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 1hbn_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADKLFINALK KKFEESPEEK KTTFYTLGGW KQSERKTEFV NAGKEVAAKR DATA SEQUENCE GIPQYNPDIG TPLGQRVLMP YQVSTTDTYV EGDDLHFVNN AAMQQMWDDI DATA SEQUENCE RRTVIVGLNH AHAVIEKRLG KEVTPETITH YLETVNHAMP GAAVVQEHMV DATA SEQUENCE ETHPALVADS YVKVFTGNDE IADEIDPAFV IDINKQFPED QAETLKAEVG DATA SEQUENCE DGIWQVVRIP TIVSRTCDGA TTSRWSAMQI GMSMISAYKQ AAGEAATGDF DATA SEQUENCE AYAAKXAEVI HMGTYLPVRX ARGENEPGGV PFGYLADICQ SSRVNYEDPV DATA SEQUENCE RVSLDVVATG AMLYDQIWLG SYMSGGVGFT QYATAAYTDN ILDDFTYFGK DATA SEQUENCE EYVEDKYGLC EAPNNMDTVL DVATEVTFYG LEQYEEYPAL LEDQFGGSXR DATA SEQUENCE AAVVAAAAGC STAFATGNAQ TGLSGWYLSM YLHKEQHSRL GFYXYDLQDQ DATA SEQUENCE XGASNVFSIR GDEGLPLELR GPNYPNYAMN VGHQGEYAGI SQAPHAARGD DATA SEQUENCE AFVFNPLVKI AFADDNLVFD FTNVRGEFAK GALREFEPAG ERALITPA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.576 177.584 -0.013 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 3 D N 2.665 123.041 120.400 -0.039 0.000 2.423 3 D HA 0.351 5.006 4.640 0.025 0.000 0.238 3 D C -0.025 176.180 176.300 -0.159 0.000 1.142 3 D CA 0.218 54.166 54.000 -0.086 0.000 0.884 3 D CB 0.494 41.236 40.800 -0.097 0.000 1.199 3 D HN 0.189 nan 8.370 nan 0.000 0.438 4 K N 1.673 121.897 120.400 -0.293 0.000 2.336 4 K HA 0.054 4.390 4.320 0.025 0.000 0.262 4 K C 1.350 177.601 176.600 -0.582 0.000 0.992 4 K CA -0.106 55.864 56.287 -0.527 0.000 0.927 4 K CB 0.301 32.143 32.500 -1.096 0.000 0.956 4 K HN 0.392 nan 8.250 nan 0.000 0.495 5 L N 1.262 122.232 121.223 -0.421 0.000 2.376 5 L HA -0.097 4.258 4.340 0.025 0.000 0.219 5 L C 1.655 178.443 176.870 -0.137 0.000 1.133 5 L CA 0.854 55.584 54.840 -0.184 0.000 0.816 5 L CB -0.410 41.642 42.059 -0.012 0.000 0.933 5 L HN 0.559 nan 8.230 nan 0.000 0.449 6 F N -2.522 117.404 119.950 -0.040 0.000 2.789 6 F HA 0.163 4.705 4.527 0.024 0.000 0.300 6 F C 1.974 177.732 175.800 -0.069 0.000 1.132 6 F CA -0.262 57.701 58.000 -0.061 0.000 1.404 6 F CB -0.759 38.179 39.000 -0.103 0.000 1.114 6 F HN -0.154 nan 8.300 nan 0.000 0.584 7 I N 1.457 121.926 120.570 -0.168 0.000 2.226 7 I HA -0.244 3.942 4.170 0.025 0.000 0.245 7 I C 1.859 177.999 176.117 0.038 0.000 1.100 7 I CA 1.102 62.366 61.300 -0.061 0.000 1.374 7 I CB -1.197 36.700 38.000 -0.172 0.000 1.057 7 I HN 0.232 nan 8.210 nan 0.000 0.413 8 N N 1.374 120.096 118.700 0.037 0.000 2.104 8 N HA -0.127 4.628 4.740 0.025 0.000 0.190 8 N C 1.939 177.535 175.510 0.143 0.000 1.024 8 N CA 1.730 54.827 53.050 0.078 0.000 0.853 8 N CB -0.306 38.237 38.487 0.094 0.000 1.008 8 N HN 0.369 nan 8.380 nan 0.000 0.424 9 A N 1.054 123.994 122.820 0.199 0.000 1.902 9 A HA -0.053 4.282 4.320 0.025 0.000 0.217 9 A C 2.360 180.025 177.584 0.135 0.000 1.181 9 A CA 0.942 53.137 52.037 0.263 0.000 0.623 9 A CB -0.726 18.391 19.000 0.194 0.000 0.818 9 A HN 0.235 nan 8.150 nan 0.000 0.443 10 L N -0.779 120.521 121.223 0.129 0.000 2.083 10 L HA -0.194 4.161 4.340 0.025 0.000 0.209 10 L C 2.514 179.434 176.870 0.083 0.000 1.083 10 L CA 1.662 56.574 54.840 0.119 0.000 0.752 10 L CB -0.499 41.690 42.059 0.217 0.000 0.899 10 L HN 0.355 nan 8.230 nan 0.000 0.433 11 K N 0.014 120.458 120.400 0.073 0.000 2.147 11 K HA -0.197 4.139 4.320 0.025 0.000 0.205 11 K C 2.146 178.722 176.600 -0.039 0.000 1.049 11 K CA 0.930 57.242 56.287 0.040 0.000 0.936 11 K CB -0.056 32.461 32.500 0.028 0.000 0.722 11 K HN -0.035 nan 8.250 nan 0.000 0.446 12 K N 1.890 122.231 120.400 -0.098 0.000 2.148 12 K HA -0.079 4.256 4.320 0.025 0.000 0.204 12 K C 1.493 177.950 176.600 -0.238 0.000 1.050 12 K CA 1.497 57.650 56.287 -0.223 0.000 0.942 12 K CB 0.120 32.349 32.500 -0.452 0.000 0.724 12 K HN -0.003 nan 8.250 nan 0.000 0.446 13 K N -1.312 118.899 120.400 -0.315 0.000 2.116 13 K HA 0.053 4.388 4.320 0.025 0.000 0.203 13 K C -0.074 176.157 176.600 -0.616 0.000 1.052 13 K CA 0.722 56.634 56.287 -0.625 0.000 0.952 13 K CB 0.123 31.904 32.500 -1.199 0.000 0.729 13 K HN 0.003 nan 8.250 nan 0.000 0.446 14 F N -0.067 119.867 119.950 -0.027 0.000 2.588 14 F HA 0.156 4.698 4.527 0.025 0.000 0.314 14 F C 0.973 176.752 175.800 -0.035 0.000 1.069 14 F CA -1.172 56.809 58.000 -0.032 0.000 0.931 14 F CB 1.878 40.868 39.000 -0.018 0.000 1.260 14 F HN -0.119 nan 8.300 nan 0.000 0.465 15 E N 0.161 120.459 120.200 0.163 0.000 2.106 15 E HA -0.110 4.255 4.350 0.025 0.000 0.192 15 E C -0.272 176.363 176.600 0.060 0.000 0.984 15 E CA 0.898 57.337 56.400 0.065 0.000 0.806 15 E CB -0.155 29.558 29.700 0.022 0.000 0.750 15 E HN 0.501 nan 8.360 nan 0.000 0.458 16 E N 1.475 121.713 120.200 0.064 0.000 2.404 16 E HA 0.136 4.501 4.350 0.025 0.000 0.261 16 E C -0.346 176.302 176.600 0.080 0.000 1.074 16 E CA -0.137 56.283 56.400 0.033 0.000 0.917 16 E CB 0.940 30.622 29.700 -0.029 0.000 0.965 16 E HN -0.065 nan 8.360 nan 0.000 0.433 17 S N 1.906 117.643 115.700 0.061 0.000 2.576 17 S HA 0.041 4.526 4.470 0.025 0.000 0.272 17 S C -1.591 173.089 174.600 0.132 0.000 1.352 17 S CA -1.233 57.023 58.200 0.093 0.000 1.021 17 S CB 0.330 63.574 63.200 0.073 0.000 0.887 17 S HN 0.318 nan 8.310 nan 0.000 0.542 18 P HA 0.014 nan 4.420 nan 0.000 0.223 18 P C 0.434 177.909 177.300 0.292 0.000 1.151 18 P CA 0.827 64.094 63.100 0.278 0.000 0.787 18 P CB 0.054 31.947 31.700 0.321 0.000 0.788 19 E N -0.375 119.957 120.200 0.220 0.000 2.358 19 E HA -0.045 4.320 4.350 0.025 0.000 0.195 19 E C 0.428 177.038 176.600 0.017 0.000 1.010 19 E CA 0.408 56.854 56.400 0.077 0.000 0.856 19 E CB -0.497 29.210 29.700 0.012 0.000 0.795 19 E HN 0.468 nan 8.360 nan 0.000 0.504 20 E N 0.790 121.000 120.200 0.017 0.000 2.373 20 E HA 0.086 4.451 4.350 0.025 0.000 0.267 20 E C 0.411 176.980 176.600 -0.051 0.000 1.032 20 E CA 0.039 56.424 56.400 -0.025 0.000 0.889 20 E CB 0.848 30.526 29.700 -0.036 0.000 0.984 20 E HN 0.033 nan 8.360 nan 0.000 0.425 21 K N 1.521 121.887 120.400 -0.057 0.000 2.352 21 K HA 0.079 4.414 4.320 0.025 0.000 0.194 21 K C 0.086 176.641 176.600 -0.075 0.000 1.038 21 K CA 0.574 56.827 56.287 -0.058 0.000 1.023 21 K CB 0.442 32.915 32.500 -0.045 0.000 0.840 21 K HN 0.241 nan 8.250 nan 0.000 0.519 22 K N -0.096 120.244 120.400 -0.100 0.000 2.385 22 K HA 0.352 4.687 4.320 0.025 0.000 0.248 22 K C -0.562 175.909 176.600 -0.215 0.000 0.955 22 K CA -0.512 55.696 56.287 -0.130 0.000 0.816 22 K CB 2.393 34.834 32.500 -0.097 0.000 1.250 22 K HN -0.195 nan 8.250 nan 0.000 0.434 23 T N -0.518 113.833 114.554 -0.338 0.000 2.645 23 T HA 0.376 4.741 4.350 0.025 0.000 0.300 23 T C -1.395 172.930 174.700 -0.626 0.000 1.210 23 T CA -0.412 61.401 62.100 -0.479 0.000 1.034 23 T CB 1.786 70.293 68.868 -0.603 0.000 1.537 23 T HN 0.447 nan 8.240 nan 0.000 0.492 24 T N 1.705 115.876 114.554 -0.637 0.000 2.807 24 T HA 0.742 5.107 4.350 0.025 0.000 0.279 24 T C -1.191 173.108 174.700 -0.668 0.000 0.993 24 T CA -0.208 61.581 62.100 -0.520 0.000 0.970 24 T CB 0.347 69.067 68.868 -0.246 0.000 0.950 24 T HN 0.370 nan 8.240 nan 0.000 0.441 25 F N 0.563 120.313 119.950 -0.333 0.000 2.613 25 F HA 0.491 5.033 4.527 0.025 0.000 0.342 25 F C 0.496 176.017 175.800 -0.465 0.000 1.066 25 F CA -1.004 56.628 58.000 -0.613 0.000 1.002 25 F CB 1.074 39.308 39.000 -1.276 0.000 1.319 25 F HN 0.745 nan 8.300 nan 0.000 0.495 26 Y N -1.925 118.492 120.300 0.194 0.000 4.779 26 Y HA -0.306 4.259 4.550 0.025 0.000 0.284 26 Y C 1.184 177.108 175.900 0.040 0.000 0.973 26 Y CA 0.697 58.850 58.100 0.088 0.000 1.792 26 Y CB -1.971 36.532 38.460 0.072 0.000 1.120 26 Y HN 0.594 nan 8.280 nan 0.000 0.450 27 T N -2.336 112.288 114.554 0.117 0.000 3.266 27 T HA 0.505 4.871 4.350 0.025 0.000 0.278 27 T C 0.590 175.297 174.700 0.011 0.000 1.010 27 T CA -0.154 61.980 62.100 0.058 0.000 0.909 27 T CB -0.302 68.594 68.868 0.047 0.000 1.122 27 T HN 0.380 nan 8.240 nan 0.000 0.536 28 L N 0.470 121.699 121.223 0.009 0.000 2.607 28 L HA 0.473 4.828 4.340 0.025 0.000 0.228 28 L C 1.939 178.779 176.870 -0.050 0.000 1.123 28 L CA 0.290 55.120 54.840 -0.017 0.000 0.890 28 L CB -0.220 41.839 42.059 -0.000 0.000 1.103 28 L HN 0.593 nan 8.230 nan 0.000 0.468 29 G N -0.279 108.481 108.800 -0.066 0.000 2.157 29 G HA2 -0.127 3.848 3.960 0.025 0.000 0.239 29 G HA3 -0.127 3.848 3.960 0.025 0.000 0.239 29 G C 0.789 175.562 174.900 -0.211 0.000 0.982 29 G CA -0.013 44.997 45.100 -0.149 0.000 0.650 29 G HN 0.717 nan 8.290 nan 0.000 0.527 30 G N 0.325 109.070 108.800 -0.093 0.000 2.556 30 G HA2 -0.280 3.695 3.960 0.025 0.000 0.283 30 G HA3 -0.280 3.695 3.960 0.025 0.000 0.283 30 G C 1.345 176.234 174.900 -0.019 0.000 1.177 30 G CA 1.717 46.792 45.100 -0.042 0.000 0.978 30 G HN 1.727 nan 8.290 nan 0.000 0.554 31 W N 0.962 122.287 121.300 0.042 0.000 2.421 31 W HA 0.055 4.730 4.660 0.025 0.000 0.270 31 W C 1.811 178.346 176.519 0.027 0.000 1.233 31 W CA 1.287 58.659 57.345 0.044 0.000 1.226 31 W CB -0.604 28.901 29.460 0.077 0.000 1.121 31 W HN 0.522 nan 8.180 nan 0.000 0.579 32 K N 1.443 121.514 120.400 -0.547 0.000 2.362 32 K HA -0.196 4.139 4.320 0.025 0.000 0.200 32 K C 2.246 178.745 176.600 -0.168 0.000 1.046 32 K CA 1.753 57.721 56.287 -0.530 0.000 0.952 32 K CB -0.287 31.756 32.500 -0.762 0.000 0.753 32 K HN 0.431 nan 8.250 nan 0.000 0.466 33 Q N 0.371 120.116 119.800 -0.092 0.000 2.369 33 Q HA -0.021 4.334 4.340 0.025 0.000 0.206 33 Q C 0.555 176.553 176.000 -0.003 0.000 0.963 33 Q CA 0.698 56.477 55.803 -0.040 0.000 0.894 33 Q CB 0.188 28.913 28.738 -0.022 0.000 0.965 33 Q HN -0.041 nan 8.270 nan 0.000 0.475 34 S N 0.022 115.746 115.700 0.040 0.000 2.437 34 S HA 0.100 4.585 4.470 0.025 0.000 0.305 34 S C 0.486 175.105 174.600 0.030 0.000 1.109 34 S CA -0.715 57.505 58.200 0.033 0.000 1.099 34 S CB 1.700 64.928 63.200 0.048 0.000 1.004 34 S HN 0.443 nan 8.310 nan 0.000 0.475 35 E N 3.690 123.885 120.200 -0.007 0.000 2.085 35 E HA -0.217 4.149 4.350 0.025 0.000 0.194 35 E C 1.841 178.392 176.600 -0.083 0.000 0.994 35 E CA 1.080 57.469 56.400 -0.018 0.000 0.801 35 E CB -0.051 29.636 29.700 -0.021 0.000 0.743 35 E HN 0.639 nan 8.360 nan 0.000 0.453 36 R N 0.763 121.162 120.500 -0.168 0.000 2.062 36 R HA -0.056 4.299 4.340 0.025 0.000 0.229 36 R C 2.157 178.057 176.300 -0.666 0.000 1.128 36 R CA 1.478 57.321 56.100 -0.428 0.000 0.960 36 R CB -0.064 29.967 30.300 -0.448 0.000 0.855 36 R HN -0.008 nan 8.270 nan 0.000 0.432 37 K N -0.348 119.840 120.400 -0.353 0.000 2.097 37 K HA -0.040 4.296 4.320 0.025 0.000 0.206 37 K C 1.991 178.573 176.600 -0.030 0.000 1.049 37 K CA 1.819 58.001 56.287 -0.176 0.000 0.933 37 K CB -0.589 31.998 32.500 0.145 0.000 0.717 37 K HN 0.256 nan 8.250 nan 0.000 0.442 38 T N 1.377 116.003 114.554 0.121 0.000 2.746 38 T HA -0.158 4.207 4.350 0.025 0.000 0.267 38 T C 1.808 176.533 174.700 0.043 0.000 1.039 38 T CA 1.402 63.631 62.100 0.216 0.000 1.142 38 T CB -0.073 68.957 68.868 0.271 0.000 0.866 38 T HN 0.411 nan 8.240 nan 0.000 0.444 39 E N 0.375 120.559 120.200 -0.028 0.000 2.058 39 E HA -0.142 4.223 4.350 0.025 0.000 0.194 39 E C 1.884 178.525 176.600 0.069 0.000 0.997 39 E CA 1.215 57.618 56.400 0.004 0.000 0.801 39 E CB -0.242 29.449 29.700 -0.016 0.000 0.746 39 E HN 0.641 nan 8.360 nan 0.000 0.450 40 F N 0.072 119.869 119.950 -0.255 0.000 2.146 40 F HA -0.188 4.354 4.527 0.025 0.000 0.298 40 F C 2.484 177.954 175.800 -0.551 0.000 1.096 40 F CA 0.273 57.953 58.000 -0.534 0.000 1.275 40 F CB -0.079 38.430 39.000 -0.818 0.000 1.008 40 F HN -0.017 nan 8.300 nan 0.000 0.480 41 V N 0.521 120.322 119.914 -0.187 0.000 2.287 41 V HA -0.330 3.805 4.120 0.025 0.000 0.248 41 V C 1.942 177.981 176.094 -0.091 0.000 1.053 41 V CA 1.930 64.121 62.300 -0.182 0.000 1.027 41 V CB -0.668 30.787 31.823 -0.614 0.000 0.646 41 V HN 0.344 nan 8.190 nan 0.000 0.447 42 N N 0.434 119.100 118.700 -0.057 0.000 2.120 42 N HA -0.102 4.653 4.740 0.025 0.000 0.188 42 N C 1.877 177.375 175.510 -0.021 0.000 1.024 42 N CA 1.682 54.725 53.050 -0.012 0.000 0.852 42 N CB -0.519 37.980 38.487 0.019 0.000 1.003 42 N HN 0.495 nan 8.380 nan 0.000 0.424 43 A N 0.586 123.381 122.820 -0.041 0.000 1.930 43 A HA 0.028 4.363 4.320 0.025 0.000 0.217 43 A C 2.372 179.915 177.584 -0.068 0.000 1.175 43 A CA 1.814 53.815 52.037 -0.059 0.000 0.627 43 A CB -1.135 17.812 19.000 -0.088 0.000 0.815 43 A HN 0.350 nan 8.150 nan 0.000 0.443 44 G N -0.180 108.576 108.800 -0.073 0.000 2.422 44 G HA2 -0.239 3.737 3.960 0.025 0.000 0.218 44 G HA3 -0.239 3.737 3.960 0.025 0.000 0.218 44 G C 1.669 176.574 174.900 0.008 0.000 1.146 44 G CA 1.122 46.223 45.100 0.001 0.000 0.769 44 G HN 0.584 nan 8.290 nan 0.000 0.547 45 K N 0.341 120.743 120.400 0.004 0.000 2.057 45 K HA -0.057 4.278 4.320 0.025 0.000 0.207 45 K C 2.458 179.057 176.600 -0.002 0.000 1.049 45 K CA 1.359 57.648 56.287 0.004 0.000 0.931 45 K CB -0.142 32.362 32.500 0.007 0.000 0.714 45 K HN 0.397 nan 8.250 nan 0.000 0.440 46 E N 0.444 120.639 120.200 -0.007 0.000 2.051 46 E HA -0.158 4.207 4.350 0.025 0.000 0.192 46 E C 2.093 178.685 176.600 -0.014 0.000 0.991 46 E CA 1.174 57.569 56.400 -0.009 0.000 0.799 46 E CB -0.035 29.658 29.700 -0.011 0.000 0.748 46 E HN 0.019 nan 8.360 nan 0.000 0.449 47 V N 1.471 121.372 119.914 -0.022 0.000 2.295 47 V HA -0.294 3.841 4.120 0.025 0.000 0.246 47 V C 2.342 178.425 176.094 -0.018 0.000 1.049 47 V CA 1.947 64.231 62.300 -0.026 0.000 1.024 47 V CB -0.744 31.055 31.823 -0.041 0.000 0.648 47 V HN 0.335 nan 8.190 nan 0.000 0.447 48 A N -0.113 122.700 122.820 -0.012 0.000 1.902 48 A HA -0.128 4.207 4.320 0.025 0.000 0.217 48 A C 2.418 179.997 177.584 -0.007 0.000 1.181 48 A CA 2.176 54.208 52.037 -0.009 0.000 0.623 48 A CB -0.817 18.180 19.000 -0.005 0.000 0.818 48 A HN 0.580 nan 8.150 nan 0.000 0.443 49 A N -0.289 122.528 122.820 -0.005 0.000 1.902 49 A HA -0.166 4.169 4.320 0.025 0.000 0.217 49 A C 2.140 179.722 177.584 -0.005 0.000 1.181 49 A CA 2.013 54.048 52.037 -0.003 0.000 0.623 49 A CB -0.460 18.540 19.000 -0.000 0.000 0.818 49 A HN 0.563 nan 8.150 nan 0.000 0.443 50 K N 0.086 120.481 120.400 -0.007 0.000 2.057 50 K HA -0.180 4.155 4.320 0.025 0.000 0.207 50 K C 2.143 178.738 176.600 -0.008 0.000 1.049 50 K CA 1.687 57.970 56.287 -0.007 0.000 0.931 50 K CB -0.151 32.343 32.500 -0.010 0.000 0.714 50 K HN 0.621 nan 8.250 nan 0.000 0.440 51 R N -1.190 119.304 120.500 -0.010 0.000 2.312 51 R HA 0.134 4.489 4.340 0.025 0.000 0.205 51 R C 0.809 177.104 176.300 -0.008 0.000 0.904 51 R CA 0.747 56.841 56.100 -0.010 0.000 1.052 51 R CB 0.274 30.566 30.300 -0.014 0.000 1.014 51 R HN 0.242 nan 8.270 nan 0.000 0.503 52 G N 1.668 110.463 108.800 -0.007 0.000 2.147 52 G HA2 -0.227 3.748 3.960 0.025 0.000 0.244 52 G HA3 -0.227 3.748 3.960 0.025 0.000 0.244 52 G C -0.141 174.755 174.900 -0.007 0.000 1.005 52 G CA 0.521 45.618 45.100 -0.006 0.000 0.713 52 G HN 0.377 nan 8.290 nan 0.000 0.515 53 I N -0.110 120.454 120.570 -0.010 0.000 2.548 53 I HA 0.302 4.487 4.170 0.025 0.000 0.287 53 I C -2.390 173.719 176.117 -0.013 0.000 1.103 53 I CA -2.540 58.753 61.300 -0.011 0.000 1.049 53 I CB 2.481 40.474 38.000 -0.013 0.000 1.232 53 I HN -0.190 nan 8.210 nan 0.000 0.429 54 P HA -0.002 nan 4.420 nan 0.000 0.266 54 P C -0.614 176.676 177.300 -0.018 0.000 1.186 54 P CA 0.318 63.408 63.100 -0.016 0.000 0.767 54 P CB 0.927 32.615 31.700 -0.020 0.000 0.820 55 Q N 2.071 121.863 119.800 -0.013 0.000 3.024 55 Q HA 0.180 4.536 4.340 0.025 0.000 0.262 55 Q C -0.715 175.290 176.000 0.008 0.000 1.077 55 Q CA -0.509 55.291 55.803 -0.005 0.000 0.549 55 Q CB 0.190 28.928 28.738 -0.001 0.000 4.587 55 Q HN 0.304 nan 8.270 nan 0.000 0.284 56 Y N 2.872 123.114 120.300 -0.098 0.000 2.632 56 Y HA 0.157 4.722 4.550 0.025 0.000 0.329 56 Y C -0.738 175.097 175.900 -0.108 0.000 1.174 56 Y CA 0.735 58.769 58.100 -0.110 0.000 1.469 56 Y CB 0.337 38.715 38.460 -0.136 0.000 1.242 56 Y HN 0.367 nan 8.280 nan 0.000 0.540 57 N N 8.208 126.667 118.700 -0.402 0.000 2.549 57 N HA 0.249 5.004 4.740 0.025 0.000 0.290 57 N C -2.393 172.875 175.510 -0.402 0.000 1.122 57 N CA -1.985 50.904 53.050 -0.267 0.000 0.885 57 N CB 1.937 40.335 38.487 -0.148 0.000 1.455 57 N HN 0.334 nan 8.380 nan 0.000 0.521 58 P HA -0.004 nan 4.420 nan 0.000 0.225 58 P C -0.059 177.171 177.300 -0.117 0.000 1.148 58 P CA 0.897 63.806 63.100 -0.319 0.000 0.779 58 P CB 0.561 31.933 31.700 -0.547 0.000 0.780 59 D N -0.642 119.713 120.400 -0.074 0.000 2.349 59 D HA 0.060 4.715 4.640 0.025 0.000 0.215 59 D C 0.964 177.241 176.300 -0.039 0.000 1.016 59 D CA 0.209 54.203 54.000 -0.011 0.000 0.870 59 D CB 0.063 40.871 40.800 0.014 0.000 0.917 59 D HN 0.187 nan 8.370 nan 0.000 0.524 60 I N 0.844 121.361 120.570 -0.088 0.000 2.529 60 I HA 0.219 4.404 4.170 0.025 0.000 0.284 60 I C 1.726 177.804 176.117 -0.066 0.000 1.082 60 I CA 0.460 61.712 61.300 -0.081 0.000 1.406 60 I CB 0.418 38.348 38.000 -0.117 0.000 1.405 60 I HN 0.140 nan 8.210 nan 0.000 0.548 61 G N 5.623 114.399 108.800 -0.041 0.000 2.564 61 G HA2 -0.236 3.739 3.960 0.025 0.000 0.273 61 G HA3 -0.236 3.739 3.960 0.025 0.000 0.273 61 G C 0.102 174.995 174.900 -0.012 0.000 1.242 61 G CA 0.147 45.231 45.100 -0.027 0.000 0.951 61 G HN 0.901 nan 8.290 nan 0.000 0.564 62 T N 0.376 114.927 114.554 -0.005 0.000 2.899 62 T HA 0.658 5.023 4.350 0.025 0.000 0.284 62 T C -2.148 172.568 174.700 0.028 0.000 1.004 62 T CA -0.453 61.653 62.100 0.010 0.000 1.043 62 T CB 2.036 70.909 68.868 0.008 0.000 1.013 62 T HN 0.779 nan 8.240 nan 0.000 0.518 63 P HA 0.358 nan 4.420 nan 0.000 0.283 63 P C -0.196 177.165 177.300 0.101 0.000 1.412 63 P CA -0.576 62.580 63.100 0.093 0.000 0.912 63 P CB 0.357 32.112 31.700 0.092 0.000 1.132 64 L N 2.167 123.462 121.223 0.121 0.000 2.506 64 L HA 0.193 4.548 4.340 0.025 0.000 0.281 64 L C 1.566 178.513 176.870 0.128 0.000 1.228 64 L CA 1.102 56.011 54.840 0.116 0.000 0.850 64 L CB -0.345 41.801 42.059 0.146 0.000 1.110 64 L HN 0.786 nan 8.230 nan 0.000 0.496 65 G N 1.284 110.134 108.800 0.083 0.000 2.165 65 G HA2 -0.194 3.782 3.960 0.025 0.000 0.226 65 G HA3 -0.194 3.782 3.960 0.025 0.000 0.226 65 G C 0.664 175.601 174.900 0.061 0.000 1.035 65 G CA -0.150 44.994 45.100 0.074 0.000 0.744 65 G HN 0.621 nan 8.290 nan 0.000 0.501 66 Q N -0.806 119.027 119.800 0.054 0.000 2.297 66 Q HA 0.024 4.380 4.340 0.025 0.000 0.204 66 Q C 1.742 177.742 176.000 0.001 0.000 0.962 66 Q CA 1.746 57.591 55.803 0.070 0.000 0.879 66 Q CB 0.062 28.885 28.738 0.143 0.000 0.947 66 Q HN 0.947 nan 8.270 nan 0.000 0.462 67 R N -1.337 119.164 120.500 0.002 0.000 2.893 67 R HA 0.575 4.930 4.340 0.025 0.000 0.245 67 R C -0.303 176.056 176.300 0.098 0.000 1.192 67 R CA -0.885 55.278 56.100 0.105 0.000 1.077 67 R CB 0.169 30.486 30.300 0.028 0.000 1.253 67 R HN -0.295 nan 8.270 nan 0.000 0.505 68 V N 2.065 122.069 119.914 0.150 0.000 2.540 68 V HA 0.030 4.166 4.120 0.025 0.000 0.297 68 V C 0.221 176.369 176.094 0.090 0.000 1.024 68 V CA 0.152 62.533 62.300 0.135 0.000 1.105 68 V CB 0.004 31.977 31.823 0.250 0.000 0.938 68 V HN 0.424 nan 8.190 nan 0.000 0.482 69 L N 7.052 128.302 121.223 0.045 0.000 2.295 69 L HA 0.364 4.719 4.340 0.025 0.000 0.288 69 L C 0.292 177.141 176.870 -0.035 0.000 1.079 69 L CA 0.134 54.989 54.840 0.025 0.000 0.830 69 L CB 0.371 42.457 42.059 0.044 0.000 1.200 69 L HN 0.575 nan 8.230 nan 0.000 0.438 70 M N 5.544 125.081 119.600 -0.104 0.000 2.255 70 M HA 0.344 4.839 4.480 0.025 0.000 0.336 70 M C -2.052 174.047 176.300 -0.336 0.000 1.135 70 M CA -1.609 53.519 55.300 -0.285 0.000 1.145 70 M CB 0.936 33.257 32.600 -0.465 0.000 1.473 70 M HN 0.273 nan 8.290 nan 0.000 0.462 71 P HA 0.192 nan 4.420 nan 0.000 0.276 71 P C -1.808 175.308 177.300 -0.307 0.000 1.244 71 P CA -0.039 62.975 63.100 -0.143 0.000 0.801 71 P CB 0.455 32.152 31.700 -0.005 0.000 1.006 72 Y N -0.881 119.468 120.300 0.082 0.000 2.409 72 Y HA 0.322 4.887 4.550 0.025 0.000 0.343 72 Y C 0.964 176.813 175.900 -0.084 0.000 0.973 72 Y CA -0.712 57.401 58.100 0.020 0.000 1.064 72 Y CB 2.188 40.646 38.460 -0.003 0.000 1.207 72 Y HN 0.326 nan 8.280 nan 0.000 0.452 73 Q N 2.577 122.310 119.800 -0.113 0.000 2.288 73 Q HA 0.383 4.738 4.340 0.025 0.000 0.258 73 Q C -1.108 174.803 176.000 -0.149 0.000 0.957 73 Q CA -0.538 54.938 55.803 -0.545 0.000 0.919 73 Q CB 0.977 29.326 28.738 -0.649 0.000 1.185 73 Q HN 0.600 nan 8.270 nan 0.000 0.408 74 V N 4.023 123.880 119.914 -0.094 0.000 2.521 74 V HA 0.036 4.171 4.120 0.025 0.000 0.286 74 V C 0.185 176.298 176.094 0.031 0.000 1.034 74 V CA -0.085 62.258 62.300 0.071 0.000 1.045 74 V CB 1.120 33.022 31.823 0.130 0.000 0.974 74 V HN 0.824 nan 8.190 nan 0.000 0.480 75 S N 3.751 119.507 115.700 0.093 0.000 2.560 75 S HA 0.232 4.717 4.470 0.025 0.000 0.284 75 S C 1.215 175.847 174.600 0.053 0.000 1.327 75 S CA 0.524 58.764 58.200 0.067 0.000 1.055 75 S CB 0.604 63.866 63.200 0.104 0.000 0.868 75 S HN 1.495 nan 8.310 nan 0.000 0.506 76 T N -1.408 113.171 114.554 0.041 0.000 6.974 76 T HA -0.240 4.125 4.350 0.025 0.000 0.287 76 T C 0.110 174.817 174.700 0.011 0.000 2.146 76 T CA 1.540 63.660 62.100 0.033 0.000 3.451 76 T CB -2.696 66.194 68.868 0.036 0.000 1.630 76 T HN 1.090 nan 8.240 nan 0.000 1.173 77 T N -2.150 112.402 114.554 -0.002 0.000 2.926 77 T HA 0.665 5.030 4.350 0.025 0.000 0.289 77 T C -0.296 174.391 174.700 -0.021 0.000 1.054 77 T CA -0.287 61.809 62.100 -0.008 0.000 1.015 77 T CB 2.167 71.032 68.868 -0.005 0.000 1.167 77 T HN 0.015 nan 8.240 nan 0.000 0.526 78 D N 0.971 121.380 120.400 0.015 0.000 2.427 78 D HA 0.199 4.854 4.640 0.025 0.000 0.224 78 D C -0.190 176.173 176.300 0.104 0.000 1.157 78 D CA 0.020 54.064 54.000 0.073 0.000 0.828 78 D CB 0.363 41.225 40.800 0.104 0.000 0.974 78 D HN 0.519 nan 8.370 nan 0.000 0.498 79 T N 0.739 115.292 114.554 -0.001 0.000 2.767 79 T HA 0.285 4.650 4.350 0.025 0.000 0.288 79 T C -0.433 174.222 174.700 -0.075 0.000 0.963 79 T CA -0.205 61.923 62.100 0.047 0.000 1.019 79 T CB 0.696 69.593 68.868 0.050 0.000 0.923 79 T HN -0.073 nan 8.240 nan 0.000 0.468 80 Y N 2.355 122.693 120.300 0.063 0.000 2.328 80 Y HA 0.566 5.131 4.550 0.025 0.000 0.336 80 Y C 0.164 176.104 175.900 0.066 0.000 0.960 80 Y CA -0.961 57.176 58.100 0.061 0.000 1.134 80 Y CB 1.460 39.933 38.460 0.021 0.000 1.166 80 Y HN 0.483 nan 8.280 nan 0.000 0.464 81 V N -0.647 119.390 119.914 0.205 0.000 3.007 81 V HA 0.580 4.715 4.120 0.025 0.000 0.311 81 V C -0.466 175.738 176.094 0.183 0.000 1.120 81 V CA -1.465 60.936 62.300 0.168 0.000 0.980 81 V CB 1.917 33.831 31.823 0.152 0.000 1.033 81 V HN 0.704 nan 8.190 nan 0.000 0.429 82 E N 1.786 122.065 120.200 0.132 0.000 2.418 82 E HA 0.250 4.615 4.350 0.025 0.000 0.261 82 E C 1.322 178.065 176.600 0.237 0.000 1.070 82 E CA 0.406 56.892 56.400 0.142 0.000 0.931 82 E CB 1.136 30.867 29.700 0.053 0.000 0.954 82 E HN 1.033 nan 8.360 nan 0.000 0.439 83 G N 2.582 111.592 108.800 0.350 0.000 2.470 83 G HA2 -0.259 3.716 3.960 0.025 0.000 0.220 83 G HA3 -0.259 3.716 3.960 0.025 0.000 0.220 83 G C 0.676 175.701 174.900 0.208 0.000 1.121 83 G CA 0.762 46.057 45.100 0.326 0.000 0.766 83 G HN 0.503 nan 8.290 nan 0.000 0.553 84 D N 0.977 121.498 120.400 0.201 0.000 2.263 84 D HA -0.030 4.625 4.640 0.025 0.000 0.208 84 D C 1.391 177.819 176.300 0.214 0.000 0.971 84 D CA 0.871 55.011 54.000 0.233 0.000 0.867 84 D CB -0.005 40.934 40.800 0.231 0.000 0.929 84 D HN 0.175 nan 8.370 nan 0.000 0.492 85 D N -0.233 120.266 120.400 0.164 0.000 2.363 85 D HA 0.013 4.669 4.640 0.025 0.000 0.220 85 D C 1.365 177.746 176.300 0.134 0.000 0.994 85 D CA 0.369 54.454 54.000 0.143 0.000 0.890 85 D CB 0.139 41.013 40.800 0.123 0.000 0.906 85 D HN 0.302 nan 8.370 nan 0.000 0.530 86 L N -0.283 121.024 121.223 0.139 0.000 2.693 86 L HA 0.090 4.445 4.340 0.025 0.000 0.235 86 L C 0.854 177.781 176.870 0.096 0.000 1.127 86 L CA -0.275 54.629 54.840 0.107 0.000 0.914 86 L CB 0.156 42.278 42.059 0.104 0.000 1.193 86 L HN 0.061 nan 8.230 nan 0.000 0.502 87 H N 0.863 119.964 119.070 0.051 0.000 2.848 87 H HA -0.066 4.505 4.556 0.026 0.000 0.341 87 H C 0.973 176.294 175.328 -0.012 0.000 1.060 87 H CA 0.016 56.081 56.048 0.027 0.000 1.444 87 H CB 1.085 30.835 29.762 -0.019 0.000 1.446 87 H HN 0.245 nan 8.280 nan 0.000 0.583 88 F N 3.845 123.775 119.950 -0.033 0.000 2.202 88 F HA -0.152 4.390 4.527 0.025 0.000 0.301 88 F C 1.697 177.594 175.800 0.161 0.000 1.082 88 F CA 0.856 58.875 58.000 0.031 0.000 1.313 88 F CB -1.025 37.953 39.000 -0.037 0.000 1.024 88 F HN 0.244 nan 8.300 nan 0.000 0.495 89 V N 1.561 121.137 119.914 -0.564 0.000 2.490 89 V HA -0.282 3.853 4.120 0.025 0.000 0.250 89 V C 1.546 177.534 176.094 -0.177 0.000 1.061 89 V CA 2.150 64.155 62.300 -0.491 0.000 1.064 89 V CB -0.884 30.554 31.823 -0.642 0.000 0.670 89 V HN 0.440 nan 8.190 nan 0.000 0.461 90 N N 0.370 119.022 118.700 -0.080 0.000 2.322 90 N HA 0.044 4.799 4.740 0.025 0.000 0.194 90 N C 0.295 175.831 175.510 0.043 0.000 1.126 90 N CA 0.208 53.250 53.050 -0.012 0.000 0.845 90 N CB -0.068 38.445 38.487 0.043 0.000 0.976 90 N HN 0.402 nan 8.380 nan 0.000 0.475 91 N N 0.415 119.142 118.700 0.045 0.000 2.576 91 N HA 0.261 5.016 4.740 0.025 0.000 0.269 91 N C 0.144 175.674 175.510 0.033 0.000 1.058 91 N CA -0.194 52.885 53.050 0.047 0.000 0.860 91 N CB 1.509 40.014 38.487 0.029 0.000 1.249 91 N HN -0.068 nan 8.380 nan 0.000 0.525 92 A N 3.016 125.864 122.820 0.047 0.000 2.015 92 A HA 0.036 4.371 4.320 0.025 0.000 0.219 92 A C 2.008 179.485 177.584 -0.178 0.000 1.163 92 A CA 1.685 53.758 52.037 0.059 0.000 0.646 92 A CB -0.298 18.824 19.000 0.203 0.000 0.806 92 A HN 0.687 nan 8.150 nan 0.000 0.448 93 A N -0.226 122.313 122.820 -0.468 0.000 1.902 93 A HA -0.131 4.204 4.320 0.025 0.000 0.217 93 A C 2.235 179.676 177.584 -0.238 0.000 1.181 93 A CA 1.800 53.233 52.037 -1.007 0.000 0.623 93 A CB -0.527 18.101 19.000 -0.620 0.000 0.818 93 A HN 0.524 nan 8.150 nan 0.000 0.443 94 M N -0.997 118.544 119.600 -0.099 0.000 2.117 94 M HA -0.227 4.268 4.480 0.025 0.000 0.262 94 M C 2.458 178.769 176.300 0.018 0.000 1.065 94 M CA 1.753 57.002 55.300 -0.085 0.000 1.114 94 M CB -0.460 32.047 32.600 -0.154 0.000 1.361 94 M HN 0.487 nan 8.290 nan 0.000 0.408 95 Q N -0.235 119.621 119.800 0.094 0.000 2.084 95 Q HA -0.256 4.099 4.340 0.025 0.000 0.202 95 Q C 2.091 178.179 176.000 0.147 0.000 0.978 95 Q CA 1.489 57.407 55.803 0.191 0.000 0.844 95 Q CB -0.208 28.653 28.738 0.205 0.000 0.898 95 Q HN 0.397 nan 8.270 nan 0.000 0.426 96 Q N 0.556 120.409 119.800 0.088 0.000 2.167 96 Q HA -0.101 4.254 4.340 0.025 0.000 0.202 96 Q C 1.840 177.891 176.000 0.085 0.000 0.970 96 Q CA 1.210 57.106 55.803 0.157 0.000 0.855 96 Q CB -0.087 28.863 28.738 0.353 0.000 0.911 96 Q HN 0.366 nan 8.270 nan 0.000 0.438 97 M N -1.142 118.366 119.600 -0.153 0.000 2.080 97 M HA -0.203 4.292 4.480 0.025 0.000 0.260 97 M C 1.885 178.191 176.300 0.010 0.000 1.068 97 M CA 1.926 56.904 55.300 -0.537 0.000 1.109 97 M CB -0.504 31.464 32.600 -1.054 0.000 1.342 97 M HN 0.579 nan 8.290 nan 0.000 0.405 98 W N 1.403 122.650 121.300 -0.088 0.000 2.355 98 W HA -0.249 4.426 4.660 0.025 0.000 0.309 98 W C 1.437 177.997 176.519 0.068 0.000 1.206 98 W CA 1.461 58.804 57.345 -0.004 0.000 1.284 98 W CB -0.398 29.064 29.460 0.003 0.000 1.145 98 W HN 0.284 nan 8.180 nan 0.000 0.502 99 D N 0.818 121.104 120.400 -0.190 0.000 2.123 99 D HA -0.208 4.447 4.640 0.025 0.000 0.196 99 D C 1.503 177.686 176.300 -0.195 0.000 0.992 99 D CA 1.838 55.665 54.000 -0.288 0.000 0.833 99 D CB -0.744 40.012 40.800 -0.073 0.000 0.954 99 D HN 0.151 nan 8.370 nan 0.000 0.455 100 D N -0.048 120.371 120.400 0.031 0.000 2.178 100 D HA -0.061 4.594 4.640 0.025 0.000 0.201 100 D C 2.231 178.634 176.300 0.172 0.000 0.980 100 D CA 0.337 54.444 54.000 0.179 0.000 0.842 100 D CB -0.116 40.972 40.800 0.480 0.000 0.948 100 D HN 0.304 nan 8.370 nan 0.000 0.472 101 I N 0.077 120.703 120.570 0.093 0.000 2.193 101 I HA -0.153 4.032 4.170 0.025 0.000 0.240 101 I C 2.539 178.560 176.117 -0.159 0.000 1.084 101 I CA 0.593 61.930 61.300 0.062 0.000 1.365 101 I CB -0.159 37.887 38.000 0.076 0.000 1.064 101 I HN -0.119 nan 8.210 nan 0.000 0.410 102 R N 1.862 121.976 120.500 -0.643 0.000 2.105 102 R HA -0.182 4.173 4.340 0.025 0.000 0.239 102 R C 2.282 178.406 176.300 -0.294 0.000 1.135 102 R CA 1.562 57.252 56.100 -0.682 0.000 0.967 102 R CB -0.173 29.414 30.300 -1.187 0.000 0.861 102 R HN 0.385 nan 8.270 nan 0.000 0.442 103 R N -0.334 120.016 120.500 -0.250 0.000 2.320 103 R HA 0.093 4.448 4.340 0.025 0.000 0.211 103 R C -0.573 175.637 176.300 -0.150 0.000 0.931 103 R CA 0.348 56.334 56.100 -0.190 0.000 1.071 103 R CB 0.273 30.449 30.300 -0.208 0.000 1.025 103 R HN -0.069 nan 8.270 nan 0.000 0.495 104 T N 1.795 116.291 114.554 -0.098 0.000 2.829 104 T HA 0.466 4.831 4.350 0.025 0.000 0.282 104 T C -0.440 174.233 174.700 -0.044 0.000 0.990 104 T CA -0.533 61.508 62.100 -0.099 0.000 1.028 104 T CB 1.863 70.675 68.868 -0.093 0.000 0.951 104 T HN 0.186 nan 8.240 nan 0.000 0.460 105 V N 0.839 120.711 119.914 -0.070 0.000 3.078 105 V HA 0.719 4.854 4.120 0.025 0.000 0.311 105 V C -0.944 175.119 176.094 -0.051 0.000 1.138 105 V CA -1.279 60.984 62.300 -0.062 0.000 1.007 105 V CB 1.845 33.607 31.823 -0.102 0.000 1.045 105 V HN 0.817 nan 8.190 nan 0.000 0.432 106 I N 1.996 122.548 120.570 -0.031 0.000 2.378 106 I HA 0.691 4.876 4.170 0.025 0.000 0.291 106 I C -0.940 175.230 176.117 0.088 0.000 0.992 106 I CA -0.850 60.471 61.300 0.034 0.000 1.154 106 I CB 1.967 39.977 38.000 0.016 0.000 1.315 106 I HN 0.448 nan 8.210 nan 0.000 0.448 107 V N 5.036 125.024 119.914 0.123 0.000 2.569 107 V HA 0.479 4.614 4.120 0.025 0.000 0.301 107 V C 0.574 176.664 176.094 -0.006 0.000 1.044 107 V CA -0.735 61.608 62.300 0.071 0.000 0.874 107 V CB 1.583 33.404 31.823 -0.003 0.000 1.002 107 V HN 0.890 nan 8.190 nan 0.000 0.424 108 G N 2.770 111.455 108.800 -0.191 0.000 2.594 108 G HA2 0.406 4.381 3.960 0.025 0.000 0.243 108 G HA3 0.406 4.381 3.960 0.025 0.000 0.243 108 G C 0.362 174.883 174.900 -0.632 0.000 1.229 108 G CA -0.261 44.305 45.100 -0.891 0.000 0.843 108 G HN 0.730 nan 8.290 nan 0.000 0.578 109 L N 1.063 121.818 121.223 -0.779 0.000 2.808 109 L HA 0.134 4.489 4.340 0.025 0.000 0.246 109 L C 1.814 178.180 176.870 -0.839 0.000 1.153 109 L CA -0.254 54.111 54.840 -0.791 0.000 0.956 109 L CB 0.061 41.576 42.059 -0.907 0.000 1.270 109 L HN 0.479 nan 8.230 nan 0.000 0.528 110 N N -0.273 117.989 118.700 -0.730 0.000 2.135 110 N HA -0.141 4.614 4.740 0.025 0.000 0.186 110 N C 1.608 176.896 175.510 -0.371 0.000 1.027 110 N CA 1.259 53.983 53.050 -0.543 0.000 0.849 110 N CB -0.153 37.956 38.487 -0.630 0.000 1.002 110 N HN 0.364 nan 8.380 nan 0.000 0.425 111 H N 1.343 120.241 119.070 -0.288 0.000 2.353 111 H HA 0.079 4.651 4.556 0.025 0.000 0.300 111 H C 2.088 177.289 175.328 -0.211 0.000 1.090 111 H CA 1.186 57.111 56.048 -0.206 0.000 1.327 111 H CB -0.480 29.181 29.762 -0.168 0.000 1.383 111 H HN 0.224 nan 8.280 nan 0.000 0.508 112 A N 0.875 123.625 122.820 -0.116 0.000 1.883 112 A HA -0.224 4.111 4.320 0.025 0.000 0.217 112 A C 2.091 179.677 177.584 0.004 0.000 1.186 112 A CA 1.806 53.820 52.037 -0.039 0.000 0.624 112 A CB -1.031 17.951 19.000 -0.030 0.000 0.822 112 A HN 0.595 nan 8.150 nan 0.000 0.444 113 H N -0.964 118.015 119.070 -0.150 0.000 2.387 113 H HA 0.012 4.583 4.556 0.025 0.000 0.299 113 H C 2.491 177.734 175.328 -0.141 0.000 1.090 113 H CA 0.595 56.533 56.048 -0.182 0.000 1.332 113 H CB 0.016 29.668 29.762 -0.184 0.000 1.386 113 H HN 0.579 nan 8.280 nan 0.000 0.516 114 A N 0.712 123.532 122.820 0.001 0.000 1.933 114 A HA -0.130 4.206 4.320 0.025 0.000 0.218 114 A C 2.586 180.124 177.584 -0.077 0.000 1.175 114 A CA 1.336 53.353 52.037 -0.032 0.000 0.628 114 A CB -0.723 18.269 19.000 -0.013 0.000 0.814 114 A HN 0.197 nan 8.150 nan 0.000 0.444 115 V N 0.291 120.118 119.914 -0.145 0.000 2.295 115 V HA -0.296 3.840 4.120 0.025 0.000 0.246 115 V C 2.420 178.438 176.094 -0.127 0.000 1.049 115 V CA 2.130 64.282 62.300 -0.247 0.000 1.024 115 V CB -0.748 30.688 31.823 -0.646 0.000 0.648 115 V HN 0.583 nan 8.190 nan 0.000 0.447 116 I N -0.252 120.292 120.570 -0.043 0.000 2.163 116 I HA -0.250 3.935 4.170 0.025 0.000 0.243 116 I C 2.613 178.705 176.117 -0.041 0.000 1.085 116 I CA 1.771 63.055 61.300 -0.026 0.000 1.347 116 I CB -0.408 37.468 38.000 -0.207 0.000 1.044 116 I HN 0.391 nan 8.210 nan 0.000 0.408 117 E N 0.611 120.779 120.200 -0.054 0.000 2.072 117 E HA -0.168 4.197 4.350 0.025 0.000 0.190 117 E C 2.124 178.704 176.600 -0.032 0.000 0.982 117 E CA 1.001 57.377 56.400 -0.040 0.000 0.803 117 E CB 0.078 29.753 29.700 -0.042 0.000 0.755 117 E HN 0.507 nan 8.360 nan 0.000 0.453 118 K N 0.131 120.505 120.400 -0.043 0.000 2.214 118 K HA 0.059 4.394 4.320 0.025 0.000 0.201 118 K C 2.229 178.804 176.600 -0.042 0.000 1.049 118 K CA 0.243 56.506 56.287 -0.041 0.000 0.978 118 K CB 0.164 32.636 32.500 -0.047 0.000 0.842 118 K HN -0.121 nan 8.250 nan 0.000 0.474 119 R N 0.965 121.432 120.500 -0.055 0.000 2.090 119 R HA 0.116 4.471 4.340 0.025 0.000 0.219 119 R C 1.971 178.258 176.300 -0.021 0.000 1.100 119 R CA 0.600 56.670 56.100 -0.051 0.000 0.991 119 R CB 0.121 30.369 30.300 -0.087 0.000 0.893 119 R HN 0.037 nan 8.270 nan 0.000 0.443 120 L N -0.434 120.787 121.223 -0.003 0.000 2.341 120 L HA 0.244 4.600 4.340 0.025 0.000 0.214 120 L C 1.107 177.989 176.870 0.019 0.000 1.115 120 L CA 0.591 55.447 54.840 0.026 0.000 0.820 120 L CB 0.080 42.179 42.059 0.067 0.000 0.944 120 L HN 0.582 nan 8.230 nan 0.000 0.452 121 G N 1.084 109.887 108.800 0.005 0.000 2.176 121 G HA2 -0.279 3.697 3.960 0.025 0.000 0.252 121 G HA3 -0.279 3.697 3.960 0.025 0.000 0.252 121 G C 0.101 175.009 174.900 0.014 0.000 1.024 121 G CA 0.271 45.374 45.100 0.005 0.000 0.755 121 G HN 0.367 nan 8.290 nan 0.000 0.507 122 K N -0.043 120.369 120.400 0.021 0.000 2.238 122 K HA 0.553 4.888 4.320 0.025 0.000 0.239 122 K C 0.393 177.010 176.600 0.029 0.000 0.987 122 K CA -0.690 55.623 56.287 0.043 0.000 0.857 122 K CB 1.375 33.929 32.500 0.090 0.000 1.154 122 K HN 0.481 nan 8.250 nan 0.000 0.439 123 E N 0.215 120.444 120.200 0.049 0.000 2.266 123 E HA 0.347 4.712 4.350 0.025 0.000 0.277 123 E C -1.023 175.608 176.600 0.051 0.000 1.018 123 E CA -0.858 55.558 56.400 0.027 0.000 0.840 123 E CB 1.316 31.030 29.700 0.023 0.000 1.082 123 E HN 0.043 nan 8.360 nan 0.000 0.395 124 V N 3.033 122.926 119.914 -0.034 0.000 2.448 124 V HA 0.487 4.622 4.120 0.025 0.000 0.295 124 V C 0.044 176.085 176.094 -0.088 0.000 1.025 124 V CA -0.171 62.073 62.300 -0.094 0.000 0.859 124 V CB 1.263 32.848 31.823 -0.397 0.000 0.988 124 V HN 0.996 nan 8.190 nan 0.000 0.431 125 T N 2.287 116.816 114.554 -0.042 0.000 2.838 125 T HA 0.522 4.887 4.350 0.025 0.000 0.292 125 T C -2.502 172.192 174.700 -0.010 0.000 1.113 125 T CA -1.946 60.137 62.100 -0.028 0.000 1.008 125 T CB 2.246 71.112 68.868 -0.004 0.000 1.259 125 T HN 0.262 nan 8.240 nan 0.000 0.520 126 P HA 0.006 nan 4.420 nan 0.000 0.220 126 P C 1.281 178.614 177.300 0.054 0.000 1.148 126 P CA 0.943 64.066 63.100 0.038 0.000 0.803 126 P CB 0.144 31.869 31.700 0.041 0.000 0.782 127 E N -0.865 119.358 120.200 0.038 0.000 2.047 127 E HA -0.135 4.231 4.350 0.025 0.000 0.191 127 E C 2.028 178.656 176.600 0.045 0.000 0.987 127 E CA 1.937 58.359 56.400 0.037 0.000 0.799 127 E CB -0.660 29.045 29.700 0.008 0.000 0.752 127 E HN 0.377 nan 8.360 nan 0.000 0.449 128 T N -0.256 114.316 114.554 0.031 0.000 2.821 128 T HA -0.091 4.274 4.350 0.025 0.000 0.267 128 T C 2.036 176.791 174.700 0.091 0.000 1.046 128 T CA 0.709 62.816 62.100 0.013 0.000 1.139 128 T CB -0.401 68.484 68.868 0.028 0.000 0.871 128 T HN 0.043 nan 8.240 nan 0.000 0.454 129 I N 1.549 122.198 120.570 0.131 0.000 2.226 129 I HA -0.151 4.035 4.170 0.025 0.000 0.245 129 I C 2.942 179.158 176.117 0.165 0.000 1.100 129 I CA 1.512 62.927 61.300 0.192 0.000 1.374 129 I CB -0.812 37.275 38.000 0.144 0.000 1.057 129 I HN 0.288 nan 8.210 nan 0.000 0.413 130 T N -1.077 113.552 114.554 0.125 0.000 2.746 130 T HA -0.248 4.117 4.350 0.025 0.000 0.267 130 T C 1.889 176.622 174.700 0.054 0.000 1.039 130 T CA 1.691 63.859 62.100 0.113 0.000 1.142 130 T CB -0.404 68.568 68.868 0.174 0.000 0.866 130 T HN 0.398 nan 8.240 nan 0.000 0.444 131 H N 0.151 119.206 119.070 -0.025 0.000 2.352 131 H HA -0.127 4.444 4.556 0.025 0.000 0.299 131 H C 1.982 177.239 175.328 -0.119 0.000 1.097 131 H CA 1.813 57.816 56.048 -0.076 0.000 1.311 131 H CB -0.615 29.082 29.762 -0.108 0.000 1.377 131 H HN 0.487 nan 8.280 nan 0.000 0.504 132 Y N 0.409 120.551 120.300 -0.263 0.000 2.165 132 Y HA -0.182 4.383 4.550 0.025 0.000 0.286 132 Y C 2.103 177.830 175.900 -0.289 0.000 1.155 132 Y CA 1.785 59.727 58.100 -0.264 0.000 1.164 132 Y CB -0.456 37.980 38.460 -0.040 0.000 0.978 132 Y HN 0.247 nan 8.280 nan 0.000 0.513 133 L N -0.136 120.782 121.223 -0.507 0.000 2.156 133 L HA -0.136 4.219 4.340 0.025 0.000 0.208 133 L C 2.440 178.724 176.870 -0.978 0.000 1.095 133 L CA 1.491 55.820 54.840 -0.851 0.000 0.770 133 L CB -0.464 41.010 42.059 -0.976 0.000 0.914 133 L HN 0.205 nan 8.230 nan 0.000 0.439 134 E N -0.280 119.527 120.200 -0.656 0.000 2.051 134 E HA -0.194 4.171 4.350 0.025 0.000 0.192 134 E C 2.043 178.489 176.600 -0.256 0.000 0.991 134 E CA 1.887 58.133 56.400 -0.257 0.000 0.799 134 E CB 0.100 29.780 29.700 -0.032 0.000 0.748 134 E HN 0.331 nan 8.360 nan 0.000 0.449 135 T N -0.225 114.087 114.554 -0.402 0.000 2.708 135 T HA -0.143 4.222 4.350 0.025 0.000 0.266 135 T C 1.838 176.375 174.700 -0.271 0.000 1.037 135 T CA 1.199 63.099 62.100 -0.334 0.000 1.146 135 T CB -0.318 68.285 68.868 -0.441 0.000 0.865 135 T HN 0.049 nan 8.240 nan 0.000 0.435 136 V N 2.175 121.808 119.914 -0.468 0.000 2.667 136 V HA -0.070 4.065 4.120 0.025 0.000 0.252 136 V C 2.053 178.042 176.094 -0.175 0.000 1.065 136 V CA 1.349 63.428 62.300 -0.368 0.000 1.083 136 V CB -0.518 30.946 31.823 -0.598 0.000 0.692 136 V HN 0.462 nan 8.190 nan 0.000 0.468 137 N N -0.603 118.009 118.700 -0.146 0.000 2.396 137 N HA -0.146 4.609 4.740 0.025 0.000 0.180 137 N C 1.645 177.203 175.510 0.080 0.000 1.028 137 N CA 1.335 54.400 53.050 0.026 0.000 0.893 137 N CB -0.107 38.463 38.487 0.139 0.000 0.967 137 N HN 0.746 nan 8.380 nan 0.000 0.440 138 H N 0.704 119.751 119.070 -0.038 0.000 2.372 138 H HA 0.152 4.723 4.556 0.025 0.000 0.301 138 H C 1.886 177.204 175.328 -0.016 0.000 1.065 138 H CA 1.758 57.795 56.048 -0.019 0.000 1.364 138 H CB 0.061 29.796 29.762 -0.044 0.000 1.406 138 H HN 0.133 nan 8.280 nan 0.000 0.521 139 A N 0.277 123.068 122.820 -0.049 0.000 1.930 139 A HA -0.030 4.306 4.320 0.025 0.000 0.215 139 A C 2.336 179.880 177.584 -0.067 0.000 1.176 139 A CA 1.304 53.277 52.037 -0.106 0.000 0.632 139 A CB -0.599 18.371 19.000 -0.051 0.000 0.819 139 A HN 0.514 nan 8.150 nan 0.000 0.445 140 M N 0.453 120.054 119.600 0.003 0.000 2.108 140 M HA -0.043 4.452 4.480 0.025 0.000 0.261 140 M C -1.262 175.205 176.300 0.279 0.000 1.066 140 M CA 1.639 57.015 55.300 0.127 0.000 1.107 140 M CB -1.028 31.635 32.600 0.105 0.000 1.356 140 M HN 0.149 nan 8.290 nan 0.000 0.406 141 P HA 0.173 nan 4.420 nan 0.000 0.226 141 P C 0.110 177.585 177.300 0.292 0.000 1.153 141 P CA 1.525 64.748 63.100 0.206 0.000 0.777 141 P CB 0.055 31.813 31.700 0.098 0.000 0.794 142 G N -1.795 107.096 108.800 0.153 0.000 2.441 142 G HA2 0.214 4.189 3.960 0.025 0.000 0.139 142 G HA3 0.214 4.189 3.960 0.025 0.000 0.139 142 G C -0.224 174.636 174.900 -0.066 0.000 1.067 142 G CA -0.328 44.812 45.100 0.066 0.000 0.766 142 G HN 0.496 nan 8.290 nan 0.000 0.484 143 A N -0.661 122.046 122.820 -0.187 0.000 2.469 143 A HA 1.094 5.429 4.320 0.025 0.000 0.299 143 A C 0.291 177.772 177.584 -0.172 0.000 1.098 143 A CA 0.167 52.039 52.037 -0.275 0.000 0.737 143 A CB 1.603 20.207 19.000 -0.659 0.000 1.312 143 A HN 2.094 nan 8.150 nan 0.000 0.414 144 A N -0.220 122.605 122.820 0.008 0.000 2.295 144 A HA 0.627 4.963 4.320 0.025 0.000 0.318 144 A C 0.722 178.409 177.584 0.171 0.000 1.134 144 A CA 0.204 52.281 52.037 0.066 0.000 0.827 144 A CB 0.731 19.754 19.000 0.037 0.000 1.136 144 A HN 2.012 nan 8.150 nan 0.000 0.493 145 V N -0.620 119.339 119.914 0.074 0.000 3.497 145 V HA 0.201 4.336 4.120 0.025 0.000 0.272 145 V C 0.786 176.882 176.094 0.002 0.000 1.474 145 V CA 0.890 63.210 62.300 0.033 0.000 1.025 145 V CB -0.361 31.473 31.823 0.018 0.000 0.820 145 V HN 0.486 nan 8.190 nan 0.000 0.437 146 V N -0.374 119.543 119.914 0.004 0.000 3.029 146 V HA 0.251 4.386 4.120 0.025 0.000 0.230 146 V C 0.995 177.093 176.094 0.006 0.000 1.254 146 V CA 0.510 62.811 62.300 0.001 0.000 1.276 146 V CB 0.288 32.110 31.823 -0.001 0.000 1.080 146 V HN 0.451 nan 8.190 nan 0.000 0.495 147 Q N 0.932 120.738 119.800 0.009 0.000 2.306 147 Q HA 0.293 4.648 4.340 0.025 0.000 0.241 147 Q C -0.331 175.685 176.000 0.026 0.000 0.948 147 Q CA -0.167 55.646 55.803 0.017 0.000 0.886 147 Q CB 1.334 30.083 28.738 0.018 0.000 1.227 147 Q HN 0.355 nan 8.270 nan 0.000 0.457 148 E N 1.223 121.446 120.200 0.038 0.000 2.373 148 E HA -0.054 4.312 4.350 0.025 0.000 0.263 148 E C -0.561 176.107 176.600 0.113 0.000 1.073 148 E CA 0.100 56.535 56.400 0.058 0.000 0.894 148 E CB 0.367 30.102 29.700 0.060 0.000 1.008 148 E HN 0.626 nan 8.360 nan 0.000 0.420 149 H N 2.820 121.890 119.070 0.001 0.000 2.826 149 H HA -0.142 4.429 4.556 0.025 0.000 0.306 149 H C -0.893 174.435 175.328 -0.000 0.000 1.235 149 H CA 0.636 56.684 56.048 0.001 0.000 1.150 149 H CB -0.678 29.084 29.762 0.000 0.000 1.409 149 H HN 0.375 nan 8.280 nan 0.000 0.420 150 M N 0.984 120.587 119.600 0.004 0.000 2.249 150 M HA 0.296 4.791 4.480 0.025 0.000 0.351 150 M C 0.899 177.175 176.300 -0.041 0.000 1.180 150 M CA -0.524 54.779 55.300 0.005 0.000 1.127 150 M CB 1.452 34.053 32.600 0.001 0.000 1.546 150 M HN 0.147 nan 8.290 nan 0.000 0.461 151 V N 0.702 120.608 119.914 -0.013 0.000 2.612 151 V HA 0.720 4.855 4.120 0.025 0.000 0.301 151 V C -0.378 175.708 176.094 -0.013 0.000 1.046 151 V CA -0.627 61.661 62.300 -0.020 0.000 0.946 151 V CB 1.748 33.574 31.823 0.004 0.000 1.003 151 V HN 0.896 nan 8.190 nan 0.000 0.459 152 E N 1.090 121.282 120.200 -0.013 0.000 2.416 152 E HA 0.524 4.889 4.350 0.025 0.000 0.273 152 E C -0.678 175.933 176.600 0.018 0.000 0.935 152 E CA -0.828 55.565 56.400 -0.012 0.000 0.784 152 E CB 2.195 31.874 29.700 -0.035 0.000 1.301 152 E HN 0.984 nan 8.360 nan 0.000 0.454 153 T N -1.185 113.395 114.554 0.044 0.000 2.898 153 T HA 0.020 4.385 4.350 0.025 0.000 0.301 153 T C 0.216 174.971 174.700 0.093 0.000 1.049 153 T CA -0.577 61.580 62.100 0.096 0.000 1.095 153 T CB 0.599 69.554 68.868 0.145 0.000 0.976 153 T HN 0.399 nan 8.240 nan 0.000 0.539 154 H N 3.739 122.829 119.070 0.033 0.000 2.955 154 H HA 0.183 4.754 4.556 0.025 0.000 0.290 154 H C -1.845 173.498 175.328 0.025 0.000 1.047 154 H CA -2.094 53.969 56.048 0.025 0.000 1.484 154 H CB 1.058 30.835 29.762 0.024 0.000 1.501 154 H HN 0.418 nan 8.280 nan 0.000 0.521 155 P HA -0.170 nan 4.420 nan 0.000 0.217 155 P C 1.040 178.469 177.300 0.215 0.000 1.151 155 P CA 2.128 65.327 63.100 0.165 0.000 0.849 155 P CB 0.158 31.906 31.700 0.080 0.000 0.787 156 A N -1.135 121.911 122.820 0.376 0.000 2.014 156 A HA -0.068 4.267 4.320 0.025 0.000 0.218 156 A C 2.080 179.676 177.584 0.020 0.000 1.163 156 A CA 0.944 53.060 52.037 0.132 0.000 0.652 156 A CB -1.387 17.653 19.000 0.068 0.000 0.808 156 A HN 0.139 nan 8.150 nan 0.000 0.449 157 L N -0.282 120.942 121.223 0.000 0.000 2.376 157 L HA -0.049 4.306 4.340 0.025 0.000 0.219 157 L C 1.397 178.278 176.870 0.019 0.000 1.133 157 L CA 0.982 55.810 54.840 -0.021 0.000 0.816 157 L CB 0.040 42.090 42.059 -0.015 0.000 0.933 157 L HN 0.417 nan 8.230 nan 0.000 0.449 158 V N -5.286 114.659 119.914 0.053 0.000 2.988 158 V HA 0.436 4.571 4.120 0.025 0.000 0.356 158 V C 1.542 177.673 176.094 0.061 0.000 1.380 158 V CA 0.236 62.561 62.300 0.043 0.000 1.184 158 V CB 0.038 31.900 31.823 0.064 0.000 1.204 158 V HN 0.102 nan 8.190 nan 0.000 0.530 159 A N 1.690 124.548 122.820 0.063 0.000 2.067 159 A HA -0.130 4.205 4.320 0.025 0.000 0.219 159 A C 1.857 179.504 177.584 0.106 0.000 1.158 159 A CA 1.725 53.808 52.037 0.077 0.000 0.661 159 A CB -0.374 18.660 19.000 0.057 0.000 0.801 159 A HN 0.804 nan 8.150 nan 0.000 0.452 160 D N -0.815 119.646 120.400 0.102 0.000 2.349 160 D HA 0.030 4.685 4.640 0.025 0.000 0.215 160 D C 0.692 177.096 176.300 0.172 0.000 1.016 160 D CA 0.614 54.705 54.000 0.151 0.000 0.870 160 D CB -0.264 40.593 40.800 0.096 0.000 0.917 160 D HN 0.230 nan 8.370 nan 0.000 0.524 161 S N -0.249 115.516 115.700 0.108 0.000 2.525 161 S HA 0.531 5.016 4.470 0.025 0.000 0.278 161 S C -0.921 173.775 174.600 0.160 0.000 1.234 161 S CA -0.670 57.537 58.200 0.012 0.000 1.058 161 S CB 0.256 63.444 63.200 -0.019 0.000 0.983 161 S HN 0.368 nan 8.310 nan 0.000 0.495 162 Y N 0.393 120.709 120.300 0.027 0.000 2.818 162 Y HA 0.678 5.243 4.550 0.025 0.000 0.341 162 Y C -1.922 174.002 175.900 0.041 0.000 1.283 162 Y CA -1.369 56.760 58.100 0.048 0.000 1.075 162 Y CB 0.578 39.078 38.460 0.067 0.000 1.370 162 Y HN 0.306 nan 8.280 nan 0.000 0.448 163 V N 1.756 121.824 119.914 0.256 0.000 2.577 163 V HA 0.554 4.689 4.120 0.025 0.000 0.303 163 V C -0.616 175.656 176.094 0.297 0.000 1.042 163 V CA -1.026 61.362 62.300 0.147 0.000 0.872 163 V CB 1.623 33.465 31.823 0.031 0.000 0.998 163 V HN 0.757 nan 8.190 nan 0.000 0.423 164 K N 2.276 122.845 120.400 0.282 0.000 2.352 164 K HA 0.905 5.240 4.320 0.025 0.000 0.240 164 K C -1.008 175.718 176.600 0.210 0.000 1.017 164 K CA -0.827 55.637 56.287 0.296 0.000 0.851 164 K CB 2.650 35.346 32.500 0.326 0.000 1.261 164 K HN 0.591 nan 8.250 nan 0.000 0.451 165 V N -1.439 118.606 119.914 0.218 0.000 3.074 165 V HA 0.804 4.939 4.120 0.025 0.000 0.314 165 V C -1.029 175.213 176.094 0.247 0.000 1.117 165 V CA -0.924 61.458 62.300 0.137 0.000 1.014 165 V CB 1.209 33.083 31.823 0.085 0.000 1.057 165 V HN 0.785 nan 8.190 nan 0.000 0.438 166 F N -0.959 119.081 119.950 0.149 0.000 2.645 166 F HA 0.949 5.492 4.527 0.026 0.000 0.310 166 F C -0.529 175.361 175.800 0.151 0.000 1.102 166 F CA -0.474 57.605 58.000 0.132 0.000 0.952 166 F CB 1.644 40.706 39.000 0.104 0.000 1.326 166 F HN 0.884 nan 8.300 nan 0.000 0.456 167 T N -0.449 114.319 114.554 0.356 0.000 2.885 167 T HA 0.483 4.849 4.350 0.025 0.000 0.322 167 T C 0.472 175.304 174.700 0.221 0.000 1.387 167 T CA -0.068 62.180 62.100 0.246 0.000 1.041 167 T CB 1.420 70.363 68.868 0.125 0.000 1.287 167 T HN 1.203 nan 8.240 nan 0.000 0.491 168 G N 2.050 110.953 108.800 0.173 0.000 2.650 168 G HA2 0.039 4.015 3.960 0.025 0.000 0.214 168 G HA3 0.039 4.015 3.960 0.025 0.000 0.214 168 G C 0.656 175.603 174.900 0.078 0.000 1.136 168 G CA -0.074 45.089 45.100 0.104 0.000 0.789 168 G HN 0.659 nan 8.290 nan 0.000 0.536 169 N N 1.166 119.914 118.700 0.079 0.000 2.415 169 N HA 0.065 4.820 4.740 0.025 0.000 0.246 169 N C 0.157 175.705 175.510 0.064 0.000 1.078 169 N CA -0.301 52.785 53.050 0.060 0.000 0.942 169 N CB 0.895 39.412 38.487 0.050 0.000 1.140 169 N HN -0.035 nan 8.380 nan 0.000 0.501 170 D N 2.972 123.405 120.400 0.055 0.000 2.144 170 D HA -0.152 4.503 4.640 0.025 0.000 0.199 170 D C 0.928 177.259 176.300 0.052 0.000 0.984 170 D CA 1.484 55.518 54.000 0.056 0.000 0.834 170 D CB 0.437 41.265 40.800 0.046 0.000 0.955 170 D HN 0.618 nan 8.370 nan 0.000 0.465 171 E N 0.458 120.684 120.200 0.043 0.000 2.106 171 E HA -0.037 4.328 4.350 0.025 0.000 0.192 171 E C 2.293 178.918 176.600 0.043 0.000 0.984 171 E CA 0.313 56.736 56.400 0.038 0.000 0.806 171 E CB -0.122 29.596 29.700 0.030 0.000 0.750 171 E HN 0.341 nan 8.360 nan 0.000 0.458 172 I N 0.474 121.072 120.570 0.047 0.000 2.252 172 I HA -0.228 3.957 4.170 0.025 0.000 0.245 172 I C 2.284 178.442 176.117 0.068 0.000 1.102 172 I CA 0.911 62.242 61.300 0.051 0.000 1.385 172 I CB -0.393 37.636 38.000 0.048 0.000 1.064 172 I HN 0.098 nan 8.210 nan 0.000 0.414 173 A N 0.413 123.280 122.820 0.079 0.000 1.917 173 A HA -0.284 4.051 4.320 0.025 0.000 0.219 173 A C 1.992 179.628 177.584 0.086 0.000 1.182 173 A CA 2.147 54.241 52.037 0.096 0.000 0.633 173 A CB -0.643 18.421 19.000 0.108 0.000 0.819 173 A HN 0.355 nan 8.150 nan 0.000 0.448 174 D N -0.582 119.858 120.400 0.068 0.000 2.263 174 D HA -0.085 4.570 4.640 0.025 0.000 0.208 174 D C 1.648 177.981 176.300 0.055 0.000 0.971 174 D CA 0.819 54.852 54.000 0.056 0.000 0.867 174 D CB -0.055 40.772 40.800 0.045 0.000 0.929 174 D HN 0.507 nan 8.370 nan 0.000 0.492 175 E N -0.185 120.050 120.200 0.059 0.000 2.385 175 E HA 0.075 4.440 4.350 0.025 0.000 0.194 175 E C 0.801 177.447 176.600 0.077 0.000 1.013 175 E CA -0.032 56.403 56.400 0.057 0.000 0.866 175 E CB 0.984 30.713 29.700 0.048 0.000 0.832 175 E HN 0.357 nan 8.360 nan 0.000 0.500 176 I N 2.282 122.912 120.570 0.099 0.000 2.472 176 I HA 0.005 4.191 4.170 0.025 0.000 0.290 176 I C 0.670 176.877 176.117 0.149 0.000 1.016 176 I CA -0.695 60.692 61.300 0.144 0.000 1.348 176 I CB 0.711 38.813 38.000 0.170 0.000 1.417 176 I HN -0.193 nan 8.210 nan 0.000 0.521 177 D N 8.884 129.398 120.400 0.189 0.000 2.586 177 D HA -0.049 4.606 4.640 0.025 0.000 0.234 177 D C -1.468 174.848 176.300 0.025 0.000 1.132 177 D CA -1.274 52.781 54.000 0.091 0.000 0.860 177 D CB 1.131 41.980 40.800 0.080 0.000 1.159 177 D HN 0.270 nan 8.370 nan 0.000 0.490 178 P HA -0.068 nan 4.420 nan 0.000 0.226 178 P C 0.952 178.192 177.300 -0.100 0.000 1.153 178 P CA 0.657 63.743 63.100 -0.024 0.000 0.777 178 P CB 0.081 31.771 31.700 -0.018 0.000 0.794 179 A N -0.392 122.264 122.820 -0.274 0.000 2.024 179 A HA -0.121 4.214 4.320 0.025 0.000 0.220 179 A C 1.704 179.090 177.584 -0.329 0.000 1.164 179 A CA 1.160 52.956 52.037 -0.402 0.000 0.643 179 A CB -1.637 16.970 19.000 -0.654 0.000 0.806 179 A HN 0.221 nan 8.150 nan 0.000 0.451 180 F N -1.130 118.840 119.950 0.032 0.000 2.695 180 F HA 0.258 4.800 4.527 0.025 0.000 0.303 180 F C 0.099 175.953 175.800 0.091 0.000 1.091 180 F CA -0.353 57.683 58.000 0.060 0.000 1.300 180 F CB 0.603 39.642 39.000 0.065 0.000 1.071 180 F HN -0.154 nan 8.300 nan 0.000 0.578 181 V N 2.038 122.074 119.914 0.202 0.000 2.459 181 V HA 0.282 4.417 4.120 0.025 0.000 0.295 181 V C 0.102 176.296 176.094 0.168 0.000 1.029 181 V CA -1.025 61.394 62.300 0.198 0.000 0.874 181 V CB 2.240 34.161 31.823 0.162 0.000 0.985 181 V HN 0.013 nan 8.190 nan 0.000 0.438 182 I N 3.936 124.635 120.570 0.216 0.000 2.347 182 I HA 0.162 4.347 4.170 0.025 0.000 0.294 182 I C 0.155 176.374 176.117 0.171 0.000 1.090 182 I CA 0.010 61.418 61.300 0.180 0.000 1.314 182 I CB 0.511 38.626 38.000 0.192 0.000 1.423 182 I HN 0.570 nan 8.210 nan 0.000 0.503 183 D N 7.439 127.916 120.400 0.127 0.000 2.374 183 D HA 0.150 4.806 4.640 0.025 0.000 0.240 183 D C 1.034 177.421 176.300 0.146 0.000 1.229 183 D CA 0.010 54.082 54.000 0.119 0.000 0.895 183 D CB 0.847 41.697 40.800 0.083 0.000 1.046 183 D HN 0.436 nan 8.370 nan 0.000 0.498 184 I N 2.984 123.651 120.570 0.161 0.000 2.286 184 I HA -0.254 3.931 4.170 0.025 0.000 0.248 184 I C 1.880 178.140 176.117 0.239 0.000 1.115 184 I CA 0.522 61.956 61.300 0.224 0.000 1.392 184 I CB -0.089 37.951 38.000 0.066 0.000 1.065 184 I HN 0.382 nan 8.210 nan 0.000 0.418 185 N N 0.869 119.651 118.700 0.136 0.000 2.331 185 N HA -0.171 4.584 4.740 0.025 0.000 0.180 185 N C 1.772 177.340 175.510 0.096 0.000 1.019 185 N CA 0.893 54.007 53.050 0.107 0.000 0.881 185 N CB -0.106 38.424 38.487 0.071 0.000 0.972 185 N HN 0.454 nan 8.380 nan 0.000 0.435 186 K N 0.872 121.323 120.400 0.085 0.000 2.076 186 K HA -0.010 4.325 4.320 0.025 0.000 0.204 186 K C 1.561 178.174 176.600 0.022 0.000 1.051 186 K CA 0.824 57.140 56.287 0.048 0.000 0.949 186 K CB 0.296 32.817 32.500 0.036 0.000 0.726 186 K HN -0.027 nan 8.250 nan 0.000 0.443 187 Q N -0.659 119.152 119.800 0.018 0.000 2.354 187 Q HA 0.084 4.439 4.340 0.025 0.000 0.203 187 Q C -0.154 175.609 176.000 -0.395 0.000 0.933 187 Q CA 0.690 56.384 55.803 -0.182 0.000 0.901 187 Q CB 0.407 28.998 28.738 -0.244 0.000 1.007 187 Q HN 0.137 nan 8.270 nan 0.000 0.495 188 F N 1.256 121.206 119.950 -0.001 0.000 2.561 188 F HA 0.397 4.939 4.527 0.025 0.000 0.321 188 F C -1.884 173.886 175.800 -0.050 0.000 1.065 188 F CA -2.625 55.363 58.000 -0.021 0.000 0.934 188 F CB 1.376 40.354 39.000 -0.036 0.000 1.215 188 F HN -0.165 nan 8.300 nan 0.000 0.471 189 P HA 0.023 nan 4.420 nan 0.000 0.272 189 P C 0.385 177.658 177.300 -0.044 0.000 1.230 189 P CA -0.054 62.994 63.100 -0.087 0.000 0.788 189 P CB 0.953 32.371 31.700 -0.470 0.000 0.949 190 E N 0.749 120.925 120.200 -0.039 0.000 2.070 190 E HA -0.272 4.093 4.350 0.025 0.000 0.197 190 E C 0.865 177.449 176.600 -0.026 0.000 1.004 190 E CA 1.773 58.166 56.400 -0.013 0.000 0.805 190 E CB -0.148 29.548 29.700 -0.006 0.000 0.744 190 E HN 0.329 nan 8.360 nan 0.000 0.451 191 D N 0.011 120.378 120.400 -0.056 0.000 2.149 191 D HA -0.123 4.532 4.640 0.025 0.000 0.201 191 D C 2.051 178.324 176.300 -0.045 0.000 0.972 191 D CA 0.848 54.821 54.000 -0.045 0.000 0.835 191 D CB -0.208 40.563 40.800 -0.049 0.000 0.966 191 D HN 0.346 nan 8.370 nan 0.000 0.476 192 Q N 0.339 120.104 119.800 -0.058 0.000 2.079 192 Q HA -0.052 4.303 4.340 0.025 0.000 0.200 192 Q C 2.231 178.180 176.000 -0.086 0.000 0.974 192 Q CA 1.291 57.069 55.803 -0.041 0.000 0.840 192 Q CB -0.106 28.651 28.738 0.032 0.000 0.898 192 Q HN 0.205 nan 8.270 nan 0.000 0.430 193 A N 1.408 124.207 122.820 -0.035 0.000 1.908 193 A HA -0.282 4.053 4.320 0.025 0.000 0.218 193 A C 1.940 179.485 177.584 -0.065 0.000 1.181 193 A CA 1.782 53.783 52.037 -0.060 0.000 0.627 193 A CB -0.586 18.438 19.000 0.040 0.000 0.818 193 A HN 0.483 nan 8.150 nan 0.000 0.445 194 E N -0.819 119.361 120.200 -0.032 0.000 2.077 194 E HA -0.167 4.198 4.350 0.025 0.000 0.193 194 E C 1.954 178.540 176.600 -0.022 0.000 0.989 194 E CA 1.681 58.070 56.400 -0.019 0.000 0.800 194 E CB -0.232 29.464 29.700 -0.007 0.000 0.746 194 E HN 0.519 nan 8.360 nan 0.000 0.452 195 T N 1.368 115.909 114.554 -0.022 0.000 2.708 195 T HA -0.127 4.239 4.350 0.025 0.000 0.266 195 T C 1.878 176.574 174.700 -0.006 0.000 1.037 195 T CA 1.285 63.392 62.100 0.012 0.000 1.146 195 T CB -0.174 68.717 68.868 0.039 0.000 0.865 195 T HN 0.151 nan 8.240 nan 0.000 0.435 196 L N 0.309 121.471 121.223 -0.101 0.000 2.056 196 L HA -0.057 4.298 4.340 0.025 0.000 0.207 196 L C 2.651 179.432 176.870 -0.149 0.000 1.078 196 L CA 1.311 56.026 54.840 -0.209 0.000 0.749 196 L CB -0.403 41.383 42.059 -0.456 0.000 0.901 196 L HN 0.197 nan 8.230 nan 0.000 0.433 197 K N 0.053 120.396 120.400 -0.095 0.000 2.097 197 K HA -0.134 4.201 4.320 0.025 0.000 0.206 197 K C 2.217 178.814 176.600 -0.006 0.000 1.049 197 K CA 1.348 57.617 56.287 -0.029 0.000 0.933 197 K CB -0.245 32.253 32.500 -0.005 0.000 0.717 197 K HN 0.281 nan 8.250 nan 0.000 0.442 198 A N 1.635 124.450 122.820 -0.008 0.000 1.930 198 A HA -0.156 4.179 4.320 0.025 0.000 0.217 198 A C 1.909 179.495 177.584 0.004 0.000 1.175 198 A CA 1.249 53.291 52.037 0.009 0.000 0.627 198 A CB -0.189 18.821 19.000 0.016 0.000 0.815 198 A HN 0.156 nan 8.150 nan 0.000 0.443 199 E N -0.048 120.139 120.200 -0.022 0.000 2.077 199 E HA -0.117 4.248 4.350 0.025 0.000 0.193 199 E C 2.159 178.730 176.600 -0.048 0.000 0.989 199 E CA 1.458 57.822 56.400 -0.059 0.000 0.800 199 E CB -0.480 29.115 29.700 -0.175 0.000 0.746 199 E HN 0.425 nan 8.360 nan 0.000 0.452 200 V N 0.087 119.988 119.914 -0.021 0.000 2.488 200 V HA -0.016 4.119 4.120 0.025 0.000 0.246 200 V C 1.606 177.770 176.094 0.116 0.000 1.046 200 V CA 1.084 63.431 62.300 0.078 0.000 1.053 200 V CB -1.008 30.914 31.823 0.165 0.000 0.679 200 V HN 0.441 nan 8.190 nan 0.000 0.458 201 G N 0.863 109.707 108.800 0.072 0.000 2.566 201 G HA2 -0.328 3.647 3.960 0.025 0.000 0.280 201 G HA3 -0.328 3.647 3.960 0.025 0.000 0.280 201 G C 0.236 175.181 174.900 0.075 0.000 1.225 201 G CA 0.408 45.546 45.100 0.064 0.000 0.966 201 G HN 0.360 nan 8.290 nan 0.000 0.560 202 D N 1.895 122.328 120.400 0.054 0.000 2.349 202 D HA 0.267 4.922 4.640 0.025 0.000 0.224 202 D C 1.627 177.939 176.300 0.020 0.000 1.029 202 D CA 1.015 55.037 54.000 0.037 0.000 0.879 202 D CB -0.573 40.238 40.800 0.018 0.000 0.906 202 D HN 0.771 nan 8.370 nan 0.000 0.528 203 G N 0.659 109.489 108.800 0.051 0.000 2.484 203 G HA2 0.302 4.277 3.960 0.025 0.000 0.235 203 G HA3 0.302 4.277 3.960 0.025 0.000 0.235 203 G C -0.007 174.847 174.900 -0.077 0.000 1.282 203 G CA -0.233 44.854 45.100 -0.022 0.000 0.857 203 G HN 0.143 nan 8.290 nan 0.000 0.571 204 I N 0.834 121.176 120.570 -0.379 0.000 2.436 204 I HA 0.380 4.565 4.170 0.025 0.000 0.289 204 I C -1.049 174.626 176.117 -0.738 0.000 1.010 204 I CA -0.570 60.522 61.300 -0.345 0.000 1.098 204 I CB 1.948 39.833 38.000 -0.192 0.000 1.266 204 I HN 0.466 nan 8.210 nan 0.000 0.434 205 W N 4.344 125.308 121.300 -0.561 0.000 2.785 205 W HA 0.513 5.189 4.660 0.026 0.000 0.333 205 W C -0.565 175.605 176.519 -0.581 0.000 1.062 205 W CA -0.446 56.498 57.345 -0.669 0.000 1.233 205 W CB 1.422 30.249 29.460 -1.056 0.000 1.413 205 W HN 0.308 nan 8.180 nan 0.000 0.489 206 Q N 1.314 121.048 119.800 -0.110 0.000 2.235 206 Q HA 0.572 4.927 4.340 0.025 0.000 0.250 206 Q C -0.779 175.244 176.000 0.038 0.000 0.909 206 Q CA -0.832 54.958 55.803 -0.022 0.000 0.910 206 Q CB 2.099 30.843 28.738 0.010 0.000 1.223 206 Q HN 0.235 nan 8.270 nan 0.000 0.432 207 V N 3.083 123.043 119.914 0.077 0.000 2.334 207 V HA 0.295 4.430 4.120 0.025 0.000 0.281 207 V C -0.432 175.636 176.094 -0.043 0.000 1.016 207 V CA -0.679 61.644 62.300 0.039 0.000 0.832 207 V CB 1.389 33.260 31.823 0.081 0.000 0.999 207 V HN 0.499 nan 8.190 nan 0.000 0.439 208 V N 6.520 126.382 119.914 -0.087 0.000 2.435 208 V HA 0.605 4.740 4.120 0.025 0.000 0.290 208 V C -0.053 175.910 176.094 -0.219 0.000 1.030 208 V CA -0.774 61.452 62.300 -0.123 0.000 0.881 208 V CB 1.804 33.601 31.823 -0.043 0.000 0.983 208 V HN 0.792 nan 8.190 nan 0.000 0.445 209 R N 5.383 125.672 120.500 -0.352 0.000 2.409 209 R HA 0.555 4.911 4.340 0.025 0.000 0.313 209 R C -0.450 175.673 176.300 -0.295 0.000 0.953 209 R CA -0.473 55.402 56.100 -0.374 0.000 0.849 209 R CB 2.018 31.972 30.300 -0.576 0.000 1.171 209 R HN 0.856 nan 8.270 nan 0.000 0.458 210 I N -0.210 120.195 120.570 -0.275 0.000 3.021 210 I HA 0.498 4.684 4.170 0.025 0.000 0.303 210 I C -2.224 173.660 176.117 -0.389 0.000 1.044 210 I CA -2.617 58.437 61.300 -0.411 0.000 1.266 210 I CB 0.662 38.272 38.000 -0.651 0.000 1.447 210 I HN 0.212 nan 8.210 nan 0.000 0.593 211 P HA 0.120 nan 4.420 nan 0.000 0.271 211 P C 0.214 177.363 177.300 -0.252 0.000 1.216 211 P CA -0.069 62.857 63.100 -0.290 0.000 0.771 211 P CB 0.795 32.322 31.700 -0.289 0.000 0.864 212 T N 2.549 117.022 114.554 -0.136 0.000 2.759 212 T HA -0.176 4.189 4.350 0.025 0.000 0.269 212 T C 1.626 176.272 174.700 -0.091 0.000 1.042 212 T CA 1.066 63.109 62.100 -0.096 0.000 1.140 212 T CB -0.686 68.170 68.868 -0.020 0.000 0.864 212 T HN 0.421 nan 8.240 nan 0.000 0.455 213 I N 0.815 121.336 120.570 -0.082 0.000 2.286 213 I HA -0.169 4.016 4.170 0.025 0.000 0.248 213 I C 2.128 178.195 176.117 -0.083 0.000 1.115 213 I CA 1.103 62.369 61.300 -0.057 0.000 1.392 213 I CB -0.003 37.976 38.000 -0.035 0.000 1.065 213 I HN 0.075 nan 8.210 nan 0.000 0.418 214 V N -0.081 119.727 119.914 -0.176 0.000 2.379 214 V HA -0.225 3.910 4.120 0.025 0.000 0.245 214 V C 2.503 178.505 176.094 -0.152 0.000 1.044 214 V CA 1.994 64.166 62.300 -0.213 0.000 1.036 214 V CB -0.426 31.061 31.823 -0.559 0.000 0.664 214 V HN 0.385 nan 8.190 nan 0.000 0.453 215 S N -0.415 115.178 115.700 -0.178 0.000 2.383 215 S HA -0.200 4.286 4.470 0.025 0.000 0.229 215 S C 2.117 176.691 174.600 -0.043 0.000 1.030 215 S CA 1.559 59.687 58.200 -0.121 0.000 1.002 215 S CB -0.271 62.825 63.200 -0.172 0.000 0.829 215 S HN 0.530 nan 8.310 nan 0.000 0.467 216 R N 0.292 120.773 120.500 -0.032 0.000 2.073 216 R HA 0.001 4.356 4.340 0.025 0.000 0.229 216 R C 2.431 178.747 176.300 0.027 0.000 1.120 216 R CA 1.560 57.670 56.100 0.017 0.000 0.967 216 R CB -0.712 29.602 30.300 0.023 0.000 0.862 216 R HN 0.296 nan 8.270 nan 0.000 0.436 217 T N 0.322 114.884 114.554 0.013 0.000 2.821 217 T HA -0.097 4.268 4.350 0.025 0.000 0.267 217 T C 1.479 176.205 174.700 0.043 0.000 1.046 217 T CA 0.913 63.030 62.100 0.029 0.000 1.139 217 T CB -0.033 68.853 68.868 0.029 0.000 0.871 217 T HN 0.273 nan 8.240 nan 0.000 0.454 218 C N 0.975 120.301 119.300 0.043 0.000 2.451 218 C HA 0.620 5.095 4.460 0.025 0.000 0.102 218 C C 0.111 175.150 174.990 0.082 0.000 2.708 218 C CA -0.639 58.417 59.018 0.065 0.000 1.944 218 C CB 0.627 28.412 27.740 0.075 0.000 2.859 218 C HN 0.692 nan 8.230 nan 0.000 0.331 219 D N -1.071 119.387 120.400 0.095 0.000 2.752 219 D HA 0.318 4.973 4.640 0.025 0.000 0.313 219 D C 0.619 176.993 176.300 0.124 0.000 1.225 219 D CA 0.168 54.253 54.000 0.142 0.000 0.976 219 D CB 0.537 41.437 40.800 0.167 0.000 1.443 219 D HN 0.507 nan 8.370 nan 0.000 0.515 220 G N -0.548 108.359 108.800 0.178 0.000 2.443 220 G HA2 0.045 4.020 3.960 0.025 0.000 0.219 220 G HA3 0.045 4.020 3.960 0.025 0.000 0.219 220 G C 1.260 176.243 174.900 0.138 0.000 1.131 220 G CA 0.983 46.165 45.100 0.136 0.000 0.775 220 G HN 0.682 nan 8.290 nan 0.000 0.547 221 A N 0.167 123.075 122.820 0.147 0.000 2.209 221 A HA 0.149 4.484 4.320 0.025 0.000 0.212 221 A C 2.367 180.039 177.584 0.147 0.000 1.158 221 A CA 1.861 53.982 52.037 0.140 0.000 0.742 221 A CB -0.495 18.573 19.000 0.113 0.000 0.790 221 A HN 0.241 nan 8.150 nan 0.000 0.472 222 T N -0.039 114.597 114.554 0.135 0.000 2.821 222 T HA -0.118 4.247 4.350 0.025 0.000 0.267 222 T C 2.009 176.814 174.700 0.175 0.000 1.046 222 T CA 1.934 64.127 62.100 0.156 0.000 1.139 222 T CB -0.395 68.552 68.868 0.132 0.000 0.871 222 T HN 0.558 nan 8.240 nan 0.000 0.454 223 T N 2.336 116.961 114.554 0.120 0.000 2.652 223 T HA -0.155 4.210 4.350 0.025 0.000 0.267 223 T C 2.452 177.230 174.700 0.129 0.000 1.039 223 T CA 1.854 64.003 62.100 0.082 0.000 1.153 223 T CB -0.544 68.340 68.868 0.028 0.000 0.863 223 T HN 0.626 nan 8.240 nan 0.000 0.428 224 S N 1.604 117.390 115.700 0.144 0.000 2.428 224 S HA -0.016 4.469 4.470 0.025 0.000 0.230 224 S C 2.009 176.685 174.600 0.126 0.000 1.014 224 S CA 0.436 58.691 58.200 0.091 0.000 0.957 224 S CB -0.309 62.923 63.200 0.055 0.000 0.784 224 S HN 0.443 nan 8.310 nan 0.000 0.499 225 R N -0.049 120.551 120.500 0.166 0.000 2.062 225 R HA -0.010 4.346 4.340 0.025 0.000 0.231 225 R C 2.201 178.596 176.300 0.158 0.000 1.136 225 R CA 1.390 57.575 56.100 0.142 0.000 0.948 225 R CB -0.508 29.875 30.300 0.137 0.000 0.845 225 R HN 0.580 nan 8.270 nan 0.000 0.430 226 W N 1.855 123.167 121.300 0.020 0.000 2.335 226 W HA -0.195 4.480 4.660 0.025 0.000 0.311 226 W C 2.214 178.731 176.519 -0.005 0.000 1.213 226 W CA 1.848 59.197 57.345 0.006 0.000 1.274 226 W CB -0.680 28.780 29.460 0.001 0.000 1.148 226 W HN 0.084 nan 8.180 nan 0.000 0.498 227 S N 0.886 116.784 115.700 0.331 0.000 2.368 227 S HA -0.256 4.229 4.470 0.025 0.000 0.226 227 S C 2.148 176.802 174.600 0.091 0.000 1.044 227 S CA 2.824 61.136 58.200 0.185 0.000 1.062 227 S CB -0.818 62.444 63.200 0.103 0.000 0.931 227 S HN 0.274 nan 8.310 nan 0.000 0.440 228 A N 1.511 124.373 122.820 0.070 0.000 1.969 228 A HA 0.008 4.343 4.320 0.025 0.000 0.218 228 A C 2.283 179.877 177.584 0.017 0.000 1.169 228 A CA 1.680 53.744 52.037 0.045 0.000 0.635 228 A CB -0.566 18.462 19.000 0.048 0.000 0.810 228 A HN 0.574 nan 8.150 nan 0.000 0.445 229 M N -0.511 119.072 119.600 -0.028 0.000 2.086 229 M HA -0.127 4.369 4.480 0.025 0.000 0.261 229 M C 2.055 178.301 176.300 -0.090 0.000 1.067 229 M CA 1.321 56.570 55.300 -0.084 0.000 1.116 229 M CB -1.357 31.131 32.600 -0.187 0.000 1.348 229 M HN 0.390 nan 8.290 nan 0.000 0.407 230 Q N -0.258 119.480 119.800 -0.103 0.000 2.269 230 Q HA 0.143 4.498 4.340 0.025 0.000 0.201 230 Q C 2.242 178.228 176.000 -0.023 0.000 0.946 230 Q CA 0.769 56.520 55.803 -0.086 0.000 0.877 230 Q CB -0.235 28.447 28.738 -0.094 0.000 0.963 230 Q HN 0.549 nan 8.270 nan 0.000 0.472 231 I N 0.548 121.135 120.570 0.028 0.000 2.163 231 I HA -0.239 3.946 4.170 0.025 0.000 0.243 231 I C 2.267 178.429 176.117 0.075 0.000 1.085 231 I CA 1.443 62.807 61.300 0.108 0.000 1.347 231 I CB -0.646 37.421 38.000 0.112 0.000 1.044 231 I HN 0.224 nan 8.210 nan 0.000 0.408 232 G N 0.711 109.524 108.800 0.021 0.000 2.446 232 G HA2 -0.244 3.731 3.960 0.025 0.000 0.217 232 G HA3 -0.244 3.731 3.960 0.025 0.000 0.217 232 G C 1.623 176.499 174.900 -0.041 0.000 1.168 232 G CA 0.569 45.660 45.100 -0.015 0.000 0.771 232 G HN 0.120 nan 8.290 nan 0.000 0.551 233 M N 1.260 120.841 119.600 -0.032 0.000 2.159 233 M HA -0.002 4.493 4.480 0.025 0.000 0.263 233 M C 2.711 178.995 176.300 -0.027 0.000 1.063 233 M CA 1.048 56.327 55.300 -0.037 0.000 1.110 233 M CB -1.128 31.443 32.600 -0.049 0.000 1.374 233 M HN 0.182 nan 8.290 nan 0.000 0.411 234 S N -0.097 115.598 115.700 -0.009 0.000 2.406 234 S HA 0.007 4.492 4.470 0.025 0.000 0.228 234 S C 1.943 176.629 174.600 0.144 0.000 1.020 234 S CA 0.823 59.019 58.200 -0.006 0.000 0.965 234 S CB -0.034 63.070 63.200 -0.160 0.000 0.798 234 S HN 0.377 nan 8.310 nan 0.000 0.488 235 M N 1.043 120.723 119.600 0.133 0.000 2.117 235 M HA 0.010 4.505 4.480 0.025 0.000 0.262 235 M C 2.056 178.326 176.300 -0.049 0.000 1.065 235 M CA 1.279 56.569 55.300 -0.017 0.000 1.114 235 M CB -1.190 31.081 32.600 -0.549 0.000 1.361 235 M HN 0.296 nan 8.290 nan 0.000 0.408 236 I N -0.517 119.999 120.570 -0.090 0.000 2.127 236 I HA -0.340 3.845 4.170 0.025 0.000 0.241 236 I C 2.775 178.896 176.117 0.006 0.000 1.075 236 I CA 1.565 62.843 61.300 -0.036 0.000 1.334 236 I CB -0.498 37.486 38.000 -0.028 0.000 1.040 236 I HN 0.307 nan 8.210 nan 0.000 0.405 237 S N 0.172 115.868 115.700 -0.006 0.000 2.356 237 S HA -0.151 4.334 4.470 0.025 0.000 0.223 237 S C 2.108 176.702 174.600 -0.010 0.000 1.032 237 S CA 1.476 59.668 58.200 -0.014 0.000 1.005 237 S CB -0.214 62.959 63.200 -0.044 0.000 0.867 237 S HN 0.474 nan 8.310 nan 0.000 0.449 238 A N -0.893 121.904 122.820 -0.039 0.000 2.016 238 A HA 0.182 4.517 4.320 0.025 0.000 0.217 238 A C 1.380 178.803 177.584 -0.268 0.000 1.162 238 A CA 0.819 52.778 52.037 -0.129 0.000 0.662 238 A CB -0.494 18.381 19.000 -0.209 0.000 0.812 238 A HN 0.705 nan 8.150 nan 0.000 0.450 239 Y N -1.062 119.259 120.300 0.036 0.000 2.531 239 Y HA 0.254 4.819 4.550 0.025 0.000 0.249 239 Y C 0.340 176.248 175.900 0.015 0.000 1.168 239 Y CA -0.209 57.902 58.100 0.018 0.000 1.226 239 Y CB 0.285 38.734 38.460 -0.017 0.000 1.177 239 Y HN 0.247 nan 8.280 nan 0.000 0.527 240 K N 0.546 121.003 120.400 0.096 0.000 3.129 240 K HA -0.252 4.083 4.320 0.025 0.000 0.273 240 K C -0.225 176.419 176.600 0.074 0.000 1.123 240 K CA 0.350 56.676 56.287 0.065 0.000 0.800 240 K CB -1.437 31.092 32.500 0.048 0.000 1.238 240 K HN 0.533 nan 8.250 nan 0.000 0.492 241 Q N 0.050 119.899 119.800 0.080 0.000 2.524 241 Q HA 0.295 4.650 4.340 0.025 0.000 0.246 241 Q C 0.680 176.710 176.000 0.051 0.000 1.063 241 Q CA 0.294 56.142 55.803 0.075 0.000 0.945 241 Q CB 0.437 29.219 28.738 0.073 0.000 1.292 241 Q HN 0.406 nan 8.270 nan 0.000 0.518 242 A N 0.786 123.635 122.820 0.048 0.000 2.555 242 A HA 0.253 4.588 4.320 0.025 0.000 0.233 242 A C 0.043 177.648 177.584 0.034 0.000 1.060 242 A CA 0.478 52.537 52.037 0.036 0.000 0.759 242 A CB 0.014 19.034 19.000 0.033 0.000 0.995 242 A HN 0.722 nan 8.150 nan 0.000 0.506 243 A N 2.119 124.953 122.820 0.024 0.000 2.990 243 A HA 0.538 4.873 4.320 0.025 0.000 0.282 243 A C 1.035 178.631 177.584 0.021 0.000 1.688 243 A CA 0.404 52.452 52.037 0.018 0.000 1.391 243 A CB -1.395 17.612 19.000 0.011 0.000 1.112 243 A HN 2.686 nan 8.150 nan 0.000 0.588 244 G N 1.736 110.555 108.800 0.032 0.000 2.905 244 G HA2 0.058 4.033 3.960 0.025 0.000 0.210 244 G HA3 0.058 4.033 3.960 0.025 0.000 0.210 244 G C -0.643 174.279 174.900 0.037 0.000 0.991 244 G CA -0.142 44.978 45.100 0.034 0.000 1.210 244 G HN 1.067 nan 8.290 nan 0.000 0.602 245 E N -0.167 120.063 120.200 0.051 0.000 2.370 245 E HA 0.832 5.197 4.350 0.025 0.000 0.259 245 E C 1.470 178.098 176.600 0.046 0.000 0.947 245 E CA -0.522 55.904 56.400 0.044 0.000 0.809 245 E CB 1.121 30.849 29.700 0.047 0.000 1.300 245 E HN 0.810 nan 8.360 nan 0.000 0.419 246 A N 0.700 123.536 122.820 0.026 0.000 1.940 246 A HA -0.143 4.192 4.320 0.025 0.000 0.219 246 A C 2.239 179.830 177.584 0.012 0.000 1.176 246 A CA 2.123 54.166 52.037 0.010 0.000 0.631 246 A CB -1.245 17.750 19.000 -0.008 0.000 0.814 246 A HN 0.693 nan 8.150 nan 0.000 0.446 247 A N -0.853 121.984 122.820 0.029 0.000 2.019 247 A HA -0.076 4.260 4.320 0.025 0.000 0.219 247 A C 2.198 179.849 177.584 0.112 0.000 1.164 247 A CA 2.146 54.193 52.037 0.016 0.000 0.644 247 A CB -1.208 17.824 19.000 0.052 0.000 0.805 247 A HN 0.455 nan 8.150 nan 0.000 0.449 248 T N -0.150 114.525 114.554 0.202 0.000 2.803 248 T HA -0.088 4.277 4.350 0.025 0.000 0.269 248 T C 1.914 176.745 174.700 0.218 0.000 1.052 248 T CA 1.382 63.657 62.100 0.291 0.000 1.136 248 T CB -0.538 68.422 68.868 0.154 0.000 0.864 248 T HN 0.597 nan 8.240 nan 0.000 0.467 249 G N 1.443 110.302 108.800 0.098 0.000 2.432 249 G HA2 -0.204 3.772 3.960 0.025 0.000 0.219 249 G HA3 -0.204 3.772 3.960 0.025 0.000 0.219 249 G C 1.277 176.204 174.900 0.045 0.000 1.135 249 G CA 0.720 45.859 45.100 0.064 0.000 0.767 249 G HN 0.375 nan 8.290 nan 0.000 0.550 250 D N 0.534 120.901 120.400 -0.056 0.000 2.144 250 D HA -0.072 4.584 4.640 0.025 0.000 0.199 250 D C 2.129 178.350 176.300 -0.132 0.000 0.984 250 D CA 0.585 54.493 54.000 -0.152 0.000 0.834 250 D CB -0.363 40.229 40.800 -0.347 0.000 0.955 250 D HN 0.416 nan 8.370 nan 0.000 0.465 251 F N 1.341 121.299 119.950 0.012 0.000 2.186 251 F HA -0.087 4.455 4.527 0.025 0.000 0.299 251 F C 2.502 178.311 175.800 0.016 0.000 1.090 251 F CA 0.819 58.817 58.000 -0.004 0.000 1.307 251 F CB -0.412 38.578 39.000 -0.017 0.000 1.019 251 F HN -0.082 nan 8.300 nan 0.000 0.489 252 A N -0.476 122.472 122.820 0.213 0.000 1.858 252 A HA -0.268 4.067 4.320 0.025 0.000 0.216 252 A C 2.032 179.693 177.584 0.129 0.000 1.190 252 A CA 1.623 53.748 52.037 0.146 0.000 0.617 252 A CB -1.445 17.631 19.000 0.127 0.000 0.827 252 A HN 0.473 nan 8.150 nan 0.000 0.443 253 Y N 0.635 120.942 120.300 0.013 0.000 2.224 253 Y HA -0.045 4.520 4.550 0.025 0.000 0.289 253 Y C 2.618 178.516 175.900 -0.003 0.000 1.146 253 Y CA 0.953 59.050 58.100 -0.005 0.000 1.182 253 Y CB -0.458 37.977 38.460 -0.042 0.000 0.983 253 Y HN 0.315 nan 8.280 nan 0.000 0.524 254 A N 0.247 123.073 122.820 0.009 0.000 1.877 254 A HA -0.102 4.233 4.320 0.025 0.000 0.216 254 A C 2.392 179.947 177.584 -0.050 0.000 1.186 254 A CA 1.924 53.938 52.037 -0.038 0.000 0.620 254 A CB -1.418 17.594 19.000 0.021 0.000 0.822 254 A HN 0.542 nan 8.150 nan 0.000 0.443 255 A N -0.879 121.937 122.820 -0.006 0.000 2.014 255 A HA 0.094 4.429 4.320 0.025 0.000 0.218 255 A C 1.413 178.982 177.584 -0.024 0.000 1.163 255 A CA 0.961 52.995 52.037 -0.004 0.000 0.652 255 A CB -0.088 18.933 19.000 0.034 0.000 0.808 255 A HN 0.529 nan 8.150 nan 0.000 0.449 259 E N 0.078 120.312 120.200 0.056 0.000 3.191 259 E HA 0.497 4.862 4.350 0.025 0.000 0.192 259 E C -0.686 175.972 176.600 0.098 0.000 0.972 259 E CA -0.155 56.295 56.400 0.083 0.000 1.266 259 E CB 0.683 30.342 29.700 -0.068 0.000 1.076 259 E HN 0.272 nan 8.360 nan 0.000 0.462 260 V N 1.764 121.710 119.914 0.053 0.000 2.532 260 V HA 0.381 4.516 4.120 0.025 0.000 0.295 260 V C -0.790 175.317 176.094 0.022 0.000 1.041 260 V CA -0.822 61.479 62.300 0.002 0.000 0.926 260 V CB 1.385 33.144 31.823 -0.108 0.000 0.992 260 V HN 0.298 nan 8.190 nan 0.000 0.457 261 I N 6.477 127.036 120.570 -0.018 0.000 2.390 261 I HA 0.439 4.624 4.170 0.025 0.000 0.283 261 I C 0.204 176.309 176.117 -0.019 0.000 1.016 261 I CA -0.480 60.822 61.300 0.004 0.000 1.151 261 I CB 0.694 38.654 38.000 -0.067 0.000 1.293 261 I HN 0.609 nan 8.210 nan 0.000 0.458 262 H N 5.567 124.702 119.070 0.108 0.000 2.615 262 H HA 0.265 4.836 4.556 0.025 0.000 0.363 262 H C 0.942 176.389 175.328 0.198 0.000 1.148 262 H CA -0.286 55.835 56.048 0.121 0.000 1.401 262 H CB 1.746 31.569 29.762 0.101 0.000 1.461 262 H HN 0.417 nan 8.280 nan 0.000 0.588 263 M N 0.992 120.775 119.600 0.306 0.000 2.200 263 M HA 0.043 4.538 4.480 0.025 0.000 0.265 263 M C 1.166 177.623 176.300 0.261 0.000 1.066 263 M CA 0.752 56.244 55.300 0.321 0.000 1.127 263 M CB -0.401 32.341 32.600 0.237 0.000 1.379 263 M HN 0.593 nan 8.290 nan 0.000 0.420 264 G N 0.306 109.207 108.800 0.169 0.000 2.591 264 G HA2 0.508 4.483 3.960 0.025 0.000 0.306 264 G HA3 0.508 4.483 3.960 0.025 0.000 0.306 264 G C -0.504 174.379 174.900 -0.028 0.000 1.334 264 G CA -0.493 44.617 45.100 0.018 0.000 0.981 264 G HN 0.246 nan 8.290 nan 0.000 0.491 265 T N -0.878 113.598 114.554 -0.130 0.000 2.849 265 T HA 0.527 4.892 4.350 0.025 0.000 0.284 265 T C 0.405 174.992 174.700 -0.189 0.000 1.004 265 T CA -0.545 61.439 62.100 -0.194 0.000 1.021 265 T CB 0.851 69.559 68.868 -0.266 0.000 1.013 265 T HN 0.737 nan 8.240 nan 0.000 0.527 266 Y N 0.452 120.687 120.300 -0.109 0.000 2.330 266 Y HA 0.630 5.196 4.550 0.026 0.000 0.341 266 Y C -0.490 175.381 175.900 -0.048 0.000 1.278 266 Y CA -1.575 56.485 58.100 -0.067 0.000 1.453 266 Y CB 0.120 38.548 38.460 -0.054 0.000 1.342 266 Y HN 0.568 nan 8.280 nan 0.000 0.590 267 L N 3.112 124.443 121.223 0.179 0.000 2.330 267 L HA 0.519 4.874 4.340 0.025 0.000 0.271 267 L C -2.026 174.952 176.870 0.180 0.000 1.013 267 L CA -2.366 52.534 54.840 0.099 0.000 0.816 267 L CB 1.826 43.962 42.059 0.127 0.000 1.287 267 L HN 0.575 nan 8.230 nan 0.000 0.435 268 P HA 0.053 nan 4.420 nan 0.000 0.273 268 P C 0.866 178.224 177.300 0.097 0.000 1.250 268 P CA -0.436 62.726 63.100 0.104 0.000 0.793 268 P CB 0.822 32.551 31.700 0.048 0.000 1.011 269 V N -0.490 119.469 119.914 0.075 0.000 2.407 269 V HA -0.185 3.951 4.120 0.025 0.000 0.248 269 V C 1.887 178.014 176.094 0.055 0.000 1.055 269 V CA 1.535 63.872 62.300 0.061 0.000 1.049 269 V CB -0.906 30.942 31.823 0.042 0.000 0.662 269 V HN 0.589 nan 8.190 nan 0.000 0.455 273 R N 0.326 120.938 120.500 0.186 0.000 2.634 273 R HA 0.590 4.945 4.340 0.025 0.000 0.263 273 R C 0.509 176.918 176.300 0.181 0.000 1.060 273 R CA 0.171 56.395 56.100 0.206 0.000 0.898 273 R CB 1.834 32.292 30.300 0.264 0.000 1.253 273 R HN 1.433 nan 8.270 nan 0.000 0.461 274 G N 0.780 109.675 108.800 0.158 0.000 2.516 274 G HA2 0.237 4.212 3.960 0.025 0.000 0.276 274 G HA3 0.237 4.212 3.960 0.025 0.000 0.276 274 G C -0.630 174.347 174.900 0.128 0.000 1.390 274 G CA -0.384 44.796 45.100 0.133 0.000 1.050 274 G HN 0.507 nan 8.290 nan 0.000 0.519 275 E N -0.750 119.492 120.200 0.070 0.000 2.409 275 E HA 0.179 4.544 4.350 0.025 0.000 0.257 275 E C 0.256 176.921 176.600 0.107 0.000 1.150 275 E CA 0.262 56.661 56.400 -0.001 0.000 0.942 275 E CB 0.192 29.723 29.700 -0.282 0.000 0.979 275 E HN 0.422 nan 8.360 nan 0.000 0.447 276 N N 0.981 119.759 118.700 0.132 0.000 2.758 276 N HA -0.160 4.596 4.740 0.025 0.000 0.248 276 N C -1.358 174.328 175.510 0.294 0.000 1.076 276 N CA 0.832 54.001 53.050 0.198 0.000 0.696 276 N CB -0.677 37.916 38.487 0.177 0.000 0.979 276 N HN 0.344 nan 8.380 nan 0.000 0.550 277 E N -1.390 118.928 120.200 0.197 0.000 2.281 277 E HA 0.382 4.748 4.350 0.025 0.000 0.262 277 E C -1.626 174.793 176.600 -0.302 0.000 0.933 277 E CA -1.747 54.722 56.400 0.115 0.000 0.809 277 E CB 0.884 30.608 29.700 0.040 0.000 1.242 277 E HN -0.096 nan 8.360 nan 0.000 0.418 278 P HA -0.074 nan 4.420 nan 0.000 0.217 278 P C 1.214 177.834 177.300 -1.134 0.000 1.150 278 P CA 1.369 63.851 63.100 -1.030 0.000 0.832 278 P CB 0.181 31.169 31.700 -1.186 0.000 0.787 279 G N -0.487 107.109 108.800 -2.006 0.000 2.509 279 G HA2 -0.140 3.835 3.960 0.025 0.000 0.218 279 G HA3 -0.140 3.835 3.960 0.025 0.000 0.218 279 G C 1.544 176.057 174.900 -0.646 0.000 1.124 279 G CA 0.738 44.951 45.100 -1.479 0.000 0.776 279 G HN 0.387 nan 8.290 nan 0.000 0.547 280 G N -0.366 108.141 108.800 -0.489 0.000 2.985 280 G HA2 0.248 4.223 3.960 0.025 0.000 0.209 280 G HA3 0.248 4.223 3.960 0.025 0.000 0.209 280 G C 0.259 175.000 174.900 -0.264 0.000 1.165 280 G CA -0.031 44.887 45.100 -0.304 0.000 0.776 280 G HN 0.239 nan 8.290 nan 0.000 0.541 281 V N 3.903 123.682 119.914 -0.225 0.000 2.389 281 V HA 0.215 4.351 4.120 0.025 0.000 0.264 281 V C -1.626 174.368 176.094 -0.166 0.000 1.049 281 V CA -1.779 60.453 62.300 -0.112 0.000 0.932 281 V CB 1.220 33.068 31.823 0.041 0.000 1.011 281 V HN 0.121 nan 8.190 nan 0.000 0.475 282 P HA 0.143 nan 4.420 nan 0.000 0.272 282 P C 0.831 178.084 177.300 -0.079 0.000 1.230 282 P CA -0.100 62.789 63.100 -0.352 0.000 0.788 282 P CB 0.799 32.303 31.700 -0.326 0.000 0.949 283 F N 0.585 120.535 119.950 0.000 0.000 2.161 283 F HA -0.145 4.398 4.527 0.026 0.000 0.300 283 F C 2.710 178.577 175.800 0.112 0.000 1.089 283 F CA 1.274 59.318 58.000 0.072 0.000 1.282 283 F CB -1.060 37.932 39.000 -0.013 0.000 1.010 283 F HN 0.396 nan 8.300 nan 0.000 0.485 284 G N -0.972 107.981 108.800 0.255 0.000 2.422 284 G HA2 -0.237 3.739 3.960 0.025 0.000 0.218 284 G HA3 -0.237 3.739 3.960 0.025 0.000 0.218 284 G C 1.398 176.594 174.900 0.493 0.000 1.140 284 G CA 0.447 45.749 45.100 0.338 0.000 0.775 284 G HN 0.397 nan 8.290 nan 0.000 0.545 285 Y N -0.454 120.018 120.300 0.287 0.000 2.200 285 Y HA -0.016 4.549 4.550 0.025 0.000 0.290 285 Y C 2.741 178.671 175.900 0.049 0.000 1.137 285 Y CA 0.015 58.197 58.100 0.136 0.000 1.163 285 Y CB 0.002 38.511 38.460 0.083 0.000 0.988 285 Y HN 0.078 nan 8.280 nan 0.000 0.518 286 L N 0.291 121.672 121.223 0.263 0.000 2.046 286 L HA -0.225 4.130 4.340 0.025 0.000 0.208 286 L C 2.427 179.346 176.870 0.082 0.000 1.077 286 L CA 2.042 56.952 54.840 0.116 0.000 0.747 286 L CB -1.176 40.989 42.059 0.176 0.000 0.896 286 L HN 0.234 nan 8.230 nan 0.000 0.432 287 A N -0.416 122.494 122.820 0.151 0.000 1.940 287 A HA -0.234 4.101 4.320 0.025 0.000 0.219 287 A C 1.865 179.506 177.584 0.096 0.000 1.176 287 A CA 1.910 54.022 52.037 0.125 0.000 0.631 287 A CB -0.522 18.568 19.000 0.151 0.000 0.814 287 A HN 0.507 nan 8.150 nan 0.000 0.446 288 D N -0.332 120.122 120.400 0.091 0.000 2.194 288 D HA -0.013 4.642 4.640 0.025 0.000 0.204 288 D C 1.842 178.116 176.300 -0.043 0.000 0.964 288 D CA 0.682 54.713 54.000 0.052 0.000 0.846 288 D CB -0.241 40.581 40.800 0.038 0.000 0.962 288 D HN 0.525 nan 8.370 nan 0.000 0.490 289 I N 0.661 121.116 120.570 -0.191 0.000 2.179 289 I HA -0.200 3.985 4.170 0.025 0.000 0.242 289 I C 1.456 177.402 176.117 -0.286 0.000 1.088 289 I CA 0.315 61.279 61.300 -0.559 0.000 1.357 289 I CB -0.101 37.386 38.000 -0.856 0.000 1.051 289 I HN 0.036 nan 8.210 nan 0.000 0.409 290 C N 2.832 122.100 119.300 -0.054 0.000 2.596 290 C HA -0.050 4.425 4.460 0.025 0.000 0.414 290 C C 1.602 176.673 174.990 0.135 0.000 1.396 290 C CA -0.104 58.988 59.018 0.123 0.000 1.698 290 C CB -0.088 27.714 27.740 0.104 0.000 2.572 290 C HN 0.415 nan 8.230 nan 0.000 0.604 291 Q N 3.311 123.227 119.800 0.194 0.000 2.220 291 Q HA 0.020 4.376 4.340 0.025 0.000 0.205 291 Q C 2.036 178.106 176.000 0.115 0.000 0.865 291 Q CA 0.279 56.173 55.803 0.153 0.000 0.960 291 Q CB 0.247 29.086 28.738 0.168 0.000 1.097 291 Q HN 0.931 nan 8.270 nan 0.000 0.493 292 S N 1.344 117.112 115.700 0.113 0.000 2.383 292 S HA -0.170 4.315 4.470 0.025 0.000 0.229 292 S C 2.062 176.730 174.600 0.114 0.000 1.030 292 S CA 1.754 60.008 58.200 0.089 0.000 1.002 292 S CB 0.083 63.328 63.200 0.075 0.000 0.829 292 S HN 0.598 nan 8.310 nan 0.000 0.467 293 S N 2.351 118.137 115.700 0.144 0.000 2.402 293 S HA -0.221 4.264 4.470 0.025 0.000 0.233 293 S C 1.834 176.582 174.600 0.247 0.000 1.030 293 S CA 1.344 59.657 58.200 0.188 0.000 1.003 293 S CB -0.725 62.591 63.200 0.194 0.000 0.813 293 S HN 0.854 nan 8.310 nan 0.000 0.477 294 R N 1.108 121.724 120.500 0.193 0.000 2.280 294 R HA 0.226 4.581 4.340 0.025 0.000 0.195 294 R C 1.802 178.245 176.300 0.239 0.000 0.935 294 R CA 0.868 57.070 56.100 0.170 0.000 1.033 294 R CB -0.325 29.882 30.300 -0.154 0.000 0.964 294 R HN 0.539 nan 8.270 nan 0.000 0.489 295 V N -3.234 116.786 119.914 0.177 0.000 3.455 295 V HA 0.282 4.417 4.120 0.025 0.000 0.250 295 V C 0.512 176.582 176.094 -0.040 0.000 1.230 295 V CA -0.032 62.325 62.300 0.095 0.000 1.105 295 V CB 0.173 32.011 31.823 0.024 0.000 0.850 295 V HN 0.156 nan 8.190 nan 0.000 0.461 296 N N 0.616 119.297 118.700 -0.032 0.000 2.401 296 N HA 0.230 4.986 4.740 0.025 0.000 0.264 296 N C 0.852 176.281 175.510 -0.135 0.000 1.238 296 N CA 0.184 53.160 53.050 -0.123 0.000 0.889 296 N CB 0.373 38.844 38.487 -0.027 0.000 1.196 296 N HN 0.833 nan 8.380 nan 0.000 0.511 297 Y N -0.060 120.261 120.300 0.034 0.000 2.571 297 Y HA 0.195 4.760 4.550 0.025 0.000 0.294 297 Y C 1.344 177.256 175.900 0.020 0.000 1.141 297 Y CA 0.345 58.467 58.100 0.036 0.000 1.308 297 Y CB -0.289 38.201 38.460 0.050 0.000 1.002 297 Y HN -0.022 nan 8.280 nan 0.000 0.551 298 E N 0.238 120.292 120.200 -0.243 0.000 2.489 298 E HA -0.052 4.314 4.350 0.025 0.000 0.193 298 E C -0.198 176.369 176.600 -0.055 0.000 1.057 298 E CA 0.323 56.676 56.400 -0.080 0.000 0.866 298 E CB 0.164 29.791 29.700 -0.122 0.000 0.916 298 E HN 0.298 nan 8.360 nan 0.000 0.500 299 D N 0.289 120.659 120.400 -0.050 0.000 2.375 299 D HA 0.089 4.744 4.640 0.025 0.000 0.259 299 D C -1.951 174.329 176.300 -0.033 0.000 1.235 299 D CA -2.310 51.680 54.000 -0.016 0.000 0.924 299 D CB 1.298 42.116 40.800 0.030 0.000 1.143 299 D HN -0.170 nan 8.370 nan 0.000 0.529 300 P HA -0.102 nan 4.420 nan 0.000 0.221 300 P C 1.590 178.831 177.300 -0.098 0.000 1.150 300 P CA 0.324 63.347 63.100 -0.128 0.000 0.800 300 P CB 0.721 32.229 31.700 -0.319 0.000 0.787 301 V N 0.938 120.734 119.914 -0.198 0.000 2.307 301 V HA -0.208 3.927 4.120 0.025 0.000 0.245 301 V C 2.923 178.958 176.094 -0.097 0.000 1.045 301 V CA 2.062 64.254 62.300 -0.179 0.000 1.024 301 V CB -1.161 30.216 31.823 -0.743 0.000 0.651 301 V HN 0.064 nan 8.190 nan 0.000 0.449 302 R N 0.603 121.076 120.500 -0.044 0.000 2.091 302 R HA -0.132 4.223 4.340 0.025 0.000 0.238 302 R C 2.001 178.326 176.300 0.043 0.000 1.136 302 R CA 2.011 58.131 56.100 0.033 0.000 0.959 302 R CB -1.131 29.213 30.300 0.073 0.000 0.856 302 R HN 0.340 nan 8.270 nan 0.000 0.437 303 V N 0.119 120.065 119.914 0.052 0.000 2.295 303 V HA -0.241 3.894 4.120 0.025 0.000 0.246 303 V C 2.223 178.372 176.094 0.092 0.000 1.049 303 V CA 2.280 64.628 62.300 0.079 0.000 1.024 303 V CB -0.665 31.218 31.823 0.100 0.000 0.648 303 V HN 0.394 nan 8.190 nan 0.000 0.447 304 S N -0.004 115.766 115.700 0.116 0.000 2.382 304 S HA -0.064 4.421 4.470 0.025 0.000 0.228 304 S C 1.845 176.493 174.600 0.079 0.000 1.027 304 S CA 1.394 59.667 58.200 0.121 0.000 0.991 304 S CB -0.308 63.006 63.200 0.190 0.000 0.823 304 S HN 0.465 nan 8.310 nan 0.000 0.469 305 L N 1.065 122.328 121.223 0.066 0.000 2.313 305 L HA -0.027 4.328 4.340 0.025 0.000 0.214 305 L C 1.804 178.709 176.870 0.058 0.000 1.119 305 L CA 0.693 55.569 54.840 0.060 0.000 0.809 305 L CB -0.542 41.547 42.059 0.050 0.000 0.933 305 L HN 0.178 nan 8.230 nan 0.000 0.449 306 D N 0.051 120.479 120.400 0.046 0.000 2.144 306 D HA -0.132 4.524 4.640 0.025 0.000 0.200 306 D C 2.341 178.659 176.300 0.031 0.000 0.978 306 D CA 1.006 55.019 54.000 0.022 0.000 0.833 306 D CB 0.008 40.821 40.800 0.021 0.000 0.961 306 D HN 0.068 nan 8.370 nan 0.000 0.470 307 V N 0.731 120.679 119.914 0.056 0.000 2.295 307 V HA -0.210 3.925 4.120 0.025 0.000 0.246 307 V C 2.679 178.807 176.094 0.056 0.000 1.049 307 V CA 1.042 63.379 62.300 0.061 0.000 1.024 307 V CB -0.483 31.386 31.823 0.076 0.000 0.648 307 V HN 0.056 nan 8.190 nan 0.000 0.447 308 V N 0.367 120.316 119.914 0.059 0.000 2.332 308 V HA -0.281 3.854 4.120 0.025 0.000 0.248 308 V C 2.706 178.869 176.094 0.116 0.000 1.055 308 V CA 2.048 64.390 62.300 0.071 0.000 1.038 308 V CB -1.201 30.665 31.823 0.072 0.000 0.651 308 V HN 0.567 nan 8.190 nan 0.000 0.450 309 A N -0.120 122.769 122.820 0.115 0.000 1.877 309 A HA -0.236 4.100 4.320 0.025 0.000 0.216 309 A C 2.414 180.069 177.584 0.119 0.000 1.186 309 A CA 2.556 54.675 52.037 0.135 0.000 0.620 309 A CB -1.074 17.923 19.000 -0.004 0.000 0.822 309 A HN 0.506 nan 8.150 nan 0.000 0.443 310 T N -0.250 114.329 114.554 0.043 0.000 2.635 310 T HA -0.103 4.262 4.350 0.025 0.000 0.267 310 T C 1.927 176.628 174.700 0.001 0.000 1.040 310 T CA 1.751 63.877 62.100 0.044 0.000 1.156 310 T CB -0.695 68.186 68.868 0.021 0.000 0.863 310 T HN 0.589 nan 8.240 nan 0.000 0.430 311 G N 0.598 109.390 108.800 -0.013 0.000 2.408 311 G HA2 0.132 4.107 3.960 0.025 0.000 0.215 311 G HA3 0.132 4.107 3.960 0.025 0.000 0.215 311 G C 1.833 176.774 174.900 0.070 0.000 1.156 311 G CA 0.748 45.796 45.100 -0.086 0.000 0.793 311 G HN 0.574 nan 8.290 nan 0.000 0.535 312 A N 0.643 123.551 122.820 0.147 0.000 1.902 312 A HA 0.009 4.344 4.320 0.025 0.000 0.217 312 A C 2.298 179.996 177.584 0.190 0.000 1.181 312 A CA 1.989 54.146 52.037 0.201 0.000 0.623 312 A CB -0.394 18.766 19.000 0.266 0.000 0.818 312 A HN 0.335 nan 8.150 nan 0.000 0.443 313 M N -0.619 119.071 119.600 0.149 0.000 2.059 313 M HA -0.106 4.390 4.480 0.025 0.000 0.259 313 M C 2.133 178.404 176.300 -0.048 0.000 1.072 313 M CA 1.995 57.302 55.300 0.012 0.000 1.117 313 M CB -0.900 31.566 32.600 -0.224 0.000 1.320 313 M HN 0.386 nan 8.290 nan 0.000 0.408 314 L N 0.088 121.245 121.223 -0.110 0.000 1.994 314 L HA -0.207 4.148 4.340 0.025 0.000 0.208 314 L C 2.101 178.908 176.870 -0.105 0.000 1.071 314 L CA 2.021 56.728 54.840 -0.221 0.000 0.745 314 L CB -1.255 40.578 42.059 -0.378 0.000 0.892 314 L HN 0.383 nan 8.230 nan 0.000 0.431 315 Y N -0.962 119.349 120.300 0.018 0.000 2.220 315 Y HA -0.155 4.410 4.550 0.025 0.000 0.291 315 Y C 2.261 178.264 175.900 0.172 0.000 1.129 315 Y CA 0.658 58.827 58.100 0.115 0.000 1.161 315 Y CB -0.083 38.448 38.460 0.118 0.000 0.997 315 Y HN 0.252 nan 8.280 nan 0.000 0.522 316 D N -0.743 119.822 120.400 0.275 0.000 2.201 316 D HA -0.079 4.576 4.640 0.025 0.000 0.209 316 D C 1.933 178.378 176.300 0.242 0.000 0.961 316 D CA 0.962 55.107 54.000 0.241 0.000 0.861 316 D CB -0.154 40.761 40.800 0.192 0.000 0.997 316 D HN 0.376 nan 8.370 nan 0.000 0.486 317 Q N -0.109 119.767 119.800 0.127 0.000 2.061 317 Q HA 0.104 4.459 4.340 0.025 0.000 0.195 317 Q C 2.256 178.145 176.000 -0.184 0.000 0.967 317 Q CA 0.694 56.523 55.803 0.044 0.000 0.829 317 Q CB 0.456 29.209 28.738 0.026 0.000 0.900 317 Q HN 0.262 nan 8.270 nan 0.000 0.450 318 I N -0.517 119.861 120.570 -0.320 0.000 2.385 318 I HA -0.149 4.036 4.170 0.025 0.000 0.244 318 I C 2.178 178.207 176.117 -0.147 0.000 1.089 318 I CA 0.637 61.591 61.300 -0.577 0.000 1.410 318 I CB -0.281 37.380 38.000 -0.565 0.000 1.117 318 I HN 0.407 nan 8.210 nan 0.000 0.429 319 W N 1.988 123.146 121.300 -0.236 0.000 2.424 319 W HA -0.127 4.548 4.660 0.025 0.000 0.323 319 W C 2.167 178.691 176.519 0.008 0.000 1.175 319 W CA 1.109 58.355 57.345 -0.165 0.000 1.312 319 W CB -0.307 29.034 29.460 -0.198 0.000 1.186 319 W HN -0.017 nan 8.180 nan 0.000 0.463 320 L N 0.903 122.068 121.223 -0.096 0.000 2.141 320 L HA -0.060 4.296 4.340 0.025 0.000 0.209 320 L C 2.612 179.527 176.870 0.076 0.000 1.094 320 L CA 1.464 56.243 54.840 -0.102 0.000 0.763 320 L CB -1.314 40.816 42.059 0.119 0.000 0.908 320 L HN 0.165 nan 8.230 nan 0.000 0.437 321 G N -2.231 106.619 108.800 0.083 0.000 2.985 321 G HA2 -0.028 3.947 3.960 0.025 0.000 0.209 321 G HA3 -0.028 3.947 3.960 0.025 0.000 0.209 321 G C 1.383 176.163 174.900 -0.200 0.000 1.165 321 G CA 0.833 45.784 45.100 -0.248 0.000 0.776 321 G HN 0.317 nan 8.290 nan 0.000 0.541 322 S N -1.961 113.663 115.700 -0.126 0.000 4.198 322 S HA 0.114 4.599 4.470 0.025 0.000 0.202 322 S C 1.613 176.163 174.600 -0.083 0.000 1.124 322 S CA -0.131 58.033 58.200 -0.061 0.000 1.050 322 S CB -0.570 62.618 63.200 -0.021 0.000 1.401 322 S HN 0.131 nan 8.310 nan 0.000 0.589 323 Y N 1.796 121.963 120.300 -0.221 0.000 2.151 323 Y HA -0.028 4.537 4.550 0.025 0.000 0.284 323 Y C 2.261 177.935 175.900 -0.377 0.000 1.166 323 Y CA 1.727 59.681 58.100 -0.243 0.000 1.163 323 Y CB -0.033 38.287 38.460 -0.234 0.000 0.974 323 Y HN 0.293 nan 8.280 nan 0.000 0.511 324 M N -1.607 117.779 119.600 -0.355 0.000 2.371 324 M HA 0.149 4.644 4.480 0.025 0.000 0.246 324 M C 1.042 177.238 176.300 -0.174 0.000 1.103 324 M CA 0.642 55.727 55.300 -0.357 0.000 1.010 324 M CB -0.361 31.898 32.600 -0.570 0.000 1.457 324 M HN 0.360 nan 8.290 nan 0.000 0.486 325 S N -1.104 114.512 115.700 -0.140 0.000 5.007 325 S HA 0.705 5.190 4.470 0.025 0.000 0.151 325 S C 0.646 175.177 174.600 -0.115 0.000 1.182 325 S CA 0.331 58.465 58.200 -0.109 0.000 1.145 325 S CB 0.827 63.967 63.200 -0.100 0.000 2.073 325 S HN 0.490 nan 8.310 nan 0.000 0.745 326 G N -0.158 108.543 108.800 -0.165 0.000 2.462 326 G HA2 0.468 4.443 3.960 0.025 0.000 0.685 326 G HA3 0.468 4.443 3.960 0.025 0.000 0.685 326 G C 0.596 175.435 174.900 -0.101 0.000 1.295 326 G CA 0.284 45.328 45.100 -0.093 0.000 0.941 326 G HN 2.518 nan 8.290 nan 0.000 0.554 327 G N -2.137 106.640 108.800 -0.039 0.000 2.484 327 G HA2 0.110 4.085 3.960 0.025 0.000 0.225 327 G HA3 0.110 4.085 3.960 0.025 0.000 0.225 327 G C 1.189 176.095 174.900 0.010 0.000 1.250 327 G CA 1.066 46.147 45.100 -0.032 0.000 0.926 327 G HN 2.006 nan 8.290 nan 0.000 0.581 328 V N 2.037 121.960 119.914 0.016 0.000 2.317 328 V HA 0.189 4.324 4.120 0.025 0.000 0.251 328 V C 2.776 178.951 176.094 0.135 0.000 1.065 328 V CA 3.597 65.954 62.300 0.095 0.000 1.049 328 V CB -1.624 30.245 31.823 0.077 0.000 0.651 328 V HN 2.814 nan 8.190 nan 0.000 0.450 329 G N -0.629 108.112 108.800 -0.098 0.000 2.525 329 G HA2 -0.259 3.717 3.960 0.025 0.000 0.248 329 G HA3 -0.259 3.717 3.960 0.025 0.000 0.248 329 G C -0.301 174.489 174.900 -0.183 0.000 1.238 329 G CA 0.186 45.041 45.100 -0.407 0.000 0.926 329 G HN 0.304 nan 8.290 nan 0.000 0.574 330 F N 1.470 121.466 119.950 0.077 0.000 2.841 330 F HA 0.392 4.934 4.527 0.026 0.000 0.358 330 F C 2.062 177.893 175.800 0.052 0.000 1.261 330 F CA 0.062 58.142 58.000 0.134 0.000 1.233 330 F CB 0.105 39.231 39.000 0.210 0.000 1.008 330 F HN 0.412 nan 8.300 nan 0.000 0.507 331 T N -0.676 113.938 114.554 0.101 0.000 2.652 331 T HA -0.242 4.123 4.350 0.025 0.000 0.267 331 T C 1.897 176.573 174.700 -0.039 0.000 1.039 331 T CA 1.852 63.955 62.100 0.004 0.000 1.153 331 T CB -0.058 68.796 68.868 -0.023 0.000 0.863 331 T HN 0.372 nan 8.240 nan 0.000 0.428 332 Q N -0.708 119.046 119.800 -0.076 0.000 2.311 332 Q HA 0.014 4.369 4.340 0.025 0.000 0.203 332 Q C 1.957 177.848 176.000 -0.182 0.000 0.954 332 Q CA 0.675 56.353 55.803 -0.208 0.000 0.885 332 Q CB -0.178 28.456 28.738 -0.174 0.000 0.963 332 Q HN 0.546 nan 8.270 nan 0.000 0.471 333 Y N 0.486 120.737 120.300 -0.080 0.000 2.207 333 Y HA -0.252 4.313 4.550 0.025 0.000 0.287 333 Y C 2.317 178.171 175.900 -0.077 0.000 1.156 333 Y CA 1.200 59.246 58.100 -0.091 0.000 1.182 333 Y CB -0.526 37.880 38.460 -0.090 0.000 0.979 333 Y HN 0.160 nan 8.280 nan 0.000 0.521 334 A N -0.615 122.270 122.820 0.108 0.000 1.903 334 A HA -0.108 4.227 4.320 0.025 0.000 0.213 334 A C 2.321 179.777 177.584 -0.212 0.000 1.185 334 A CA 1.736 53.815 52.037 0.069 0.000 0.628 334 A CB -1.254 17.863 19.000 0.195 0.000 0.830 334 A HN 0.463 nan 8.150 nan 0.000 0.446 335 T N -1.663 112.591 114.554 -0.500 0.000 2.849 335 T HA -0.013 4.352 4.350 0.025 0.000 0.270 335 T C 1.839 176.133 174.700 -0.677 0.000 1.066 335 T CA 1.539 62.996 62.100 -1.071 0.000 1.130 335 T CB -0.591 67.726 68.868 -0.918 0.000 0.864 335 T HN 0.579 nan 8.240 nan 0.000 0.481 336 A N 1.764 124.368 122.820 -0.361 0.000 1.986 336 A HA 0.230 4.565 4.320 0.025 0.000 0.220 336 A C 2.650 180.153 177.584 -0.135 0.000 1.171 336 A CA 1.787 53.705 52.037 -0.198 0.000 0.640 336 A CB -1.171 17.758 19.000 -0.118 0.000 0.811 336 A HN 0.837 nan 8.150 nan 0.000 0.451 337 A N -1.785 120.972 122.820 -0.105 0.000 2.218 337 A HA 0.326 4.661 4.320 0.025 0.000 0.209 337 A C 1.216 178.872 177.584 0.120 0.000 1.168 337 A CA 1.000 53.055 52.037 0.030 0.000 0.804 337 A CB -0.307 18.758 19.000 0.109 0.000 0.834 337 A HN 1.143 nan 8.150 nan 0.000 0.482 338 Y N -1.864 118.458 120.300 0.036 0.000 2.830 338 Y HA 0.402 4.967 4.550 0.025 0.000 0.255 338 Y C 0.094 176.021 175.900 0.045 0.000 1.130 338 Y CA -0.413 57.724 58.100 0.062 0.000 1.217 338 Y CB -0.669 37.872 38.460 0.134 0.000 1.296 338 Y HN 0.081 nan 8.280 nan 0.000 0.571 339 T N -3.400 111.119 114.554 -0.058 0.000 2.916 339 T HA 0.478 4.843 4.350 0.025 0.000 0.292 339 T C -0.231 174.484 174.700 0.025 0.000 1.055 339 T CA -0.108 61.984 62.100 -0.012 0.000 1.009 339 T CB 1.851 70.668 68.868 -0.084 0.000 1.118 339 T HN 0.099 nan 8.240 nan 0.000 0.497 340 D N 0.638 121.067 120.400 0.049 0.000 3.059 340 D HA -0.187 4.468 4.640 0.025 0.000 0.213 340 D C 0.341 176.696 176.300 0.092 0.000 1.144 340 D CA 1.429 55.472 54.000 0.071 0.000 0.975 340 D CB -1.431 39.430 40.800 0.102 0.000 1.125 340 D HN 0.832 nan 8.370 nan 0.000 0.412 341 N N -1.416 117.326 118.700 0.071 0.000 2.741 341 N HA -0.240 4.515 4.740 0.025 0.000 0.251 341 N C 1.108 176.680 175.510 0.103 0.000 1.112 341 N CA 1.251 54.358 53.050 0.095 0.000 0.750 341 N CB -1.499 37.046 38.487 0.098 0.000 1.119 341 N HN 0.481 nan 8.380 nan 0.000 0.561 342 I N -0.168 120.401 120.570 -0.001 0.000 2.206 342 I HA -0.174 4.012 4.170 0.025 0.000 0.239 342 I C 2.378 178.228 176.117 -0.446 0.000 1.078 342 I CA 0.651 61.823 61.300 -0.213 0.000 1.367 342 I CB -0.143 37.642 38.000 -0.358 0.000 1.078 342 I HN 0.100 nan 8.210 nan 0.000 0.413 343 L N 1.351 122.415 121.223 -0.265 0.000 2.079 343 L HA -0.245 4.110 4.340 0.025 0.000 0.210 343 L C 1.706 178.583 176.870 0.013 0.000 1.081 343 L CA 2.073 56.825 54.840 -0.146 0.000 0.752 343 L CB -0.885 41.164 42.059 -0.016 0.000 0.896 343 L HN 0.215 nan 8.230 nan 0.000 0.433 344 D N -0.597 119.843 120.400 0.068 0.000 2.104 344 D HA -0.246 4.409 4.640 0.025 0.000 0.194 344 D C 1.954 178.457 176.300 0.338 0.000 0.994 344 D CA 1.626 55.742 54.000 0.192 0.000 0.830 344 D CB -0.391 40.560 40.800 0.252 0.000 0.959 344 D HN 0.515 nan 8.370 nan 0.000 0.452 345 D N -0.193 120.385 120.400 0.296 0.000 2.104 345 D HA -0.168 4.487 4.640 0.025 0.000 0.194 345 D C 1.992 178.659 176.300 0.612 0.000 0.994 345 D CA 0.894 55.151 54.000 0.429 0.000 0.830 345 D CB -0.178 40.889 40.800 0.445 0.000 0.959 345 D HN 0.297 nan 8.370 nan 0.000 0.452 346 F N 0.577 120.753 119.950 0.377 0.000 2.186 346 F HA -0.128 4.416 4.527 0.028 0.000 0.299 346 F C 2.732 178.701 175.800 0.282 0.000 1.090 346 F CA 0.822 59.046 58.000 0.373 0.000 1.307 346 F CB -0.202 38.965 39.000 0.278 0.000 1.019 346 F HN -0.013 nan 8.300 nan 0.000 0.489 347 T N -1.034 113.751 114.554 0.386 0.000 2.896 347 T HA -0.149 4.216 4.350 0.025 0.000 0.263 347 T C 1.480 176.297 174.700 0.194 0.000 1.050 347 T CA 0.935 63.175 62.100 0.233 0.000 1.140 347 T CB -0.542 68.393 68.868 0.112 0.000 0.877 347 T HN 0.220 nan 8.240 nan 0.000 0.457 348 Y N 0.442 120.882 120.300 0.233 0.000 2.181 348 Y HA -0.105 4.459 4.550 0.024 0.000 0.288 348 Y C 2.153 178.120 175.900 0.112 0.000 1.146 348 Y CA 1.109 59.299 58.100 0.151 0.000 1.164 348 Y CB -0.463 38.066 38.460 0.115 0.000 0.982 348 Y HN 0.183 nan 8.280 nan 0.000 0.515 349 F N 0.485 120.515 119.950 0.134 0.000 2.065 349 F HA -0.216 4.324 4.527 0.021 0.000 0.298 349 F C 2.300 178.092 175.800 -0.013 0.000 1.112 349 F CA 1.918 59.850 58.000 -0.114 0.000 1.212 349 F CB -0.844 37.735 39.000 -0.702 0.000 0.975 349 F HN -0.031 nan 8.300 nan 0.000 0.476 350 G N 0.437 109.255 108.800 0.029 0.000 2.418 350 G HA2 -0.279 3.696 3.960 0.025 0.000 0.217 350 G HA3 -0.279 3.696 3.960 0.025 0.000 0.217 350 G C 1.786 176.748 174.900 0.104 0.000 1.158 350 G CA 0.808 45.924 45.100 0.027 0.000 0.771 350 G HN 0.313 nan 8.290 nan 0.000 0.545 351 K N 0.962 121.476 120.400 0.189 0.000 2.063 351 K HA -0.120 4.215 4.320 0.025 0.000 0.208 351 K C 2.304 178.924 176.600 0.033 0.000 1.048 351 K CA 1.760 58.140 56.287 0.154 0.000 0.928 351 K CB -0.334 32.180 32.500 0.023 0.000 0.713 351 K HN 0.440 nan 8.250 nan 0.000 0.442 352 E N -0.799 119.390 120.200 -0.018 0.000 2.077 352 E HA -0.204 4.161 4.350 0.025 0.000 0.193 352 E C 1.971 178.503 176.600 -0.113 0.000 0.989 352 E CA 1.279 57.638 56.400 -0.068 0.000 0.800 352 E CB -0.313 29.342 29.700 -0.075 0.000 0.746 352 E HN 0.343 nan 8.360 nan 0.000 0.452 353 Y N 1.235 121.325 120.300 -0.350 0.000 2.128 353 Y HA -0.286 4.272 4.550 0.014 0.000 0.284 353 Y C 2.118 177.959 175.900 -0.099 0.000 1.154 353 Y CA 1.378 59.295 58.100 -0.306 0.000 1.149 353 Y CB -0.346 37.835 38.460 -0.466 0.000 0.976 353 Y HN -0.171 nan 8.280 nan 0.000 0.505 354 V N 0.759 120.685 119.914 0.021 0.000 2.295 354 V HA -0.313 3.823 4.120 0.025 0.000 0.246 354 V C 2.371 178.473 176.094 0.013 0.000 1.049 354 V CA 2.270 64.618 62.300 0.081 0.000 1.024 354 V CB -0.817 31.136 31.823 0.216 0.000 0.648 354 V HN 0.529 nan 8.190 nan 0.000 0.447 355 E N 0.039 120.228 120.200 -0.018 0.000 2.118 355 E HA -0.292 4.073 4.350 0.025 0.000 0.195 355 E C 1.717 178.273 176.600 -0.074 0.000 0.992 355 E CA 1.815 58.194 56.400 -0.035 0.000 0.804 355 E CB -0.082 29.594 29.700 -0.041 0.000 0.741 355 E HN 0.604 nan 8.360 nan 0.000 0.458 356 D N -0.180 120.141 120.400 -0.132 0.000 2.194 356 D HA -0.074 4.581 4.640 0.025 0.000 0.204 356 D C 1.739 177.902 176.300 -0.228 0.000 0.964 356 D CA 0.861 54.767 54.000 -0.157 0.000 0.846 356 D CB -0.019 40.689 40.800 -0.154 0.000 0.962 356 D HN 0.155 nan 8.370 nan 0.000 0.490 357 K N -0.990 119.190 120.400 -0.365 0.000 2.099 357 K HA -0.032 4.303 4.320 0.025 0.000 0.203 357 K C 1.377 177.676 176.600 -0.501 0.000 1.047 357 K CA 0.805 56.766 56.287 -0.545 0.000 0.963 357 K CB 0.161 32.107 32.500 -0.922 0.000 0.759 357 K HN 0.122 nan 8.250 nan 0.000 0.451 358 Y N -0.701 119.512 120.300 -0.145 0.000 2.607 358 Y HA 0.295 4.865 4.550 0.032 0.000 0.276 358 Y C 0.580 176.444 175.900 -0.061 0.000 1.117 358 Y CA 0.180 58.231 58.100 -0.083 0.000 1.273 358 Y CB 1.337 39.761 38.460 -0.059 0.000 1.282 358 Y HN 0.248 nan 8.280 nan 0.000 0.514 359 G N 1.313 110.171 108.800 0.097 0.000 2.785 359 G HA2 -0.193 3.782 3.960 0.025 0.000 0.686 359 G HA3 -0.193 3.782 3.960 0.025 0.000 0.686 359 G C -0.784 174.154 174.900 0.064 0.000 1.155 359 G CA -0.889 44.243 45.100 0.053 0.000 0.760 359 G HN 0.166 nan 8.290 nan 0.000 0.624 360 L N 1.190 122.428 121.223 0.024 0.000 2.525 360 L HA 0.208 4.563 4.340 0.025 0.000 0.278 360 L C 1.912 178.790 176.870 0.015 0.000 1.218 360 L CA 0.452 55.303 54.840 0.018 0.000 0.878 360 L CB 0.337 42.377 42.059 -0.031 0.000 1.127 360 L HN 1.321 nan 8.230 nan 0.000 0.492 361 C N 1.097 120.405 119.300 0.014 0.000 4.400 361 C HA -0.124 4.351 4.460 0.025 0.000 0.275 361 C C 1.485 176.464 174.990 -0.018 0.000 1.391 361 C CA 0.502 59.515 59.018 -0.009 0.000 1.816 361 C CB -2.074 25.660 27.740 -0.009 0.000 1.404 361 C HN 0.907 nan 8.230 nan 0.000 0.754 362 E N -0.249 119.945 120.200 -0.008 0.000 2.526 362 E HA 0.387 4.752 4.350 0.025 0.000 0.208 362 E C 0.977 177.568 176.600 -0.014 0.000 0.997 362 E CA 0.774 57.179 56.400 0.009 0.000 0.961 362 E CB 0.450 30.180 29.700 0.050 0.000 1.030 362 E HN 0.807 nan 8.360 nan 0.000 0.483 363 A N 2.785 125.508 122.820 -0.162 0.000 2.351 363 A HA 0.417 4.752 4.320 0.025 0.000 0.257 363 A C -2.293 175.171 177.584 -0.200 0.000 1.087 363 A CA -1.150 50.660 52.037 -0.379 0.000 0.798 363 A CB -0.186 18.222 19.000 -0.987 0.000 1.033 363 A HN -0.164 nan 8.150 nan 0.000 0.488 364 P HA 0.018 nan 4.420 nan 0.000 0.265 364 P C -0.445 176.799 177.300 -0.094 0.000 1.193 364 P CA 0.174 63.229 63.100 -0.074 0.000 0.765 364 P CB 0.230 31.913 31.700 -0.028 0.000 0.823 365 N N 3.345 122.007 118.700 -0.064 0.000 2.895 365 N HA 0.060 4.815 4.740 0.025 0.000 0.277 365 N C -0.646 174.836 175.510 -0.047 0.000 1.185 365 N CA -0.179 52.841 53.050 -0.051 0.000 1.106 365 N CB -1.003 37.464 38.487 -0.034 0.000 1.422 365 N HN 0.384 nan 8.380 nan 0.000 0.521 366 N N 0.850 119.523 118.700 -0.045 0.000 3.039 366 N HA 0.151 4.906 4.740 0.025 0.000 0.257 366 N C 0.248 175.748 175.510 -0.017 0.000 1.497 366 N CA -0.736 52.284 53.050 -0.051 0.000 0.861 366 N CB 0.211 38.669 38.487 -0.049 0.000 1.479 366 N HN -0.037 nan 8.380 nan 0.000 0.547 367 M N 0.250 119.837 119.600 -0.021 0.000 2.213 367 M HA 0.044 4.539 4.480 0.025 0.000 0.263 367 M C 0.344 176.670 176.300 0.042 0.000 1.062 367 M CA 1.644 56.960 55.300 0.027 0.000 1.105 367 M CB -0.806 31.804 32.600 0.017 0.000 1.385 367 M HN 0.576 nan 8.290 nan 0.000 0.417 368 D N -0.789 119.631 120.400 0.033 0.000 2.123 368 D HA -0.146 4.509 4.640 0.025 0.000 0.196 368 D C 1.833 178.179 176.300 0.076 0.000 0.992 368 D CA 1.969 56.004 54.000 0.058 0.000 0.833 368 D CB -0.492 40.343 40.800 0.059 0.000 0.954 368 D HN 0.371 nan 8.370 nan 0.000 0.455 369 T N 0.580 115.158 114.554 0.040 0.000 2.777 369 T HA -0.082 4.283 4.350 0.025 0.000 0.266 369 T C 2.281 177.008 174.700 0.044 0.000 1.040 369 T CA 0.662 62.769 62.100 0.012 0.000 1.141 369 T CB -0.301 68.484 68.868 -0.138 0.000 0.868 369 T HN -0.034 nan 8.240 nan 0.000 0.444 370 V N 1.656 121.597 119.914 0.046 0.000 2.255 370 V HA -0.175 3.960 4.120 0.025 0.000 0.247 370 V C 2.504 178.636 176.094 0.063 0.000 1.051 370 V CA 1.673 64.011 62.300 0.062 0.000 1.018 370 V CB -0.731 31.152 31.823 0.099 0.000 0.641 370 V HN 0.425 nan 8.190 nan 0.000 0.445 371 L N 0.063 121.328 121.223 0.071 0.000 2.046 371 L HA -0.196 4.159 4.340 0.025 0.000 0.208 371 L C 2.416 179.322 176.870 0.061 0.000 1.077 371 L CA 1.979 56.855 54.840 0.061 0.000 0.747 371 L CB -0.660 41.441 42.059 0.070 0.000 0.896 371 L HN 0.451 nan 8.230 nan 0.000 0.432 372 D N -0.114 120.354 120.400 0.112 0.000 2.075 372 D HA -0.149 4.506 4.640 0.025 0.000 0.196 372 D C 2.073 178.466 176.300 0.155 0.000 0.985 372 D CA 1.603 55.704 54.000 0.170 0.000 0.834 372 D CB -0.055 40.914 40.800 0.281 0.000 0.987 372 D HN 0.011 nan 8.370 nan 0.000 0.452 373 V N 0.889 120.918 119.914 0.191 0.000 2.379 373 V HA -0.076 4.059 4.120 0.025 0.000 0.245 373 V C 2.641 178.750 176.094 0.025 0.000 1.044 373 V CA 1.735 64.149 62.300 0.190 0.000 1.036 373 V CB -0.951 31.002 31.823 0.217 0.000 0.664 373 V HN 0.362 nan 8.190 nan 0.000 0.453 374 A N -0.189 122.629 122.820 -0.004 0.000 1.930 374 A HA -0.188 4.147 4.320 0.025 0.000 0.217 374 A C 2.384 179.869 177.584 -0.166 0.000 1.175 374 A CA 2.351 54.349 52.037 -0.064 0.000 0.627 374 A CB -0.856 18.116 19.000 -0.048 0.000 0.815 374 A HN 0.502 nan 8.150 nan 0.000 0.443 375 T N -0.448 113.983 114.554 -0.205 0.000 2.737 375 T HA -0.125 4.241 4.350 0.025 0.000 0.265 375 T C 1.916 176.303 174.700 -0.522 0.000 1.038 375 T CA 1.681 63.511 62.100 -0.451 0.000 1.144 375 T CB -0.224 68.442 68.868 -0.337 0.000 0.866 375 T HN 0.629 nan 8.240 nan 0.000 0.434 376 E N 0.910 120.957 120.200 -0.255 0.000 2.058 376 E HA -0.110 4.255 4.350 0.025 0.000 0.194 376 E C 2.091 178.646 176.600 -0.075 0.000 0.997 376 E CA 1.093 57.380 56.400 -0.188 0.000 0.801 376 E CB -0.544 28.874 29.700 -0.470 0.000 0.746 376 E HN 0.266 nan 8.360 nan 0.000 0.450 377 V N 0.129 120.008 119.914 -0.059 0.000 2.358 377 V HA -0.225 3.910 4.120 0.025 0.000 0.246 377 V C 2.308 178.382 176.094 -0.034 0.000 1.047 377 V CA 2.070 64.419 62.300 0.082 0.000 1.035 377 V CB -0.829 31.056 31.823 0.104 0.000 0.658 377 V HN 0.351 nan 8.190 nan 0.000 0.452 378 T N 0.231 114.692 114.554 -0.155 0.000 2.684 378 T HA -0.191 4.174 4.350 0.025 0.000 0.267 378 T C 1.691 176.317 174.700 -0.123 0.000 1.036 378 T CA 1.878 63.859 62.100 -0.198 0.000 1.148 378 T CB -0.450 68.241 68.868 -0.295 0.000 0.863 378 T HN 0.445 nan 8.240 nan 0.000 0.436 379 F N -0.355 119.514 119.950 -0.135 0.000 2.171 379 F HA -0.077 4.460 4.527 0.017 0.000 0.300 379 F C 2.345 178.007 175.800 -0.230 0.000 1.090 379 F CA 0.720 58.622 58.000 -0.163 0.000 1.293 379 F CB -0.359 38.579 39.000 -0.104 0.000 1.013 379 F HN 0.151 nan 8.300 nan 0.000 0.486 380 Y N 1.104 121.280 120.300 -0.207 0.000 2.114 380 Y HA -0.156 4.408 4.550 0.024 0.000 0.284 380 Y C 2.414 177.963 175.900 -0.584 0.000 1.143 380 Y CA 1.577 59.378 58.100 -0.498 0.000 1.135 380 Y CB -0.955 36.894 38.460 -1.019 0.000 0.980 380 Y HN -0.037 nan 8.280 nan 0.000 0.499 381 G N 0.332 108.738 108.800 -0.657 0.000 2.418 381 G HA2 -0.223 3.752 3.960 0.025 0.000 0.217 381 G HA3 -0.223 3.752 3.960 0.025 0.000 0.217 381 G C 1.659 176.101 174.900 -0.762 0.000 1.158 381 G CA 1.165 45.456 45.100 -1.348 0.000 0.771 381 G HN 0.458 nan 8.290 nan 0.000 0.545 382 L N 0.152 121.166 121.223 -0.349 0.000 2.083 382 L HA -0.047 4.308 4.340 0.025 0.000 0.209 382 L C 2.847 179.666 176.870 -0.085 0.000 1.083 382 L CA 1.050 55.824 54.840 -0.110 0.000 0.752 382 L CB -0.406 41.514 42.059 -0.232 0.000 0.899 382 L HN 0.274 nan 8.230 nan 0.000 0.433 383 E N -0.241 119.825 120.200 -0.224 0.000 2.153 383 E HA -0.230 4.135 4.350 0.025 0.000 0.194 383 E C 2.235 178.707 176.600 -0.212 0.000 0.988 383 E CA 0.879 57.155 56.400 -0.205 0.000 0.811 383 E CB -0.001 29.544 29.700 -0.257 0.000 0.746 383 E HN 0.505 nan 8.360 nan 0.000 0.466 384 Q N -0.203 119.383 119.800 -0.357 0.000 2.079 384 Q HA -0.142 4.213 4.340 0.025 0.000 0.200 384 Q C 1.927 177.889 176.000 -0.063 0.000 0.974 384 Q CA 1.321 57.025 55.803 -0.165 0.000 0.840 384 Q CB -0.653 27.962 28.738 -0.205 0.000 0.898 384 Q HN 0.546 nan 8.270 nan 0.000 0.430 385 Y N 1.301 121.606 120.300 0.008 0.000 2.274 385 Y HA -0.167 4.398 4.550 0.025 0.000 0.290 385 Y C 2.214 178.118 175.900 0.008 0.000 1.145 385 Y CA 1.006 59.123 58.100 0.028 0.000 1.203 385 Y CB 0.058 38.538 38.460 0.034 0.000 0.984 385 Y HN 0.250 nan 8.280 nan 0.000 0.533 386 E N -0.209 120.062 120.200 0.118 0.000 2.112 386 E HA -0.133 4.232 4.350 0.025 0.000 0.190 386 E C 1.866 178.438 176.600 -0.047 0.000 0.979 386 E CA 0.821 57.239 56.400 0.029 0.000 0.814 386 E CB 0.026 29.738 29.700 0.021 0.000 0.762 386 E HN 0.456 nan 8.360 nan 0.000 0.460 387 E N -0.090 120.044 120.200 -0.111 0.000 2.299 387 E HA -0.038 4.327 4.350 0.025 0.000 0.193 387 E C -0.188 176.140 176.600 -0.453 0.000 0.998 387 E CA 0.635 56.849 56.400 -0.310 0.000 0.851 387 E CB 0.326 29.763 29.700 -0.438 0.000 0.795 387 E HN 0.279 nan 8.360 nan 0.000 0.492 388 Y N 0.107 120.424 120.300 0.029 0.000 2.686 388 Y HA 0.248 4.812 4.550 0.024 0.000 0.331 388 Y C -1.802 174.125 175.900 0.046 0.000 0.996 388 Y CA -2.539 55.595 58.100 0.057 0.000 1.293 388 Y CB 1.547 40.068 38.460 0.101 0.000 1.092 388 Y HN -0.067 nan 8.280 nan 0.000 0.524 389 P HA -0.223 nan 4.420 nan 0.000 0.219 389 P C 1.375 178.720 177.300 0.074 0.000 1.146 389 P CA 1.898 65.038 63.100 0.067 0.000 0.808 389 P CB 0.426 32.127 31.700 0.001 0.000 0.779 390 A N -0.875 122.012 122.820 0.111 0.000 1.969 390 A HA -0.155 4.180 4.320 0.025 0.000 0.218 390 A C 2.086 179.828 177.584 0.263 0.000 1.169 390 A CA 1.193 53.312 52.037 0.137 0.000 0.635 390 A CB -1.537 17.628 19.000 0.275 0.000 0.810 390 A HN 0.156 nan 8.150 nan 0.000 0.445 391 L N -0.850 120.497 121.223 0.207 0.000 2.056 391 L HA -0.087 4.268 4.340 0.025 0.000 0.207 391 L C 2.230 179.264 176.870 0.274 0.000 1.078 391 L CA 1.822 56.736 54.840 0.124 0.000 0.749 391 L CB -0.494 41.486 42.059 -0.131 0.000 0.901 391 L HN 0.351 nan 8.230 nan 0.000 0.433 392 L N -0.272 121.125 121.223 0.289 0.000 2.083 392 L HA -0.201 4.154 4.340 0.025 0.000 0.209 392 L C 2.459 179.429 176.870 0.167 0.000 1.083 392 L CA 2.069 57.042 54.840 0.221 0.000 0.752 392 L CB -0.709 41.436 42.059 0.143 0.000 0.899 392 L HN 0.541 nan 8.230 nan 0.000 0.433 393 E N -1.245 119.058 120.200 0.171 0.000 2.208 393 E HA -0.235 4.131 4.350 0.025 0.000 0.193 393 E C 1.727 178.535 176.600 0.346 0.000 0.988 393 E CA 0.931 57.450 56.400 0.198 0.000 0.828 393 E CB -0.036 29.701 29.700 0.062 0.000 0.763 393 E HN 0.603 nan 8.360 nan 0.000 0.478 394 D N 0.711 121.324 120.400 0.356 0.000 2.075 394 D HA -0.143 4.512 4.640 0.025 0.000 0.196 394 D C 0.505 176.982 176.300 0.296 0.000 0.985 394 D CA 1.122 55.331 54.000 0.350 0.000 0.834 394 D CB 0.052 41.010 40.800 0.263 0.000 0.987 394 D HN 0.134 nan 8.370 nan 0.000 0.452 395 Q N 0.420 120.327 119.800 0.179 0.000 3.006 395 Q HA 0.139 4.495 4.340 0.025 0.000 0.260 395 Q C 0.312 176.254 176.000 -0.097 0.000 1.356 395 Q CA -0.413 55.382 55.803 -0.013 0.000 1.070 395 Q CB -0.090 28.681 28.738 0.055 0.000 1.507 395 Q HN 0.465 nan 8.270 nan 0.000 0.568 396 F N -1.376 118.586 119.950 0.020 0.000 2.407 396 F HA 0.193 4.736 4.527 0.026 0.000 0.299 396 F C 1.019 176.794 175.800 -0.042 0.000 1.097 396 F CA -0.422 57.572 58.000 -0.009 0.000 1.422 396 F CB -0.123 38.887 39.000 0.017 0.000 1.067 396 F HN 0.086 nan 8.300 nan 0.000 0.539 397 G N 0.296 108.877 108.800 -0.365 0.000 2.338 397 G HA2 0.416 4.391 3.960 0.025 0.000 0.298 397 G HA3 0.416 4.391 3.960 0.025 0.000 0.298 397 G C 0.968 175.785 174.900 -0.139 0.000 1.140 397 G CA -0.263 44.742 45.100 -0.158 0.000 0.860 397 G HN 0.356 nan 8.290 nan 0.000 0.470 398 G N 1.600 110.351 108.800 -0.082 0.000 2.450 398 G HA2 -0.120 3.856 3.960 0.025 0.000 0.220 398 G HA3 -0.120 3.856 3.960 0.025 0.000 0.220 398 G C 1.293 176.031 174.900 -0.269 0.000 1.130 398 G CA 1.113 46.125 45.100 -0.147 0.000 0.760 398 G HN 0.666 nan 8.290 nan 0.000 0.557 402 A N 1.760 124.527 122.820 -0.088 0.000 1.883 402 A HA -0.015 4.320 4.320 0.025 0.000 0.217 402 A C 2.236 179.681 177.584 -0.232 0.000 1.186 402 A CA 2.184 54.087 52.037 -0.224 0.000 0.624 402 A CB -0.582 18.025 19.000 -0.654 0.000 0.822 402 A HN 0.385 nan 8.150 nan 0.000 0.444 403 A N -0.725 121.997 122.820 -0.164 0.000 1.902 403 A HA 0.007 4.342 4.320 0.025 0.000 0.217 403 A C 2.259 179.851 177.584 0.012 0.000 1.181 403 A CA 1.831 53.832 52.037 -0.060 0.000 0.623 403 A CB -0.938 18.108 19.000 0.077 0.000 0.818 403 A HN 0.388 nan 8.150 nan 0.000 0.443 404 V N -0.459 119.497 119.914 0.070 0.000 2.307 404 V HA -0.209 3.926 4.120 0.025 0.000 0.245 404 V C 2.591 178.830 176.094 0.241 0.000 1.045 404 V CA 1.959 64.349 62.300 0.150 0.000 1.024 404 V CB -0.677 31.237 31.823 0.152 0.000 0.651 404 V HN 0.368 nan 8.190 nan 0.000 0.449 405 V N 0.291 120.356 119.914 0.252 0.000 2.343 405 V HA -0.231 3.904 4.120 0.025 0.000 0.247 405 V C 2.665 178.769 176.094 0.016 0.000 1.051 405 V CA 2.049 64.470 62.300 0.201 0.000 1.036 405 V CB -1.069 30.818 31.823 0.107 0.000 0.654 405 V HN 0.555 nan 8.190 nan 0.000 0.451 406 A N -0.179 122.519 122.820 -0.203 0.000 1.969 406 A HA -0.006 4.329 4.320 0.025 0.000 0.218 406 A C 2.411 179.971 177.584 -0.040 0.000 1.169 406 A CA 1.744 53.521 52.037 -0.434 0.000 0.635 406 A CB -0.662 17.520 19.000 -1.363 0.000 0.810 406 A HN 0.546 nan 8.150 nan 0.000 0.445 407 A N 0.099 123.019 122.820 0.167 0.000 1.908 407 A HA 0.121 4.456 4.320 0.025 0.000 0.218 407 A C 2.500 180.170 177.584 0.143 0.000 1.181 407 A CA 2.143 54.369 52.037 0.315 0.000 0.627 407 A CB -1.007 18.144 19.000 0.251 0.000 0.818 407 A HN 1.022 nan 8.150 nan 0.000 0.445 408 A N -0.210 122.700 122.820 0.149 0.000 1.902 408 A HA 0.169 4.504 4.320 0.025 0.000 0.217 408 A C 2.521 180.145 177.584 0.067 0.000 1.181 408 A CA 2.127 54.251 52.037 0.144 0.000 0.623 408 A CB -1.043 18.138 19.000 0.301 0.000 0.818 408 A HN 1.063 nan 8.150 nan 0.000 0.443 409 A N -0.553 122.295 122.820 0.047 0.000 1.877 409 A HA 0.121 4.456 4.320 0.025 0.000 0.216 409 A C 2.402 179.974 177.584 -0.019 0.000 1.186 409 A CA 1.999 54.034 52.037 -0.002 0.000 0.620 409 A CB -1.335 17.631 19.000 -0.056 0.000 0.822 409 A HN 0.707 nan 8.150 nan 0.000 0.443 410 G N -1.174 107.637 108.800 0.018 0.000 2.394 410 G HA2 -0.185 3.790 3.960 0.025 0.000 0.215 410 G HA3 -0.185 3.790 3.960 0.025 0.000 0.215 410 G C 1.574 176.389 174.900 -0.143 0.000 1.165 410 G CA 1.198 46.299 45.100 0.001 0.000 0.784 410 G HN 0.514 nan 8.290 nan 0.000 0.535 411 C N 0.873 120.045 119.300 -0.214 0.000 2.429 411 C HA -0.016 4.459 4.460 0.025 0.000 0.277 411 C C 3.393 177.844 174.990 -0.899 0.000 1.262 411 C CA 1.348 60.038 59.018 -0.548 0.000 1.733 411 C CB -0.809 26.614 27.740 -0.528 0.000 2.010 411 C HN 0.400 nan 8.230 nan 0.000 0.483 412 S N 0.298 115.719 115.700 -0.466 0.000 2.383 412 S HA -0.151 4.334 4.470 0.025 0.000 0.227 412 S C 1.880 176.430 174.600 -0.083 0.000 1.026 412 S CA 1.869 59.944 58.200 -0.208 0.000 0.981 412 S CB -0.513 62.714 63.200 0.045 0.000 0.818 412 S HN 0.713 nan 8.310 nan 0.000 0.472 413 T N 2.407 116.905 114.554 -0.093 0.000 2.746 413 T HA -0.035 4.330 4.350 0.025 0.000 0.267 413 T C 2.146 176.801 174.700 -0.074 0.000 1.039 413 T CA 1.243 63.316 62.100 -0.045 0.000 1.142 413 T CB -0.463 68.388 68.868 -0.029 0.000 0.866 413 T HN 0.466 nan 8.240 nan 0.000 0.444 414 A N 0.744 123.477 122.820 -0.145 0.000 1.969 414 A HA 0.039 4.374 4.320 0.025 0.000 0.218 414 A C 2.025 179.600 177.584 -0.015 0.000 1.169 414 A CA 1.089 53.054 52.037 -0.120 0.000 0.635 414 A CB -1.055 17.841 19.000 -0.172 0.000 0.810 414 A HN 0.592 nan 8.150 nan 0.000 0.445 415 F N 0.014 119.942 119.950 -0.036 0.000 2.161 415 F HA -0.210 4.331 4.527 0.023 0.000 0.300 415 F C 2.799 178.571 175.800 -0.048 0.000 1.089 415 F CA 0.454 58.433 58.000 -0.035 0.000 1.282 415 F CB -0.101 38.892 39.000 -0.011 0.000 1.010 415 F HN 0.331 nan 8.300 nan 0.000 0.485 416 A N 0.208 123.096 122.820 0.113 0.000 1.872 416 A HA -0.159 4.176 4.320 0.025 0.000 0.214 416 A C 2.162 179.679 177.584 -0.112 0.000 1.187 416 A CA 1.983 53.996 52.037 -0.040 0.000 0.614 416 A CB -1.149 17.760 19.000 -0.151 0.000 0.826 416 A HN 0.382 nan 8.150 nan 0.000 0.442 417 T N -4.625 109.874 114.554 -0.091 0.000 3.057 417 T HA 0.374 4.739 4.350 0.025 0.000 0.254 417 T C 1.467 176.128 174.700 -0.064 0.000 1.094 417 T CA 1.165 63.208 62.100 -0.094 0.000 1.088 417 T CB -0.070 68.753 68.868 -0.074 0.000 0.934 417 T HN 1.704 nan 8.240 nan 0.000 0.497 418 G N 1.645 110.416 108.800 -0.049 0.000 2.168 418 G HA2 -0.253 3.722 3.960 0.025 0.000 0.257 418 G HA3 -0.253 3.722 3.960 0.025 0.000 0.257 418 G C -0.100 174.728 174.900 -0.120 0.000 0.997 418 G CA 0.224 45.280 45.100 -0.074 0.000 0.708 418 G HN 0.825 nan 8.290 nan 0.000 0.520 419 N N -0.571 118.070 118.700 -0.099 0.000 2.371 419 N HA 0.574 5.329 4.740 0.025 0.000 0.291 419 N C 1.016 176.477 175.510 -0.081 0.000 1.053 419 N CA 0.284 53.282 53.050 -0.087 0.000 0.870 419 N CB 1.538 40.006 38.487 -0.032 0.000 1.503 419 N HN 0.338 nan 8.380 nan 0.000 0.485 420 A N 2.805 125.568 122.820 -0.095 0.000 2.067 420 A HA -0.125 4.210 4.320 0.025 0.000 0.219 420 A C 1.766 179.294 177.584 -0.093 0.000 1.158 420 A CA 1.297 53.278 52.037 -0.094 0.000 0.661 420 A CB -0.110 18.848 19.000 -0.070 0.000 0.801 420 A HN 0.715 nan 8.150 nan 0.000 0.452 421 Q N -0.154 119.615 119.800 -0.052 0.000 2.123 421 Q HA -0.096 4.259 4.340 0.025 0.000 0.199 421 Q C 2.201 178.181 176.000 -0.034 0.000 0.966 421 Q CA 2.249 58.005 55.803 -0.077 0.000 0.845 421 Q CB -0.480 28.273 28.738 0.026 0.000 0.907 421 Q HN 0.769 nan 8.270 nan 0.000 0.439 422 T N -3.322 111.291 114.554 0.099 0.000 2.904 422 T HA -0.012 4.353 4.350 0.025 0.000 0.267 422 T C 1.861 176.581 174.700 0.034 0.000 1.059 422 T CA 0.879 63.065 62.100 0.145 0.000 1.137 422 T CB -0.708 68.238 68.868 0.130 0.000 0.879 422 T HN 0.324 nan 8.240 nan 0.000 0.467 423 G N 1.719 110.500 108.800 -0.033 0.000 2.440 423 G HA2 -0.137 3.838 3.960 0.025 0.000 0.218 423 G HA3 -0.137 3.838 3.960 0.025 0.000 0.218 423 G C 1.426 176.285 174.900 -0.068 0.000 1.154 423 G CA 0.979 46.037 45.100 -0.069 0.000 0.767 423 G HN 0.467 nan 8.290 nan 0.000 0.552 424 L N 0.894 122.042 121.223 -0.124 0.000 2.046 424 L HA 0.046 4.401 4.340 0.025 0.000 0.208 424 L C 2.883 179.701 176.870 -0.087 0.000 1.077 424 L CA 2.377 57.101 54.840 -0.195 0.000 0.747 424 L CB -0.766 41.127 42.059 -0.277 0.000 0.896 424 L HN 0.217 nan 8.230 nan 0.000 0.432 425 S N -0.635 115.058 115.700 -0.012 0.000 2.383 425 S HA -0.154 4.331 4.470 0.025 0.000 0.229 425 S C 2.012 176.685 174.600 0.121 0.000 1.030 425 S CA 1.305 59.579 58.200 0.125 0.000 1.002 425 S CB -0.811 62.515 63.200 0.209 0.000 0.829 425 S HN 0.688 nan 8.310 nan 0.000 0.467 426 G N 0.744 109.580 108.800 0.061 0.000 2.408 426 G HA2 -0.217 3.759 3.960 0.025 0.000 0.217 426 G HA3 -0.217 3.759 3.960 0.025 0.000 0.217 426 G C 1.315 176.211 174.900 -0.007 0.000 1.150 426 G CA 0.804 45.920 45.100 0.027 0.000 0.776 426 G HN 0.665 nan 8.290 nan 0.000 0.542 427 W N 0.970 122.132 121.300 -0.229 0.000 2.335 427 W HA -0.167 4.508 4.660 0.025 0.000 0.311 427 W C 2.032 178.335 176.519 -0.361 0.000 1.213 427 W CA 1.483 58.637 57.345 -0.317 0.000 1.274 427 W CB -0.650 28.553 29.460 -0.427 0.000 1.148 427 W HN 0.404 nan 8.180 nan 0.000 0.498 428 Y N 0.420 120.765 120.300 0.075 0.000 2.242 428 Y HA -0.244 4.320 4.550 0.024 0.000 0.291 428 Y C 2.611 178.123 175.900 -0.648 0.000 1.137 428 Y CA 1.129 59.072 58.100 -0.262 0.000 1.181 428 Y CB -1.093 37.302 38.460 -0.109 0.000 0.989 428 Y HN -0.090 nan 8.280 nan 0.000 0.527 429 L N -0.483 120.650 121.223 -0.150 0.000 2.046 429 L HA -0.210 4.145 4.340 0.025 0.000 0.208 429 L C 2.564 179.337 176.870 -0.162 0.000 1.077 429 L CA 1.904 56.695 54.840 -0.082 0.000 0.747 429 L CB -1.072 41.011 42.059 0.040 0.000 0.896 429 L HN 0.161 nan 8.230 nan 0.000 0.432 430 S N -1.017 114.551 115.700 -0.220 0.000 2.365 430 S HA -0.238 4.247 4.470 0.025 0.000 0.225 430 S C 2.076 176.555 174.600 -0.200 0.000 1.039 430 S CA 1.848 59.913 58.200 -0.225 0.000 1.033 430 S CB -0.204 62.827 63.200 -0.282 0.000 0.887 430 S HN 0.474 nan 8.310 nan 0.000 0.447 431 M N 0.215 119.608 119.600 -0.344 0.000 2.080 431 M HA -0.106 4.389 4.480 0.025 0.000 0.260 431 M C 2.025 178.294 176.300 -0.052 0.000 1.068 431 M CA 1.584 56.727 55.300 -0.260 0.000 1.109 431 M CB -1.874 30.544 32.600 -0.304 0.000 1.342 431 M HN 0.532 nan 8.290 nan 0.000 0.405 432 Y N 0.165 120.479 120.300 0.023 0.000 2.181 432 Y HA -0.192 4.372 4.550 0.023 0.000 0.288 432 Y C 2.514 178.438 175.900 0.041 0.000 1.146 432 Y CA 0.448 58.570 58.100 0.037 0.000 1.164 432 Y CB -0.521 37.969 38.460 0.050 0.000 0.982 432 Y HN 0.133 nan 8.280 nan 0.000 0.515 433 L N -0.755 120.568 121.223 0.167 0.000 2.046 433 L HA -0.255 4.100 4.340 0.025 0.000 0.208 433 L C 2.485 179.441 176.870 0.144 0.000 1.077 433 L CA 1.698 56.616 54.840 0.131 0.000 0.747 433 L CB -0.756 41.312 42.059 0.016 0.000 0.896 433 L HN 0.383 nan 8.230 nan 0.000 0.432 434 H N 0.489 119.541 119.070 -0.031 0.000 2.321 434 H HA -0.242 4.330 4.556 0.025 0.000 0.300 434 H C 2.469 177.767 175.328 -0.049 0.000 1.087 434 H CA 1.863 57.859 56.048 -0.085 0.000 1.319 434 H CB 0.237 29.928 29.762 -0.119 0.000 1.379 434 H HN 0.148 nan 8.280 nan 0.000 0.501 435 K N 0.177 120.659 120.400 0.137 0.000 2.044 435 K HA -0.189 4.146 4.320 0.025 0.000 0.210 435 K C 1.992 178.653 176.600 0.102 0.000 1.049 435 K CA 1.940 58.276 56.287 0.081 0.000 0.927 435 K CB 0.106 32.653 32.500 0.079 0.000 0.713 435 K HN 0.333 nan 8.250 nan 0.000 0.443 436 E N 0.550 120.814 120.200 0.106 0.000 2.107 436 E HA -0.203 4.162 4.350 0.025 0.000 0.191 436 E C 1.995 178.640 176.600 0.075 0.000 0.982 436 E CA 1.029 57.480 56.400 0.085 0.000 0.809 436 E CB -0.146 29.606 29.700 0.087 0.000 0.756 436 E HN 0.509 nan 8.360 nan 0.000 0.459 437 Q N 0.145 119.978 119.800 0.055 0.000 2.020 437 Q HA -0.151 4.204 4.340 0.025 0.000 0.202 437 Q C 1.279 177.328 176.000 0.081 0.000 0.982 437 Q CA 1.567 57.359 55.803 -0.018 0.000 0.838 437 Q CB -0.063 28.567 28.738 -0.179 0.000 0.899 437 Q HN 0.487 nan 8.270 nan 0.000 0.423 438 H N -1.392 117.727 119.070 0.081 0.000 2.586 438 H HA 0.219 4.791 4.556 0.027 0.000 0.273 438 H C 0.183 175.536 175.328 0.041 0.000 0.997 438 H CA 0.118 56.199 56.048 0.055 0.000 1.177 438 H CB 0.832 30.638 29.762 0.074 0.000 1.471 438 H HN 0.194 nan 8.280 nan 0.000 0.538 439 S N 0.791 116.581 115.700 0.150 0.000 3.581 439 S HA -0.216 4.269 4.470 0.025 0.000 0.354 439 S C 0.019 174.656 174.600 0.061 0.000 1.059 439 S CA 1.007 59.256 58.200 0.082 0.000 1.060 439 S CB -0.992 62.242 63.200 0.057 0.000 0.908 439 S HN 0.809 nan 8.310 nan 0.000 0.475 440 R N -1.750 118.793 120.500 0.071 0.000 2.728 440 R HA 0.737 5.092 4.340 0.025 0.000 0.274 440 R C -0.652 175.622 176.300 -0.043 0.000 1.032 440 R CA -0.911 55.198 56.100 0.016 0.000 0.866 440 R CB 0.202 30.511 30.300 0.015 0.000 1.263 440 R HN 0.229 nan 8.270 nan 0.000 0.475 441 L N -0.623 120.517 121.223 -0.138 0.000 3.878 441 L HA 0.687 5.042 4.340 0.025 0.000 0.207 441 L C 0.270 176.916 176.870 -0.373 0.000 1.209 441 L CA 0.979 55.613 54.840 -0.343 0.000 1.453 441 L CB 0.613 42.523 42.059 -0.248 0.000 1.818 441 L HN 0.888 nan 8.230 nan 0.000 0.806 442 G N -1.167 107.421 108.800 -0.354 0.000 3.119 442 G HA2 0.358 4.333 3.960 0.025 0.000 0.206 442 G HA3 0.358 4.333 3.960 0.025 0.000 0.206 442 G C -0.604 174.247 174.900 -0.081 0.000 1.313 442 G CA -0.057 44.814 45.100 -0.382 0.000 1.010 442 G HN 0.453 nan 8.290 nan 0.000 0.578 443 F N -0.900 119.079 119.950 0.048 0.000 2.456 443 F HA 0.533 5.075 4.527 0.026 0.000 0.306 443 F C 0.772 176.695 175.800 0.205 0.000 1.278 443 F CA -1.404 56.680 58.000 0.140 0.000 1.264 443 F CB 0.082 39.198 39.000 0.193 0.000 1.253 443 F HN 0.528 nan 8.300 nan 0.000 0.554 447 D N 2.704 123.063 120.400 -0.069 0.000 2.706 447 D HA 0.061 4.717 4.640 0.025 0.000 0.236 447 D C 1.563 177.869 176.300 0.010 0.000 1.231 447 D CA 0.165 54.186 54.000 0.035 0.000 0.828 447 D CB 0.152 41.047 40.800 0.159 0.000 1.015 447 D HN 0.611 nan 8.370 nan 0.000 0.484 448 L N 0.880 122.067 121.223 -0.060 0.000 1.970 448 L HA -0.283 4.072 4.340 0.025 0.000 0.212 448 L C 2.616 179.488 176.870 0.003 0.000 1.071 448 L CA 1.975 56.798 54.840 -0.029 0.000 0.751 448 L CB -0.327 41.705 42.059 -0.045 0.000 0.889 448 L HN 0.082 nan 8.230 nan 0.000 0.432 449 Q N -0.975 118.821 119.800 -0.008 0.000 2.230 449 Q HA -0.206 4.149 4.340 0.025 0.000 0.202 449 Q C 1.410 177.506 176.000 0.161 0.000 0.963 449 Q CA 1.672 57.544 55.803 0.115 0.000 0.866 449 Q CB -0.622 28.249 28.738 0.222 0.000 0.931 449 Q HN 0.633 nan 8.270 nan 0.000 0.452 450 D N 1.032 121.566 120.400 0.222 0.000 2.144 450 D HA -0.117 4.538 4.640 0.025 0.000 0.200 450 D C 0.813 177.255 176.300 0.236 0.000 0.978 450 D CA 0.938 55.132 54.000 0.323 0.000 0.833 450 D CB 0.035 41.102 40.800 0.444 0.000 0.961 450 D HN 0.176 nan 8.370 nan 0.000 0.470 454 A N 1.078 123.775 122.820 -0.206 0.000 1.883 454 A HA 0.047 4.382 4.320 0.025 0.000 0.217 454 A C 2.529 180.141 177.584 0.047 0.000 1.186 454 A CA 3.023 55.109 52.037 0.082 0.000 0.624 454 A CB -0.842 18.329 19.000 0.284 0.000 0.822 454 A HN 1.001 nan 8.150 nan 0.000 0.444 455 S N -0.331 115.378 115.700 0.014 0.000 2.402 455 S HA -0.122 4.363 4.470 0.025 0.000 0.229 455 S C 1.593 176.199 174.600 0.010 0.000 1.021 455 S CA 1.388 59.606 58.200 0.030 0.000 0.974 455 S CB -0.475 62.730 63.200 0.009 0.000 0.800 455 S HN 0.618 nan 8.310 nan 0.000 0.484 456 N N 0.770 119.442 118.700 -0.047 0.000 2.412 456 N HA 0.124 4.879 4.740 0.025 0.000 0.184 456 N C 1.408 176.871 175.510 -0.078 0.000 1.101 456 N CA 0.318 53.348 53.050 -0.033 0.000 0.881 456 N CB -0.014 38.471 38.487 -0.004 0.000 0.969 456 N HN 0.231 nan 8.380 nan 0.000 0.459 457 V N -0.150 119.667 119.914 -0.162 0.000 2.295 457 V HA -0.152 3.983 4.120 0.025 0.000 0.246 457 V C 1.084 176.865 176.094 -0.521 0.000 1.049 457 V CA 1.587 63.640 62.300 -0.413 0.000 1.024 457 V CB -0.419 30.989 31.823 -0.693 0.000 0.648 457 V HN 0.199 nan 8.190 nan 0.000 0.447 458 F N -0.882 119.083 119.950 0.025 0.000 2.661 458 F HA 0.354 4.896 4.527 0.025 0.000 0.306 458 F C 1.347 177.152 175.800 0.007 0.000 1.094 458 F CA -0.047 57.961 58.000 0.012 0.000 1.254 458 F CB 0.231 39.242 39.000 0.017 0.000 1.040 458 F HN -0.041 nan 8.300 nan 0.000 0.562 459 S N 1.364 117.130 115.700 0.110 0.000 2.573 459 S HA 0.115 4.600 4.470 0.025 0.000 0.277 459 S C 0.894 175.529 174.600 0.058 0.000 1.346 459 S CA -0.245 57.999 58.200 0.072 0.000 1.034 459 S CB 0.485 63.707 63.200 0.036 0.000 0.879 459 S HN 0.325 nan 8.310 nan 0.000 0.528 460 I N 0.937 121.533 120.570 0.044 0.000 4.081 460 I HA 0.446 4.631 4.170 0.025 0.000 0.333 460 I C 0.588 176.713 176.117 0.013 0.000 1.413 460 I CA -0.340 60.978 61.300 0.030 0.000 1.110 460 I CB -0.314 37.705 38.000 0.032 0.000 1.082 460 I HN 0.350 nan 8.210 nan 0.000 0.402 461 R N 1.228 121.732 120.500 0.006 0.000 2.679 461 R HA 0.391 4.746 4.340 0.025 0.000 0.269 461 R C 1.564 177.852 176.300 -0.021 0.000 1.076 461 R CA 0.346 56.440 56.100 -0.009 0.000 1.160 461 R CB 0.358 30.648 30.300 -0.017 0.000 1.054 461 R HN 0.302 nan 8.270 nan 0.000 0.507 462 G N 1.538 110.320 108.800 -0.029 0.000 2.631 462 G HA2 -0.345 3.630 3.960 0.025 0.000 0.219 462 G HA3 -0.345 3.630 3.960 0.025 0.000 0.219 462 G C 0.738 175.604 174.900 -0.058 0.000 1.214 462 G CA 1.559 46.637 45.100 -0.037 0.000 0.785 462 G HN 0.808 nan 8.290 nan 0.000 0.596 463 D N -0.454 119.892 120.400 -0.090 0.000 2.388 463 D HA 0.167 4.822 4.640 0.025 0.000 0.221 463 D C 1.439 177.609 176.300 -0.217 0.000 1.133 463 D CA 0.164 54.070 54.000 -0.156 0.000 0.831 463 D CB 0.161 40.854 40.800 -0.179 0.000 0.962 463 D HN 0.515 nan 8.370 nan 0.000 0.502 464 E N -0.245 119.893 120.200 -0.102 0.000 2.354 464 E HA 0.217 4.582 4.350 0.025 0.000 0.203 464 E C 1.058 177.718 176.600 0.099 0.000 0.841 464 E CA 0.098 56.476 56.400 -0.037 0.000 1.046 464 E CB 0.422 30.103 29.700 -0.033 0.000 1.040 464 E HN 0.214 nan 8.360 nan 0.000 0.504 465 G N 1.693 110.519 108.800 0.043 0.000 2.339 465 G HA2 0.577 4.552 3.960 0.025 0.000 0.287 465 G HA3 0.577 4.552 3.960 0.025 0.000 0.287 465 G C -0.744 174.167 174.900 0.018 0.000 1.163 465 G CA -0.124 44.995 45.100 0.031 0.000 0.872 465 G HN -0.027 nan 8.290 nan 0.000 0.464 466 L N 2.951 124.153 121.223 -0.036 0.000 2.643 466 L HA 0.249 4.604 4.340 0.025 0.000 0.257 466 L C -2.549 174.232 176.870 -0.149 0.000 0.922 466 L CA -1.681 53.106 54.840 -0.087 0.000 0.909 466 L CB 3.319 45.314 42.059 -0.107 0.000 1.424 466 L HN 0.369 nan 8.230 nan 0.000 0.422 467 P HA -0.013 nan 4.420 nan 0.000 0.265 467 P C 0.483 177.655 177.300 -0.213 0.000 1.187 467 P CA -0.228 62.788 63.100 -0.141 0.000 0.766 467 P CB 0.666 32.301 31.700 -0.108 0.000 0.820 468 L N 3.706 124.809 121.223 -0.200 0.000 2.079 468 L HA -0.225 4.130 4.340 0.025 0.000 0.210 468 L C 1.780 178.558 176.870 -0.154 0.000 1.081 468 L CA 2.061 56.780 54.840 -0.202 0.000 0.752 468 L CB -1.129 40.808 42.059 -0.203 0.000 0.896 468 L HN 0.294 nan 8.230 nan 0.000 0.433 469 E N -0.628 119.456 120.200 -0.192 0.000 2.171 469 E HA -0.231 4.134 4.350 0.025 0.000 0.197 469 E C 1.964 178.186 176.600 -0.629 0.000 0.997 469 E CA 1.529 57.750 56.400 -0.298 0.000 0.810 469 E CB -0.352 29.153 29.700 -0.326 0.000 0.738 469 E HN 0.379 nan 8.360 nan 0.000 0.467 470 L N 0.236 121.073 121.223 -0.645 0.000 2.341 470 L HA 0.046 4.402 4.340 0.025 0.000 0.214 470 L C 0.845 177.474 176.870 -0.403 0.000 1.115 470 L CA 0.786 55.255 54.840 -0.619 0.000 0.820 470 L CB -0.175 41.653 42.059 -0.386 0.000 0.944 470 L HN -0.063 nan 8.230 nan 0.000 0.452 471 R N -0.714 119.566 120.500 -0.366 0.000 2.801 471 R HA 0.486 4.841 4.340 0.025 0.000 0.273 471 R C 0.290 176.089 176.300 -0.836 0.000 1.080 471 R CA 0.524 56.370 56.100 -0.423 0.000 1.197 471 R CB 0.192 30.270 30.300 -0.370 0.000 1.109 471 R HN 0.210 nan 8.270 nan 0.000 0.535 472 G N -0.194 108.022 108.800 -0.973 0.000 2.561 472 G HA2 0.235 4.210 3.960 0.025 0.000 0.310 472 G HA3 0.235 4.210 3.960 0.025 0.000 0.310 472 G C -2.558 171.914 174.900 -0.713 0.000 1.292 472 G CA -0.806 43.369 45.100 -1.542 0.000 0.811 472 G HN 0.271 nan 8.290 nan 0.000 0.482 473 P HA 0.018 nan 4.420 nan 0.000 0.231 473 P C 0.861 178.145 177.300 -0.027 0.000 1.158 473 P CA 0.967 63.964 63.100 -0.171 0.000 0.763 473 P CB 0.260 31.762 31.700 -0.329 0.000 0.805 474 N N -2.004 116.624 118.700 -0.120 0.000 2.205 474 N HA -0.029 4.726 4.740 0.025 0.000 0.201 474 N C -0.110 175.349 175.510 -0.086 0.000 1.128 474 N CA -0.471 52.535 53.050 -0.074 0.000 0.867 474 N CB -0.403 38.010 38.487 -0.125 0.000 0.996 474 N HN -0.040 nan 8.380 nan 0.000 0.503 475 Y N 1.392 121.556 120.300 -0.226 0.000 2.717 475 Y HA 0.112 4.678 4.550 0.026 0.000 0.330 475 Y C -1.608 174.125 175.900 -0.279 0.000 1.217 475 Y CA -1.386 56.520 58.100 -0.322 0.000 1.506 475 Y CB 0.854 39.002 38.460 -0.520 0.000 1.268 475 Y HN 0.133 nan 8.280 nan 0.000 0.561 476 P HA -0.202 nan 4.420 nan 0.000 0.215 476 P C 0.535 177.664 177.300 -0.284 0.000 1.157 476 P CA 2.418 65.269 63.100 -0.416 0.000 0.874 476 P CB 0.157 31.581 31.700 -0.460 0.000 0.790 477 N N -2.026 116.438 118.700 -0.394 0.000 2.364 477 N HA -0.137 4.619 4.740 0.025 0.000 0.183 477 N C 1.229 176.868 175.510 0.215 0.000 1.022 477 N CA 0.601 53.604 53.050 -0.078 0.000 0.883 477 N CB -0.317 38.172 38.487 0.004 0.000 0.965 477 N HN 0.358 nan 8.380 nan 0.000 0.438 478 Y N -0.382 119.986 120.300 0.113 0.000 2.457 478 Y HA 0.306 4.871 4.550 0.025 0.000 0.263 478 Y C 1.982 177.923 175.900 0.069 0.000 1.164 478 Y CA -0.806 57.371 58.100 0.129 0.000 1.274 478 Y CB 0.394 39.028 38.460 0.290 0.000 1.097 478 Y HN 0.091 nan 8.280 nan 0.000 0.523 479 A N 0.002 122.925 122.820 0.172 0.000 2.167 479 A HA -0.045 4.290 4.320 0.025 0.000 0.214 479 A C 1.783 179.438 177.584 0.118 0.000 1.151 479 A CA 1.032 53.153 52.037 0.140 0.000 0.735 479 A CB -0.265 18.774 19.000 0.066 0.000 0.802 479 A HN 0.469 nan 8.150 nan 0.000 0.467 480 M N -1.655 117.990 119.600 0.076 0.000 2.638 480 M HA 0.192 4.687 4.480 0.025 0.000 0.256 480 M C -0.357 175.958 176.300 0.026 0.000 1.282 480 M CA 0.295 55.619 55.300 0.040 0.000 1.155 480 M CB 0.487 33.107 32.600 0.034 0.000 1.345 480 M HN 0.246 nan 8.290 nan 0.000 0.523 481 N N 0.129 118.835 118.700 0.009 0.000 2.314 481 N HA 0.453 5.208 4.740 0.025 0.000 0.304 481 N C -0.591 174.910 175.510 -0.015 0.000 1.073 481 N CA -0.776 52.283 53.050 0.014 0.000 0.822 481 N CB 2.492 40.994 38.487 0.025 0.000 1.280 481 N HN -0.064 nan 8.380 nan 0.000 0.489 482 V N -0.039 119.782 119.914 -0.153 0.000 3.432 482 V HA 0.466 4.601 4.120 0.025 0.000 0.304 482 V C 1.320 177.440 176.094 0.044 0.000 1.107 482 V CA 0.111 62.271 62.300 -0.233 0.000 1.153 482 V CB 0.010 31.309 31.823 -0.874 0.000 1.072 482 V HN 0.964 nan 8.190 nan 0.000 0.485 483 G N 1.107 109.912 108.800 0.007 0.000 2.176 483 G HA2 -0.248 3.727 3.960 0.025 0.000 0.252 483 G HA3 -0.248 3.727 3.960 0.025 0.000 0.252 483 G C 0.038 174.850 174.900 -0.147 0.000 1.024 483 G CA 1.169 46.308 45.100 0.064 0.000 0.755 483 G HN 1.392 nan 8.290 nan 0.000 0.507 484 H N -2.114 116.812 119.070 -0.240 0.000 2.276 484 H HA 0.216 4.787 4.556 0.025 0.000 0.199 484 H C 2.403 177.077 175.328 -1.091 0.000 0.867 484 H CA 0.723 56.316 56.048 -0.758 0.000 0.948 484 H CB -0.358 28.915 29.762 -0.815 0.000 1.251 484 H HN 0.313 nan 8.280 nan 0.000 0.388 485 Q N 0.623 120.149 119.800 -0.456 0.000 2.050 485 Q HA -0.085 4.270 4.340 0.025 0.000 0.202 485 Q C 2.309 178.097 176.000 -0.353 0.000 0.980 485 Q CA 1.568 57.110 55.803 -0.435 0.000 0.840 485 Q CB -0.248 28.363 28.738 -0.211 0.000 0.898 485 Q HN 0.521 nan 8.270 nan 0.000 0.424 486 G N 0.634 109.436 108.800 0.005 0.000 2.432 486 G HA2 -0.255 3.720 3.960 0.025 0.000 0.219 486 G HA3 -0.255 3.720 3.960 0.025 0.000 0.219 486 G C 1.019 175.842 174.900 -0.128 0.000 1.135 486 G CA 0.814 45.974 45.100 0.101 0.000 0.767 486 G HN 0.253 nan 8.290 nan 0.000 0.550 487 E N 0.032 120.056 120.200 -0.293 0.000 2.110 487 E HA -0.073 4.292 4.350 0.025 0.000 0.193 487 E C 2.022 178.309 176.600 -0.523 0.000 0.988 487 E CA 0.849 57.041 56.400 -0.347 0.000 0.804 487 E CB -0.420 29.093 29.700 -0.313 0.000 0.745 487 E HN 0.726 nan 8.360 nan 0.000 0.458 488 Y N 0.212 119.991 120.300 -0.869 0.000 2.224 488 Y HA -0.195 4.369 4.550 0.024 0.000 0.289 488 Y C 2.405 177.856 175.900 -0.749 0.000 1.146 488 Y CA 0.210 57.686 58.100 -1.041 0.000 1.182 488 Y CB -0.161 37.315 38.460 -1.640 0.000 0.983 488 Y HN 0.094 nan 8.280 nan 0.000 0.524 489 A N 0.557 123.112 122.820 -0.441 0.000 1.908 489 A HA -0.162 4.173 4.320 0.025 0.000 0.218 489 A C 2.480 180.045 177.584 -0.031 0.000 1.181 489 A CA 1.806 53.804 52.037 -0.065 0.000 0.627 489 A CB -1.472 17.618 19.000 0.151 0.000 0.818 489 A HN 0.487 nan 8.150 nan 0.000 0.445 490 G N 0.062 108.821 108.800 -0.069 0.000 2.421 490 G HA2 -0.200 3.775 3.960 0.025 0.000 0.216 490 G HA3 -0.200 3.775 3.960 0.025 0.000 0.216 490 G C 1.512 176.379 174.900 -0.056 0.000 1.171 490 G CA 1.141 46.223 45.100 -0.030 0.000 0.775 490 G HN 0.494 nan 8.290 nan 0.000 0.543 491 I N 1.784 122.280 120.570 -0.123 0.000 2.286 491 I HA -0.205 3.981 4.170 0.025 0.000 0.248 491 I C 3.175 179.241 176.117 -0.086 0.000 1.115 491 I CA 1.417 62.634 61.300 -0.139 0.000 1.392 491 I CB -0.239 37.651 38.000 -0.182 0.000 1.065 491 I HN 0.363 nan 8.210 nan 0.000 0.418 492 S N 0.646 116.315 115.700 -0.052 0.000 2.368 492 S HA -0.306 4.179 4.470 0.025 0.000 0.225 492 S C 2.024 176.723 174.600 0.164 0.000 1.030 492 S CA 1.575 59.804 58.200 0.050 0.000 0.999 492 S CB -0.423 62.825 63.200 0.079 0.000 0.844 492 S HN 0.424 nan 8.310 nan 0.000 0.459 493 Q N 1.936 121.813 119.800 0.128 0.000 2.079 493 Q HA 0.176 4.532 4.340 0.025 0.000 0.200 493 Q C 2.190 178.299 176.000 0.181 0.000 0.974 493 Q CA 1.778 57.688 55.803 0.179 0.000 0.840 493 Q CB -1.088 27.732 28.738 0.137 0.000 0.898 493 Q HN 0.641 nan 8.270 nan 0.000 0.430 494 A N 1.581 124.462 122.820 0.101 0.000 1.884 494 A HA -0.176 4.159 4.320 0.025 0.000 0.219 494 A C -0.331 177.368 177.584 0.193 0.000 1.197 494 A CA 1.968 54.090 52.037 0.142 0.000 0.637 494 A CB -1.962 16.907 19.000 -0.220 0.000 0.827 494 A HN 0.571 nan 8.150 nan 0.000 0.450 495 P HA -0.143 nan 4.420 nan 0.000 0.219 495 P C 0.920 178.131 177.300 -0.149 0.000 1.150 495 P CA 1.391 64.440 63.100 -0.086 0.000 0.814 495 P CB -0.389 31.154 31.700 -0.262 0.000 0.787 496 H N 0.286 119.386 119.070 0.050 0.000 2.389 496 H HA 0.061 4.633 4.556 0.027 0.000 0.299 496 H C 2.116 177.468 175.328 0.041 0.000 1.081 496 H CA 1.560 57.616 56.048 0.014 0.000 1.345 496 H CB -0.785 28.969 29.762 -0.013 0.000 1.393 496 H HN 0.116 nan 8.280 nan 0.000 0.520 497 A N 1.374 124.307 122.820 0.188 0.000 1.877 497 A HA -0.069 4.266 4.320 0.025 0.000 0.216 497 A C 2.709 180.338 177.584 0.075 0.000 1.186 497 A CA 1.695 53.817 52.037 0.142 0.000 0.620 497 A CB -0.802 18.299 19.000 0.168 0.000 0.822 497 A HN 0.421 nan 8.150 nan 0.000 0.443 498 A N -0.305 122.561 122.820 0.076 0.000 1.933 498 A HA -0.146 4.189 4.320 0.025 0.000 0.218 498 A C 2.201 179.788 177.584 0.004 0.000 1.175 498 A CA 1.534 53.567 52.037 -0.006 0.000 0.628 498 A CB -0.409 18.628 19.000 0.063 0.000 0.814 498 A HN 0.542 nan 8.150 nan 0.000 0.444 499 R N -1.599 118.911 120.500 0.016 0.000 2.235 499 R HA 0.127 4.482 4.340 0.025 0.000 0.213 499 R C 1.362 177.673 176.300 0.019 0.000 1.059 499 R CA 0.608 56.711 56.100 0.006 0.000 0.997 499 R CB -0.200 30.093 30.300 -0.012 0.000 0.884 499 R HN 0.719 nan 8.270 nan 0.000 0.462 500 G N 1.601 110.425 108.800 0.040 0.000 2.147 500 G HA2 -0.230 3.745 3.960 0.025 0.000 0.244 500 G HA3 -0.230 3.745 3.960 0.025 0.000 0.244 500 G C -0.621 174.297 174.900 0.030 0.000 1.005 500 G CA 0.097 45.226 45.100 0.049 0.000 0.713 500 G HN 0.260 nan 8.290 nan 0.000 0.515 501 D N -0.210 120.206 120.400 0.027 0.000 2.414 501 D HA 0.464 5.119 4.640 0.025 0.000 0.242 501 D C 1.500 177.775 176.300 -0.041 0.000 1.129 501 D CA 0.531 54.504 54.000 -0.045 0.000 0.885 501 D CB 1.075 41.841 40.800 -0.057 0.000 1.198 501 D HN 0.369 nan 8.370 nan 0.000 0.437 502 A N 2.151 124.930 122.820 -0.069 0.000 2.066 502 A HA 0.075 4.410 4.320 0.025 0.000 0.218 502 A C 0.462 178.135 177.584 0.148 0.000 1.157 502 A CA 0.932 53.003 52.037 0.056 0.000 0.670 502 A CB -0.453 18.589 19.000 0.070 0.000 0.804 502 A HN 0.543 nan 8.150 nan 0.000 0.453 503 F N -6.314 113.607 119.950 -0.048 0.000 2.711 503 F HA 0.599 5.142 4.527 0.027 0.000 0.313 503 F C 0.154 175.844 175.800 -0.183 0.000 1.141 503 F CA -0.961 56.990 58.000 -0.081 0.000 0.941 503 F CB 0.807 39.733 39.000 -0.122 0.000 1.349 503 F HN -0.281 nan 8.300 nan 0.000 0.464 504 V N 0.084 119.951 119.914 -0.078 0.000 2.672 504 V HA 0.060 4.195 4.120 0.025 0.000 0.242 504 V C 0.511 176.585 176.094 -0.032 0.000 1.059 504 V CA 1.628 63.688 62.300 -0.401 0.000 1.081 504 V CB 0.299 32.082 31.823 -0.065 0.000 0.752 504 V HN 0.874 nan 8.190 nan 0.000 0.472 505 F N -0.777 119.269 119.950 0.159 0.000 2.743 505 F HA 0.453 4.995 4.527 0.026 0.000 0.356 505 F C 0.064 175.975 175.800 0.185 0.000 0.845 505 F CA -0.123 57.992 58.000 0.192 0.000 1.058 505 F CB 0.695 39.802 39.000 0.178 0.000 0.952 505 F HN 0.104 nan 8.300 nan 0.000 0.620 506 N N 2.086 120.748 118.700 -0.063 0.000 2.558 506 N HA 0.300 5.055 4.740 0.025 0.000 0.285 506 N C -2.493 172.642 175.510 -0.624 0.000 1.112 506 N CA -1.631 51.121 53.050 -0.496 0.000 0.857 506 N CB 2.315 40.363 38.487 -0.733 0.000 1.376 506 N HN -0.090 nan 8.380 nan 0.000 0.526 507 P HA -0.053 nan 4.420 nan 0.000 0.221 507 P C 1.524 178.436 177.300 -0.647 0.000 1.150 507 P CA 0.654 63.125 63.100 -1.048 0.000 0.800 507 P CB 0.784 31.700 31.700 -1.307 0.000 0.787 508 L N -0.806 120.063 121.223 -0.589 0.000 2.056 508 L HA -0.103 4.252 4.340 0.025 0.000 0.207 508 L C 2.717 179.378 176.870 -0.349 0.000 1.078 508 L CA 1.163 55.738 54.840 -0.442 0.000 0.749 508 L CB -1.282 40.453 42.059 -0.541 0.000 0.901 508 L HN -0.169 nan 8.230 nan 0.000 0.433 509 V N 0.256 119.937 119.914 -0.389 0.000 2.343 509 V HA -0.278 3.857 4.120 0.025 0.000 0.247 509 V C 2.623 178.662 176.094 -0.091 0.000 1.051 509 V CA 1.910 64.063 62.300 -0.244 0.000 1.036 509 V CB -0.508 31.024 31.823 -0.485 0.000 0.654 509 V HN 0.381 nan 8.190 nan 0.000 0.451 510 K N 0.838 121.144 120.400 -0.157 0.000 2.032 510 K HA -0.153 4.182 4.320 0.025 0.000 0.209 510 K C 1.764 178.385 176.600 0.034 0.000 1.048 510 K CA 1.931 58.209 56.287 -0.016 0.000 0.927 510 K CB -0.626 31.862 32.500 -0.020 0.000 0.712 510 K HN 0.470 nan 8.250 nan 0.000 0.441 511 I N 0.320 120.751 120.570 -0.232 0.000 2.315 511 I HA -0.170 4.015 4.170 0.025 0.000 0.248 511 I C 2.199 178.166 176.117 -0.251 0.000 1.117 511 I CA 1.009 62.120 61.300 -0.315 0.000 1.404 511 I CB -0.348 37.049 38.000 -1.006 0.000 1.071 511 I HN 0.231 nan 8.210 nan 0.000 0.419 512 A N 0.381 123.063 122.820 -0.231 0.000 2.019 512 A HA -0.145 4.190 4.320 0.025 0.000 0.219 512 A C 1.774 179.164 177.584 -0.323 0.000 1.164 512 A CA 1.485 53.419 52.037 -0.171 0.000 0.644 512 A CB -0.728 18.193 19.000 -0.131 0.000 0.805 512 A HN 0.420 nan 8.150 nan 0.000 0.449 513 F N -0.761 119.128 119.950 -0.103 0.000 2.693 513 F HA 0.377 4.919 4.527 0.026 0.000 0.303 513 F C 1.564 177.352 175.800 -0.020 0.000 1.097 513 F CA 0.214 58.139 58.000 -0.125 0.000 1.330 513 F CB 0.303 39.108 39.000 -0.324 0.000 1.067 513 F HN 0.169 nan 8.300 nan 0.000 0.565 514 A N 0.428 123.301 122.820 0.088 0.000 3.135 514 A HA 0.247 4.582 4.320 0.025 0.000 0.253 514 A C -0.462 177.138 177.584 0.027 0.000 1.638 514 A CA 0.083 52.134 52.037 0.023 0.000 1.295 514 A CB -0.769 18.212 19.000 -0.032 0.000 1.106 514 A HN 0.130 nan 8.150 nan 0.000 0.648 515 D N -0.132 120.310 120.400 0.069 0.000 2.686 515 D HA 0.226 4.881 4.640 0.025 0.000 0.249 515 D C -0.330 176.030 176.300 0.100 0.000 1.260 515 D CA -0.397 53.651 54.000 0.080 0.000 0.910 515 D CB 1.243 42.099 40.800 0.093 0.000 1.323 515 D HN 0.137 nan 8.370 nan 0.000 0.561 516 D N 2.444 122.875 120.400 0.052 0.000 2.363 516 D HA -0.042 4.614 4.640 0.025 0.000 0.220 516 D C 0.718 177.038 176.300 0.033 0.000 0.994 516 D CA 0.440 54.464 54.000 0.040 0.000 0.890 516 D CB 0.139 40.939 40.800 0.000 0.000 0.906 516 D HN 0.438 nan 8.370 nan 0.000 0.530 517 N N -0.328 118.383 118.700 0.019 0.000 2.398 517 N HA 0.087 4.842 4.740 0.025 0.000 0.188 517 N C 0.362 175.978 175.510 0.178 0.000 1.122 517 N CA -0.063 52.969 53.050 -0.029 0.000 0.866 517 N CB 0.430 38.674 38.487 -0.405 0.000 0.970 517 N HN 0.099 nan 8.380 nan 0.000 0.462 518 L N 0.031 121.404 121.223 0.251 0.000 2.482 518 L HA -0.010 4.345 4.340 0.025 0.000 0.273 518 L C 1.466 178.496 176.870 0.268 0.000 1.228 518 L CA -0.265 54.768 54.840 0.322 0.000 0.827 518 L CB 0.737 43.054 42.059 0.431 0.000 1.099 518 L HN -0.027 nan 8.230 nan 0.000 0.494 519 V N 1.097 121.192 119.914 0.302 0.000 2.379 519 V HA -0.123 4.012 4.120 0.025 0.000 0.243 519 V C 0.597 176.881 176.094 0.316 0.000 1.035 519 V CA 0.722 63.167 62.300 0.241 0.000 1.035 519 V CB -0.290 31.686 31.823 0.255 0.000 0.673 519 V HN 0.481 nan 8.190 nan 0.000 0.457 520 F N 1.711 121.831 119.950 0.283 0.000 2.429 520 F HA 0.326 4.868 4.527 0.025 0.000 0.348 520 F C 0.298 176.104 175.800 0.010 0.000 1.109 520 F CA -0.659 57.437 58.000 0.159 0.000 1.232 520 F CB 0.673 39.588 39.000 -0.142 0.000 1.157 520 F HN 0.029 nan 8.300 nan 0.000 0.564 521 D N 5.616 125.733 120.400 -0.473 0.000 2.456 521 D HA 0.082 4.737 4.640 0.025 0.000 0.219 521 D C 0.462 176.626 176.300 -0.227 0.000 1.126 521 D CA -0.064 53.801 54.000 -0.225 0.000 0.890 521 D CB -0.121 40.542 40.800 -0.228 0.000 1.025 521 D HN 0.454 nan 8.370 nan 0.000 0.511 522 F N 0.965 121.061 119.950 0.244 0.000 2.641 522 F HA -0.087 4.455 4.527 0.025 0.000 0.298 522 F C 2.590 178.457 175.800 0.112 0.000 1.146 522 F CA 0.956 59.123 58.000 0.279 0.000 1.464 522 F CB -0.089 39.085 39.000 0.292 0.000 1.101 522 F HN 0.373 nan 8.300 nan 0.000 0.585 523 T N -3.369 111.281 114.554 0.160 0.000 3.088 523 T HA -0.040 4.325 4.350 0.025 0.000 0.259 523 T C 0.877 175.580 174.700 0.004 0.000 1.122 523 T CA 0.676 62.820 62.100 0.074 0.000 1.095 523 T CB -0.196 68.691 68.868 0.032 0.000 0.930 523 T HN 0.114 nan 8.240 nan 0.000 0.508 524 N N 0.434 119.095 118.700 -0.065 0.000 2.697 524 N HA 0.260 5.016 4.740 0.025 0.000 0.253 524 N C 0.608 175.972 175.510 -0.244 0.000 1.604 524 N CA -0.218 52.756 53.050 -0.126 0.000 0.772 524 N CB 0.626 39.043 38.487 -0.116 0.000 1.267 524 N HN 0.023 nan 8.380 nan 0.000 0.510 525 V N 1.436 121.214 119.914 -0.227 0.000 2.287 525 V HA -0.218 3.917 4.120 0.025 0.000 0.248 525 V C 2.277 177.936 176.094 -0.724 0.000 1.053 525 V CA 1.821 63.887 62.300 -0.391 0.000 1.027 525 V CB -0.241 31.390 31.823 -0.320 0.000 0.646 525 V HN 0.505 nan 8.190 nan 0.000 0.447 526 R N -0.027 120.179 120.500 -0.491 0.000 2.092 526 R HA -0.081 4.274 4.340 0.025 0.000 0.231 526 R C 2.488 178.673 176.300 -0.191 0.000 1.119 526 R CA 1.337 57.218 56.100 -0.365 0.000 0.970 526 R CB -0.837 29.385 30.300 -0.130 0.000 0.864 526 R HN 0.600 nan 8.270 nan 0.000 0.440 527 G N 1.318 110.018 108.800 -0.167 0.000 2.440 527 G HA2 -0.259 3.716 3.960 0.025 0.000 0.218 527 G HA3 -0.259 3.716 3.960 0.025 0.000 0.218 527 G C 1.205 176.047 174.900 -0.098 0.000 1.154 527 G CA 0.553 45.592 45.100 -0.101 0.000 0.767 527 G HN 0.221 nan 8.290 nan 0.000 0.552 528 E N 0.409 120.471 120.200 -0.229 0.000 2.072 528 E HA -0.071 4.295 4.350 0.025 0.000 0.191 528 E C 2.313 178.951 176.600 0.063 0.000 0.985 528 E CA 0.487 56.760 56.400 -0.212 0.000 0.801 528 E CB -0.385 28.835 29.700 -0.800 0.000 0.750 528 E HN 0.411 nan 8.360 nan 0.000 0.452 529 F N 1.263 121.178 119.950 -0.058 0.000 2.126 529 F HA -0.155 4.387 4.527 0.025 0.000 0.299 529 F C 2.522 178.329 175.800 0.012 0.000 1.096 529 F CA 0.738 58.718 58.000 -0.033 0.000 1.255 529 F CB -1.537 37.400 39.000 -0.105 0.000 0.997 529 F HN -0.012 nan 8.300 nan 0.000 0.479 530 A N -0.208 122.733 122.820 0.202 0.000 1.877 530 A HA -0.247 4.088 4.320 0.025 0.000 0.216 530 A C 2.351 180.010 177.584 0.125 0.000 1.186 530 A CA 1.930 54.052 52.037 0.140 0.000 0.620 530 A CB -0.828 18.225 19.000 0.088 0.000 0.822 530 A HN 0.347 nan 8.150 nan 0.000 0.443 531 K N -0.729 119.743 120.400 0.119 0.000 2.063 531 K HA -0.131 4.204 4.320 0.025 0.000 0.208 531 K C 2.014 178.723 176.600 0.182 0.000 1.048 531 K CA 1.506 57.878 56.287 0.143 0.000 0.928 531 K CB -0.542 32.060 32.500 0.169 0.000 0.713 531 K HN 0.401 nan 8.250 nan 0.000 0.442 532 G N 0.148 109.053 108.800 0.176 0.000 2.422 532 G HA2 -0.235 3.740 3.960 0.025 0.000 0.218 532 G HA3 -0.235 3.740 3.960 0.025 0.000 0.218 532 G C 1.541 176.515 174.900 0.123 0.000 1.146 532 G CA 0.830 46.014 45.100 0.140 0.000 0.769 532 G HN 0.436 nan 8.290 nan 0.000 0.547 533 A N 0.548 123.443 122.820 0.125 0.000 1.972 533 A HA 0.140 4.475 4.320 0.025 0.000 0.219 533 A C 2.217 179.868 177.584 0.110 0.000 1.169 533 A CA 0.936 53.044 52.037 0.119 0.000 0.635 533 A CB -0.302 18.778 19.000 0.133 0.000 0.810 533 A HN 0.357 nan 8.150 nan 0.000 0.446 534 L N -1.564 119.725 121.223 0.110 0.000 2.599 534 L HA 0.083 4.438 4.340 0.025 0.000 0.230 534 L C 0.507 177.432 176.870 0.093 0.000 1.141 534 L CA 0.063 54.960 54.840 0.095 0.000 0.877 534 L CB -0.222 41.890 42.059 0.089 0.000 1.009 534 L HN 0.396 nan 8.230 nan 0.000 0.447 535 R N -0.102 120.463 120.500 0.108 0.000 3.531 535 R HA -0.206 4.149 4.340 0.025 0.000 0.280 535 R C 0.353 176.718 176.300 0.108 0.000 1.130 535 R CA 0.713 56.877 56.100 0.107 0.000 0.757 535 R CB -2.024 28.326 30.300 0.083 0.000 1.218 535 R HN 0.489 nan 8.270 nan 0.000 0.454 536 E N -0.370 119.908 120.200 0.130 0.000 2.526 536 E HA 0.112 4.477 4.350 0.025 0.000 0.208 536 E C -0.281 176.395 176.600 0.127 0.000 0.997 536 E CA -0.236 56.227 56.400 0.105 0.000 0.961 536 E CB 0.398 30.147 29.700 0.080 0.000 1.030 536 E HN 0.223 nan 8.360 nan 0.000 0.483 537 F N 2.301 122.273 119.950 0.038 0.000 2.404 537 F HA 0.205 4.747 4.527 0.025 0.000 0.345 537 F C -0.027 175.800 175.800 0.045 0.000 1.110 537 F CA -0.508 57.515 58.000 0.039 0.000 1.130 537 F CB 0.803 39.841 39.000 0.063 0.000 1.129 537 F HN -0.239 nan 8.300 nan 0.000 0.500 538 E N 8.105 128.105 120.200 -0.335 0.000 2.073 538 E HA 0.247 4.612 4.350 0.025 0.000 0.269 538 E C -2.327 174.191 176.600 -0.137 0.000 0.917 538 E CA -1.950 54.362 56.400 -0.146 0.000 0.757 538 E CB 0.865 30.468 29.700 -0.161 0.000 1.111 538 E HN 0.387 nan 8.360 nan 0.000 0.410 539 P HA 0.218 nan 4.420 nan 0.000 0.278 539 P C -0.709 176.673 177.300 0.136 0.000 1.266 539 P CA -0.436 62.841 63.100 0.296 0.000 0.807 539 P CB 1.057 32.955 31.700 0.329 0.000 1.094 540 A N -0.263 122.643 122.820 0.144 0.000 2.246 540 A HA 0.606 4.941 4.320 0.025 0.000 0.291 540 A C 1.157 178.782 177.584 0.069 0.000 1.103 540 A CA 0.108 52.195 52.037 0.083 0.000 0.844 540 A CB -0.620 18.429 19.000 0.082 0.000 1.136 540 A HN 0.856 nan 8.150 nan 0.000 0.500 541 G N -0.979 107.841 108.800 0.035 0.000 2.175 541 G HA2 -0.159 3.816 3.960 0.025 0.000 0.244 541 G HA3 -0.159 3.816 3.960 0.025 0.000 0.244 541 G C 0.072 174.983 174.900 0.018 0.000 0.982 541 G CA 0.322 45.434 45.100 0.019 0.000 0.641 541 G HN 0.726 nan 8.290 nan 0.000 0.527 542 E N -0.377 119.835 120.200 0.021 0.000 2.392 542 E HA 0.497 4.862 4.350 0.025 0.000 0.259 542 E C 1.096 177.693 176.600 -0.005 0.000 1.108 542 E CA -0.282 56.127 56.400 0.015 0.000 0.916 542 E CB 0.553 30.265 29.700 0.019 0.000 0.989 542 E HN 0.267 nan 8.360 nan 0.000 0.432 543 R N 0.574 121.071 120.500 -0.005 0.000 2.468 543 R HA 0.200 4.555 4.340 0.025 0.000 0.280 543 R C 1.446 177.733 176.300 -0.023 0.000 0.963 543 R CA 0.442 56.532 56.100 -0.016 0.000 1.083 543 R CB 0.052 30.350 30.300 -0.004 0.000 1.200 543 R HN 0.526 nan 8.270 nan 0.000 0.541 544 A N 0.729 123.537 122.820 -0.021 0.000 1.948 544 A HA -0.199 4.136 4.320 0.025 0.000 0.220 544 A C 1.821 179.385 177.584 -0.033 0.000 1.177 544 A CA 1.420 53.445 52.037 -0.020 0.000 0.636 544 A CB -0.352 18.639 19.000 -0.014 0.000 0.815 544 A HN 0.333 nan 8.150 nan 0.000 0.449 545 L N 0.102 121.287 121.223 -0.062 0.000 2.201 545 L HA 0.002 4.357 4.340 0.025 0.000 0.212 545 L C 1.713 178.543 176.870 -0.067 0.000 1.105 545 L CA 1.892 56.679 54.840 -0.088 0.000 0.775 545 L CB -0.317 41.625 42.059 -0.194 0.000 0.913 545 L HN 0.595 nan 8.230 nan 0.000 0.440 546 I N -3.074 117.465 120.570 -0.051 0.000 3.914 546 I HA 0.307 4.493 4.170 0.025 0.000 0.333 546 I C 0.097 176.212 176.117 -0.004 0.000 1.449 546 I CA 0.028 61.317 61.300 -0.018 0.000 1.135 546 I CB -0.557 37.437 38.000 -0.011 0.000 1.073 546 I HN 0.187 nan 8.210 nan 0.000 0.401 547 T N -2.038 112.512 114.554 -0.006 0.000 2.907 547 T HA 0.680 5.045 4.350 0.025 0.000 0.290 547 T C -2.680 172.021 174.700 0.001 0.000 1.066 547 T CA -1.604 60.496 62.100 0.000 0.000 1.012 547 T CB 1.324 70.191 68.868 -0.001 0.000 1.184 547 T HN -0.129 nan 8.240 nan 0.000 0.522 548 P HA 0.471 nan 4.420 nan 0.000 0.270 548 P C -0.148 177.153 177.300 0.003 0.000 1.223 548 P CA -0.421 62.682 63.100 0.005 0.000 0.785 548 P CB -0.014 31.689 31.700 0.005 0.000 0.923 549 A N 0.000 122.822 122.820 0.004 0.000 2.254 549 A HA 0.000 4.335 4.320 0.025 0.000 0.244 549 A CA 0.000 52.039 52.037 0.003 0.000 0.836 549 A CB 0.000 19.003 19.000 0.005 0.000 0.831 549 A HN 0.000 nan 8.150 nan 0.000 0.486