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 1m1z_1_A DATA FIRST_RESID 3 DATA SEQUENCE APVLPAAFGF LASARTGGXX XXGPVFATRG SHTDIDTPQG ERSLAATLVH DATA SEQUENCE APSVAPDRAV ARSLTGAPTT AVLAGEIYNR DELLSVLPAG PAPEGDAELV DATA SEQUENCE LRLLERYDLH AFRLVNGRFA TVVRTGDRVL LATDHAGSVP LYTCVAPGEV DATA SEQUENCE RASTEAKALA AHXXXXXFPL 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 KXXXXXXXXX DATA SEQUENCE XSSFSRLLLD HGVAEXXXXX AKRQVVRELF DLTVGGGRHP SEVDTDDVVR DATA SEQUENCE SVAD 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 0.000 177.610 177.584 0.043 0.000 1.274 3 A CA 0.000 52.059 52.037 0.037 0.000 0.836 3 A CB 0.000 19.020 19.000 0.033 0.000 0.831 4 P HA 0.292 nan 4.420 nan 0.000 0.269 4 P C -0.060 177.281 177.300 0.068 0.000 1.252 4 P CA 0.271 63.418 63.100 0.078 0.000 0.780 4 P CB 0.656 32.423 31.700 0.112 0.000 0.829 5 V N 5.805 125.746 119.914 0.044 0.000 2.529 5 V HA 0.004 4.124 4.120 -0.000 0.000 0.292 5 V C 1.031 177.121 176.094 -0.006 0.000 1.028 5 V CA 0.419 62.723 62.300 0.007 0.000 1.074 5 V CB -0.140 31.679 31.823 -0.008 0.000 0.958 5 V HN 0.392 nan 8.190 nan 0.000 0.481 6 L N 6.323 127.507 121.223 -0.064 0.000 2.313 6 L HA 0.570 4.910 4.340 -0.000 0.000 0.268 6 L C -2.265 174.400 176.870 -0.342 0.000 1.010 6 L CA -2.132 52.613 54.840 -0.157 0.000 0.814 6 L CB 1.396 43.425 42.059 -0.051 0.000 1.304 6 L HN 0.391 nan 8.230 nan 0.000 0.441 7 P HA 0.011 nan 4.420 nan 0.000 0.268 7 P C 0.045 177.052 177.300 -0.488 0.000 1.208 7 P CA -0.031 62.712 63.100 -0.595 0.000 0.777 7 P CB 0.713 31.871 31.700 -0.904 0.000 0.875 8 A N 1.804 124.414 122.820 -0.349 0.000 2.019 8 A HA 0.205 4.525 4.320 -0.000 0.000 0.219 8 A C 0.985 178.373 177.584 -0.327 0.000 1.164 8 A CA 1.927 53.782 52.037 -0.303 0.000 0.644 8 A CB -0.732 18.137 19.000 -0.219 0.000 0.805 8 A HN 0.662 nan 8.150 nan 0.000 0.449 9 A N -2.893 119.743 122.820 -0.307 0.000 2.574 9 A HA 0.652 4.972 4.320 -0.000 0.000 0.297 9 A C -0.208 177.267 177.584 -0.181 0.000 1.062 9 A CA -0.564 51.346 52.037 -0.212 0.000 0.686 9 A CB 0.319 19.306 19.000 -0.023 0.000 1.285 9 A HN 0.098 nan 8.150 nan 0.000 0.403 10 F N 1.060 120.986 119.950 -0.040 0.000 2.446 10 F HA 0.450 4.977 4.527 -0.000 0.000 0.292 10 F C 1.567 177.308 175.800 -0.098 0.000 1.096 10 F CA 0.589 58.568 58.000 -0.035 0.000 1.438 10 F CB 0.261 39.255 39.000 -0.009 0.000 1.107 10 F HN 0.895 nan 8.300 nan 0.000 0.546 11 G N -1.143 107.649 108.800 -0.012 0.000 2.554 11 G HA2 0.514 4.474 3.960 -0.000 0.000 0.306 11 G HA3 0.514 4.474 3.960 -0.000 0.000 0.306 11 G C -1.901 172.854 174.900 -0.242 0.000 1.320 11 G CA -0.391 44.525 45.100 -0.307 0.000 0.800 11 G HN 0.016 nan 8.290 nan 0.000 0.481 12 F N -2.407 117.386 119.950 -0.262 0.000 2.858 12 F HA 0.815 5.342 4.527 -0.000 0.000 0.319 12 F C -2.234 173.673 175.800 0.177 0.000 1.166 12 F CA -1.526 56.438 58.000 -0.061 0.000 0.899 12 F CB 1.562 40.570 39.000 0.013 0.000 1.332 12 F HN 0.769 nan 8.300 nan 0.000 0.461 13 L N 2.073 123.701 121.223 0.675 0.000 2.441 13 L HA 0.958 5.298 4.340 -0.000 0.000 0.270 13 L C -1.215 175.886 176.870 0.385 0.000 0.973 13 L CA -0.556 54.606 54.840 0.537 0.000 0.842 13 L CB 1.175 43.483 42.059 0.414 0.000 1.239 13 L HN 1.295 nan 8.230 nan 0.000 0.406 14 A N 3.125 126.144 122.820 0.331 0.000 2.430 14 A HA 1.002 5.322 4.320 -0.000 0.000 0.300 14 A C -0.931 176.712 177.584 0.099 0.000 1.124 14 A CA 0.044 52.161 52.037 0.134 0.000 0.766 14 A CB 1.841 20.828 19.000 -0.022 0.000 1.328 14 A HN 1.093 nan 8.150 nan 0.000 0.424 15 S N -0.798 114.925 115.700 0.039 0.000 2.535 15 S HA 0.789 5.259 4.470 -0.000 0.000 0.272 15 S C -0.826 173.772 174.600 -0.003 0.000 1.149 15 S CA -0.047 58.162 58.200 0.015 0.000 0.888 15 S CB 1.377 64.572 63.200 -0.008 0.000 1.110 15 S HN 2.261 nan 8.310 nan 0.000 0.463 16 A N 2.489 125.304 122.820 -0.008 0.000 2.335 16 A HA 0.908 5.228 4.320 -0.000 0.000 0.304 16 A C -0.211 177.360 177.584 -0.021 0.000 1.118 16 A CA -0.783 51.246 52.037 -0.013 0.000 0.757 16 A CB 1.057 20.052 19.000 -0.010 0.000 1.188 16 A HN 0.867 nan 8.150 nan 0.000 0.460 17 R N 0.219 120.706 120.500 -0.022 0.000 2.846 17 R HA 0.698 5.038 4.340 -0.000 0.000 0.263 17 R C 0.403 176.689 176.300 -0.023 0.000 1.080 17 R CA -0.031 56.053 56.100 -0.027 0.000 0.961 17 R CB 1.797 32.079 30.300 -0.031 0.000 1.231 17 R HN 0.709 nan 8.270 nan 0.000 0.465 18 T N -3.583 110.956 114.554 -0.025 0.000 3.016 18 T HA 0.292 4.642 4.350 -0.000 0.000 0.271 18 T C 0.743 175.432 174.700 -0.019 0.000 0.968 18 T CA 0.190 62.277 62.100 -0.021 0.000 0.891 18 T CB 0.901 69.755 68.868 -0.023 0.000 1.149 18 T HN 0.580 nan 8.240 nan 0.000 0.524 19 G N 1.203 109.990 108.800 -0.022 0.000 3.387 19 G HA2 0.628 4.587 3.960 -0.000 0.000 0.194 19 G HA3 0.628 4.587 3.960 -0.000 0.000 0.194 19 G C 0.620 175.510 174.900 -0.017 0.000 1.417 19 G CA -0.081 45.008 45.100 -0.019 0.000 0.777 19 G HN 0.499 nan 8.290 nan 0.000 0.721 26 P HA 0.356 nan 4.420 nan 0.000 0.262 26 P C -0.267 176.832 177.300 -0.335 0.000 1.199 26 P CA -0.037 62.886 63.100 -0.295 0.000 0.763 26 P CB 1.408 32.923 31.700 -0.308 0.000 0.790 27 V N 5.066 124.717 119.914 -0.438 0.000 2.409 27 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 27 V C -0.297 175.612 176.094 -0.308 0.000 1.020 27 V CA -0.398 61.770 62.300 -0.221 0.000 0.848 27 V CB 0.659 32.450 31.823 -0.054 0.000 0.990 27 V HN 0.339 nan 8.190 nan 0.000 0.430 28 F N 1.692 121.710 119.950 0.114 0.000 2.575 28 F HA 0.720 5.247 4.527 -0.000 0.000 0.330 28 F C 1.106 176.823 175.800 -0.138 0.000 1.056 28 F CA -0.558 57.423 58.000 -0.031 0.000 0.964 28 F CB 1.933 40.931 39.000 -0.004 0.000 1.258 28 F HN 0.463 nan 8.300 nan 0.000 0.484 29 A N -0.116 122.525 122.820 -0.297 0.000 1.975 29 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 29 A C 0.929 178.323 177.584 -0.317 0.000 1.170 29 A CA 0.625 52.065 52.037 -0.996 0.000 0.656 29 A CB -0.853 17.238 19.000 -1.514 0.000 0.821 29 A HN 0.659 nan 8.150 nan 0.000 0.449 30 T N 1.293 115.761 114.554 -0.143 0.000 2.902 30 T HA 0.225 4.575 4.350 -0.000 0.000 0.301 30 T C 0.284 175.035 174.700 0.084 0.000 1.012 30 T CA 0.034 62.091 62.100 -0.072 0.000 1.151 30 T CB 0.385 69.185 68.868 -0.113 0.000 0.946 30 T HN 0.420 nan 8.240 nan 0.000 0.542 31 R N 1.439 121.979 120.500 0.068 0.000 2.404 31 R HA 0.597 4.937 4.340 -0.000 0.000 0.291 31 R C 0.359 176.758 176.300 0.165 0.000 1.025 31 R CA 0.068 56.245 56.100 0.127 0.000 0.991 31 R CB 0.501 30.854 30.300 0.089 0.000 1.053 31 R HN 0.935 nan 8.270 nan 0.000 0.479 32 G N 1.037 109.929 108.800 0.153 0.000 2.362 32 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.288 32 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.288 32 G C -1.417 173.512 174.900 0.049 0.000 1.305 32 G CA -0.855 44.319 45.100 0.124 0.000 0.910 32 G HN 0.567 nan 8.290 nan 0.000 0.518 33 S N -0.453 115.175 115.700 -0.119 0.000 2.632 33 S HA 0.625 5.095 4.470 -0.000 0.000 0.267 33 S C -0.322 174.214 174.600 -0.107 0.000 1.276 33 S CA -0.263 57.817 58.200 -0.200 0.000 0.998 33 S CB 0.660 63.665 63.200 -0.325 0.000 0.953 33 S HN 0.551 nan 8.310 nan 0.000 0.547 34 H N -0.168 118.809 119.070 -0.155 0.000 2.538 34 H HA 0.495 5.051 4.556 -0.000 0.000 0.353 34 H C -0.869 174.510 175.328 0.085 0.000 1.109 34 H CA -0.699 55.348 56.048 -0.002 0.000 1.192 34 H CB 1.851 31.663 29.762 0.085 0.000 1.555 34 H HN 0.425 nan 8.280 nan 0.000 0.518 35 T N 2.980 117.697 114.554 0.271 0.000 2.991 35 T HA 0.106 4.456 4.350 -0.000 0.000 0.303 35 T C -0.904 173.889 174.700 0.156 0.000 1.015 35 T CA -0.910 61.328 62.100 0.230 0.000 1.007 35 T CB 1.424 70.458 68.868 0.277 0.000 1.034 35 T HN 0.484 nan 8.240 nan 0.000 0.446 36 D N 3.159 123.629 120.400 0.117 0.000 2.225 36 D HA 0.355 4.995 4.640 -0.000 0.000 0.248 36 D C 0.810 177.143 176.300 0.055 0.000 1.096 36 D CA -0.454 53.597 54.000 0.085 0.000 0.863 36 D CB 1.199 42.045 40.800 0.076 0.000 1.156 36 D HN 0.598 nan 8.370 nan 0.000 0.450 37 I N -1.315 119.276 120.570 0.036 0.000 2.823 37 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 37 I C 0.123 176.245 176.117 0.009 0.000 1.091 37 I CA -0.608 60.699 61.300 0.011 0.000 1.365 37 I CB 0.725 38.719 38.000 -0.010 0.000 1.427 37 I HN 0.013 nan 8.210 nan 0.000 0.583 38 D N 3.024 123.424 120.400 -0.000 0.000 2.362 38 D HA 0.163 4.803 4.640 -0.000 0.000 0.242 38 D C 0.195 176.493 176.300 -0.004 0.000 1.132 38 D CA 0.206 54.206 54.000 -0.000 0.000 0.907 38 D CB 1.216 42.014 40.800 -0.005 0.000 1.195 38 D HN 0.753 nan 8.370 nan 0.000 0.429 39 T N -1.669 112.883 114.554 -0.002 0.000 3.331 39 T HA 0.367 4.717 4.350 -0.000 0.000 0.381 39 T C -2.037 172.660 174.700 -0.006 0.000 1.656 39 T CA -1.604 60.493 62.100 -0.005 0.000 1.453 39 T CB 1.238 70.105 68.868 -0.002 0.000 1.066 39 T HN -0.057 nan 8.240 nan 0.000 0.655 40 P HA -0.212 nan 4.420 nan 0.000 0.217 40 P C 1.144 178.440 177.300 -0.007 0.000 1.162 40 P CA 1.362 64.457 63.100 -0.008 0.000 0.901 40 P CB 0.076 31.769 31.700 -0.011 0.000 0.793 41 Q N -0.262 119.533 119.800 -0.008 0.000 2.579 41 Q HA 0.323 4.663 4.340 -0.000 0.000 0.344 41 Q C 0.871 176.867 176.000 -0.007 0.000 0.997 41 Q CA 0.106 55.905 55.803 -0.008 0.000 0.991 41 Q CB -0.523 28.210 28.738 -0.009 0.000 1.279 41 Q HN 0.142 nan 8.270 nan 0.000 0.420 42 G N 3.308 112.105 108.800 -0.005 0.000 2.627 42 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.312 42 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.312 42 G C 0.585 175.481 174.900 -0.006 0.000 1.299 42 G CA 0.730 45.828 45.100 -0.004 0.000 0.989 42 G HN 0.749 nan 8.290 nan 0.000 0.547 43 E N 0.650 120.846 120.200 -0.006 0.000 2.515 43 E HA -0.000 4.350 4.350 -0.000 0.000 0.201 43 E C 2.132 178.726 176.600 -0.010 0.000 1.071 43 E CA 1.029 57.424 56.400 -0.008 0.000 0.880 43 E CB -0.080 29.614 29.700 -0.009 0.000 0.828 43 E HN 0.587 nan 8.360 nan 0.000 0.540 44 R N 0.759 121.253 120.500 -0.010 0.000 2.300 44 R HA 0.150 4.490 4.340 -0.000 0.000 0.199 44 R C 0.278 176.571 176.300 -0.011 0.000 0.920 44 R CA 0.042 56.136 56.100 -0.010 0.000 1.046 44 R CB 0.531 30.826 30.300 -0.009 0.000 0.984 44 R HN 0.042 nan 8.270 nan 0.000 0.493 45 S N 0.988 116.682 115.700 -0.011 0.000 2.669 45 S HA 0.204 4.673 4.470 -0.000 0.000 0.270 45 S C -0.386 174.204 174.600 -0.015 0.000 1.225 45 S CA -0.776 57.416 58.200 -0.013 0.000 0.991 45 S CB 1.304 64.497 63.200 -0.012 0.000 0.987 45 S HN 0.057 nan 8.310 nan 0.000 0.552 46 L N 2.311 123.522 121.223 -0.021 0.000 2.325 46 L HA 0.569 4.909 4.340 -0.000 0.000 0.284 46 L C 0.102 176.957 176.870 -0.025 0.000 1.089 46 L CA -0.054 54.770 54.840 -0.027 0.000 0.836 46 L CB -0.505 41.529 42.059 -0.042 0.000 1.184 46 L HN 0.722 nan 8.230 nan 0.000 0.444 47 A N 4.674 127.486 122.820 -0.013 0.000 2.316 47 A HA 0.926 5.246 4.320 -0.000 0.000 0.284 47 A C -0.264 177.323 177.584 0.005 0.000 1.115 47 A CA 0.160 52.197 52.037 -0.000 0.000 0.812 47 A CB 0.750 19.755 19.000 0.009 0.000 1.064 47 A HN 1.421 nan 8.150 nan 0.000 0.489 48 A N 0.770 123.603 122.820 0.021 0.000 2.590 48 A HA 0.659 4.979 4.320 -0.000 0.000 0.296 48 A C -0.561 177.072 177.584 0.082 0.000 1.050 48 A CA -0.381 51.684 52.037 0.046 0.000 0.697 48 A CB 0.721 19.703 19.000 -0.029 0.000 1.277 48 A HN 0.930 nan 8.150 nan 0.000 0.411 49 T N 2.044 116.684 114.554 0.144 0.000 2.792 49 T HA 0.581 4.931 4.350 -0.000 0.000 0.280 49 T C -0.787 174.026 174.700 0.189 0.000 0.990 49 T CA -0.207 61.984 62.100 0.152 0.000 0.960 49 T CB 0.610 69.567 68.868 0.148 0.000 0.939 49 T HN 0.415 nan 8.240 nan 0.000 0.439 50 L N 3.408 124.721 121.223 0.150 0.000 2.309 50 L HA 0.635 4.974 4.340 -0.000 0.000 0.282 50 L C -0.073 176.850 176.870 0.088 0.000 1.036 50 L CA -0.626 54.310 54.840 0.159 0.000 0.806 50 L CB 1.661 43.826 42.059 0.176 0.000 1.220 50 L HN 0.412 nan 8.230 nan 0.000 0.429 51 V N 4.312 124.205 119.914 -0.036 0.000 2.398 51 V HA 0.726 4.846 4.120 -0.000 0.000 0.286 51 V C -0.857 175.248 176.094 0.017 0.000 1.026 51 V CA -0.047 62.201 62.300 -0.086 0.000 0.868 51 V CB 1.006 32.677 31.823 -0.253 0.000 0.982 51 V HN 1.048 nan 8.190 nan 0.000 0.443 52 H N 4.102 123.176 119.070 0.005 0.000 2.960 52 H HA 0.853 5.408 4.556 -0.000 0.000 0.323 52 H C -0.356 174.877 175.328 -0.158 0.000 1.326 52 H CA -0.401 55.491 56.048 -0.259 0.000 1.124 52 H CB 1.247 30.841 29.762 -0.280 0.000 1.853 52 H HN 0.826 nan 8.280 nan 0.000 0.536 53 A N 0.946 123.630 122.820 -0.227 0.000 2.462 53 A HA 0.302 4.621 4.320 -0.000 0.000 0.243 53 A C -1.639 176.011 177.584 0.110 0.000 1.076 53 A CA -1.113 50.936 52.037 0.019 0.000 0.773 53 A CB -0.310 18.681 19.000 -0.015 0.000 1.010 53 A HN 0.755 nan 8.150 nan 0.000 0.493 54 P HA -0.139 nan 4.420 nan 0.000 0.219 54 P C 1.395 178.743 177.300 0.081 0.000 1.146 54 P CA 1.866 65.013 63.100 0.079 0.000 0.808 54 P CB 0.141 31.870 31.700 0.049 0.000 0.779 55 S N -1.914 113.821 115.700 0.058 0.000 2.603 55 S HA 0.095 4.565 4.470 -0.000 0.000 0.220 55 S C 0.744 175.343 174.600 -0.003 0.000 0.967 55 S CA -0.086 58.132 58.200 0.030 0.000 0.920 55 S CB -1.194 62.024 63.200 0.031 0.000 0.773 55 S HN 0.056 nan 8.310 nan 0.000 0.529 56 V N -2.036 117.870 119.914 -0.013 0.000 2.864 56 V HA 0.948 5.068 4.120 -0.000 0.000 0.314 56 V C -0.273 175.726 176.094 -0.159 0.000 1.073 56 V CA -1.126 61.115 62.300 -0.098 0.000 0.956 56 V CB 1.200 32.914 31.823 -0.181 0.000 1.023 56 V HN 0.317 nan 8.190 nan 0.000 0.435 57 A N 3.532 126.237 122.820 -0.193 0.000 2.301 57 A HA 0.794 5.114 4.320 -0.000 0.000 0.298 57 A C -1.609 175.769 177.584 -0.343 0.000 1.185 57 A CA -1.670 50.227 52.037 -0.233 0.000 0.830 57 A CB 0.842 19.758 19.000 -0.140 0.000 1.112 57 A HN 0.813 nan 8.150 nan 0.000 0.508 58 P HA -0.112 nan 4.420 nan 0.000 0.225 58 P C 0.672 177.836 177.300 -0.225 0.000 1.148 58 P CA 0.829 63.669 63.100 -0.433 0.000 0.779 58 P CB 0.193 31.644 31.700 -0.416 0.000 0.780 59 D N 0.322 120.616 120.400 -0.177 0.000 2.192 59 D HA -0.235 4.405 4.640 -0.000 0.000 0.189 59 D C 1.755 177.988 176.300 -0.111 0.000 1.007 59 D CA 1.357 55.284 54.000 -0.120 0.000 0.859 59 D CB -0.406 40.334 40.800 -0.100 0.000 0.936 59 D HN 0.283 nan 8.370 nan 0.000 0.447 60 R N 0.424 120.850 120.500 -0.124 0.000 2.293 60 R HA 0.018 4.358 4.340 -0.000 0.000 0.219 60 R C 1.879 178.114 176.300 -0.109 0.000 1.091 60 R CA 0.691 56.725 56.100 -0.111 0.000 1.004 60 R CB -0.042 30.187 30.300 -0.119 0.000 0.865 60 R HN 0.101 nan 8.270 nan 0.000 0.469 61 A N 0.533 123.283 122.820 -0.117 0.000 2.275 61 A HA 0.166 4.486 4.320 -0.000 0.000 0.212 61 A C 0.426 177.964 177.584 -0.076 0.000 1.201 61 A CA 0.105 52.087 52.037 -0.091 0.000 0.843 61 A CB 0.680 19.625 19.000 -0.092 0.000 0.873 61 A HN -0.004 nan 8.150 nan 0.000 0.492 62 V N -0.116 119.750 119.914 -0.080 0.000 2.588 62 V HA 0.739 4.859 4.120 -0.000 0.000 0.304 62 V C -0.151 175.904 176.094 -0.064 0.000 1.042 62 V CA -0.304 61.952 62.300 -0.073 0.000 0.877 62 V CB 1.280 33.062 31.823 -0.069 0.000 0.996 62 V HN 0.444 nan 8.190 nan 0.000 0.425 63 A N 5.049 127.835 122.820 -0.057 0.000 2.475 63 A HA 0.974 5.294 4.320 -0.000 0.000 0.301 63 A C -0.660 176.899 177.584 -0.042 0.000 1.059 63 A CA -0.840 51.168 52.037 -0.049 0.000 0.710 63 A CB 1.881 20.852 19.000 -0.048 0.000 1.288 63 A HN 0.829 nan 8.150 nan 0.000 0.408 64 R N 0.144 120.622 120.500 -0.038 0.000 2.837 64 R HA 0.845 5.185 4.340 -0.000 0.000 0.271 64 R C -0.674 175.608 176.300 -0.029 0.000 0.993 64 R CA -0.289 55.792 56.100 -0.032 0.000 0.931 64 R CB 2.357 32.639 30.300 -0.030 0.000 1.206 64 R HN 1.100 nan 8.270 nan 0.000 0.474 65 S N 0.036 115.721 115.700 -0.025 0.000 2.636 65 S HA 0.346 4.816 4.470 -0.000 0.000 0.266 65 S C -0.701 173.887 174.600 -0.020 0.000 1.147 65 S CA -0.920 57.266 58.200 -0.024 0.000 0.815 65 S CB 0.952 64.136 63.200 -0.027 0.000 1.119 65 S HN 0.515 nan 8.310 nan 0.000 0.470 66 L N 0.692 121.904 121.223 -0.020 0.000 2.858 66 L HA 0.307 4.647 4.340 -0.000 0.000 0.251 66 L C 0.172 177.032 176.870 -0.017 0.000 1.149 66 L CA -0.108 54.722 54.840 -0.017 0.000 0.955 66 L CB 0.527 42.576 42.059 -0.016 0.000 1.289 66 L HN 0.760 nan 8.230 nan 0.000 0.542 67 T N 0.808 115.349 114.554 -0.020 0.000 2.793 67 T HA 0.288 4.638 4.350 -0.000 0.000 0.289 67 T C 1.226 175.915 174.700 -0.017 0.000 0.956 67 T CA 1.084 63.171 62.100 -0.022 0.000 1.177 67 T CB 0.847 69.698 68.868 -0.028 0.000 0.897 67 T HN 0.604 nan 8.240 nan 0.000 0.533 68 G N 2.546 111.337 108.800 -0.015 0.000 2.579 68 G HA2 0.031 3.991 3.960 -0.000 0.000 0.222 68 G HA3 0.031 3.991 3.960 -0.000 0.000 0.222 68 G C 0.210 175.105 174.900 -0.008 0.000 1.201 68 G CA -0.099 44.994 45.100 -0.011 0.000 0.710 68 G HN 1.636 nan 8.290 nan 0.000 0.516 69 A N -1.062 121.753 122.820 -0.008 0.000 2.452 69 A HA 0.669 4.989 4.320 -0.000 0.000 0.294 69 A C -3.296 174.283 177.584 -0.009 0.000 1.010 69 A CA 0.048 52.081 52.037 -0.007 0.000 0.613 69 A CB -0.037 18.961 19.000 -0.004 0.000 1.363 69 A HN 0.414 nan 8.150 nan 0.000 0.463 70 P HA 0.302 nan 4.420 nan 0.000 0.262 70 P C -0.538 176.756 177.300 -0.011 0.000 1.199 70 P CA 0.954 64.047 63.100 -0.011 0.000 0.763 70 P CB 0.499 32.193 31.700 -0.010 0.000 0.790 71 T N 2.699 117.245 114.554 -0.013 0.000 2.861 71 T HA 0.569 4.919 4.350 -0.000 0.000 0.287 71 T C -0.472 174.217 174.700 -0.019 0.000 1.003 71 T CA -0.443 61.650 62.100 -0.013 0.000 0.977 71 T CB 1.356 70.218 68.868 -0.010 0.000 0.996 71 T HN 0.104 nan 8.240 nan 0.000 0.448 72 T N 2.110 116.651 114.554 -0.021 0.000 2.921 72 T HA 0.741 5.091 4.350 -0.000 0.000 0.297 72 T C -0.930 173.747 174.700 -0.039 0.000 1.013 72 T CA -0.630 61.450 62.100 -0.033 0.000 0.990 72 T CB 1.563 70.408 68.868 -0.039 0.000 1.023 72 T HN 0.803 nan 8.240 nan 0.000 0.447 73 A N 2.575 125.367 122.820 -0.046 0.000 2.371 73 A HA 0.856 5.176 4.320 -0.000 0.000 0.311 73 A C -0.918 176.611 177.584 -0.091 0.000 1.068 73 A CA -0.642 51.366 52.037 -0.049 0.000 0.744 73 A CB 1.248 20.239 19.000 -0.014 0.000 1.239 73 A HN 0.663 nan 8.150 nan 0.000 0.435 74 V N 2.850 122.670 119.914 -0.157 0.000 2.540 74 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 74 V C -0.588 175.411 176.094 -0.159 0.000 1.035 74 V CA -0.426 61.736 62.300 -0.230 0.000 0.873 74 V CB 1.526 33.064 31.823 -0.476 0.000 0.992 74 V HN 0.841 nan 8.190 nan 0.000 0.428 75 L N 4.194 125.412 121.223 -0.009 0.000 2.409 75 L HA 0.929 5.268 4.340 -0.000 0.000 0.272 75 L C -0.134 176.869 176.870 0.222 0.000 0.980 75 L CA -0.354 54.580 54.840 0.156 0.000 0.826 75 L CB 1.733 43.846 42.059 0.089 0.000 1.268 75 L HN 0.744 nan 8.230 nan 0.000 0.407 76 A N 3.628 126.673 122.820 0.375 0.000 2.292 76 A HA 0.893 5.213 4.320 -0.000 0.000 0.319 76 A C 0.391 178.098 177.584 0.205 0.000 1.206 76 A CA 0.396 52.581 52.037 0.247 0.000 0.835 76 A CB 0.909 20.021 19.000 0.187 0.000 1.164 76 A HN 1.410 nan 8.150 nan 0.000 0.505 77 G N 1.478 110.316 108.800 0.065 0.000 2.451 77 G HA2 0.170 4.129 3.960 -0.000 0.000 0.208 77 G HA3 0.170 4.129 3.960 -0.000 0.000 0.208 77 G C -0.507 174.348 174.900 -0.075 0.000 1.248 77 G CA 0.092 45.224 45.100 0.054 0.000 0.989 77 G HN 1.699 nan 8.290 nan 0.000 0.559 78 E N -1.469 118.733 120.200 0.003 0.000 2.445 78 E HA 0.713 5.062 4.350 -0.000 0.000 0.279 78 E C -1.207 175.224 176.600 -0.282 0.000 1.018 78 E CA -1.187 55.111 56.400 -0.170 0.000 0.816 78 E CB 1.968 31.523 29.700 -0.241 0.000 1.356 78 E HN 0.690 nan 8.360 nan 0.000 0.462 79 I N 1.516 121.882 120.570 -0.340 0.000 2.441 79 I HA 0.229 4.399 4.170 -0.000 0.000 0.295 79 I C -0.418 175.503 176.117 -0.326 0.000 0.994 79 I CA -0.700 60.408 61.300 -0.320 0.000 1.144 79 I CB 0.970 38.835 38.000 -0.225 0.000 1.314 79 I HN 0.587 nan 8.210 nan 0.000 0.445 80 Y N 2.538 122.887 120.300 0.081 0.000 2.441 80 Y HA -0.007 4.543 4.550 -0.000 0.000 0.288 80 Y C 1.659 177.578 175.900 0.032 0.000 1.118 80 Y CA -0.010 58.128 58.100 0.064 0.000 1.215 80 Y CB -0.164 38.347 38.460 0.085 0.000 1.118 80 Y HN 0.566 nan 8.280 nan 0.000 0.547 81 N N 1.750 120.545 118.700 0.160 0.000 3.091 81 N HA 0.034 4.774 4.740 -0.000 0.000 0.301 81 N C 0.651 176.183 175.510 0.037 0.000 1.325 81 N CA -0.022 53.079 53.050 0.085 0.000 1.143 81 N CB -0.242 38.282 38.487 0.063 0.000 1.450 81 N HN 0.302 nan 8.380 nan 0.000 0.542 82 R N 0.165 120.684 120.500 0.031 0.000 2.073 82 R HA -0.085 4.254 4.340 -0.000 0.000 0.234 82 R C 0.765 177.066 176.300 0.002 0.000 1.134 82 R CA 1.556 57.656 56.100 -0.000 0.000 0.952 82 R CB -0.018 30.279 30.300 -0.005 0.000 0.850 82 R HN 0.313 nan 8.270 nan 0.000 0.433 83 D N 0.560 120.967 120.400 0.013 0.000 2.117 83 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 83 D C 1.805 178.110 176.300 0.009 0.000 0.987 83 D CA 1.237 55.242 54.000 0.009 0.000 0.829 83 D CB -0.095 40.713 40.800 0.013 0.000 0.961 83 D HN 0.172 nan 8.370 nan 0.000 0.460 84 E N 0.651 120.858 120.200 0.011 0.000 2.058 84 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 84 E C 2.377 178.980 176.600 0.006 0.000 0.997 84 E CA 0.461 56.866 56.400 0.009 0.000 0.801 84 E CB -0.428 29.278 29.700 0.009 0.000 0.746 84 E HN 0.292 nan 8.360 nan 0.000 0.450 85 L N -0.038 121.184 121.223 -0.001 0.000 2.083 85 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 85 L C 2.298 179.173 176.870 0.008 0.000 1.083 85 L CA 0.808 55.646 54.840 -0.004 0.000 0.752 85 L CB -0.414 41.628 42.059 -0.028 0.000 0.899 85 L HN 0.151 nan 8.230 nan 0.000 0.433 86 L N -0.338 120.885 121.223 0.000 0.000 2.141 86 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 86 L C 2.802 179.677 176.870 0.009 0.000 1.094 86 L CA 1.297 56.137 54.840 -0.000 0.000 0.763 86 L CB -0.550 41.505 42.059 -0.006 0.000 0.908 86 L HN 0.389 nan 8.230 nan 0.000 0.437 87 S N -0.287 115.421 115.700 0.013 0.000 2.474 87 S HA -0.091 4.379 4.470 -0.000 0.000 0.235 87 S C 1.568 176.186 174.600 0.030 0.000 0.997 87 S CA 0.903 59.113 58.200 0.017 0.000 0.949 87 S CB -0.444 62.766 63.200 0.015 0.000 0.766 87 S HN 0.354 nan 8.310 nan 0.000 0.517 88 V N -1.517 118.427 119.914 0.050 0.000 3.621 88 V HA 0.505 4.625 4.120 -0.000 0.000 0.285 88 V C 0.247 176.385 176.094 0.073 0.000 1.346 88 V CA -0.478 61.876 62.300 0.090 0.000 1.104 88 V CB -0.764 31.163 31.823 0.173 0.000 0.913 88 V HN 0.386 nan 8.190 nan 0.000 0.432 89 L N 2.552 123.796 121.223 0.035 0.000 2.343 89 L HA 0.564 4.904 4.340 -0.000 0.000 0.275 89 L C -1.451 175.410 176.870 -0.014 0.000 1.056 89 L CA -1.711 53.130 54.840 0.001 0.000 0.804 89 L CB 1.323 43.379 42.059 -0.005 0.000 1.203 89 L HN 0.151 nan 8.230 nan 0.000 0.440 90 P HA 0.445 nan 4.420 nan 0.000 0.302 90 P C -0.061 177.223 177.300 -0.026 0.000 1.307 90 P CA 0.091 63.172 63.100 -0.031 0.000 0.754 90 P CB 0.902 32.575 31.700 -0.044 0.000 1.298 91 A N -0.768 122.037 122.820 -0.025 0.000 5.700 91 A HA -0.085 4.235 4.320 -0.000 0.000 0.288 91 A C 1.108 178.681 177.584 -0.018 0.000 2.009 91 A CA 1.697 53.721 52.037 -0.022 0.000 0.716 91 A CB -2.249 16.736 19.000 -0.025 0.000 1.208 91 A HN 0.899 nan 8.150 nan 0.000 0.371 92 G N -2.183 106.606 108.800 -0.018 0.000 2.472 92 G HA2 0.449 4.409 3.960 -0.000 0.000 0.212 92 G HA3 0.449 4.409 3.960 -0.000 0.000 0.212 92 G C -1.613 173.277 174.900 -0.018 0.000 1.484 92 G CA 0.839 45.929 45.100 -0.016 0.000 0.542 92 G HN 1.230 nan 8.290 nan 0.000 1.118 93 P HA 0.404 nan 4.420 nan 0.000 0.254 93 P C 0.095 177.380 177.300 -0.024 0.000 1.186 93 P CA 0.343 63.431 63.100 -0.021 0.000 0.868 93 P CB 0.746 32.433 31.700 -0.022 0.000 0.856 94 A N 6.436 129.241 122.820 -0.024 0.000 2.386 94 A HA 0.464 4.784 4.320 -0.000 0.000 0.248 94 A C -1.850 175.715 177.584 -0.032 0.000 1.082 94 A CA -1.174 50.847 52.037 -0.026 0.000 0.789 94 A CB -0.920 18.066 19.000 -0.024 0.000 1.025 94 A HN 0.394 nan 8.150 nan 0.000 0.490 95 P HA 0.087 nan 4.420 nan 0.000 0.269 95 P C 0.575 177.848 177.300 -0.045 0.000 1.215 95 P CA 0.060 63.134 63.100 -0.043 0.000 0.780 95 P CB 0.503 32.172 31.700 -0.050 0.000 0.898 96 E N 0.922 121.093 120.200 -0.048 0.000 2.299 96 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 96 E C 0.739 177.303 176.600 -0.060 0.000 0.998 96 E CA 0.260 56.629 56.400 -0.051 0.000 0.851 96 E CB 0.006 29.676 29.700 -0.050 0.000 0.795 96 E HN 0.481 nan 8.360 nan 0.000 0.492 97 G N -0.160 108.600 108.800 -0.067 0.000 2.663 97 G HA2 0.114 4.074 3.960 -0.000 0.000 0.299 97 G HA3 0.114 4.074 3.960 -0.000 0.000 0.299 97 G C -0.756 174.093 174.900 -0.085 0.000 1.372 97 G CA -0.217 44.836 45.100 -0.079 0.000 0.781 97 G HN -0.086 nan 8.290 nan 0.000 0.491 98 D N -0.111 120.229 120.400 -0.100 0.000 2.183 98 D HA -0.017 4.623 4.640 -0.000 0.000 0.203 98 D C 2.593 178.829 176.300 -0.105 0.000 0.969 98 D CA 1.343 55.274 54.000 -0.116 0.000 0.842 98 D CB -0.057 40.658 40.800 -0.141 0.000 0.957 98 D HN 0.407 nan 8.370 nan 0.000 0.484 99 A N 0.916 123.686 122.820 -0.083 0.000 1.902 99 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 99 A C 2.116 179.662 177.584 -0.062 0.000 1.181 99 A CA 1.515 53.515 52.037 -0.062 0.000 0.623 99 A CB -0.481 18.485 19.000 -0.058 0.000 0.818 99 A HN 0.206 nan 8.150 nan 0.000 0.443 100 E N -0.765 119.396 120.200 -0.066 0.000 2.107 100 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 100 E C 1.882 178.443 176.600 -0.065 0.000 0.982 100 E CA 0.970 57.334 56.400 -0.060 0.000 0.809 100 E CB -0.128 29.538 29.700 -0.056 0.000 0.756 100 E HN 0.450 nan 8.360 nan 0.000 0.459 101 L N 0.422 121.599 121.223 -0.076 0.000 2.046 101 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 101 L C 2.180 178.990 176.870 -0.100 0.000 1.077 101 L CA 1.375 56.166 54.840 -0.082 0.000 0.747 101 L CB -0.536 41.468 42.059 -0.092 0.000 0.896 101 L HN 0.007 nan 8.230 nan 0.000 0.432 102 V N -0.681 119.162 119.914 -0.119 0.000 2.295 102 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 102 V C 2.563 178.584 176.094 -0.123 0.000 1.049 102 V CA 1.743 63.951 62.300 -0.153 0.000 1.024 102 V CB -0.593 31.174 31.823 -0.094 0.000 0.648 102 V HN 0.405 nan 8.190 nan 0.000 0.447 103 L N -0.197 120.982 121.223 -0.074 0.000 2.042 103 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 103 L C 2.660 179.493 176.870 -0.062 0.000 1.076 103 L CA 1.898 56.705 54.840 -0.056 0.000 0.749 103 L CB -0.783 41.251 42.059 -0.043 0.000 0.893 103 L HN 0.214 nan 8.230 nan 0.000 0.432 104 R N -0.710 119.753 120.500 -0.062 0.000 2.081 104 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 104 R C 2.241 178.508 176.300 -0.055 0.000 1.131 104 R CA 1.300 57.367 56.100 -0.056 0.000 0.960 104 R CB -0.948 29.323 30.300 -0.048 0.000 0.856 104 R HN 0.386 nan 8.270 nan 0.000 0.436 105 L N 0.457 121.650 121.223 -0.050 0.000 2.093 105 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 105 L C 2.460 179.327 176.870 -0.005 0.000 1.085 105 L CA 0.895 55.743 54.840 0.013 0.000 0.755 105 L CB -0.432 41.604 42.059 -0.038 0.000 0.904 105 L HN 0.097 nan 8.230 nan 0.000 0.435 106 L N -0.488 120.683 121.223 -0.088 0.000 2.131 106 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 106 L C 2.414 179.255 176.870 -0.049 0.000 1.092 106 L CA 1.198 55.993 54.840 -0.074 0.000 0.759 106 L CB -0.416 41.602 42.059 -0.069 0.000 0.903 106 L HN 0.295 nan 8.230 nan 0.000 0.435 107 E N -0.472 119.690 120.200 -0.064 0.000 2.204 107 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 107 E C 2.201 178.730 176.600 -0.118 0.000 0.989 107 E CA 0.723 57.080 56.400 -0.073 0.000 0.824 107 E CB 0.072 29.730 29.700 -0.069 0.000 0.756 107 E HN 0.345 nan 8.360 nan 0.000 0.477 108 R N -0.566 119.820 120.500 -0.190 0.000 2.123 108 R HA -0.005 4.335 4.340 -0.000 0.000 0.209 108 R C 0.902 176.907 176.300 -0.492 0.000 1.078 108 R CA 0.707 56.565 56.100 -0.403 0.000 1.028 108 R CB 0.320 30.247 30.300 -0.622 0.000 0.939 108 R HN 0.148 nan 8.270 nan 0.000 0.463 109 Y N 0.164 120.453 120.300 -0.018 0.000 2.481 109 Y HA 0.260 4.810 4.550 -0.000 0.000 0.247 109 Y C 0.235 176.174 175.900 0.064 0.000 1.151 109 Y CA -0.098 58.020 58.100 0.030 0.000 1.238 109 Y CB 0.304 38.777 38.460 0.022 0.000 1.179 109 Y HN 0.169 nan 8.280 nan 0.000 0.524 110 D N -0.139 120.322 120.400 0.101 0.000 3.307 110 D HA -0.315 4.325 4.640 -0.000 0.000 0.197 110 D C 1.141 177.448 176.300 0.011 0.000 1.363 110 D CA 1.864 55.891 54.000 0.045 0.000 1.100 110 D CB -0.669 40.159 40.800 0.047 0.000 0.616 110 D HN 0.107 nan 8.370 nan 0.000 0.719 111 L N -1.270 119.917 121.223 -0.059 0.000 2.261 111 L HA 0.081 4.421 4.340 -0.000 0.000 0.216 111 L C 2.009 178.859 176.870 -0.033 0.000 1.114 111 L CA 2.047 56.877 54.840 -0.018 0.000 0.777 111 L CB -1.079 40.908 42.059 -0.118 0.000 0.910 111 L HN 0.488 nan 8.230 nan 0.000 0.440 112 H N 0.246 119.360 119.070 0.073 0.000 2.567 112 H HA 0.199 4.755 4.556 -0.000 0.000 0.276 112 H C 2.261 177.582 175.328 -0.011 0.000 1.016 112 H CA 0.602 56.685 56.048 0.060 0.000 1.186 112 H CB -0.044 29.753 29.762 0.058 0.000 1.351 112 H HN 0.577 nan 8.280 nan 0.000 0.605 113 A N 0.573 123.391 122.820 -0.003 0.000 1.940 113 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 113 A C 1.459 178.892 177.584 -0.252 0.000 1.176 113 A CA 1.237 53.158 52.037 -0.194 0.000 0.631 113 A CB -0.713 18.065 19.000 -0.370 0.000 0.814 113 A HN 0.343 nan 8.150 nan 0.000 0.446 114 F N -0.034 119.972 119.950 0.094 0.000 2.451 114 F HA -0.028 4.499 4.527 -0.000 0.000 0.299 114 F C 2.310 178.209 175.800 0.164 0.000 1.101 114 F CA 0.969 59.060 58.000 0.151 0.000 1.436 114 F CB -0.272 38.849 39.000 0.201 0.000 1.074 114 F HN 0.153 nan 8.300 nan 0.000 0.553 115 R N -0.199 120.447 120.500 0.243 0.000 2.236 115 R HA 0.021 4.361 4.340 -0.000 0.000 0.208 115 R C 1.598 177.972 176.300 0.122 0.000 1.036 115 R CA 0.699 56.924 56.100 0.208 0.000 1.001 115 R CB -0.234 30.165 30.300 0.165 0.000 0.896 115 R HN 0.347 nan 8.270 nan 0.000 0.464 116 L N 0.192 121.435 121.223 0.032 0.000 2.513 116 L HA 0.118 4.458 4.340 -0.000 0.000 0.222 116 L C 0.200 177.082 176.870 0.020 0.000 1.096 116 L CA -0.080 54.741 54.840 -0.031 0.000 0.857 116 L CB 0.567 42.519 42.059 -0.178 0.000 1.026 116 L HN -0.131 nan 8.230 nan 0.000 0.469 117 V N 1.231 121.198 119.914 0.088 0.000 2.455 117 V HA 0.027 4.147 4.120 -0.000 0.000 0.273 117 V C 0.110 176.328 176.094 0.208 0.000 1.045 117 V CA -0.227 62.142 62.300 0.115 0.000 0.976 117 V CB 0.878 32.762 31.823 0.102 0.000 0.993 117 V HN 0.302 nan 8.190 nan 0.000 0.475 118 N N 3.941 122.732 118.700 0.153 0.000 2.546 118 N HA 0.598 5.338 4.740 -0.000 0.000 0.238 118 N C -0.058 175.642 175.510 0.316 0.000 0.984 118 N CA 0.001 53.160 53.050 0.183 0.000 0.935 118 N CB 1.063 39.609 38.487 0.098 0.000 1.122 118 N HN 0.848 nan 8.380 nan 0.000 0.510 119 G N 1.765 110.854 108.800 0.481 0.000 2.731 119 G HA2 0.360 4.320 3.960 -0.000 0.000 0.309 119 G HA3 0.360 4.320 3.960 -0.000 0.000 0.309 119 G C -1.525 173.686 174.900 0.517 0.000 1.273 119 G CA -0.737 44.614 45.100 0.418 0.000 0.798 119 G HN 0.488 nan 8.290 nan 0.000 0.509 120 R N -0.095 120.641 120.500 0.394 0.000 2.607 120 R HA 0.570 4.910 4.340 -0.000 0.000 0.278 120 R C -1.347 175.191 176.300 0.395 0.000 1.637 120 R CA -0.585 55.732 56.100 0.361 0.000 1.325 120 R CB 0.083 30.671 30.300 0.480 0.000 1.211 120 R HN 0.615 nan 8.270 nan 0.000 0.565 121 F N 0.370 120.401 119.950 0.134 0.000 2.745 121 F HA 0.911 5.438 4.527 -0.000 0.000 0.316 121 F C -1.878 173.979 175.800 0.096 0.000 1.155 121 F CA -1.232 56.841 58.000 0.122 0.000 0.937 121 F CB 1.246 40.305 39.000 0.098 0.000 1.361 121 F HN 0.228 nan 8.300 nan 0.000 0.472 122 A N 0.846 123.807 122.820 0.235 0.000 2.488 122 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 122 A C -1.161 176.702 177.584 0.465 0.000 1.044 122 A CA -0.311 51.811 52.037 0.142 0.000 0.693 122 A CB 1.591 20.589 19.000 -0.003 0.000 1.272 122 A HN 1.266 nan 8.150 nan 0.000 0.402 123 T N 0.083 114.888 114.554 0.419 0.000 2.894 123 T HA 0.620 4.969 4.350 -0.000 0.000 0.309 123 T C -1.916 172.907 174.700 0.205 0.000 1.208 123 T CA -0.204 62.115 62.100 0.364 0.000 1.016 123 T CB 1.529 70.605 68.868 0.347 0.000 1.192 123 T HN 1.915 nan 8.240 nan 0.000 0.491 124 V N 4.367 124.283 119.914 0.003 0.000 2.638 124 V HA 0.876 4.996 4.120 -0.000 0.000 0.306 124 V C -1.430 174.635 176.094 -0.048 0.000 1.052 124 V CA -0.297 61.982 62.300 -0.036 0.000 0.885 124 V CB 1.653 33.391 31.823 -0.142 0.000 0.999 124 V HN 0.841 nan 8.190 nan 0.000 0.424 125 V N 6.946 126.871 119.914 0.018 0.000 2.709 125 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 125 V C -0.303 175.802 176.094 0.019 0.000 1.062 125 V CA -0.789 61.527 62.300 0.027 0.000 0.901 125 V CB 2.040 33.919 31.823 0.094 0.000 1.003 125 V HN 0.951 nan 8.190 nan 0.000 0.425 126 R N 1.877 122.378 120.500 0.000 0.000 2.480 126 R HA 0.676 5.016 4.340 -0.000 0.000 0.306 126 R C -0.979 175.323 176.300 0.004 0.000 0.958 126 R CA -0.182 55.919 56.100 0.001 0.000 0.861 126 R CB 1.750 32.043 30.300 -0.012 0.000 1.171 126 R HN 0.769 nan 8.270 nan 0.000 0.445 127 T N 3.389 117.949 114.554 0.010 0.000 2.930 127 T HA 0.508 4.858 4.350 -0.000 0.000 0.313 127 T C 0.376 175.080 174.700 0.006 0.000 1.019 127 T CA 0.700 62.805 62.100 0.007 0.000 1.004 127 T CB 0.758 69.633 68.868 0.013 0.000 0.987 127 T HN 0.969 nan 8.240 nan 0.000 0.456 128 G N 4.877 113.677 108.800 0.000 0.000 2.556 128 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.283 128 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.283 128 G C 0.045 174.945 174.900 0.000 0.000 1.177 128 G CA 0.380 45.480 45.100 -0.000 0.000 0.978 128 G HN 0.651 nan 8.290 nan 0.000 0.554 129 D N 1.349 121.750 120.400 0.002 0.000 2.491 129 D HA 0.237 4.877 4.640 -0.000 0.000 0.228 129 D C 1.021 177.324 176.300 0.006 0.000 1.183 129 D CA 0.089 54.089 54.000 0.000 0.000 0.827 129 D CB 0.211 41.010 40.800 -0.002 0.000 0.989 129 D HN 0.473 nan 8.370 nan 0.000 0.494 130 R N 0.535 121.041 120.500 0.011 0.000 2.514 130 R HA 0.533 4.873 4.340 -0.000 0.000 0.301 130 R C -1.322 174.992 176.300 0.023 0.000 0.962 130 R CA -0.493 55.620 56.100 0.020 0.000 0.882 130 R CB 1.509 31.825 30.300 0.026 0.000 1.143 130 R HN -0.238 nan 8.270 nan 0.000 0.452 131 V N 6.044 125.975 119.914 0.029 0.000 2.588 131 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 131 V C -0.476 175.646 176.094 0.047 0.000 1.042 131 V CA -0.801 61.518 62.300 0.032 0.000 0.877 131 V CB 1.902 33.738 31.823 0.023 0.000 0.996 131 V HN 0.667 nan 8.190 nan 0.000 0.425 132 L N 5.559 126.817 121.223 0.059 0.000 2.341 132 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 132 L C -0.962 175.932 176.870 0.040 0.000 1.005 132 L CA -0.530 54.353 54.840 0.071 0.000 0.818 132 L CB 1.882 44.023 42.059 0.138 0.000 1.259 132 L HN 0.404 nan 8.230 nan 0.000 0.418 133 L N 3.356 124.581 121.223 0.005 0.000 2.349 133 L HA 0.817 5.157 4.340 -0.000 0.000 0.278 133 L C -0.316 176.480 176.870 -0.125 0.000 0.996 133 L CA -0.419 54.414 54.840 -0.011 0.000 0.825 133 L CB 1.816 43.890 42.059 0.026 0.000 1.243 133 L HN 0.689 nan 8.230 nan 0.000 0.412 134 A N 1.864 124.559 122.820 -0.207 0.000 2.414 134 A HA 0.889 5.209 4.320 -0.000 0.000 0.306 134 A C -0.267 177.164 177.584 -0.255 0.000 1.054 134 A CA -0.493 51.302 52.037 -0.402 0.000 0.724 134 A CB 1.875 20.112 19.000 -1.272 0.000 1.267 134 A HN 0.639 nan 8.150 nan 0.000 0.418 135 T N -0.911 113.467 114.554 -0.292 0.000 2.940 135 T HA 0.671 5.021 4.350 -0.000 0.000 0.288 135 T C -0.191 174.135 174.700 -0.624 0.000 1.045 135 T CA -0.337 61.512 62.100 -0.419 0.000 1.018 135 T CB 1.119 69.837 68.868 -0.250 0.000 1.151 135 T HN 0.753 nan 8.240 nan 0.000 0.529 136 D N -0.810 119.056 120.400 -0.890 0.000 2.398 136 D HA 0.077 4.717 4.640 -0.000 0.000 0.247 136 D C 1.625 177.800 176.300 -0.209 0.000 1.227 136 D CA -0.497 53.118 54.000 -0.641 0.000 0.980 136 D CB 0.184 40.673 40.800 -0.518 0.000 1.106 136 D HN 0.787 nan 8.370 nan 0.000 0.493 137 H N -0.983 118.030 119.070 -0.095 0.000 2.426 137 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 137 H C 1.056 176.338 175.328 -0.076 0.000 1.107 137 H CA 1.694 57.640 56.048 -0.169 0.000 1.298 137 H CB -0.453 28.853 29.762 -0.759 0.000 1.377 137 H HN 0.458 nan 8.280 nan 0.000 0.519 138 A N 0.267 122.634 122.820 -0.755 0.000 2.430 138 A HA 0.441 4.761 4.320 -0.000 0.000 0.243 138 A C 1.864 179.478 177.584 0.051 0.000 1.254 138 A CA 0.443 52.368 52.037 -0.187 0.000 0.914 138 A CB -0.281 18.536 19.000 -0.305 0.000 0.998 138 A HN 0.705 nan 8.150 nan 0.000 0.515 139 G N 0.947 109.687 108.800 -0.100 0.000 2.341 139 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.292 139 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.292 139 G C 1.077 175.915 174.900 -0.104 0.000 1.021 139 G CA 1.214 46.251 45.100 -0.104 0.000 0.905 139 G HN 1.414 nan 8.290 nan 0.000 0.508 140 S N -2.310 113.309 115.700 -0.135 0.000 2.442 140 S HA 0.142 4.612 4.470 -0.000 0.000 0.236 140 S C 0.939 175.488 174.600 -0.085 0.000 1.007 140 S CA 1.230 59.375 58.200 -0.092 0.000 0.965 140 S CB 0.357 63.536 63.200 -0.036 0.000 0.773 140 S HN 0.929 nan 8.310 nan 0.000 0.504 141 V N 3.730 123.581 119.914 -0.104 0.000 2.293 141 V HA 0.419 4.539 4.120 -0.000 0.000 0.275 141 V C -2.521 173.492 176.094 -0.135 0.000 1.021 141 V CA -2.139 60.114 62.300 -0.079 0.000 0.815 141 V CB 0.841 32.655 31.823 -0.015 0.000 1.025 141 V HN 0.161 nan 8.190 nan 0.000 0.448 142 P HA 0.164 nan 4.420 nan 0.000 0.266 142 P C -0.842 176.296 177.300 -0.271 0.000 1.193 142 P CA -0.009 62.959 63.100 -0.220 0.000 0.770 142 P CB 0.568 32.216 31.700 -0.087 0.000 0.836 143 L N 4.385 125.334 121.223 -0.458 0.000 2.470 143 L HA 0.510 4.850 4.340 -0.000 0.000 0.268 143 L C -1.705 174.895 176.870 -0.449 0.000 0.964 143 L CA -0.602 54.057 54.840 -0.300 0.000 0.839 143 L CB 1.044 43.011 42.059 -0.154 0.000 1.276 143 L HN 0.256 nan 8.230 nan 0.000 0.403 144 Y N 2.058 122.373 120.300 0.025 0.000 2.598 144 Y HA 0.876 5.426 4.550 -0.000 0.000 0.340 144 Y C 0.378 176.346 175.900 0.114 0.000 1.038 144 Y CA -0.671 57.473 58.100 0.074 0.000 1.100 144 Y CB 2.447 40.948 38.460 0.069 0.000 1.281 144 Y HN 0.636 nan 8.280 nan 0.000 0.488 145 T N -0.084 114.654 114.554 0.306 0.000 2.802 145 T HA 0.598 4.948 4.350 -0.000 0.000 0.311 145 T C -2.064 172.779 174.700 0.239 0.000 1.405 145 T CA -0.451 61.789 62.100 0.232 0.000 1.016 145 T CB 0.655 69.619 68.868 0.160 0.000 1.352 145 T HN 0.732 nan 8.240 nan 0.000 0.498 146 C N 3.050 122.457 119.300 0.177 0.000 2.397 146 C HA 0.798 5.258 4.460 -0.000 0.000 0.325 146 C C -0.549 174.493 174.990 0.087 0.000 1.201 146 C CA -0.659 58.454 59.018 0.159 0.000 1.377 146 C CB 0.488 28.312 27.740 0.140 0.000 2.038 146 C HN 0.743 nan 8.230 nan 0.000 0.457 147 V N 3.155 123.107 119.914 0.063 0.000 2.540 147 V HA 0.945 5.065 4.120 -0.000 0.000 0.302 147 V C 0.106 176.195 176.094 -0.009 0.000 1.035 147 V CA -0.067 62.242 62.300 0.015 0.000 0.873 147 V CB 1.647 33.470 31.823 -0.000 0.000 0.992 147 V HN 1.091 nan 8.190 nan 0.000 0.428 148 A N 5.736 128.497 122.820 -0.099 0.000 2.594 148 A HA 0.900 5.220 4.320 -0.000 0.000 0.295 148 A C -3.197 174.196 177.584 -0.318 0.000 1.071 148 A CA -1.746 50.133 52.037 -0.263 0.000 0.685 148 A CB 1.992 20.892 19.000 -0.167 0.000 1.285 148 A HN 0.587 nan 8.150 nan 0.000 0.405 149 P HA 0.217 nan 4.420 nan 0.000 0.258 149 P C 1.064 178.252 177.300 -0.187 0.000 1.172 149 P CA 2.544 65.439 63.100 -0.340 0.000 0.762 149 P CB 0.331 31.798 31.700 -0.388 0.000 0.764 150 G N 2.424 111.150 108.800 -0.124 0.000 2.162 150 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 150 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 150 G C -0.281 174.577 174.900 -0.071 0.000 0.976 150 G CA 0.235 45.287 45.100 -0.081 0.000 0.655 150 G HN 0.662 nan 8.290 nan 0.000 0.533 151 E N -1.311 118.840 120.200 -0.081 0.000 2.307 151 E HA 0.600 4.950 4.350 -0.000 0.000 0.280 151 E C -1.241 175.331 176.600 -0.047 0.000 0.900 151 E CA -1.119 55.245 56.400 -0.061 0.000 0.790 151 E CB 2.461 32.120 29.700 -0.068 0.000 1.261 151 E HN 0.345 nan 8.360 nan 0.000 0.405 152 V N 3.098 122.996 119.914 -0.026 0.000 2.525 152 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 152 V C -0.376 175.727 176.094 0.016 0.000 1.034 152 V CA -0.702 61.598 62.300 0.000 0.000 0.863 152 V CB 1.669 33.498 31.823 0.009 0.000 0.999 152 V HN 0.620 nan 8.190 nan 0.000 0.423 153 R N 2.922 123.445 120.500 0.039 0.000 2.562 153 R HA 0.894 5.234 4.340 -0.000 0.000 0.298 153 R C -0.655 175.730 176.300 0.141 0.000 0.961 153 R CA -0.548 55.593 56.100 0.068 0.000 0.881 153 R CB 2.464 32.778 30.300 0.023 0.000 1.159 153 R HN 0.794 nan 8.270 nan 0.000 0.450 154 A N 1.185 124.126 122.820 0.200 0.000 2.475 154 A HA 0.734 5.054 4.320 -0.000 0.000 0.301 154 A C -1.055 176.758 177.584 0.382 0.000 1.059 154 A CA -0.622 51.583 52.037 0.281 0.000 0.710 154 A CB 2.275 21.452 19.000 0.294 0.000 1.288 154 A HN 0.552 nan 8.150 nan 0.000 0.408 155 S N -0.745 115.141 115.700 0.310 0.000 2.547 155 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 155 S C 0.624 175.235 174.600 0.018 0.000 1.150 155 S CA 0.338 58.656 58.200 0.196 0.000 0.850 155 S CB 1.161 64.525 63.200 0.273 0.000 1.118 155 S HN 1.480 nan 8.310 nan 0.000 0.461 156 T N 0.121 114.512 114.554 -0.272 0.000 3.148 156 T HA 0.326 4.676 4.350 -0.000 0.000 0.253 156 T C 0.148 174.874 174.700 0.044 0.000 1.134 156 T CA 0.355 62.313 62.100 -0.237 0.000 1.051 156 T CB -0.322 68.249 68.868 -0.496 0.000 0.959 156 T HN 0.569 nan 8.240 nan 0.000 0.525 157 E N -0.063 120.197 120.200 0.100 0.000 2.260 157 E HA 0.602 4.952 4.350 -0.000 0.000 0.266 157 E C 0.471 176.971 176.600 -0.166 0.000 0.887 157 E CA -0.588 55.811 56.400 -0.002 0.000 0.777 157 E CB 1.936 31.670 29.700 0.058 0.000 1.205 157 E HN 0.116 nan 8.360 nan 0.000 0.414 158 A N 3.833 126.251 122.820 -0.669 0.000 2.019 158 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 158 A C 1.928 179.333 177.584 -0.299 0.000 1.164 158 A CA 1.657 53.290 52.037 -0.673 0.000 0.644 158 A CB -0.445 17.952 19.000 -1.006 0.000 0.805 158 A HN 0.648 nan 8.150 nan 0.000 0.449 159 K N -0.376 119.860 120.400 -0.273 0.000 2.209 159 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 159 K C 1.720 178.216 176.600 -0.174 0.000 1.048 159 K CA 1.311 57.472 56.287 -0.210 0.000 0.940 159 K CB -0.426 31.956 32.500 -0.196 0.000 0.729 159 K HN 0.249 nan 8.250 nan 0.000 0.451 160 A N 1.125 123.863 122.820 -0.137 0.000 2.167 160 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 160 A C 1.889 179.371 177.584 -0.170 0.000 1.151 160 A CA 0.508 52.440 52.037 -0.175 0.000 0.735 160 A CB -0.237 18.711 19.000 -0.087 0.000 0.802 160 A HN 0.310 nan 8.150 nan 0.000 0.467 161 L N -1.972 119.218 121.223 -0.055 0.000 2.556 161 L HA 0.177 4.517 4.340 -0.000 0.000 0.226 161 L C 2.614 179.499 176.870 0.025 0.000 1.089 161 L CA 0.632 55.541 54.840 0.115 0.000 0.864 161 L CB -0.066 42.094 42.059 0.169 0.000 1.067 161 L HN 0.339 nan 8.230 nan 0.000 0.477 162 A N 0.517 123.288 122.820 -0.081 0.000 1.930 162 A HA 0.014 4.333 4.320 -0.000 0.000 0.215 162 A C 2.496 180.027 177.584 -0.089 0.000 1.176 162 A CA 1.311 53.312 52.037 -0.060 0.000 0.632 162 A CB -0.360 18.589 19.000 -0.084 0.000 0.819 162 A HN 0.303 nan 8.150 nan 0.000 0.445 163 A N -0.319 122.379 122.820 -0.203 0.000 1.978 163 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 163 A C 1.347 178.837 177.584 -0.157 0.000 1.170 163 A CA 0.868 52.779 52.037 -0.211 0.000 0.636 163 A CB -0.767 18.055 19.000 -0.297 0.000 0.810 163 A HN 0.627 nan 8.150 nan 0.000 0.448 171 P HA 0.354 nan 4.420 nan 0.000 0.276 171 P C -0.749 176.395 177.300 -0.259 0.000 1.230 171 P CA -0.245 62.843 63.100 -0.021 0.000 0.776 171 P CB 1.566 33.315 31.700 0.081 0.000 0.888 172 L N 2.422 123.191 121.223 -0.758 0.000 2.265 172 L HA 0.460 4.800 4.340 -0.000 0.000 0.288 172 L C 0.907 177.633 176.870 -0.240 0.000 1.058 172 L CA -0.747 53.753 54.840 -0.566 0.000 0.809 172 L CB 1.144 42.717 42.059 -0.811 0.000 1.179 172 L HN 0.468 nan 8.230 nan 0.000 0.429 173 A N 2.181 124.931 122.820 -0.116 0.000 2.322 173 A HA 0.361 4.681 4.320 -0.000 0.000 0.269 173 A C 0.547 178.117 177.584 -0.024 0.000 1.094 173 A CA -0.183 51.832 52.037 -0.037 0.000 0.807 173 A CB 0.348 19.323 19.000 -0.041 0.000 1.047 173 A HN 0.960 nan 8.150 nan 0.000 0.487 174 D N -1.960 118.443 120.400 0.004 0.000 2.792 174 D HA -0.182 4.458 4.640 -0.000 0.000 0.192 174 D C 0.355 176.672 176.300 0.027 0.000 1.007 174 D CA 1.813 55.813 54.000 0.001 0.000 1.020 174 D CB -1.620 39.164 40.800 -0.028 0.000 1.089 174 D HN 1.121 nan 8.370 nan 0.000 0.438 175 A N 0.147 123.014 122.820 0.078 0.000 2.354 175 A HA 0.719 5.039 4.320 -0.000 0.000 0.321 175 A C 0.096 177.821 177.584 0.236 0.000 1.125 175 A CA -0.537 51.589 52.037 0.149 0.000 0.799 175 A CB 1.892 21.004 19.000 0.187 0.000 1.293 175 A HN 0.106 nan 8.150 nan 0.000 0.452 176 R N 0.974 121.571 120.500 0.161 0.000 2.407 176 R HA 0.426 4.766 4.340 -0.000 0.000 0.303 176 R C -0.588 175.665 176.300 -0.077 0.000 0.981 176 R CA -0.544 55.589 56.100 0.054 0.000 0.905 176 R CB 0.769 31.069 30.300 -0.001 0.000 1.099 176 R HN 0.818 nan 8.270 nan 0.000 0.459 177 R N 2.188 122.524 120.500 -0.272 0.000 2.491 177 R HA 0.128 4.468 4.340 -0.000 0.000 0.283 177 R C -0.333 175.841 176.300 -0.210 0.000 1.072 177 R CA -0.401 55.393 56.100 -0.510 0.000 1.048 177 R CB 1.085 31.110 30.300 -0.458 0.000 0.983 177 R HN 0.351 nan 8.270 nan 0.000 0.450 178 V N 3.489 123.319 119.914 -0.139 0.000 2.479 178 V HA 0.060 4.180 4.120 -0.000 0.000 0.281 178 V C 0.738 176.792 176.094 -0.067 0.000 1.031 178 V CA -0.312 61.983 62.300 -0.009 0.000 1.038 178 V CB 0.772 32.642 31.823 0.079 0.000 0.981 178 V HN 0.869 nan 8.190 nan 0.000 0.478 179 A N 4.590 127.341 122.820 -0.116 0.000 2.520 179 A HA 0.516 4.836 4.320 -0.000 0.000 0.245 179 A C 1.540 178.934 177.584 -0.315 0.000 1.072 179 A CA 0.588 52.505 52.037 -0.199 0.000 0.761 179 A CB -0.327 18.533 19.000 -0.232 0.000 1.004 179 A HN 2.066 nan 8.150 nan 0.000 0.499 180 G N 1.005 109.683 108.800 -0.203 0.000 2.217 180 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 180 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 180 G C 0.065 175.043 174.900 0.130 0.000 0.990 180 G CA 0.425 45.460 45.100 -0.107 0.000 0.627 180 G HN 0.836 nan 8.290 nan 0.000 0.522 181 L N 0.434 121.706 121.223 0.083 0.000 2.256 181 L HA 0.853 5.193 4.340 -0.000 0.000 0.261 181 L C 0.337 177.218 176.870 0.019 0.000 1.022 181 L CA -0.473 54.417 54.840 0.084 0.000 0.828 181 L CB 2.397 44.514 42.059 0.096 0.000 1.374 181 L HN 0.326 nan 8.230 nan 0.000 0.436 182 T N -2.850 111.722 114.554 0.030 0.000 2.921 182 T HA 0.574 4.924 4.350 -0.000 0.000 0.297 182 T C 0.417 175.154 174.700 0.061 0.000 1.013 182 T CA -0.031 62.084 62.100 0.025 0.000 0.990 182 T CB 1.694 70.584 68.868 0.036 0.000 1.023 182 T HN 1.033 nan 8.240 nan 0.000 0.447 183 G N 1.434 110.285 108.800 0.085 0.000 2.179 183 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 183 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 183 G C -0.036 175.015 174.900 0.251 0.000 0.977 183 G CA 0.005 45.222 45.100 0.194 0.000 0.641 183 G HN 1.218 nan 8.290 nan 0.000 0.533 184 V N 0.960 120.952 119.914 0.130 0.000 2.398 184 V HA 0.709 4.828 4.120 -0.000 0.000 0.286 184 V C -0.279 175.871 176.094 0.093 0.000 1.026 184 V CA -0.964 61.444 62.300 0.181 0.000 0.868 184 V CB 1.218 33.108 31.823 0.113 0.000 0.982 184 V HN 0.224 nan 8.190 nan 0.000 0.443 185 Y N 2.280 122.677 120.300 0.162 0.000 2.509 185 Y HA 0.556 5.106 4.550 -0.000 0.000 0.341 185 Y C 0.244 176.252 175.900 0.179 0.000 1.038 185 Y CA -0.762 57.425 58.100 0.144 0.000 1.089 185 Y CB 1.825 40.339 38.460 0.089 0.000 1.241 185 Y HN 0.591 nan 8.280 nan 0.000 0.468 186 Q N 1.603 121.533 119.800 0.217 0.000 2.290 186 Q HA 0.565 4.905 4.340 -0.000 0.000 0.259 186 Q C -1.413 174.563 176.000 -0.040 0.000 0.941 186 Q CA -0.729 55.053 55.803 -0.035 0.000 0.912 186 Q CB 1.202 29.865 28.738 -0.125 0.000 1.244 186 Q HN 0.595 nan 8.270 nan 0.000 0.441 187 V N 6.725 126.571 119.914 -0.115 0.000 2.585 187 V HA 0.146 4.266 4.120 -0.000 0.000 0.296 187 V C -1.976 174.062 176.094 -0.093 0.000 1.035 187 V CA -1.039 61.219 62.300 -0.069 0.000 1.084 187 V CB 0.581 32.355 31.823 -0.081 0.000 0.953 187 V HN 0.847 nan 8.190 nan 0.000 0.483 188 P HA 0.216 nan 4.420 nan 0.000 0.270 188 P C -0.328 176.947 177.300 -0.042 0.000 1.223 188 P CA -0.068 63.003 63.100 -0.048 0.000 0.785 188 P CB 0.475 32.163 31.700 -0.020 0.000 0.923 189 A N 2.058 124.864 122.820 -0.024 0.000 2.425 189 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 189 A C 1.206 178.864 177.584 0.124 0.000 1.077 189 A CA 0.337 52.402 52.037 0.047 0.000 0.781 189 A CB -1.215 17.880 19.000 0.158 0.000 1.020 189 A HN 0.846 nan 8.150 nan 0.000 0.494 190 G N -0.501 108.384 108.800 0.141 0.000 2.395 190 G HA2 0.268 4.228 3.960 -0.000 0.000 0.292 190 G HA3 0.268 4.228 3.960 -0.000 0.000 0.292 190 G C 0.281 175.300 174.900 0.199 0.000 0.953 190 G CA 0.971 46.218 45.100 0.246 0.000 1.207 190 G HN 2.297 nan 8.290 nan 0.000 0.503 191 A N -1.374 121.501 122.820 0.091 0.000 2.602 191 A HA 0.969 5.289 4.320 -0.000 0.000 0.290 191 A C -0.643 176.945 177.584 0.006 0.000 1.114 191 A CA -0.036 52.048 52.037 0.080 0.000 0.683 191 A CB 2.305 21.335 19.000 0.051 0.000 1.281 191 A HN 1.887 nan 8.150 nan 0.000 0.416 192 V N 1.358 121.300 119.914 0.047 0.000 2.612 192 V HA 0.633 4.753 4.120 -0.000 0.000 0.301 192 V C -1.079 175.059 176.094 0.073 0.000 1.059 192 V CA -0.505 61.793 62.300 -0.003 0.000 0.886 192 V CB 1.424 33.271 31.823 0.040 0.000 1.007 192 V HN 0.862 nan 8.190 nan 0.000 0.426 193 M N 5.630 125.245 119.600 0.026 0.000 2.113 193 M HA 0.448 4.928 4.480 -0.000 0.000 0.352 193 M C -0.877 175.463 176.300 0.067 0.000 1.170 193 M CA -0.286 55.038 55.300 0.040 0.000 1.053 193 M CB 1.256 33.862 32.600 0.010 0.000 1.601 193 M HN 0.613 nan 8.290 nan 0.000 0.459 194 D N 5.168 125.628 120.400 0.100 0.000 2.412 194 D HA 0.453 5.093 4.640 -0.000 0.000 0.224 194 D C -1.128 175.211 176.300 0.066 0.000 1.093 194 D CA -0.188 53.875 54.000 0.105 0.000 0.850 194 D CB 0.512 41.414 40.800 0.170 0.000 1.046 194 D HN 0.478 nan 8.370 nan 0.000 0.507 195 I N 2.300 122.899 120.570 0.049 0.000 2.377 195 I HA 0.215 4.385 4.170 -0.000 0.000 0.293 195 I C 0.063 176.198 176.117 0.029 0.000 0.987 195 I CA -1.008 60.312 61.300 0.033 0.000 1.185 195 I CB 1.779 39.793 38.000 0.023 0.000 1.341 195 I HN 0.194 nan 8.210 nan 0.000 0.455 196 D N 5.146 125.561 120.400 0.025 0.000 2.380 196 D HA 0.149 4.789 4.640 -0.000 0.000 0.230 196 D C 0.735 177.036 176.300 0.002 0.000 1.154 196 D CA -0.425 53.586 54.000 0.018 0.000 0.859 196 D CB 1.202 42.016 40.800 0.024 0.000 1.045 196 D HN 0.395 nan 8.370 nan 0.000 0.495 197 L N 4.660 125.880 121.223 -0.004 0.000 2.043 197 L HA 0.038 4.377 4.340 -0.000 0.000 0.212 197 L C 2.036 178.885 176.870 -0.035 0.000 1.075 197 L CA 2.426 57.254 54.840 -0.020 0.000 0.752 197 L CB -0.923 41.127 42.059 -0.015 0.000 0.891 197 L HN 0.627 nan 8.230 nan 0.000 0.432 198 G N -1.314 107.471 108.800 -0.024 0.000 2.480 198 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 198 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 198 G C 1.515 176.389 174.900 -0.044 0.000 1.200 198 G CA 1.275 46.358 45.100 -0.029 0.000 0.782 198 G HN 0.585 nan 8.290 nan 0.000 0.554 199 S N -0.592 115.093 115.700 -0.024 0.000 2.528 199 S HA 0.350 4.820 4.470 -0.000 0.000 0.219 199 S C 1.884 176.453 174.600 -0.051 0.000 0.985 199 S CA 1.044 59.234 58.200 -0.018 0.000 0.914 199 S CB 0.031 63.251 63.200 0.034 0.000 0.776 199 S HN 1.697 nan 8.310 nan 0.000 0.526 200 G N 0.915 109.680 108.800 -0.059 0.000 2.160 200 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 200 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 200 G C 0.091 175.026 174.900 0.058 0.000 1.008 200 G CA 0.487 45.540 45.100 -0.077 0.000 0.724 200 G HN 0.795 nan 8.290 nan 0.000 0.514 201 T N -0.136 114.464 114.554 0.076 0.000 2.882 201 T HA 0.766 5.116 4.350 -0.000 0.000 0.287 201 T C 0.315 175.043 174.700 0.047 0.000 0.992 201 T CA 0.815 62.971 62.100 0.094 0.000 1.076 201 T CB 1.151 70.070 68.868 0.085 0.000 0.961 201 T HN 1.594 nan 8.240 nan 0.000 0.490 202 A N 3.498 126.334 122.820 0.027 0.000 2.401 202 A HA 0.792 5.112 4.320 -0.000 0.000 0.310 202 A C -1.229 176.345 177.584 -0.016 0.000 1.075 202 A CA -0.621 51.420 52.037 0.006 0.000 0.746 202 A CB 1.816 20.809 19.000 -0.012 0.000 1.277 202 A HN 0.727 nan 8.150 nan 0.000 0.425 203 V N 1.344 121.246 119.914 -0.021 0.000 2.577 203 V HA 0.558 4.677 4.120 -0.000 0.000 0.303 203 V C -0.176 175.826 176.094 -0.153 0.000 1.042 203 V CA -0.402 61.843 62.300 -0.091 0.000 0.872 203 V CB 1.942 33.728 31.823 -0.061 0.000 0.998 203 V HN 0.942 nan 8.190 nan 0.000 0.423 204 T N 4.337 118.755 114.554 -0.226 0.000 2.824 204 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 204 T C -0.669 173.826 174.700 -0.342 0.000 0.995 204 T CA -0.386 61.605 62.100 -0.181 0.000 1.009 204 T CB 0.460 69.279 68.868 -0.081 0.000 0.955 204 T HN 0.632 nan 8.240 nan 0.000 0.452 205 H N 2.441 121.532 119.070 0.035 0.000 2.547 205 H HA 0.364 4.920 4.556 -0.000 0.000 0.342 205 H C 0.028 175.401 175.328 0.076 0.000 1.048 205 H CA -0.684 55.397 56.048 0.056 0.000 1.204 205 H CB 1.527 31.321 29.762 0.054 0.000 1.493 205 H HN 0.341 nan 8.280 nan 0.000 0.511 206 R N 0.971 121.576 120.500 0.174 0.000 2.390 206 R HA 0.110 4.450 4.340 -0.000 0.000 0.291 206 R C 0.838 177.270 176.300 0.220 0.000 1.070 206 R CA -0.036 56.165 56.100 0.168 0.000 1.014 206 R CB 0.743 31.114 30.300 0.119 0.000 1.007 206 R HN 0.679 nan 8.270 nan 0.000 0.466 207 T N -1.735 112.979 114.554 0.266 0.000 3.054 207 T HA 0.138 4.488 4.350 -0.000 0.000 0.255 207 T C -0.207 174.736 174.700 0.405 0.000 1.035 207 T CA -0.524 61.763 62.100 0.312 0.000 0.941 207 T CB 0.103 69.174 68.868 0.339 0.000 1.026 207 T HN 0.661 nan 8.240 nan 0.000 0.533 208 W N 0.360 121.755 121.300 0.159 0.000 3.298 208 W HA 0.547 5.206 4.660 -0.000 0.000 0.302 208 W C -2.169 174.438 176.519 0.147 0.000 1.255 208 W CA -0.476 56.963 57.345 0.156 0.000 1.196 208 W CB 1.120 30.709 29.460 0.215 0.000 1.364 208 W HN -0.008 nan 8.180 nan 0.000 0.566 209 T N 4.312 118.347 114.554 -0.864 0.000 3.012 209 T HA 0.478 4.828 4.350 -0.000 0.000 0.330 209 T C -2.913 170.974 174.700 -1.355 0.000 1.321 209 T CA -1.089 60.533 62.100 -0.797 0.000 1.067 209 T CB 1.439 70.116 68.868 -0.318 0.000 1.235 209 T HN 0.158 nan 8.240 nan 0.000 0.479 210 P HA 0.275 nan 4.420 nan 0.000 0.265 210 P C 0.109 177.189 177.300 -0.365 0.000 1.193 210 P CA 0.001 62.736 63.100 -0.608 0.000 0.765 210 P CB 0.313 31.927 31.700 -0.143 0.000 0.823 211 G N 2.173 110.823 108.800 -0.250 0.000 2.441 211 G HA2 0.172 4.132 3.960 -0.000 0.000 0.243 211 G HA3 0.172 4.132 3.960 -0.000 0.000 0.243 211 G C 0.577 175.419 174.900 -0.096 0.000 1.281 211 G CA -0.391 44.620 45.100 -0.148 0.000 0.854 211 G HN 0.506 nan 8.290 nan 0.000 0.560 212 L N 1.371 122.548 121.223 -0.076 0.000 2.575 212 L HA 0.145 4.485 4.340 -0.000 0.000 0.228 212 L C 1.650 178.500 176.870 -0.035 0.000 1.075 212 L CA 0.128 54.938 54.840 -0.049 0.000 0.867 212 L CB -0.102 41.930 42.059 -0.046 0.000 1.097 212 L HN 0.596 nan 8.230 nan 0.000 0.485 213 S N 0.098 115.776 115.700 -0.036 0.000 2.669 213 S HA 0.544 5.013 4.470 -0.000 0.000 0.270 213 S C 0.004 174.590 174.600 -0.023 0.000 1.225 213 S CA -0.813 57.372 58.200 -0.026 0.000 0.991 213 S CB 1.665 64.851 63.200 -0.024 0.000 0.987 213 S HN 0.054 nan 8.310 nan 0.000 0.552 214 R N 0.448 120.937 120.500 -0.018 0.000 2.740 214 R HA 0.503 4.843 4.340 -0.000 0.000 0.282 214 R C -0.502 175.791 176.300 -0.011 0.000 0.969 214 R CA -0.692 55.399 56.100 -0.015 0.000 0.918 214 R CB 1.807 32.097 30.300 -0.017 0.000 1.175 214 R HN 0.823 nan 8.270 nan 0.000 0.464 215 R N 1.987 122.484 120.500 -0.006 0.000 2.604 215 R HA 0.468 4.808 4.340 -0.000 0.000 0.287 215 R C -0.542 175.759 176.300 0.001 0.000 0.970 215 R CA -0.648 55.451 56.100 -0.001 0.000 0.946 215 R CB 0.945 31.247 30.300 0.004 0.000 1.127 215 R HN 0.356 nan 8.270 nan 0.000 0.473 216 I N 5.535 126.106 120.570 0.002 0.000 2.377 216 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 216 I C -0.381 175.743 176.117 0.011 0.000 0.987 216 I CA -0.664 60.637 61.300 0.002 0.000 1.185 216 I CB 1.324 39.322 38.000 -0.004 0.000 1.341 216 I HN 0.593 nan 8.210 nan 0.000 0.455 217 L N 7.029 128.262 121.223 0.018 0.000 2.505 217 L HA 0.462 4.802 4.340 -0.000 0.000 0.259 217 L C -2.368 174.525 176.870 0.037 0.000 0.952 217 L CA -1.520 53.338 54.840 0.029 0.000 0.840 217 L CB 3.123 45.206 42.059 0.040 0.000 1.358 217 L HN 0.382 nan 8.230 nan 0.000 0.409 218 P HA 0.104 nan 4.420 nan 0.000 0.272 218 P C 0.083 177.435 177.300 0.086 0.000 1.223 218 P CA -0.180 62.947 63.100 0.045 0.000 0.784 218 P CB 0.990 32.713 31.700 0.039 0.000 0.923 219 E N 1.507 121.773 120.200 0.110 0.000 2.065 219 E HA -0.223 4.127 4.350 -0.000 0.000 0.201 219 E C 2.138 178.873 176.600 0.225 0.000 1.016 219 E CA 1.957 58.498 56.400 0.235 0.000 0.818 219 E CB -0.792 29.074 29.700 0.277 0.000 0.749 219 E HN 0.742 nan 8.360 nan 0.000 0.453 220 G N 1.190 110.080 108.800 0.150 0.000 2.491 220 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 220 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 220 G C 1.328 176.276 174.900 0.080 0.000 1.180 220 G CA 1.027 46.191 45.100 0.107 0.000 0.774 220 G HN 0.251 nan 8.290 nan 0.000 0.562 221 E N 0.456 120.699 120.200 0.071 0.000 2.072 221 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 221 E C 2.938 179.572 176.600 0.057 0.000 0.985 221 E CA 0.701 57.133 56.400 0.053 0.000 0.801 221 E CB -0.178 29.548 29.700 0.044 0.000 0.750 221 E HN 0.415 nan 8.360 nan 0.000 0.452 222 A N 0.881 123.751 122.820 0.083 0.000 1.902 222 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 222 A C 2.475 180.101 177.584 0.070 0.000 1.181 222 A CA 1.060 53.150 52.037 0.089 0.000 0.623 222 A CB -0.555 18.528 19.000 0.138 0.000 0.818 222 A HN 0.112 nan 8.150 nan 0.000 0.443 223 V N -0.278 119.679 119.914 0.071 0.000 2.358 223 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 223 V C 3.027 179.115 176.094 -0.010 0.000 1.047 223 V CA 1.854 64.148 62.300 -0.010 0.000 1.035 223 V CB -1.051 30.747 31.823 -0.041 0.000 0.658 223 V HN 0.602 nan 8.190 nan 0.000 0.452 224 A N -0.185 122.642 122.820 0.012 0.000 1.969 224 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 224 A C 2.380 179.969 177.584 0.007 0.000 1.169 224 A CA 1.827 53.869 52.037 0.008 0.000 0.635 224 A CB -0.603 18.407 19.000 0.017 0.000 0.810 224 A HN 0.546 nan 8.150 nan 0.000 0.445 225 A N -0.609 122.220 122.820 0.015 0.000 1.898 225 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 225 A C 2.192 179.780 177.584 0.007 0.000 1.181 225 A CA 1.650 53.694 52.037 0.013 0.000 0.620 225 A CB -0.785 18.227 19.000 0.020 0.000 0.819 225 A HN 0.344 nan 8.150 nan 0.000 0.442 226 V N 0.065 119.983 119.914 0.007 0.000 2.427 226 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 226 V C 2.678 178.771 176.094 -0.001 0.000 1.051 226 V CA 2.263 64.567 62.300 0.007 0.000 1.048 226 V CB -0.758 31.069 31.823 0.006 0.000 0.666 226 V HN 0.629 nan 8.190 nan 0.000 0.456 227 R N 1.307 121.801 120.500 -0.010 0.000 2.073 227 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 227 R C 2.159 178.451 176.300 -0.013 0.000 1.134 227 R CA 2.061 58.153 56.100 -0.014 0.000 0.952 227 R CB -1.101 29.189 30.300 -0.018 0.000 0.850 227 R HN 0.414 nan 8.270 nan 0.000 0.433 228 A N 0.241 123.056 122.820 -0.009 0.000 1.902 228 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 228 A C 2.385 179.960 177.584 -0.015 0.000 1.181 228 A CA 1.887 53.919 52.037 -0.009 0.000 0.623 228 A CB -1.087 17.911 19.000 -0.003 0.000 0.818 228 A HN 0.495 nan 8.150 nan 0.000 0.443 229 A N -0.644 122.166 122.820 -0.016 0.000 1.877 229 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 229 A C 2.135 179.691 177.584 -0.046 0.000 1.186 229 A CA 1.717 53.739 52.037 -0.025 0.000 0.620 229 A CB -0.629 18.360 19.000 -0.018 0.000 0.822 229 A HN 0.606 nan 8.150 nan 0.000 0.443 230 L N -0.014 121.179 121.223 -0.050 0.000 2.046 230 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 230 L C 2.289 179.106 176.870 -0.087 0.000 1.077 230 L CA 2.143 56.927 54.840 -0.093 0.000 0.747 230 L CB -0.635 41.372 42.059 -0.087 0.000 0.896 230 L HN 0.396 nan 8.230 nan 0.000 0.432 231 E N -0.121 120.048 120.200 -0.052 0.000 2.085 231 E HA -0.308 4.042 4.350 -0.000 0.000 0.194 231 E C 2.169 178.743 176.600 -0.042 0.000 0.994 231 E CA 1.541 57.918 56.400 -0.039 0.000 0.801 231 E CB -0.208 29.481 29.700 -0.018 0.000 0.743 231 E HN 0.544 nan 8.360 nan 0.000 0.453 232 K N 0.627 121.003 120.400 -0.040 0.000 2.025 232 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 232 K C 2.131 178.695 176.600 -0.059 0.000 1.049 232 K CA 1.164 57.430 56.287 -0.035 0.000 0.933 232 K CB -0.082 32.404 32.500 -0.024 0.000 0.714 232 K HN 0.046 nan 8.250 nan 0.000 0.438 233 A N 0.610 123.377 122.820 -0.090 0.000 1.972 233 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 233 A C 2.165 179.639 177.584 -0.183 0.000 1.169 233 A CA 1.437 53.386 52.037 -0.147 0.000 0.635 233 A CB -0.417 18.490 19.000 -0.155 0.000 0.810 233 A HN 0.190 nan 8.150 nan 0.000 0.446 234 V N -0.440 119.392 119.914 -0.138 0.000 2.453 234 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 234 V C 3.006 179.056 176.094 -0.072 0.000 1.048 234 V CA 1.641 63.871 62.300 -0.117 0.000 1.049 234 V CB -0.997 30.772 31.823 -0.091 0.000 0.672 234 V HN 0.591 nan 8.190 nan 0.000 0.457 235 A N -0.715 122.075 122.820 -0.049 0.000 1.933 235 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 235 A C 2.136 179.720 177.584 0.000 0.000 1.175 235 A CA 1.751 53.778 52.037 -0.017 0.000 0.628 235 A CB -0.456 18.538 19.000 -0.009 0.000 0.814 235 A HN 0.609 nan 8.150 nan 0.000 0.444 236 Q N -0.960 118.831 119.800 -0.016 0.000 2.291 236 Q HA -0.061 4.279 4.340 -0.000 0.000 0.205 236 Q C 1.833 177.887 176.000 0.091 0.000 0.970 236 Q CA 1.034 56.866 55.803 0.049 0.000 0.876 236 Q CB -0.036 28.725 28.738 0.039 0.000 0.935 236 Q HN 0.608 nan 8.270 nan 0.000 0.455 237 R N 0.098 120.573 120.500 -0.042 0.000 2.334 237 R HA 0.082 4.422 4.340 -0.000 0.000 0.216 237 R C 0.123 176.485 176.300 0.102 0.000 0.905 237 R CA 0.017 56.130 56.100 0.022 0.000 1.064 237 R CB 0.758 30.967 30.300 -0.152 0.000 1.046 237 R HN 0.036 nan 8.270 nan 0.000 0.508 238 V N -1.114 118.840 119.914 0.067 0.000 2.513 238 V HA 0.431 4.551 4.120 -0.000 0.000 0.299 238 V C 0.047 176.181 176.094 0.066 0.000 1.035 238 V CA -0.941 61.398 62.300 0.065 0.000 0.889 238 V CB 1.800 33.642 31.823 0.032 0.000 0.988 238 V HN -0.075 nan 8.190 nan 0.000 0.440 239 T N 6.044 120.638 114.554 0.066 0.000 2.901 239 T HA 0.254 4.604 4.350 -0.000 0.000 0.301 239 T C -1.456 173.261 174.700 0.030 0.000 1.012 239 T CA -0.371 61.759 62.100 0.049 0.000 1.135 239 T CB 0.918 69.814 68.868 0.047 0.000 0.936 239 T HN 0.718 nan 8.240 nan 0.000 0.539 240 P HA -0.195 nan 4.420 nan 0.000 0.214 240 P C 1.381 178.684 177.300 0.004 0.000 1.099 240 P CA 1.501 64.608 63.100 0.011 0.000 0.976 240 P CB -0.067 31.639 31.700 0.008 0.000 0.774 241 G N -2.304 106.499 108.800 0.004 0.000 3.502 241 G HA2 0.118 4.078 3.960 -0.000 0.000 0.267 241 G HA3 0.118 4.078 3.960 -0.000 0.000 0.267 241 G C -0.575 174.326 174.900 0.003 0.000 1.090 241 G CA 0.005 45.104 45.100 -0.000 0.000 0.795 241 G HN 0.234 nan 8.290 nan 0.000 0.535 242 D N 0.110 120.516 120.400 0.011 0.000 2.192 242 D HA 0.472 5.112 4.640 -0.000 0.000 0.246 242 D C -0.148 176.162 176.300 0.017 0.000 1.042 242 D CA -0.191 53.820 54.000 0.018 0.000 0.847 242 D CB 1.381 42.199 40.800 0.030 0.000 1.186 242 D HN -0.138 nan 8.370 nan 0.000 0.461 243 T N 5.160 119.724 114.554 0.016 0.000 2.761 243 T HA 0.329 4.678 4.350 -0.000 0.000 0.296 243 T C -2.134 172.587 174.700 0.035 0.000 0.934 243 T CA -0.933 61.175 62.100 0.014 0.000 1.091 243 T CB 1.086 69.960 68.868 0.010 0.000 0.896 243 T HN 0.325 nan 8.240 nan 0.000 0.515 244 P HA 0.455 nan 4.420 nan 0.000 0.280 244 P C -1.065 176.268 177.300 0.055 0.000 1.272 244 P CA -0.899 62.235 63.100 0.056 0.000 0.819 244 P CB 0.991 32.724 31.700 0.056 0.000 1.122 245 L N 1.169 122.426 121.223 0.057 0.000 2.313 245 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 245 L C -1.046 175.859 176.870 0.059 0.000 1.013 245 L CA -0.661 54.209 54.840 0.051 0.000 0.816 245 L CB 1.519 43.596 42.059 0.029 0.000 1.236 245 L HN 0.040 nan 8.230 nan 0.000 0.419 246 V N 5.770 125.729 119.914 0.074 0.000 2.448 246 V HA 0.380 4.500 4.120 -0.000 0.000 0.295 246 V C -0.294 175.860 176.094 0.100 0.000 1.025 246 V CA -0.808 61.544 62.300 0.086 0.000 0.859 246 V CB 1.991 33.868 31.823 0.090 0.000 0.988 246 V HN 0.519 nan 8.190 nan 0.000 0.431 247 V N 6.559 126.538 119.914 0.107 0.000 2.415 247 V HA 0.150 4.270 4.120 -0.000 0.000 0.267 247 V C 0.038 176.202 176.094 0.117 0.000 1.042 247 V CA 0.002 62.363 62.300 0.101 0.000 1.000 247 V CB 0.885 32.767 31.823 0.098 0.000 1.015 247 V HN 0.568 nan 8.190 nan 0.000 0.478 248 L N 5.813 127.119 121.223 0.138 0.000 2.289 248 L HA 0.623 4.963 4.340 -0.000 0.000 0.285 248 L C 0.241 177.192 176.870 0.135 0.000 1.049 248 L CA 1.007 55.932 54.840 0.141 0.000 0.804 248 L CB 1.670 43.824 42.059 0.158 0.000 1.195 248 L HN 0.697 nan 8.230 nan 0.000 0.428 249 S N 2.156 117.917 115.700 0.102 0.000 2.795 249 S HA 0.716 5.186 4.470 -0.000 0.000 0.308 249 S C 0.671 175.308 174.600 0.061 0.000 1.098 249 S CA -0.082 58.166 58.200 0.080 0.000 0.934 249 S CB 1.200 64.438 63.200 0.064 0.000 1.300 249 S HN 0.779 nan 8.310 nan 0.000 0.566 250 G N -0.263 108.561 108.800 0.039 0.000 3.371 250 G HA2 0.505 4.465 3.960 -0.000 0.000 0.248 250 G HA3 0.505 4.465 3.960 -0.000 0.000 0.248 250 G C 0.345 175.254 174.900 0.015 0.000 1.161 250 G CA 0.124 45.238 45.100 0.023 0.000 0.796 250 G HN 0.826 nan 8.290 nan 0.000 0.539 251 G N -0.488 108.326 108.800 0.023 0.000 2.667 251 G HA2 0.422 4.382 3.960 -0.000 0.000 0.310 251 G HA3 0.422 4.382 3.960 -0.000 0.000 0.310 251 G C 0.483 175.393 174.900 0.017 0.000 1.259 251 G CA -0.639 44.470 45.100 0.014 0.000 1.019 251 G HN 0.016 nan 8.290 nan 0.000 0.496 252 I N -0.297 120.274 120.570 0.002 0.000 2.546 252 I HA -0.013 4.157 4.170 -0.000 0.000 0.255 252 I C 1.812 177.955 176.117 0.043 0.000 1.163 252 I CA 1.095 62.399 61.300 0.005 0.000 1.457 252 I CB -0.222 37.765 38.000 -0.021 0.000 1.092 252 I HN 0.408 nan 8.210 nan 0.000 0.434 253 D N 0.411 120.821 120.400 0.017 0.000 2.137 253 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 253 D C 2.446 178.903 176.300 0.263 0.000 0.993 253 D CA 2.322 56.352 54.000 0.050 0.000 0.846 253 D CB -0.812 39.967 40.800 -0.034 0.000 0.990 253 D HN 0.489 nan 8.370 nan 0.000 0.448 254 S N 0.419 116.230 115.700 0.186 0.000 2.402 254 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 254 S C 2.076 176.757 174.600 0.135 0.000 1.021 254 S CA 1.707 60.015 58.200 0.181 0.000 0.974 254 S CB -0.525 62.759 63.200 0.141 0.000 0.800 254 S HN 0.296 nan 8.310 nan 0.000 0.484 255 S N 1.768 117.528 115.700 0.100 0.000 2.402 255 S HA 0.093 4.563 4.470 -0.000 0.000 0.229 255 S C 2.082 176.725 174.600 0.071 0.000 1.021 255 S CA 0.833 59.071 58.200 0.064 0.000 0.974 255 S CB -1.419 61.797 63.200 0.026 0.000 0.800 255 S HN 0.648 nan 8.310 nan 0.000 0.484 256 G N 1.377 110.243 108.800 0.110 0.000 2.408 256 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 256 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 256 G C 1.417 176.359 174.900 0.070 0.000 1.150 256 G CA 0.943 46.109 45.100 0.109 0.000 0.776 256 G HN 0.478 nan 8.290 nan 0.000 0.542 257 V N 1.492 121.453 119.914 0.078 0.000 2.358 257 V HA -0.082 4.037 4.120 -0.000 0.000 0.246 257 V C 3.312 179.426 176.094 0.033 0.000 1.047 257 V CA 1.873 64.173 62.300 0.000 0.000 1.035 257 V CB -0.805 31.025 31.823 0.012 0.000 0.658 257 V HN 0.461 nan 8.190 nan 0.000 0.452 258 A N 0.262 123.121 122.820 0.065 0.000 1.883 258 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 258 A C 2.449 180.085 177.584 0.086 0.000 1.186 258 A CA 2.284 54.367 52.037 0.078 0.000 0.624 258 A CB -0.890 18.156 19.000 0.077 0.000 0.822 258 A HN 0.579 nan 8.150 nan 0.000 0.444 259 A N -1.102 121.756 122.820 0.064 0.000 1.908 259 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 259 A C 2.303 179.934 177.584 0.077 0.000 1.181 259 A CA 1.820 53.895 52.037 0.062 0.000 0.627 259 A CB -1.254 17.771 19.000 0.042 0.000 0.818 259 A HN 0.625 nan 8.150 nan 0.000 0.445 260 C N -1.312 118.016 119.300 0.046 0.000 2.457 260 C HA 0.193 4.653 4.460 -0.000 0.000 0.278 260 C C 3.277 178.290 174.990 0.038 0.000 1.309 260 C CA 0.532 59.566 59.018 0.027 0.000 1.735 260 C CB -1.204 26.525 27.740 -0.018 0.000 1.992 260 C HN 0.706 nan 8.230 nan 0.000 0.493 261 A N -0.355 122.493 122.820 0.048 0.000 1.929 261 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 261 A C 2.124 179.747 177.584 0.065 0.000 1.176 261 A CA 1.535 53.598 52.037 0.044 0.000 0.628 261 A CB -0.948 18.079 19.000 0.045 0.000 0.816 261 A HN 0.765 nan 8.150 nan 0.000 0.444 262 H N -0.073 119.006 119.070 0.015 0.000 2.387 262 H HA -0.065 4.491 4.556 -0.000 0.000 0.299 262 H C 2.222 177.555 175.328 0.009 0.000 1.090 262 H CA 1.722 57.779 56.048 0.016 0.000 1.332 262 H CB -0.120 29.654 29.762 0.019 0.000 1.386 262 H HN 0.499 nan 8.280 nan 0.000 0.516 263 R N 0.256 120.851 120.500 0.158 0.000 2.073 263 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 263 R C 2.376 178.685 176.300 0.014 0.000 1.120 263 R CA 1.088 57.246 56.100 0.097 0.000 0.967 263 R CB -0.230 30.121 30.300 0.085 0.000 0.862 263 R HN 0.302 nan 8.270 nan 0.000 0.436 264 A N 0.261 123.086 122.820 0.008 0.000 1.969 264 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 264 A C 2.077 179.646 177.584 -0.025 0.000 1.169 264 A CA 1.534 53.568 52.037 -0.006 0.000 0.635 264 A CB -0.281 18.718 19.000 -0.002 0.000 0.810 264 A HN 0.507 nan 8.150 nan 0.000 0.445 265 A N -2.718 120.073 122.820 -0.050 0.000 2.115 265 A HA 0.439 4.759 4.320 -0.000 0.000 0.211 265 A C 1.982 179.491 177.584 -0.126 0.000 1.169 265 A CA 1.187 53.183 52.037 -0.068 0.000 0.787 265 A CB -0.420 18.548 19.000 -0.054 0.000 0.858 265 A HN 1.753 nan 8.150 nan 0.000 0.474 266 G N -1.121 107.547 108.800 -0.220 0.000 2.299 266 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.237 266 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.237 266 G C 0.119 174.720 174.900 -0.499 0.000 1.027 266 G CA 0.583 45.511 45.100 -0.286 0.000 0.619 266 G HN 0.613 nan 8.290 nan 0.000 0.513 267 E N -1.257 118.703 120.200 -0.400 0.000 2.446 267 E HA 0.816 5.166 4.350 -0.000 0.000 0.276 267 E C -1.436 175.073 176.600 -0.151 0.000 0.969 267 E CA -0.849 55.379 56.400 -0.286 0.000 0.800 267 E CB 2.585 32.222 29.700 -0.105 0.000 1.341 267 E HN 0.509 nan 8.360 nan 0.000 0.460 268 L N 1.018 122.250 121.223 0.015 0.000 2.592 268 L HA 0.396 4.736 4.340 -0.000 0.000 0.258 268 L C -2.103 174.823 176.870 0.095 0.000 0.926 268 L CA -0.428 54.460 54.840 0.079 0.000 0.885 268 L CB 2.107 44.264 42.059 0.164 0.000 1.380 268 L HN 0.406 nan 8.230 nan 0.000 0.415 269 D N 2.168 122.614 120.400 0.077 0.000 2.163 269 D HA 0.758 5.398 4.640 -0.000 0.000 0.248 269 D C -0.498 175.859 176.300 0.095 0.000 1.035 269 D CA 0.112 54.158 54.000 0.075 0.000 0.872 269 D CB 2.079 42.908 40.800 0.048 0.000 1.183 269 D HN 0.684 nan 8.370 nan 0.000 0.445 270 T N -2.212 112.419 114.554 0.129 0.000 2.906 270 T HA 0.717 5.067 4.350 -0.000 0.000 0.295 270 T C -0.757 174.012 174.700 0.114 0.000 1.075 270 T CA -0.925 61.286 62.100 0.184 0.000 1.005 270 T CB 1.834 70.881 68.868 0.298 0.000 1.136 270 T HN 0.165 nan 8.240 nan 0.000 0.498 271 V N 0.505 120.465 119.914 0.077 0.000 2.932 271 V HA 0.756 4.876 4.120 -0.000 0.000 0.307 271 V C -1.436 174.680 176.094 0.038 0.000 1.147 271 V CA -0.347 61.890 62.300 -0.104 0.000 0.951 271 V CB 2.451 34.222 31.823 -0.086 0.000 1.031 271 V HN 1.228 nan 8.190 nan 0.000 0.426 272 S N 6.863 122.562 115.700 -0.002 0.000 2.538 272 S HA 0.672 5.142 4.470 -0.000 0.000 0.288 272 S C -0.798 173.943 174.600 0.236 0.000 1.108 272 S CA -0.515 57.810 58.200 0.208 0.000 0.971 272 S CB 1.719 65.194 63.200 0.459 0.000 1.041 272 S HN 0.848 nan 8.310 nan 0.000 0.483 273 M N 2.728 122.449 119.600 0.203 0.000 2.436 273 M HA 0.711 5.191 4.480 -0.000 0.000 0.331 273 M C -0.370 176.002 176.300 0.122 0.000 1.135 273 M CA -0.253 55.144 55.300 0.162 0.000 0.987 273 M CB 1.480 34.077 32.600 -0.006 0.000 1.687 273 M HN 0.866 nan 8.290 nan 0.000 0.445 274 G N 1.584 110.453 108.800 0.116 0.000 2.694 274 G HA2 0.730 4.690 3.960 -0.000 0.000 0.290 274 G HA3 0.730 4.690 3.960 -0.000 0.000 0.290 274 G C -1.074 173.795 174.900 -0.051 0.000 1.386 274 G CA -0.454 44.563 45.100 -0.137 0.000 0.872 274 G HN 0.765 nan 8.290 nan 0.000 0.475 275 T N -2.807 111.690 114.554 -0.096 0.000 2.883 275 T HA 0.492 4.842 4.350 -0.000 0.000 0.284 275 T C 0.503 175.177 174.700 -0.043 0.000 1.041 275 T CA 0.135 62.206 62.100 -0.047 0.000 1.007 275 T CB 1.834 70.673 68.868 -0.049 0.000 1.220 275 T HN 0.425 nan 8.240 nan 0.000 0.552 276 D N -0.762 119.625 120.400 -0.020 0.000 2.363 276 D HA 0.070 4.710 4.640 -0.000 0.000 0.226 276 D C 1.351 177.636 176.300 -0.025 0.000 1.020 276 D CA 0.377 54.369 54.000 -0.013 0.000 0.892 276 D CB -0.418 40.381 40.800 -0.002 0.000 0.900 276 D HN 0.517 nan 8.370 nan 0.000 0.531 277 T N -1.272 113.260 114.554 -0.037 0.000 3.034 277 T HA 0.173 4.523 4.350 -0.000 0.000 0.248 277 T C 0.615 175.279 174.700 -0.060 0.000 1.040 277 T CA 0.669 62.746 62.100 -0.039 0.000 1.107 277 T CB 0.176 69.026 68.868 -0.030 0.000 0.932 277 T HN 0.394 nan 8.240 nan 0.000 0.474 278 S N 1.410 117.054 115.700 -0.093 0.000 2.627 278 S HA 0.531 5.001 4.470 -0.000 0.000 0.268 278 S C -1.965 172.496 174.600 -0.233 0.000 1.130 278 S CA -1.163 56.957 58.200 -0.134 0.000 0.819 278 S CB 1.743 64.883 63.200 -0.101 0.000 1.100 278 S HN 0.526 nan 8.310 nan 0.000 0.465 279 N N -0.464 118.046 118.700 -0.316 0.000 3.116 279 N HA 0.391 5.131 4.740 -0.000 0.000 0.244 279 N C -1.683 173.582 175.510 -0.408 0.000 1.485 279 N CA -0.791 51.926 53.050 -0.555 0.000 0.884 279 N CB 1.300 39.029 38.487 -1.262 0.000 1.415 279 N HN 0.574 nan 8.380 nan 0.000 0.524 280 E N -0.157 119.818 120.200 -0.375 0.000 2.995 280 E HA 0.281 4.631 4.350 -0.000 0.000 0.203 280 E C -0.130 176.505 176.600 0.058 0.000 0.980 280 E CA -0.430 55.902 56.400 -0.114 0.000 1.172 280 E CB -0.067 29.613 29.700 -0.034 0.000 1.088 280 E HN 0.360 nan 8.360 nan 0.000 0.463 281 F N 0.790 120.760 119.950 0.033 0.000 2.095 281 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 281 F C 2.351 178.163 175.800 0.020 0.000 1.104 281 F CA 1.088 59.120 58.000 0.053 0.000 1.232 281 F CB -0.459 38.577 39.000 0.059 0.000 0.987 281 F HN 0.174 nan 8.300 nan 0.000 0.475 282 R N 0.668 121.286 120.500 0.197 0.000 2.083 282 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 282 R C 2.022 178.355 176.300 0.056 0.000 1.137 282 R CA 1.890 58.051 56.100 0.100 0.000 0.951 282 R CB -0.262 30.076 30.300 0.063 0.000 0.851 282 R HN 0.200 nan 8.270 nan 0.000 0.434 283 E N 0.177 120.404 120.200 0.045 0.000 2.058 283 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 283 E C 1.827 178.434 176.600 0.011 0.000 0.997 283 E CA 1.599 58.011 56.400 0.020 0.000 0.801 283 E CB -0.367 29.342 29.700 0.015 0.000 0.746 283 E HN 0.421 nan 8.360 nan 0.000 0.450 284 A N 0.780 123.620 122.820 0.034 0.000 1.972 284 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 284 A C 2.132 179.641 177.584 -0.125 0.000 1.169 284 A CA 1.736 53.761 52.037 -0.019 0.000 0.635 284 A CB -0.421 18.610 19.000 0.051 0.000 0.810 284 A HN 0.077 nan 8.150 nan 0.000 0.446 285 R N 0.392 120.843 120.500 -0.082 0.000 2.105 285 R HA -0.063 4.277 4.340 -0.000 0.000 0.239 285 R C 2.074 178.333 176.300 -0.068 0.000 1.135 285 R CA 1.844 57.881 56.100 -0.104 0.000 0.967 285 R CB -0.875 29.413 30.300 -0.021 0.000 0.861 285 R HN 0.401 nan 8.270 nan 0.000 0.442 286 A N -0.463 122.335 122.820 -0.037 0.000 1.908 286 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 286 A C 2.256 179.831 177.584 -0.015 0.000 1.181 286 A CA 1.872 53.896 52.037 -0.022 0.000 0.627 286 A CB -0.571 18.412 19.000 -0.029 0.000 0.818 286 A HN 0.191 nan 8.150 nan 0.000 0.445 287 V N -0.718 119.174 119.914 -0.038 0.000 2.407 287 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 287 V C 2.518 178.600 176.094 -0.020 0.000 1.041 287 V CA 1.542 63.833 62.300 -0.016 0.000 1.040 287 V CB -0.700 31.107 31.823 -0.028 0.000 0.671 287 V HN 0.341 nan 8.190 nan 0.000 0.455 288 V N 0.652 120.506 119.914 -0.100 0.000 2.324 288 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 288 V C 2.236 178.303 176.094 -0.045 0.000 1.060 288 V CA 2.412 64.640 62.300 -0.120 0.000 1.042 288 V CB -0.630 31.027 31.823 -0.277 0.000 0.650 288 V HN 0.597 nan 8.190 nan 0.000 0.450 289 D N -1.681 118.703 120.400 -0.026 0.000 2.213 289 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 289 D C 2.008 178.310 176.300 0.003 0.000 0.961 289 D CA 1.198 55.194 54.000 -0.006 0.000 0.853 289 D CB -0.190 40.611 40.800 0.002 0.000 0.967 289 D HN 0.608 nan 8.370 nan 0.000 0.496 290 H N 0.575 119.604 119.070 -0.068 0.000 2.389 290 H HA 0.055 4.611 4.556 -0.000 0.000 0.299 290 H C 1.853 177.111 175.328 -0.117 0.000 1.081 290 H CA 1.246 57.249 56.048 -0.076 0.000 1.345 290 H CB -0.026 29.693 29.762 -0.072 0.000 1.393 290 H HN 0.025 nan 8.280 nan 0.000 0.520 291 L N -0.659 120.493 121.223 -0.119 0.000 2.590 291 L HA 0.226 4.566 4.340 -0.000 0.000 0.227 291 L C 0.229 176.986 176.870 -0.187 0.000 1.099 291 L CA 0.061 54.719 54.840 -0.303 0.000 0.872 291 L CB 0.240 42.125 42.059 -0.291 0.000 1.088 291 L HN 0.127 nan 8.230 nan 0.000 0.479 292 R N 1.366 121.823 120.500 -0.073 0.000 3.084 292 R HA -0.131 4.209 4.340 -0.000 0.000 0.258 292 R C 0.126 176.460 176.300 0.056 0.000 0.914 292 R CA 0.669 56.766 56.100 -0.006 0.000 0.646 292 R CB -1.918 28.379 30.300 -0.005 0.000 1.330 292 R HN 0.480 nan 8.270 nan 0.000 0.465 293 T N -2.539 112.051 114.554 0.061 0.000 2.936 293 T HA 0.457 4.807 4.350 -0.000 0.000 0.282 293 T C 0.297 175.055 174.700 0.096 0.000 1.003 293 T CA -1.142 61.021 62.100 0.105 0.000 1.005 293 T CB 1.900 70.838 68.868 0.117 0.000 1.097 293 T HN 0.413 nan 8.240 nan 0.000 0.532 294 R N 1.153 121.711 120.500 0.097 0.000 2.235 294 R HA 0.285 4.625 4.340 -0.000 0.000 0.338 294 R C -0.719 175.649 176.300 0.114 0.000 1.087 294 R CA -0.414 55.735 56.100 0.082 0.000 0.948 294 R CB -0.468 29.863 30.300 0.052 0.000 1.099 294 R HN 0.784 nan 8.270 nan 0.000 0.483 295 H N 2.462 121.530 119.070 -0.004 0.000 2.502 295 H HA 0.522 5.078 4.556 -0.000 0.000 0.338 295 H C -0.748 174.552 175.328 -0.047 0.000 1.155 295 H CA -0.358 55.678 56.048 -0.021 0.000 1.237 295 H CB 0.827 30.575 29.762 -0.024 0.000 1.534 295 H HN 0.403 nan 8.280 nan 0.000 0.523 296 R N 2.621 122.712 120.500 -0.682 0.000 2.651 296 R HA 0.298 4.638 4.340 -0.000 0.000 0.278 296 R C -0.966 174.919 176.300 -0.690 0.000 1.010 296 R CA -0.774 55.033 56.100 -0.489 0.000 0.896 296 R CB 1.768 31.908 30.300 -0.267 0.000 1.211 296 R HN 0.777 nan 8.270 nan 0.000 0.456 297 E N 2.763 122.663 120.200 -0.501 0.000 2.187 297 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 297 E C -0.372 176.040 176.600 -0.312 0.000 0.896 297 E CA -0.577 55.473 56.400 -0.583 0.000 0.766 297 E CB 2.374 31.482 29.700 -0.986 0.000 1.142 297 E HN 0.351 nan 8.360 nan 0.000 0.408 298 I N 2.086 122.580 120.570 -0.126 0.000 2.447 298 I HA 0.260 4.429 4.170 -0.000 0.000 0.287 298 I C -0.510 175.692 176.117 0.142 0.000 1.023 298 I CA -0.572 60.723 61.300 -0.009 0.000 1.083 298 I CB 2.134 40.118 38.000 -0.026 0.000 1.245 298 I HN 0.350 nan 8.210 nan 0.000 0.434 299 T N 7.106 121.735 114.554 0.126 0.000 2.779 299 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 299 T C -0.215 174.520 174.700 0.058 0.000 0.987 299 T CA -0.286 61.902 62.100 0.148 0.000 0.966 299 T CB 1.069 70.044 68.868 0.178 0.000 0.933 299 T HN 0.274 nan 8.240 nan 0.000 0.442 300 I N 5.157 125.745 120.570 0.030 0.000 2.406 300 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 300 I C -2.315 173.803 176.117 0.001 0.000 0.999 300 I CA -2.763 58.540 61.300 0.005 0.000 1.124 300 I CB 2.139 40.130 38.000 -0.016 0.000 1.289 300 I HN 0.310 nan 8.210 nan 0.000 0.441 301 P HA 0.029 nan 4.420 nan 0.000 0.267 301 P C 0.697 177.999 177.300 0.003 0.000 1.201 301 P CA 0.117 63.220 63.100 0.005 0.000 0.775 301 P CB 0.546 32.251 31.700 0.008 0.000 0.854 302 T N -0.092 114.466 114.554 0.005 0.000 2.759 302 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 302 T C 1.817 176.532 174.700 0.024 0.000 1.042 302 T CA 2.103 64.210 62.100 0.012 0.000 1.140 302 T CB -0.668 68.209 68.868 0.014 0.000 0.864 302 T HN 0.539 nan 8.240 nan 0.000 0.455 303 T N 1.091 115.659 114.554 0.024 0.000 2.708 303 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 303 T C 1.962 176.681 174.700 0.031 0.000 1.037 303 T CA 1.866 63.985 62.100 0.033 0.000 1.146 303 T CB -0.267 68.618 68.868 0.027 0.000 0.865 303 T HN 0.431 nan 8.240 nan 0.000 0.435 304 E N 0.094 120.304 120.200 0.016 0.000 2.204 304 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 304 E C 1.941 178.541 176.600 -0.001 0.000 0.989 304 E CA 0.620 57.024 56.400 0.006 0.000 0.824 304 E CB -0.617 29.079 29.700 -0.006 0.000 0.756 304 E HN 0.493 nan 8.360 nan 0.000 0.477 305 L N -0.015 121.208 121.223 0.001 0.000 2.056 305 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 305 L C 1.962 178.835 176.870 0.006 0.000 1.078 305 L CA 1.535 56.369 54.840 -0.010 0.000 0.749 305 L CB -0.265 41.787 42.059 -0.012 0.000 0.901 305 L HN 0.256 nan 8.230 nan 0.000 0.433 306 L N -0.644 120.604 121.223 0.042 0.000 2.376 306 L HA -0.021 4.319 4.340 -0.000 0.000 0.219 306 L C 2.301 179.217 176.870 0.077 0.000 1.133 306 L CA 0.648 55.535 54.840 0.079 0.000 0.816 306 L CB -0.715 41.431 42.059 0.146 0.000 0.933 306 L HN 0.323 nan 8.230 nan 0.000 0.449 307 A N -0.950 121.906 122.820 0.061 0.000 2.235 307 A HA -0.064 4.256 4.320 -0.000 0.000 0.208 307 A C 1.995 179.642 177.584 0.104 0.000 1.172 307 A CA 0.527 52.610 52.037 0.077 0.000 0.786 307 A CB -0.086 18.948 19.000 0.056 0.000 0.804 307 A HN 0.322 nan 8.150 nan 0.000 0.479 308 Q N -0.389 119.451 119.800 0.065 0.000 2.424 308 Q HA 0.136 4.476 4.340 -0.000 0.000 0.204 308 Q C 1.790 177.866 176.000 0.126 0.000 0.933 308 Q CA 0.209 56.066 55.803 0.091 0.000 0.929 308 Q CB -0.279 28.463 28.738 0.006 0.000 1.037 308 Q HN 0.711 nan 8.270 nan 0.000 0.511 309 L N 1.746 123.001 121.223 0.054 0.000 2.010 309 L HA -0.233 4.107 4.340 -0.000 0.000 0.219 309 L C -0.339 176.558 176.870 0.045 0.000 1.077 309 L CA 2.040 56.877 54.840 -0.004 0.000 0.773 309 L CB -1.959 40.090 42.059 -0.016 0.000 0.892 309 L HN 0.192 nan 8.230 nan 0.000 0.436 310 P HA -0.206 nan 4.420 nan 0.000 0.217 310 P C 1.286 178.551 177.300 -0.058 0.000 1.150 310 P CA 1.725 64.795 63.100 -0.050 0.000 0.832 310 P CB -0.095 31.511 31.700 -0.156 0.000 0.787 311 Y N 0.686 120.995 120.300 0.015 0.000 2.263 311 Y HA -0.002 4.548 4.550 -0.000 0.000 0.292 311 Y C 2.925 178.922 175.900 0.161 0.000 1.130 311 Y CA 1.230 59.405 58.100 0.125 0.000 1.179 311 Y CB -1.425 37.094 38.460 0.099 0.000 0.998 311 Y HN -0.042 nan 8.280 nan 0.000 0.532 312 A N 0.003 122.960 122.820 0.229 0.000 1.902 312 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 312 A C 2.336 179.991 177.584 0.117 0.000 1.181 312 A CA 2.198 54.314 52.037 0.132 0.000 0.623 312 A CB -1.358 17.674 19.000 0.052 0.000 0.818 312 A HN 0.332 nan 8.150 nan 0.000 0.443 313 V N -4.332 115.654 119.914 0.120 0.000 2.548 313 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 313 V C 2.173 178.359 176.094 0.153 0.000 1.055 313 V CA 1.527 63.914 62.300 0.145 0.000 1.065 313 V CB -1.255 30.662 31.823 0.157 0.000 0.681 313 V HN 0.684 nan 8.190 nan 0.000 0.462 314 W N 1.720 122.964 121.300 -0.093 0.000 2.358 314 W HA 0.020 4.680 4.660 -0.000 0.000 0.303 314 W C 2.482 178.940 176.519 -0.102 0.000 1.208 314 W CA 2.303 59.547 57.345 -0.168 0.000 1.274 314 W CB -0.434 28.870 29.460 -0.260 0.000 1.138 314 W HN 0.325 nan 8.180 nan 0.000 0.515 315 A N -0.399 122.412 122.820 -0.015 0.000 1.930 315 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 315 A C 2.101 179.628 177.584 -0.095 0.000 1.176 315 A CA 2.092 54.036 52.037 -0.154 0.000 0.632 315 A CB -1.211 17.776 19.000 -0.021 0.000 0.819 315 A HN 0.302 nan 8.150 nan 0.000 0.445 316 S N -1.066 114.630 115.700 -0.007 0.000 2.446 316 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 316 S C 0.545 175.183 174.600 0.063 0.000 1.016 316 S CA 0.793 59.005 58.200 0.019 0.000 0.943 316 S CB -0.330 62.894 63.200 0.040 0.000 0.786 316 S HN 0.570 nan 8.310 nan 0.000 0.508 317 E N 0.655 120.903 120.200 0.080 0.000 2.476 317 E HA -0.162 4.188 4.350 -0.000 0.000 0.251 317 E C -0.353 176.474 176.600 0.378 0.000 1.130 317 E CA 0.638 57.151 56.400 0.187 0.000 0.736 317 E CB -1.964 27.752 29.700 0.027 0.000 1.298 317 E HN 0.519 nan 8.360 nan 0.000 0.400 318 S N -0.325 115.534 115.700 0.265 0.000 2.537 318 S HA 0.516 4.986 4.470 -0.000 0.000 0.301 318 S C 0.699 175.342 174.600 0.072 0.000 1.092 318 S CA -0.172 58.102 58.200 0.124 0.000 1.048 318 S CB 2.007 65.247 63.200 0.067 0.000 1.053 318 S HN 0.397 nan 8.310 nan 0.000 0.501 319 V N 0.370 120.218 119.914 -0.111 0.000 3.528 319 V HA 0.416 4.536 4.120 -0.000 0.000 0.294 319 V C 0.330 176.388 176.094 -0.060 0.000 1.404 319 V CA -0.275 61.935 62.300 -0.151 0.000 1.065 319 V CB -0.129 31.475 31.823 -0.366 0.000 0.904 319 V HN 0.750 nan 8.190 nan 0.000 0.435 320 D N 2.165 122.547 120.400 -0.031 0.000 2.336 320 D HA 0.266 4.906 4.640 -0.000 0.000 0.249 320 D C -1.625 174.687 176.300 0.020 0.000 1.213 320 D CA -1.863 52.134 54.000 -0.005 0.000 0.870 320 D CB 2.134 42.932 40.800 -0.003 0.000 1.076 320 D HN 0.119 nan 8.370 nan 0.000 0.483 321 P HA -0.113 nan 4.420 nan 0.000 0.216 321 P C 0.753 178.087 177.300 0.057 0.000 1.150 321 P CA 0.851 63.991 63.100 0.067 0.000 0.837 321 P CB 0.387 32.168 31.700 0.135 0.000 0.786 322 D N -0.812 119.625 120.400 0.062 0.000 2.117 322 D HA -0.128 4.511 4.640 -0.000 0.000 0.197 322 D C 1.914 178.257 176.300 0.070 0.000 0.987 322 D CA 1.063 55.103 54.000 0.068 0.000 0.829 322 D CB -0.441 40.391 40.800 0.054 0.000 0.961 322 D HN 0.108 nan 8.370 nan 0.000 0.460 323 I N 1.354 121.953 120.570 0.048 0.000 2.202 323 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 323 I C 2.473 178.637 176.117 0.077 0.000 1.091 323 I CA 0.608 61.943 61.300 0.058 0.000 1.368 323 I CB -0.843 37.172 38.000 0.025 0.000 1.058 323 I HN -0.012 nan 8.210 nan 0.000 0.410 324 I N 0.901 121.486 120.570 0.025 0.000 2.208 324 I HA -0.289 3.880 4.170 -0.000 0.000 0.245 324 I C 2.531 178.609 176.117 -0.064 0.000 1.097 324 I CA 1.448 62.734 61.300 -0.023 0.000 1.363 324 I CB -1.317 36.640 38.000 -0.072 0.000 1.051 324 I HN 0.375 nan 8.210 nan 0.000 0.413 325 E N -0.076 120.086 120.200 -0.064 0.000 2.110 325 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 325 E C 2.322 178.927 176.600 0.008 0.000 0.988 325 E CA 1.173 57.533 56.400 -0.067 0.000 0.804 325 E CB -0.211 29.499 29.700 0.016 0.000 0.745 325 E HN 0.514 nan 8.360 nan 0.000 0.458 326 Y N 0.536 120.811 120.300 -0.041 0.000 2.263 326 Y HA -0.084 4.466 4.550 -0.000 0.000 0.292 326 Y C 1.691 177.563 175.900 -0.047 0.000 1.130 326 Y CA 1.290 59.374 58.100 -0.027 0.000 1.179 326 Y CB 0.063 38.519 38.460 -0.008 0.000 0.998 326 Y HN 0.001 nan 8.280 nan 0.000 0.532 327 L N -0.378 120.838 121.223 -0.013 0.000 2.395 327 L HA -0.123 4.217 4.340 -0.000 0.000 0.218 327 L C 2.204 179.001 176.870 -0.122 0.000 1.130 327 L CA 0.209 54.997 54.840 -0.086 0.000 0.826 327 L CB -0.426 41.644 42.059 0.018 0.000 0.941 327 L HN 0.298 nan 8.230 nan 0.000 0.451 328 L N 0.790 121.941 121.223 -0.120 0.000 1.990 328 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 328 L C 0.050 176.841 176.870 -0.132 0.000 1.072 328 L CA 1.853 56.628 54.840 -0.109 0.000 0.755 328 L CB -1.844 40.147 42.059 -0.114 0.000 0.889 328 L HN 0.276 nan 8.230 nan 0.000 0.432 329 P HA -0.171 nan 4.420 nan 0.000 0.218 329 P C 1.935 179.085 177.300 -0.250 0.000 1.149 329 P CA 1.468 64.454 63.100 -0.191 0.000 0.817 329 P CB 0.099 31.675 31.700 -0.206 0.000 0.785 330 L N -0.547 120.496 121.223 -0.301 0.000 2.027 330 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 330 L C 2.953 179.579 176.870 -0.407 0.000 1.074 330 L CA 2.145 56.727 54.840 -0.430 0.000 0.745 330 L CB -1.570 40.317 42.059 -0.287 0.000 0.898 330 L HN 0.082 nan 8.230 nan 0.000 0.433 331 T N -0.629 113.854 114.554 -0.117 0.000 2.788 331 T HA -0.151 4.198 4.350 -0.000 0.000 0.268 331 T C 1.825 176.506 174.700 -0.033 0.000 1.044 331 T CA 1.345 63.467 62.100 0.036 0.000 1.139 331 T CB 0.022 68.931 68.868 0.068 0.000 0.867 331 T HN 0.396 nan 8.240 nan 0.000 0.454 332 A N 1.276 124.033 122.820 -0.105 0.000 1.873 332 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 332 A C 2.261 179.778 177.584 -0.111 0.000 1.186 332 A CA 1.683 53.659 52.037 -0.102 0.000 0.616 332 A CB -1.003 17.938 19.000 -0.098 0.000 0.823 332 A HN 0.544 nan 8.150 nan 0.000 0.442 333 L N -1.203 119.898 121.223 -0.204 0.000 2.012 333 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 333 L C 2.326 179.118 176.870 -0.131 0.000 1.073 333 L CA 2.078 56.786 54.840 -0.221 0.000 0.748 333 L CB -0.992 40.844 42.059 -0.371 0.000 0.891 333 L HN 0.458 nan 8.230 nan 0.000 0.431 334 Y N 0.274 120.561 120.300 -0.021 0.000 2.165 334 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 334 Y C 2.730 178.681 175.900 0.086 0.000 1.155 334 Y CA 1.559 59.673 58.100 0.024 0.000 1.164 334 Y CB -0.762 37.725 38.460 0.046 0.000 0.978 334 Y HN 0.219 nan 8.280 nan 0.000 0.513 335 R N -0.494 120.110 120.500 0.173 0.000 2.189 335 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 335 R C 2.230 178.568 176.300 0.063 0.000 1.074 335 R CA 0.831 56.989 56.100 0.096 0.000 0.991 335 R CB -0.333 29.957 30.300 -0.016 0.000 0.883 335 R HN 0.269 nan 8.270 nan 0.000 0.457 336 A N 0.802 123.643 122.820 0.034 0.000 2.123 336 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 336 A C 0.559 178.161 177.584 0.030 0.000 1.152 336 A CA -0.022 52.023 52.037 0.012 0.000 0.728 336 A CB 0.046 19.034 19.000 -0.020 0.000 0.814 336 A HN 0.044 nan 8.150 nan 0.000 0.464 337 L N 1.844 123.102 121.223 0.059 0.000 2.540 337 L HA 0.076 4.416 4.340 -0.000 0.000 0.276 337 L C -0.453 176.475 176.870 0.096 0.000 1.212 337 L CA 0.604 55.469 54.840 0.042 0.000 0.893 337 L CB 0.009 42.040 42.059 -0.046 0.000 1.138 337 L HN 0.244 nan 8.230 nan 0.000 0.491 338 D N 2.435 122.866 120.400 0.052 0.000 2.269 338 D HA 0.745 5.385 4.640 -0.000 0.000 0.244 338 D C 0.409 176.754 176.300 0.074 0.000 0.992 338 D CA 0.513 54.550 54.000 0.062 0.000 0.894 338 D CB 1.950 42.767 40.800 0.027 0.000 1.248 338 D HN 0.710 nan 8.370 nan 0.000 0.468 339 G N 1.463 110.313 108.800 0.083 0.000 2.466 339 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.316 339 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.316 339 G C -2.543 172.428 174.900 0.119 0.000 1.270 339 G CA -0.857 44.293 45.100 0.084 0.000 0.982 339 G HN 0.500 nan 8.290 nan 0.000 0.506 340 P HA 0.450 nan 4.420 nan 0.000 0.277 340 P C -0.073 177.348 177.300 0.201 0.000 1.271 340 P CA -0.326 62.846 63.100 0.121 0.000 0.795 340 P CB 0.453 32.208 31.700 0.091 0.000 1.101 341 E N 0.478 120.767 120.200 0.148 0.000 2.437 341 E HA 0.143 4.493 4.350 -0.000 0.000 0.263 341 E C 0.301 177.082 176.600 0.303 0.000 1.030 341 E CA 0.242 56.747 56.400 0.176 0.000 0.934 341 E CB 0.334 30.108 29.700 0.124 0.000 0.943 341 E HN 0.276 nan 8.360 nan 0.000 0.444 342 R N 1.313 122.102 120.500 0.482 0.000 2.808 342 R HA 0.396 4.736 4.340 -0.000 0.000 0.272 342 R C -0.634 175.830 176.300 0.274 0.000 0.995 342 R CA -1.111 55.160 56.100 0.286 0.000 0.917 342 R CB 1.909 32.303 30.300 0.156 0.000 1.217 342 R HN 0.459 nan 8.270 nan 0.000 0.471 343 R N 2.502 123.133 120.500 0.218 0.000 2.207 343 R HA 0.406 4.746 4.340 -0.000 0.000 0.334 343 R C -0.819 175.567 176.300 0.143 0.000 1.013 343 R CA -0.214 56.042 56.100 0.261 0.000 0.858 343 R CB 0.416 30.867 30.300 0.253 0.000 1.094 343 R HN 0.521 nan 8.270 nan 0.000 0.457 344 I N 5.981 126.594 120.570 0.072 0.000 2.433 344 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 344 I C -0.308 175.780 176.117 -0.049 0.000 1.001 344 I CA -0.991 60.314 61.300 0.008 0.000 1.119 344 I CB 1.832 39.824 38.000 -0.013 0.000 1.289 344 I HN 0.432 nan 8.210 nan 0.000 0.438 345 L N 4.989 126.210 121.223 -0.004 0.000 2.334 345 L HA 0.637 4.977 4.340 -0.000 0.000 0.276 345 L C 0.159 177.059 176.870 0.050 0.000 1.014 345 L CA -0.439 54.386 54.840 -0.025 0.000 0.815 345 L CB 1.984 44.038 42.059 -0.008 0.000 1.268 345 L HN 0.668 nan 8.230 nan 0.000 0.428 346 T N -2.096 112.523 114.554 0.107 0.000 2.916 346 T HA 0.517 4.867 4.350 -0.000 0.000 0.292 346 T C 0.547 175.432 174.700 0.309 0.000 1.064 346 T CA -0.280 61.969 62.100 0.248 0.000 1.011 346 T CB 2.001 71.110 68.868 0.401 0.000 1.152 346 T HN 0.662 nan 8.240 nan 0.000 0.510 347 G N 0.044 109.048 108.800 0.339 0.000 3.448 347 G HA2 0.210 4.170 3.960 -0.000 0.000 0.261 347 G HA3 0.210 4.170 3.960 -0.000 0.000 0.261 347 G C -0.069 175.099 174.900 0.447 0.000 1.173 347 G CA -0.473 44.910 45.100 0.471 0.000 0.835 347 G HN 0.761 nan 8.290 nan 0.000 0.534 348 Y N 0.753 121.226 120.300 0.288 0.000 2.550 348 Y HA 0.337 4.887 4.550 -0.000 0.000 0.343 348 Y C 1.470 177.455 175.900 0.142 0.000 1.245 348 Y CA 1.031 59.209 58.100 0.129 0.000 1.462 348 Y CB 0.981 39.397 38.460 -0.074 0.000 1.340 348 Y HN 0.291 nan 8.280 nan 0.000 0.604 349 G N 2.536 110.583 108.800 -1.255 0.000 2.184 349 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.264 349 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.264 349 G C 1.059 175.917 174.900 -0.069 0.000 0.975 349 G CA 0.595 45.205 45.100 -0.817 0.000 0.642 349 G HN 1.429 nan 8.290 nan 0.000 0.536 350 A N 0.200 122.861 122.820 -0.266 0.000 1.972 350 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 350 A C 1.989 179.430 177.584 -0.238 0.000 1.169 350 A CA 2.188 53.950 52.037 -0.459 0.000 0.635 350 A CB -0.315 18.021 19.000 -1.107 0.000 0.810 350 A HN 0.419 nan 8.150 nan 0.000 0.446 351 D N 0.130 120.421 120.400 -0.183 0.000 2.178 351 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 351 D C 1.867 178.146 176.300 -0.035 0.000 0.980 351 D CA 1.037 54.979 54.000 -0.096 0.000 0.842 351 D CB -0.261 40.492 40.800 -0.077 0.000 0.948 351 D HN 0.564 nan 8.370 nan 0.000 0.472 352 I N 1.752 122.323 120.570 0.003 0.000 2.113 352 I HA -0.191 3.979 4.170 -0.000 0.000 0.238 352 I C -0.470 175.677 176.117 0.049 0.000 1.070 352 I CA 1.213 62.565 61.300 0.086 0.000 1.332 352 I CB -1.626 36.535 38.000 0.269 0.000 1.044 352 I HN 0.035 nan 8.210 nan 0.000 0.402 353 P HA -0.076 nan 4.420 nan 0.000 0.225 353 P C 1.643 178.919 177.300 -0.040 0.000 1.156 353 P CA 1.387 64.451 63.100 -0.060 0.000 0.787 353 P CB 0.115 31.720 31.700 -0.158 0.000 0.802 354 L N -1.278 119.920 121.223 -0.041 0.000 2.607 354 L HA 0.304 4.644 4.340 -0.000 0.000 0.228 354 L C 1.226 178.090 176.870 -0.010 0.000 1.123 354 L CA 0.441 55.264 54.840 -0.029 0.000 0.890 354 L CB -0.880 41.148 42.059 -0.050 0.000 1.103 354 L HN 0.040 nan 8.230 nan 0.000 0.468 355 G N 0.604 109.403 108.800 -0.002 0.000 2.323 355 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.292 355 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.292 355 G C 0.976 175.909 174.900 0.056 0.000 1.040 355 G CA 0.276 45.389 45.100 0.023 0.000 0.942 355 G HN 0.497 nan 8.290 nan 0.000 0.506 356 G N -0.441 108.373 108.800 0.023 0.000 2.462 356 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.220 356 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.220 356 G C 1.550 176.478 174.900 0.045 0.000 1.121 356 G CA 1.270 46.384 45.100 0.022 0.000 0.758 356 G HN 0.510 nan 8.290 nan 0.000 0.559 357 M N 0.771 120.403 119.600 0.054 0.000 2.628 357 M HA 0.136 4.616 4.480 -0.000 0.000 0.232 357 M C 0.431 176.777 176.300 0.077 0.000 1.128 357 M CA -0.013 55.318 55.300 0.052 0.000 1.040 357 M CB -0.728 31.897 32.600 0.042 0.000 1.608 357 M HN 0.227 nan 8.290 nan 0.000 0.507 358 H N 1.426 120.500 119.070 0.008 0.000 2.620 358 H HA 0.186 4.742 4.556 -0.000 0.000 0.313 358 H C 0.420 175.754 175.328 0.009 0.000 1.075 358 H CA 0.156 56.209 56.048 0.009 0.000 1.397 358 H CB 1.038 30.806 29.762 0.010 0.000 1.446 358 H HN 0.078 nan 8.280 nan 0.000 0.493 359 R N 2.736 123.007 120.500 -0.381 0.000 2.142 359 R HA 0.011 4.351 4.340 -0.000 0.000 0.204 359 R C 0.681 176.825 176.300 -0.259 0.000 1.059 359 R CA 0.151 56.111 56.100 -0.232 0.000 1.055 359 R CB 0.006 30.217 30.300 -0.149 0.000 0.976 359 R HN 0.730 nan 8.270 nan 0.000 0.483 360 E N 1.549 121.488 120.200 -0.434 0.000 2.391 360 E HA -0.004 4.346 4.350 -0.000 0.000 0.255 360 E C -0.529 176.047 176.600 -0.040 0.000 1.187 360 E CA 0.112 56.387 56.400 -0.208 0.000 0.941 360 E CB 0.523 30.127 29.700 -0.160 0.000 1.010 360 E HN -0.050 nan 8.360 nan 0.000 0.458 361 D N -0.749 119.669 120.400 0.030 0.000 2.350 361 D HA 0.021 4.661 4.640 -0.000 0.000 0.213 361 D C -0.138 176.222 176.300 0.100 0.000 1.031 361 D CA 0.121 54.163 54.000 0.072 0.000 0.861 361 D CB 0.294 41.108 40.800 0.023 0.000 0.926 361 D HN 0.016 nan 8.370 nan 0.000 0.520 362 R N 1.369 121.942 120.500 0.121 0.000 2.351 362 R HA 0.148 4.488 4.340 -0.000 0.000 0.318 362 R C 1.117 177.496 176.300 0.133 0.000 1.055 362 R CA -0.027 56.132 56.100 0.098 0.000 0.968 362 R CB 0.555 30.901 30.300 0.076 0.000 0.974 362 R HN 0.263 nan 8.270 nan 0.000 0.439 363 L N 4.635 125.873 121.223 0.024 0.000 2.141 363 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 363 L C -0.692 176.122 176.870 -0.093 0.000 1.094 363 L CA 0.932 55.731 54.840 -0.069 0.000 0.763 363 L CB -1.256 40.764 42.059 -0.066 0.000 0.908 363 L HN 0.353 nan 8.230 nan 0.000 0.437 364 P HA -0.238 nan 4.420 nan 0.000 0.215 364 P C 1.622 178.908 177.300 -0.023 0.000 1.163 364 P CA 1.997 65.084 63.100 -0.022 0.000 0.894 364 P CB 0.003 31.704 31.700 0.002 0.000 0.791 365 A N -0.927 121.914 122.820 0.035 0.000 1.978 365 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 365 A C 2.239 179.809 177.584 -0.023 0.000 1.170 365 A CA 1.421 53.505 52.037 0.080 0.000 0.636 365 A CB -1.700 17.438 19.000 0.230 0.000 0.810 365 A HN 0.183 nan 8.150 nan 0.000 0.448 366 L N -0.689 120.322 121.223 -0.352 0.000 1.994 366 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 366 L C 1.947 178.713 176.870 -0.173 0.000 1.071 366 L CA 2.157 56.694 54.840 -0.506 0.000 0.745 366 L CB -0.375 41.229 42.059 -0.757 0.000 0.892 366 L HN 0.319 nan 8.230 nan 0.000 0.431 367 D N -1.002 119.323 120.400 -0.125 0.000 2.178 367 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 367 D C 2.061 178.355 176.300 -0.011 0.000 0.974 367 D CA 1.622 55.589 54.000 -0.054 0.000 0.841 367 D CB 0.063 40.835 40.800 -0.046 0.000 0.953 367 D HN 0.391 nan 8.370 nan 0.000 0.478 368 T N 0.498 115.049 114.554 -0.006 0.000 2.708 368 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 368 T C 2.248 176.984 174.700 0.059 0.000 1.037 368 T CA 0.749 62.863 62.100 0.023 0.000 1.146 368 T CB -0.203 68.673 68.868 0.014 0.000 0.865 368 T HN -0.023 nan 8.240 nan 0.000 0.435 369 V N 1.684 121.632 119.914 0.056 0.000 2.427 369 V HA -0.079 4.041 4.120 -0.000 0.000 0.248 369 V C 2.366 178.536 176.094 0.126 0.000 1.051 369 V CA 1.142 63.501 62.300 0.099 0.000 1.048 369 V CB -0.705 31.173 31.823 0.092 0.000 0.666 369 V HN 0.329 nan 8.190 nan 0.000 0.456 370 L N 1.452 122.718 121.223 0.072 0.000 1.994 370 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 370 L C 2.471 179.394 176.870 0.088 0.000 1.071 370 L CA 2.571 57.451 54.840 0.066 0.000 0.745 370 L CB -1.169 40.901 42.059 0.018 0.000 0.892 370 L HN 0.193 nan 8.230 nan 0.000 0.431 371 A N -1.340 121.525 122.820 0.076 0.000 1.908 371 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 371 A C 2.313 179.962 177.584 0.109 0.000 1.181 371 A CA 1.948 54.031 52.037 0.075 0.000 0.627 371 A CB -1.161 17.872 19.000 0.055 0.000 0.818 371 A HN 0.797 nan 8.150 nan 0.000 0.445 372 H N 0.014 119.115 119.070 0.051 0.000 2.326 372 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 372 H C 1.557 176.940 175.328 0.093 0.000 1.081 372 H CA 1.938 58.020 56.048 0.057 0.000 1.334 372 H CB -0.106 29.682 29.762 0.044 0.000 1.385 372 H HN 0.386 nan 8.280 nan 0.000 0.504 373 D N -0.002 120.464 120.400 0.110 0.000 2.117 373 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 373 D C 1.976 178.401 176.300 0.209 0.000 0.987 373 D CA 0.992 55.061 54.000 0.114 0.000 0.829 373 D CB -0.133 40.772 40.800 0.174 0.000 0.961 373 D HN 0.399 nan 8.370 nan 0.000 0.460 374 M N 0.140 119.876 119.600 0.226 0.000 2.374 374 M HA 0.014 4.493 4.480 -0.000 0.000 0.264 374 M C 1.772 178.283 176.300 0.352 0.000 1.067 374 M CA 0.452 55.976 55.300 0.373 0.000 1.103 374 M CB -0.738 31.989 32.600 0.213 0.000 1.402 374 M HN -0.068 nan 8.290 nan 0.000 0.444 375 A N -0.453 122.427 122.820 0.101 0.000 2.308 375 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 375 A C 1.504 179.004 177.584 -0.140 0.000 1.216 375 A CA 0.954 52.977 52.037 -0.023 0.000 0.864 375 A CB -0.521 18.452 19.000 -0.045 0.000 0.902 375 A HN 0.498 nan 8.150 nan 0.000 0.499 376 T N -4.027 110.449 114.554 -0.130 0.000 3.262 376 T HA 0.179 4.529 4.350 -0.000 0.000 0.300 376 T C 0.965 175.610 174.700 -0.092 0.000 0.959 376 T CA 0.318 62.308 62.100 -0.183 0.000 0.936 376 T CB -1.051 67.646 68.868 -0.286 0.000 1.169 376 T HN 0.414 nan 8.240 nan 0.000 0.532 377 F N 1.198 121.163 119.950 0.025 0.000 2.259 377 F HA 0.310 4.837 4.527 -0.000 0.000 0.298 377 F C 0.505 176.303 175.800 -0.003 0.000 1.088 377 F CA -0.533 57.483 58.000 0.026 0.000 1.358 377 F CB -0.716 38.361 39.000 0.128 0.000 1.040 377 F HN 0.036 nan 8.300 nan 0.000 0.505 378 D N 0.960 120.937 120.400 -0.706 0.000 2.434 378 D HA 0.334 4.974 4.640 -0.000 0.000 0.252 378 D C 1.251 177.449 176.300 -0.170 0.000 1.185 378 D CA 1.343 55.087 54.000 -0.427 0.000 0.886 378 D CB 0.671 41.137 40.800 -0.557 0.000 1.148 378 D HN 0.607 nan 8.370 nan 0.000 0.483 379 G N 2.965 111.718 108.800 -0.077 0.000 2.238 379 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 379 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 379 G C 1.249 176.140 174.900 -0.015 0.000 0.996 379 G CA 0.265 45.337 45.100 -0.047 0.000 0.632 379 G HN 0.508 nan 8.290 nan 0.000 0.503 380 L N 0.111 121.328 121.223 -0.010 0.000 2.240 380 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 380 L C 1.495 178.355 176.870 -0.018 0.000 1.106 380 L CA 0.990 55.824 54.840 -0.010 0.000 0.793 380 L CB -0.429 41.624 42.059 -0.010 0.000 0.927 380 L HN 0.305 nan 8.230 nan 0.000 0.446 381 N N 0.180 118.864 118.700 -0.026 0.000 2.714 381 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 381 N C 0.771 176.215 175.510 -0.111 0.000 1.117 381 N CA 1.060 54.081 53.050 -0.049 0.000 0.719 381 N CB -1.218 37.271 38.487 0.003 0.000 1.081 381 N HN 0.537 nan 8.380 nan 0.000 0.557 382 E N -0.212 119.886 120.200 -0.170 0.000 2.204 382 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 382 E C 1.224 177.515 176.600 -0.515 0.000 0.990 382 E CA 0.973 57.190 56.400 -0.304 0.000 0.821 382 E CB -0.038 29.453 29.700 -0.348 0.000 0.750 382 E HN 0.551 nan 8.360 nan 0.000 0.477 383 M N 0.500 119.830 119.600 -0.449 0.000 2.419 383 M HA 0.096 4.576 4.480 -0.000 0.000 0.252 383 M C 0.624 176.821 176.300 -0.172 0.000 1.143 383 M CA -0.275 54.761 55.300 -0.439 0.000 0.985 383 M CB 0.848 33.231 32.600 -0.362 0.000 1.489 383 M HN -0.169 nan 8.290 nan 0.000 0.484 384 S N 2.573 118.178 115.700 -0.158 0.000 2.558 384 S HA 0.032 4.502 4.470 -0.000 0.000 0.293 384 S C -1.127 173.380 174.600 -0.154 0.000 1.292 384 S CA -1.000 57.127 58.200 -0.120 0.000 1.063 384 S CB 0.595 63.741 63.200 -0.089 0.000 0.831 384 S HN 0.230 nan 8.310 nan 0.000 0.499 385 P HA -0.051 nan 4.420 nan 0.000 0.223 385 P C 1.416 178.559 177.300 -0.262 0.000 1.151 385 P CA 0.711 63.631 63.100 -0.300 0.000 0.787 385 P CB -0.119 31.447 31.700 -0.225 0.000 0.788 386 V N 0.022 119.823 119.914 -0.189 0.000 2.568 386 V HA -0.214 3.906 4.120 -0.000 0.000 0.253 386 V C 2.539 178.534 176.094 -0.166 0.000 1.072 386 V CA 1.314 63.498 62.300 -0.193 0.000 1.084 386 V CB -1.351 30.364 31.823 -0.180 0.000 0.676 386 V HN 0.005 nan 8.190 nan 0.000 0.469 387 L N 1.072 122.214 121.223 -0.135 0.000 2.187 387 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 387 L C 2.459 179.280 176.870 -0.081 0.000 1.100 387 L CA 2.393 57.209 54.840 -0.041 0.000 0.765 387 L CB -1.016 41.049 42.059 0.011 0.000 0.904 387 L HN 0.643 nan 8.230 nan 0.000 0.437 388 S N -3.425 112.060 115.700 -0.358 0.000 2.539 388 S HA -0.028 4.442 4.470 -0.000 0.000 0.226 388 S C 1.776 176.185 174.600 -0.317 0.000 1.054 388 S CA 0.426 58.283 58.200 -0.572 0.000 0.910 388 S CB -0.481 62.042 63.200 -1.129 0.000 0.818 388 S HN 0.443 nan 8.310 nan 0.000 0.490 389 T N 1.942 116.282 114.554 -0.357 0.000 3.072 389 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 389 T C 1.702 176.256 174.700 -0.245 0.000 1.127 389 T CA 0.918 62.752 62.100 -0.443 0.000 1.107 389 T CB -0.903 67.552 68.868 -0.688 0.000 0.910 389 T HN 0.486 nan 8.240 nan 0.000 0.513 390 L N -0.464 120.681 121.223 -0.131 0.000 2.362 390 L HA 0.479 4.819 4.340 -0.000 0.000 0.219 390 L C 2.153 179.053 176.870 0.050 0.000 1.134 390 L CA 1.251 56.091 54.840 -0.000 0.000 0.807 390 L CB -0.808 41.303 42.059 0.087 0.000 0.927 390 L HN 0.234 nan 8.230 nan 0.000 0.447 391 A N -0.706 122.104 122.820 -0.017 0.000 2.503 391 A HA 0.610 4.930 4.320 -0.000 0.000 0.263 391 A C 1.671 179.091 177.584 -0.274 0.000 1.258 391 A CA 0.261 52.277 52.037 -0.035 0.000 0.936 391 A CB -0.443 18.623 19.000 0.111 0.000 1.070 391 A HN 0.751 nan 8.150 nan 0.000 0.522 392 G N -0.458 108.192 108.800 -0.249 0.000 2.179 392 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 392 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 392 G C 0.047 174.751 174.900 -0.327 0.000 0.977 392 G CA 0.380 45.326 45.100 -0.256 0.000 0.641 392 G HN 0.669 nan 8.290 nan 0.000 0.533 393 H N -1.062 117.949 119.070 -0.099 0.000 2.472 393 H HA 0.443 4.999 4.556 -0.000 0.000 0.335 393 H C -0.321 174.921 175.328 -0.143 0.000 1.136 393 H CA -0.521 55.485 56.048 -0.070 0.000 1.264 393 H CB 1.227 30.930 29.762 -0.099 0.000 1.486 393 H HN 0.357 nan 8.280 nan 0.000 0.517 394 W N 4.073 125.345 121.300 -0.046 0.000 2.429 394 W HA 0.272 4.932 4.660 -0.000 0.000 0.314 394 W C -0.867 175.592 176.519 -0.101 0.000 1.062 394 W CA -0.719 56.572 57.345 -0.089 0.000 1.211 394 W CB 1.500 31.051 29.460 0.151 0.000 1.305 394 W HN 0.574 nan 8.180 nan 0.000 0.476 395 T N 2.488 116.478 114.554 -0.940 0.000 2.885 395 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 395 T C -0.627 173.345 174.700 -1.212 0.000 1.019 395 T CA -0.563 61.015 62.100 -0.869 0.000 1.010 395 T CB 2.298 70.778 68.868 -0.646 0.000 1.022 395 T HN 0.379 nan 8.240 nan 0.000 0.466 396 T N 0.773 114.795 114.554 -0.888 0.000 2.916 396 T HA 0.447 4.797 4.350 -0.000 0.000 0.305 396 T C -1.844 172.421 174.700 -0.725 0.000 1.119 396 T CA -0.759 60.919 62.100 -0.702 0.000 1.008 396 T CB 1.067 69.842 68.868 -0.156 0.000 1.129 396 T HN 0.772 nan 8.240 nan 0.000 0.480 397 H N 3.874 122.942 119.070 -0.003 0.000 2.887 397 H HA 0.264 4.820 4.556 -0.000 0.000 0.300 397 H C -2.240 173.128 175.328 0.066 0.000 1.038 397 H CA -1.757 54.337 56.048 0.078 0.000 1.352 397 H CB 1.669 31.544 29.762 0.188 0.000 1.473 397 H HN 0.395 nan 8.280 nan 0.000 0.503 398 P HA -0.195 nan 4.420 nan 0.000 0.216 398 P C 1.028 178.262 177.300 -0.110 0.000 1.150 398 P CA 1.370 64.383 63.100 -0.145 0.000 0.843 398 P CB 0.076 31.592 31.700 -0.306 0.000 0.787 399 Y N -3.409 116.990 120.300 0.165 0.000 2.421 399 Y HA -0.093 4.457 4.550 -0.000 0.000 0.292 399 Y C 1.460 177.425 175.900 0.108 0.000 1.136 399 Y CA 0.695 58.875 58.100 0.132 0.000 1.255 399 Y CB -0.948 37.610 38.460 0.164 0.000 0.991 399 Y HN 0.038 nan 8.280 nan 0.000 0.552 400 W N 0.742 122.122 121.300 0.132 0.000 3.194 400 W HA 0.180 4.840 4.660 -0.000 0.000 0.408 400 W C 0.100 176.702 176.519 0.139 0.000 1.072 400 W CA -1.142 56.257 57.345 0.090 0.000 1.953 400 W CB -0.512 28.977 29.460 0.049 0.000 1.091 400 W HN -0.105 nan 8.180 nan 0.000 0.699 401 D N -0.120 120.372 120.400 0.153 0.000 2.443 401 D HA -0.025 4.615 4.640 -0.000 0.000 0.239 401 D C 1.856 178.087 176.300 -0.115 0.000 1.136 401 D CA 0.293 54.330 54.000 0.061 0.000 0.879 401 D CB 1.090 41.858 40.800 -0.053 0.000 1.195 401 D HN -0.047 nan 8.370 nan 0.000 0.443 402 R N 1.723 121.969 120.500 -0.424 0.000 2.091 402 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 402 R C 1.320 177.429 176.300 -0.319 0.000 1.136 402 R CA 1.423 57.022 56.100 -0.837 0.000 0.959 402 R CB 0.040 29.732 30.300 -1.014 0.000 0.856 402 R HN 0.594 nan 8.270 nan 0.000 0.437 403 E N -0.086 120.009 120.200 -0.174 0.000 2.072 403 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 403 E C 2.141 178.704 176.600 -0.063 0.000 0.982 403 E CA 0.994 57.347 56.400 -0.079 0.000 0.803 403 E CB -0.337 29.334 29.700 -0.048 0.000 0.755 403 E HN 0.202 nan 8.360 nan 0.000 0.453 404 V N 1.692 121.560 119.914 -0.075 0.000 2.358 404 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 404 V C 2.458 178.509 176.094 -0.072 0.000 1.047 404 V CA 1.334 63.602 62.300 -0.054 0.000 1.035 404 V CB -0.534 31.259 31.823 -0.050 0.000 0.658 404 V HN 0.135 nan 8.190 nan 0.000 0.452 405 L N 0.434 121.573 121.223 -0.140 0.000 1.989 405 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 405 L C 2.158 178.972 176.870 -0.094 0.000 1.071 405 L CA 2.137 56.836 54.840 -0.235 0.000 0.749 405 L CB -0.993 40.831 42.059 -0.392 0.000 0.890 405 L HN 0.299 nan 8.230 nan 0.000 0.431 406 D N -0.725 119.678 120.400 0.005 0.000 2.123 406 D HA -0.214 4.426 4.640 -0.000 0.000 0.196 406 D C 2.173 178.486 176.300 0.021 0.000 0.992 406 D CA 1.628 55.678 54.000 0.082 0.000 0.833 406 D CB -0.231 40.644 40.800 0.125 0.000 0.954 406 D HN 0.328 nan 8.370 nan 0.000 0.455 407 L N 0.608 121.832 121.223 0.001 0.000 2.005 407 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 407 L C 2.259 179.126 176.870 -0.004 0.000 1.072 407 L CA 1.390 56.231 54.840 0.001 0.000 0.744 407 L CB -0.577 41.483 42.059 0.001 0.000 0.895 407 L HN 0.010 nan 8.230 nan 0.000 0.433 408 L N -1.567 119.645 121.223 -0.018 0.000 2.046 408 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 408 L C 2.478 179.329 176.870 -0.031 0.000 1.077 408 L CA 1.206 56.033 54.840 -0.021 0.000 0.747 408 L CB -0.819 41.219 42.059 -0.035 0.000 0.896 408 L HN 0.145 nan 8.230 nan 0.000 0.432 409 V N 0.140 120.024 119.914 -0.049 0.000 2.343 409 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 409 V C 2.751 178.832 176.094 -0.021 0.000 1.051 409 V CA 2.111 64.387 62.300 -0.040 0.000 1.036 409 V CB -0.578 31.223 31.823 -0.037 0.000 0.654 409 V HN 0.654 nan 8.190 nan 0.000 0.451 410 S N -0.356 115.336 115.700 -0.012 0.000 2.423 410 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 410 S C 0.880 175.477 174.600 -0.004 0.000 1.014 410 S CA 0.389 58.584 58.200 -0.008 0.000 0.965 410 S CB -0.801 62.398 63.200 -0.002 0.000 0.785 410 S HN 0.464 nan 8.310 nan 0.000 0.495 411 L N 2.850 124.074 121.223 0.002 0.000 2.490 411 L HA 0.161 4.501 4.340 -0.000 0.000 0.274 411 L C 0.533 177.404 176.870 0.001 0.000 1.201 411 L CA -0.382 54.465 54.840 0.011 0.000 0.869 411 L CB -0.019 42.057 42.059 0.029 0.000 1.123 411 L HN 0.439 nan 8.230 nan 0.000 0.484 412 E N 2.144 122.343 120.200 -0.001 0.000 2.384 412 E HA 0.169 4.518 4.350 -0.000 0.000 0.266 412 E C 0.916 177.503 176.600 -0.022 0.000 1.012 412 E CA 0.179 56.569 56.400 -0.016 0.000 0.901 412 E CB 0.964 30.652 29.700 -0.020 0.000 0.967 412 E HN 0.595 nan 8.360 nan 0.000 0.435 413 A N 3.817 126.613 122.820 -0.039 0.000 2.009 413 A HA -0.250 4.070 4.320 -0.000 0.000 0.222 413 A C 2.089 179.640 177.584 -0.055 0.000 1.175 413 A CA 2.108 54.111 52.037 -0.057 0.000 0.651 413 A CB -1.420 17.528 19.000 -0.087 0.000 0.815 413 A HN 0.840 nan 8.150 nan 0.000 0.459 414 G N -1.071 107.691 108.800 -0.064 0.000 2.559 414 G HA2 0.033 3.993 3.960 -0.000 0.000 0.216 414 G HA3 0.033 3.993 3.960 -0.000 0.000 0.216 414 G C 1.294 176.128 174.900 -0.111 0.000 1.126 414 G CA 0.817 45.857 45.100 -0.101 0.000 0.778 414 G HN 0.491 nan 8.290 nan 0.000 0.543 415 L N -0.994 120.217 121.223 -0.021 0.000 2.529 415 L HA 0.222 4.561 4.340 -0.000 0.000 0.223 415 L C 2.508 179.504 176.870 0.211 0.000 1.113 415 L CA 0.364 55.261 54.840 0.095 0.000 0.861 415 L CB 0.167 42.307 42.059 0.135 0.000 1.012 415 L HN 0.141 nan 8.230 nan 0.000 0.461 416 K N 0.054 120.516 120.400 0.103 0.000 2.244 416 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 416 K C 0.781 177.456 176.600 0.126 0.000 1.052 416 K CA 0.133 56.488 56.287 0.114 0.000 0.980 416 K CB 0.366 32.888 32.500 0.037 0.000 0.838 416 K HN -0.106 nan 8.250 nan 0.000 0.481 417 R N 1.842 122.375 120.500 0.055 0.000 2.396 417 R HA 0.253 4.593 4.340 -0.000 0.000 0.292 417 R C -1.365 174.903 176.300 -0.054 0.000 1.240 417 R CA -0.336 55.794 56.100 0.050 0.000 1.270 417 R CB 0.215 30.547 30.300 0.052 0.000 1.108 417 R HN -0.081 nan 8.270 nan 0.000 0.573 418 R N 1.490 121.931 120.500 -0.097 0.000 2.795 418 R HA 0.311 4.651 4.340 -0.000 0.000 0.275 418 R C -0.538 175.534 176.300 -0.380 0.000 0.981 418 R CA -0.687 55.131 56.100 -0.469 0.000 0.917 418 R CB 0.926 30.631 30.300 -0.992 0.000 1.202 418 R HN 0.738 nan 8.270 nan 0.000 0.469 419 H N 1.271 120.181 119.070 -0.267 0.000 2.822 419 H HA -0.183 4.373 4.556 -0.000 0.000 0.295 419 H C 0.718 176.033 175.328 -0.021 0.000 1.151 419 H CA 1.411 57.378 56.048 -0.136 0.000 1.151 419 H CB -1.343 28.346 29.762 -0.122 0.000 1.343 419 H HN 1.069 nan 8.280 nan 0.000 0.382 420 G N -0.047 108.782 108.800 0.049 0.000 2.160 420 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.251 420 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.251 420 G C 0.201 175.161 174.900 0.100 0.000 1.008 420 G CA 0.625 45.763 45.100 0.064 0.000 0.724 420 G HN 0.652 nan 8.290 nan 0.000 0.514 421 R N 0.435 121.023 120.500 0.147 0.000 2.686 421 R HA 0.495 4.835 4.340 -0.000 0.000 0.283 421 R C -0.501 175.909 176.300 0.183 0.000 0.978 421 R CA -0.705 55.503 56.100 0.180 0.000 0.897 421 R CB 1.593 32.056 30.300 0.272 0.000 1.192 421 R HN 0.358 nan 8.270 nan 0.000 0.457 422 D N 1.943 122.424 120.400 0.134 0.000 2.313 422 D HA 0.064 4.704 4.640 -0.000 0.000 0.247 422 D C -0.408 175.961 176.300 0.115 0.000 1.094 422 D CA -0.454 53.617 54.000 0.120 0.000 0.925 422 D CB 0.942 41.792 40.800 0.083 0.000 1.188 422 D HN 0.467 nan 8.370 nan 0.000 0.430 423 K N -0.111 120.348 120.400 0.097 0.000 3.035 423 K HA -0.245 4.075 4.320 -0.000 0.000 0.262 423 K C 0.530 177.178 176.600 0.081 0.000 1.024 423 K CA 0.548 56.870 56.287 0.058 0.000 0.748 423 K CB -1.694 30.798 32.500 -0.012 0.000 1.247 423 K HN 0.665 nan 8.250 nan 0.000 0.482 424 W N 0.624 121.931 121.300 0.013 0.000 2.302 424 W HA -0.313 4.347 4.660 -0.000 0.000 0.320 424 W C 2.006 178.546 176.519 0.035 0.000 1.241 424 W CA 2.219 59.584 57.345 0.033 0.000 1.264 424 W CB -0.595 28.890 29.460 0.041 0.000 1.154 424 W HN 0.142 nan 8.180 nan 0.000 0.483 425 V N 1.137 121.089 119.914 0.063 0.000 2.380 425 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 425 V C 2.172 178.099 176.094 -0.278 0.000 1.063 425 V CA 2.309 64.496 62.300 -0.189 0.000 1.055 425 V CB -0.801 31.087 31.823 0.108 0.000 0.657 425 V HN 0.319 nan 8.190 nan 0.000 0.455 426 L N 0.261 121.391 121.223 -0.155 0.000 2.072 426 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 426 L C 2.584 179.357 176.870 -0.162 0.000 1.079 426 L CA 1.870 56.647 54.840 -0.105 0.000 0.752 426 L CB -0.774 41.259 42.059 -0.044 0.000 0.906 426 L HN 0.244 nan 8.230 nan 0.000 0.436 427 R N -0.430 119.934 120.500 -0.227 0.000 2.073 427 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 427 R C 2.255 178.369 176.300 -0.309 0.000 1.134 427 R CA 1.405 57.370 56.100 -0.224 0.000 0.952 427 R CB -0.789 29.389 30.300 -0.203 0.000 0.850 427 R HN 0.494 nan 8.270 nan 0.000 0.433 428 A N 1.261 123.737 122.820 -0.573 0.000 1.933 428 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 428 A C 2.346 179.742 177.584 -0.313 0.000 1.175 428 A CA 1.614 53.320 52.037 -0.551 0.000 0.628 428 A CB -0.566 17.791 19.000 -1.073 0.000 0.814 428 A HN 0.412 nan 8.150 nan 0.000 0.444 429 A N -1.311 121.347 122.820 -0.270 0.000 2.015 429 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 429 A C 1.805 179.336 177.584 -0.089 0.000 1.163 429 A CA 1.707 53.660 52.037 -0.140 0.000 0.646 429 A CB -0.278 18.664 19.000 -0.096 0.000 0.806 429 A HN 0.415 nan 8.150 nan 0.000 0.448 430 M N -1.110 118.434 119.600 -0.093 0.000 2.356 430 M HA 0.324 4.804 4.480 -0.000 0.000 0.262 430 M C 1.930 178.190 176.300 -0.066 0.000 1.097 430 M CA 0.381 55.647 55.300 -0.056 0.000 0.991 430 M CB -1.017 31.563 32.600 -0.033 0.000 1.450 430 M HN 0.394 nan 8.290 nan 0.000 0.495 431 A N 1.811 124.577 122.820 -0.090 0.000 1.892 431 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 431 A C 1.626 179.180 177.584 -0.051 0.000 1.188 431 A CA 2.337 54.325 52.037 -0.081 0.000 0.631 431 A CB -0.783 18.165 19.000 -0.088 0.000 0.822 431 A HN 0.591 nan 8.150 nan 0.000 0.447 432 D N -0.764 119.618 120.400 -0.030 0.000 2.324 432 D HA 0.316 4.956 4.640 -0.000 0.000 0.235 432 D C 0.755 177.071 176.300 0.027 0.000 1.095 432 D CA 0.895 54.894 54.000 -0.001 0.000 0.871 432 D CB -0.039 40.762 40.800 0.001 0.000 0.906 432 D HN 0.373 nan 8.370 nan 0.000 0.522 433 A N -0.232 122.600 122.820 0.021 0.000 2.600 433 A HA 0.441 4.761 4.320 -0.000 0.000 0.252 433 A C 0.219 177.846 177.584 0.072 0.000 1.200 433 A CA -0.314 51.764 52.037 0.070 0.000 0.981 433 A CB 0.484 19.507 19.000 0.039 0.000 1.207 433 A HN 0.199 nan 8.150 nan 0.000 0.577 434 L N 0.397 121.561 121.223 -0.097 0.000 2.415 434 L HA 0.464 4.804 4.340 -0.000 0.000 0.256 434 L C -2.629 173.929 176.870 -0.521 0.000 1.010 434 L CA -2.425 52.197 54.840 -0.363 0.000 0.826 434 L CB 2.655 44.607 42.059 -0.178 0.000 1.405 434 L HN -0.055 nan 8.230 nan 0.000 0.410 435 P HA 0.036 nan 4.420 nan 0.000 0.269 435 P C 0.153 177.336 177.300 -0.195 0.000 1.209 435 P CA -0.135 62.729 63.100 -0.394 0.000 0.776 435 P CB 1.151 32.670 31.700 -0.302 0.000 0.876 436 A N 3.535 126.284 122.820 -0.119 0.000 1.917 436 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 436 A C 2.050 179.598 177.584 -0.061 0.000 1.182 436 A CA 2.229 54.222 52.037 -0.073 0.000 0.633 436 A CB -1.361 17.613 19.000 -0.044 0.000 0.819 436 A HN 0.736 nan 8.150 nan 0.000 0.448 437 E N -1.071 119.094 120.200 -0.058 0.000 2.118 437 E HA -0.177 4.172 4.350 -0.000 0.000 0.195 437 E C 1.750 178.322 176.600 -0.045 0.000 0.992 437 E CA 1.659 58.034 56.400 -0.042 0.000 0.804 437 E CB -0.874 28.806 29.700 -0.034 0.000 0.741 437 E HN 0.457 nan 8.360 nan 0.000 0.458 438 T N 0.907 115.419 114.554 -0.069 0.000 2.857 438 T HA -0.057 4.292 4.350 -0.000 0.000 0.266 438 T C 2.058 176.725 174.700 -0.054 0.000 1.048 438 T CA 1.160 63.222 62.100 -0.062 0.000 1.139 438 T CB -0.082 68.733 68.868 -0.088 0.000 0.874 438 T HN 0.039 nan 8.240 nan 0.000 0.455 439 V N 2.226 122.099 119.914 -0.068 0.000 2.358 439 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 439 V C 1.812 177.882 176.094 -0.040 0.000 1.047 439 V CA 1.601 63.863 62.300 -0.063 0.000 1.035 439 V CB -0.583 31.192 31.823 -0.079 0.000 0.658 439 V HN 0.453 nan 8.190 nan 0.000 0.452 440 N N -0.708 117.976 118.700 -0.026 0.000 2.353 440 N HA 0.054 4.794 4.740 -0.000 0.000 0.185 440 N C 0.892 176.405 175.510 0.004 0.000 1.098 440 N CA -0.041 53.009 53.050 -0.001 0.000 0.872 440 N CB -0.106 38.385 38.487 0.006 0.000 0.970 440 N HN 0.307 nan 8.380 nan 0.000 0.467 441 R N 2.631 123.127 120.500 -0.007 0.000 2.446 441 R HA 0.047 4.387 4.340 -0.000 0.000 0.325 441 R C -2.154 174.148 176.300 0.003 0.000 0.997 441 R CA -0.968 55.130 56.100 -0.003 0.000 1.010 441 R CB 0.308 30.602 30.300 -0.010 0.000 0.946 441 R HN 0.127 nan 8.270 nan 0.000 0.422 442 P HA 0.275 nan 4.420 nan 0.000 0.279 442 P C -1.046 176.259 177.300 0.008 0.000 1.282 442 P CA -0.340 62.768 63.100 0.013 0.000 0.788 442 P CB 1.226 32.936 31.700 0.017 0.000 1.139 455 S N 2.393 118.146 115.700 0.088 0.000 2.368 455 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 455 S C 1.615 176.288 174.600 0.122 0.000 1.030 455 S CA 1.334 59.585 58.200 0.086 0.000 0.999 455 S CB -0.536 62.707 63.200 0.072 0.000 0.844 455 S HN 0.711 nan 8.310 nan 0.000 0.459 456 F N 3.634 123.591 119.950 0.013 0.000 2.163 456 F HA 0.014 4.541 4.527 -0.000 0.000 0.297 456 F C 2.641 178.457 175.800 0.026 0.000 1.094 456 F CA 1.186 59.201 58.000 0.025 0.000 1.290 456 F CB -0.764 38.253 39.000 0.029 0.000 1.017 456 F HN 0.378 nan 8.300 nan 0.000 0.483 457 S N 0.101 115.779 115.700 -0.036 0.000 2.402 457 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 457 S C 2.234 176.766 174.600 -0.114 0.000 1.021 457 S CA 1.026 59.155 58.200 -0.120 0.000 0.974 457 S CB -0.721 62.469 63.200 -0.016 0.000 0.800 457 S HN 0.534 nan 8.310 nan 0.000 0.484 458 R N 0.310 120.772 120.500 -0.063 0.000 2.153 458 R HA 0.124 4.464 4.340 -0.000 0.000 0.218 458 R C 2.268 178.508 176.300 -0.100 0.000 1.072 458 R CA 0.840 56.900 56.100 -0.066 0.000 0.990 458 R CB -0.408 29.872 30.300 -0.034 0.000 0.889 458 R HN 0.444 nan 8.270 nan 0.000 0.452 459 L N 0.729 121.895 121.223 -0.094 0.000 1.989 459 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 459 L C 1.675 178.480 176.870 -0.108 0.000 1.071 459 L CA 1.769 56.560 54.840 -0.082 0.000 0.749 459 L CB -0.478 41.575 42.059 -0.010 0.000 0.890 459 L HN 0.188 nan 8.230 nan 0.000 0.431 460 L N -1.067 120.078 121.223 -0.130 0.000 2.141 460 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 460 L C 2.300 179.126 176.870 -0.072 0.000 1.094 460 L CA 1.055 55.864 54.840 -0.051 0.000 0.763 460 L CB -1.041 40.915 42.059 -0.171 0.000 0.908 460 L HN 0.279 nan 8.230 nan 0.000 0.437 461 L N -0.483 120.671 121.223 -0.116 0.000 2.187 461 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 461 L C 1.310 178.103 176.870 -0.129 0.000 1.100 461 L CA 1.652 56.434 54.840 -0.097 0.000 0.765 461 L CB -0.516 41.492 42.059 -0.085 0.000 0.904 461 L HN 0.290 nan 8.230 nan 0.000 0.437 462 D N -2.080 118.176 120.400 -0.240 0.000 2.370 462 D HA 0.040 4.680 4.640 -0.000 0.000 0.230 462 D C 0.844 176.835 176.300 -0.515 0.000 1.143 462 D CA 0.282 54.071 54.000 -0.352 0.000 0.834 462 D CB 0.207 40.757 40.800 -0.416 0.000 0.944 462 D HN 0.494 nan 8.370 nan 0.000 0.504 463 H N -1.416 117.630 119.070 -0.041 0.000 1.933 463 H HA 0.248 4.804 4.556 -0.000 0.000 0.174 463 H C 1.155 176.462 175.328 -0.034 0.000 0.918 463 H CA 0.336 56.362 56.048 -0.036 0.000 0.958 463 H CB 0.624 30.361 29.762 -0.042 0.000 1.056 463 H HN 0.086 nan 8.280 nan 0.000 0.350 464 G N 0.883 109.734 108.800 0.085 0.000 3.016 464 G HA2 0.489 4.449 3.960 -0.000 0.000 0.270 464 G HA3 0.489 4.449 3.960 -0.000 0.000 0.270 464 G C -0.574 174.327 174.900 0.002 0.000 1.352 464 G CA -0.402 44.717 45.100 0.032 0.000 1.060 464 G HN 0.022 nan 8.290 nan 0.000 0.538 465 V N 0.865 120.777 119.914 -0.003 0.000 2.811 465 V HA 0.341 4.461 4.120 -0.000 0.000 0.302 465 V C 1.831 177.916 176.094 -0.016 0.000 1.063 465 V CA 0.452 62.747 62.300 -0.010 0.000 1.088 465 V CB 1.023 32.842 31.823 -0.007 0.000 0.982 465 V HN 0.998 nan 8.190 nan 0.000 0.485 466 A N 2.241 125.050 122.820 -0.018 0.000 1.902 466 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 466 A C 0.873 178.447 177.584 -0.016 0.000 1.181 466 A CA 1.377 53.402 52.037 -0.020 0.000 0.623 466 A CB -0.534 18.455 19.000 -0.018 0.000 0.818 466 A HN 1.067 nan 8.150 nan 0.000 0.443 474 K N 0.550 120.979 120.400 0.048 0.000 2.283 474 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 474 K C 1.892 178.584 176.600 0.154 0.000 1.048 474 K CA 1.264 57.627 56.287 0.127 0.000 0.948 474 K CB -0.103 32.567 32.500 0.283 0.000 0.742 474 K HN 0.340 nan 8.250 nan 0.000 0.458 475 R N 1.443 122.000 120.500 0.094 0.000 2.112 475 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 475 R C 2.192 178.526 176.300 0.057 0.000 1.137 475 R CA 1.783 57.921 56.100 0.063 0.000 0.944 475 R CB -0.519 29.798 30.300 0.029 0.000 0.857 475 R HN 0.298 nan 8.270 nan 0.000 0.435 476 Q N -0.357 119.471 119.800 0.046 0.000 2.135 476 Q HA -0.147 4.192 4.340 -0.000 0.000 0.204 476 Q C 2.048 178.084 176.000 0.061 0.000 0.981 476 Q CA 1.693 57.520 55.803 0.039 0.000 0.856 476 Q CB -0.148 28.605 28.738 0.025 0.000 0.902 476 Q HN 0.186 nan 8.270 nan 0.000 0.425 477 V N -0.085 119.883 119.914 0.091 0.000 2.270 477 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 477 V C 2.189 178.366 176.094 0.138 0.000 1.043 477 V CA 1.510 63.885 62.300 0.126 0.000 1.014 477 V CB -0.535 31.411 31.823 0.204 0.000 0.645 477 V HN 0.183 nan 8.190 nan 0.000 0.447 478 V N 0.281 120.285 119.914 0.150 0.000 2.358 478 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 478 V C 2.633 178.801 176.094 0.124 0.000 1.047 478 V CA 2.144 64.517 62.300 0.122 0.000 1.035 478 V CB -0.842 31.037 31.823 0.094 0.000 0.658 478 V HN 0.474 nan 8.190 nan 0.000 0.452 479 R N 0.953 121.503 120.500 0.084 0.000 2.120 479 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 479 R C 2.083 178.461 176.300 0.129 0.000 1.123 479 R CA 1.931 58.075 56.100 0.073 0.000 0.975 479 R CB -0.639 29.667 30.300 0.009 0.000 0.866 479 R HN 0.555 nan 8.270 nan 0.000 0.446 480 E N 0.212 120.469 120.200 0.096 0.000 2.051 480 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 480 E C 1.902 178.552 176.600 0.082 0.000 0.991 480 E CA 1.693 58.139 56.400 0.077 0.000 0.799 480 E CB -0.350 29.382 29.700 0.052 0.000 0.748 480 E HN 0.446 nan 8.360 nan 0.000 0.449 481 L N -0.368 120.909 121.223 0.090 0.000 2.046 481 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 481 L C 2.409 179.325 176.870 0.076 0.000 1.077 481 L CA 1.311 56.185 54.840 0.056 0.000 0.747 481 L CB -0.589 41.506 42.059 0.059 0.000 0.896 481 L HN 0.166 nan 8.230 nan 0.000 0.432 482 F N 1.356 121.308 119.950 0.002 0.000 2.102 482 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 482 F C 2.266 178.065 175.800 -0.000 0.000 1.105 482 F CA 1.722 59.727 58.000 0.008 0.000 1.239 482 F CB -0.239 38.764 39.000 0.004 0.000 0.991 482 F HN 0.120 nan 8.300 nan 0.000 0.474 483 D N 0.392 120.944 120.400 0.254 0.000 2.218 483 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 483 D C 2.373 178.674 176.300 0.002 0.000 0.976 483 D CA 1.277 55.359 54.000 0.137 0.000 0.853 483 D CB -0.222 40.652 40.800 0.124 0.000 0.939 483 D HN 0.364 nan 8.370 nan 0.000 0.481 484 L N 0.462 121.671 121.223 -0.024 0.000 2.084 484 L HA -0.076 4.264 4.340 -0.000 0.000 0.202 484 L C 2.715 179.511 176.870 -0.123 0.000 1.074 484 L CA 1.398 56.197 54.840 -0.069 0.000 0.757 484 L CB -0.484 41.532 42.059 -0.072 0.000 0.918 484 L HN 0.076 nan 8.230 nan 0.000 0.444 485 T N -3.775 110.686 114.554 -0.154 0.000 2.976 485 T HA 0.015 4.364 4.350 -0.000 0.000 0.257 485 T C 1.628 176.292 174.700 -0.060 0.000 1.051 485 T CA 0.831 62.837 62.100 -0.156 0.000 1.141 485 T CB -0.254 68.502 68.868 -0.187 0.000 0.881 485 T HN 0.034 nan 8.240 nan 0.000 0.461 486 V N 1.365 121.081 119.914 -0.329 0.000 2.490 486 V HA 0.316 4.436 4.120 -0.000 0.000 0.238 486 V C 3.071 178.917 176.094 -0.413 0.000 1.056 486 V CA 1.224 63.196 62.300 -0.546 0.000 1.075 486 V CB -1.252 29.722 31.823 -1.414 0.000 0.746 486 V HN 0.566 nan 8.190 nan 0.000 0.479 487 G N 0.112 108.677 108.800 -0.392 0.000 2.402 487 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.216 487 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.216 487 G C 1.402 176.254 174.900 -0.079 0.000 1.162 487 G CA 1.079 46.112 45.100 -0.113 0.000 0.777 487 G HN 0.581 nan 8.290 nan 0.000 0.539 488 G N -0.261 108.490 108.800 -0.082 0.000 2.629 488 G HA2 0.374 4.334 3.960 -0.000 0.000 0.213 488 G HA3 0.374 4.334 3.960 -0.000 0.000 0.213 488 G C 0.995 175.854 174.900 -0.068 0.000 1.425 488 G CA 1.250 46.313 45.100 -0.061 0.000 0.929 488 G HN 1.429 nan 8.290 nan 0.000 0.527 489 G N -1.291 107.467 108.800 -0.070 0.000 3.584 489 G HA2 0.078 4.038 3.960 -0.000 0.000 0.223 489 G HA3 0.078 4.038 3.960 -0.000 0.000 0.223 489 G C 0.012 174.878 174.900 -0.057 0.000 0.932 489 G CA -0.592 44.478 45.100 -0.049 0.000 1.111 489 G HN 0.466 nan 8.290 nan 0.000 0.689 490 R N 0.313 120.749 120.500 -0.108 0.000 2.407 490 R HA 0.482 4.822 4.340 -0.000 0.000 0.303 490 R C -0.335 175.782 176.300 -0.306 0.000 0.981 490 R CA -0.893 55.118 56.100 -0.149 0.000 0.905 490 R CB 1.259 31.476 30.300 -0.139 0.000 1.099 490 R HN 0.370 nan 8.270 nan 0.000 0.459 491 H N 3.680 122.508 119.070 -0.403 0.000 2.815 491 H HA 0.051 4.607 4.556 -0.000 0.000 0.350 491 H C -1.581 173.286 175.328 -0.770 0.000 1.080 491 H CA -1.089 54.533 56.048 -0.709 0.000 1.433 491 H CB 1.209 30.689 29.762 -0.470 0.000 1.432 491 H HN 0.326 nan 8.280 nan 0.000 0.592 492 P HA -0.233 nan 4.420 nan 0.000 0.217 492 P C 1.324 178.275 177.300 -0.581 0.000 1.148 492 P CA 2.147 64.557 63.100 -1.149 0.000 0.828 492 P CB 0.080 30.555 31.700 -2.041 0.000 0.783 493 S N -0.764 114.775 115.700 -0.269 0.000 2.469 493 S HA -0.151 4.319 4.470 -0.000 0.000 0.238 493 S C 1.486 176.078 174.600 -0.014 0.000 0.998 493 S CA 1.021 59.260 58.200 0.066 0.000 0.957 493 S CB -0.991 62.343 63.200 0.224 0.000 0.764 493 S HN 0.308 nan 8.310 nan 0.000 0.514 494 E N 0.491 120.640 120.200 -0.084 0.000 2.474 494 E HA 0.208 4.558 4.350 -0.000 0.000 0.195 494 E C -0.748 175.798 176.600 -0.091 0.000 1.039 494 E CA -0.131 56.223 56.400 -0.077 0.000 0.881 494 E CB 0.718 30.369 29.700 -0.082 0.000 0.970 494 E HN 0.333 nan 8.360 nan 0.000 0.486 495 V N 2.291 122.132 119.914 -0.122 0.000 2.347 495 V HA 0.083 4.203 4.120 -0.000 0.000 0.280 495 V C -0.118 175.945 176.094 -0.051 0.000 1.021 495 V CA -0.853 61.386 62.300 -0.102 0.000 0.847 495 V CB 1.393 33.125 31.823 -0.153 0.000 0.990 495 V HN 0.066 nan 8.190 nan 0.000 0.444 496 D N 3.809 124.192 120.400 -0.029 0.000 2.374 496 D HA 0.082 4.722 4.640 -0.000 0.000 0.240 496 D C 1.320 177.624 176.300 0.006 0.000 1.229 496 D CA 0.069 54.066 54.000 -0.005 0.000 0.895 496 D CB 1.572 42.368 40.800 -0.007 0.000 1.046 496 D HN 0.610 nan 8.370 nan 0.000 0.498 497 T N 2.705 117.275 114.554 0.027 0.000 2.778 497 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 497 T C 1.210 175.940 174.700 0.050 0.000 1.050 497 T CA 0.940 63.071 62.100 0.052 0.000 1.137 497 T CB 0.198 69.115 68.868 0.082 0.000 0.860 497 T HN 0.475 nan 8.240 nan 0.000 0.468 498 D N 1.353 121.774 120.400 0.035 0.000 2.077 498 D HA -0.076 4.564 4.640 -0.000 0.000 0.196 498 D C 1.854 178.137 176.300 -0.028 0.000 0.986 498 D CA 1.238 55.247 54.000 0.015 0.000 0.829 498 D CB -0.400 40.413 40.800 0.021 0.000 0.983 498 D HN 0.352 nan 8.370 nan 0.000 0.453 499 D N 0.224 120.611 120.400 -0.021 0.000 2.182 499 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 499 D C 2.168 178.446 176.300 -0.036 0.000 0.986 499 D CA 0.397 54.377 54.000 -0.034 0.000 0.847 499 D CB 0.043 40.829 40.800 -0.023 0.000 0.942 499 D HN 0.030 nan 8.370 nan 0.000 0.467 500 V N 0.084 119.987 119.914 -0.018 0.000 2.270 500 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 500 V C 2.404 178.487 176.094 -0.017 0.000 1.043 500 V CA 1.103 63.399 62.300 -0.006 0.000 1.014 500 V CB -0.454 31.381 31.823 0.020 0.000 0.645 500 V HN 0.128 nan 8.190 nan 0.000 0.447 501 V N -0.109 119.789 119.914 -0.025 0.000 2.594 501 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 501 V C 2.542 178.543 176.094 -0.154 0.000 1.069 501 V CA 1.959 64.220 62.300 -0.065 0.000 1.082 501 V CB -0.880 30.908 31.823 -0.058 0.000 0.680 501 V HN 0.422 nan 8.190 nan 0.000 0.469 502 R N 0.685 121.085 120.500 -0.166 0.000 2.082 502 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 502 R C 2.697 178.933 176.300 -0.107 0.000 1.136 502 R CA 1.973 57.966 56.100 -0.179 0.000 0.935 502 R CB -1.031 29.195 30.300 -0.123 0.000 0.842 502 R HN 0.419 nan 8.270 nan 0.000 0.430 503 S N -0.801 114.859 115.700 -0.067 0.000 2.419 503 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 503 S C 0.560 175.138 174.600 -0.036 0.000 1.019 503 S CA 1.065 59.240 58.200 -0.042 0.000 0.982 503 S CB 0.008 63.192 63.200 -0.026 0.000 0.789 503 S HN 0.143 nan 8.310 nan 0.000 0.490 504 V N 2.155 122.043 119.914 -0.043 0.000 2.525 504 V HA 0.452 4.572 4.120 -0.000 0.000 0.326 504 V C 1.120 177.189 176.094 -0.041 0.000 1.477 504 V CA 0.176 62.458 62.300 -0.030 0.000 1.579 504 V CB -0.522 31.291 31.823 -0.016 0.000 1.489 504 V HN 0.476 nan 8.190 nan 0.000 0.541 505 A N 1.514 124.310 122.820 -0.040 0.000 1.864 505 A HA 0.153 4.473 4.320 -0.000 0.000 0.213 505 A C 0.859 178.436 177.584 -0.012 0.000 1.266 505 A CA 0.742 52.760 52.037 -0.030 0.000 0.612 505 A CB -0.113 18.868 19.000 -0.033 0.000 0.940 505 A HN 0.561 nan 8.150 nan 0.000 0.463 506 D N 0.000 120.393 120.400 -0.011 0.000 6.856 506 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 506 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 506 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 506 D HN 0.000 nan 8.370 nan 0.000 0.683