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 3n2c_1_C DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.692 174.700 -0.013 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 3 I N 2.209 122.770 120.570 -0.014 0.000 2.478 3 I HA 0.603 4.773 4.170 0.000 0.000 0.287 3 I C -0.585 175.521 176.117 -0.019 0.000 1.042 3 I CA -0.163 61.127 61.300 -0.015 0.000 1.067 3 I CB 2.403 40.395 38.000 -0.015 0.000 1.233 3 I HN 0.067 nan 8.210 nan 0.000 0.431 4 T N 5.145 119.687 114.554 -0.020 0.000 2.856 4 T HA 0.695 5.045 4.350 0.000 0.000 0.283 4 T C -0.650 174.036 174.700 -0.023 0.000 1.008 4 T CA -0.645 61.438 62.100 -0.027 0.000 0.997 4 T CB 1.939 70.786 68.868 -0.035 0.000 0.992 4 T HN 0.158 nan 8.240 nan 0.000 0.454 5 V N 4.091 123.990 119.914 -0.025 0.000 2.443 5 V HA 0.365 4.485 4.120 0.000 0.000 0.293 5 V C -0.339 175.747 176.094 -0.014 0.000 1.021 5 V CA -0.839 61.458 62.300 -0.005 0.000 0.848 5 V CB 1.404 33.230 31.823 0.006 0.000 0.998 5 V HN 0.753 nan 8.190 nan 0.000 0.424 6 L N 6.187 127.401 121.223 -0.016 0.000 2.315 6 L HA 0.453 4.793 4.340 0.000 0.000 0.283 6 L C 0.420 177.293 176.870 0.005 0.000 1.089 6 L CA -0.098 54.712 54.840 -0.050 0.000 0.833 6 L CB 0.775 42.791 42.059 -0.073 0.000 1.170 6 L HN 0.756 nan 8.230 nan 0.000 0.442 7 Q N 2.170 121.970 119.800 0.000 0.000 2.312 7 Q HA 0.549 4.889 4.340 0.000 0.000 0.263 7 Q C 0.560 176.474 176.000 -0.144 0.000 0.995 7 Q CA -0.369 55.471 55.803 0.062 0.000 0.853 7 Q CB 1.982 30.847 28.738 0.211 0.000 1.300 7 Q HN 0.776 nan 8.270 nan 0.000 0.448 8 G N 1.872 110.380 108.800 -0.487 0.000 2.198 8 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 8 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 8 G C 0.313 175.071 174.900 -0.236 0.000 1.025 8 G CA -0.067 44.840 45.100 -0.321 0.000 0.769 8 G HN 1.013 nan 8.290 nan 0.000 0.507 9 G N -0.776 107.893 108.800 -0.218 0.000 2.562 9 G HA2 0.504 4.464 3.960 0.000 0.000 0.275 9 G HA3 0.504 4.464 3.960 0.000 0.000 0.275 9 G C -0.004 174.812 174.900 -0.141 0.000 1.196 9 G CA -0.482 44.527 45.100 -0.151 0.000 0.908 9 G HN 0.460 nan 8.290 nan 0.000 0.524 10 N N 0.021 118.650 118.700 -0.119 0.000 2.949 10 N HA 0.302 5.042 4.740 0.000 0.000 0.243 10 N C -0.425 175.041 175.510 -0.072 0.000 1.113 10 N CA -0.534 52.457 53.050 -0.099 0.000 0.980 10 N CB 1.814 40.239 38.487 -0.103 0.000 1.256 10 N HN 0.185 nan 8.380 nan 0.000 0.508 11 V N 2.210 122.082 119.914 -0.070 0.000 2.540 11 V HA -0.064 4.056 4.120 0.000 0.000 0.297 11 V C 0.639 176.684 176.094 -0.081 0.000 1.024 11 V CA 0.034 62.289 62.300 -0.075 0.000 1.105 11 V CB 0.482 32.252 31.823 -0.089 0.000 0.938 11 V HN 0.601 nan 8.190 nan 0.000 0.482 12 L N 5.208 126.398 121.223 -0.055 0.000 2.278 12 L HA 0.341 4.681 4.340 0.000 0.000 0.287 12 L C 0.273 177.119 176.870 -0.039 0.000 1.072 12 L CA -0.092 54.724 54.840 -0.041 0.000 0.819 12 L CB 0.758 42.805 42.059 -0.020 0.000 1.176 12 L HN 0.662 nan 8.230 nan 0.000 0.435 13 D N 4.311 124.684 120.400 -0.046 0.000 2.249 13 D HA 0.171 4.812 4.640 0.000 0.000 0.246 13 D C 0.568 176.860 176.300 -0.012 0.000 1.114 13 D CA -0.140 53.839 54.000 -0.035 0.000 0.854 13 D CB 1.822 42.593 40.800 -0.049 0.000 1.132 13 D HN 0.485 nan 8.370 nan 0.000 0.461 14 L N 3.156 124.380 121.223 0.002 0.000 2.357 14 L HA 0.006 4.346 4.340 0.000 0.000 0.211 14 L C 2.311 179.193 176.870 0.020 0.000 1.075 14 L CA 0.147 54.997 54.840 0.017 0.000 0.830 14 L CB 0.093 42.170 42.059 0.031 0.000 0.996 14 L HN 0.448 nan 8.230 nan 0.000 0.467 15 E N 0.477 120.686 120.200 0.016 0.000 2.208 15 E HA -0.169 4.181 4.350 0.000 0.000 0.193 15 E C 1.838 178.446 176.600 0.013 0.000 0.988 15 E CA 0.854 57.265 56.400 0.018 0.000 0.828 15 E CB -0.109 29.601 29.700 0.016 0.000 0.763 15 E HN 0.480 nan 8.360 nan 0.000 0.478 16 R N 0.085 120.588 120.500 0.006 0.000 2.223 16 R HA 0.116 4.456 4.340 0.000 0.000 0.198 16 R C 1.051 177.354 176.300 0.004 0.000 0.984 16 R CA 0.578 56.680 56.100 0.003 0.000 1.018 16 R CB 0.273 30.570 30.300 -0.005 0.000 0.945 16 R HN 0.331 nan 8.270 nan 0.000 0.479 17 G N 1.414 110.217 108.800 0.004 0.000 2.182 17 G HA2 -0.233 3.727 3.960 0.000 0.000 0.248 17 G HA3 -0.233 3.727 3.960 0.000 0.000 0.248 17 G C -0.046 174.854 174.900 0.000 0.000 1.042 17 G CA 0.302 45.407 45.100 0.007 0.000 0.775 17 G HN 0.265 nan 8.290 nan 0.000 0.501 18 V N -2.972 116.936 119.914 -0.010 0.000 3.007 18 V HA 0.833 4.953 4.120 0.000 0.000 0.311 18 V C 0.550 176.626 176.094 -0.030 0.000 1.120 18 V CA -1.764 60.527 62.300 -0.015 0.000 0.980 18 V CB 2.135 33.950 31.823 -0.013 0.000 1.033 18 V HN 0.280 nan 8.190 nan 0.000 0.429 19 L N 2.716 123.922 121.223 -0.030 0.000 2.371 19 L HA 0.475 4.815 4.340 0.000 0.000 0.272 19 L C -0.424 176.413 176.870 -0.055 0.000 1.124 19 L CA -0.409 54.404 54.840 -0.044 0.000 0.816 19 L CB 1.176 43.213 42.059 -0.036 0.000 1.129 19 L HN 0.563 nan 8.230 nan 0.000 0.448 20 L N 4.145 125.308 121.223 -0.100 0.000 2.426 20 L HA 0.237 4.577 4.340 0.000 0.000 0.255 20 L C 0.402 177.282 176.870 0.017 0.000 1.080 20 L CA -0.614 54.138 54.840 -0.147 0.000 0.960 20 L CB 0.338 42.096 42.059 -0.503 0.000 1.326 20 L HN 0.628 nan 8.230 nan 0.000 0.441 21 E N 2.150 122.398 120.200 0.081 0.000 2.436 21 E HA -0.062 4.288 4.350 0.000 0.000 0.262 21 E C 0.038 176.743 176.600 0.176 0.000 1.063 21 E CA -0.248 56.173 56.400 0.034 0.000 0.944 21 E CB 0.282 29.976 29.700 -0.011 0.000 0.950 21 E HN 0.530 nan 8.360 nan 0.000 0.444 22 H N -0.806 118.278 119.070 0.023 0.000 2.921 22 H HA -0.162 4.394 4.556 0.000 0.000 0.281 22 H C -0.459 174.757 175.328 -0.187 0.000 1.165 22 H CA 1.267 57.264 56.048 -0.086 0.000 1.151 22 H CB -2.103 27.624 29.762 -0.059 0.000 1.311 22 H HN 0.587 nan 8.280 nan 0.000 0.361 23 H N 0.358 119.359 119.070 -0.115 0.000 2.505 23 H HA 0.347 4.903 4.556 0.000 0.000 0.355 23 H C 0.981 176.158 175.328 -0.251 0.000 1.179 23 H CA 0.098 56.090 56.048 -0.093 0.000 1.343 23 H CB 0.791 30.541 29.762 -0.019 0.000 1.501 23 H HN 0.248 nan 8.280 nan 0.000 0.569 24 H N 0.623 119.750 119.070 0.095 0.000 2.529 24 H HA 0.364 4.920 4.556 0.000 0.000 0.348 24 H C -0.843 174.511 175.328 0.043 0.000 1.152 24 H CA -0.827 55.245 56.048 0.040 0.000 1.202 24 H CB 1.695 31.460 29.762 0.005 0.000 1.562 24 H HN 0.228 nan 8.280 nan 0.000 0.515 25 V N 3.463 123.447 119.914 0.117 0.000 2.350 25 V HA 0.132 4.252 4.120 0.000 0.000 0.285 25 V C 0.162 176.283 176.094 0.045 0.000 1.014 25 V CA -0.777 61.561 62.300 0.063 0.000 0.831 25 V CB 1.336 33.170 31.823 0.018 0.000 1.000 25 V HN 0.421 nan 8.190 nan 0.000 0.433 26 V N 6.313 126.251 119.914 0.040 0.000 2.364 26 V HA 0.430 4.550 4.120 0.000 0.000 0.272 26 V C 0.050 176.148 176.094 0.007 0.000 1.036 26 V CA -0.337 61.974 62.300 0.018 0.000 0.880 26 V CB 1.253 33.084 31.823 0.013 0.000 0.991 26 V HN 0.596 nan 8.190 nan 0.000 0.460 27 I N 3.722 124.290 120.570 -0.003 0.000 2.392 27 I HA 0.470 4.640 4.170 0.000 0.000 0.295 27 I C -0.357 175.756 176.117 -0.008 0.000 0.985 27 I CA -0.393 60.903 61.300 -0.007 0.000 1.221 27 I CB 1.619 39.610 38.000 -0.015 0.000 1.366 27 I HN 0.567 nan 8.210 nan 0.000 0.467 28 D N 4.139 124.535 120.400 -0.006 0.000 2.440 28 D HA 0.536 5.176 4.640 0.000 0.000 0.252 28 D C 0.682 176.978 176.300 -0.007 0.000 1.180 28 D CA 0.570 54.566 54.000 -0.007 0.000 0.894 28 D CB 1.194 41.991 40.800 -0.004 0.000 1.111 28 D HN 0.872 nan 8.370 nan 0.000 0.544 29 G N 4.468 113.263 108.800 -0.009 0.000 2.950 29 G HA2 -0.348 3.612 3.960 0.000 0.000 0.299 29 G HA3 -0.348 3.612 3.960 0.000 0.000 0.299 29 G C 0.796 175.689 174.900 -0.011 0.000 1.310 29 G CA 0.547 45.641 45.100 -0.009 0.000 0.994 29 G HN 0.531 nan 8.290 nan 0.000 0.575 30 E N 0.725 120.920 120.200 -0.009 0.000 2.490 30 E HA 0.236 4.586 4.350 0.000 0.000 0.209 30 E C 1.067 177.663 176.600 -0.007 0.000 0.971 30 E CA -0.174 56.220 56.400 -0.010 0.000 0.988 30 E CB 0.727 30.422 29.700 -0.009 0.000 1.029 30 E HN 0.402 nan 8.360 nan 0.000 0.496 31 R N 0.907 121.405 120.500 -0.004 0.000 2.711 31 R HA 0.469 4.809 4.340 0.000 0.000 0.284 31 R C -0.358 175.942 176.300 -0.000 0.000 0.968 31 R CA -0.809 55.291 56.100 -0.000 0.000 0.924 31 R CB 1.947 32.249 30.300 0.004 0.000 1.162 31 R HN -0.047 nan 8.270 nan 0.000 0.465 32 I N 2.780 123.351 120.570 0.002 0.000 2.517 32 I HA -0.064 4.106 4.170 0.000 0.000 0.285 32 I C 1.556 177.678 176.117 0.008 0.000 1.106 32 I CA 0.041 61.344 61.300 0.005 0.000 1.402 32 I CB 1.014 39.017 38.000 0.006 0.000 1.399 32 I HN 0.536 nan 8.210 nan 0.000 0.535 33 V N 1.608 121.527 119.914 0.009 0.000 3.431 33 V HA 0.320 4.440 4.120 0.000 0.000 0.253 33 V C 0.531 176.634 176.094 0.015 0.000 1.184 33 V CA 0.325 62.630 62.300 0.010 0.000 1.104 33 V CB -0.113 31.713 31.823 0.005 0.000 0.799 33 V HN 0.803 nan 8.190 nan 0.000 0.462 34 E N 0.147 120.360 120.200 0.021 0.000 2.343 34 E HA 0.545 4.895 4.350 0.000 0.000 0.286 34 E C -1.919 174.713 176.600 0.053 0.000 0.915 34 E CA -0.478 55.942 56.400 0.033 0.000 0.784 34 E CB 2.809 32.526 29.700 0.027 0.000 1.251 34 E HN 0.144 nan 8.360 nan 0.000 0.407 35 V N 3.210 123.165 119.914 0.068 0.000 2.347 35 V HA 0.642 4.762 4.120 0.000 0.000 0.280 35 V C 0.049 176.246 176.094 0.171 0.000 1.021 35 V CA -0.340 62.025 62.300 0.108 0.000 0.847 35 V CB 1.236 33.102 31.823 0.072 0.000 0.990 35 V HN 0.715 nan 8.190 nan 0.000 0.444 36 T N 1.809 116.499 114.554 0.227 0.000 2.769 36 T HA 0.369 4.719 4.350 0.000 0.000 0.306 36 T C -0.781 173.955 174.700 0.060 0.000 1.400 36 T CA -0.140 62.066 62.100 0.177 0.000 1.007 36 T CB 2.138 71.050 68.868 0.074 0.000 1.392 36 T HN 0.798 nan 8.240 nan 0.000 0.500 37 D N 0.524 120.818 120.400 -0.177 0.000 2.500 37 D HA 0.108 4.748 4.640 0.000 0.000 0.217 37 D C 0.603 176.874 176.300 -0.047 0.000 1.159 37 D CA -0.423 53.419 54.000 -0.263 0.000 0.828 37 D CB 0.091 40.420 40.800 -0.785 0.000 1.039 37 D HN 0.679 nan 8.370 nan 0.000 0.512 38 R N 1.356 121.826 120.500 -0.049 0.000 2.694 38 R HA 0.332 4.672 4.340 0.000 0.000 0.268 38 R C -2.148 174.079 176.300 -0.123 0.000 1.061 38 R CA -1.132 54.930 56.100 -0.064 0.000 1.133 38 R CB -0.735 29.530 30.300 -0.057 0.000 1.020 38 R HN -0.191 nan 8.270 nan 0.000 0.475 39 P HA -0.068 nan 4.420 nan 0.000 0.257 39 P C -0.081 177.108 177.300 -0.184 0.000 1.227 39 P CA 0.042 63.057 63.100 -0.141 0.000 0.981 39 P CB 0.441 32.095 31.700 -0.076 0.000 1.044 40 V N 3.624 123.344 119.914 -0.323 0.000 2.715 40 V HA -0.012 4.108 4.120 0.000 0.000 0.299 40 V C 0.587 176.588 176.094 -0.155 0.000 1.054 40 V CA -0.072 62.072 62.300 -0.260 0.000 1.077 40 V CB 0.487 32.088 31.823 -0.370 0.000 0.972 40 V HN 0.412 nan 8.190 nan 0.000 0.484 41 D N 5.698 126.036 120.400 -0.103 0.000 2.348 41 D HA 0.169 4.809 4.640 0.000 0.000 0.259 41 D C 0.067 176.330 176.300 -0.063 0.000 1.296 41 D CA 0.071 54.029 54.000 -0.070 0.000 0.931 41 D CB 0.048 40.818 40.800 -0.051 0.000 1.067 41 D HN 0.542 nan 8.370 nan 0.000 0.503 42 L N 2.740 123.928 121.223 -0.059 0.000 2.599 42 L HA 0.560 4.900 4.340 0.000 0.000 0.241 42 L C -2.086 174.765 176.870 -0.032 0.000 1.207 42 L CA -1.223 53.590 54.840 -0.045 0.000 0.987 42 L CB 0.939 42.970 42.059 -0.046 0.000 1.318 42 L HN 0.148 nan 8.230 nan 0.000 0.458 43 P HA 0.055 nan 4.420 nan 0.000 0.207 43 P C 0.743 178.032 177.300 -0.018 0.000 1.208 43 P CA 0.942 64.029 63.100 -0.022 0.000 0.908 43 P CB 0.049 31.737 31.700 -0.020 0.000 0.744 44 N N 0.310 119.000 118.700 -0.017 0.000 2.550 44 N HA 0.085 4.825 4.740 0.000 0.000 0.186 44 N C 0.746 176.246 175.510 -0.016 0.000 1.110 44 N CA 0.335 53.376 53.050 -0.015 0.000 0.912 44 N CB -1.127 37.352 38.487 -0.013 0.000 0.968 44 N HN 0.246 nan 8.380 nan 0.000 0.448 45 A N 0.112 122.921 122.820 -0.018 0.000 2.346 45 A HA 0.201 4.521 4.320 0.000 0.000 0.255 45 A C 0.031 177.603 177.584 -0.019 0.000 1.113 45 A CA -0.309 51.716 52.037 -0.019 0.000 0.798 45 A CB 0.152 19.138 19.000 -0.023 0.000 1.073 45 A HN 0.352 nan 8.150 nan 0.000 0.502 46 Q N -0.203 119.584 119.800 -0.021 0.000 2.363 46 Q HA 0.540 4.880 4.340 0.000 0.000 0.265 46 Q C -0.590 175.391 176.000 -0.033 0.000 1.032 46 Q CA -0.524 55.265 55.803 -0.024 0.000 0.746 46 Q CB 1.295 30.019 28.738 -0.023 0.000 1.237 46 Q HN 0.950 nan 8.270 nan 0.000 0.475 47 A N 4.430 127.231 122.820 -0.032 0.000 2.316 47 A HA 0.672 4.992 4.320 0.000 0.000 0.284 47 A C -0.618 176.923 177.584 -0.072 0.000 1.115 47 A CA -0.390 51.624 52.037 -0.039 0.000 0.812 47 A CB 0.558 19.546 19.000 -0.020 0.000 1.064 47 A HN 0.811 nan 8.150 nan 0.000 0.489 48 I N 1.115 121.617 120.570 -0.114 0.000 2.466 48 I HA 0.204 4.374 4.170 0.000 0.000 0.289 48 I C -1.026 174.975 176.117 -0.194 0.000 1.026 48 I CA -0.499 60.668 61.300 -0.221 0.000 1.078 48 I CB 2.199 39.966 38.000 -0.388 0.000 1.249 48 I HN 0.682 nan 8.210 nan 0.000 0.429 49 D N 5.605 125.913 120.400 -0.153 0.000 2.325 49 D HA 0.321 4.961 4.640 0.000 0.000 0.251 49 D C -0.078 176.183 176.300 -0.066 0.000 1.196 49 D CA 0.027 53.986 54.000 -0.068 0.000 0.866 49 D CB 1.082 41.879 40.800 -0.006 0.000 1.101 49 D HN 0.215 nan 8.370 nan 0.000 0.476 50 V N 4.658 124.534 119.914 -0.063 0.000 2.854 50 V HA 0.250 4.370 4.120 0.000 0.000 0.366 50 V C 0.490 176.555 176.094 -0.048 0.000 1.322 50 V CA -0.677 61.593 62.300 -0.050 0.000 1.243 50 V CB -0.603 31.169 31.823 -0.086 0.000 1.337 50 V HN 0.426 nan 8.190 nan 0.000 0.585 51 R N 1.595 122.081 120.500 -0.023 0.000 2.316 51 R HA 0.471 4.811 4.340 0.000 0.000 0.314 51 R C 1.218 177.498 176.300 -0.034 0.000 1.069 51 R CA 0.458 56.540 56.100 -0.031 0.000 0.959 51 R CB 0.517 30.824 30.300 0.012 0.000 0.987 51 R HN 0.635 nan 8.270 nan 0.000 0.446 52 G N 2.444 111.196 108.800 -0.080 0.000 2.198 52 G HA2 -0.314 3.646 3.960 0.000 0.000 0.257 52 G HA3 -0.314 3.646 3.960 0.000 0.000 0.257 52 G C -0.245 174.626 174.900 -0.047 0.000 1.042 52 G CA 0.154 45.216 45.100 -0.063 0.000 0.791 52 G HN 0.542 nan 8.290 nan 0.000 0.502 53 K N -0.329 120.036 120.400 -0.059 0.000 2.469 53 K HA 0.554 4.874 4.320 0.000 0.000 0.254 53 K C -0.217 176.353 176.600 -0.049 0.000 0.939 53 K CA -0.703 55.564 56.287 -0.033 0.000 0.812 53 K CB 1.652 34.154 32.500 0.004 0.000 1.301 53 K HN 0.061 nan 8.250 nan 0.000 0.433 54 T N 1.606 116.138 114.554 -0.036 0.000 2.832 54 T HA 0.206 4.556 4.350 0.000 0.000 0.296 54 T C -0.350 174.329 174.700 -0.035 0.000 0.968 54 T CA -0.440 61.636 62.100 -0.040 0.000 1.107 54 T CB 0.618 69.466 68.868 -0.032 0.000 0.916 54 T HN 0.120 nan 8.240 nan 0.000 0.517 55 V N 6.248 126.136 119.914 -0.044 0.000 2.347 55 V HA 0.552 4.672 4.120 0.000 0.000 0.280 55 V C 0.132 176.200 176.094 -0.043 0.000 1.021 55 V CA -0.647 61.626 62.300 -0.045 0.000 0.847 55 V CB 0.707 32.500 31.823 -0.050 0.000 0.990 55 V HN 0.915 nan 8.190 nan 0.000 0.444 56 M N 5.308 124.880 119.600 -0.046 0.000 2.691 56 M HA 0.829 5.309 4.480 0.000 0.000 0.293 56 M C -3.034 173.228 176.300 -0.062 0.000 1.259 56 M CA -2.311 52.970 55.300 -0.031 0.000 0.827 56 M CB 2.355 34.963 32.600 0.014 0.000 1.753 56 M HN 0.180 nan 8.290 nan 0.000 0.465 57 P HA 0.236 nan 4.420 nan 0.000 0.272 57 P C -0.116 177.093 177.300 -0.151 0.000 1.223 57 P CA -0.001 63.063 63.100 -0.059 0.000 0.784 57 P CB 0.315 32.013 31.700 -0.004 0.000 0.923 58 G N 1.470 110.147 108.800 -0.206 0.000 2.432 58 G HA2 0.275 4.235 3.960 0.000 0.000 0.239 58 G HA3 0.275 4.235 3.960 0.000 0.000 0.239 58 G C -0.603 174.148 174.900 -0.248 0.000 1.291 58 G CA -0.277 44.592 45.100 -0.384 0.000 0.863 58 G HN 0.212 nan 8.290 nan 0.000 0.560 59 F N 0.418 120.254 119.950 -0.190 0.000 2.459 59 F HA 0.410 4.937 4.527 0.000 0.000 0.346 59 F C 0.845 176.653 175.800 0.014 0.000 1.128 59 F CA -1.076 56.792 58.000 -0.219 0.000 1.268 59 F CB 0.609 39.202 39.000 -0.679 0.000 1.161 59 F HN 0.167 nan 8.300 nan 0.000 0.583 60 I N 2.304 123.046 120.570 0.287 0.000 2.355 60 I HA 0.205 4.375 4.170 0.000 0.000 0.288 60 I C -0.502 175.828 176.117 0.354 0.000 0.999 60 I CA -0.727 60.756 61.300 0.305 0.000 1.163 60 I CB 1.312 39.425 38.000 0.189 0.000 1.316 60 I HN 0.433 nan 8.210 nan 0.000 0.454 61 D N 5.105 125.752 120.400 0.411 0.000 2.277 61 D HA 0.204 4.844 4.640 0.000 0.000 0.249 61 D C 0.283 176.714 176.300 0.218 0.000 1.134 61 D CA -0.320 53.877 54.000 0.329 0.000 0.863 61 D CB 1.695 42.530 40.800 0.059 0.000 1.143 61 D HN 0.593 nan 8.370 nan 0.000 0.458 62 C N 2.567 121.994 119.300 0.211 0.000 2.697 62 C HA 0.147 4.607 4.460 0.000 0.000 0.267 62 C C 0.704 175.773 174.990 0.131 0.000 1.278 62 C CA -0.214 58.878 59.018 0.123 0.000 1.708 62 C CB -1.544 26.240 27.740 0.073 0.000 1.860 62 C HN 0.583 nan 8.230 nan 0.000 0.589 63 H N 0.254 119.319 119.070 -0.009 0.000 2.895 63 H HA 0.478 5.034 4.556 0.000 0.000 0.282 63 H C -0.783 174.492 175.328 -0.089 0.000 1.338 63 H CA -0.106 55.896 56.048 -0.077 0.000 1.595 63 H CB 0.494 30.189 29.762 -0.113 0.000 1.771 63 H HN 0.095 nan 8.280 nan 0.000 0.573 64 V N 0.906 120.663 119.914 -0.261 0.000 2.864 64 V HA 0.551 4.671 4.120 0.000 0.000 0.314 64 V C -0.487 175.396 176.094 -0.352 0.000 1.073 64 V CA -0.797 61.398 62.300 -0.175 0.000 0.956 64 V CB 2.390 34.178 31.823 -0.058 0.000 1.023 64 V HN 0.691 nan 8.190 nan 0.000 0.435 65 H N 2.350 121.456 119.070 0.060 0.000 2.632 65 H HA 0.421 4.977 4.556 0.000 0.000 0.258 65 H C 0.847 176.246 175.328 0.118 0.000 1.278 65 H CA -0.185 55.901 56.048 0.063 0.000 1.352 65 H CB 1.667 31.463 29.762 0.058 0.000 1.418 65 H HN 0.591 nan 8.280 nan 0.000 0.513 66 V N 2.424 122.402 119.914 0.106 0.000 2.332 66 V HA -0.266 3.854 4.120 0.000 0.000 0.248 66 V C 2.314 178.431 176.094 0.038 0.000 1.055 66 V CA 1.599 63.904 62.300 0.007 0.000 1.038 66 V CB -0.220 31.587 31.823 -0.026 0.000 0.651 66 V HN 0.561 nan 8.190 nan 0.000 0.450 67 L N 0.061 121.333 121.223 0.081 0.000 2.599 67 L HA 0.222 4.562 4.340 0.000 0.000 0.230 67 L C 1.403 178.312 176.870 0.066 0.000 1.141 67 L CA 0.124 55.000 54.840 0.060 0.000 0.877 67 L CB -0.281 41.810 42.059 0.053 0.000 1.009 67 L HN 0.278 nan 8.230 nan 0.000 0.447 68 A N -0.096 122.796 122.820 0.120 0.000 2.915 68 A HA 0.216 4.536 4.320 0.000 0.000 0.292 68 A C 1.415 179.059 177.584 0.100 0.000 1.632 68 A CA 0.162 52.241 52.037 0.069 0.000 1.337 68 A CB -0.177 18.849 19.000 0.043 0.000 1.111 68 A HN 0.374 nan 8.150 nan 0.000 0.569 69 S N 1.311 117.034 115.700 0.039 0.000 2.501 69 S HA 0.012 4.482 4.470 0.000 0.000 0.220 69 S C 0.476 175.066 174.600 -0.016 0.000 0.997 69 S CA 0.322 58.538 58.200 0.027 0.000 0.919 69 S CB -0.500 62.701 63.200 0.001 0.000 0.778 69 S HN 0.918 nan 8.310 nan 0.000 0.523 70 N N -1.187 117.490 118.700 -0.038 0.000 2.329 70 N HA 0.683 5.423 4.740 0.000 0.000 0.282 70 N C 0.356 175.827 175.510 -0.066 0.000 1.198 70 N CA -0.443 52.573 53.050 -0.057 0.000 0.790 70 N CB 1.209 39.670 38.487 -0.043 0.000 1.579 70 N HN -0.057 nan 8.380 nan 0.000 0.475 71 A N 0.601 123.395 122.820 -0.043 0.000 2.070 71 A HA -0.120 4.200 4.320 0.000 0.000 0.220 71 A C 0.826 178.379 177.584 -0.051 0.000 1.159 71 A CA 0.902 52.925 52.037 -0.023 0.000 0.656 71 A CB -0.695 18.345 19.000 0.067 0.000 0.800 71 A HN 0.732 nan 8.150 nan 0.000 0.453 72 N N 0.822 119.480 118.700 -0.070 0.000 2.415 72 N HA 0.267 5.007 4.740 0.000 0.000 0.246 72 N C 0.585 175.955 175.510 -0.233 0.000 1.078 72 N CA -0.075 52.900 53.050 -0.125 0.000 0.942 72 N CB 0.602 39.036 38.487 -0.088 0.000 1.140 72 N HN 0.326 nan 8.380 nan 0.000 0.501 73 L N 2.318 123.316 121.223 -0.375 0.000 2.217 73 L HA 0.026 4.366 4.340 0.000 0.000 0.211 73 L C 2.208 178.518 176.870 -0.934 0.000 1.107 73 L CA 0.820 55.288 54.840 -0.621 0.000 0.783 73 L CB -0.251 41.365 42.059 -0.738 0.000 0.919 73 L HN 0.562 nan 8.230 nan 0.000 0.442 74 G N -0.496 107.786 108.800 -0.863 0.000 2.421 74 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 74 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 74 G C 1.546 176.291 174.900 -0.258 0.000 1.171 74 G CA 0.829 45.603 45.100 -0.544 0.000 0.775 74 G HN 0.192 nan 8.290 nan 0.000 0.543 75 V N 0.727 120.522 119.914 -0.198 0.000 3.129 75 V HA -0.001 4.119 4.120 0.000 0.000 0.259 75 V C 2.349 178.382 176.094 -0.101 0.000 1.116 75 V CA 1.548 63.782 62.300 -0.109 0.000 1.127 75 V CB -0.187 31.593 31.823 -0.070 0.000 0.742 75 V HN 0.471 nan 8.190 nan 0.000 0.474 76 N N 0.598 119.209 118.700 -0.148 0.000 2.188 76 N HA -0.095 4.645 4.740 0.000 0.000 0.184 76 N C 1.729 177.193 175.510 -0.077 0.000 1.018 76 N CA 1.425 54.408 53.050 -0.112 0.000 0.858 76 N CB -0.198 38.203 38.487 -0.143 0.000 0.989 76 N HN 0.444 nan 8.380 nan 0.000 0.426 77 A N -0.728 122.036 122.820 -0.092 0.000 2.066 77 A HA -0.052 4.268 4.320 0.000 0.000 0.218 77 A C 2.008 179.596 177.584 0.006 0.000 1.157 77 A CA 1.650 53.678 52.037 -0.015 0.000 0.670 77 A CB -0.804 18.219 19.000 0.038 0.000 0.804 77 A HN 0.535 nan 8.150 nan 0.000 0.453 78 T N -1.357 113.190 114.554 -0.012 0.000 3.107 78 T HA 0.124 4.474 4.350 0.000 0.000 0.249 78 T C 0.811 175.514 174.700 0.004 0.000 1.096 78 T CA 0.151 62.254 62.100 0.004 0.000 1.012 78 T CB -0.443 68.423 68.868 -0.003 0.000 0.977 78 T HN 0.697 nan 8.240 nan 0.000 0.527 79 Q N 1.598 121.397 119.800 -0.002 0.000 2.373 79 Q HA 0.388 4.729 4.340 0.000 0.000 0.255 79 Q C -2.720 173.286 176.000 0.010 0.000 0.980 79 Q CA -2.114 53.689 55.803 0.000 0.000 0.882 79 Q CB -0.188 28.546 28.738 -0.007 0.000 1.249 79 Q HN 0.069 nan 8.270 nan 0.000 0.438 80 P HA -0.042 nan 4.420 nan 0.000 0.265 80 P C -0.038 177.271 177.300 0.015 0.000 1.187 80 P CA -0.076 63.032 63.100 0.013 0.000 0.766 80 P CB 0.512 32.216 31.700 0.007 0.000 0.820 81 N N 1.582 120.295 118.700 0.021 0.000 2.094 81 N HA -0.149 4.591 4.740 0.000 0.000 0.191 81 N C 1.602 177.122 175.510 0.017 0.000 1.023 81 N CA 1.407 54.472 53.050 0.025 0.000 0.857 81 N CB -0.503 38.002 38.487 0.030 0.000 1.013 81 N HN 0.428 nan 8.380 nan 0.000 0.426 82 I N 0.508 121.083 120.570 0.010 0.000 2.202 82 I HA -0.187 3.983 4.170 0.000 0.000 0.242 82 I C 2.164 178.281 176.117 0.001 0.000 1.091 82 I CA 0.628 61.930 61.300 0.004 0.000 1.368 82 I CB -0.175 37.826 38.000 0.001 0.000 1.058 82 I HN 0.066 nan 8.210 nan 0.000 0.410 83 L N 0.473 121.697 121.223 0.000 0.000 2.131 83 L HA -0.226 4.115 4.340 0.000 0.000 0.210 83 L C 2.765 179.633 176.870 -0.003 0.000 1.092 83 L CA 1.162 56.000 54.840 -0.003 0.000 0.759 83 L CB -0.479 41.579 42.059 -0.003 0.000 0.903 83 L HN 0.277 nan 8.230 nan 0.000 0.435 84 A N -0.194 122.627 122.820 0.002 0.000 1.877 84 A HA -0.199 4.121 4.320 0.000 0.000 0.216 84 A C 2.510 180.094 177.584 0.001 0.000 1.186 84 A CA 1.715 53.754 52.037 0.003 0.000 0.620 84 A CB -0.730 18.277 19.000 0.012 0.000 0.822 84 A HN 0.424 nan 8.150 nan 0.000 0.443 85 A N 0.213 123.034 122.820 0.002 0.000 1.865 85 A HA -0.100 4.220 4.320 0.000 0.000 0.217 85 A C 2.011 179.587 177.584 -0.014 0.000 1.191 85 A CA 1.736 53.771 52.037 -0.004 0.000 0.623 85 A CB -0.604 18.395 19.000 -0.002 0.000 0.826 85 A HN 0.418 nan 8.150 nan 0.000 0.444 86 I N -0.133 120.429 120.570 -0.014 0.000 2.151 86 I HA -0.257 3.913 4.170 0.000 0.000 0.243 86 I C 2.467 178.569 176.117 -0.024 0.000 1.080 86 I CA 1.748 63.036 61.300 -0.019 0.000 1.339 86 I CB -1.475 36.516 38.000 -0.016 0.000 1.039 86 I HN 0.359 nan 8.210 nan 0.000 0.409 87 R N 0.712 121.199 120.500 -0.021 0.000 2.237 87 R HA -0.092 4.248 4.340 0.000 0.000 0.219 87 R C 2.368 178.648 176.300 -0.034 0.000 1.080 87 R CA 1.320 57.405 56.100 -0.026 0.000 0.995 87 R CB -0.263 30.026 30.300 -0.020 0.000 0.875 87 R HN 0.519 nan 8.270 nan 0.000 0.462 88 S N 0.500 116.180 115.700 -0.034 0.000 2.461 88 S HA 0.003 4.473 4.470 0.000 0.000 0.228 88 S C 1.957 176.517 174.600 -0.067 0.000 1.005 88 S CA 0.370 58.539 58.200 -0.051 0.000 0.942 88 S CB -0.114 63.064 63.200 -0.036 0.000 0.776 88 S HN 0.217 nan 8.310 nan 0.000 0.514 89 L N 1.213 122.404 121.223 -0.053 0.000 2.017 89 L HA 0.018 4.358 4.340 0.000 0.000 0.208 89 L C -0.544 176.291 176.870 -0.059 0.000 1.073 89 L CA 1.333 56.141 54.840 -0.054 0.000 0.745 89 L CB -2.082 39.952 42.059 -0.043 0.000 0.894 89 L HN 0.283 nan 8.230 nan 0.000 0.432 90 P HA -0.134 nan 4.420 nan 0.000 0.218 90 P C 1.831 179.081 177.300 -0.085 0.000 1.149 90 P CA 1.368 64.432 63.100 -0.061 0.000 0.817 90 P CB 0.087 31.754 31.700 -0.055 0.000 0.785 91 I N -1.486 119.012 120.570 -0.119 0.000 2.202 91 I HA -0.208 3.962 4.170 0.000 0.000 0.242 91 I C 2.274 178.282 176.117 -0.182 0.000 1.091 91 I CA 1.267 62.441 61.300 -0.211 0.000 1.368 91 I CB -0.632 37.167 38.000 -0.334 0.000 1.058 91 I HN -0.129 nan 8.210 nan 0.000 0.410 92 L N 0.236 121.380 121.223 -0.133 0.000 2.046 92 L HA -0.257 4.083 4.340 0.000 0.000 0.208 92 L C 2.193 179.029 176.870 -0.057 0.000 1.077 92 L CA 1.497 56.282 54.840 -0.092 0.000 0.747 92 L CB -0.573 41.440 42.059 -0.077 0.000 0.896 92 L HN 0.276 nan 8.230 nan 0.000 0.432 93 D N -0.175 120.192 120.400 -0.054 0.000 2.097 93 D HA -0.180 4.460 4.640 0.000 0.000 0.195 93 D C 2.167 178.455 176.300 -0.020 0.000 0.989 93 D CA 1.373 55.352 54.000 -0.035 0.000 0.827 93 D CB 0.116 40.894 40.800 -0.037 0.000 0.966 93 D HN 0.259 nan 8.370 nan 0.000 0.456 94 A N -0.017 122.785 122.820 -0.031 0.000 1.902 94 A HA -0.159 4.161 4.320 0.000 0.000 0.217 94 A C 2.323 179.930 177.584 0.039 0.000 1.181 94 A CA 1.491 53.523 52.037 -0.009 0.000 0.623 94 A CB -0.604 18.375 19.000 -0.035 0.000 0.818 94 A HN 0.293 nan 8.150 nan 0.000 0.443 95 M N -1.395 118.217 119.600 0.021 0.000 2.159 95 M HA -0.104 4.376 4.480 0.000 0.000 0.263 95 M C 2.155 178.579 176.300 0.207 0.000 1.063 95 M CA 1.284 56.642 55.300 0.097 0.000 1.110 95 M CB -0.322 32.274 32.600 -0.006 0.000 1.374 95 M HN 0.464 nan 8.290 nan 0.000 0.411 96 L N 0.193 121.477 121.223 0.103 0.000 2.156 96 L HA -0.095 4.245 4.340 0.000 0.000 0.208 96 L C 2.549 179.455 176.870 0.059 0.000 1.095 96 L CA 1.834 56.721 54.840 0.078 0.000 0.770 96 L CB -0.483 41.589 42.059 0.022 0.000 0.914 96 L HN 0.301 nan 8.230 nan 0.000 0.439 97 S N -1.400 114.336 115.700 0.059 0.000 2.453 97 S HA -0.088 4.382 4.470 0.000 0.000 0.231 97 S C 1.989 176.633 174.600 0.073 0.000 1.005 97 S CA 0.372 58.596 58.200 0.039 0.000 0.949 97 S CB -0.507 62.707 63.200 0.023 0.000 0.774 97 S HN 0.498 nan 8.310 nan 0.000 0.510 98 R N 0.733 121.332 120.500 0.165 0.000 2.299 98 R HA 0.237 4.577 4.340 0.000 0.000 0.197 98 R C 1.502 177.928 176.300 0.211 0.000 0.971 98 R CA 0.551 56.800 56.100 0.250 0.000 1.030 98 R CB -0.035 30.523 30.300 0.430 0.000 0.932 98 R HN 0.632 nan 8.270 nan 0.000 0.477 99 G N -0.058 108.769 108.800 0.044 0.000 2.192 99 G HA2 -0.217 3.743 3.960 0.000 0.000 0.193 99 G HA3 -0.217 3.743 3.960 0.000 0.000 0.193 99 G C -0.097 174.513 174.900 -0.483 0.000 0.999 99 G CA -0.754 44.132 45.100 -0.357 0.000 0.659 99 G HN 0.151 nan 8.290 nan 0.000 0.503 100 F N 2.630 122.609 119.950 0.048 0.000 2.438 100 F HA 0.445 4.972 4.527 0.000 0.000 0.360 100 F C 1.854 177.648 175.800 -0.011 0.000 1.118 100 F CA 0.795 58.837 58.000 0.070 0.000 1.164 100 F CB 1.455 40.538 39.000 0.137 0.000 1.131 100 F HN 0.095 nan 8.300 nan 0.000 0.527 101 T N -2.309 112.289 114.554 0.075 0.000 3.014 101 T HA 0.217 4.567 4.350 0.000 0.000 0.250 101 T C 0.485 175.227 174.700 0.069 0.000 1.060 101 T CA -0.046 62.068 62.100 0.023 0.000 1.040 101 T CB 0.136 68.973 68.868 -0.052 0.000 0.971 101 T HN 0.317 nan 8.240 nan 0.000 0.497 102 S N 0.815 116.607 115.700 0.153 0.000 2.548 102 S HA 0.700 5.170 4.470 0.000 0.000 0.276 102 S C -0.929 173.823 174.600 0.253 0.000 1.129 102 S CA -0.809 57.503 58.200 0.188 0.000 0.931 102 S CB 2.316 65.691 63.200 0.291 0.000 1.068 102 S HN 0.613 nan 8.310 nan 0.000 0.480 103 V N 0.610 120.652 119.914 0.214 0.000 2.876 103 V HA 0.730 4.850 4.120 0.000 0.000 0.312 103 V C -0.621 175.626 176.094 0.255 0.000 1.085 103 V CA -1.175 61.238 62.300 0.189 0.000 0.945 103 V CB 1.854 33.719 31.823 0.070 0.000 1.017 103 V HN 0.877 nan 8.190 nan 0.000 0.428 104 R N 1.953 122.565 120.500 0.187 0.000 2.239 104 R HA 0.416 4.756 4.340 0.000 0.000 0.332 104 R C -0.684 175.625 176.300 0.015 0.000 0.988 104 R CA -0.352 55.845 56.100 0.161 0.000 0.859 104 R CB 0.791 31.148 30.300 0.095 0.000 1.148 104 R HN 1.027 nan 8.270 nan 0.000 0.482 105 D N 2.529 122.934 120.400 0.007 0.000 2.345 105 D HA 0.155 4.795 4.640 0.000 0.000 0.247 105 D C 0.247 176.445 176.300 -0.170 0.000 1.108 105 D CA 0.191 54.131 54.000 -0.100 0.000 0.894 105 D CB 1.391 42.171 40.800 -0.034 0.000 1.203 105 D HN 0.603 nan 8.370 nan 0.000 0.430 106 A N 2.884 125.472 122.820 -0.385 0.000 2.465 106 A HA 0.598 4.918 4.320 0.000 0.000 0.255 106 A C 0.571 178.124 177.584 -0.051 0.000 1.274 106 A CA 0.327 52.135 52.037 -0.382 0.000 0.920 106 A CB -0.229 18.206 19.000 -0.942 0.000 1.033 106 A HN 0.740 nan 8.150 nan 0.000 0.516 107 G N -2.459 106.372 108.800 0.052 0.000 2.380 107 G HA2 0.521 4.481 3.960 0.000 0.000 0.250 107 G HA3 0.521 4.481 3.960 0.000 0.000 0.250 107 G C 0.431 175.461 174.900 0.218 0.000 1.578 107 G CA 0.399 45.611 45.100 0.187 0.000 0.974 107 G HN 1.813 nan 8.290 nan 0.000 0.680 108 G N 0.647 109.522 108.800 0.126 0.000 2.981 108 G HA2 0.378 4.338 3.960 0.000 0.000 0.198 108 G HA3 0.378 4.338 3.960 0.000 0.000 0.198 108 G C 1.066 176.013 174.900 0.078 0.000 1.806 108 G CA 1.209 46.372 45.100 0.105 0.000 1.374 108 G HN 2.507 nan 8.290 nan 0.000 0.555 109 A N 1.986 124.847 122.820 0.068 0.000 2.488 109 A HA 0.536 4.856 4.320 0.000 0.000 0.249 109 A C 0.505 178.119 177.584 0.052 0.000 1.083 109 A CA 1.230 53.293 52.037 0.043 0.000 0.768 109 A CB -0.018 18.993 19.000 0.018 0.000 1.017 109 A HN 1.035 nan 8.150 nan 0.000 0.496 110 D N 1.052 121.489 120.400 0.062 0.000 2.666 110 D HA 0.103 4.743 4.640 0.000 0.000 0.252 110 D C 0.746 177.124 176.300 0.130 0.000 1.143 110 D CA -0.774 53.290 54.000 0.107 0.000 1.096 110 D CB -0.269 40.608 40.800 0.128 0.000 1.260 110 D HN 0.491 nan 8.370 nan 0.000 0.633 111 W N 0.550 121.844 121.300 -0.010 0.000 2.374 111 W HA -0.110 4.550 4.660 0.000 0.000 0.288 111 W C 2.075 178.581 176.519 -0.022 0.000 1.218 111 W CA 2.245 59.579 57.345 -0.018 0.000 1.245 111 W CB -0.168 29.286 29.460 -0.010 0.000 1.126 111 W HN 0.328 nan 8.180 nan 0.000 0.545 112 S N 0.597 116.364 115.700 0.112 0.000 2.356 112 S HA -0.230 4.240 4.470 0.000 0.000 0.223 112 S C 1.912 176.423 174.600 -0.150 0.000 1.032 112 S CA 1.434 59.610 58.200 -0.041 0.000 1.005 112 S CB -0.940 62.302 63.200 0.069 0.000 0.867 112 S HN 0.297 nan 8.310 nan 0.000 0.449 113 L N 0.793 121.962 121.223 -0.091 0.000 2.141 113 L HA -0.027 4.313 4.340 0.000 0.000 0.209 113 L C 2.618 179.388 176.870 -0.167 0.000 1.094 113 L CA 1.116 55.893 54.840 -0.105 0.000 0.763 113 L CB -0.329 41.694 42.059 -0.059 0.000 0.908 113 L HN 0.412 nan 8.230 nan 0.000 0.437 114 M N -1.113 118.356 119.600 -0.218 0.000 2.132 114 M HA -0.222 4.258 4.480 0.000 0.000 0.263 114 M C 2.189 178.266 176.300 -0.371 0.000 1.065 114 M CA 1.588 56.717 55.300 -0.284 0.000 1.122 114 M CB -0.002 32.421 32.600 -0.294 0.000 1.365 114 M HN 0.205 nan 8.290 nan 0.000 0.411 115 Q N 0.021 119.506 119.800 -0.526 0.000 2.172 115 Q HA 0.001 4.342 4.340 0.000 0.000 0.200 115 Q C 2.088 177.901 176.000 -0.312 0.000 0.964 115 Q CA 1.562 57.042 55.803 -0.537 0.000 0.855 115 Q CB -0.488 27.743 28.738 -0.846 0.000 0.918 115 Q HN 0.669 nan 8.270 nan 0.000 0.444 116 A N 0.694 123.368 122.820 -0.243 0.000 1.902 116 A HA -0.137 4.183 4.320 0.000 0.000 0.217 116 A C 2.240 179.742 177.584 -0.138 0.000 1.181 116 A CA 1.935 53.878 52.037 -0.157 0.000 0.623 116 A CB -0.779 18.149 19.000 -0.120 0.000 0.818 116 A HN 0.295 nan 8.150 nan 0.000 0.443 117 V N -2.476 117.348 119.914 -0.150 0.000 2.591 117 V HA -0.115 4.006 4.120 0.000 0.000 0.249 117 V C 1.867 177.882 176.094 -0.132 0.000 1.053 117 V CA 2.234 64.457 62.300 -0.127 0.000 1.068 117 V CB -0.743 31.006 31.823 -0.123 0.000 0.689 117 V HN 0.567 nan 8.190 nan 0.000 0.462 118 E N 1.190 121.289 120.200 -0.168 0.000 2.106 118 E HA -0.125 4.225 4.350 0.000 0.000 0.192 118 E C 2.106 178.633 176.600 -0.122 0.000 0.984 118 E CA 1.802 58.110 56.400 -0.154 0.000 0.806 118 E CB -0.117 29.467 29.700 -0.193 0.000 0.750 118 E HN 0.884 nan 8.360 nan 0.000 0.458 119 T N -3.239 111.238 114.554 -0.128 0.000 3.122 119 T HA 0.274 4.624 4.350 0.000 0.000 0.250 119 T C 1.254 175.908 174.700 -0.077 0.000 1.067 119 T CA 0.317 62.359 62.100 -0.096 0.000 0.966 119 T CB 0.683 69.492 68.868 -0.099 0.000 1.002 119 T HN 0.222 nan 8.240 nan 0.000 0.542 120 G N 1.060 109.812 108.800 -0.081 0.000 2.160 120 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 120 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 120 G C 0.484 175.349 174.900 -0.058 0.000 1.008 120 G CA 0.330 45.392 45.100 -0.064 0.000 0.724 120 G HN 0.488 nan 8.290 nan 0.000 0.514 121 L N -0.758 120.425 121.223 -0.067 0.000 2.156 121 L HA 0.312 4.652 4.340 0.000 0.000 0.208 121 L C 1.376 178.214 176.870 -0.054 0.000 1.095 121 L CA 1.297 56.103 54.840 -0.058 0.000 0.770 121 L CB 0.237 42.258 42.059 -0.063 0.000 0.914 121 L HN 0.216 nan 8.230 nan 0.000 0.439 122 V N -1.424 118.453 119.914 -0.063 0.000 2.588 122 V HA 0.293 4.413 4.120 0.000 0.000 0.304 122 V C -0.102 175.957 176.094 -0.057 0.000 1.042 122 V CA -0.815 61.450 62.300 -0.058 0.000 0.877 122 V CB 1.868 33.652 31.823 -0.064 0.000 0.996 122 V HN -0.020 nan 8.190 nan 0.000 0.425 123 S N 3.241 118.913 115.700 -0.047 0.000 2.430 123 S HA 0.693 5.163 4.470 0.000 0.000 0.282 123 S C 0.242 174.816 174.600 -0.044 0.000 1.186 123 S CA 0.473 58.648 58.200 -0.043 0.000 1.060 123 S CB -0.262 62.917 63.200 -0.034 0.000 0.966 123 S HN 1.262 nan 8.310 nan 0.000 0.501 124 G N 4.808 113.580 108.800 -0.046 0.000 2.506 124 G HA2 0.511 4.471 3.960 0.000 0.000 0.292 124 G HA3 0.511 4.471 3.960 0.000 0.000 0.292 124 G C -3.496 171.382 174.900 -0.038 0.000 1.425 124 G CA -0.907 44.168 45.100 -0.042 0.000 0.788 124 G HN 0.459 nan 8.290 nan 0.000 0.490 125 P HA 0.282 nan 4.420 nan 0.000 0.274 125 P C -0.257 177.006 177.300 -0.061 0.000 1.237 125 P CA -0.529 62.565 63.100 -0.009 0.000 0.793 125 P CB 0.954 32.686 31.700 0.053 0.000 0.977 126 R N 1.881 122.329 120.500 -0.087 0.000 2.522 126 R HA 0.206 4.546 4.340 0.000 0.000 0.284 126 R C -0.458 175.693 176.300 -0.249 0.000 1.032 126 R CA 0.094 56.073 56.100 -0.202 0.000 1.049 126 R CB -0.523 29.630 30.300 -0.245 0.000 0.956 126 R HN 0.380 nan 8.270 nan 0.000 0.422 127 I N 4.910 125.294 120.570 -0.309 0.000 2.412 127 I HA 0.234 4.404 4.170 0.000 0.000 0.296 127 I C -0.627 175.263 176.117 -0.378 0.000 0.987 127 I CA -0.671 60.495 61.300 -0.223 0.000 1.180 127 I CB 1.380 39.301 38.000 -0.130 0.000 1.340 127 I HN 0.565 nan 8.210 nan 0.000 0.455 128 F N 7.010 126.956 119.950 -0.007 0.000 2.307 128 F HA 0.342 4.869 4.527 0.000 0.000 0.369 128 F C -2.051 173.742 175.800 -0.010 0.000 1.076 128 F CA -2.185 55.816 58.000 0.001 0.000 1.149 128 F CB 0.699 39.708 39.000 0.015 0.000 1.410 128 F HN 0.196 nan 8.300 nan 0.000 0.481 129 P HA 0.117 nan 4.420 nan 0.000 0.275 129 P C 0.020 177.355 177.300 0.059 0.000 1.228 129 P CA -0.122 63.022 63.100 0.073 0.000 0.786 129 P CB 1.848 33.595 31.700 0.078 0.000 0.927 130 S N 0.683 116.401 115.700 0.030 0.000 2.511 130 S HA 0.290 4.760 4.470 0.000 0.000 0.214 130 S C 1.197 175.810 174.600 0.021 0.000 0.997 130 S CA 0.470 58.674 58.200 0.006 0.000 0.908 130 S CB -0.397 62.800 63.200 -0.004 0.000 0.803 130 S HN 0.912 nan 8.310 nan 0.000 0.504 131 G N 2.515 111.341 108.800 0.043 0.000 2.536 131 G HA2 -0.235 3.725 3.960 0.000 0.000 0.280 131 G HA3 -0.235 3.725 3.960 0.000 0.000 0.280 131 G C -0.679 174.251 174.900 0.050 0.000 1.152 131 G CA -0.172 44.957 45.100 0.049 0.000 0.970 131 G HN 0.318 nan 8.290 nan 0.000 0.549 132 K N 1.317 121.741 120.400 0.040 0.000 2.110 132 K HA 0.723 5.043 4.320 0.000 0.000 0.263 132 K C 0.641 177.265 176.600 0.041 0.000 0.975 132 K CA 0.126 56.439 56.287 0.043 0.000 0.895 132 K CB 1.450 33.965 32.500 0.025 0.000 1.060 132 K HN 1.162 nan 8.250 nan 0.000 0.448 133 A N 2.952 125.805 122.820 0.056 0.000 2.445 133 A HA 0.318 4.638 4.320 0.000 0.000 0.242 133 A C 0.026 177.638 177.584 0.048 0.000 1.075 133 A CA -0.322 51.752 52.037 0.062 0.000 0.777 133 A CB 0.001 19.051 19.000 0.083 0.000 1.013 133 A HN 0.618 nan 8.150 nan 0.000 0.493 134 L N 1.864 123.133 121.223 0.076 0.000 2.289 134 L HA 0.575 4.915 4.340 0.000 0.000 0.285 134 L C 0.451 177.465 176.870 0.240 0.000 1.049 134 L CA -0.171 54.741 54.840 0.120 0.000 0.804 134 L CB 1.413 43.520 42.059 0.079 0.000 1.195 134 L HN 0.707 nan 8.230 nan 0.000 0.428 135 S N 1.777 117.583 115.700 0.177 0.000 2.546 135 S HA 0.463 4.933 4.470 0.000 0.000 0.274 135 S C -0.731 173.778 174.600 -0.152 0.000 1.121 135 S CA -0.808 57.406 58.200 0.024 0.000 0.887 135 S CB 1.868 65.004 63.200 -0.107 0.000 1.094 135 S HN 0.655 nan 8.310 nan 0.000 0.474 136 Q N 1.454 120.917 119.800 -0.561 0.000 2.414 136 Q HA 0.472 4.812 4.340 0.000 0.000 0.206 136 Q C -0.265 175.591 176.000 -0.239 0.000 1.058 136 Q CA -0.613 54.911 55.803 -0.464 0.000 1.025 136 Q CB -0.351 27.985 28.738 -0.670 0.000 1.196 136 Q HN 0.500 nan 8.270 nan 0.000 0.586 137 T N 0.526 114.981 114.554 -0.166 0.000 2.870 137 T HA 0.363 4.713 4.350 0.000 0.000 0.300 137 T C 1.052 175.685 174.700 -0.111 0.000 0.989 137 T CA 0.596 62.627 62.100 -0.114 0.000 1.139 137 T CB 0.249 69.072 68.868 -0.075 0.000 0.920 137 T HN 0.931 nan 8.240 nan 0.000 0.537 138 G N 2.538 111.280 108.800 -0.097 0.000 2.168 138 G HA2 -0.201 3.759 3.960 0.000 0.000 0.263 138 G HA3 -0.201 3.759 3.960 0.000 0.000 0.263 138 G C 0.612 175.461 174.900 -0.085 0.000 0.977 138 G CA 0.097 45.152 45.100 -0.076 0.000 0.659 138 G HN 1.127 nan 8.290 nan 0.000 0.533 139 G N -1.495 107.228 108.800 -0.128 0.000 2.516 139 G HA2 0.396 4.356 3.960 0.000 0.000 0.276 139 G HA3 0.396 4.356 3.960 0.000 0.000 0.276 139 G C 0.693 175.543 174.900 -0.083 0.000 1.390 139 G CA 0.644 45.675 45.100 -0.116 0.000 1.050 139 G HN 0.499 nan 8.290 nan 0.000 0.519 140 H N -0.846 118.121 119.070 -0.172 0.000 2.462 140 H HA 0.037 4.593 4.556 0.000 0.000 0.292 140 H C 2.424 177.545 175.328 -0.346 0.000 1.049 140 H CA 1.685 57.621 56.048 -0.185 0.000 1.334 140 H CB -0.230 29.423 29.762 -0.182 0.000 1.404 140 H HN 0.408 nan 8.280 nan 0.000 0.544 141 G N -0.981 107.545 108.800 -0.457 0.000 2.880 141 G HA2 -0.089 3.871 3.960 0.000 0.000 0.209 141 G HA3 -0.089 3.871 3.960 0.000 0.000 0.209 141 G C -0.021 174.308 174.900 -0.952 0.000 1.157 141 G CA 0.115 44.776 45.100 -0.731 0.000 0.779 141 G HN 0.306 nan 8.290 nan 0.000 0.539 142 D N 0.149 120.178 120.400 -0.618 0.000 2.411 142 D HA 0.271 4.911 4.640 0.000 0.000 0.225 142 D C 0.271 176.357 176.300 -0.357 0.000 1.156 142 D CA -0.869 52.877 54.000 -0.424 0.000 0.874 142 D CB 0.267 40.939 40.800 -0.213 0.000 1.034 142 D HN 0.033 nan 8.370 nan 0.000 0.502 143 F N 1.759 121.679 119.950 -0.050 0.000 2.797 143 F HA 0.204 4.731 4.527 0.000 0.000 0.302 143 F C 1.309 177.094 175.800 -0.025 0.000 1.130 143 F CA -0.178 57.797 58.000 -0.041 0.000 1.387 143 F CB -0.234 38.736 39.000 -0.051 0.000 1.107 143 F HN 0.016 nan 8.300 nan 0.000 0.577 144 R N 2.395 122.954 120.500 0.097 0.000 2.489 144 R HA 0.123 4.463 4.340 0.000 0.000 0.287 144 R C -2.070 174.259 176.300 0.049 0.000 1.053 144 R CA -1.395 54.742 56.100 0.061 0.000 1.036 144 R CB -0.220 30.094 30.300 0.022 0.000 0.966 144 R HN -0.016 nan 8.270 nan 0.000 0.432 145 P HA 0.062 nan 4.420 nan 0.000 0.277 145 P C -0.213 177.101 177.300 0.022 0.000 1.276 145 P CA -0.381 62.740 63.100 0.036 0.000 0.788 145 P CB 0.658 32.377 31.700 0.032 0.000 1.114 146 R N -0.387 120.124 120.500 0.019 0.000 2.339 146 R HA 0.000 4.340 4.340 0.000 0.000 0.199 146 R C 2.115 178.420 176.300 0.009 0.000 1.018 146 R CA 1.195 57.302 56.100 0.012 0.000 1.036 146 R CB -1.086 29.221 30.300 0.011 0.000 0.899 146 R HN 0.674 nan 8.270 nan 0.000 0.473 147 G N -0.167 108.640 108.800 0.011 0.000 2.666 147 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 147 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 147 G C 0.212 175.116 174.900 0.007 0.000 1.294 147 G CA 0.939 46.045 45.100 0.009 0.000 0.811 147 G HN 0.325 nan 8.290 nan 0.000 0.594 148 D N -2.069 118.336 120.400 0.007 0.000 2.626 148 D HA 0.502 5.142 4.640 0.000 0.000 0.278 148 D C -1.170 175.131 176.300 0.003 0.000 1.211 148 D CA -0.532 53.471 54.000 0.005 0.000 0.903 148 D CB 1.655 42.458 40.800 0.005 0.000 1.408 148 D HN -0.015 nan 8.370 nan 0.000 0.454 149 L N 1.967 123.190 121.223 0.000 0.000 2.433 149 L HA 0.404 4.744 4.340 0.000 0.000 0.256 149 L C -0.425 176.443 176.870 -0.003 0.000 1.063 149 L CA -0.264 54.574 54.840 -0.004 0.000 0.922 149 L CB 1.107 43.161 42.059 -0.009 0.000 1.238 149 L HN 0.111 nan 8.230 nan 0.000 0.466 150 L N 1.599 122.822 121.223 -0.000 0.000 2.379 150 L HA 0.347 4.687 4.340 0.000 0.000 0.269 150 L C 0.508 177.376 176.870 -0.004 0.000 1.084 150 L CA -0.672 54.168 54.840 0.001 0.000 0.802 150 L CB 1.591 43.654 42.059 0.007 0.000 1.175 150 L HN 0.491 nan 8.230 nan 0.000 0.448 151 E N 3.405 123.602 120.200 -0.004 0.000 2.292 151 E HA 0.082 4.432 4.350 0.000 0.000 0.265 151 E C -2.062 174.530 176.600 -0.014 0.000 1.093 151 E CA -1.287 55.107 56.400 -0.011 0.000 0.922 151 E CB 0.129 29.825 29.700 -0.007 0.000 1.001 151 E HN 0.242 nan 8.360 nan 0.000 0.444 152 P HA 0.096 nan 4.420 nan 0.000 0.234 152 P C 0.422 177.675 177.300 -0.079 0.000 1.799 152 P CA -0.410 62.669 63.100 -0.035 0.000 1.118 152 P CB -0.158 31.523 31.700 -0.032 0.000 1.827 153 C N 0.077 119.330 119.300 -0.079 0.000 2.472 153 C HA -0.050 4.410 4.460 0.000 0.000 0.278 153 C C 2.272 177.047 174.990 -0.359 0.000 1.447 153 C CA 0.576 59.483 59.018 -0.186 0.000 1.773 153 C CB -1.838 25.864 27.740 -0.063 0.000 1.793 153 C HN 0.455 nan 8.230 nan 0.000 0.544 154 S N 0.698 116.321 115.700 -0.129 0.000 2.402 154 S HA -0.178 4.292 4.470 0.000 0.000 0.229 154 S C 1.733 176.263 174.600 -0.116 0.000 1.021 154 S CA 1.534 59.712 58.200 -0.037 0.000 0.974 154 S CB -1.349 61.885 63.200 0.056 0.000 0.800 154 S HN 0.771 nan 8.310 nan 0.000 0.484 155 C N 1.075 120.290 119.300 -0.141 0.000 2.385 155 C HA -0.154 4.306 4.460 0.000 0.000 0.275 155 C C 2.893 177.812 174.990 -0.119 0.000 1.207 155 C CA 0.707 59.666 59.018 -0.100 0.000 1.760 155 C CB -1.787 25.894 27.740 -0.098 0.000 2.051 155 C HN 0.716 nan 8.230 nan 0.000 0.467 156 C N -0.576 118.561 119.300 -0.271 0.000 2.626 156 C HA 0.193 4.653 4.460 0.000 0.000 0.266 156 C C 2.059 177.016 174.990 -0.055 0.000 1.317 156 C CA 0.228 59.117 59.018 -0.215 0.000 1.716 156 C CB -1.789 25.779 27.740 -0.286 0.000 1.819 156 C HN 0.643 nan 8.230 nan 0.000 0.578 157 F N 0.103 120.065 119.950 0.020 0.000 2.500 157 F HA 0.194 4.721 4.527 0.000 0.000 0.285 157 F C 1.172 176.985 175.800 0.021 0.000 1.088 157 F CA -0.413 57.598 58.000 0.019 0.000 1.432 157 F CB -0.067 38.942 39.000 0.015 0.000 1.131 157 F HN -0.130 nan 8.300 nan 0.000 0.582 158 R N 1.940 122.552 120.500 0.187 0.000 2.351 158 R HA 0.051 4.391 4.340 0.000 0.000 0.318 158 R C 1.126 177.481 176.300 0.091 0.000 1.055 158 R CA 0.451 56.621 56.100 0.117 0.000 0.968 158 R CB -0.303 30.047 30.300 0.084 0.000 0.974 158 R HN 0.272 nan 8.270 nan 0.000 0.439 159 T N -0.604 113.998 114.554 0.080 0.000 2.867 159 T HA -0.093 4.257 4.350 0.000 0.000 0.268 159 T C 1.716 176.449 174.700 0.054 0.000 1.057 159 T CA 1.184 63.324 62.100 0.067 0.000 1.136 159 T CB -0.015 68.886 68.868 0.055 0.000 0.874 159 T HN 0.613 nan 8.240 nan 0.000 0.466 160 G N 0.954 109.780 108.800 0.043 0.000 3.026 160 G HA2 0.487 4.447 3.960 0.000 0.000 0.208 160 G HA3 0.487 4.447 3.960 0.000 0.000 0.208 160 G C 0.465 175.383 174.900 0.031 0.000 1.169 160 G CA 0.004 45.121 45.100 0.029 0.000 0.788 160 G HN 0.855 nan 8.290 nan 0.000 0.533 161 A N 0.424 123.276 122.820 0.053 0.000 2.363 161 A HA 0.576 4.896 4.320 0.000 0.000 0.270 161 A C 1.205 178.841 177.584 0.086 0.000 1.121 161 A CA -0.506 51.578 52.037 0.078 0.000 0.800 161 A CB 0.590 19.636 19.000 0.078 0.000 1.052 161 A HN 0.049 nan 8.150 nan 0.000 0.493 162 I N 1.063 121.708 120.570 0.125 0.000 2.333 162 I HA 0.035 4.205 4.170 0.000 0.000 0.246 162 I C 1.485 177.655 176.117 0.088 0.000 1.106 162 I CA 1.788 63.148 61.300 0.100 0.000 1.411 162 I CB -1.414 36.626 38.000 0.065 0.000 1.082 162 I HN 0.677 nan 8.210 nan 0.000 0.420 163 A N 1.221 124.076 122.820 0.059 0.000 2.437 163 A HA 0.794 5.114 4.320 0.000 0.000 0.292 163 A C -0.158 177.409 177.584 -0.029 0.000 1.173 163 A CA -0.619 51.409 52.037 -0.015 0.000 0.785 163 A CB 1.569 20.495 19.000 -0.123 0.000 1.351 163 A HN 0.284 nan 8.150 nan 0.000 0.431 164 R N -0.542 119.935 120.500 -0.038 0.000 2.795 164 R HA 0.720 5.060 4.340 0.000 0.000 0.275 164 R C -1.819 174.450 176.300 -0.052 0.000 0.981 164 R CA -0.736 55.334 56.100 -0.050 0.000 0.917 164 R CB 1.520 31.795 30.300 -0.042 0.000 1.202 164 R HN 0.281 nan 8.270 nan 0.000 0.469 165 V N 2.656 122.532 119.914 -0.064 0.000 2.385 165 V HA 0.350 4.470 4.120 0.000 0.000 0.269 165 V C -0.106 175.977 176.094 -0.018 0.000 1.043 165 V CA -0.429 61.837 62.300 -0.057 0.000 0.906 165 V CB 1.034 32.808 31.823 -0.082 0.000 0.995 165 V HN 0.619 nan 8.190 nan 0.000 0.467 166 V N 1.762 121.697 119.914 0.036 0.000 2.760 166 V HA 0.774 4.894 4.120 0.000 0.000 0.309 166 V C -1.212 174.963 176.094 0.136 0.000 1.077 166 V CA -0.911 61.430 62.300 0.069 0.000 0.910 166 V CB 2.141 34.006 31.823 0.071 0.000 1.008 166 V HN 0.754 nan 8.190 nan 0.000 0.424 167 D N 1.875 122.330 120.400 0.091 0.000 2.619 167 D HA 0.826 5.466 4.640 0.000 0.000 0.241 167 D C 0.177 176.534 176.300 0.094 0.000 1.087 167 D CA 0.582 54.647 54.000 0.109 0.000 0.851 167 D CB 1.843 42.661 40.800 0.030 0.000 1.474 167 D HN 1.464 nan 8.370 nan 0.000 0.478 168 G N -0.584 108.285 108.800 0.115 0.000 2.712 168 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 168 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 168 G C 0.586 175.516 174.900 0.049 0.000 1.181 168 G CA -0.509 44.632 45.100 0.068 0.000 0.762 168 G HN 0.413 nan 8.290 nan 0.000 0.641 169 V N 1.442 121.374 119.914 0.030 0.000 2.295 169 V HA -0.153 3.967 4.120 0.000 0.000 0.246 169 V C 2.655 178.748 176.094 -0.002 0.000 1.049 169 V CA 2.723 65.028 62.300 0.007 0.000 1.024 169 V CB -0.459 31.368 31.823 0.006 0.000 0.648 169 V HN 0.797 nan 8.190 nan 0.000 0.447 170 E N 0.528 120.730 120.200 0.004 0.000 2.204 170 E HA -0.114 4.236 4.350 0.000 0.000 0.194 170 E C 2.303 178.903 176.600 -0.001 0.000 0.989 170 E CA 1.315 57.715 56.400 -0.001 0.000 0.824 170 E CB -0.435 29.266 29.700 0.002 0.000 0.756 170 E HN 0.649 nan 8.360 nan 0.000 0.477 171 G N 1.680 110.485 108.800 0.008 0.000 2.394 171 G HA2 -0.183 3.777 3.960 0.000 0.000 0.215 171 G HA3 -0.183 3.777 3.960 0.000 0.000 0.215 171 G C 1.857 176.760 174.900 0.004 0.000 1.165 171 G CA 1.187 46.293 45.100 0.011 0.000 0.784 171 G HN 0.290 nan 8.290 nan 0.000 0.535 172 V N -1.050 118.863 119.914 -0.001 0.000 2.548 172 V HA 0.081 4.201 4.120 0.000 0.000 0.249 172 V C 2.470 178.533 176.094 -0.051 0.000 1.055 172 V CA 1.870 64.146 62.300 -0.039 0.000 1.065 172 V CB -0.583 31.170 31.823 -0.116 0.000 0.681 172 V HN 0.308 nan 8.190 nan 0.000 0.462 173 R N -0.049 120.428 120.500 -0.039 0.000 2.080 173 R HA -0.135 4.205 4.340 0.000 0.000 0.236 173 R C 2.298 178.581 176.300 -0.028 0.000 1.137 173 R CA 2.205 58.284 56.100 -0.034 0.000 0.943 173 R CB -0.431 29.854 30.300 -0.024 0.000 0.846 173 R HN 0.558 nan 8.270 nan 0.000 0.431 174 L N 0.471 121.681 121.223 -0.021 0.000 2.141 174 L HA 0.019 4.359 4.340 0.000 0.000 0.209 174 L C 2.128 178.985 176.870 -0.021 0.000 1.094 174 L CA 1.959 56.787 54.840 -0.018 0.000 0.763 174 L CB -0.487 41.564 42.059 -0.013 0.000 0.908 174 L HN 0.222 nan 8.230 nan 0.000 0.437 175 A N -1.041 121.766 122.820 -0.022 0.000 1.898 175 A HA -0.114 4.206 4.320 0.000 0.000 0.216 175 A C 2.227 179.794 177.584 -0.028 0.000 1.181 175 A CA 1.858 53.881 52.037 -0.023 0.000 0.620 175 A CB -1.013 17.977 19.000 -0.016 0.000 0.819 175 A HN 0.290 nan 8.150 nan 0.000 0.442 176 V N 0.064 119.955 119.914 -0.037 0.000 2.295 176 V HA -0.270 3.850 4.120 0.000 0.000 0.246 176 V C 2.618 178.691 176.094 -0.036 0.000 1.049 176 V CA 2.252 64.527 62.300 -0.042 0.000 1.024 176 V CB -0.842 30.950 31.823 -0.051 0.000 0.648 176 V HN 0.531 nan 8.190 nan 0.000 0.447 177 R N -0.177 120.303 120.500 -0.032 0.000 2.096 177 R HA -0.171 4.169 4.340 0.000 0.000 0.235 177 R C 2.315 178.596 176.300 -0.032 0.000 1.127 177 R CA 1.609 57.691 56.100 -0.030 0.000 0.968 177 R CB -0.291 29.993 30.300 -0.026 0.000 0.861 177 R HN 0.609 nan 8.270 nan 0.000 0.440 178 E N 0.416 120.599 120.200 -0.028 0.000 2.031 178 E HA -0.181 4.169 4.350 0.000 0.000 0.193 178 E C 1.895 178.478 176.600 -0.029 0.000 0.994 178 E CA 1.044 57.428 56.400 -0.027 0.000 0.800 178 E CB 0.101 29.788 29.700 -0.020 0.000 0.752 178 E HN 0.229 nan 8.360 nan 0.000 0.447 179 E N 0.259 120.444 120.200 -0.025 0.000 2.204 179 E HA -0.132 4.218 4.350 0.000 0.000 0.194 179 E C 2.037 178.622 176.600 -0.026 0.000 0.989 179 E CA 0.610 56.998 56.400 -0.019 0.000 0.824 179 E CB -0.034 29.656 29.700 -0.015 0.000 0.756 179 E HN 0.339 nan 8.360 nan 0.000 0.477 180 I N 1.132 121.681 120.570 -0.035 0.000 2.333 180 I HA -0.285 3.885 4.170 0.000 0.000 0.246 180 I C 2.580 178.659 176.117 -0.063 0.000 1.106 180 I CA 1.082 62.359 61.300 -0.039 0.000 1.411 180 I CB -0.013 37.966 38.000 -0.036 0.000 1.082 180 I HN 0.038 nan 8.210 nan 0.000 0.420 181 Q N 1.171 120.927 119.800 -0.073 0.000 2.224 181 Q HA -0.180 4.160 4.340 0.000 0.000 0.203 181 Q C 1.803 177.704 176.000 -0.166 0.000 0.970 181 Q CA 1.602 57.338 55.803 -0.112 0.000 0.865 181 Q CB -0.414 28.270 28.738 -0.090 0.000 0.922 181 Q HN 0.273 nan 8.270 nan 0.000 0.445 182 K N -0.262 120.070 120.400 -0.113 0.000 2.442 182 K HA 0.054 4.374 4.320 0.000 0.000 0.198 182 K C 0.531 177.056 176.600 -0.125 0.000 1.042 182 K CA 0.650 56.873 56.287 -0.107 0.000 0.958 182 K CB -0.111 32.376 32.500 -0.022 0.000 0.766 182 K HN 0.532 nan 8.250 nan 0.000 0.474 183 G N 0.454 109.184 108.800 -0.115 0.000 2.141 183 G HA2 -0.206 3.754 3.960 0.000 0.000 0.195 183 G HA3 -0.206 3.754 3.960 0.000 0.000 0.195 183 G C -0.030 174.954 174.900 0.140 0.000 1.012 183 G CA -0.146 44.929 45.100 -0.041 0.000 0.696 183 G HN 0.402 nan 8.290 nan 0.000 0.508 184 A N 0.214 123.076 122.820 0.069 0.000 2.401 184 A HA 0.709 5.029 4.320 0.000 0.000 0.259 184 A C 1.624 179.241 177.584 0.055 0.000 1.103 184 A CA 1.181 53.258 52.037 0.067 0.000 0.789 184 A CB 0.377 19.390 19.000 0.022 0.000 1.035 184 A HN 1.422 nan 8.150 nan 0.000 0.491 185 T N -0.703 113.898 114.554 0.079 0.000 3.043 185 T HA 0.143 4.494 4.350 0.000 0.000 0.263 185 T C 0.579 175.247 174.700 -0.054 0.000 1.094 185 T CA 0.975 63.126 62.100 0.085 0.000 1.127 185 T CB -0.156 68.860 68.868 0.246 0.000 0.905 185 T HN 0.924 nan 8.240 nan 0.000 0.490 186 Q N -0.027 119.688 119.800 -0.142 0.000 2.590 186 Q HA 0.490 4.830 4.340 0.000 0.000 0.295 186 Q C -1.676 174.171 176.000 -0.255 0.000 0.973 186 Q CA -1.037 54.533 55.803 -0.387 0.000 0.768 186 Q CB 1.079 29.323 28.738 -0.823 0.000 1.479 186 Q HN 0.149 nan 8.270 nan 0.000 0.419 190 M N 3.005 122.773 119.600 0.281 0.000 2.066 190 M HA 0.520 5.000 4.480 0.000 0.000 0.340 190 M C 0.430 176.927 176.300 0.329 0.000 1.053 190 M CA -0.342 55.132 55.300 0.290 0.000 0.983 190 M CB 0.791 33.499 32.600 0.180 0.000 1.520 190 M HN 0.914 nan 8.290 nan 0.000 0.428 191 A N 2.389 125.391 122.820 0.303 0.000 2.348 191 A HA 0.374 4.694 4.320 0.000 0.000 0.224 191 A C 0.811 178.507 177.584 0.187 0.000 1.227 191 A CA 0.461 52.638 52.037 0.234 0.000 0.885 191 A CB 0.281 19.378 19.000 0.162 0.000 0.933 191 A HN 0.787 nan 8.150 nan 0.000 0.506 192 S N -2.127 113.717 115.700 0.238 0.000 2.688 192 S HA 0.656 5.126 4.470 0.000 0.000 0.275 192 S C 0.101 174.823 174.600 0.205 0.000 1.175 192 S CA -0.145 58.165 58.200 0.185 0.000 0.818 192 S CB 0.631 63.916 63.200 0.143 0.000 1.157 192 S HN 0.902 nan 8.310 nan 0.000 0.482 193 G N -0.727 108.152 108.800 0.131 0.000 2.444 193 G HA2 0.578 4.538 3.960 0.000 0.000 0.268 193 G HA3 0.578 4.538 3.960 0.000 0.000 0.268 193 G C 0.272 175.210 174.900 0.063 0.000 1.203 193 G CA -0.138 44.995 45.100 0.055 0.000 0.835 193 G HN 1.084 nan 8.290 nan 0.000 0.543 194 G N -0.850 107.757 108.800 -0.321 0.000 3.211 194 G HA2 0.431 4.391 3.960 0.000 0.000 0.167 194 G HA3 0.431 4.391 3.960 0.000 0.000 0.167 194 G C 0.510 175.402 174.900 -0.015 0.000 1.212 194 G CA 0.226 45.186 45.100 -0.235 0.000 0.928 194 G HN 0.556 nan 8.290 nan 0.000 0.607 195 V N 0.450 120.483 119.914 0.198 0.000 2.581 195 V HA 0.232 4.352 4.120 0.000 0.000 0.240 195 V C 2.608 178.858 176.094 0.261 0.000 1.054 195 V CA 1.565 63.982 62.300 0.196 0.000 1.076 195 V CB 0.188 32.133 31.823 0.204 0.000 0.748 195 V HN 0.716 nan 8.190 nan 0.000 0.474 196 A N 0.816 123.875 122.820 0.399 0.000 2.327 196 A HA 0.366 4.687 4.320 0.000 0.000 0.228 196 A C 0.903 178.665 177.584 0.297 0.000 1.275 196 A CA 0.508 52.701 52.037 0.261 0.000 0.875 196 A CB -0.471 18.632 19.000 0.173 0.000 0.925 196 A HN 0.562 nan 8.150 nan 0.000 0.493 197 S N -1.165 114.743 115.700 0.347 0.000 2.536 197 S HA 0.621 5.091 4.470 0.000 0.000 0.298 197 S C -1.999 172.723 174.600 0.202 0.000 1.083 197 S CA -1.263 57.125 58.200 0.315 0.000 0.995 197 S CB 2.113 65.463 63.200 0.251 0.000 1.058 197 S HN 0.069 nan 8.310 nan 0.000 0.488 198 P HA -0.018 nan 4.420 nan 0.000 0.217 198 P C 1.258 178.600 177.300 0.070 0.000 1.154 198 P CA 1.416 64.578 63.100 0.102 0.000 0.841 198 P CB -0.433 31.323 31.700 0.093 0.000 0.788 199 T N -2.777 111.811 114.554 0.057 0.000 3.065 199 T HA 0.041 4.391 4.350 0.000 0.000 0.252 199 T C 0.512 175.227 174.700 0.026 0.000 1.099 199 T CA -0.167 61.951 62.100 0.030 0.000 1.063 199 T CB -0.506 68.368 68.868 0.010 0.000 0.948 199 T HN 0.214 nan 8.240 nan 0.000 0.506 200 D N 1.480 121.906 120.400 0.044 0.000 2.375 200 D HA 0.416 5.057 4.640 0.000 0.000 0.247 200 D C -3.289 173.031 176.300 0.034 0.000 1.061 200 D CA -2.207 51.814 54.000 0.035 0.000 0.834 200 D CB 2.257 43.082 40.800 0.041 0.000 1.247 200 D HN 0.020 nan 8.370 nan 0.000 0.489 201 P HA 0.132 nan 4.420 nan 0.000 0.274 201 P C 1.234 178.532 177.300 -0.002 0.000 1.237 201 P CA -0.701 62.400 63.100 0.001 0.000 0.793 201 P CB 1.282 32.979 31.700 -0.005 0.000 0.977 202 I N 0.765 121.316 120.570 -0.032 0.000 2.315 202 I HA -0.218 3.952 4.170 0.000 0.000 0.248 202 I C 1.535 177.647 176.117 -0.009 0.000 1.117 202 I CA 1.870 63.140 61.300 -0.049 0.000 1.404 202 I CB -0.591 37.298 38.000 -0.184 0.000 1.071 202 I HN 0.288 nan 8.210 nan 0.000 0.419 203 A N 2.002 124.810 122.820 -0.021 0.000 2.019 203 A HA -0.148 4.172 4.320 0.000 0.000 0.219 203 A C 1.076 178.669 177.584 0.014 0.000 1.164 203 A CA 1.182 53.215 52.037 -0.008 0.000 0.644 203 A CB -0.910 18.079 19.000 -0.018 0.000 0.805 203 A HN 0.795 nan 8.150 nan 0.000 0.449 204 N N -0.041 118.671 118.700 0.020 0.000 2.482 204 N HA 0.339 5.079 4.740 0.000 0.000 0.279 204 N C -0.348 175.187 175.510 0.041 0.000 1.182 204 N CA 0.176 53.241 53.050 0.025 0.000 0.969 204 N CB 0.749 39.244 38.487 0.014 0.000 1.201 204 N HN 0.169 nan 8.380 nan 0.000 0.523 205 T N -2.092 112.485 114.554 0.039 0.000 2.922 205 T HA 0.299 4.649 4.350 0.000 0.000 0.285 205 T C -0.234 174.492 174.700 0.044 0.000 1.005 205 T CA -0.675 61.457 62.100 0.054 0.000 1.061 205 T CB 1.448 70.347 68.868 0.052 0.000 1.007 205 T HN 0.545 nan 8.240 nan 0.000 0.502 206 Q N 0.500 120.339 119.800 0.065 0.000 2.394 206 Q HA 0.519 4.859 4.340 0.000 0.000 0.273 206 Q C -1.559 174.508 176.000 0.111 0.000 1.089 206 Q CA -0.962 54.851 55.803 0.018 0.000 0.812 206 Q CB 2.155 30.883 28.738 -0.017 0.000 1.353 206 Q HN 0.834 nan 8.270 nan 0.000 0.438 207 Y N -0.551 119.766 120.300 0.028 0.000 2.554 207 Y HA -0.291 4.259 4.550 0.000 0.000 0.023 207 Y C 0.186 176.096 175.900 0.017 0.000 1.752 207 Y CA 0.167 58.279 58.100 0.020 0.000 1.386 207 Y CB -0.345 38.129 38.460 0.023 0.000 2.034 207 Y HN 0.755 nan 8.280 nan 0.000 0.261 208 S N 1.957 117.791 115.700 0.225 0.000 2.593 208 S HA 0.171 4.641 4.470 0.000 0.000 0.269 208 S C 0.856 175.512 174.600 0.093 0.000 1.334 208 S CA -0.083 58.190 58.200 0.121 0.000 1.015 208 S CB 1.559 64.814 63.200 0.092 0.000 0.912 208 S HN 0.715 nan 8.310 nan 0.000 0.541 209 E N 0.677 120.911 120.200 0.056 0.000 2.153 209 E HA -0.161 4.189 4.350 0.000 0.000 0.194 209 E C 1.045 177.655 176.600 0.016 0.000 0.988 209 E CA 1.372 57.791 56.400 0.031 0.000 0.811 209 E CB -0.156 29.558 29.700 0.024 0.000 0.746 209 E HN 0.677 nan 8.360 nan 0.000 0.466 210 D N 0.727 121.140 120.400 0.022 0.000 2.144 210 D HA -0.135 4.505 4.640 0.000 0.000 0.200 210 D C 1.667 177.965 176.300 -0.003 0.000 0.978 210 D CA 0.954 54.961 54.000 0.011 0.000 0.833 210 D CB -0.126 40.685 40.800 0.018 0.000 0.961 210 D HN 0.260 nan 8.370 nan 0.000 0.470 211 E N 0.221 120.424 120.200 0.005 0.000 2.028 211 E HA -0.056 4.294 4.350 0.000 0.000 0.190 211 E C 2.371 178.887 176.600 -0.139 0.000 0.984 211 E CA 0.424 56.794 56.400 -0.050 0.000 0.800 211 E CB 0.021 29.729 29.700 0.014 0.000 0.758 211 E HN 0.248 nan 8.360 nan 0.000 0.448 212 I N 0.814 121.314 120.570 -0.116 0.000 2.163 212 I HA -0.295 3.876 4.170 0.000 0.000 0.243 212 I C 2.526 178.593 176.117 -0.084 0.000 1.085 212 I CA 1.188 62.412 61.300 -0.127 0.000 1.347 212 I CB -0.340 37.629 38.000 -0.052 0.000 1.044 212 I HN 0.052 nan 8.210 nan 0.000 0.408 213 R N 0.751 121.221 120.500 -0.050 0.000 2.091 213 R HA -0.155 4.185 4.340 0.000 0.000 0.238 213 R C 2.472 178.749 176.300 -0.038 0.000 1.136 213 R CA 1.551 57.630 56.100 -0.034 0.000 0.959 213 R CB -0.435 29.853 30.300 -0.019 0.000 0.856 213 R HN 0.396 nan 8.270 nan 0.000 0.437 214 A N 1.067 123.859 122.820 -0.047 0.000 1.902 214 A HA -0.141 4.179 4.320 0.000 0.000 0.217 214 A C 2.119 179.667 177.584 -0.060 0.000 1.181 214 A CA 1.177 53.186 52.037 -0.046 0.000 0.623 214 A CB -0.423 18.550 19.000 -0.044 0.000 0.818 214 A HN 0.179 nan 8.150 nan 0.000 0.443 215 I N -0.586 119.929 120.570 -0.092 0.000 2.142 215 I HA -0.232 3.938 4.170 0.000 0.000 0.240 215 I C 2.378 178.457 176.117 -0.063 0.000 1.078 215 I CA 1.264 62.504 61.300 -0.100 0.000 1.343 215 I CB -0.380 37.522 38.000 -0.163 0.000 1.046 215 I HN 0.153 nan 8.210 nan 0.000 0.405 216 V N 0.709 120.593 119.914 -0.050 0.000 2.332 216 V HA -0.318 3.802 4.120 0.000 0.000 0.248 216 V C 2.070 178.158 176.094 -0.010 0.000 1.055 216 V CA 2.070 64.358 62.300 -0.020 0.000 1.038 216 V CB -0.661 31.154 31.823 -0.013 0.000 0.651 216 V HN 0.415 nan 8.190 nan 0.000 0.450 217 D N -0.547 119.844 120.400 -0.015 0.000 2.144 217 D HA -0.126 4.514 4.640 0.000 0.000 0.199 217 D C 2.295 178.589 176.300 -0.010 0.000 0.984 217 D CA 0.935 54.930 54.000 -0.008 0.000 0.834 217 D CB -0.088 40.706 40.800 -0.010 0.000 0.955 217 D HN 0.419 nan 8.370 nan 0.000 0.465 218 E N 0.370 120.558 120.200 -0.020 0.000 2.112 218 E HA 0.015 4.365 4.350 0.000 0.000 0.190 218 E C 2.062 178.649 176.600 -0.022 0.000 0.979 218 E CA 0.515 56.901 56.400 -0.022 0.000 0.814 218 E CB -0.180 29.501 29.700 -0.032 0.000 0.762 218 E HN 0.179 nan 8.360 nan 0.000 0.460 219 A N 1.514 124.318 122.820 -0.026 0.000 1.877 219 A HA -0.188 4.132 4.320 0.000 0.000 0.216 219 A C 2.054 179.636 177.584 -0.003 0.000 1.186 219 A CA 1.424 53.443 52.037 -0.029 0.000 0.620 219 A CB -0.440 18.534 19.000 -0.044 0.000 0.822 219 A HN 0.168 nan 8.150 nan 0.000 0.443 220 E N -0.436 119.773 120.200 0.015 0.000 2.150 220 E HA -0.091 4.259 4.350 0.000 0.000 0.193 220 E C 2.211 178.823 176.600 0.020 0.000 0.985 220 E CA 0.747 57.165 56.400 0.031 0.000 0.814 220 E CB -0.226 29.494 29.700 0.034 0.000 0.752 220 E HN 0.616 nan 8.360 nan 0.000 0.466 221 A N 1.050 123.875 122.820 0.008 0.000 2.019 221 A HA -0.036 4.284 4.320 0.000 0.000 0.219 221 A C 2.096 179.682 177.584 0.004 0.000 1.164 221 A CA 1.438 53.478 52.037 0.005 0.000 0.644 221 A CB -0.148 18.851 19.000 -0.002 0.000 0.805 221 A HN 0.231 nan 8.150 nan 0.000 0.449 222 A N -0.934 121.887 122.820 0.001 0.000 2.415 222 A HA 0.336 4.656 4.320 0.000 0.000 0.248 222 A C 0.577 178.169 177.584 0.013 0.000 1.299 222 A CA 0.145 52.183 52.037 0.001 0.000 0.899 222 A CB -0.391 18.603 19.000 -0.010 0.000 0.997 222 A HN 0.436 nan 8.150 nan 0.000 0.506 223 N N -0.250 118.464 118.700 0.023 0.000 2.725 223 N HA -0.141 4.599 4.740 0.000 0.000 0.249 223 N C 0.253 175.798 175.510 0.058 0.000 1.103 223 N CA 1.595 54.668 53.050 0.040 0.000 0.707 223 N CB -1.515 36.994 38.487 0.037 0.000 1.043 223 N HN 0.655 nan 8.380 nan 0.000 0.553 224 T N -1.677 112.907 114.554 0.050 0.000 2.619 224 T HA 0.729 5.079 4.350 0.000 0.000 0.244 224 T C -0.877 173.899 174.700 0.128 0.000 0.893 224 T CA -0.098 62.043 62.100 0.068 0.000 1.093 224 T CB 1.072 69.904 68.868 -0.059 0.000 1.567 224 T HN 0.214 nan 8.240 nan 0.000 0.549 225 Y N -1.612 118.685 120.300 -0.005 0.000 2.818 225 Y HA 0.823 5.374 4.550 0.000 0.000 0.322 225 Y C -1.610 174.287 175.900 -0.005 0.000 1.323 225 Y CA -1.296 56.802 58.100 -0.003 0.000 1.090 225 Y CB 0.723 39.182 38.460 -0.003 0.000 1.328 225 Y HN 0.310 nan 8.280 nan 0.000 0.482 226 V N 3.596 123.617 119.914 0.179 0.000 2.448 226 V HA 0.403 4.523 4.120 0.000 0.000 0.295 226 V C -0.148 176.075 176.094 0.215 0.000 1.025 226 V CA -0.882 61.462 62.300 0.073 0.000 0.859 226 V CB 1.371 33.216 31.823 0.037 0.000 0.988 226 V HN 0.811 nan 8.190 nan 0.000 0.431 227 M N 3.611 123.294 119.600 0.139 0.000 2.264 227 M HA 0.931 5.411 4.480 0.000 0.000 0.352 227 M C -0.380 175.994 176.300 0.122 0.000 1.173 227 M CA -0.313 55.089 55.300 0.171 0.000 1.075 227 M CB 1.624 34.332 32.600 0.180 0.000 1.621 227 M HN 0.568 nan 8.290 nan 0.000 0.457 228 A N 1.626 124.514 122.820 0.115 0.000 2.374 228 A HA 0.483 4.803 4.320 0.000 0.000 0.305 228 A C -1.469 176.196 177.584 0.135 0.000 1.053 228 A CA -0.678 51.434 52.037 0.126 0.000 0.726 228 A CB 0.723 19.778 19.000 0.091 0.000 1.229 228 A HN 0.995 nan 8.150 nan 0.000 0.431 229 H N 1.874 121.012 119.070 0.113 0.000 2.878 229 H HA 0.596 5.152 4.556 0.000 0.000 0.290 229 H C -0.100 175.251 175.328 0.038 0.000 1.065 229 H CA 0.879 57.000 56.048 0.123 0.000 1.477 229 H CB 0.489 30.398 29.762 0.245 0.000 1.484 229 H HN 0.922 nan 8.280 nan 0.000 0.504 230 A N 4.970 127.562 122.820 -0.380 0.000 2.488 230 A HA 0.332 4.652 4.320 0.000 0.000 0.295 230 A C -1.399 175.962 177.584 -0.372 0.000 1.045 230 A CA -0.706 51.167 52.037 -0.273 0.000 0.703 230 A CB 0.507 19.470 19.000 -0.061 0.000 1.271 230 A HN 0.714 nan 8.150 nan 0.000 0.400 231 Y N 1.132 121.357 120.300 -0.124 0.000 2.447 231 Y HA 0.145 4.695 4.550 0.000 0.000 0.286 231 Y C 2.007 177.880 175.900 -0.045 0.000 1.153 231 Y CA 1.515 59.557 58.100 -0.097 0.000 1.241 231 Y CB -0.042 38.338 38.460 -0.133 0.000 1.284 231 Y HN 0.704 nan 8.280 nan 0.000 0.520 232 T N -1.315 113.325 114.554 0.143 0.000 2.910 232 T HA 0.331 4.681 4.350 0.000 0.000 0.293 232 T C 1.580 176.313 174.700 0.054 0.000 1.015 232 T CA -0.076 62.067 62.100 0.072 0.000 1.094 232 T CB 1.511 70.408 68.868 0.048 0.000 0.968 232 T HN 0.405 nan 8.240 nan 0.000 0.521 233 G N 1.006 109.829 108.800 0.038 0.000 2.450 233 G HA2 -0.235 3.725 3.960 0.000 0.000 0.220 233 G HA3 -0.235 3.725 3.960 0.000 0.000 0.220 233 G C 1.486 176.406 174.900 0.034 0.000 1.130 233 G CA 0.661 45.782 45.100 0.036 0.000 0.760 233 G HN 0.847 nan 8.290 nan 0.000 0.557 234 R N 0.612 121.129 120.500 0.028 0.000 2.082 234 R HA -0.053 4.287 4.340 0.000 0.000 0.234 234 R C 2.811 179.131 176.300 0.034 0.000 1.136 234 R CA 1.744 57.860 56.100 0.028 0.000 0.935 234 R CB -0.523 29.790 30.300 0.023 0.000 0.842 234 R HN 0.263 nan 8.270 nan 0.000 0.430 235 A N 0.673 123.518 122.820 0.041 0.000 1.969 235 A HA -0.079 4.241 4.320 0.000 0.000 0.218 235 A C 2.156 179.764 177.584 0.041 0.000 1.169 235 A CA 1.196 53.261 52.037 0.047 0.000 0.635 235 A CB -0.360 18.675 19.000 0.058 0.000 0.810 235 A HN 0.395 nan 8.150 nan 0.000 0.445 236 I N -0.372 120.221 120.570 0.038 0.000 2.193 236 I HA -0.217 3.953 4.170 0.000 0.000 0.240 236 I C 3.000 179.133 176.117 0.027 0.000 1.084 236 I CA 0.963 62.284 61.300 0.035 0.000 1.365 236 I CB -0.444 37.589 38.000 0.054 0.000 1.064 236 I HN 0.317 nan 8.210 nan 0.000 0.410 237 A N 1.893 124.732 122.820 0.032 0.000 1.903 237 A HA -0.304 4.016 4.320 0.000 0.000 0.219 237 A C 2.319 179.906 177.584 0.006 0.000 1.191 237 A CA 2.665 54.718 52.037 0.027 0.000 0.638 237 A CB -0.872 18.149 19.000 0.035 0.000 0.823 237 A HN 0.520 nan 8.150 nan 0.000 0.451 238 R N -0.082 120.425 120.500 0.012 0.000 2.081 238 R HA 0.083 4.423 4.340 0.000 0.000 0.235 238 R C 2.246 178.538 176.300 -0.013 0.000 1.131 238 R CA 1.601 57.704 56.100 0.005 0.000 0.960 238 R CB -0.955 29.358 30.300 0.022 0.000 0.856 238 R HN 0.355 nan 8.270 nan 0.000 0.436 239 A N 1.378 124.197 122.820 -0.002 0.000 1.902 239 A HA -0.079 4.241 4.320 0.000 0.000 0.217 239 A C 2.460 180.011 177.584 -0.055 0.000 1.181 239 A CA 1.661 53.694 52.037 -0.008 0.000 0.623 239 A CB -0.641 18.370 19.000 0.019 0.000 0.818 239 A HN 0.169 nan 8.150 nan 0.000 0.443 240 V N -0.276 119.590 119.914 -0.080 0.000 2.343 240 V HA -0.227 3.893 4.120 0.000 0.000 0.247 240 V C 2.574 178.432 176.094 -0.393 0.000 1.051 240 V CA 2.182 64.375 62.300 -0.177 0.000 1.036 240 V CB -0.754 31.003 31.823 -0.109 0.000 0.654 240 V HN 0.512 nan 8.190 nan 0.000 0.451 241 R N -1.257 119.072 120.500 -0.285 0.000 2.189 241 R HA -0.074 4.266 4.340 0.000 0.000 0.218 241 R C 2.144 178.354 176.300 -0.150 0.000 1.074 241 R CA 1.294 57.236 56.100 -0.264 0.000 0.991 241 R CB -0.391 29.866 30.300 -0.072 0.000 0.883 241 R HN 0.473 nan 8.270 nan 0.000 0.457 242 C N -1.148 118.089 119.300 -0.106 0.000 2.495 242 C HA 0.188 4.648 4.460 0.000 0.000 0.275 242 C C 1.460 176.413 174.990 -0.063 0.000 1.392 242 C CA 0.840 59.822 59.018 -0.060 0.000 1.766 242 C CB -0.048 27.672 27.740 -0.034 0.000 1.933 242 C HN 0.781 nan 8.230 nan 0.000 0.519 243 G N 0.371 109.112 108.800 -0.098 0.000 2.147 243 G HA2 -0.086 3.874 3.960 0.000 0.000 0.128 243 G HA3 -0.086 3.874 3.960 0.000 0.000 0.128 243 G C 0.020 174.907 174.900 -0.021 0.000 1.026 243 G CA 0.114 45.173 45.100 -0.068 0.000 0.693 243 G HN 0.795 nan 8.290 nan 0.000 0.499 244 V N -1.446 118.456 119.914 -0.020 0.000 2.811 244 V HA 0.680 4.800 4.120 0.000 0.000 0.302 244 V C 1.465 177.592 176.094 0.054 0.000 1.063 244 V CA 0.552 62.874 62.300 0.036 0.000 1.088 244 V CB 1.523 33.370 31.823 0.040 0.000 0.982 244 V HN 0.370 nan 8.190 nan 0.000 0.485 245 R N 1.866 122.437 120.500 0.118 0.000 2.105 245 R HA 0.156 4.496 4.340 0.000 0.000 0.214 245 R C 0.958 177.341 176.300 0.139 0.000 1.091 245 R CA 1.047 57.212 56.100 0.108 0.000 1.007 245 R CB 0.141 30.470 30.300 0.048 0.000 0.912 245 R HN 1.015 nan 8.270 nan 0.000 0.450 246 T N -1.438 113.194 114.554 0.130 0.000 2.887 246 T HA 0.518 4.868 4.350 0.000 0.000 0.288 246 T C -0.399 174.340 174.700 0.064 0.000 1.021 246 T CA -0.910 61.256 62.100 0.110 0.000 1.000 246 T CB 1.856 70.757 68.868 0.056 0.000 1.034 246 T HN -0.104 nan 8.240 nan 0.000 0.467 247 I N 2.516 123.089 120.570 0.004 0.000 2.406 247 I HA 0.402 4.572 4.170 0.000 0.000 0.290 247 I C -0.101 175.940 176.117 -0.127 0.000 0.999 247 I CA -0.795 60.478 61.300 -0.044 0.000 1.124 247 I CB 1.944 39.912 38.000 -0.053 0.000 1.289 247 I HN 0.757 nan 8.210 nan 0.000 0.441 248 E N 6.380 126.476 120.200 -0.174 0.000 2.301 248 E HA 0.290 4.640 4.350 0.000 0.000 0.275 248 E C 0.592 176.886 176.600 -0.510 0.000 1.030 248 E CA -0.187 55.940 56.400 -0.455 0.000 0.852 248 E CB 0.772 30.175 29.700 -0.496 0.000 1.060 248 E HN 0.537 nan 8.360 nan 0.000 0.401 249 H N 1.911 120.813 119.070 -0.280 0.000 1.885 249 H HA -0.298 4.258 4.556 0.000 0.000 0.090 249 H C 1.024 176.308 175.328 -0.072 0.000 0.597 249 H CA 1.433 57.376 56.048 -0.175 0.000 1.852 249 H CB -1.459 28.103 29.762 -0.334 0.000 2.184 249 H HN 0.851 nan 8.280 nan 0.000 0.953 250 G N 1.897 110.705 108.800 0.013 0.000 2.246 250 G HA2 -0.343 3.617 3.960 0.000 0.000 0.273 250 G HA3 -0.343 3.617 3.960 0.000 0.000 0.273 250 G C 0.553 175.594 174.900 0.236 0.000 1.055 250 G CA 1.089 46.273 45.100 0.140 0.000 0.851 250 G HN 0.647 nan 8.290 nan 0.000 0.500 251 N N -0.530 118.315 118.700 0.241 0.000 2.381 251 N HA 0.073 4.813 4.740 0.000 0.000 0.182 251 N C 1.125 176.660 175.510 0.042 0.000 1.025 251 N CA 1.011 54.145 53.050 0.139 0.000 0.888 251 N CB 0.015 38.541 38.487 0.064 0.000 0.965 251 N HN 0.602 nan 8.380 nan 0.000 0.438 252 L N 0.864 122.130 121.223 0.070 0.000 2.502 252 L HA 0.417 4.757 4.340 0.000 0.000 0.247 252 L C -0.868 176.000 176.870 -0.003 0.000 1.180 252 L CA -0.750 54.090 54.840 0.000 0.000 0.956 252 L CB 0.590 42.642 42.059 -0.010 0.000 1.282 252 L HN -0.192 nan 8.230 nan 0.000 0.470 253 V N -1.742 118.138 119.914 -0.056 0.000 2.612 253 V HA 0.555 4.675 4.120 0.000 0.000 0.301 253 V C -0.288 175.756 176.094 -0.085 0.000 1.046 253 V CA -0.835 61.424 62.300 -0.069 0.000 0.946 253 V CB 1.726 33.450 31.823 -0.164 0.000 1.003 253 V HN 0.600 nan 8.190 nan 0.000 0.459 254 D N 1.429 121.800 120.400 -0.048 0.000 2.181 254 D HA 0.303 4.943 4.640 0.000 0.000 0.248 254 D C 0.850 177.123 176.300 -0.045 0.000 1.020 254 D CA -0.657 53.315 54.000 -0.046 0.000 0.891 254 D CB 1.217 42.003 40.800 -0.023 0.000 1.187 254 D HN 0.700 nan 8.370 nan 0.000 0.443 255 E N 1.127 121.297 120.200 -0.050 0.000 2.472 255 E HA -0.195 4.155 4.350 0.000 0.000 0.200 255 E C 1.235 177.827 176.600 -0.015 0.000 1.046 255 E CA 0.605 56.979 56.400 -0.042 0.000 0.871 255 E CB -0.157 29.514 29.700 -0.048 0.000 0.806 255 E HN 0.534 nan 8.360 nan 0.000 0.533 256 A N 1.708 124.525 122.820 -0.005 0.000 1.874 256 A HA 0.237 4.557 4.320 0.000 0.000 0.214 256 A C 2.474 180.077 177.584 0.032 0.000 1.189 256 A CA 1.415 53.459 52.037 0.011 0.000 0.615 256 A CB -0.553 18.453 19.000 0.009 0.000 0.830 256 A HN 0.380 nan 8.150 nan 0.000 0.443 257 A N -0.120 122.721 122.820 0.035 0.000 1.930 257 A HA 0.247 4.568 4.320 0.000 0.000 0.217 257 A C 2.422 180.063 177.584 0.094 0.000 1.175 257 A CA 1.783 53.856 52.037 0.061 0.000 0.627 257 A CB -0.846 18.187 19.000 0.055 0.000 0.815 257 A HN 0.971 nan 8.150 nan 0.000 0.443 258 A N -0.387 122.487 122.820 0.090 0.000 1.969 258 A HA -0.126 4.194 4.320 0.000 0.000 0.218 258 A C 2.109 179.769 177.584 0.126 0.000 1.169 258 A CA 1.826 53.952 52.037 0.148 0.000 0.635 258 A CB -0.363 18.688 19.000 0.085 0.000 0.810 258 A HN 0.508 nan 8.150 nan 0.000 0.445 259 K N -0.931 119.515 120.400 0.076 0.000 2.097 259 K HA -0.057 4.263 4.320 0.000 0.000 0.205 259 K C 1.873 178.540 176.600 0.111 0.000 1.050 259 K CA 1.204 57.531 56.287 0.067 0.000 0.938 259 K CB -0.225 32.288 32.500 0.022 0.000 0.718 259 K HN 0.380 nan 8.250 nan 0.000 0.442 260 L N 1.053 122.341 121.223 0.109 0.000 2.083 260 L HA -0.123 4.217 4.340 0.000 0.000 0.209 260 L C 2.091 179.081 176.870 0.199 0.000 1.083 260 L CA 1.491 56.420 54.840 0.148 0.000 0.752 260 L CB -0.184 41.965 42.059 0.150 0.000 0.899 260 L HN 0.236 nan 8.230 nan 0.000 0.433 261 M N -1.486 118.204 119.600 0.151 0.000 2.108 261 M HA -0.274 4.206 4.480 0.000 0.000 0.261 261 M C 2.327 178.669 176.300 0.070 0.000 1.066 261 M CA 2.021 57.386 55.300 0.109 0.000 1.107 261 M CB -0.502 32.150 32.600 0.087 0.000 1.356 261 M HN 0.484 nan 8.290 nan 0.000 0.406 262 H N 0.192 119.260 119.070 -0.003 0.000 2.352 262 H HA -0.154 4.402 4.556 0.000 0.000 0.299 262 H C 1.658 176.947 175.328 -0.066 0.000 1.097 262 H CA 2.258 58.276 56.048 -0.049 0.000 1.311 262 H CB 0.114 29.858 29.762 -0.029 0.000 1.377 262 H HN 0.422 nan 8.280 nan 0.000 0.504 263 E N -1.244 118.936 120.200 -0.034 0.000 2.216 263 E HA -0.098 4.252 4.350 0.000 0.000 0.192 263 E C 1.452 177.902 176.600 -0.250 0.000 0.988 263 E CA 0.852 57.160 56.400 -0.154 0.000 0.834 263 E CB 0.105 29.735 29.700 -0.116 0.000 0.772 263 E HN 0.703 nan 8.360 nan 0.000 0.479 264 H N -0.953 118.064 119.070 -0.087 0.000 2.548 264 H HA 0.165 4.721 4.556 0.000 0.000 0.265 264 H C 0.955 176.203 175.328 -0.133 0.000 0.969 264 H CA 0.501 56.500 56.048 -0.083 0.000 1.155 264 H CB 0.746 30.482 29.762 -0.045 0.000 1.394 264 H HN 0.253 nan 8.280 nan 0.000 0.570 265 G N 0.379 109.100 108.800 -0.132 0.000 2.198 265 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 265 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 265 G C 0.176 174.872 174.900 -0.340 0.000 1.042 265 G CA 0.130 45.067 45.100 -0.272 0.000 0.791 265 G HN 0.640 nan 8.290 nan 0.000 0.502 266 A N -0.501 122.186 122.820 -0.222 0.000 2.327 266 A HA 0.809 5.129 4.320 0.000 0.000 0.283 266 A C 0.086 177.498 177.584 -0.287 0.000 1.127 266 A CA -0.316 51.623 52.037 -0.163 0.000 0.810 266 A CB 0.513 19.490 19.000 -0.038 0.000 1.066 266 A HN 0.563 nan 8.150 nan 0.000 0.492 267 F N 0.953 120.834 119.950 -0.114 0.000 2.378 267 F HA 0.529 5.056 4.527 0.000 0.000 0.325 267 F C 0.307 175.994 175.800 -0.188 0.000 1.097 267 F CA -0.365 57.549 58.000 -0.144 0.000 1.079 267 F CB 1.782 40.691 39.000 -0.151 0.000 1.240 267 F HN 0.289 nan 8.300 nan 0.000 0.519 268 V N 2.022 121.895 119.914 -0.069 0.000 2.540 268 V HA 0.442 4.562 4.120 0.000 0.000 0.302 268 V C -0.724 175.268 176.094 -0.171 0.000 1.035 268 V CA -0.903 61.245 62.300 -0.253 0.000 0.873 268 V CB 1.662 33.052 31.823 -0.723 0.000 0.992 268 V HN 0.476 nan 8.190 nan 0.000 0.428 269 V N 5.937 125.748 119.914 -0.173 0.000 2.257 269 V HA 0.331 4.451 4.120 0.000 0.000 0.269 269 V C -2.396 173.571 176.094 -0.212 0.000 1.040 269 V CA -1.774 60.428 62.300 -0.162 0.000 0.813 269 V CB 1.001 32.742 31.823 -0.138 0.000 1.065 269 V HN 0.720 nan 8.190 nan 0.000 0.457 270 P HA 0.241 nan 4.420 nan 0.000 0.272 270 P C 0.420 177.668 177.300 -0.087 0.000 1.223 270 P CA 0.119 63.194 63.100 -0.043 0.000 0.784 270 P CB 0.507 32.223 31.700 0.027 0.000 0.923 271 T N -1.955 112.625 114.554 0.043 0.000 3.697 271 T HA 0.276 4.626 4.350 0.000 0.000 0.260 271 T C 0.987 175.728 174.700 0.069 0.000 0.998 271 T CA -0.400 61.693 62.100 -0.012 0.000 1.128 271 T CB -1.107 67.751 68.868 -0.016 0.000 1.082 271 T HN 0.076 nan 8.240 nan 0.000 0.541 272 L N -0.038 121.250 121.223 0.108 0.000 2.131 272 L HA -0.030 4.310 4.340 0.000 0.000 0.210 272 L C 2.686 179.634 176.870 0.130 0.000 1.092 272 L CA 0.722 55.700 54.840 0.229 0.000 0.759 272 L CB -0.706 41.428 42.059 0.125 0.000 0.903 272 L HN 0.370 nan 8.230 nan 0.000 0.435 273 V N -0.455 119.455 119.914 -0.006 0.000 2.490 273 V HA -0.310 3.810 4.120 0.000 0.000 0.250 273 V C 2.612 178.684 176.094 -0.037 0.000 1.061 273 V CA 2.513 64.805 62.300 -0.012 0.000 1.064 273 V CB -0.105 31.714 31.823 -0.006 0.000 0.670 273 V HN 0.536 nan 8.190 nan 0.000 0.461 274 T N -1.111 113.354 114.554 -0.148 0.000 2.867 274 T HA -0.167 4.183 4.350 0.000 0.000 0.268 274 T C 1.551 176.123 174.700 -0.213 0.000 1.057 274 T CA 1.982 63.951 62.100 -0.219 0.000 1.136 274 T CB -0.274 68.406 68.868 -0.313 0.000 0.874 274 T HN 0.707 nan 8.240 nan 0.000 0.466 275 Y N 1.194 121.527 120.300 0.055 0.000 2.395 275 Y HA 0.104 4.654 4.550 0.000 0.000 0.293 275 Y C 2.338 178.238 175.900 0.000 0.000 1.123 275 Y CA 0.435 58.553 58.100 0.031 0.000 1.227 275 Y CB -0.400 38.076 38.460 0.026 0.000 1.012 275 Y HN 0.228 nan 8.280 nan 0.000 0.552 276 D N -0.000 120.465 120.400 0.108 0.000 2.123 276 D HA -0.097 4.543 4.640 0.000 0.000 0.200 276 D C 2.275 178.553 176.300 -0.036 0.000 0.976 276 D CA 1.348 55.358 54.000 0.016 0.000 0.831 276 D CB -0.437 40.353 40.800 -0.017 0.000 0.974 276 D HN 0.291 nan 8.370 nan 0.000 0.469 277 A N 0.460 123.262 122.820 -0.030 0.000 1.898 277 A HA -0.073 4.247 4.320 0.000 0.000 0.216 277 A C 2.226 179.874 177.584 0.106 0.000 1.181 277 A CA 0.838 52.887 52.037 0.020 0.000 0.620 277 A CB -0.705 18.357 19.000 0.102 0.000 0.819 277 A HN 0.211 nan 8.150 nan 0.000 0.442 278 L N -0.895 120.377 121.223 0.082 0.000 2.395 278 L HA -0.066 4.274 4.340 0.000 0.000 0.218 278 L C 2.901 179.797 176.870 0.044 0.000 1.130 278 L CA 0.584 55.478 54.840 0.091 0.000 0.826 278 L CB -0.385 41.728 42.059 0.091 0.000 0.941 278 L HN 0.441 nan 8.230 nan 0.000 0.451 279 A N 0.281 123.110 122.820 0.015 0.000 1.930 279 A HA -0.173 4.147 4.320 0.000 0.000 0.217 279 A C 2.227 179.752 177.584 -0.098 0.000 1.175 279 A CA 1.597 53.617 52.037 -0.027 0.000 0.627 279 A CB -0.097 18.888 19.000 -0.025 0.000 0.815 279 A HN 0.238 nan 8.150 nan 0.000 0.443 280 K N -1.758 118.533 120.400 -0.183 0.000 2.313 280 K HA 0.155 4.475 4.320 0.000 0.000 0.197 280 K C 1.025 177.319 176.600 -0.511 0.000 1.061 280 K CA 0.834 56.883 56.287 -0.398 0.000 0.980 280 K CB 0.276 32.422 32.500 -0.590 0.000 0.888 280 K HN 0.538 nan 8.250 nan 0.000 0.502 281 H N -1.710 117.347 119.070 -0.021 0.000 2.923 281 H HA 0.296 4.852 4.556 0.000 0.000 0.268 281 H C 1.381 176.708 175.328 -0.001 0.000 1.148 281 H CA 0.352 56.357 56.048 -0.071 0.000 1.146 281 H CB 0.929 30.745 29.762 0.090 0.000 1.607 281 H HN 0.222 nan 8.280 nan 0.000 0.566 282 G N 0.895 109.759 108.800 0.106 0.000 2.404 282 G HA2 -0.164 3.796 3.960 0.000 0.000 0.214 282 G HA3 -0.164 3.796 3.960 0.000 0.000 0.214 282 G C 1.735 176.678 174.900 0.071 0.000 1.189 282 G CA 0.858 46.027 45.100 0.114 0.000 0.789 282 G HN 0.381 nan 8.290 nan 0.000 0.533 283 A N 0.110 122.940 122.820 0.016 0.000 2.119 283 A HA 0.161 4.481 4.320 0.000 0.000 0.217 283 A C 2.024 179.593 177.584 -0.026 0.000 1.153 283 A CA 1.707 53.743 52.037 -0.001 0.000 0.692 283 A CB -0.212 18.778 19.000 -0.017 0.000 0.799 283 A HN 0.462 nan 8.150 nan 0.000 0.458 284 E N -1.623 118.527 120.200 -0.082 0.000 2.230 284 E HA 0.004 4.354 4.350 0.000 0.000 0.192 284 E C 0.175 176.647 176.600 -0.213 0.000 0.987 284 E CA 0.550 56.825 56.400 -0.209 0.000 0.841 284 E CB 0.033 29.511 29.700 -0.370 0.000 0.783 284 E HN 0.564 nan 8.360 nan 0.000 0.481 285 F N -0.808 119.180 119.950 0.063 0.000 2.647 285 F HA 0.359 4.886 4.527 0.000 0.000 0.300 285 F C 1.201 177.011 175.800 0.016 0.000 1.106 285 F CA 0.365 58.389 58.000 0.041 0.000 1.313 285 F CB 1.202 40.231 39.000 0.048 0.000 1.007 285 F HN 0.101 nan 8.300 nan 0.000 0.536 286 G N 0.306 109.200 108.800 0.156 0.000 2.179 286 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 286 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 286 G C 0.385 175.314 174.900 0.049 0.000 0.990 286 G CA -0.120 45.032 45.100 0.086 0.000 0.646 286 G HN 0.276 nan 8.290 nan 0.000 0.517 287 M N 2.104 121.740 119.600 0.059 0.000 2.180 287 M HA 0.478 4.958 4.480 0.000 0.000 0.358 287 M C -1.835 174.480 176.300 0.025 0.000 1.233 287 M CA -1.760 53.558 55.300 0.030 0.000 1.114 287 M CB 0.676 33.303 32.600 0.045 0.000 1.594 287 M HN -0.075 nan 8.290 nan 0.000 0.467 288 P HA -0.054 nan 4.420 nan 0.000 0.263 288 P C -2.375 174.937 177.300 0.021 0.000 1.162 288 P CA -0.506 62.604 63.100 0.016 0.000 0.758 288 P CB -0.263 31.448 31.700 0.019 0.000 0.773 289 P HA -0.138 nan 4.420 nan 0.000 0.226 289 P C 1.157 178.465 177.300 0.013 0.000 1.153 289 P CA 1.175 64.281 63.100 0.012 0.000 0.777 289 P CB -0.047 31.657 31.700 0.006 0.000 0.794 290 E N -1.096 119.115 120.200 0.018 0.000 2.385 290 E HA 0.037 4.388 4.350 0.000 0.000 0.194 290 E C 1.429 178.047 176.600 0.029 0.000 1.013 290 E CA 0.685 57.097 56.400 0.020 0.000 0.866 290 E CB -0.710 29.003 29.700 0.022 0.000 0.832 290 E HN 0.079 nan 8.360 nan 0.000 0.500 291 S N 0.796 116.519 115.700 0.039 0.000 2.377 291 S HA -0.031 4.439 4.470 0.000 0.000 0.223 291 S C 2.026 176.653 174.600 0.046 0.000 1.030 291 S CA 0.979 59.212 58.200 0.056 0.000 0.970 291 S CB 0.001 63.243 63.200 0.069 0.000 0.830 291 S HN 0.188 nan 8.310 nan 0.000 0.473 292 V N 2.089 122.025 119.914 0.035 0.000 2.913 292 V HA -0.069 4.051 4.120 0.000 0.000 0.260 292 V C 2.434 178.534 176.094 0.010 0.000 1.098 292 V CA 1.248 63.564 62.300 0.027 0.000 1.121 292 V CB -1.287 30.547 31.823 0.019 0.000 0.714 292 V HN 0.482 nan 8.190 nan 0.000 0.487 293 A N 0.163 122.986 122.820 0.005 0.000 1.902 293 A HA -0.195 4.125 4.320 0.000 0.000 0.217 293 A C 2.323 179.896 177.584 -0.019 0.000 1.181 293 A CA 1.738 53.770 52.037 -0.008 0.000 0.623 293 A CB -0.356 18.640 19.000 -0.006 0.000 0.818 293 A HN 0.498 nan 8.150 nan 0.000 0.443 294 K N -0.753 119.639 120.400 -0.014 0.000 2.366 294 K HA 0.083 4.403 4.320 0.000 0.000 0.198 294 K C 1.558 178.121 176.600 -0.061 0.000 1.044 294 K CA 0.666 56.927 56.287 -0.043 0.000 0.973 294 K CB -0.008 32.474 32.500 -0.031 0.000 0.767 294 K HN 0.275 nan 8.250 nan 0.000 0.475 295 V N 0.689 120.597 119.914 -0.010 0.000 2.871 295 V HA -0.076 4.044 4.120 0.000 0.000 0.256 295 V C 1.838 177.918 176.094 -0.023 0.000 1.082 295 V CA 1.437 63.752 62.300 0.025 0.000 1.105 295 V CB -0.002 31.881 31.823 0.101 0.000 0.713 295 V HN 0.290 nan 8.190 nan 0.000 0.473 296 A N -0.114 122.680 122.820 -0.043 0.000 2.066 296 A HA -0.089 4.231 4.320 0.000 0.000 0.218 296 A C 2.450 179.979 177.584 -0.091 0.000 1.157 296 A CA 1.680 53.684 52.037 -0.054 0.000 0.670 296 A CB -0.397 18.577 19.000 -0.044 0.000 0.804 296 A HN 0.733 nan 8.150 nan 0.000 0.453 297 S N -0.112 115.511 115.700 -0.127 0.000 2.404 297 S HA -0.073 4.397 4.470 0.000 0.000 0.223 297 S C 1.709 176.182 174.600 -0.211 0.000 1.040 297 S CA 1.116 59.225 58.200 -0.152 0.000 0.957 297 S CB -1.021 62.089 63.200 -0.151 0.000 0.826 297 S HN 0.843 nan 8.310 nan 0.000 0.491 298 V N 1.243 120.967 119.914 -0.318 0.000 3.129 298 V HA -0.004 4.116 4.120 0.000 0.000 0.259 298 V C 2.512 178.350 176.094 -0.426 0.000 1.116 298 V CA 1.037 63.075 62.300 -0.437 0.000 1.127 298 V CB -1.505 29.872 31.823 -0.744 0.000 0.742 298 V HN 0.669 nan 8.190 nan 0.000 0.474 299 Q N 0.028 119.624 119.800 -0.339 0.000 2.230 299 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 299 Q C 2.085 178.015 176.000 -0.117 0.000 0.963 299 Q CA 1.345 57.027 55.803 -0.201 0.000 0.866 299 Q CB -0.487 28.218 28.738 -0.055 0.000 0.931 299 Q HN 0.557 nan 8.270 nan 0.000 0.452 300 Q N 1.467 121.196 119.800 -0.118 0.000 2.002 300 Q HA -0.112 4.228 4.340 0.000 0.000 0.204 300 Q C 1.282 177.236 176.000 -0.078 0.000 0.988 300 Q CA 1.571 57.324 55.803 -0.084 0.000 0.843 300 Q CB -0.141 28.546 28.738 -0.084 0.000 0.908 300 Q HN 0.313 nan 8.270 nan 0.000 0.420 301 K N 0.158 120.500 120.400 -0.097 0.000 2.437 301 K HA 0.130 4.450 4.320 0.000 0.000 0.198 301 K C 1.562 178.117 176.600 -0.075 0.000 1.024 301 K CA 0.381 56.618 56.287 -0.084 0.000 1.148 301 K CB -0.068 32.380 32.500 -0.088 0.000 0.860 301 K HN 0.297 nan 8.250 nan 0.000 0.515 302 G N 0.483 109.240 108.800 -0.073 0.000 2.394 302 G HA2 -0.211 3.749 3.960 0.000 0.000 0.214 302 G HA3 -0.211 3.749 3.960 0.000 0.000 0.214 302 G C 1.488 176.390 174.900 0.004 0.000 1.176 302 G CA 0.230 45.312 45.100 -0.031 0.000 0.786 302 G HN 0.218 nan 8.290 nan 0.000 0.533 303 R N 0.031 120.528 120.500 -0.005 0.000 2.092 303 R HA 0.031 4.371 4.340 0.000 0.000 0.231 303 R C 2.438 178.730 176.300 -0.013 0.000 1.119 303 R CA 1.147 57.249 56.100 0.004 0.000 0.970 303 R CB -0.232 30.070 30.300 0.002 0.000 0.864 303 R HN 0.451 nan 8.270 nan 0.000 0.440 304 E N 0.461 120.640 120.200 -0.036 0.000 2.153 304 E HA -0.179 4.171 4.350 0.000 0.000 0.194 304 E C 1.760 178.305 176.600 -0.092 0.000 0.988 304 E CA 1.575 57.941 56.400 -0.056 0.000 0.811 304 E CB 0.134 29.796 29.700 -0.063 0.000 0.746 304 E HN 0.332 nan 8.360 nan 0.000 0.466 305 S N -0.197 115.439 115.700 -0.106 0.000 2.406 305 S HA -0.111 4.359 4.470 0.000 0.000 0.228 305 S C 1.916 176.379 174.600 -0.229 0.000 1.020 305 S CA 0.388 58.449 58.200 -0.232 0.000 0.965 305 S CB -0.205 62.890 63.200 -0.175 0.000 0.798 305 S HN 0.145 nan 8.310 nan 0.000 0.488 306 L N 2.126 123.343 121.223 -0.010 0.000 2.042 306 L HA -0.025 4.315 4.340 0.000 0.000 0.210 306 L C 2.615 179.521 176.870 0.059 0.000 1.076 306 L CA 1.826 56.728 54.840 0.104 0.000 0.749 306 L CB -0.977 41.134 42.059 0.087 0.000 0.893 306 L HN 0.395 nan 8.230 nan 0.000 0.432 307 E N -0.927 119.268 120.200 -0.008 0.000 2.152 307 E HA -0.150 4.200 4.350 0.000 0.000 0.192 307 E C 2.286 178.858 176.600 -0.046 0.000 0.983 307 E CA 0.882 57.274 56.400 -0.014 0.000 0.818 307 E CB -0.095 29.591 29.700 -0.023 0.000 0.758 307 E HN 0.454 nan 8.360 nan 0.000 0.467 308 I N 0.246 120.736 120.570 -0.134 0.000 2.226 308 I HA -0.279 3.891 4.170 0.000 0.000 0.245 308 I C 1.799 177.834 176.117 -0.137 0.000 1.100 308 I CA 1.119 62.303 61.300 -0.193 0.000 1.374 308 I CB -0.248 37.552 38.000 -0.332 0.000 1.057 308 I HN 0.125 nan 8.210 nan 0.000 0.413 309 Y N 0.823 121.122 120.300 -0.002 0.000 2.293 309 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 309 Y C 2.596 178.497 175.900 0.002 0.000 1.137 309 Y CA 0.639 58.741 58.100 0.003 0.000 1.202 309 Y CB -1.082 37.384 38.460 0.010 0.000 0.990 309 Y HN 0.102 nan 8.280 nan 0.000 0.537 310 A N 0.656 123.561 122.820 0.141 0.000 1.855 310 A HA -0.193 4.127 4.320 0.000 0.000 0.215 310 A C 2.135 179.742 177.584 0.038 0.000 1.191 310 A CA 1.882 53.967 52.037 0.081 0.000 0.613 310 A CB -0.742 18.292 19.000 0.057 0.000 0.829 310 A HN 0.399 nan 8.150 nan 0.000 0.442 311 N N 0.603 119.309 118.700 0.011 0.000 2.166 311 N HA -0.085 4.655 4.740 0.000 0.000 0.186 311 N C 1.582 177.066 175.510 -0.043 0.000 1.019 311 N CA 1.570 54.608 53.050 -0.019 0.000 0.856 311 N CB -0.562 37.907 38.487 -0.031 0.000 0.993 311 N HN 0.473 nan 8.380 nan 0.000 0.426 312 A N -0.004 122.801 122.820 -0.025 0.000 2.238 312 A HA 0.380 4.700 4.320 0.000 0.000 0.208 312 A C 1.325 178.847 177.584 -0.103 0.000 1.177 312 A CA 0.663 52.663 52.037 -0.062 0.000 0.804 312 A CB -0.525 18.479 19.000 0.006 0.000 0.823 312 A HN 0.314 nan 8.150 nan 0.000 0.482 313 G N -0.591 108.196 108.800 -0.021 0.000 2.246 313 G HA2 -0.160 3.800 3.960 0.000 0.000 0.273 313 G HA3 -0.160 3.800 3.960 0.000 0.000 0.273 313 G C -0.035 174.977 174.900 0.187 0.000 1.055 313 G CA 0.209 45.337 45.100 0.047 0.000 0.851 313 G HN 1.017 nan 8.290 nan 0.000 0.500 314 V N -0.797 119.197 119.914 0.133 0.000 2.407 314 V HA 0.470 4.590 4.120 0.000 0.000 0.278 314 V C 0.792 176.883 176.094 -0.005 0.000 1.037 314 V CA -1.252 61.086 62.300 0.064 0.000 0.900 314 V CB 1.528 33.398 31.823 0.079 0.000 0.983 314 V HN 0.333 nan 8.190 nan 0.000 0.459 315 K N 4.425 124.775 120.400 -0.083 0.000 2.447 315 K HA 0.327 4.647 4.320 0.000 0.000 0.281 315 K C -0.320 176.294 176.600 0.023 0.000 1.031 315 K CA 0.594 56.872 56.287 -0.015 0.000 1.019 315 K CB 0.314 32.799 32.500 -0.025 0.000 0.918 315 K HN 0.634 nan 8.250 nan 0.000 0.476 316 M N 2.129 121.756 119.600 0.046 0.000 2.227 316 M HA 0.344 4.824 4.480 0.000 0.000 0.335 316 M C 0.279 176.616 176.300 0.063 0.000 1.053 316 M CA -0.564 54.745 55.300 0.014 0.000 0.973 316 M CB 2.100 34.709 32.600 0.015 0.000 1.623 316 M HN 0.707 nan 8.290 nan 0.000 0.434 317 G N 1.747 110.572 108.800 0.041 0.000 2.454 317 G HA2 0.601 4.561 3.960 0.000 0.000 0.329 317 G HA3 0.601 4.561 3.960 0.000 0.000 0.329 317 G C -1.577 173.364 174.900 0.068 0.000 1.177 317 G CA -0.547 44.592 45.100 0.065 0.000 0.951 317 G HN 0.613 nan 8.290 nan 0.000 0.485 318 F N 0.927 120.856 119.950 -0.036 0.000 2.484 318 F HA 0.524 5.051 4.527 0.000 0.000 0.360 318 F C 0.675 176.452 175.800 -0.039 0.000 1.101 318 F CA 0.572 58.529 58.000 -0.070 0.000 1.251 318 F CB 1.034 39.978 39.000 -0.094 0.000 1.132 318 F HN 0.532 nan 8.300 nan 0.000 0.570 319 G N 3.073 111.622 108.800 -0.418 0.000 2.740 319 G HA2 0.401 4.361 3.960 0.000 0.000 0.296 319 G HA3 0.401 4.361 3.960 0.000 0.000 0.296 319 G C -0.549 174.150 174.900 -0.334 0.000 1.439 319 G CA -0.103 44.879 45.100 -0.196 0.000 1.066 319 G HN 0.800 nan 8.290 nan 0.000 0.527 320 S N 1.152 116.784 115.700 -0.113 0.000 2.433 320 S HA 0.166 4.636 4.470 0.000 0.000 0.216 320 S C 0.941 175.540 174.600 -0.002 0.000 1.031 320 S CA 1.216 59.367 58.200 -0.081 0.000 0.931 320 S CB -0.042 63.164 63.200 0.011 0.000 0.875 320 S HN 0.906 nan 8.310 nan 0.000 0.553 321 D N 0.463 120.925 120.400 0.103 0.000 2.870 321 D HA -0.114 4.526 4.640 0.000 0.000 0.228 321 D C -0.991 175.353 176.300 0.073 0.000 1.147 321 D CA 0.356 54.476 54.000 0.199 0.000 0.757 321 D CB -2.056 38.940 40.800 0.326 0.000 1.091 321 D HN 0.544 nan 8.370 nan 0.000 0.429 322 L N 0.316 121.523 121.223 -0.026 0.000 2.305 322 L HA 0.421 4.761 4.340 0.000 0.000 0.281 322 L C 0.783 177.389 176.870 -0.440 0.000 1.085 322 L CA -0.628 54.107 54.840 -0.175 0.000 0.813 322 L CB 0.887 42.858 42.059 -0.146 0.000 1.157 322 L HN 0.009 nan 8.230 nan 0.000 0.436 323 L N 2.653 123.711 121.223 -0.276 0.000 2.343 323 L HA 0.739 5.079 4.340 0.000 0.000 0.275 323 L C 1.075 177.772 176.870 -0.288 0.000 1.056 323 L CA -0.355 54.331 54.840 -0.257 0.000 0.804 323 L CB 1.114 43.112 42.059 -0.102 0.000 1.203 323 L HN 0.856 nan 8.230 nan 0.000 0.440 324 G N 1.737 110.420 108.800 -0.196 0.000 2.566 324 G HA2 -0.299 3.661 3.960 0.000 0.000 0.280 324 G HA3 -0.299 3.661 3.960 0.000 0.000 0.280 324 G C 0.705 175.517 174.900 -0.146 0.000 1.225 324 G CA 0.407 45.430 45.100 -0.128 0.000 0.966 324 G HN 0.900 nan 8.290 nan 0.000 0.560 325 E N 0.438 120.454 120.200 -0.306 0.000 2.472 325 E HA 0.003 4.353 4.350 0.000 0.000 0.200 325 E C 2.422 178.799 176.600 -0.372 0.000 1.046 325 E CA 1.284 57.464 56.400 -0.366 0.000 0.871 325 E CB -0.170 29.198 29.700 -0.554 0.000 0.806 325 E HN 0.660 nan 8.360 nan 0.000 0.533 326 M N 0.389 119.808 119.600 -0.303 0.000 2.630 326 M HA -0.027 4.453 4.480 0.000 0.000 0.254 326 M C 1.322 177.586 176.300 -0.061 0.000 1.092 326 M CA 0.753 56.005 55.300 -0.079 0.000 1.087 326 M CB -0.406 32.265 32.600 0.119 0.000 1.453 326 M HN 0.192 nan 8.290 nan 0.000 0.509 327 H N -0.261 118.755 119.070 -0.091 0.000 2.492 327 H HA -0.127 4.429 4.556 0.000 0.000 0.296 327 H C 2.120 177.394 175.328 -0.090 0.000 1.095 327 H CA 1.131 57.142 56.048 -0.062 0.000 1.281 327 H CB 0.134 29.853 29.762 -0.072 0.000 1.374 327 H HN 0.481 nan 8.280 nan 0.000 0.545 328 A N 0.451 123.202 122.820 -0.114 0.000 1.940 328 A HA -0.184 4.136 4.320 0.000 0.000 0.219 328 A C 1.559 179.038 177.584 -0.174 0.000 1.176 328 A CA 1.193 53.086 52.037 -0.241 0.000 0.631 328 A CB -0.825 17.878 19.000 -0.496 0.000 0.814 328 A HN 0.435 nan 8.150 nan 0.000 0.446 329 F N 0.074 120.079 119.950 0.091 0.000 2.754 329 F HA 0.027 4.554 4.527 0.000 0.000 0.303 329 F C 2.131 178.013 175.800 0.137 0.000 1.196 329 F CA 0.509 58.574 58.000 0.109 0.000 1.416 329 F CB -0.194 38.862 39.000 0.093 0.000 1.092 329 F HN 0.384 nan 8.300 nan 0.000 0.541 330 Q N 0.275 120.237 119.800 0.271 0.000 2.061 330 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 330 Q C 2.119 178.369 176.000 0.417 0.000 0.984 330 Q CA 1.977 57.935 55.803 0.257 0.000 0.846 330 Q CB -0.025 28.798 28.738 0.142 0.000 0.902 330 Q HN 0.304 nan 8.270 nan 0.000 0.421 331 S N -0.396 115.591 115.700 0.477 0.000 2.453 331 S HA -0.034 4.436 4.470 0.000 0.000 0.231 331 S C 1.626 176.556 174.600 0.550 0.000 1.005 331 S CA 0.692 59.261 58.200 0.614 0.000 0.949 331 S CB -0.091 63.388 63.200 0.465 0.000 0.774 331 S HN 0.634 nan 8.310 nan 0.000 0.510 332 G N 1.271 110.305 108.800 0.390 0.000 2.559 332 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 332 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 332 G C 1.163 176.203 174.900 0.233 0.000 1.126 332 G CA 0.767 46.044 45.100 0.294 0.000 0.778 332 G HN 0.535 nan 8.290 nan 0.000 0.543 333 E N 0.096 120.414 120.200 0.197 0.000 2.204 333 E HA -0.082 4.268 4.350 0.000 0.000 0.195 333 E C 1.799 178.427 176.600 0.046 0.000 0.990 333 E CA 0.562 56.939 56.400 -0.039 0.000 0.821 333 E CB -0.374 29.043 29.700 -0.472 0.000 0.750 333 E HN 0.412 nan 8.360 nan 0.000 0.477 334 F N 0.618 120.772 119.950 0.341 0.000 2.095 334 F HA -0.112 4.415 4.527 0.000 0.000 0.298 334 F C 2.598 178.474 175.800 0.127 0.000 1.104 334 F CA 1.797 59.951 58.000 0.257 0.000 1.232 334 F CB -0.436 38.651 39.000 0.146 0.000 0.987 334 F HN 0.033 nan 8.300 nan 0.000 0.475 335 R N 0.574 121.256 120.500 0.302 0.000 2.066 335 R HA -0.121 4.219 4.340 0.000 0.000 0.232 335 R C 2.252 178.627 176.300 0.126 0.000 1.131 335 R CA 1.569 57.777 56.100 0.180 0.000 0.955 335 R CB -0.469 29.919 30.300 0.147 0.000 0.851 335 R HN 0.259 nan 8.270 nan 0.000 0.432 336 I N 0.401 121.034 120.570 0.104 0.000 2.208 336 I HA -0.308 3.862 4.170 0.000 0.000 0.245 336 I C 2.403 178.557 176.117 0.062 0.000 1.097 336 I CA 1.503 62.843 61.300 0.065 0.000 1.363 336 I CB -0.251 37.774 38.000 0.041 0.000 1.051 336 I HN 0.190 nan 8.210 nan 0.000 0.413 337 R N 0.482 121.025 120.500 0.071 0.000 2.119 337 R HA 0.043 4.384 4.340 0.000 0.000 0.222 337 R C 2.389 178.747 176.300 0.097 0.000 1.088 337 R CA 1.084 57.228 56.100 0.073 0.000 0.984 337 R CB -0.246 30.091 30.300 0.061 0.000 0.884 337 R HN 0.344 nan 8.270 nan 0.000 0.447 338 A N 1.139 124.033 122.820 0.122 0.000 2.016 338 A HA -0.108 4.212 4.320 0.000 0.000 0.217 338 A C 1.707 179.337 177.584 0.075 0.000 1.162 338 A CA 0.908 53.009 52.037 0.107 0.000 0.662 338 A CB -0.111 18.961 19.000 0.120 0.000 0.812 338 A HN 0.243 nan 8.150 nan 0.000 0.450 339 E N -0.559 119.683 120.200 0.070 0.000 2.268 339 E HA -0.068 4.282 4.350 0.000 0.000 0.195 339 E C 1.524 178.150 176.600 0.042 0.000 0.995 339 E CA 1.056 57.487 56.400 0.052 0.000 0.836 339 E CB 0.043 29.772 29.700 0.048 0.000 0.763 339 E HN 0.464 nan 8.360 nan 0.000 0.491 340 V N -0.125 119.817 119.914 0.047 0.000 2.908 340 V HA -0.012 4.108 4.120 0.000 0.000 0.240 340 V C 1.536 177.655 176.094 0.042 0.000 1.117 340 V CA 0.745 63.069 62.300 0.039 0.000 1.133 340 V CB 0.256 32.102 31.823 0.038 0.000 0.857 340 V HN 0.167 nan 8.190 nan 0.000 0.478 341 L N 0.184 121.440 121.223 0.054 0.000 2.858 341 L HA 0.634 4.974 4.340 0.000 0.000 0.251 341 L C 0.888 177.792 176.870 0.057 0.000 1.149 341 L CA 0.470 55.344 54.840 0.056 0.000 0.955 341 L CB 0.265 42.364 42.059 0.067 0.000 1.289 341 L HN 0.436 nan 8.230 nan 0.000 0.542 342 G N 1.294 110.128 108.800 0.058 0.000 2.733 342 G HA2 -0.248 3.712 3.960 0.000 0.000 0.686 342 G HA3 -0.248 3.712 3.960 0.000 0.000 0.686 342 G C 0.254 175.197 174.900 0.070 0.000 1.373 342 G CA -0.088 45.045 45.100 0.055 0.000 0.838 342 G HN 0.389 nan 8.290 nan 0.000 0.588 343 N N 0.267 119.004 118.700 0.062 0.000 2.515 343 N HA -0.038 4.702 4.740 0.000 0.000 0.185 343 N C 2.123 177.672 175.510 0.066 0.000 1.109 343 N CA 0.688 53.780 53.050 0.070 0.000 0.903 343 N CB 0.608 39.120 38.487 0.042 0.000 0.969 343 N HN 0.498 nan 8.380 nan 0.000 0.450 344 L N 0.986 122.243 121.223 0.057 0.000 2.068 344 L HA -0.070 4.270 4.340 0.000 0.000 0.204 344 L C 2.462 179.377 176.870 0.075 0.000 1.076 344 L CA 1.395 56.267 54.840 0.054 0.000 0.753 344 L CB -0.055 42.029 42.059 0.041 0.000 0.910 344 L HN 0.014 nan 8.230 nan 0.000 0.439 345 E N 0.207 120.454 120.200 0.079 0.000 2.152 345 E HA -0.140 4.210 4.350 0.000 0.000 0.192 345 E C 1.924 178.597 176.600 0.122 0.000 0.983 345 E CA 1.299 57.753 56.400 0.090 0.000 0.818 345 E CB -0.012 29.735 29.700 0.078 0.000 0.758 345 E HN 0.467 nan 8.360 nan 0.000 0.467 346 A N 0.054 122.962 122.820 0.147 0.000 1.969 346 A HA -0.050 4.270 4.320 0.000 0.000 0.218 346 A C 2.133 179.906 177.584 0.316 0.000 1.169 346 A CA 0.887 53.056 52.037 0.220 0.000 0.635 346 A CB -0.419 18.731 19.000 0.250 0.000 0.810 346 A HN 0.324 nan 8.150 nan 0.000 0.445 347 L N -1.423 119.944 121.223 0.240 0.000 2.270 347 L HA -0.010 4.330 4.340 0.000 0.000 0.210 347 L C 2.660 179.636 176.870 0.176 0.000 1.104 347 L CA 0.496 55.469 54.840 0.222 0.000 0.804 347 L CB -0.299 41.811 42.059 0.084 0.000 0.937 347 L HN 0.340 nan 8.230 nan 0.000 0.450 348 R N -0.856 119.729 120.500 0.141 0.000 2.148 348 R HA -0.065 4.275 4.340 0.000 0.000 0.223 348 R C 2.448 178.825 176.300 0.128 0.000 1.088 348 R CA 0.813 56.983 56.100 0.116 0.000 0.985 348 R CB -0.103 30.253 30.300 0.094 0.000 0.880 348 R HN 0.207 nan 8.270 nan 0.000 0.451 349 S N 0.708 116.501 115.700 0.155 0.000 2.365 349 S HA -0.158 4.312 4.470 0.000 0.000 0.225 349 S C 1.710 176.418 174.600 0.180 0.000 1.039 349 S CA 1.672 59.974 58.200 0.170 0.000 1.033 349 S CB -0.013 63.314 63.200 0.212 0.000 0.887 349 S HN 0.487 nan 8.310 nan 0.000 0.447 350 A N 0.189 123.097 122.820 0.147 0.000 2.345 350 A HA 0.292 4.612 4.320 0.000 0.000 0.225 350 A C 1.523 179.193 177.584 0.143 0.000 1.243 350 A CA 0.853 52.936 52.037 0.078 0.000 0.875 350 A CB -0.243 18.630 19.000 -0.212 0.000 0.929 350 A HN 0.610 nan 8.150 nan 0.000 0.502 351 T N -4.452 110.181 114.554 0.132 0.000 3.349 351 T HA 0.036 4.386 4.350 0.000 0.000 0.169 351 T C 1.860 176.604 174.700 0.074 0.000 0.938 351 T CA 1.076 63.244 62.100 0.113 0.000 1.017 351 T CB -0.891 68.048 68.868 0.117 0.000 1.476 351 T HN 0.213 nan 8.240 nan 0.000 0.327 352 T N 1.714 116.309 114.554 0.070 0.000 2.708 352 T HA -0.059 4.292 4.350 0.000 0.000 0.266 352 T C 2.098 176.827 174.700 0.048 0.000 1.037 352 T CA 1.513 63.644 62.100 0.053 0.000 1.146 352 T CB -1.176 67.725 68.868 0.054 0.000 0.865 352 T HN 0.204 nan 8.240 nan 0.000 0.435 353 V N 2.431 122.386 119.914 0.069 0.000 2.358 353 V HA -0.055 4.065 4.120 0.000 0.000 0.246 353 V C 3.248 179.334 176.094 -0.014 0.000 1.047 353 V CA 1.445 63.793 62.300 0.080 0.000 1.035 353 V CB -1.551 30.346 31.823 0.123 0.000 0.658 353 V HN 0.652 nan 8.190 nan 0.000 0.452 354 A N 0.388 123.210 122.820 0.004 0.000 1.892 354 A HA -0.193 4.127 4.320 0.000 0.000 0.218 354 A C 2.408 179.930 177.584 -0.103 0.000 1.188 354 A CA 2.393 54.411 52.037 -0.032 0.000 0.631 354 A CB -0.868 18.166 19.000 0.058 0.000 0.822 354 A HN 0.604 nan 8.150 nan 0.000 0.447 355 A N -0.947 121.838 122.820 -0.058 0.000 2.015 355 A HA -0.116 4.204 4.320 0.000 0.000 0.219 355 A C 1.985 179.490 177.584 -0.132 0.000 1.163 355 A CA 1.624 53.615 52.037 -0.077 0.000 0.646 355 A CB -0.419 18.570 19.000 -0.017 0.000 0.806 355 A HN 0.676 nan 8.150 nan 0.000 0.448 356 E N -0.222 119.895 120.200 -0.137 0.000 2.152 356 E HA -0.096 4.254 4.350 0.000 0.000 0.192 356 E C 1.783 178.106 176.600 -0.462 0.000 0.983 356 E CA 0.742 57.038 56.400 -0.172 0.000 0.818 356 E CB -0.141 29.555 29.700 -0.006 0.000 0.758 356 E HN 0.695 nan 8.360 nan 0.000 0.467 357 I N 0.870 121.052 120.570 -0.646 0.000 2.142 357 I HA -0.216 3.954 4.170 0.000 0.000 0.240 357 I C 2.254 178.018 176.117 -0.587 0.000 1.078 357 I CA 1.037 61.799 61.300 -0.897 0.000 1.343 357 I CB -0.236 37.365 38.000 -0.666 0.000 1.046 357 I HN 0.110 nan 8.210 nan 0.000 0.405 358 V N -1.309 118.355 119.914 -0.417 0.000 3.623 358 V HA 0.093 4.213 4.120 0.000 0.000 0.274 358 V C 0.442 176.345 176.094 -0.318 0.000 1.244 358 V CA 0.476 62.509 62.300 -0.444 0.000 1.182 358 V CB -1.937 29.390 31.823 -0.826 0.000 0.925 358 V HN 0.656 nan 8.190 nan 0.000 0.462 359 N N 0.264 118.821 118.700 -0.237 0.000 2.735 359 N HA -0.160 4.580 4.740 0.000 0.000 0.248 359 N C 0.227 175.694 175.510 -0.071 0.000 1.083 359 N CA 0.901 53.878 53.050 -0.121 0.000 0.703 359 N CB -0.541 37.924 38.487 -0.036 0.000 1.005 359 N HN 0.465 nan 8.380 nan 0.000 0.550 360 M N 0.693 120.239 119.600 -0.089 0.000 2.963 360 M HA 0.068 4.548 4.480 0.000 0.000 0.350 360 M C -0.035 176.255 176.300 -0.016 0.000 1.253 360 M CA -0.029 55.256 55.300 -0.026 0.000 0.856 360 M CB 0.319 32.918 32.600 -0.001 0.000 1.356 360 M HN 0.120 nan 8.290 nan 0.000 0.510 361 Q N 0.125 119.913 119.800 -0.020 0.000 2.271 361 Q HA 0.372 4.712 4.340 0.000 0.000 0.273 361 Q C 0.884 176.889 176.000 0.008 0.000 1.051 361 Q CA 1.083 56.883 55.803 -0.005 0.000 0.901 361 Q CB 0.376 29.114 28.738 -0.000 0.000 1.174 361 Q HN 0.717 nan 8.270 nan 0.000 0.385 362 G N 2.885 111.692 108.800 0.013 0.000 2.284 362 G HA2 -0.400 3.560 3.960 0.000 0.000 0.247 362 G HA3 -0.400 3.560 3.960 0.000 0.000 0.247 362 G C 0.869 175.780 174.900 0.019 0.000 1.012 362 G CA 0.602 45.712 45.100 0.016 0.000 0.618 362 G HN 0.550 nan 8.290 nan 0.000 0.521 363 Q N -0.408 119.406 119.800 0.023 0.000 2.259 363 Q HA 0.582 4.922 4.340 0.000 0.000 0.201 363 Q C 1.251 177.274 176.000 0.038 0.000 0.938 363 Q CA 0.895 56.717 55.803 0.032 0.000 0.872 363 Q CB 0.152 28.916 28.738 0.043 0.000 0.971 363 Q HN 0.646 nan 8.270 nan 0.000 0.494 364 L N -2.938 118.309 121.223 0.039 0.000 2.257 364 L HA 0.572 4.912 4.340 0.000 0.000 0.257 364 L C 0.642 177.531 176.870 0.032 0.000 1.033 364 L CA -0.387 54.480 54.840 0.044 0.000 0.835 364 L CB 2.008 44.113 42.059 0.077 0.000 1.398 364 L HN 0.248 nan 8.230 nan 0.000 0.429 365 G N 0.339 109.160 108.800 0.034 0.000 2.189 365 G HA2 -0.218 3.742 3.960 0.000 0.000 0.267 365 G HA3 -0.218 3.742 3.960 0.000 0.000 0.267 365 G C -0.425 174.494 174.900 0.031 0.000 0.975 365 G CA 0.391 45.514 45.100 0.039 0.000 0.644 365 G HN 0.545 nan 8.290 nan 0.000 0.537 366 V N 0.765 120.691 119.914 0.020 0.000 2.777 366 V HA 0.615 4.735 4.120 0.000 0.000 0.306 366 V C -0.249 175.848 176.094 0.005 0.000 1.112 366 V CA -1.135 61.173 62.300 0.013 0.000 0.917 366 V CB 1.647 33.478 31.823 0.015 0.000 1.018 366 V HN 0.340 nan 8.190 nan 0.000 0.426 367 I N 6.889 127.457 120.570 -0.003 0.000 2.260 367 I HA 0.640 4.810 4.170 0.000 0.000 0.297 367 I C 0.459 176.574 176.117 -0.003 0.000 1.143 367 I CA 0.361 61.657 61.300 -0.007 0.000 1.271 367 I CB 0.403 38.394 38.000 -0.017 0.000 1.461 367 I HN 0.751 nan 8.210 nan 0.000 0.530 368 A N 5.068 127.890 122.820 0.003 0.000 2.566 368 A HA 0.661 4.981 4.320 0.000 0.000 0.292 368 A C -0.602 176.988 177.584 0.011 0.000 1.112 368 A CA -0.572 51.470 52.037 0.008 0.000 0.707 368 A CB 1.463 20.467 19.000 0.008 0.000 1.302 368 A HN 0.184 nan 8.150 nan 0.000 0.409 369 V N 1.518 121.441 119.914 0.015 0.000 2.509 369 V HA 0.402 4.522 4.120 0.000 0.000 0.297 369 V C 1.508 177.610 176.094 0.013 0.000 1.014 369 V CA 2.219 64.528 62.300 0.015 0.000 1.127 369 V CB 0.033 31.866 31.823 0.017 0.000 0.925 369 V HN 2.194 nan 8.190 nan 0.000 0.480 370 G N 3.741 112.548 108.800 0.012 0.000 2.218 370 G HA2 -0.071 3.889 3.960 0.000 0.000 0.216 370 G HA3 -0.071 3.889 3.960 0.000 0.000 0.216 370 G C 0.397 175.305 174.900 0.013 0.000 0.994 370 G CA 0.115 45.222 45.100 0.012 0.000 0.637 370 G HN 1.380 nan 8.290 nan 0.000 0.505 371 A N 0.144 122.971 122.820 0.012 0.000 2.313 371 A HA 0.734 5.054 4.320 0.000 0.000 0.261 371 A C 0.663 178.254 177.584 0.011 0.000 1.090 371 A CA -0.138 51.907 52.037 0.013 0.000 0.807 371 A CB 0.280 19.287 19.000 0.012 0.000 1.055 371 A HN 0.787 nan 8.150 nan 0.000 0.492 372 I N 0.865 121.444 120.570 0.015 0.000 2.588 372 I HA 0.161 4.331 4.170 0.000 0.000 0.283 372 I C 1.135 177.252 176.117 0.001 0.000 1.119 372 I CA 0.210 61.517 61.300 0.011 0.000 1.419 372 I CB 1.167 39.179 38.000 0.021 0.000 1.394 372 I HN 0.662 nan 8.210 nan 0.000 0.562 373 A N 5.249 128.064 122.820 -0.007 0.000 3.048 373 A HA 0.152 4.472 4.320 0.000 0.000 0.264 373 A C -0.433 177.135 177.584 -0.028 0.000 1.796 373 A CA -0.270 51.757 52.037 -0.018 0.000 1.445 373 A CB -0.948 18.040 19.000 -0.019 0.000 1.074 373 A HN 0.618 nan 8.150 nan 0.000 0.621 374 D N 1.202 121.584 120.400 -0.029 0.000 2.443 374 D HA 0.552 5.192 4.640 0.000 0.000 0.221 374 D C -0.434 175.819 176.300 -0.080 0.000 1.097 374 D CA 0.434 54.405 54.000 -0.048 0.000 0.865 374 D CB 0.792 41.573 40.800 -0.030 0.000 1.034 374 D HN 0.395 nan 8.370 nan 0.000 0.511 375 L N 1.532 122.697 121.223 -0.097 0.000 2.388 375 L HA 0.638 4.978 4.340 0.000 0.000 0.264 375 L C -0.679 176.095 176.870 -0.159 0.000 0.998 375 L CA -1.178 53.592 54.840 -0.116 0.000 0.817 375 L CB 2.370 44.384 42.059 -0.076 0.000 1.338 375 L HN -0.057 nan 8.230 nan 0.000 0.414 376 V N 2.677 122.468 119.914 -0.204 0.000 2.540 376 V HA 0.431 4.551 4.120 0.000 0.000 0.302 376 V C -0.361 175.667 176.094 -0.109 0.000 1.035 376 V CA -0.659 61.503 62.300 -0.230 0.000 0.873 376 V CB 2.449 33.972 31.823 -0.501 0.000 0.992 376 V HN 0.404 nan 8.190 nan 0.000 0.428 377 V N 6.746 126.641 119.914 -0.031 0.000 2.350 377 V HA 0.473 4.593 4.120 0.000 0.000 0.276 377 V C -0.156 175.949 176.094 0.019 0.000 1.028 377 V CA -0.309 62.008 62.300 0.030 0.000 0.860 377 V CB 1.388 33.307 31.823 0.159 0.000 0.990 377 V HN 0.602 nan 8.190 nan 0.000 0.453 378 L N 3.665 124.890 121.223 0.003 0.000 2.334 378 L HA 0.544 4.884 4.340 0.000 0.000 0.276 378 L C -0.283 176.585 176.870 -0.003 0.000 1.014 378 L CA -0.654 54.184 54.840 -0.004 0.000 0.815 378 L CB 1.982 44.037 42.059 -0.007 0.000 1.268 378 L HN 0.550 nan 8.230 nan 0.000 0.428 379 D N 2.109 122.504 120.400 -0.009 0.000 2.500 379 D HA 0.543 5.183 4.640 0.000 0.000 0.219 379 D C 0.085 176.376 176.300 -0.014 0.000 1.137 379 D CA 0.488 54.483 54.000 -0.009 0.000 0.946 379 D CB 0.429 41.222 40.800 -0.012 0.000 1.022 379 D HN 0.717 nan 8.370 nan 0.000 0.518 380 G N 2.386 111.176 108.800 -0.017 0.000 2.381 380 G HA2 -0.043 3.917 3.960 0.000 0.000 0.672 380 G HA3 -0.043 3.917 3.960 0.000 0.000 0.672 380 G C -1.170 173.714 174.900 -0.026 0.000 1.324 380 G CA -1.172 43.916 45.100 -0.020 0.000 0.975 380 G HN 0.462 nan 8.290 nan 0.000 0.593 381 N N 1.142 119.827 118.700 -0.026 0.000 2.437 381 N HA 0.578 5.318 4.740 0.000 0.000 0.259 381 N C -0.692 174.797 175.510 -0.035 0.000 0.983 381 N CA -2.203 50.830 53.050 -0.029 0.000 0.937 381 N CB 2.187 40.661 38.487 -0.022 0.000 1.122 381 N HN 0.163 nan 8.380 nan 0.000 0.499 382 P HA -0.121 nan 4.420 nan 0.000 0.218 382 P C 1.416 178.688 177.300 -0.048 0.000 1.149 382 P CA 0.462 63.517 63.100 -0.074 0.000 0.817 382 P CB 0.577 32.210 31.700 -0.113 0.000 0.785 383 L N 0.206 121.411 121.223 -0.029 0.000 2.083 383 L HA -0.147 4.193 4.340 0.000 0.000 0.209 383 L C 2.481 179.348 176.870 -0.005 0.000 1.083 383 L CA 1.884 56.717 54.840 -0.012 0.000 0.752 383 L CB -1.366 40.688 42.059 -0.008 0.000 0.899 383 L HN -0.042 nan 8.230 nan 0.000 0.433 384 E N -0.868 119.327 120.200 -0.009 0.000 2.021 384 E HA -0.053 4.297 4.350 0.000 0.000 0.189 384 E C 0.374 176.973 176.600 -0.002 0.000 0.980 384 E CA 0.667 57.066 56.400 -0.003 0.000 0.803 384 E CB -0.224 29.474 29.700 -0.003 0.000 0.766 384 E HN 0.309 nan 8.360 nan 0.000 0.449 385 D N -0.209 120.185 120.400 -0.010 0.000 2.440 385 D HA 0.143 4.783 4.640 0.000 0.000 0.239 385 D C 0.341 176.625 176.300 -0.025 0.000 1.084 385 D CA -0.376 53.619 54.000 -0.009 0.000 0.843 385 D CB 1.022 41.819 40.800 -0.006 0.000 1.097 385 D HN -0.176 nan 8.370 nan 0.000 0.531 386 I N 3.338 123.898 120.570 -0.016 0.000 2.756 386 I HA 0.110 4.280 4.170 0.000 0.000 0.262 386 I C 1.978 178.068 176.117 -0.045 0.000 1.225 386 I CA 1.005 62.283 61.300 -0.037 0.000 1.472 386 I CB -0.198 37.817 38.000 0.025 0.000 1.094 386 I HN 0.606 nan 8.210 nan 0.000 0.454 387 G N -0.198 108.596 108.800 -0.011 0.000 2.509 387 G HA2 -0.156 3.804 3.960 0.000 0.000 0.218 387 G HA3 -0.156 3.804 3.960 0.000 0.000 0.218 387 G C 1.638 176.529 174.900 -0.016 0.000 1.124 387 G CA 0.926 46.029 45.100 0.004 0.000 0.776 387 G HN 0.465 nan 8.290 nan 0.000 0.547 388 V N -1.542 118.345 119.914 -0.045 0.000 3.141 388 V HA 0.039 4.159 4.120 0.000 0.000 0.265 388 V C 2.054 178.100 176.094 -0.081 0.000 1.126 388 V CA 1.515 63.786 62.300 -0.048 0.000 1.141 388 V CB -0.013 31.783 31.823 -0.045 0.000 0.743 388 V HN 0.123 nan 8.190 nan 0.000 0.492 389 V N 0.014 119.829 119.914 -0.166 0.000 3.307 389 V HA 0.504 4.624 4.120 0.000 0.000 0.244 389 V C 1.866 177.863 176.094 -0.161 0.000 1.196 389 V CA 0.697 62.810 62.300 -0.312 0.000 1.132 389 V CB 0.083 31.401 31.823 -0.841 0.000 0.875 389 V HN 0.515 nan 8.190 nan 0.000 0.468 390 A N 0.344 123.136 122.820 -0.046 0.000 3.215 390 A HA 0.485 4.805 4.320 0.000 0.000 0.269 390 A C 0.169 177.827 177.584 0.124 0.000 1.517 390 A CA 0.294 52.409 52.037 0.130 0.000 1.221 390 A CB -0.576 18.534 19.000 0.183 0.000 1.160 390 A HN 0.348 nan 8.150 nan 0.000 0.620 391 D N 0.301 120.770 120.400 0.116 0.000 2.822 391 D HA 0.051 4.691 4.640 0.000 0.000 0.327 391 D C 0.175 176.545 176.300 0.117 0.000 1.577 391 D CA -0.045 54.021 54.000 0.109 0.000 0.785 391 D CB -0.269 40.572 40.800 0.069 0.000 1.199 391 D HN 0.464 nan 8.370 nan 0.000 0.443 392 E N 0.370 120.666 120.200 0.160 0.000 2.297 392 E HA -0.218 4.132 4.350 0.000 0.000 0.228 392 E C 0.548 177.225 176.600 0.128 0.000 1.213 392 E CA 0.787 57.283 56.400 0.160 0.000 0.712 392 E CB -1.324 28.447 29.700 0.117 0.000 1.202 392 E HN 0.692 nan 8.360 nan 0.000 0.376 393 G N -1.076 107.803 108.800 0.130 0.000 2.295 393 G HA2 -0.265 3.695 3.960 0.000 0.000 0.287 393 G HA3 -0.265 3.695 3.960 0.000 0.000 0.287 393 G C 0.804 175.735 174.900 0.050 0.000 1.055 393 G CA 0.849 46.006 45.100 0.096 0.000 0.922 393 G HN 0.818 nan 8.290 nan 0.000 0.503 394 A N -0.297 122.548 122.820 0.042 0.000 1.929 394 A HA 0.186 4.506 4.320 0.000 0.000 0.216 394 A C 2.099 179.685 177.584 0.003 0.000 1.176 394 A CA 1.547 53.597 52.037 0.022 0.000 0.628 394 A CB -0.018 18.998 19.000 0.028 0.000 0.816 394 A HN 0.502 nan 8.150 nan 0.000 0.444 395 R N -0.797 119.705 120.500 0.002 0.000 2.609 395 R HA 0.275 4.615 4.340 0.000 0.000 0.326 395 R C -0.647 175.642 176.300 -0.017 0.000 1.090 395 R CA -0.043 56.050 56.100 -0.011 0.000 1.072 395 R CB 0.660 30.954 30.300 -0.010 0.000 1.330 395 R HN 0.239 nan 8.270 nan 0.000 0.572 396 V N 1.963 121.865 119.914 -0.019 0.000 2.384 396 V HA 0.150 4.270 4.120 0.000 0.000 0.287 396 V C 0.660 176.706 176.094 -0.080 0.000 1.020 396 V CA -0.405 61.875 62.300 -0.035 0.000 0.850 396 V CB 1.372 33.183 31.823 -0.021 0.000 0.987 396 V HN 0.307 nan 8.190 nan 0.000 0.436 397 E N 5.905 126.031 120.200 -0.124 0.000 2.152 397 E HA 0.043 4.393 4.350 0.000 0.000 0.195 397 E C -0.440 175.935 176.600 -0.375 0.000 0.934 397 E CA 0.492 56.715 56.400 -0.295 0.000 0.869 397 E CB 0.030 29.473 29.700 -0.428 0.000 0.842 397 E HN 0.652 nan 8.360 nan 0.000 0.472 398 Y N 0.944 121.214 120.300 -0.049 0.000 2.360 398 Y HA 0.492 5.043 4.550 0.000 0.000 0.337 398 Y C -0.104 175.747 175.900 -0.082 0.000 1.039 398 Y CA -0.979 57.087 58.100 -0.056 0.000 1.109 398 Y CB 2.184 40.614 38.460 -0.050 0.000 1.201 398 Y HN -0.229 nan 8.280 nan 0.000 0.458 399 V N 5.278 125.234 119.914 0.069 0.000 2.531 399 V HA 0.468 4.588 4.120 0.000 0.000 0.301 399 V C -0.733 175.357 176.094 -0.007 0.000 1.034 399 V CA -0.782 61.506 62.300 -0.020 0.000 0.865 399 V CB 1.780 33.565 31.823 -0.062 0.000 0.995 399 V HN 0.535 nan 8.190 nan 0.000 0.424 400 L N 4.048 125.248 121.223 -0.039 0.000 2.342 400 L HA 0.705 5.045 4.340 0.000 0.000 0.271 400 L C -0.360 176.480 176.870 -0.049 0.000 1.008 400 L CA -0.104 54.715 54.840 -0.036 0.000 0.818 400 L CB 1.995 44.031 42.059 -0.038 0.000 1.296 400 L HN 0.646 nan 8.230 nan 0.000 0.427 401 Q N 1.878 121.655 119.800 -0.039 0.000 2.289 401 Q HA 0.434 4.774 4.340 0.000 0.000 0.270 401 Q C -0.810 175.170 176.000 -0.033 0.000 1.038 401 Q CA -0.763 55.017 55.803 -0.039 0.000 0.812 401 Q CB 1.647 30.361 28.738 -0.040 0.000 1.300 401 Q HN 0.447 nan 8.270 nan 0.000 0.427 402 R N 2.188 122.671 120.500 -0.029 0.000 3.301 402 R HA -0.302 4.038 4.340 0.000 0.000 0.249 402 R C 0.578 176.865 176.300 -0.023 0.000 0.964 402 R CA 0.866 56.952 56.100 -0.024 0.000 0.653 402 R CB -2.067 28.216 30.300 -0.028 0.000 1.043 402 R HN 1.151 nan 8.270 nan 0.000 0.454 403 G N -1.179 107.607 108.800 -0.023 0.000 2.205 403 G HA2 -0.365 3.595 3.960 0.000 0.000 0.261 403 G HA3 -0.365 3.595 3.960 0.000 0.000 0.261 403 G C 0.165 175.050 174.900 -0.024 0.000 0.980 403 G CA 0.742 45.828 45.100 -0.023 0.000 0.632 403 G HN 0.788 nan 8.290 nan 0.000 0.533 404 T N -0.776 113.763 114.554 -0.024 0.000 2.856 404 T HA 0.682 5.032 4.350 0.000 0.000 0.283 404 T C -0.046 174.644 174.700 -0.017 0.000 1.008 404 T CA -0.475 61.613 62.100 -0.021 0.000 0.997 404 T CB 1.904 70.760 68.868 -0.020 0.000 0.992 404 T HN 1.087 nan 8.240 nan 0.000 0.454 405 L N 5.221 126.439 121.223 -0.007 0.000 2.367 405 L HA 0.444 4.784 4.340 0.000 0.000 0.275 405 L C 0.628 177.505 176.870 0.012 0.000 1.129 405 L CA 0.415 55.263 54.840 0.013 0.000 0.839 405 L CB 0.873 42.955 42.059 0.038 0.000 1.133 405 L HN 0.701 nan 8.230 nan 0.000 0.453 406 V N 2.003 121.923 119.914 0.010 0.000 3.484 406 V HA 0.387 4.507 4.120 0.000 0.000 0.252 406 V C 0.383 176.476 176.094 -0.002 0.000 1.282 406 V CA 0.045 62.343 62.300 -0.003 0.000 1.104 406 V CB -0.325 31.488 31.823 -0.017 0.000 0.868 406 V HN 0.606 nan 8.190 nan 0.000 0.457 407 K N 1.427 121.832 120.400 0.007 0.000 2.468 407 K HA 0.592 4.912 4.320 0.000 0.000 0.252 407 K C -1.252 175.336 176.600 -0.019 0.000 0.932 407 K CA -0.363 55.918 56.287 -0.011 0.000 0.794 407 K CB 3.167 35.652 32.500 -0.025 0.000 1.241 407 K HN 0.116 nan 8.250 nan 0.000 0.428 408 R N 2.571 123.035 120.500 -0.059 0.000 2.502 408 R HA 0.340 4.680 4.340 0.000 0.000 0.300 408 R C -0.952 175.251 176.300 -0.161 0.000 0.984 408 R CA -0.191 55.823 56.100 -0.144 0.000 0.882 408 R CB 1.407 31.664 30.300 -0.071 0.000 1.180 408 R HN 0.725 nan 8.270 nan 0.000 0.444 409 Q N 0.000 119.656 119.800 -0.241 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.705 55.803 -0.164 0.000 1.022 409 Q CB 0.000 28.666 28.738 -0.120 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481