -0.091 0.000 0.969 140 S CA 0.745 58.889 58.200 -0.093 0.000 0.927 140 S CB 0.805 63.986 63.200 -0.033 0.000 0.772 140 S HN 0.943 nan 8.310 nan 0.000 0.533 141 V N 3.080 122.925 119.914 -0.114 0.000 2.315 141 V HA 0.383 4.503 4.120 -0.000 0.000 0.265 141 V C -2.683 173.323 176.094 -0.146 0.000 1.019 141 V CA -2.038 60.208 62.300 -0.090 0.000 0.824 141 V CB 0.631 32.439 31.823 -0.025 0.000 1.072 141 V HN 0.115 nan 8.190 nan 0.000 0.448 142 P HA -0.044 nan 4.420 nan 0.000 0.264 142 P C -0.750 176.362 177.300 -0.312 0.000 1.156 142 P CA 0.480 63.430 63.100 -0.249 0.000 0.756 142 P CB 0.363 32.017 31.700 -0.077 0.000 0.764 143 L N 5.539 126.457 121.223 -0.509 0.000 2.439 143 L HA 0.481 4.821 4.340 -0.000 0.000 0.270 143 L C -1.563 175.041 176.870 -0.444 0.000 0.972 143 L CA -0.605 54.037 54.840 -0.330 0.000 0.836 143 L CB 0.941 42.901 42.059 -0.166 0.000 1.255 143 L HN 0.237 nan 8.230 nan 0.000 0.404 144 Y N 2.161 122.471 120.300 0.016 0.000 2.602 144 Y HA 0.859 5.409 4.550 -0.000 0.000 0.330 144 Y C 0.449 176.407 175.900 0.097 0.000 1.114 144 Y CA -0.672 57.465 58.100 0.062 0.000 1.182 144 Y CB 2.340 40.832 38.460 0.053 0.000 1.305 144 Y HN 0.595 nan 8.280 nan 0.000 0.502 145 T N 0.113 114.846 114.554 0.298 0.000 3.012 145 T HA 0.423 4.772 4.350 -0.000 0.000 0.330 145 T C -2.044 172.801 174.700 0.241 0.000 1.321 145 T CA -0.512 61.723 62.100 0.226 0.000 1.067 145 T CB 0.421 69.386 68.868 0.163 0.000 1.235 145 T HN 0.730 nan 8.240 nan 0.000 0.479 146 C N 4.530 123.946 119.300 0.194 0.000 2.264 146 C HA 0.695 5.155 4.460 -0.000 0.000 0.322 146 C C -0.081 175.008 174.990 0.165 0.000 1.210 146 C CA -0.699 58.443 59.018 0.207 0.000 1.539 146 C CB -0.400 27.439 27.740 0.167 0.000 2.167 146 C HN 0.718 nan 8.230 nan 0.000 0.463 147 V N 3.891 123.900 119.914 0.158 0.000 2.370 147 V HA 0.804 4.923 4.120 -0.000 0.000 0.283 147 V C 0.330 176.493 176.094 0.116 0.000 1.023 147 V CA 0.018 62.374 62.300 0.092 0.000 0.857 147 V CB 1.308 33.143 31.823 0.020 0.000 0.985 147 V HN 0.966 nan 8.190 nan 0.000 0.443 148 A N 6.692 129.545 122.820 0.056 0.000 2.449 148 A HA 0.891 5.210 4.320 -0.000 0.000 0.302 148 A C -3.043 174.437 177.584 -0.173 0.000 1.048 148 A CA -2.002 50.012 52.037 -0.040 0.000 0.708 148 A CB 1.933 21.068 19.000 0.224 0.000 1.274 148 A HN 0.603 nan 8.150 nan 0.000 0.410 149 P HA 0.229 nan 4.420 nan 0.000 0.258 149 P C 1.122 178.360 177.300 -0.103 0.000 1.187 149 P CA 2.436 65.394 63.100 -0.237 0.000 0.767 149 P CB 0.462 31.982 31.700 -0.301 0.000 0.770 150 G N 2.570 111.334 108.800 -0.061 0.000 2.241 150 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 150 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 150 G C 0.023 174.923 174.900 -0.001 0.000 0.998 150 G CA -0.289 44.798 45.100 -0.021 0.000 0.621 150 G HN 0.543 nan 8.290 nan 0.000 0.519 151 E N -0.313 119.891 120.200 0.007 0.000 2.246 151 E HA 0.576 4.926 4.350 -0.000 0.000 0.266 151 E C -1.221 175.401 176.600 0.035 0.000 0.880 151 E CA -0.623 55.793 56.400 0.027 0.000 0.762 151 E CB 2.773 32.501 29.700 0.047 0.000 1.180 151 E HN 0.153 nan 8.360 nan 0.000 0.416 152 V N 4.235 124.171 119.914 0.037 0.000 2.488 152 V HA 0.383 4.503 4.120 -0.000 0.000 0.293 152 V C -0.483 175.649 176.094 0.064 0.000 1.027 152 V CA -0.698 61.632 62.300 0.051 0.000 0.862 152 V CB 1.659 33.507 31.823 0.040 0.000 1.008 152 V HN 0.547 nan 8.190 nan 0.000 0.428 153 R N 3.039 123.588 120.500 0.081 0.000 2.445 153 R HA 0.855 5.195 4.340 -0.000 0.000 0.308 153 R C -0.365 176.018 176.300 0.140 0.000 0.961 153 R CA -0.405 55.752 56.100 0.095 0.000 0.862 153 R CB 2.313 32.653 30.300 0.066 0.000 1.144 153 R HN 0.768 nan 8.270 nan 0.000 0.447 154 A N 1.488 124.417 122.820 0.182 0.000 2.355 154 A HA 0.716 5.036 4.320 -0.000 0.000 0.324 154 A C -0.752 177.019 177.584 0.312 0.000 1.117 154 A CA -0.585 51.605 52.037 0.255 0.000 0.785 154 A CB 2.018 21.198 19.000 0.300 0.000 1.254 154 A HN 0.567 nan 8.150 nan 0.000 0.453 155 S N -0.622 115.231 115.700 0.256 0.000 2.537 155 S HA 0.496 4.966 4.470 -0.000 0.000 0.271 155 S C 0.390 175.003 174.600 0.021 0.000 1.148 155 S CA 0.287 58.581 58.200 0.156 0.000 0.868 155 S CB 1.129 64.453 63.200 0.206 0.000 1.115 155 S HN 1.449 nan 8.310 nan 0.000 0.461 156 T N 0.131 114.540 114.554 -0.241 0.000 3.144 156 T HA 0.396 4.746 4.350 -0.000 0.000 0.249 156 T C 0.022 174.768 174.700 0.076 0.000 1.089 156 T CA 0.060 62.024 62.100 -0.227 0.000 0.989 156 T CB -0.363 68.179 68.868 -0.543 0.000 0.992 156 T HN 0.582 nan 8.240 nan 0.000 0.540 157 E N -0.035 120.268 120.200 0.173 0.000 2.274 157 E HA 0.572 4.922 4.350 -0.000 0.000 0.269 157 E C 0.364 176.849 176.600 -0.193 0.000 0.891 157 E CA -0.635 55.797 56.400 0.052 0.000 0.784 157 E CB 1.925 31.698 29.700 0.120 0.000 1.225 157 E HN 0.109 nan 8.360 nan 0.000 0.412 158 A N 3.629 125.979 122.820 -0.784 0.000 2.019 158 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 158 A C 1.915 179.285 177.584 -0.357 0.000 1.164 158 A CA 1.537 53.108 52.037 -0.778 0.000 0.644 158 A CB -0.446 17.911 19.000 -1.073 0.000 0.805 158 A HN 0.628 nan 8.150 nan 0.000 0.449 159 K N -0.402 119.808 120.400 -0.316 0.000 2.209 159 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 159 K C 1.769 178.263 176.600 -0.177 0.000 1.048 159 K CA 1.290 57.435 56.287 -0.236 0.000 0.940 159 K CB -0.412 31.945 32.500 -0.239 0.000 0.729 159 K HN 0.249 nan 8.250 nan 0.000 0.451 160 A N 0.879 123.595 122.820 -0.173 0.000 2.016 160 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 160 A C 1.791 179.308 177.584 -0.111 0.000 1.162 160 A CA 0.593 52.511 52.037 -0.198 0.000 0.662 160 A CB -0.059 18.783 19.000 -0.263 0.000 0.812 160 A HN 0.233 nan 8.150 nan 0.000 0.450 161 L N -0.955 120.222 121.223 -0.076 0.000 2.607 161 L HA 0.302 4.642 4.340 -0.000 0.000 0.228 161 L C 1.789 178.643 176.870 -0.026 0.000 1.123 161 L CA 0.549 55.372 54.840 -0.028 0.000 0.890 161 L CB -0.392 41.681 42.059 0.023 0.000 1.103 161 L HN 0.310 nan 8.230 nan 0.000 0.468 162 A N -0.020 122.764 122.820 -0.060 0.000 2.958 162 A HA 0.636 4.956 4.320 -0.000 0.000 0.247 162 A C 0.616 178.190 177.584 -0.017 0.000 1.679 162 A CA 0.622 52.633 52.037 -0.042 0.000 1.345 162 A CB -1.036 17.915 19.000 -0.082 0.000 1.013 162 A HN 0.228 nan 8.150 nan 0.000 0.641 163 A N 0.011 122.836 122.820 0.008 0.000 2.604 163 A HA 0.768 5.088 4.320 -0.000 0.000 0.295 163 A C -0.873 176.764 177.584 0.088 0.000 1.067 163 A CA -0.457 51.598 52.037 0.031 0.000 0.683 163 A CB 1.213 20.212 19.000 -0.002 0.000 1.281 163 A HN 0.593 nan 8.150 nan 0.000 0.407 170 F N 0.859 120.866 119.950 0.094 0.000 2.541 170 F HA 0.671 5.198 4.527 -0.000 0.000 0.331 170 F C -1.664 174.150 175.800 0.023 0.000 1.057 170 F CA -2.438 55.595 58.000 0.054 0.000 0.975 170 F CB 1.892 40.901 39.000 0.014 0.000 1.246 170 F HN 0.170 nan 8.300 nan 0.000 0.484 171 P HA 0.218 nan 4.420 nan 0.000 0.271 171 P C -1.205 175.963 177.300 -0.219 0.000 1.216 171 P CA 0.175 63.313 63.100 0.063 0.000 0.771 171 P CB 0.802 32.597 31.700 0.158 0.000 0.864 172 L N 2.118 122.906 121.223 -0.726 0.000 2.341 172 L HA 0.648 4.988 4.340 -0.000 0.000 0.278 172 L C 0.627 177.340 176.870 -0.262 0.000 1.005 172 L CA -1.181 53.365 54.840 -0.489 0.000 0.818 172 L CB 1.901 43.588 42.059 -0.619 0.000 1.259 172 L HN 0.352 nan 8.230 nan 0.000 0.418 173 A N 1.471 124.224 122.820 -0.112 0.000 2.322 173 A HA 0.438 4.758 4.320 -0.000 0.000 0.269 173 A C 0.143 177.712 177.584 -0.025 0.000 1.094 173 A CA -0.172 51.846 52.037 -0.033 0.000 0.807 173 A CB 0.210 19.197 19.000 -0.022 0.000 1.047 173 A HN 0.951 nan 8.150 nan 0.000 0.487 174 D N -1.459 118.947 120.400 0.010 0.000 2.947 174 D HA -0.109 4.531 4.640 -0.000 0.000 0.224 174 D C -0.080 176.240 176.300 0.033 0.000 1.132 174 D CA 1.540 55.546 54.000 0.010 0.000 0.801 174 D CB -1.762 39.027 40.800 -0.019 0.000 1.097 174 D HN 1.446 nan 8.370 nan 0.000 0.431 175 A N 0.567 123.441 122.820 0.090 0.000 2.513 175 A HA 0.596 4.916 4.320 -0.000 0.000 0.296 175 A C 0.042 177.803 177.584 0.295 0.000 1.052 175 A CA -1.001 51.136 52.037 0.168 0.000 0.714 175 A CB 1.401 20.505 19.000 0.174 0.000 1.279 175 A HN 0.170 nan 8.150 nan 0.000 0.397 176 R N 1.700 122.305 120.500 0.175 0.000 2.531 176 R HA 0.664 5.004 4.340 -0.000 0.000 0.273 176 R C -0.425 175.841 176.300 -0.056 0.000 1.070 176 R CA -0.554 55.590 56.100 0.074 0.000 1.112 176 R CB 0.932 31.240 30.300 0.013 0.000 1.049 176 R HN 0.654 nan 8.270 nan 0.000 0.508 177 R N 1.090 121.444 120.500 -0.244 0.000 2.500 177 R HA 0.242 4.582 4.340 -0.000 0.000 0.275 177 R C -0.427 175.756 176.300 -0.195 0.000 1.051 177 R CA -0.743 55.066 56.100 -0.485 0.000 1.088 177 R CB 1.462 31.484 30.300 -0.464 0.000 1.063 177 R HN 0.379 nan 8.270 nan 0.000 0.511 178 V N 2.522 122.355 119.914 -0.136 0.000 2.530 178 V HA 0.162 4.282 4.120 -0.000 0.000 0.282 178 V C 0.656 176.730 176.094 -0.034 0.000 1.048 178 V CA -0.717 61.578 62.300 -0.009 0.000 0.997 178 V CB 1.096 32.959 31.823 0.066 0.000 0.987 178 V HN 0.925 nan 8.190 nan 0.000 0.477 179 A N 4.339 127.106 122.820 -0.088 0.000 2.584 179 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 179 A C 1.691 179.294 177.584 0.033 0.000 1.043 179 A CA 0.808 52.772 52.037 -0.122 0.000 0.756 179 A CB -0.799 17.985 19.000 -0.360 0.000 0.963 179 A HN 2.139 nan 8.150 nan 0.000 0.511 180 G N 1.564 110.375 108.800 0.017 0.000 3.078 180 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.227 180 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.227 180 G C 0.538 175.465 174.900 0.045 0.000 1.306 180 G CA 0.528 45.664 45.100 0.060 0.000 0.841 180 G HN 1.095 nan 8.290 nan 0.000 0.530 181 L N 0.941 122.202 121.223 0.063 0.000 2.483 181 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 181 L C 0.839 177.705 176.870 -0.006 0.000 1.248 181 L CA 0.919 55.777 54.840 0.029 0.000 0.825 181 L CB 0.349 42.425 42.059 0.029 0.000 1.096 181 L HN 0.345 nan 8.230 nan 0.000 0.512 182 T N -0.177 114.378 114.554 0.003 0.000 2.881 182 T HA 0.531 4.881 4.350 -0.000 0.000 0.290 182 T C 0.443 175.165 174.700 0.036 0.000 1.000 182 T CA 0.305 62.399 62.100 -0.009 0.000 0.978 182 T CB 1.248 70.107 68.868 -0.015 0.000 0.997 182 T HN 0.959 nan 8.240 nan 0.000 0.443 183 G N 2.675 111.512 108.800 0.061 0.000 2.162 183 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.260 183 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.260 183 G C -0.001 175.070 174.900 0.285 0.000 0.976 183 G CA 0.249 45.480 45.100 0.219 0.000 0.655 183 G HN 0.994 nan 8.290 nan 0.000 0.533 184 V N 1.065 121.044 119.914 0.108 0.000 2.334 184 V HA 0.658 4.778 4.120 -0.000 0.000 0.281 184 V C -0.140 175.969 176.094 0.025 0.000 1.016 184 V CA -1.018 61.369 62.300 0.145 0.000 0.832 184 V CB 0.814 32.682 31.823 0.074 0.000 0.999 184 V HN 0.240 nan 8.190 nan 0.000 0.439 185 Y N 2.349 122.744 120.300 0.158 0.000 2.568 185 Y HA 0.609 5.159 4.550 -0.000 0.000 0.327 185 Y C 0.341 176.358 175.900 0.195 0.000 1.163 185 Y CA -0.809 57.380 58.100 0.148 0.000 1.219 185 Y CB 1.474 39.992 38.460 0.097 0.000 1.308 185 Y HN 0.539 nan 8.280 nan 0.000 0.503 186 Q N 0.574 120.518 119.800 0.241 0.000 2.337 186 Q HA 0.593 4.933 4.340 -0.000 0.000 0.266 186 Q C -1.708 174.282 176.000 -0.015 0.000 1.023 186 Q CA -0.878 54.932 55.803 0.011 0.000 0.829 186 Q CB 1.649 30.326 28.738 -0.102 0.000 1.306 186 Q HN 0.565 nan 8.270 nan 0.000 0.449 187 V N 6.706 126.557 119.914 -0.105 0.000 2.439 187 V HA 0.207 4.327 4.120 -0.000 0.000 0.271 187 V C -1.807 174.230 176.094 -0.095 0.000 1.040 187 V CA -1.123 61.137 62.300 -0.068 0.000 1.002 187 V CB 0.240 32.013 31.823 -0.082 0.000 1.000 187 V HN 0.800 nan 8.190 nan 0.000 0.477 188 P HA 0.074 nan 4.420 nan 0.000 0.270 188 P C -0.128 177.142 177.300 -0.050 0.000 1.221 188 P CA -0.102 62.966 63.100 -0.053 0.000 0.788 188 P CB 0.639 32.326 31.700 -0.021 0.000 0.904 189 A N 0.814 123.615 122.820 -0.033 0.000 2.406 189 A HA 0.431 4.751 4.320 -0.000 0.000 0.243 189 A C 1.291 178.941 177.584 0.110 0.000 1.082 189 A CA 0.316 52.371 52.037 0.029 0.000 0.786 189 A CB -1.334 17.744 19.000 0.130 0.000 1.029 189 A HN 0.855 nan 8.150 nan 0.000 0.495 190 G N -0.480 108.388 108.800 0.113 0.000 2.357 190 G HA2 0.281 4.241 3.960 -0.000 0.000 0.282 190 G HA3 0.281 4.241 3.960 -0.000 0.000 0.282 190 G C 0.276 175.290 174.900 0.189 0.000 0.910 190 G CA 1.003 46.237 45.100 0.222 0.000 1.267 190 G HN 2.258 nan 8.290 nan 0.000 0.476 191 A N -0.877 121.992 122.820 0.081 0.000 2.593 191 A HA 0.966 5.286 4.320 -0.000 0.000 0.290 191 A C -0.657 176.929 177.584 0.004 0.000 1.126 191 A CA -0.058 52.023 52.037 0.074 0.000 0.695 191 A CB 2.394 21.421 19.000 0.045 0.000 1.290 191 A HN 1.916 nan 8.150 nan 0.000 0.414 192 V N 1.379 121.324 119.914 0.050 0.000 2.655 192 V HA 0.570 4.690 4.120 -0.000 0.000 0.301 192 V C -1.139 175.009 176.094 0.090 0.000 1.082 192 V CA -0.399 61.908 62.300 0.012 0.000 0.899 192 V CB 1.447 33.324 31.823 0.090 0.000 1.014 192 V HN 0.886 nan 8.190 nan 0.000 0.429 193 M N 5.623 125.248 119.600 0.042 0.000 2.084 193 M HA 0.396 4.876 4.480 -0.000 0.000 0.351 193 M C -0.597 175.750 176.300 0.079 0.000 1.240 193 M CA -0.240 55.092 55.300 0.054 0.000 1.083 193 M CB 0.921 33.532 32.600 0.018 0.000 1.593 193 M HN 0.614 nan 8.290 nan 0.000 0.463 194 D N 5.427 125.895 120.400 0.113 0.000 2.365 194 D HA 0.362 5.002 4.640 -0.000 0.000 0.237 194 D C -0.993 175.341 176.300 0.056 0.000 1.190 194 D CA -0.007 54.056 54.000 0.105 0.000 0.867 194 D CB 0.446 41.341 40.800 0.157 0.000 1.050 194 D HN 0.483 nan 8.370 nan 0.000 0.491 195 I N 2.631 123.226 120.570 0.042 0.000 2.362 195 I HA 0.163 4.333 4.170 -0.000 0.000 0.289 195 I C -0.005 176.119 176.117 0.012 0.000 0.994 195 I CA -0.998 60.313 61.300 0.018 0.000 1.158 195 I CB 1.790 39.798 38.000 0.014 0.000 1.315 195 I HN 0.179 nan 8.210 nan 0.000 0.451 196 D N 5.446 125.845 120.400 -0.001 0.000 2.347 196 D HA 0.150 4.790 4.640 -0.000 0.000 0.235 196 D C 0.713 177.002 176.300 -0.019 0.000 1.149 196 D CA -0.376 53.620 54.000 -0.005 0.000 0.850 196 D CB 1.291 42.085 40.800 -0.009 0.000 1.061 196 D HN 0.371 nan 8.370 nan 0.000 0.487 197 L N 4.373 125.589 121.223 -0.012 0.000 2.131 197 L HA 0.097 4.437 4.340 -0.000 0.000 0.210 197 L C 2.043 178.895 176.870 -0.030 0.000 1.092 197 L CA 2.092 56.922 54.840 -0.018 0.000 0.759 197 L CB -0.715 41.340 42.059 -0.007 0.000 0.903 197 L HN 0.665 nan 8.230 nan 0.000 0.435 198 G N -1.338 107.447 108.800 -0.025 0.000 2.524 198 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 198 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 198 G C 1.573 176.445 174.900 -0.047 0.000 1.239 198 G CA 1.130 46.213 45.100 -0.028 0.000 0.798 198 G HN 0.535 nan 8.290 nan 0.000 0.557 199 S N -0.487 115.183 115.700 -0.049 0.000 2.461 199 S HA 0.317 4.787 4.470 -0.000 0.000 0.228 199 S C 1.908 176.440 174.600 -0.114 0.000 1.005 199 S CA 1.152 59.311 58.200 -0.069 0.000 0.942 199 S CB -0.124 63.047 63.200 -0.049 0.000 0.776 199 S HN 1.767 nan 8.310 nan 0.000 0.514 200 G N 1.768 110.505 108.800 -0.105 0.000 2.137 200 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.237 200 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.237 200 G C 0.099 174.927 174.900 -0.119 0.000 1.002 200 G CA 0.223 45.238 45.100 -0.142 0.000 0.702 200 G HN 1.123 nan 8.290 nan 0.000 0.515 201 T N -1.714 112.794 114.554 -0.076 0.000 2.889 201 T HA 0.800 5.150 4.350 -0.000 0.000 0.291 201 T C 0.094 174.769 174.700 -0.041 0.000 0.995 201 T CA 0.314 62.380 62.100 -0.056 0.000 1.092 201 T CB 2.398 71.245 68.868 -0.036 0.000 0.954 201 T HN 1.793 nan 8.240 nan 0.000 0.506 202 A N 2.433 125.226 122.820 -0.044 0.000 2.359 202 A HA 0.690 5.010 4.320 -0.000 0.000 0.303 202 A C -0.750 176.809 177.584 -0.042 0.000 1.066 202 A CA -0.799 51.216 52.037 -0.036 0.000 0.730 202 A CB 1.536 20.504 19.000 -0.053 0.000 1.211 202 A HN 0.829 nan 8.150 nan 0.000 0.439 203 V N 1.920 121.817 119.914 -0.029 0.000 2.495 203 V HA 0.635 4.755 4.120 -0.000 0.000 0.298 203 V C 0.035 176.064 176.094 -0.107 0.000 1.031 203 V CA -0.354 61.898 62.300 -0.081 0.000 0.871 203 V CB 2.035 33.820 31.823 -0.063 0.000 0.988 203 V HN 0.920 nan 8.190 nan 0.000 0.432 204 T N 4.151 118.591 114.554 -0.190 0.000 2.797 204 T HA 0.540 4.890 4.350 -0.000 0.000 0.279 204 T C -0.723 173.815 174.700 -0.271 0.000 0.991 204 T CA -0.404 61.615 62.100 -0.135 0.000 0.979 204 T CB 0.508 69.340 68.868 -0.060 0.000 0.943 204 T HN 0.639 nan 8.240 nan 0.000 0.444 205 H N 2.382 121.473 119.070 0.036 0.000 2.489 205 H HA 0.394 4.950 4.556 -0.000 0.000 0.343 205 H C -0.005 175.368 175.328 0.076 0.000 1.086 205 H CA -0.693 55.388 56.048 0.055 0.000 1.198 205 H CB 1.656 31.449 29.762 0.051 0.000 1.490 205 H HN 0.319 nan 8.280 nan 0.000 0.504 206 R N 0.965 121.571 120.500 0.177 0.000 2.308 206 R HA 0.143 4.482 4.340 -0.000 0.000 0.305 206 R C 0.695 177.124 176.300 0.214 0.000 1.053 206 R CA -0.170 56.030 56.100 0.167 0.000 0.957 206 R CB 0.811 31.182 30.300 0.118 0.000 1.022 206 R HN 0.673 nan 8.270 nan 0.000 0.461 207 T N -1.757 112.954 114.554 0.261 0.000 3.092 207 T HA 0.162 4.512 4.350 -0.000 0.000 0.258 207 T C -0.268 174.678 174.700 0.410 0.000 1.031 207 T CA -0.584 61.701 62.100 0.308 0.000 0.925 207 T CB 0.036 69.105 68.868 0.335 0.000 1.036 207 T HN 0.679 nan 8.240 nan 0.000 0.544 208 W N 0.421 121.814 121.300 0.153 0.000 3.736 208 W HA 0.486 5.146 4.660 -0.000 0.000 0.276 208 W C -2.237 174.371 176.519 0.148 0.000 1.268 208 W CA -0.448 56.990 57.345 0.155 0.000 1.216 208 W CB 0.854 30.443 29.460 0.215 0.000 1.284 208 W HN 0.008 nan 8.180 nan 0.000 0.562 209 T N 5.471 119.450 114.554 -0.960 0.000 3.097 209 T HA 0.486 4.836 4.350 -0.000 0.000 0.332 209 T C -2.827 171.045 174.700 -1.379 0.000 1.269 209 T CA -1.074 60.504 62.100 -0.870 0.000 1.076 209 T CB 1.299 69.969 68.868 -0.330 0.000 1.209 209 T HN 0.172 nan 8.240 nan 0.000 0.474 210 P HA 0.244 nan 4.420 nan 0.000 0.264 210 P C 0.178 177.274 177.300 -0.340 0.000 1.179 210 P CA 0.025 62.794 63.100 -0.551 0.000 0.763 210 P CB 0.280 31.945 31.700 -0.059 0.000 0.806 211 G N 1.641 110.319 108.800 -0.203 0.000 2.467 211 G HA2 0.292 4.252 3.960 -0.000 0.000 0.257 211 G HA3 0.292 4.252 3.960 -0.000 0.000 0.257 211 G C 0.456 175.315 174.900 -0.069 0.000 1.227 211 G CA -0.512 44.514 45.100 -0.124 0.000 0.835 211 G HN 0.501 nan 8.290 nan 0.000 0.556 212 L N 1.303 122.493 121.223 -0.056 0.000 2.638 212 L HA 0.176 4.516 4.340 -0.000 0.000 0.232 212 L C 1.455 178.314 176.870 -0.018 0.000 1.099 212 L CA 0.005 54.828 54.840 -0.029 0.000 0.883 212 L CB 0.020 42.061 42.059 -0.029 0.000 1.136 212 L HN 0.566 nan 8.230 nan 0.000 0.492 213 S N 0.058 115.745 115.700 -0.021 0.000 2.672 213 S HA 0.631 5.101 4.470 -0.000 0.000 0.276 213 S C -0.068 174.528 174.600 -0.008 0.000 1.207 213 S CA -0.847 57.345 58.200 -0.013 0.000 1.002 213 S CB 1.940 65.131 63.200 -0.015 0.000 0.998 213 S HN 0.047 nan 8.310 nan 0.000 0.542 214 R N 0.786 121.283 120.500 -0.004 0.000 2.750 214 R HA 0.502 4.842 4.340 -0.000 0.000 0.281 214 R C -0.373 175.929 176.300 0.003 0.000 0.972 214 R CA -0.702 55.398 56.100 0.001 0.000 0.912 214 R CB 1.845 32.146 30.300 0.001 0.000 1.187 214 R HN 0.981 nan 8.270 nan 0.000 0.464 215 R N 1.258 121.762 120.500 0.008 0.000 2.732 215 R HA 0.651 4.990 4.340 -0.000 0.000 0.278 215 R C -0.518 175.790 176.300 0.013 0.000 0.976 215 R CA -0.685 55.421 56.100 0.010 0.000 0.963 215 R CB 1.018 31.326 30.300 0.013 0.000 1.150 215 R HN 0.438 nan 8.270 nan 0.000 0.478 216 I N 2.269 122.846 120.570 0.012 0.000 2.460 216 I HA 0.466 4.636 4.170 -0.000 0.000 0.298 216 I C -0.437 175.692 176.117 0.021 0.000 0.989 216 I CA -0.957 60.350 61.300 0.013 0.000 1.173 216 I CB 1.680 39.683 38.000 0.004 0.000 1.338 216 I HN 0.408 nan 8.210 nan 0.000 0.456 217 L N 6.124 127.365 121.223 0.029 0.000 2.591 217 L HA 0.417 4.757 4.340 -0.000 0.000 0.257 217 L C -2.536 174.364 176.870 0.050 0.000 0.935 217 L CA -1.594 53.270 54.840 0.039 0.000 0.873 217 L CB 2.743 44.833 42.059 0.050 0.000 1.397 217 L HN 0.376 nan 8.230 nan 0.000 0.414 218 P HA 0.122 nan 4.420 nan 0.000 0.272 218 P C 0.116 177.479 177.300 0.105 0.000 1.223 218 P CA -0.173 62.962 63.100 0.058 0.000 0.784 218 P CB 1.002 32.731 31.700 0.048 0.000 0.923 219 E N 1.507 121.791 120.200 0.140 0.000 2.065 219 E HA -0.237 4.113 4.350 -0.000 0.000 0.201 219 E C 2.125 178.858 176.600 0.222 0.000 1.016 219 E CA 1.889 58.458 56.400 0.281 0.000 0.818 219 E CB -0.823 29.096 29.700 0.364 0.000 0.749 219 E HN 0.734 nan 8.360 nan 0.000 0.453 220 G N 1.620 110.509 108.800 0.148 0.000 2.628 220 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.217 220 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.217 220 G C 1.295 176.241 174.900 0.077 0.000 1.240 220 G CA 1.355 46.515 45.100 0.100 0.000 0.792 220 G HN 0.304 nan 8.290 nan 0.000 0.593 221 E N 0.770 121.010 120.200 0.068 0.000 2.085 221 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 221 E C 2.918 179.552 176.600 0.056 0.000 0.994 221 E CA 0.808 57.239 56.400 0.052 0.000 0.801 221 E CB -0.275 29.452 29.700 0.044 0.000 0.743 221 E HN 0.430 nan 8.360 nan 0.000 0.453 222 A N 1.167 124.037 122.820 0.083 0.000 1.877 222 A HA -0.156 4.163 4.320 -0.000 0.000 0.216 222 A C 2.554 180.175 177.584 0.062 0.000 1.186 222 A CA 1.347 53.439 52.037 0.091 0.000 0.620 222 A CB -0.757 18.335 19.000 0.154 0.000 0.822 222 A HN 0.135 nan 8.150 nan 0.000 0.443 223 V N -0.291 119.655 119.914 0.054 0.000 2.427 223 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 223 V C 3.009 179.091 176.094 -0.021 0.000 1.051 223 V CA 1.880 64.160 62.300 -0.033 0.000 1.048 223 V CB -1.089 30.693 31.823 -0.068 0.000 0.666 223 V HN 0.630 nan 8.190 nan 0.000 0.456 224 A N -0.042 122.781 122.820 0.006 0.000 1.873 224 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 224 A C 2.445 180.031 177.584 0.004 0.000 1.186 224 A CA 1.851 53.890 52.037 0.004 0.000 0.616 224 A CB -0.829 18.179 19.000 0.014 0.000 0.823 224 A HN 0.537 nan 8.150 nan 0.000 0.442 225 A N -0.443 122.384 122.820 0.013 0.000 1.908 225 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 225 A C 2.201 179.788 177.584 0.006 0.000 1.181 225 A CA 1.927 53.971 52.037 0.012 0.000 0.627 225 A CB -1.048 17.963 19.000 0.019 0.000 0.818 225 A HN 0.437 nan 8.150 nan 0.000 0.445 226 V N -0.037 119.881 119.914 0.007 0.000 2.490 226 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 226 V C 2.667 178.760 176.094 -0.002 0.000 1.061 226 V CA 2.356 64.660 62.300 0.007 0.000 1.064 226 V CB -0.839 30.986 31.823 0.004 0.000 0.670 226 V HN 0.645 nan 8.190 nan 0.000 0.461 227 R N 1.051 121.543 120.500 -0.013 0.000 2.062 227 R HA 0.032 4.372 4.340 -0.000 0.000 0.229 227 R C 2.204 178.494 176.300 -0.018 0.000 1.128 227 R CA 1.814 57.903 56.100 -0.018 0.000 0.960 227 R CB -1.059 29.229 30.300 -0.021 0.000 0.855 227 R HN 0.382 nan 8.270 nan 0.000 0.432 228 A N 0.561 123.373 122.820 -0.012 0.000 1.883 228 A HA -0.074 4.245 4.320 -0.000 0.000 0.217 228 A C 2.398 179.970 177.584 -0.019 0.000 1.186 228 A CA 2.069 54.099 52.037 -0.012 0.000 0.624 228 A CB -1.238 17.759 19.000 -0.005 0.000 0.822 228 A HN 0.493 nan 8.150 nan 0.000 0.444 229 A N -0.557 122.252 122.820 -0.018 0.000 1.858 229 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 229 A C 2.148 179.702 177.584 -0.050 0.000 1.190 229 A CA 1.846 53.867 52.037 -0.027 0.000 0.617 229 A CB -0.767 18.222 19.000 -0.018 0.000 0.827 229 A HN 0.727 nan 8.150 nan 0.000 0.443 230 L N 0.023 121.212 121.223 -0.058 0.000 2.042 230 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 230 L C 2.255 179.059 176.870 -0.110 0.000 1.076 230 L CA 2.352 57.124 54.840 -0.114 0.000 0.749 230 L CB -0.761 41.232 42.059 -0.110 0.000 0.893 230 L HN 0.417 nan 8.230 nan 0.000 0.432 231 E N -0.130 120.030 120.200 -0.066 0.000 2.085 231 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 231 E C 2.192 178.763 176.600 -0.050 0.000 0.994 231 E CA 1.499 57.869 56.400 -0.050 0.000 0.801 231 E CB -0.224 29.460 29.700 -0.027 0.000 0.743 231 E HN 0.565 nan 8.360 nan 0.000 0.453 232 K N 0.537 120.910 120.400 -0.045 0.000 2.103 232 K HA -0.032 4.287 4.320 -0.000 0.000 0.204 232 K C 2.082 178.647 176.600 -0.058 0.000 1.052 232 K CA 0.965 57.230 56.287 -0.036 0.000 0.945 232 K CB -0.016 32.471 32.500 -0.022 0.000 0.722 232 K HN 0.033 nan 8.250 nan 0.000 0.443 233 A N 0.676 123.441 122.820 -0.091 0.000 1.933 233 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 233 A C 2.134 179.610 177.584 -0.181 0.000 1.175 233 A CA 1.487 53.438 52.037 -0.143 0.000 0.628 233 A CB -0.389 18.517 19.000 -0.158 0.000 0.814 233 A HN 0.173 nan 8.150 nan 0.000 0.444 234 V N -0.470 119.359 119.914 -0.141 0.000 2.407 234 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 234 V C 3.020 179.073 176.094 -0.069 0.000 1.041 234 V CA 1.514 63.744 62.300 -0.118 0.000 1.040 234 V CB -1.196 30.570 31.823 -0.095 0.000 0.671 234 V HN 0.584 nan 8.190 nan 0.000 0.455 235 A N -0.271 122.521 122.820 -0.046 0.000 1.892 235 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 235 A C 2.161 179.750 177.584 0.008 0.000 1.188 235 A CA 2.308 54.337 52.037 -0.014 0.000 0.631 235 A CB -0.610 18.385 19.000 -0.008 0.000 0.822 235 A HN 0.621 nan 8.150 nan 0.000 0.447 236 Q N -1.001 118.800 119.800 0.002 0.000 2.181 236 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 236 Q C 2.168 178.245 176.000 0.129 0.000 0.980 236 Q CA 1.580 57.429 55.803 0.077 0.000 0.862 236 Q CB -0.126 28.664 28.738 0.087 0.000 0.905 236 Q HN 0.639 nan 8.270 nan 0.000 0.429 237 R N 0.179 120.665 120.500 -0.023 0.000 2.246 237 R HA 0.045 4.385 4.340 -0.000 0.000 0.199 237 R C 0.423 176.790 176.300 0.111 0.000 0.984 237 R CA 0.193 56.313 56.100 0.033 0.000 1.015 237 R CB 0.349 30.555 30.300 -0.156 0.000 0.930 237 R HN 0.100 nan 8.270 nan 0.000 0.475 238 V N -0.532 119.422 119.914 0.068 0.000 2.509 238 V HA 0.348 4.468 4.120 -0.000 0.000 0.284 238 V C 0.049 176.188 176.094 0.075 0.000 1.047 238 V CA -0.731 61.609 62.300 0.068 0.000 0.952 238 V CB 1.710 33.554 31.823 0.035 0.000 0.988 238 V HN -0.109 nan 8.190 nan 0.000 0.469 239 T N 6.747 121.347 114.554 0.077 0.000 2.856 239 T HA 0.413 4.763 4.350 -0.000 0.000 0.292 239 T C -2.411 172.312 174.700 0.039 0.000 0.980 239 T CA -0.610 61.526 62.100 0.061 0.000 1.091 239 T CB 1.015 69.920 68.868 0.062 0.000 0.936 239 T HN 0.731 nan 8.240 nan 0.000 0.503 240 P HA 0.327 nan 4.420 nan 0.000 0.266 240 P C 0.950 178.259 177.300 0.014 0.000 1.215 240 P CA 0.710 63.820 63.100 0.017 0.000 0.763 240 P CB 0.489 32.197 31.700 0.013 0.000 0.806 241 G N 3.311 112.117 108.800 0.010 0.000 3.700 241 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.211 241 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.211 241 G C -0.359 174.549 174.900 0.013 0.000 1.777 241 G CA -0.059 45.046 45.100 0.009 0.000 1.460 241 G HN 0.665 nan 8.290 nan 0.000 0.615 242 D N 2.096 122.509 120.400 0.023 0.000 2.341 242 D HA 0.429 5.069 4.640 -0.000 0.000 0.245 242 D C -0.193 176.126 176.300 0.032 0.000 1.106 242 D CA 0.545 54.563 54.000 0.030 0.000 0.905 242 D CB 0.909 41.734 40.800 0.041 0.000 1.202 242 D HN 0.243 nan 8.370 nan 0.000 0.426 243 T N 3.102 117.675 114.554 0.032 0.000 2.761 243 T HA 0.271 4.621 4.350 -0.000 0.000 0.296 243 T C -1.828 172.902 174.700 0.049 0.000 0.934 243 T CA -0.900 61.220 62.100 0.034 0.000 1.091 243 T CB 1.132 70.020 68.868 0.033 0.000 0.896 243 T HN 0.409 nan 8.240 nan 0.000 0.515 244 P HA 0.316 nan 4.420 nan 0.000 0.275 244 P C -0.939 176.397 177.300 0.060 0.000 1.266 244 P CA -0.760 62.377 63.100 0.062 0.000 0.793 244 P CB 0.750 32.485 31.700 0.059 0.000 1.074 245 L N 1.027 122.285 121.223 0.057 0.000 2.356 245 L HA 0.454 4.794 4.340 -0.000 0.000 0.277 245 L C -1.152 175.750 176.870 0.052 0.000 0.996 245 L CA -0.696 54.172 54.840 0.048 0.000 0.822 245 L CB 1.658 43.731 42.059 0.023 0.000 1.256 245 L HN 0.034 nan 8.230 nan 0.000 0.413 246 V N 5.645 125.598 119.914 0.065 0.000 2.409 246 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 246 V C -0.336 175.810 176.094 0.085 0.000 1.020 246 V CA -0.764 61.581 62.300 0.075 0.000 0.848 246 V CB 1.945 33.816 31.823 0.079 0.000 0.990 246 V HN 0.611 nan 8.190 nan 0.000 0.430 247 V N 5.997 125.966 119.914 0.091 0.000 2.408 247 V HA 0.660 4.780 4.120 -0.000 0.000 0.267 247 V C -0.224 175.929 176.094 0.098 0.000 1.047 247 V CA -0.292 62.058 62.300 0.083 0.000 0.937 247 V CB 0.516 32.382 31.823 0.071 0.000 0.999 247 V HN 0.754 nan 8.190 nan 0.000 0.472 248 L N 2.908 124.197 121.223 0.110 0.000 2.327 248 L HA 0.862 5.202 4.340 -0.000 0.000 0.258 248 L C 0.568 177.503 176.870 0.109 0.000 1.024 248 L CA -0.314 54.590 54.840 0.107 0.000 0.825 248 L CB 2.117 44.234 42.059 0.097 0.000 1.386 248 L HN 0.504 nan 8.230 nan 0.000 0.417 249 S N -1.316 114.430 115.700 0.078 0.000 2.599 249 S HA 0.403 4.873 4.470 -0.000 0.000 0.236 249 S C 1.209 175.838 174.600 0.048 0.000 1.077 249 S CA 0.376 58.611 58.200 0.059 0.000 0.906 249 S CB 0.663 63.877 63.200 0.023 0.000 0.804 249 S HN 1.742 nan 8.310 nan 0.000 0.497 250 G N 1.511 110.330 108.800 0.030 0.000 2.131 250 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.223 250 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.223 250 G C 0.367 175.260 174.900 -0.011 0.000 0.990 250 G CA -0.277 44.826 45.100 0.005 0.000 0.671 250 G HN 0.963 nan 8.290 nan 0.000 0.521 251 G N -0.505 108.288 108.800 -0.011 0.000 2.554 251 G HA2 0.467 4.426 3.960 -0.000 0.000 0.238 251 G HA3 0.467 4.426 3.960 -0.000 0.000 0.238 251 G C 1.211 176.100 174.900 -0.019 0.000 1.259 251 G CA 0.211 45.297 45.100 -0.024 0.000 0.843 251 G HN 0.881 nan 8.290 nan 0.000 0.582 252 I N 0.252 120.802 120.570 -0.034 0.000 2.361 252 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 252 I C 1.870 177.990 176.117 0.005 0.000 1.133 252 I CA 1.475 62.758 61.300 -0.028 0.000 1.413 252 I CB -0.194 37.776 38.000 -0.049 0.000 1.073 252 I HN 0.499 nan 8.210 nan 0.000 0.424 253 D N 0.558 120.939 120.400 -0.031 0.000 2.106 253 D HA -0.205 4.434 4.640 -0.000 0.000 0.194 253 D C 2.400 178.831 176.300 0.218 0.000 0.988 253 D CA 2.318 56.309 54.000 -0.016 0.000 0.845 253 D CB -0.851 39.834 40.800 -0.192 0.000 0.990 253 D HN 0.519 nan 8.370 nan 0.000 0.448 254 S N -0.049 115.739 115.700 0.146 0.000 2.469 254 S HA -0.064 4.406 4.470 -0.000 0.000 0.238 254 S C 1.978 176.645 174.600 0.112 0.000 0.998 254 S CA 1.026 59.321 58.200 0.158 0.000 0.957 254 S CB -0.150 63.119 63.200 0.115 0.000 0.764 254 S HN 0.030 nan 8.310 nan 0.000 0.514 255 S N 1.356 117.104 115.700 0.080 0.000 2.425 255 S HA 0.207 4.677 4.470 -0.000 0.000 0.225 255 S C 2.103 176.733 174.600 0.050 0.000 1.024 255 S CA 0.566 58.790 58.200 0.041 0.000 0.951 255 S CB -0.702 62.498 63.200 0.001 0.000 0.796 255 S HN 0.720 nan 8.310 nan 0.000 0.498 256 G N 1.884 110.742 108.800 0.096 0.000 2.433 256 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 256 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 256 G C 1.450 176.382 174.900 0.054 0.000 1.186 256 G CA 1.058 46.217 45.100 0.098 0.000 0.779 256 G HN 0.388 nan 8.290 nan 0.000 0.543 257 V N 1.792 121.744 119.914 0.063 0.000 2.287 257 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 257 V C 3.371 179.479 176.094 0.024 0.000 1.053 257 V CA 2.168 64.461 62.300 -0.013 0.000 1.027 257 V CB -1.043 30.783 31.823 0.005 0.000 0.646 257 V HN 0.491 nan 8.190 nan 0.000 0.447 258 A N -0.039 122.813 122.820 0.053 0.000 1.908 258 A HA -0.171 4.148 4.320 -0.000 0.000 0.218 258 A C 2.442 180.069 177.584 0.072 0.000 1.181 258 A CA 2.329 54.403 52.037 0.062 0.000 0.627 258 A CB -0.850 18.183 19.000 0.054 0.000 0.818 258 A HN 0.602 nan 8.150 nan 0.000 0.445 259 A N -0.887 121.965 122.820 0.053 0.000 1.883 259 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 259 A C 2.352 179.987 177.584 0.086 0.000 1.186 259 A CA 1.799 53.875 52.037 0.065 0.000 0.624 259 A CB -1.345 17.679 19.000 0.040 0.000 0.822 259 A HN 0.628 nan 8.150 nan 0.000 0.444 260 C N -1.060 118.266 119.300 0.043 0.000 2.446 260 C HA 0.094 4.554 4.460 -0.000 0.000 0.277 260 C C 3.333 178.344 174.990 0.036 0.000 1.275 260 C CA 0.672 59.705 59.018 0.024 0.000 1.727 260 C CB -1.409 26.317 27.740 -0.024 0.000 2.010 260 C HN 0.705 nan 8.230 nan 0.000 0.486 261 A N 0.083 122.927 122.820 0.040 0.000 1.908 261 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 261 A C 1.877 179.502 177.584 0.067 0.000 1.181 261 A CA 2.317 54.379 52.037 0.042 0.000 0.627 261 A CB -1.079 17.948 19.000 0.045 0.000 0.818 261 A HN 0.781 nan 8.150 nan 0.000 0.445 262 H N -0.396 118.682 119.070 0.013 0.000 2.352 262 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 262 H C 2.207 177.542 175.328 0.011 0.000 1.097 262 H CA 2.137 58.195 56.048 0.016 0.000 1.311 262 H CB -0.109 29.666 29.762 0.022 0.000 1.377 262 H HN 0.459 nan 8.280 nan 0.000 0.504 263 R N -0.228 120.296 120.500 0.040 0.000 2.090 263 R HA -0.019 4.321 4.340 -0.000 0.000 0.228 263 R C 2.267 178.537 176.300 -0.051 0.000 1.110 263 R CA 1.012 57.101 56.100 -0.017 0.000 0.973 263 R CB -0.288 30.035 30.300 0.039 0.000 0.869 263 R HN 0.404 nan 8.270 nan 0.000 0.440 264 A N 0.088 122.891 122.820 -0.027 0.000 2.014 264 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 264 A C 1.956 179.518 177.584 -0.036 0.000 1.163 264 A CA 1.417 53.439 52.037 -0.024 0.000 0.652 264 A CB -0.165 18.829 19.000 -0.010 0.000 0.808 264 A HN 0.483 nan 8.150 nan 0.000 0.449 265 A N -2.667 120.118 122.820 -0.058 0.000 2.288 265 A HA 0.455 4.774 4.320 -0.000 0.000 0.216 265 A C 1.826 179.344 177.584 -0.109 0.000 1.199 265 A CA 1.092 53.094 52.037 -0.058 0.000 0.891 265 A CB -0.369 18.614 19.000 -0.028 0.000 0.923 265 A HN 1.742 nan 8.150 nan 0.000 0.500 266 G N -1.162 107.514 108.800 -0.206 0.000 2.212 266 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.266 266 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.266 266 G C 0.053 174.745 174.900 -0.347 0.000 0.978 266 G CA 0.740 45.678 45.100 -0.269 0.000 0.632 266 G HN 0.731 nan 8.290 nan 0.000 0.537 267 E N -1.402 118.634 120.200 -0.273 0.000 2.423 267 E HA 0.672 5.022 4.350 -0.000 0.000 0.280 267 E C -1.993 174.637 176.600 0.050 0.000 1.030 267 E CA -0.935 55.411 56.400 -0.090 0.000 0.812 267 E CB 1.782 31.473 29.700 -0.016 0.000 1.313 267 E HN 0.505 nan 8.360 nan 0.000 0.456 268 L N 2.339 123.670 121.223 0.179 0.000 2.562 268 L HA 0.422 4.762 4.340 -0.000 0.000 0.266 268 L C -1.964 174.980 176.870 0.122 0.000 0.949 268 L CA -0.406 54.534 54.840 0.166 0.000 0.879 268 L CB 1.838 44.045 42.059 0.246 0.000 1.278 268 L HN 0.375 nan 8.230 nan 0.000 0.404 269 D N 2.653 123.108 120.400 0.092 0.000 2.225 269 D HA 0.665 5.305 4.640 -0.000 0.000 0.248 269 D C -0.172 176.182 176.300 0.090 0.000 1.096 269 D CA 0.241 54.288 54.000 0.079 0.000 0.863 269 D CB 1.740 42.571 40.800 0.053 0.000 1.156 269 D HN 0.667 nan 8.370 nan 0.000 0.450 270 T N -1.764 112.863 114.554 0.122 0.000 2.916 270 T HA 0.749 5.099 4.350 -0.000 0.000 0.292 270 T C -0.617 174.143 174.700 0.100 0.000 1.055 270 T CA -0.964 61.234 62.100 0.163 0.000 1.009 270 T CB 1.806 70.827 68.868 0.255 0.000 1.118 270 T HN 0.141 nan 8.240 nan 0.000 0.497 271 V N 0.468 120.420 119.914 0.063 0.000 2.932 271 V HA 0.734 4.854 4.120 -0.000 0.000 0.307 271 V C -1.337 174.770 176.094 0.021 0.000 1.147 271 V CA -0.351 61.895 62.300 -0.091 0.000 0.951 271 V CB 2.400 34.175 31.823 -0.080 0.000 1.031 271 V HN 1.202 nan 8.190 nan 0.000 0.426 272 S N 6.977 122.666 115.700 -0.019 0.000 2.526 272 S HA 0.673 5.143 4.470 -0.000 0.000 0.293 272 S C -0.722 174.001 174.600 0.205 0.000 1.092 272 S CA -0.526 57.778 58.200 0.173 0.000 0.980 272 S CB 1.667 65.103 63.200 0.395 0.000 1.048 272 S HN 0.881 nan 8.310 nan 0.000 0.483 273 M N 2.705 122.419 119.600 0.190 0.000 2.423 273 M HA 0.759 5.239 4.480 -0.000 0.000 0.335 273 M C -0.299 176.100 176.300 0.165 0.000 1.177 273 M CA -0.122 55.275 55.300 0.162 0.000 1.038 273 M CB 1.030 33.642 32.600 0.021 0.000 1.641 273 M HN 0.824 nan 8.290 nan 0.000 0.455 274 G N 1.758 110.641 108.800 0.138 0.000 2.692 274 G HA2 0.642 4.602 3.960 -0.000 0.000 0.291 274 G HA3 0.642 4.602 3.960 -0.000 0.000 0.291 274 G C -1.173 173.711 174.900 -0.027 0.000 1.423 274 G CA -0.282 44.746 45.100 -0.121 0.000 0.843 274 G HN 0.915 nan 8.290 nan 0.000 0.486 275 T N -2.556 111.947 114.554 -0.085 0.000 2.883 275 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 275 T C 0.362 175.044 174.700 -0.031 0.000 1.041 275 T CA 0.120 62.201 62.100 -0.031 0.000 1.007 275 T CB 1.988 70.837 68.868 -0.032 0.000 1.220 275 T HN 0.434 nan 8.240 nan 0.000 0.552 276 D N -0.719 119.676 120.400 -0.009 0.000 2.349 276 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 276 D C 1.302 177.592 176.300 -0.017 0.000 1.029 276 D CA 0.210 54.208 54.000 -0.003 0.000 0.879 276 D CB -0.448 40.357 40.800 0.009 0.000 0.906 276 D HN 0.518 nan 8.370 nan 0.000 0.528 277 T N -1.033 113.502 114.554 -0.031 0.000 3.042 277 T HA 0.151 4.501 4.350 -0.000 0.000 0.245 277 T C 0.639 175.306 174.700 -0.056 0.000 1.029 277 T CA 0.712 62.792 62.100 -0.034 0.000 1.120 277 T CB 0.249 69.101 68.868 -0.027 0.000 0.917 277 T HN 0.409 nan 8.240 nan 0.000 0.467 278 S N 1.340 116.987 115.700 -0.088 0.000 2.611 278 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 278 S C -1.872 172.599 174.600 -0.215 0.000 1.131 278 S CA -0.975 57.149 58.200 -0.127 0.000 0.826 278 S CB 1.728 64.866 63.200 -0.103 0.000 1.095 278 S HN 0.492 nan 8.310 nan 0.000 0.461 279 N N -0.304 118.220 118.700 -0.294 0.000 3.179 279 N HA 0.460 5.199 4.740 -0.000 0.000 0.250 279 N C -1.447 173.831 175.510 -0.386 0.000 1.507 279 N CA -0.923 51.826 53.050 -0.501 0.000 0.883 279 N CB 0.731 38.555 38.487 -1.106 0.000 1.435 279 N HN 0.666 nan 8.380 nan 0.000 0.532 280 E N -0.877 119.085 120.200 -0.396 0.000 2.887 280 E HA 0.243 4.593 4.350 -0.000 0.000 0.206 280 E C -0.173 176.428 176.600 0.002 0.000 0.983 280 E CA -0.282 56.028 56.400 -0.150 0.000 1.141 280 E CB -0.048 29.608 29.700 -0.073 0.000 1.061 280 E HN 0.357 nan 8.360 nan 0.000 0.468 281 F N 1.073 121.039 119.950 0.027 0.000 2.202 281 F HA -0.124 4.403 4.527 -0.000 0.000 0.301 281 F C 2.442 178.256 175.800 0.024 0.000 1.082 281 F CA 1.056 59.086 58.000 0.051 0.000 1.313 281 F CB -0.516 38.518 39.000 0.056 0.000 1.024 281 F HN 0.115 nan 8.300 nan 0.000 0.495 282 R N 0.635 121.238 120.500 0.171 0.000 2.075 282 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 282 R C 1.902 178.229 176.300 0.046 0.000 1.126 282 R CA 1.605 57.759 56.100 0.089 0.000 0.963 282 R CB -0.103 30.227 30.300 0.051 0.000 0.858 282 R HN 0.133 nan 8.270 nan 0.000 0.435 283 E N 0.420 120.640 120.200 0.034 0.000 2.106 283 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 283 E C 1.798 178.400 176.600 0.003 0.000 0.984 283 E CA 1.434 57.838 56.400 0.007 0.000 0.806 283 E CB -0.182 29.516 29.700 -0.003 0.000 0.750 283 E HN 0.465 nan 8.360 nan 0.000 0.458 284 A N 0.844 123.686 122.820 0.036 0.000 1.898 284 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 284 A C 2.149 179.656 177.584 -0.129 0.000 1.181 284 A CA 1.763 53.802 52.037 0.003 0.000 0.620 284 A CB -0.404 18.677 19.000 0.136 0.000 0.819 284 A HN 0.081 nan 8.150 nan 0.000 0.442 285 R N 0.333 120.779 120.500 -0.091 0.000 2.096 285 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 285 R C 2.036 178.279 176.300 -0.095 0.000 1.127 285 R CA 1.825 57.842 56.100 -0.139 0.000 0.968 285 R CB -0.861 29.418 30.300 -0.034 0.000 0.861 285 R HN 0.389 nan 8.270 nan 0.000 0.440 286 A N -0.554 122.236 122.820 -0.050 0.000 2.070 286 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 286 A C 2.077 179.641 177.584 -0.033 0.000 1.159 286 A CA 1.658 53.676 52.037 -0.031 0.000 0.656 286 A CB -0.259 18.725 19.000 -0.026 0.000 0.800 286 A HN 0.209 nan 8.150 nan 0.000 0.453 287 V N -0.434 119.443 119.914 -0.062 0.000 2.575 287 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 287 V C 2.613 178.672 176.094 -0.058 0.000 1.045 287 V CA 1.342 63.610 62.300 -0.052 0.000 1.065 287 V CB -0.289 31.499 31.823 -0.059 0.000 0.717 287 V HN 0.535 nan 8.190 nan 0.000 0.467 288 V N -1.025 118.803 119.914 -0.143 0.000 2.490 288 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 288 V C 1.962 178.004 176.094 -0.088 0.000 1.061 288 V CA 2.445 64.652 62.300 -0.154 0.000 1.064 288 V CB -0.780 30.846 31.823 -0.328 0.000 0.670 288 V HN 0.450 nan 8.190 nan 0.000 0.461 289 D N -0.305 120.057 120.400 -0.064 0.000 2.149 289 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 289 D C 2.019 178.309 176.300 -0.017 0.000 0.972 289 D CA 1.912 55.892 54.000 -0.034 0.000 0.835 289 D CB -0.332 40.457 40.800 -0.019 0.000 0.966 289 D HN 0.777 nan 8.370 nan 0.000 0.476 290 H N -0.067 118.952 119.070 -0.085 0.000 2.326 290 H HA -0.004 4.551 4.556 -0.000 0.000 0.301 290 H C 1.630 176.885 175.328 -0.122 0.000 1.081 290 H CA 1.150 57.148 56.048 -0.084 0.000 1.334 290 H CB 0.076 29.793 29.762 -0.076 0.000 1.385 290 H HN -0.037 nan 8.280 nan 0.000 0.504 291 L N 0.366 121.547 121.223 -0.069 0.000 2.446 291 L HA 0.139 4.479 4.340 -0.000 0.000 0.219 291 L C 0.403 177.083 176.870 -0.316 0.000 1.116 291 L CA 0.801 55.470 54.840 -0.284 0.000 0.844 291 L CB -0.621 41.258 42.059 -0.300 0.000 0.970 291 L HN 0.382 nan 8.230 nan 0.000 0.457 292 R N 0.482 120.894 120.500 -0.146 0.000 3.184 292 R HA -0.129 4.211 4.340 -0.000 0.000 0.257 292 R C 0.289 176.580 176.300 -0.014 0.000 0.999 292 R CA 0.697 56.758 56.100 -0.065 0.000 0.670 292 R CB -2.301 27.975 30.300 -0.040 0.000 1.197 292 R HN 0.493 nan 8.270 nan 0.000 0.419 293 T N -2.603 111.944 114.554 -0.012 0.000 2.927 293 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 293 T C 0.269 175.013 174.700 0.073 0.000 0.998 293 T CA -1.136 60.995 62.100 0.053 0.000 1.019 293 T CB 1.858 70.759 68.868 0.056 0.000 1.061 293 T HN 0.283 nan 8.240 nan 0.000 0.518 294 R N 1.345 121.899 120.500 0.090 0.000 2.248 294 R HA 0.311 4.651 4.340 -0.000 0.000 0.337 294 R C -0.732 175.638 176.300 0.118 0.000 1.106 294 R CA -0.199 55.950 56.100 0.082 0.000 0.959 294 R CB -1.379 28.956 30.300 0.059 0.000 1.075 294 R HN 0.859 nan 8.270 nan 0.000 0.480 295 H N 2.159 121.224 119.070 -0.009 0.000 2.508 295 H HA 0.645 5.200 4.556 -0.000 0.000 0.344 295 H C -0.754 174.547 175.328 -0.045 0.000 1.192 295 H CA -0.510 55.523 56.048 -0.024 0.000 1.290 295 H CB 0.862 30.605 29.762 -0.031 0.000 1.571 295 H HN 0.600 nan 8.280 nan 0.000 0.555 296 R N 1.893 121.986 120.500 -0.678 0.000 2.523 296 R HA 0.222 4.562 4.340 -0.000 0.000 0.278 296 R C -1.548 174.357 176.300 -0.657 0.000 1.150 296 R CA -0.543 55.266 56.100 -0.485 0.000 0.987 296 R CB 0.896 31.044 30.300 -0.253 0.000 1.232 296 R HN 0.708 nan 8.270 nan 0.000 0.424 297 E N 5.285 125.163 120.200 -0.536 0.000 2.156 297 E HA 0.353 4.703 4.350 -0.000 0.000 0.279 297 E C -0.428 175.963 176.600 -0.349 0.000 0.965 297 E CA -0.587 55.449 56.400 -0.606 0.000 0.789 297 E CB 2.016 31.083 29.700 -1.055 0.000 1.098 297 E HN 0.415 nan 8.360 nan 0.000 0.397 298 I N 2.408 122.893 120.570 -0.142 0.000 2.389 298 I HA 0.212 4.382 4.170 -0.000 0.000 0.288 298 I C -0.363 175.842 176.117 0.146 0.000 0.999 298 I CA -0.486 60.804 61.300 -0.017 0.000 1.129 298 I CB 1.956 39.945 38.000 -0.018 0.000 1.288 298 I HN 0.373 nan 8.210 nan 0.000 0.444 299 T N 7.338 121.971 114.554 0.130 0.000 2.770 299 T HA 0.478 4.828 4.350 -0.000 0.000 0.283 299 T C -0.357 174.389 174.700 0.077 0.000 0.988 299 T CA -0.304 61.902 62.100 0.176 0.000 0.957 299 T CB 1.216 70.207 68.868 0.205 0.000 0.930 299 T HN 0.408 nan 8.240 nan 0.000 0.443 300 I N 4.856 125.458 120.570 0.053 0.000 2.362 300 I HA 0.472 4.641 4.170 -0.000 0.000 0.289 300 I C -2.634 173.492 176.117 0.015 0.000 0.994 300 I CA -3.084 58.229 61.300 0.022 0.000 1.158 300 I CB 2.039 40.042 38.000 0.005 0.000 1.315 300 I HN 0.330 nan 8.210 nan 0.000 0.451 301 P HA 0.046 nan 4.420 nan 0.000 0.262 301 P C 0.562 177.864 177.300 0.003 0.000 1.182 301 P CA 0.168 63.274 63.100 0.010 0.000 0.761 301 P CB 0.613 32.319 31.700 0.010 0.000 0.795 302 T N 1.418 115.973 114.554 0.002 0.000 2.685 302 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 302 T C 1.804 176.505 174.700 0.001 0.000 1.034 302 T CA 2.475 64.576 62.100 0.001 0.000 1.149 302 T CB -1.008 67.862 68.868 0.004 0.000 0.860 302 T HN 0.651 nan 8.240 nan 0.000 0.449 303 T N 0.405 114.962 114.554 0.006 0.000 2.720 303 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 303 T C 1.804 176.506 174.700 0.004 0.000 1.037 303 T CA 1.613 63.718 62.100 0.008 0.000 1.144 303 T CB -0.352 68.523 68.868 0.012 0.000 0.864 303 T HN 0.494 nan 8.240 nan 0.000 0.444 304 E N 0.158 120.360 120.200 0.002 0.000 2.072 304 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 304 E C 2.226 178.820 176.600 -0.010 0.000 0.982 304 E CA 0.537 56.936 56.400 -0.001 0.000 0.803 304 E CB -0.144 29.555 29.700 -0.002 0.000 0.755 304 E HN 0.341 nan 8.360 nan 0.000 0.453 305 L N 1.185 122.399 121.223 -0.014 0.000 1.971 305 L HA -0.237 4.102 4.340 -0.000 0.000 0.215 305 L C 2.224 179.065 176.870 -0.047 0.000 1.072 305 L CA 1.664 56.487 54.840 -0.027 0.000 0.758 305 L CB -0.922 41.123 42.059 -0.023 0.000 0.889 305 L HN 0.301 nan 8.230 nan 0.000 0.433 306 L N 0.095 121.288 121.223 -0.050 0.000 2.131 306 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 306 L C 2.806 179.641 176.870 -0.058 0.000 1.092 306 L CA 1.716 56.504 54.840 -0.087 0.000 0.759 306 L CB -1.914 40.121 42.059 -0.040 0.000 0.903 306 L HN 0.352 nan 8.230 nan 0.000 0.435 307 A N -1.064 121.747 122.820 -0.015 0.000 2.121 307 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 307 A C 1.980 179.590 177.584 0.043 0.000 1.154 307 A CA 0.885 52.930 52.037 0.013 0.000 0.679 307 A CB -0.339 18.675 19.000 0.023 0.000 0.795 307 A HN 0.518 nan 8.150 nan 0.000 0.458 308 Q N -0.791 119.027 119.800 0.030 0.000 2.246 308 Q HA 0.323 4.663 4.340 -0.000 0.000 0.202 308 Q C 1.329 177.377 176.000 0.081 0.000 0.883 308 Q CA -0.326 55.536 55.803 0.099 0.000 0.952 308 Q CB 0.051 28.812 28.738 0.038 0.000 1.078 308 Q HN 0.659 nan 8.270 nan 0.000 0.493 309 L N 1.688 122.900 121.223 -0.017 0.000 1.990 309 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 309 L C -0.602 176.261 176.870 -0.012 0.000 1.072 309 L CA 1.552 56.347 54.840 -0.075 0.000 0.755 309 L CB -1.012 40.943 42.059 -0.174 0.000 0.889 309 L HN 0.240 nan 8.230 nan 0.000 0.432 310 P HA -0.214 nan 4.420 nan 0.000 0.220 310 P C 1.140 178.389 177.300 -0.085 0.000 1.148 310 P CA 1.602 64.649 63.100 -0.087 0.000 0.803 310 P CB -0.076 31.508 31.700 -0.193 0.000 0.782 311 Y N 0.565 120.851 120.300 -0.022 0.000 2.263 311 Y HA -0.020 4.530 4.550 -0.000 0.000 0.292 311 Y C 2.857 178.848 175.900 0.151 0.000 1.130 311 Y CA 1.283 59.423 58.100 0.068 0.000 1.179 311 Y CB -0.887 37.598 38.460 0.041 0.000 0.998 311 Y HN -0.045 nan 8.280 nan 0.000 0.532 312 A N -0.295 122.663 122.820 0.230 0.000 1.898 312 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 312 A C 2.274 179.937 177.584 0.132 0.000 1.181 312 A CA 1.892 54.019 52.037 0.150 0.000 0.620 312 A CB -1.312 17.729 19.000 0.069 0.000 0.819 312 A HN 0.332 nan 8.150 nan 0.000 0.442 313 V N -4.257 115.733 119.914 0.126 0.000 2.548 313 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 313 V C 2.134 178.339 176.094 0.185 0.000 1.055 313 V CA 1.537 63.926 62.300 0.150 0.000 1.065 313 V CB -1.160 30.753 31.823 0.149 0.000 0.681 313 V HN 0.684 nan 8.190 nan 0.000 0.462 314 W N 1.603 122.864 121.300 -0.065 0.000 2.381 314 W HA 0.096 4.756 4.660 -0.000 0.000 0.301 314 W C 2.454 178.933 176.519 -0.066 0.000 1.205 314 W CA 2.164 59.427 57.345 -0.136 0.000 1.285 314 W CB -0.320 28.995 29.460 -0.242 0.000 1.133 314 W HN 0.312 nan 8.180 nan 0.000 0.521 315 A N -0.257 122.607 122.820 0.073 0.000 1.930 315 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 315 A C 2.105 179.645 177.584 -0.073 0.000 1.176 315 A CA 2.159 54.139 52.037 -0.095 0.000 0.632 315 A CB -1.253 17.774 19.000 0.045 0.000 0.819 315 A HN 0.313 nan 8.150 nan 0.000 0.445 316 S N -1.227 114.479 115.700 0.012 0.000 2.446 316 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 316 S C 0.602 175.250 174.600 0.079 0.000 1.016 316 S CA 0.866 59.081 58.200 0.025 0.000 0.943 316 S CB -0.305 62.916 63.200 0.035 0.000 0.786 316 S HN 0.564 nan 8.310 nan 0.000 0.508 317 E N 0.572 120.847 120.200 0.124 0.000 2.416 317 E HA -0.152 4.198 4.350 -0.000 0.000 0.249 317 E C -0.462 176.377 176.600 0.399 0.000 1.124 317 E CA 0.581 57.157 56.400 0.293 0.000 0.732 317 E CB -1.746 28.033 29.700 0.133 0.000 1.286 317 E HN 0.507 nan 8.360 nan 0.000 0.394 318 S N -0.555 115.293 115.700 0.247 0.000 2.568 318 S HA 0.573 5.043 4.470 -0.000 0.000 0.302 318 S C 0.505 175.092 174.600 -0.021 0.000 1.082 318 S CA -0.163 58.073 58.200 0.059 0.000 1.009 318 S CB 2.024 65.241 63.200 0.027 0.000 1.069 318 S HN 0.450 nan 8.310 nan 0.000 0.500 319 V N 0.231 120.038 119.914 -0.177 0.000 3.276 319 V HA 0.462 4.582 4.120 -0.000 0.000 0.319 319 V C 0.219 176.259 176.094 -0.091 0.000 1.427 319 V CA -0.348 61.842 62.300 -0.184 0.000 1.102 319 V CB 0.076 31.677 31.823 -0.371 0.000 1.020 319 V HN 0.781 nan 8.190 nan 0.000 0.456 320 D N 2.148 122.507 120.400 -0.068 0.000 2.365 320 D HA 0.267 4.907 4.640 -0.000 0.000 0.237 320 D C -1.606 174.661 176.300 -0.055 0.000 1.190 320 D CA -1.503 52.468 54.000 -0.049 0.000 0.867 320 D CB 2.278 43.048 40.800 -0.050 0.000 1.050 320 D HN 0.113 nan 8.370 nan 0.000 0.491 321 P HA -0.159 nan 4.420 nan 0.000 0.216 321 P C 0.855 178.068 177.300 -0.145 0.000 1.157 321 P CA 1.084 64.168 63.100 -0.028 0.000 0.880 321 P CB 0.379 32.082 31.700 0.005 0.000 0.791 322 D N -1.057 119.212 120.400 -0.218 0.000 2.117 322 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 322 D C 1.912 177.688 176.300 -0.875 0.000 0.982 322 D CA 1.036 54.749 54.000 -0.479 0.000 0.828 322 D CB -0.277 40.315 40.800 -0.347 0.000 0.967 322 D HN 0.063 nan 8.370 nan 0.000 0.464 323 I N 1.758 122.008 120.570 -0.533 0.000 2.226 323 I HA -0.206 3.963 4.170 -0.000 0.000 0.245 323 I C 2.510 178.473 176.117 -0.256 0.000 1.100 323 I CA 0.672 61.746 61.300 -0.378 0.000 1.374 323 I CB -0.831 37.115 38.000 -0.090 0.000 1.057 323 I HN 0.027 nan 8.210 nan 0.000 0.413 324 I N 1.037 121.493 120.570 -0.189 0.000 2.208 324 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 324 I C 2.414 178.451 176.117 -0.134 0.000 1.097 324 I CA 1.465 62.697 61.300 -0.113 0.000 1.363 324 I CB -1.163 36.788 38.000 -0.082 0.000 1.051 324 I HN 0.369 nan 8.210 nan 0.000 0.413 325 E N -0.267 119.808 120.200 -0.209 0.000 2.204 325 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 325 E C 2.132 178.719 176.600 -0.021 0.000 0.989 325 E CA 1.038 57.362 56.400 -0.127 0.000 0.824 325 E CB -0.123 29.509 29.700 -0.114 0.000 0.756 325 E HN 0.483 nan 8.360 nan 0.000 0.477 326 Y N 0.374 120.605 120.300 -0.116 0.000 2.286 326 Y HA -0.040 4.510 4.550 -0.000 0.000 0.293 326 Y C 2.088 177.997 175.900 0.016 0.000 1.124 326 Y CA 0.486 58.549 58.100 -0.062 0.000 1.178 326 Y CB -0.454 37.986 38.460 -0.034 0.000 1.010 326 Y HN 0.001 nan 8.280 nan 0.000 0.536 327 L N -1.279 120.021 121.223 0.127 0.000 2.209 327 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 327 L C 2.360 179.249 176.870 0.032 0.000 1.094 327 L CA 0.465 55.342 54.840 0.061 0.000 0.790 327 L CB -0.633 41.441 42.059 0.025 0.000 0.932 327 L HN 0.187 nan 8.230 nan 0.000 0.447 328 L N 1.012 122.239 121.223 0.007 0.000 1.978 328 L HA -0.190 4.150 4.340 -0.000 0.000 0.218 328 L C 0.080 176.940 176.870 -0.016 0.000 1.075 328 L CA 2.197 57.026 54.840 -0.018 0.000 0.767 328 L CB -1.363 40.653 42.059 -0.071 0.000 0.890 328 L HN 0.214 nan 8.230 nan 0.000 0.434 329 P HA -0.208 nan 4.420 nan 0.000 0.215 329 P C 1.963 179.208 177.300 -0.091 0.000 1.157 329 P CA 1.687 64.773 63.100 -0.024 0.000 0.868 329 P CB -0.076 31.633 31.700 0.015 0.000 0.788 330 L N -0.710 120.450 121.223 -0.105 0.000 2.012 330 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 330 L C 2.732 179.337 176.870 -0.441 0.000 1.073 330 L CA 2.227 56.881 54.840 -0.311 0.000 0.748 330 L CB -1.939 40.020 42.059 -0.167 0.000 0.891 330 L HN 0.034 nan 8.230 nan 0.000 0.431 331 T N 0.182 114.688 114.554 -0.080 0.000 2.635 331 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 331 T C 2.041 176.758 174.700 0.029 0.000 1.040 331 T CA 1.604 63.768 62.100 0.107 0.000 1.156 331 T CB -0.405 68.535 68.868 0.120 0.000 0.863 331 T HN 0.470 nan 8.240 nan 0.000 0.430 332 A N 1.645 124.446 122.820 -0.032 0.000 1.873 332 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 332 A C 2.291 179.840 177.584 -0.058 0.000 1.193 332 A CA 1.912 53.925 52.037 -0.039 0.000 0.629 332 A CB -1.044 17.931 19.000 -0.043 0.000 0.826 332 A HN 0.443 nan 8.150 nan 0.000 0.447 333 L N -1.260 119.876 121.223 -0.145 0.000 2.051 333 L HA -0.218 4.122 4.340 -0.000 0.000 0.214 333 L C 2.270 179.080 176.870 -0.101 0.000 1.076 333 L CA 2.174 56.912 54.840 -0.170 0.000 0.758 333 L CB -1.047 40.838 42.059 -0.290 0.000 0.890 333 L HN 0.465 nan 8.230 nan 0.000 0.433 334 Y N 0.159 120.468 120.300 0.015 0.000 2.181 334 Y HA -0.128 4.421 4.550 -0.000 0.000 0.288 334 Y C 2.771 178.736 175.900 0.108 0.000 1.146 334 Y CA 1.564 59.696 58.100 0.054 0.000 1.164 334 Y CB -0.724 37.778 38.460 0.070 0.000 0.982 334 Y HN 0.198 nan 8.280 nan 0.000 0.515 335 R N -0.350 120.271 120.500 0.202 0.000 2.092 335 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 335 R C 2.184 178.528 176.300 0.073 0.000 1.119 335 R CA 1.110 57.273 56.100 0.105 0.000 0.970 335 R CB -0.468 29.831 30.300 -0.001 0.000 0.864 335 R HN 0.262 nan 8.270 nan 0.000 0.440 336 A N 0.879 123.727 122.820 0.047 0.000 2.251 336 A HA 0.061 4.381 4.320 -0.000 0.000 0.209 336 A C 0.593 178.203 177.584 0.042 0.000 1.187 336 A CA -0.225 51.828 52.037 0.027 0.000 0.823 336 A CB -0.015 18.986 19.000 0.000 0.000 0.846 336 A HN 0.094 nan 8.150 nan 0.000 0.486 337 L N 1.429 122.700 121.223 0.080 0.000 2.513 337 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 337 L C -0.699 176.232 176.870 0.103 0.000 1.187 337 L CA 0.359 55.237 54.840 0.063 0.000 0.895 337 L CB 0.150 42.224 42.059 0.024 0.000 1.147 337 L HN 0.181 nan 8.230 nan 0.000 0.483 338 D N 3.172 123.604 120.400 0.053 0.000 2.277 338 D HA 0.736 5.376 4.640 -0.000 0.000 0.250 338 D C 0.373 176.717 176.300 0.074 0.000 1.032 338 D CA 0.805 54.840 54.000 0.059 0.000 0.947 338 D CB 1.654 42.469 40.800 0.024 0.000 1.159 338 D HN 0.847 nan 8.370 nan 0.000 0.460 339 G N 1.132 109.979 108.800 0.079 0.000 2.549 339 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.404 339 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.404 339 G C -2.464 172.510 174.900 0.122 0.000 1.292 339 G CA -0.800 44.349 45.100 0.083 0.000 0.935 339 G HN 0.528 nan 8.290 nan 0.000 0.512 340 P HA 0.391 nan 4.420 nan 0.000 0.276 340 P C 0.219 177.648 177.300 0.214 0.000 1.252 340 P CA -0.311 62.865 63.100 0.126 0.000 0.802 340 P CB 0.401 32.157 31.700 0.093 0.000 1.035 341 E N 1.542 121.842 120.200 0.166 0.000 2.502 341 E HA 0.061 4.411 4.350 -0.000 0.000 0.261 341 E C -0.096 176.701 176.600 0.328 0.000 0.974 341 E CA -0.227 56.302 56.400 0.216 0.000 0.936 341 E CB 0.269 30.042 29.700 0.122 0.000 0.926 341 E HN 0.249 nan 8.360 nan 0.000 0.459 342 R N 2.125 122.940 120.500 0.525 0.000 2.902 342 R HA 0.401 4.741 4.340 -0.000 0.000 0.258 342 R C -0.363 176.095 176.300 0.264 0.000 1.071 342 R CA -1.210 55.051 56.100 0.269 0.000 1.024 342 R CB 1.346 31.703 30.300 0.094 0.000 1.184 342 R HN 0.659 nan 8.270 nan 0.000 0.492 343 R N 1.853 122.474 120.500 0.202 0.000 2.239 343 R HA 0.412 4.752 4.340 -0.000 0.000 0.332 343 R C -0.664 175.716 176.300 0.134 0.000 0.988 343 R CA -0.237 56.008 56.100 0.243 0.000 0.859 343 R CB 0.122 30.564 30.300 0.236 0.000 1.148 343 R HN 0.524 nan 8.270 nan 0.000 0.482 344 I N 5.458 126.068 120.570 0.067 0.000 2.359 344 I HA 0.262 4.431 4.170 -0.000 0.000 0.294 344 I C -0.067 176.018 176.117 -0.052 0.000 0.987 344 I CA -0.887 60.415 61.300 0.003 0.000 1.225 344 I CB 1.542 39.534 38.000 -0.013 0.000 1.366 344 I HN 0.407 nan 8.210 nan 0.000 0.466 345 L N 5.001 126.219 121.223 -0.010 0.000 2.352 345 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 345 L C 0.342 177.230 176.870 0.030 0.000 1.034 345 L CA -0.148 54.674 54.840 -0.030 0.000 0.806 345 L CB 1.905 43.960 42.059 -0.007 0.000 1.244 345 L HN 0.721 nan 8.230 nan 0.000 0.447 346 T N -2.429 112.166 114.554 0.068 0.000 2.804 346 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 346 T C 0.273 175.134 174.700 0.268 0.000 1.099 346 T CA -0.077 62.141 62.100 0.196 0.000 1.011 346 T CB 1.904 70.966 68.868 0.323 0.000 1.291 346 T HN 0.627 nan 8.240 nan 0.000 0.523 347 G N -0.586 108.412 108.800 0.331 0.000 3.651 347 G HA2 0.243 4.203 3.960 -0.000 0.000 0.279 347 G HA3 0.243 4.203 3.960 -0.000 0.000 0.279 347 G C -0.349 174.765 174.900 0.356 0.000 1.024 347 G CA -0.418 44.974 45.100 0.487 0.000 0.813 347 G HN 0.718 nan 8.290 nan 0.000 0.518 348 Y N 0.907 121.329 120.300 0.203 0.000 2.511 348 Y HA 0.358 4.908 4.550 -0.000 0.000 0.332 348 Y C 1.512 177.411 175.900 -0.002 0.000 1.177 348 Y CA 1.659 59.772 58.100 0.022 0.000 1.422 348 Y CB 1.095 39.506 38.460 -0.082 0.000 1.271 348 Y HN 0.272 nan 8.280 nan 0.000 0.550 349 G N 2.626 111.196 108.800 -0.384 0.000 2.258 349 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.233 349 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.233 349 G C 1.203 176.179 174.900 0.127 0.000 1.006 349 G CA 0.253 45.278 45.100 -0.125 0.000 0.620 349 G HN 1.256 nan 8.290 nan 0.000 0.511 350 A N 0.753 123.507 122.820 -0.110 0.000 1.958 350 A HA -0.091 4.229 4.320 -0.000 0.000 0.221 350 A C 1.910 179.377 177.584 -0.194 0.000 1.178 350 A CA 2.499 54.316 52.037 -0.367 0.000 0.642 350 A CB -0.513 17.861 19.000 -1.043 0.000 0.816 350 A HN 0.540 nan 8.150 nan 0.000 0.453 351 D N -0.310 119.976 120.400 -0.189 0.000 2.224 351 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 351 D C 1.890 178.188 176.300 -0.002 0.000 0.965 351 D CA 1.035 54.968 54.000 -0.112 0.000 0.852 351 D CB -0.228 40.477 40.800 -0.159 0.000 0.947 351 D HN 0.573 nan 8.370 nan 0.000 0.494 352 I N 1.331 121.938 120.570 0.061 0.000 2.163 352 I HA -0.218 3.951 4.170 -0.000 0.000 0.243 352 I C -0.677 175.529 176.117 0.148 0.000 1.085 352 I CA 1.251 62.653 61.300 0.170 0.000 1.347 352 I CB -1.393 36.813 38.000 0.343 0.000 1.044 352 I HN -0.030 nan 8.210 nan 0.000 0.408 353 P HA 0.017 nan 4.420 nan 0.000 0.241 353 P C 1.217 178.535 177.300 0.030 0.000 1.191 353 P CA 1.035 64.159 63.100 0.040 0.000 0.771 353 P CB 0.155 31.838 31.700 -0.028 0.000 0.929 354 L N -3.003 118.237 121.223 0.028 0.000 2.731 354 L HA 0.391 4.731 4.340 -0.000 0.000 0.240 354 L C 1.304 178.195 176.870 0.035 0.000 1.120 354 L CA 0.299 55.152 54.840 0.021 0.000 0.913 354 L CB -0.547 41.509 42.059 -0.005 0.000 1.213 354 L HN 0.002 nan 8.230 nan 0.000 0.515 355 G N 0.903 109.737 108.800 0.058 0.000 2.225 355 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 355 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 355 G C 0.951 175.938 174.900 0.146 0.000 1.024 355 G CA 0.337 45.495 45.100 0.096 0.000 0.784 355 G HN 0.504 nan 8.290 nan 0.000 0.507 356 G N -0.892 107.954 108.800 0.077 0.000 2.625 356 G HA2 0.133 4.093 3.960 -0.000 0.000 0.214 356 G HA3 0.133 4.093 3.960 -0.000 0.000 0.214 356 G C 1.328 176.245 174.900 0.028 0.000 1.132 356 G CA 1.444 46.564 45.100 0.034 0.000 0.782 356 G HN 0.633 nan 8.290 nan 0.000 0.538 357 M N -0.211 119.427 119.600 0.063 0.000 2.428 357 M HA 0.339 4.819 4.480 -0.000 0.000 0.239 357 M C 1.283 177.513 176.300 -0.117 0.000 1.121 357 M CA 0.368 55.641 55.300 -0.047 0.000 1.019 357 M CB 0.038 32.569 32.600 -0.116 0.000 1.485 357 M HN 0.224 nan 8.290 nan 0.000 0.484 358 H N -0.634 118.454 119.070 0.029 0.000 2.750 358 H HA 0.416 4.972 4.556 -0.000 0.000 0.263 358 H C -0.212 175.133 175.328 0.029 0.000 0.964 358 H CA 0.082 56.155 56.048 0.041 0.000 1.205 358 H CB 0.341 30.133 29.762 0.048 0.000 1.454 358 H HN 0.159 nan 8.280 nan 0.000 0.503 359 R N 1.561 122.133 120.500 0.120 0.000 3.127 359 R HA -0.149 4.191 4.340 -0.000 0.000 0.247 359 R C -1.060 175.284 176.300 0.074 0.000 0.896 359 R CA 0.260 56.403 56.100 0.071 0.000 0.624 359 R CB -1.421 28.904 30.300 0.042 0.000 1.154 359 R HN 0.385 nan 8.270 nan 0.000 0.474 360 E N 0.729 120.975 120.200 0.076 0.000 2.151 360 E HA 0.091 4.441 4.350 -0.000 0.000 0.275 360 E C 0.051 176.669 176.600 0.031 0.000 0.936 360 E CA -0.483 55.948 56.400 0.052 0.000 0.777 360 E CB 1.383 31.111 29.700 0.047 0.000 1.108 360 E HN 0.134 nan 8.360 nan 0.000 0.401 361 D N 1.601 122.013 120.400 0.020 0.000 2.346 361 D HA 0.023 4.663 4.640 -0.000 0.000 0.206 361 D C 0.105 176.403 176.300 -0.004 0.000 1.001 361 D CA 0.347 54.352 54.000 0.008 0.000 0.871 361 D CB 0.389 41.193 40.800 0.007 0.000 0.943 361 D HN 0.060 nan 8.370 nan 0.000 0.518 362 R N 1.118 121.618 120.500 -0.001 0.000 2.216 362 R HA 0.304 4.644 4.340 -0.000 0.000 0.332 362 R C 1.298 177.591 176.300 -0.012 0.000 1.056 362 R CA -0.232 55.862 56.100 -0.009 0.000 0.901 362 R CB 1.216 31.513 30.300 -0.005 0.000 1.039 362 R HN 0.010 nan 8.270 nan 0.000 0.456 363 L N 4.450 125.661 121.223 -0.020 0.000 2.013 363 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 363 L C -0.737 176.122 176.870 -0.018 0.000 1.073 363 L CA 1.653 56.481 54.840 -0.021 0.000 0.753 363 L CB -1.419 40.622 42.059 -0.029 0.000 0.890 363 L HN 0.450 nan 8.230 nan 0.000 0.432 364 P HA -0.204 nan 4.420 nan 0.000 0.214 364 P C 1.553 178.841 177.300 -0.019 0.000 1.163 364 P CA 2.002 65.091 63.100 -0.017 0.000 0.889 364 P CB -0.035 31.655 31.700 -0.016 0.000 0.790 365 A N -0.776 122.034 122.820 -0.017 0.000 1.972 365 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 365 A C 2.246 179.809 177.584 -0.036 0.000 1.169 365 A CA 1.188 53.212 52.037 -0.021 0.000 0.635 365 A CB -1.664 17.331 19.000 -0.008 0.000 0.810 365 A HN 0.143 nan 8.150 nan 0.000 0.446 366 L N -0.815 120.392 121.223 -0.027 0.000 2.083 366 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 366 L C 1.989 178.836 176.870 -0.039 0.000 1.083 366 L CA 1.950 56.769 54.840 -0.034 0.000 0.752 366 L CB -0.342 41.709 42.059 -0.012 0.000 0.899 366 L HN 0.349 nan 8.230 nan 0.000 0.433 367 D N -1.011 119.374 120.400 -0.024 0.000 2.123 367 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 367 D C 2.033 178.325 176.300 -0.014 0.000 0.976 367 D CA 1.501 55.492 54.000 -0.014 0.000 0.831 367 D CB 0.152 40.947 40.800 -0.009 0.000 0.974 367 D HN 0.269 nan 8.370 nan 0.000 0.469 368 T N 0.383 114.923 114.554 -0.023 0.000 2.652 368 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 368 T C 2.177 176.865 174.700 -0.021 0.000 1.039 368 T CA 0.935 63.022 62.100 -0.022 0.000 1.153 368 T CB -0.391 68.456 68.868 -0.036 0.000 0.863 368 T HN -0.052 nan 8.240 nan 0.000 0.428 369 V N 2.328 122.194 119.914 -0.079 0.000 2.261 369 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 369 V C 2.505 178.525 176.094 -0.124 0.000 1.047 369 V CA 2.017 64.209 62.300 -0.180 0.000 1.015 369 V CB -0.820 30.733 31.823 -0.450 0.000 0.642 369 V HN 0.541 nan 8.190 nan 0.000 0.446 370 L N 0.685 121.856 121.223 -0.087 0.000 2.083 370 L HA -0.010 4.330 4.340 -0.000 0.000 0.209 370 L C 2.407 179.315 176.870 0.063 0.000 1.083 370 L CA 2.451 57.289 54.840 -0.004 0.000 0.752 370 L CB -1.556 40.507 42.059 0.007 0.000 0.899 370 L HN 0.120 nan 8.230 nan 0.000 0.433 371 A N 0.082 122.940 122.820 0.064 0.000 1.873 371 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 371 A C 2.533 180.214 177.584 0.161 0.000 1.193 371 A CA 2.064 54.160 52.037 0.098 0.000 0.629 371 A CB -1.403 17.637 19.000 0.067 0.000 0.826 371 A HN 0.838 nan 8.150 nan 0.000 0.447 372 H N -0.823 118.283 119.070 0.061 0.000 2.403 372 H HA -0.090 4.466 4.556 -0.000 0.000 0.298 372 H C 1.373 176.784 175.328 0.139 0.000 1.059 372 H CA 1.480 57.578 56.048 0.083 0.000 1.363 372 H CB -0.390 29.404 29.762 0.053 0.000 1.410 372 H HN 0.348 nan 8.280 nan 0.000 0.528 373 D N 0.859 121.285 120.400 0.043 0.000 2.157 373 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 373 D C 2.169 178.621 176.300 0.253 0.000 1.004 373 D CA 1.352 55.413 54.000 0.102 0.000 0.854 373 D CB -0.091 40.813 40.800 0.174 0.000 0.936 373 D HN 0.361 nan 8.370 nan 0.000 0.446 374 M N -0.468 119.298 119.600 0.277 0.000 2.394 374 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 374 M C 1.832 178.432 176.300 0.500 0.000 1.073 374 M CA 0.506 56.066 55.300 0.433 0.000 1.111 374 M CB -0.597 32.165 32.600 0.270 0.000 1.401 374 M HN -0.037 nan 8.290 nan 0.000 0.448 375 A N -0.261 122.706 122.820 0.245 0.000 2.308 375 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 375 A C 1.530 179.118 177.584 0.007 0.000 1.216 375 A CA 1.010 53.125 52.037 0.129 0.000 0.864 375 A CB -0.557 18.504 19.000 0.103 0.000 0.902 375 A HN 0.497 nan 8.150 nan 0.000 0.499 376 T N -3.897 110.658 114.554 0.003 0.000 3.275 376 T HA 0.212 4.562 4.350 -0.000 0.000 0.298 376 T C 0.865 175.554 174.700 -0.018 0.000 0.988 376 T CA 0.260 62.305 62.100 -0.091 0.000 0.936 376 T CB -1.070 67.659 68.868 -0.232 0.000 1.159 376 T HN 0.426 nan 8.240 nan 0.000 0.519 377 F N 0.518 120.504 119.950 0.059 0.000 2.512 377 F HA 0.389 4.916 4.527 -0.000 0.000 0.296 377 F C 0.448 176.260 175.800 0.020 0.000 1.110 377 F CA -0.767 57.263 58.000 0.049 0.000 1.446 377 F CB -0.522 38.540 39.000 0.103 0.000 1.092 377 F HN 0.017 nan 8.300 nan 0.000 0.554 378 D N 1.003 121.004 120.400 -0.666 0.000 2.425 378 D HA 0.343 4.983 4.640 -0.000 0.000 0.247 378 D C 1.291 177.489 176.300 -0.171 0.000 1.147 378 D CA 1.338 55.083 54.000 -0.425 0.000 0.879 378 D CB 0.980 41.484 40.800 -0.492 0.000 1.179 378 D HN 0.538 nan 8.370 nan 0.000 0.456 379 G N 2.804 111.547 108.800 -0.096 0.000 2.213 379 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 379 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 379 G C 1.220 176.106 174.900 -0.023 0.000 0.992 379 G CA 0.330 45.398 45.100 -0.053 0.000 0.632 379 G HN 0.504 nan 8.290 nan 0.000 0.511 380 L N -0.157 121.059 121.223 -0.011 0.000 2.270 380 L HA 0.124 4.464 4.340 -0.000 0.000 0.210 380 L C 1.589 178.457 176.870 -0.004 0.000 1.104 380 L CA 0.964 55.805 54.840 0.001 0.000 0.804 380 L CB -0.421 41.656 42.059 0.030 0.000 0.937 380 L HN 0.297 nan 8.230 nan 0.000 0.450 381 N N 0.279 118.970 118.700 -0.015 0.000 2.708 381 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 381 N C 1.080 176.532 175.510 -0.097 0.000 1.123 381 N CA 1.308 54.333 53.050 -0.042 0.000 0.739 381 N CB -1.096 37.395 38.487 0.007 0.000 1.113 381 N HN 0.670 nan 8.380 nan 0.000 0.561 382 E N -0.527 119.603 120.200 -0.117 0.000 2.209 382 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 382 E C 1.188 177.525 176.600 -0.438 0.000 0.993 382 E CA 1.135 57.412 56.400 -0.205 0.000 0.819 382 E CB -0.177 29.468 29.700 -0.091 0.000 0.745 382 E HN 0.509 nan 8.360 nan 0.000 0.477 383 M N 1.480 120.824 119.600 -0.427 0.000 2.419 383 M HA 0.132 4.611 4.480 -0.000 0.000 0.252 383 M C 0.454 176.612 176.300 -0.237 0.000 1.143 383 M CA -0.382 54.588 55.300 -0.549 0.000 0.985 383 M CB 1.033 33.206 32.600 -0.713 0.000 1.489 383 M HN -0.062 nan 8.290 nan 0.000 0.484 384 S N 1.968 117.556 115.700 -0.188 0.000 2.558 384 S HA 0.049 4.519 4.470 -0.000 0.000 0.291 384 S C -1.237 173.260 174.600 -0.171 0.000 1.306 384 S CA -0.995 57.122 58.200 -0.138 0.000 1.056 384 S CB 0.580 63.719 63.200 -0.102 0.000 0.836 384 S HN 0.233 nan 8.310 nan 0.000 0.504 385 P HA -0.011 nan 4.420 nan 0.000 0.225 385 P C 1.491 178.610 177.300 -0.301 0.000 1.156 385 P CA 0.548 63.435 63.100 -0.354 0.000 0.787 385 P CB -0.117 31.359 31.700 -0.373 0.000 0.802 386 V N 0.963 120.754 119.914 -0.206 0.000 2.380 386 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 386 V C 2.671 178.668 176.094 -0.162 0.000 1.063 386 V CA 1.389 63.577 62.300 -0.187 0.000 1.055 386 V CB -1.338 30.391 31.823 -0.156 0.000 0.657 386 V HN 0.035 nan 8.190 nan 0.000 0.455 387 L N 0.984 122.123 121.223 -0.139 0.000 2.137 387 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 387 L C 2.470 179.267 176.870 -0.122 0.000 1.085 387 L CA 2.722 57.534 54.840 -0.047 0.000 0.760 387 L CB -1.506 40.562 42.059 0.015 0.000 0.893 387 L HN 0.712 nan 8.230 nan 0.000 0.434 388 S N -2.787 112.659 115.700 -0.423 0.000 2.527 388 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 388 S C 1.759 176.168 174.600 -0.318 0.000 1.059 388 S CA 0.530 58.367 58.200 -0.606 0.000 0.919 388 S CB -0.314 62.253 63.200 -1.055 0.000 0.805 388 S HN 0.456 nan 8.310 nan 0.000 0.500 389 T N 1.951 116.285 114.554 -0.367 0.000 3.051 389 T HA 0.103 4.453 4.350 -0.000 0.000 0.269 389 T C 1.776 176.344 174.700 -0.220 0.000 1.127 389 T CA 0.874 62.709 62.100 -0.443 0.000 1.107 389 T CB -0.896 67.575 68.868 -0.662 0.000 0.898 389 T HN 0.601 nan 8.240 nan 0.000 0.517 390 L N -1.163 119.992 121.223 -0.114 0.000 2.376 390 L HA 0.466 4.806 4.340 -0.000 0.000 0.219 390 L C 2.221 179.120 176.870 0.048 0.000 1.133 390 L CA 0.974 55.827 54.840 0.022 0.000 0.816 390 L CB -0.458 41.667 42.059 0.110 0.000 0.933 390 L HN 0.260 nan 8.230 nan 0.000 0.449 391 A N -0.414 122.391 122.820 -0.025 0.000 2.431 391 A HA 0.528 4.848 4.320 -0.000 0.000 0.239 391 A C 1.577 179.008 177.584 -0.255 0.000 1.230 391 A CA 0.415 52.424 52.037 -0.047 0.000 0.928 391 A CB 0.130 19.179 19.000 0.080 0.000 1.006 391 A HN 0.707 nan 8.150 nan 0.000 0.520 392 G N -0.701 107.954 108.800 -0.243 0.000 2.176 392 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.232 392 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.232 392 G C -0.090 174.625 174.900 -0.308 0.000 0.986 392 G CA 0.151 45.111 45.100 -0.233 0.000 0.643 392 G HN 0.627 nan 8.290 nan 0.000 0.522 393 H N -0.897 118.122 119.070 -0.084 0.000 2.458 393 H HA 0.423 4.979 4.556 -0.000 0.000 0.330 393 H C -0.399 174.830 175.328 -0.164 0.000 1.111 393 H CA -0.666 55.341 56.048 -0.068 0.000 1.245 393 H CB 1.278 30.986 29.762 -0.090 0.000 1.456 393 H HN 0.348 nan 8.280 nan 0.000 0.488 394 W N 4.443 125.697 121.300 -0.077 0.000 2.390 394 W HA 0.266 4.926 4.660 -0.000 0.000 0.312 394 W C -0.807 175.637 176.519 -0.125 0.000 1.123 394 W CA -0.627 56.634 57.345 -0.139 0.000 1.202 394 W CB 1.376 30.894 29.460 0.096 0.000 1.251 394 W HN 0.575 nan 8.180 nan 0.000 0.511 395 T N 2.479 116.458 114.554 -0.957 0.000 2.887 395 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 395 T C -0.664 173.319 174.700 -1.195 0.000 1.021 395 T CA -0.586 60.997 62.100 -0.861 0.000 1.000 395 T CB 2.233 70.702 68.868 -0.665 0.000 1.034 395 T HN 0.373 nan 8.240 nan 0.000 0.467 396 T N 0.878 114.917 114.554 -0.858 0.000 2.916 396 T HA 0.453 4.803 4.350 -0.000 0.000 0.305 396 T C -1.717 172.559 174.700 -0.707 0.000 1.119 396 T CA -0.754 60.932 62.100 -0.691 0.000 1.008 396 T CB 1.003 69.778 68.868 -0.154 0.000 1.129 396 T HN 0.772 nan 8.240 nan 0.000 0.480 397 H N 4.750 123.793 119.070 -0.045 0.000 2.786 397 H HA 0.263 4.819 4.556 -0.000 0.000 0.284 397 H C -2.009 173.346 175.328 0.045 0.000 1.104 397 H CA -1.847 54.222 56.048 0.036 0.000 1.339 397 H CB 1.661 31.478 29.762 0.091 0.000 1.427 397 H HN 0.458 nan 8.280 nan 0.000 0.497 398 P HA -0.191 nan 4.420 nan 0.000 0.219 398 P C 0.936 178.189 177.300 -0.079 0.000 1.146 398 P CA 1.177 64.204 63.100 -0.122 0.000 0.808 398 P CB 0.174 31.724 31.700 -0.251 0.000 0.779 399 Y N -2.736 117.657 120.300 0.155 0.000 2.439 399 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 399 Y C 1.718 177.705 175.900 0.144 0.000 1.130 399 Y CA 0.447 58.635 58.100 0.147 0.000 1.254 399 Y CB -0.526 38.050 38.460 0.194 0.000 1.000 399 Y HN -0.046 nan 8.280 nan 0.000 0.554 400 W N 0.838 122.229 121.300 0.152 0.000 3.223 400 W HA 0.145 4.804 4.660 -0.000 0.000 0.389 400 W C 0.136 176.742 176.519 0.146 0.000 1.118 400 W CA -1.012 56.395 57.345 0.103 0.000 1.902 400 W CB -0.496 28.993 29.460 0.050 0.000 1.094 400 W HN -0.110 nan 8.180 nan 0.000 0.666 401 D N -0.052 120.430 120.400 0.137 0.000 2.472 401 D HA -0.065 4.575 4.640 -0.000 0.000 0.237 401 D C 1.863 178.081 176.300 -0.136 0.000 1.141 401 D CA 0.451 54.482 54.000 0.051 0.000 0.875 401 D CB 1.043 41.814 40.800 -0.048 0.000 1.192 401 D HN -0.032 nan 8.370 nan 0.000 0.450 402 R N 1.913 122.170 120.500 -0.406 0.000 2.091 402 R HA -0.221 4.119 4.340 -0.000 0.000 0.238 402 R C 1.446 177.550 176.300 -0.326 0.000 1.136 402 R CA 1.661 57.257 56.100 -0.840 0.000 0.959 402 R CB 0.010 29.753 30.300 -0.928 0.000 0.856 402 R HN 0.565 nan 8.270 nan 0.000 0.437 403 E N -0.492 119.605 120.200 -0.171 0.000 2.077 403 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 403 E C 1.855 178.414 176.600 -0.068 0.000 0.989 403 E CA 1.237 57.589 56.400 -0.081 0.000 0.800 403 E CB 0.048 29.721 29.700 -0.044 0.000 0.746 403 E HN 0.127 nan 8.360 nan 0.000 0.452 404 V N 0.486 120.352 119.914 -0.080 0.000 2.453 404 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 404 V C 2.132 178.180 176.094 -0.077 0.000 1.048 404 V CA 1.182 63.450 62.300 -0.053 0.000 1.049 404 V CB -0.323 31.477 31.823 -0.038 0.000 0.672 404 V HN 0.237 nan 8.190 nan 0.000 0.457 405 L N 0.294 121.416 121.223 -0.168 0.000 2.027 405 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 405 L C 2.088 178.890 176.870 -0.115 0.000 1.074 405 L CA 2.043 56.718 54.840 -0.276 0.000 0.745 405 L CB -0.859 40.892 42.059 -0.514 0.000 0.898 405 L HN 0.258 nan 8.230 nan 0.000 0.433 406 D N -0.534 119.848 120.400 -0.030 0.000 2.103 406 D HA -0.235 4.405 4.640 -0.000 0.000 0.190 406 D C 2.153 178.464 176.300 0.018 0.000 0.997 406 D CA 1.837 55.873 54.000 0.059 0.000 0.833 406 D CB -0.432 40.415 40.800 0.079 0.000 0.961 406 D HN 0.304 nan 8.370 nan 0.000 0.447 407 L N 0.693 121.917 121.223 0.001 0.000 1.970 407 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 407 L C 2.326 179.201 176.870 0.008 0.000 1.071 407 L CA 1.538 56.382 54.840 0.007 0.000 0.751 407 L CB -0.766 41.297 42.059 0.007 0.000 0.889 407 L HN 0.074 nan 8.230 nan 0.000 0.432 408 L N -1.554 119.668 121.223 -0.002 0.000 1.990 408 L HA -0.264 4.075 4.340 -0.000 0.000 0.213 408 L C 2.510 179.380 176.870 0.000 0.000 1.072 408 L CA 1.513 56.355 54.840 0.004 0.000 0.755 408 L CB -0.822 41.234 42.059 -0.004 0.000 0.889 408 L HN 0.165 nan 8.230 nan 0.000 0.432 409 V N 0.103 120.007 119.914 -0.017 0.000 2.332 409 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 409 V C 2.768 178.867 176.094 0.009 0.000 1.055 409 V CA 2.164 64.462 62.300 -0.003 0.000 1.038 409 V CB -0.530 31.294 31.823 0.003 0.000 0.651 409 V HN 0.678 nan 8.190 nan 0.000 0.450 410 S N -0.582 115.125 115.700 0.011 0.000 2.423 410 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 410 S C 0.912 175.522 174.600 0.017 0.000 1.014 410 S CA 0.380 58.587 58.200 0.011 0.000 0.965 410 S CB -0.751 62.457 63.200 0.012 0.000 0.785 410 S HN 0.457 nan 8.310 nan 0.000 0.495 411 L N 2.829 124.067 121.223 0.025 0.000 2.525 411 L HA 0.096 4.436 4.340 -0.000 0.000 0.278 411 L C 0.563 177.450 176.870 0.028 0.000 1.218 411 L CA -0.227 54.634 54.840 0.035 0.000 0.878 411 L CB -0.020 42.071 42.059 0.054 0.000 1.127 411 L HN 0.500 nan 8.230 nan 0.000 0.492 412 E N 2.167 122.381 120.200 0.024 0.000 2.392 412 E HA 0.202 4.552 4.350 -0.000 0.000 0.264 412 E C 0.910 177.517 176.600 0.012 0.000 1.024 412 E CA 0.137 56.544 56.400 0.011 0.000 0.903 412 E CB 0.985 30.685 29.700 0.001 0.000 0.963 412 E HN 0.594 nan 8.360 nan 0.000 0.432 413 A N 3.860 126.681 122.820 0.003 0.000 2.023 413 A HA -0.259 4.061 4.320 -0.000 0.000 0.223 413 A C 2.101 179.679 177.584 -0.011 0.000 1.180 413 A CA 2.128 54.165 52.037 0.001 0.000 0.659 413 A CB -1.490 17.505 19.000 -0.009 0.000 0.817 413 A HN 0.852 nan 8.150 nan 0.000 0.466 414 G N -1.255 107.525 108.800 -0.033 0.000 2.586 414 G HA2 0.067 4.027 3.960 -0.000 0.000 0.215 414 G HA3 0.067 4.027 3.960 -0.000 0.000 0.215 414 G C 1.229 176.072 174.900 -0.094 0.000 1.128 414 G CA 0.877 45.929 45.100 -0.080 0.000 0.774 414 G HN 0.494 nan 8.290 nan 0.000 0.543 415 L N -1.327 119.898 121.223 0.003 0.000 2.590 415 L HA 0.278 4.618 4.340 -0.000 0.000 0.227 415 L C 2.508 179.523 176.870 0.240 0.000 1.099 415 L CA 0.159 55.072 54.840 0.120 0.000 0.872 415 L CB 0.269 42.423 42.059 0.157 0.000 1.088 415 L HN 0.074 nan 8.230 nan 0.000 0.479 416 K N 0.289 120.768 120.400 0.130 0.000 2.121 416 K HA 0.024 4.344 4.320 -0.000 0.000 0.203 416 K C 0.831 177.517 176.600 0.143 0.000 1.041 416 K CA 0.267 56.635 56.287 0.135 0.000 0.969 416 K CB 0.256 32.798 32.500 0.071 0.000 0.799 416 K HN -0.106 nan 8.250 nan 0.000 0.456 417 R N 1.953 122.491 120.500 0.063 0.000 2.233 417 R HA 0.257 4.597 4.340 -0.000 0.000 0.334 417 R C -1.205 175.056 176.300 -0.066 0.000 1.037 417 R CA -0.237 55.881 56.100 0.029 0.000 0.920 417 R CB 0.302 30.603 30.300 0.003 0.000 1.137 417 R HN 0.010 nan 8.270 nan 0.000 0.492 418 R N 2.313 122.751 120.500 -0.103 0.000 2.680 418 R HA 0.253 4.592 4.340 -0.000 0.000 0.269 418 R C -0.884 175.182 176.300 -0.391 0.000 1.026 418 R CA -0.654 55.178 56.100 -0.446 0.000 0.889 418 R CB 0.927 30.695 30.300 -0.887 0.000 1.241 418 R HN 0.801 nan 8.270 nan 0.000 0.463 419 H N 1.481 120.360 119.070 -0.319 0.000 2.713 419 H HA -0.180 4.376 4.556 -0.000 0.000 0.311 419 H C 0.845 176.154 175.328 -0.031 0.000 1.175 419 H CA 1.599 57.546 56.048 -0.168 0.000 1.143 419 H CB -1.251 28.412 29.762 -0.164 0.000 1.434 419 H HN 1.072 nan 8.280 nan 0.000 0.418 420 G N -0.362 108.461 108.800 0.039 0.000 2.196 420 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.268 420 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.268 420 G C 0.455 175.406 174.900 0.085 0.000 0.975 420 G CA 0.860 45.992 45.100 0.054 0.000 0.648 420 G HN 0.540 nan 8.290 nan 0.000 0.538 421 R N 0.483 121.065 120.500 0.137 0.000 2.832 421 R HA 0.520 4.860 4.340 -0.000 0.000 0.271 421 R C -0.411 175.985 176.300 0.159 0.000 0.996 421 R CA -0.248 55.952 56.100 0.167 0.000 0.977 421 R CB 1.415 31.875 30.300 0.267 0.000 1.168 421 R HN 0.410 nan 8.270 nan 0.000 0.482 422 D N -0.138 120.332 120.400 0.117 0.000 2.387 422 D HA 0.170 4.810 4.640 -0.000 0.000 0.255 422 D C -0.252 176.115 176.300 0.112 0.000 1.081 422 D CA -0.637 53.423 54.000 0.100 0.000 0.994 422 D CB 0.682 41.516 40.800 0.057 0.000 1.127 422 D HN 0.379 nan 8.370 nan 0.000 0.513 423 K N -1.252 119.203 120.400 0.092 0.000 2.971 423 K HA -0.272 4.048 4.320 -0.000 0.000 0.265 423 K C 0.600 177.255 176.600 0.092 0.000 1.052 423 K CA 0.754 57.077 56.287 0.060 0.000 0.780 423 K CB -1.517 30.975 32.500 -0.014 0.000 1.214 423 K HN 0.635 nan 8.250 nan 0.000 0.478 424 W N 0.835 122.139 121.300 0.006 0.000 2.280 424 W HA -0.391 4.268 4.660 -0.000 0.000 0.332 424 W C 2.069 178.606 176.519 0.031 0.000 1.300 424 W CA 2.563 59.924 57.345 0.027 0.000 1.274 424 W CB -0.872 28.611 29.460 0.039 0.000 1.141 424 W HN 0.111 nan 8.180 nan 0.000 0.474 425 V N 1.020 120.985 119.914 0.085 0.000 2.278 425 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 425 V C 2.266 178.181 176.094 -0.298 0.000 1.062 425 V CA 2.577 64.766 62.300 -0.184 0.000 1.038 425 V CB -1.000 30.893 31.823 0.116 0.000 0.646 425 V HN 0.357 nan 8.190 nan 0.000 0.447 426 L N 0.365 121.498 121.223 -0.151 0.000 2.056 426 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 426 L C 2.613 179.378 176.870 -0.176 0.000 1.078 426 L CA 1.970 56.744 54.840 -0.110 0.000 0.749 426 L CB -0.883 41.148 42.059 -0.047 0.000 0.901 426 L HN 0.283 nan 8.230 nan 0.000 0.433 427 R N -0.395 119.965 120.500 -0.233 0.000 2.083 427 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 427 R C 2.196 178.303 176.300 -0.320 0.000 1.137 427 R CA 1.447 57.407 56.100 -0.233 0.000 0.951 427 R CB -0.778 29.402 30.300 -0.200 0.000 0.851 427 R HN 0.511 nan 8.270 nan 0.000 0.434 428 A N 1.126 123.594 122.820 -0.586 0.000 2.015 428 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 428 A C 2.285 179.681 177.584 -0.314 0.000 1.163 428 A CA 1.375 53.086 52.037 -0.544 0.000 0.646 428 A CB -0.389 18.015 19.000 -0.993 0.000 0.806 428 A HN 0.392 nan 8.150 nan 0.000 0.448 429 A N -1.358 121.301 122.820 -0.269 0.000 2.067 429 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 429 A C 1.718 179.248 177.584 -0.091 0.000 1.158 429 A CA 1.520 53.471 52.037 -0.143 0.000 0.661 429 A CB -0.238 18.704 19.000 -0.097 0.000 0.801 429 A HN 0.404 nan 8.150 nan 0.000 0.452 430 M N -1.493 118.048 119.600 -0.098 0.000 2.347 430 M HA 0.318 4.798 4.480 -0.000 0.000 0.302 430 M C 1.786 178.041 176.300 -0.075 0.000 1.051 430 M CA 0.454 55.716 55.300 -0.063 0.000 0.988 430 M CB -0.783 31.792 32.600 -0.041 0.000 1.475 430 M HN 0.359 nan 8.290 nan 0.000 0.530 431 A N 1.515 124.277 122.820 -0.096 0.000 2.076 431 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 431 A C 1.415 178.966 177.584 -0.054 0.000 1.160 431 A CA 2.015 54.001 52.037 -0.085 0.000 0.653 431 A CB -0.664 18.281 19.000 -0.092 0.000 0.801 431 A HN 0.573 nan 8.150 nan 0.000 0.455 432 D N -1.841 118.539 120.400 -0.033 0.000 2.342 432 D HA 0.428 5.067 4.640 -0.000 0.000 0.221 432 D C 0.689 177.008 176.300 0.032 0.000 1.101 432 D CA 0.729 54.728 54.000 -0.000 0.000 0.837 432 D CB 0.091 40.892 40.800 0.002 0.000 0.938 432 D HN 0.293 nan 8.370 nan 0.000 0.508 433 A N -0.216 122.615 122.820 0.018 0.000 2.653 433 A HA 0.424 4.744 4.320 -0.000 0.000 0.248 433 A C 0.147 177.743 177.584 0.020 0.000 1.211 433 A CA -0.220 51.863 52.037 0.076 0.000 0.991 433 A CB 0.477 19.506 19.000 0.049 0.000 1.252 433 A HN 0.178 nan 8.150 nan 0.000 0.593 434 L N 0.797 121.910 121.223 -0.182 0.000 2.376 434 L HA 0.483 4.823 4.340 -0.000 0.000 0.258 434 L C -2.598 173.960 176.870 -0.521 0.000 1.013 434 L CA -2.475 52.083 54.840 -0.470 0.000 0.822 434 L CB 2.623 44.544 42.059 -0.230 0.000 1.388 434 L HN -0.037 nan 8.230 nan 0.000 0.413 435 P HA 0.051 nan 4.420 nan 0.000 0.271 435 P C 0.141 177.342 177.300 -0.165 0.000 1.218 435 P CA -0.209 62.706 63.100 -0.309 0.000 0.780 435 P CB 1.310 32.877 31.700 -0.222 0.000 0.901 436 A N 3.487 126.250 122.820 -0.096 0.000 1.948 436 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 436 A C 2.045 179.597 177.584 -0.054 0.000 1.177 436 A CA 2.134 54.134 52.037 -0.062 0.000 0.636 436 A CB -1.278 17.701 19.000 -0.035 0.000 0.815 436 A HN 0.739 nan 8.150 nan 0.000 0.449 437 E N -1.020 119.149 120.200 -0.051 0.000 2.110 437 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 437 E C 1.793 178.363 176.600 -0.048 0.000 0.988 437 E CA 1.637 58.014 56.400 -0.040 0.000 0.804 437 E CB -0.836 28.845 29.700 -0.033 0.000 0.745 437 E HN 0.453 nan 8.360 nan 0.000 0.458 438 T N 1.358 115.869 114.554 -0.072 0.000 2.668 438 T HA -0.094 4.256 4.350 -0.000 0.000 0.262 438 T C 2.147 176.807 174.700 -0.067 0.000 1.045 438 T CA 1.481 63.537 62.100 -0.074 0.000 1.152 438 T CB -0.357 68.447 68.868 -0.107 0.000 0.864 438 T HN 0.036 nan 8.240 nan 0.000 0.419 439 V N 2.881 122.746 119.914 -0.081 0.000 2.317 439 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 439 V C 1.796 177.860 176.094 -0.051 0.000 1.065 439 V CA 1.590 63.845 62.300 -0.075 0.000 1.049 439 V CB -0.550 31.221 31.823 -0.087 0.000 0.651 439 V HN 0.546 nan 8.190 nan 0.000 0.450 440 N N -0.264 118.416 118.700 -0.034 0.000 2.235 440 N HA 0.067 4.806 4.740 -0.000 0.000 0.209 440 N C 0.752 176.256 175.510 -0.010 0.000 1.122 440 N CA -0.088 52.957 53.050 -0.009 0.000 0.845 440 N CB 0.167 38.656 38.487 0.004 0.000 1.004 440 N HN 0.467 nan 8.380 nan 0.000 0.499 441 R N 2.990 123.476 120.500 -0.023 0.000 2.401 441 R HA 0.117 4.457 4.340 -0.000 0.000 0.299 441 R C -2.116 174.172 176.300 -0.020 0.000 1.064 441 R CA -0.906 55.180 56.100 -0.022 0.000 1.000 441 R CB 0.437 30.719 30.300 -0.030 0.000 0.973 441 R HN -0.030 nan 8.270 nan 0.000 0.438 442 P HA -0.085 nan 4.420 nan 0.000 0.266 442 P C -0.848 176.435 177.300 -0.028 0.000 1.193 442 P CA 0.073 63.163 63.100 -0.015 0.000 0.770 442 P CB 0.550 32.242 31.700 -0.013 0.000 0.836 443 K N 2.628 123.010 120.400 -0.029 0.000 2.448 443 K HA 0.163 4.482 4.320 -0.000 0.000 0.278 443 K C -0.637 175.930 176.600 -0.056 0.000 1.009 443 K CA 0.113 56.372 56.287 -0.046 0.000 0.995 443 K CB -0.036 32.439 32.500 -0.042 0.000 0.917 443 K HN 0.512 nan 8.250 nan 0.000 0.481 444 L N 3.478 124.658 121.223 -0.071 0.000 2.541 444 L HA 0.283 4.623 4.340 -0.000 0.000 0.266 444 L C 0.108 176.916 176.870 -0.104 0.000 0.966 444 L CA -0.650 54.137 54.840 -0.088 0.000 0.871 444 L CB 1.693 43.705 42.059 -0.078 0.000 1.232 444 L HN 0.829 nan 8.230 nan 0.000 0.408 445 G N 1.677 110.392 108.800 -0.142 0.000 2.484 445 G HA2 0.192 4.152 3.960 -0.000 0.000 0.235 445 G HA3 0.192 4.152 3.960 -0.000 0.000 0.235 445 G C 0.939 175.791 174.900 -0.081 0.000 1.282 445 G CA 0.075 45.107 45.100 -0.114 0.000 0.857 445 G HN 0.530 nan 8.290 nan 0.000 0.571 446 V N 2.089 122.040 119.914 0.061 0.000 2.490 446 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 446 V C 2.354 178.505 176.094 0.095 0.000 1.061 446 V CA 2.801 65.142 62.300 0.067 0.000 1.064 446 V CB -0.880 31.005 31.823 0.104 0.000 0.670 446 V HN 0.966 nan 8.190 nan 0.000 0.461 447 H N -1.579 117.525 119.070 0.057 0.000 2.547 447 H HA 0.158 4.713 4.556 -0.000 0.000 0.272 447 H C 1.859 177.213 175.328 0.043 0.000 0.989 447 H CA 1.042 57.139 56.048 0.082 0.000 1.214 447 H CB -0.023 29.852 29.762 0.189 0.000 1.389 447 H HN 0.541 nan 8.280 nan 0.000 0.577 448 E N 0.806 120.756 120.200 -0.418 0.000 2.110 448 E HA 0.055 4.404 4.350 -0.000 0.000 0.193 448 E C 2.253 178.755 176.600 -0.164 0.000 0.950 448 E CA 0.400 56.607 56.400 -0.322 0.000 0.840 448 E CB -0.015 29.465 29.700 -0.367 0.000 0.809 448 E HN 0.569 nan 8.360 nan 0.000 0.465 449 G N 1.224 109.939 108.800 -0.142 0.000 2.807 449 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.207 449 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.207 449 G C 1.272 176.103 174.900 -0.115 0.000 1.151 449 G CA 0.986 46.017 45.100 -0.115 0.000 0.800 449 G HN 0.305 nan 8.290 nan 0.000 0.523 450 S N -2.488 113.158 115.700 -0.090 0.000 2.649 450 S HA 0.396 4.865 4.470 -0.000 0.000 0.246 450 S C 1.470 176.039 174.600 -0.052 0.000 1.057 450 S CA 0.977 59.130 58.200 -0.079 0.000 1.051 450 S CB 0.374 63.545 63.200 -0.048 0.000 1.018 450 S HN 1.399 nan 8.310 nan 0.000 0.569 451 G N 1.226 109.999 108.800 -0.044 0.000 2.212 451 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.255 451 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.255 451 G C 0.517 175.427 174.900 0.017 0.000 1.062 451 G CA 0.553 45.640 45.100 -0.021 0.000 0.815 451 G HN 0.479 nan 8.290 nan 0.000 0.497 452 T N 0.196 114.776 114.554 0.044 0.000 2.732 452 T HA -0.068 4.282 4.350 -0.000 0.000 0.261 452 T C 2.655 177.434 174.700 0.131 0.000 1.040 452 T CA 2.157 64.303 62.100 0.078 0.000 1.145 452 T CB -0.311 68.619 68.868 0.104 0.000 0.866 452 T HN 0.452 nan 8.240 nan 0.000 0.427 453 T N 2.046 116.693 114.554 0.154 0.000 2.746 453 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 453 T C 2.427 177.184 174.700 0.096 0.000 1.039 453 T CA 1.450 63.647 62.100 0.162 0.000 1.142 453 T CB -0.416 68.562 68.868 0.183 0.000 0.866 453 T HN 0.270 nan 8.240 nan 0.000 0.444 454 S N 1.489 117.222 115.700 0.054 0.000 2.348 454 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 454 S C 2.551 177.172 174.600 0.036 0.000 1.033 454 S CA 1.208 59.422 58.200 0.023 0.000 1.010 454 S CB -0.463 62.739 63.200 0.003 0.000 0.891 454 S HN 0.448 nan 8.310 nan 0.000 0.442 455 S N 1.352 117.086 115.700 0.056 0.000 2.370 455 S HA -0.076 4.394 4.470 -0.000 0.000 0.226 455 S C 1.548 176.225 174.600 0.129 0.000 1.033 455 S CA 1.085 59.324 58.200 0.065 0.000 1.011 455 S CB -0.464 62.769 63.200 0.055 0.000 0.852 455 S HN 0.507 nan 8.310 nan 0.000 0.457 456 F N 2.727 122.654 119.950 -0.038 0.000 2.171 456 F HA -0.002 4.525 4.527 -0.000 0.000 0.300 456 F C 2.213 177.976 175.800 -0.061 0.000 1.090 456 F CA 0.756 58.725 58.000 -0.051 0.000 1.293 456 F CB -0.903 38.068 39.000 -0.048 0.000 1.013 456 F HN 0.076 nan 8.300 nan 0.000 0.486 457 S N 0.285 115.940 115.700 -0.076 0.000 2.555 457 S HA -0.017 4.453 4.470 -0.000 0.000 0.230 457 S C 1.978 176.526 174.600 -0.085 0.000 0.978 457 S CA 0.168 58.266 58.200 -0.170 0.000 0.934 457 S CB -0.154 62.981 63.200 -0.108 0.000 0.766 457 S HN 0.367 nan 8.310 nan 0.000 0.533 458 R N 0.607 121.102 120.500 -0.009 0.000 2.075 458 R HA 0.167 4.507 4.340 -0.000 0.000 0.220 458 R C 2.134 178.381 176.300 -0.089 0.000 1.118 458 R CA 0.496 56.566 56.100 -0.049 0.000 0.986 458 R CB -0.947 29.340 30.300 -0.022 0.000 0.884 458 R HN 0.338 nan 8.270 nan 0.000 0.439 459 L N 1.596 122.758 121.223 -0.101 0.000 2.369 459 L HA -0.179 4.161 4.340 -0.000 0.000 0.220 459 L C 1.717 178.382 176.870 -0.341 0.000 1.119 459 L CA 1.524 56.229 54.840 -0.224 0.000 0.780 459 L CB -0.227 41.778 42.059 -0.091 0.000 0.906 459 L HN 0.142 nan 8.230 nan 0.000 0.442 460 L N -2.114 118.966 121.223 -0.238 0.000 2.187 460 L HA -0.054 4.285 4.340 -0.000 0.000 0.197 460 L C 2.285 179.102 176.870 -0.089 0.000 1.090 460 L CA 0.712 55.440 54.840 -0.186 0.000 0.781 460 L CB -0.308 41.603 42.059 -0.246 0.000 0.956 460 L HN 0.177 nan 8.230 nan 0.000 0.463 461 L N -0.108 121.064 121.223 -0.085 0.000 2.127 461 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 461 L C 1.437 178.307 176.870 0.001 0.000 1.089 461 L CA 0.954 55.771 54.840 -0.037 0.000 0.757 461 L CB -0.493 41.542 42.059 -0.040 0.000 0.899 461 L HN 0.314 nan 8.230 nan 0.000 0.434 462 D N -1.595 118.798 120.400 -0.010 0.000 2.352 462 D HA -0.066 4.574 4.640 -0.000 0.000 0.232 462 D C 1.286 177.714 176.300 0.212 0.000 1.055 462 D CA 0.851 54.883 54.000 0.053 0.000 0.891 462 D CB 0.001 40.815 40.800 0.023 0.000 0.897 462 D HN 0.502 nan 8.370 nan 0.000 0.529 463 H N -1.999 117.068 119.070 -0.006 0.000 3.058 463 H HA 0.299 4.855 4.556 -0.000 0.000 0.266 463 H C 1.356 176.679 175.328 -0.008 0.000 1.135 463 H CA 0.129 56.175 56.048 -0.003 0.000 1.174 463 H CB 1.703 31.466 29.762 0.000 0.000 1.581 463 H HN 0.205 nan 8.280 nan 0.000 0.553 464 G N 1.136 109.999 108.800 0.104 0.000 2.905 464 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.199 464 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.199 464 G C 0.153 175.069 174.900 0.027 0.000 1.370 464 G CA -0.088 45.042 45.100 0.049 0.000 0.966 464 G HN 0.197 nan 8.290 nan 0.000 0.522 465 V N 3.040 122.969 119.914 0.025 0.000 2.742 465 V HA 0.352 4.472 4.120 -0.000 0.000 0.302 465 V C 1.028 177.114 176.094 -0.012 0.000 1.133 465 V CA 1.459 63.758 62.300 -0.001 0.000 1.284 465 V CB 0.349 32.161 31.823 -0.019 0.000 0.850 465 V HN 1.735 nan 8.190 nan 0.000 0.494 466 A N 6.491 129.305 122.820 -0.011 0.000 2.378 466 A HA 0.593 4.913 4.320 -0.000 0.000 0.293 466 A C 1.130 178.703 177.584 -0.018 0.000 1.250 466 A CA -0.117 51.912 52.037 -0.013 0.000 0.915 466 A CB 0.150 19.146 19.000 -0.007 0.000 1.402 466 A HN 0.870 nan 8.150 nan 0.000 0.502 467 E N 1.077 121.268 120.200 -0.015 0.000 2.028 467 E HA -0.239 4.111 4.350 -0.000 0.000 0.217 467 E C 1.017 177.612 176.600 -0.008 0.000 1.039 467 E CA 1.958 58.351 56.400 -0.013 0.000 0.882 467 E CB -0.842 28.853 29.700 -0.009 0.000 0.794 467 E HN 0.780 nan 8.360 nan 0.000 0.488 468 D N -0.037 120.360 120.400 -0.005 0.000 2.368 468 D HA -0.081 4.558 4.640 -0.000 0.000 0.250 468 D C 1.232 177.530 176.300 -0.003 0.000 1.142 468 D CA 0.449 54.447 54.000 -0.003 0.000 0.925 468 D CB -0.236 40.561 40.800 -0.005 0.000 0.896 468 D HN 0.111 nan 8.370 nan 0.000 0.525 469 R N -0.743 119.754 120.500 -0.004 0.000 2.428 469 R HA 0.149 4.489 4.340 -0.000 0.000 0.193 469 R C 2.116 178.415 176.300 -0.001 0.000 0.852 469 R CA 0.062 56.160 56.100 -0.004 0.000 1.055 469 R CB 0.075 30.369 30.300 -0.010 0.000 1.343 469 R HN -0.036 nan 8.270 nan 0.000 0.655 470 V N 1.825 121.727 119.914 -0.020 0.000 2.236 470 V HA -0.425 3.695 4.120 -0.000 0.000 0.255 470 V C 2.315 178.374 176.094 -0.059 0.000 1.068 470 V CA 2.486 64.745 62.300 -0.069 0.000 1.044 470 V CB -0.819 30.948 31.823 -0.092 0.000 0.653 470 V HN 0.442 nan 8.190 nan 0.000 0.448 471 H N 0.250 119.263 119.070 -0.094 0.000 2.289 471 H HA -0.224 4.332 4.556 -0.000 0.000 0.296 471 H C 2.410 177.695 175.328 -0.071 0.000 1.091 471 H CA 2.489 58.488 56.048 -0.081 0.000 1.274 471 H CB -0.167 29.566 29.762 -0.049 0.000 1.364 471 H HN 0.587 nan 8.280 nan 0.000 0.490 472 E N 0.534 120.826 120.200 0.154 0.000 2.160 472 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 472 E C 2.273 178.897 176.600 0.040 0.000 0.991 472 E CA 1.458 57.905 56.400 0.078 0.000 0.810 472 E CB -0.463 29.249 29.700 0.020 0.000 0.742 472 E HN 0.474 nan 8.360 nan 0.000 0.466 473 A N 0.864 123.683 122.820 -0.001 0.000 1.877 473 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 473 A C 2.092 179.649 177.584 -0.044 0.000 1.186 473 A CA 1.801 53.820 52.037 -0.031 0.000 0.620 473 A CB -0.462 18.497 19.000 -0.067 0.000 0.822 473 A HN 0.236 nan 8.150 nan 0.000 0.443 474 K N -0.807 119.521 120.400 -0.121 0.000 2.103 474 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 474 K C 2.323 178.966 176.600 0.070 0.000 1.048 474 K CA 1.540 57.760 56.287 -0.112 0.000 0.930 474 K CB -0.175 32.162 32.500 -0.271 0.000 0.716 474 K HN 0.474 nan 8.250 nan 0.000 0.444 475 R N 1.287 121.824 120.500 0.062 0.000 2.115 475 R HA -0.135 4.204 4.340 -0.000 0.000 0.230 475 R C 2.039 178.373 176.300 0.056 0.000 1.111 475 R CA 1.375 57.520 56.100 0.075 0.000 0.976 475 R CB 0.100 30.456 30.300 0.094 0.000 0.870 475 R HN 0.273 nan 8.270 nan 0.000 0.445 476 Q N -0.483 119.346 119.800 0.048 0.000 2.187 476 Q HA -0.067 4.273 4.340 -0.000 0.000 0.199 476 Q C 2.074 178.113 176.000 0.064 0.000 0.957 476 Q CA 1.233 57.063 55.803 0.044 0.000 0.857 476 Q CB 0.352 29.109 28.738 0.032 0.000 0.929 476 Q HN 0.219 nan 8.270 nan 0.000 0.453 477 V N -0.000 119.968 119.914 0.091 0.000 2.307 477 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 477 V C 2.197 178.364 176.094 0.122 0.000 1.045 477 V CA 1.258 63.633 62.300 0.126 0.000 1.024 477 V CB -0.352 31.600 31.823 0.215 0.000 0.651 477 V HN 0.149 nan 8.190 nan 0.000 0.449 478 V N 0.195 120.187 119.914 0.130 0.000 2.343 478 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 478 V C 2.655 178.810 176.094 0.101 0.000 1.051 478 V CA 2.175 64.537 62.300 0.103 0.000 1.036 478 V CB -0.730 31.143 31.823 0.084 0.000 0.654 478 V HN 0.469 nan 8.190 nan 0.000 0.451 479 R N 0.288 120.831 120.500 0.071 0.000 2.115 479 R HA -0.102 4.237 4.340 -0.000 0.000 0.230 479 R C 2.133 178.505 176.300 0.121 0.000 1.111 479 R CA 1.380 57.516 56.100 0.061 0.000 0.976 479 R CB -0.525 29.783 30.300 0.014 0.000 0.870 479 R HN 0.445 nan 8.270 nan 0.000 0.445 480 E N 0.344 120.601 120.200 0.096 0.000 2.047 480 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 480 E C 1.979 178.632 176.600 0.088 0.000 0.987 480 E CA 1.260 57.710 56.400 0.083 0.000 0.799 480 E CB -0.179 29.558 29.700 0.062 0.000 0.752 480 E HN 0.363 nan 8.360 nan 0.000 0.449 481 L N -0.131 121.147 121.223 0.092 0.000 2.083 481 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 481 L C 2.483 179.408 176.870 0.090 0.000 1.083 481 L CA 1.016 55.892 54.840 0.061 0.000 0.752 481 L CB -0.513 41.578 42.059 0.054 0.000 0.899 481 L HN 0.077 nan 8.230 nan 0.000 0.433 482 F N 1.438 121.391 119.950 0.004 0.000 2.051 482 F HA -0.259 4.268 4.527 -0.000 0.000 0.296 482 F C 2.286 178.088 175.800 0.004 0.000 1.122 482 F CA 1.907 59.913 58.000 0.009 0.000 1.201 482 F CB -0.191 38.810 39.000 0.002 0.000 0.978 482 F HN 0.088 nan 8.300 nan 0.000 0.472 483 D N 0.644 121.187 120.400 0.238 0.000 2.133 483 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 483 D C 2.417 178.708 176.300 -0.016 0.000 0.997 483 D CA 1.810 55.875 54.000 0.107 0.000 0.840 483 D CB -0.642 40.225 40.800 0.111 0.000 0.947 483 D HN 0.335 nan 8.370 nan 0.000 0.452 484 L N 0.375 121.587 121.223 -0.018 0.000 2.027 484 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 484 L C 2.693 179.503 176.870 -0.099 0.000 1.074 484 L CA 1.722 56.529 54.840 -0.055 0.000 0.745 484 L CB -0.877 41.150 42.059 -0.054 0.000 0.898 484 L HN 0.197 nan 8.230 nan 0.000 0.433 485 T N -3.380 111.100 114.554 -0.123 0.000 2.755 485 T HA -0.035 4.315 4.350 -0.000 0.000 0.251 485 T C 1.818 176.492 174.700 -0.043 0.000 1.044 485 T CA 0.868 62.903 62.100 -0.109 0.000 1.154 485 T CB -0.699 68.107 68.868 -0.104 0.000 0.866 485 T HN 0.003 nan 8.240 nan 0.000 0.416 486 V N 1.947 121.695 119.914 -0.277 0.000 2.270 486 V HA 0.134 4.254 4.120 -0.000 0.000 0.245 486 V C 2.905 178.764 176.094 -0.392 0.000 1.043 486 V CA 1.958 63.959 62.300 -0.499 0.000 1.014 486 V CB -1.232 29.818 31.823 -1.289 0.000 0.645 486 V HN 0.729 nan 8.190 nan 0.000 0.447 487 G N -1.209 107.358 108.800 -0.388 0.000 3.233 487 G HA2 0.291 4.251 3.960 -0.000 0.000 0.227 487 G HA3 0.291 4.251 3.960 -0.000 0.000 0.227 487 G C 1.066 175.912 174.900 -0.090 0.000 1.175 487 G CA 0.675 45.674 45.100 -0.168 0.000 0.781 487 G HN 0.604 nan 8.290 nan 0.000 0.542 488 G N -1.287 107.457 108.800 -0.093 0.000 2.815 488 G HA2 0.391 4.351 3.960 -0.000 0.000 0.215 488 G HA3 0.391 4.351 3.960 -0.000 0.000 0.215 488 G C 1.119 175.993 174.900 -0.043 0.000 1.054 488 G CA 0.469 45.535 45.100 -0.056 0.000 0.832 488 G HN 1.188 nan 8.290 nan 0.000 0.557 489 G N 0.106 108.885 108.800 -0.035 0.000 2.157 489 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 489 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 489 G C 0.391 175.281 174.900 -0.016 0.000 0.979 489 G CA -0.009 45.087 45.100 -0.007 0.000 0.650 489 G HN 0.573 nan 8.290 nan 0.000 0.529 490 R N 0.313 120.775 120.500 -0.064 0.000 2.234 490 R HA 0.431 4.771 4.340 -0.000 0.000 0.324 490 R C 0.264 176.404 176.300 -0.266 0.000 1.054 490 R CA -0.711 55.317 56.100 -0.119 0.000 0.912 490 R CB 0.598 30.824 30.300 -0.124 0.000 1.030 490 R HN 0.476 nan 8.270 nan 0.000 0.455 491 H N 4.372 123.224 119.070 -0.364 0.000 2.815 491 H HA 0.048 4.603 4.556 -0.000 0.000 0.350 491 H C -1.572 173.289 175.328 -0.778 0.000 1.080 491 H CA -1.136 54.505 56.048 -0.679 0.000 1.433 491 H CB 1.187 30.672 29.762 -0.463 0.000 1.432 491 H HN 0.343 nan 8.280 nan 0.000 0.592 492 P HA -0.241 nan 4.420 nan 0.000 0.216 492 P C 1.323 178.233 177.300 -0.651 0.000 1.154 492 P CA 2.387 64.722 63.100 -1.274 0.000 0.865 492 P CB 0.018 30.330 31.700 -2.313 0.000 0.789 493 S N -1.008 114.498 115.700 -0.323 0.000 2.493 493 S HA -0.162 4.307 4.470 -0.000 0.000 0.243 493 S C 1.521 176.103 174.600 -0.031 0.000 0.991 493 S CA 1.129 59.352 58.200 0.038 0.000 0.957 493 S CB -1.014 62.317 63.200 0.218 0.000 0.756 493 S HN 0.306 nan 8.310 nan 0.000 0.521 494 E N 0.130 120.269 120.200 -0.102 0.000 2.476 494 E HA 0.216 4.566 4.350 -0.000 0.000 0.199 494 E C -0.763 175.778 176.600 -0.097 0.000 1.021 494 E CA -0.087 56.263 56.400 -0.084 0.000 0.907 494 E CB 0.885 30.535 29.700 -0.083 0.000 0.974 494 E HN 0.321 nan 8.360 nan 0.000 0.489 495 V N 2.265 122.095 119.914 -0.139 0.000 2.328 495 V HA 0.105 4.225 4.120 -0.000 0.000 0.278 495 V C -0.303 175.748 176.094 -0.071 0.000 1.021 495 V CA -0.833 61.401 62.300 -0.111 0.000 0.838 495 V CB 1.389 33.120 31.823 -0.152 0.000 0.999 495 V HN 0.066 nan 8.190 nan 0.000 0.447 496 D N 3.789 124.169 120.400 -0.033 0.000 2.339 496 D HA 0.121 4.761 4.640 -0.000 0.000 0.241 496 D C 1.252 177.558 176.300 0.010 0.000 1.183 496 D CA 0.015 54.011 54.000 -0.005 0.000 0.859 496 D CB 1.826 42.629 40.800 0.005 0.000 1.067 496 D HN 0.573 nan 8.370 nan 0.000 0.484 497 T N 2.906 117.468 114.554 0.014 0.000 2.597 497 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 497 T C 1.305 176.046 174.700 0.069 0.000 1.053 497 T CA 1.090 63.209 62.100 0.030 0.000 1.165 497 T CB -0.054 68.825 68.868 0.019 0.000 0.863 497 T HN 0.525 nan 8.240 nan 0.000 0.427 498 D N 0.829 121.278 120.400 0.082 0.000 2.228 498 D HA -0.119 4.520 4.640 -0.000 0.000 0.203 498 D C 1.665 178.053 176.300 0.146 0.000 0.988 498 D CA 1.137 55.225 54.000 0.146 0.000 0.864 498 D CB -0.213 40.669 40.800 0.136 0.000 0.928 498 D HN 0.442 nan 8.370 nan 0.000 0.469 499 D N -0.231 120.216 120.400 0.079 0.000 2.091 499 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 499 D C 2.316 178.650 176.300 0.056 0.000 0.980 499 D CA 0.377 54.406 54.000 0.049 0.000 0.831 499 D CB -0.402 40.411 40.800 0.023 0.000 0.987 499 D HN 0.055 nan 8.370 nan 0.000 0.460 500 V N 0.706 120.655 119.914 0.057 0.000 2.490 500 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 500 V C 2.474 178.622 176.094 0.090 0.000 1.061 500 V CA 0.951 63.286 62.300 0.059 0.000 1.064 500 V CB -0.449 31.405 31.823 0.051 0.000 0.670 500 V HN 0.078 nan 8.190 nan 0.000 0.461 501 V N -0.074 119.919 119.914 0.131 0.000 2.307 501 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 501 V C 2.556 178.776 176.094 0.211 0.000 1.045 501 V CA 2.384 64.791 62.300 0.179 0.000 1.024 501 V CB -0.736 31.208 31.823 0.201 0.000 0.651 501 V HN 0.479 nan 8.190 nan 0.000 0.449 502 R N 0.419 121.030 120.500 0.186 0.000 2.082 502 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 502 R C 2.438 178.757 176.300 0.032 0.000 1.136 502 R CA 2.065 58.195 56.100 0.049 0.000 0.935 502 R CB -0.438 29.833 30.300 -0.049 0.000 0.842 502 R HN 0.509 nan 8.270 nan 0.000 0.430 503 S N -0.276 115.444 115.700 0.033 0.000 2.465 503 S HA -0.085 4.385 4.470 -0.000 0.000 0.241 503 S C 1.639 176.256 174.600 0.029 0.000 1.000 503 S CA 1.138 59.352 58.200 0.022 0.000 0.964 503 S CB 0.134 63.347 63.200 0.021 0.000 0.763 503 S HN 0.194 nan 8.310 nan 0.000 0.512 504 V N 0.585 120.527 119.914 0.046 0.000 3.125 504 V HA 0.254 4.374 4.120 -0.000 0.000 0.249 504 V C 1.245 177.361 176.094 0.038 0.000 1.113 504 V CA 0.587 62.912 62.300 0.041 0.000 1.106 504 V CB -0.577 31.276 31.823 0.051 0.000 0.768 504 V HN 0.433 nan 8.190 nan 0.000 0.468 505 A N 2.554 125.407 122.820 0.055 0.000 2.897 505 A HA 0.389 4.709 4.320 -0.000 0.000 0.287 505 A C 0.354 177.953 177.584 0.025 0.000 1.748 505 A CA 0.465 52.533 52.037 0.052 0.000 1.397 505 A CB -0.975 18.089 19.000 0.106 0.000 1.049 505 A HN 0.682 nan 8.150 nan 0.000 0.592 506 D N 0.970 121.380 120.400 0.016 0.000 3.145 506 D HA 0.357 4.997 4.640 -0.000 0.000 0.345 506 D C -0.357 175.946 176.300 0.005 0.000 1.391 506 D CA -0.670 53.335 54.000 0.008 0.000 0.930 506 D CB 0.184 40.988 40.800 0.007 0.000 1.451 506 D HN 0.231 nan 8.370 nan 0.000 0.555 507 R N 0.000 120.501 120.500 0.002 0.000 2.786 507 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 507 R CA 0.000 56.100 56.100 0.001 0.000 0.921 507 R CB 0.000 30.301 30.300 0.001 0.000 0.687 507 R HN 0.000 nan 8.270 nan 0.000 0.535