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 3feq_1_G DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA 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 0.000 174.693 174.700 -0.011 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.011 0.000 0.612 3 I N -0.244 120.318 120.570 -0.013 0.000 2.842 3 I HA 0.667 4.837 4.170 0.000 0.000 0.297 3 I C -1.905 174.202 176.117 -0.017 0.000 1.380 3 I CA -0.193 61.099 61.300 -0.013 0.000 1.018 3 I CB 2.307 40.300 38.000 -0.011 0.000 1.311 3 I HN 0.997 nan 8.210 nan 0.000 0.439 4 T N 5.305 119.848 114.554 -0.019 0.000 2.933 4 T HA 0.603 4.954 4.350 0.000 0.000 0.305 4 T C -1.476 173.211 174.700 -0.022 0.000 1.092 4 T CA -0.492 61.592 62.100 -0.027 0.000 1.008 4 T CB 2.121 70.965 68.868 -0.041 0.000 1.102 4 T HN 0.309 nan 8.240 nan 0.000 0.469 5 V N 3.889 123.790 119.914 -0.022 0.000 2.443 5 V HA 0.378 4.498 4.120 0.000 0.000 0.293 5 V C -0.874 175.203 176.094 -0.027 0.000 1.021 5 V CA -0.970 61.329 62.300 -0.001 0.000 0.848 5 V CB 1.576 33.420 31.823 0.036 0.000 0.998 5 V HN 0.649 nan 8.190 nan 0.000 0.424 6 L N 6.016 127.216 121.223 -0.039 0.000 2.325 6 L HA 0.393 4.733 4.340 0.000 0.000 0.284 6 L C 0.440 177.271 176.870 -0.066 0.000 1.089 6 L CA 0.345 55.138 54.840 -0.078 0.000 0.836 6 L CB 0.584 42.590 42.059 -0.087 0.000 1.184 6 L HN 0.816 nan 8.230 nan 0.000 0.444 7 Q N 1.198 120.935 119.800 -0.105 0.000 2.293 7 Q HA 0.635 4.975 4.340 0.000 0.000 0.261 7 Q C 0.630 176.410 176.000 -0.366 0.000 0.960 7 Q CA -0.436 55.227 55.803 -0.234 0.000 0.882 7 Q CB 1.720 30.443 28.738 -0.025 0.000 1.275 7 Q HN 0.774 nan 8.270 nan 0.000 0.445 8 G N 1.924 110.313 108.800 -0.685 0.000 2.147 8 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 8 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 8 G C 0.343 175.076 174.900 -0.278 0.000 1.005 8 G CA -0.230 44.648 45.100 -0.369 0.000 0.713 8 G HN 1.005 nan 8.290 nan 0.000 0.515 9 G N -0.565 108.106 108.800 -0.214 0.000 2.539 9 G HA2 0.467 4.427 3.960 0.000 0.000 0.258 9 G HA3 0.467 4.427 3.960 0.000 0.000 0.258 9 G C 0.019 174.843 174.900 -0.127 0.000 1.202 9 G CA -0.310 44.702 45.100 -0.147 0.000 0.851 9 G HN 0.506 nan 8.290 nan 0.000 0.556 10 N N 0.162 118.792 118.700 -0.118 0.000 2.521 10 N HA 0.300 5.040 4.740 0.000 0.000 0.236 10 N C -0.468 174.999 175.510 -0.071 0.000 1.067 10 N CA -0.531 52.466 53.050 -0.089 0.000 0.939 10 N CB 1.907 40.339 38.487 -0.091 0.000 1.201 10 N HN 0.180 nan 8.380 nan 0.000 0.511 11 V N 3.141 123.011 119.914 -0.074 0.000 2.470 11 V HA 0.026 4.146 4.120 0.000 0.000 0.276 11 V C 0.594 176.633 176.094 -0.092 0.000 1.040 11 V CA -0.436 61.818 62.300 -0.078 0.000 1.008 11 V CB 0.732 32.510 31.823 -0.075 0.000 0.990 11 V HN 0.629 nan 8.190 nan 0.000 0.477 12 L N 5.492 126.679 121.223 -0.060 0.000 2.369 12 L HA 0.267 4.607 4.340 0.000 0.000 0.279 12 L C 0.354 177.198 176.870 -0.044 0.000 1.108 12 L CA 0.169 54.980 54.840 -0.048 0.000 0.852 12 L CB 0.431 42.474 42.059 -0.027 0.000 1.169 12 L HN 0.694 nan 8.230 nan 0.000 0.452 13 D N 4.619 124.989 120.400 -0.051 0.000 2.280 13 D HA 0.162 4.802 4.640 0.000 0.000 0.236 13 D C 0.628 176.919 176.300 -0.015 0.000 1.082 13 D CA -0.389 53.590 54.000 -0.036 0.000 0.834 13 D CB 1.786 42.555 40.800 -0.050 0.000 1.100 13 D HN 0.525 nan 8.370 nan 0.000 0.486 14 L N 3.239 124.462 121.223 0.000 0.000 2.298 14 L HA -0.025 4.315 4.340 0.000 0.000 0.209 14 L C 2.374 179.253 176.870 0.016 0.000 1.084 14 L CA 0.334 55.182 54.840 0.013 0.000 0.816 14 L CB 0.018 42.094 42.059 0.027 0.000 0.967 14 L HN 0.488 nan 8.230 nan 0.000 0.460 15 E N 0.318 120.526 120.200 0.013 0.000 2.358 15 E HA -0.154 4.197 4.350 0.000 0.000 0.195 15 E C 1.729 178.336 176.600 0.011 0.000 1.010 15 E CA 0.751 57.160 56.400 0.016 0.000 0.856 15 E CB 0.034 29.744 29.700 0.016 0.000 0.795 15 E HN 0.443 nan 8.360 nan 0.000 0.504 16 R N -0.131 120.372 120.500 0.004 0.000 2.254 16 R HA 0.184 4.524 4.340 0.000 0.000 0.193 16 R C 0.949 177.250 176.300 0.001 0.000 0.929 16 R CA 0.608 56.709 56.100 0.002 0.000 1.038 16 R CB 0.694 30.992 30.300 -0.004 0.000 1.009 16 R HN 0.265 nan 8.270 nan 0.000 0.512 17 G N 1.172 109.972 108.800 -0.000 0.000 2.248 17 G HA2 -0.209 3.751 3.960 0.000 0.000 0.263 17 G HA3 -0.209 3.751 3.960 0.000 0.000 0.263 17 G C -0.192 174.705 174.900 -0.006 0.000 1.082 17 G CA 0.214 45.314 45.100 0.001 0.000 0.863 17 G HN 0.240 nan 8.290 nan 0.000 0.495 18 V N -2.935 116.970 119.914 -0.016 0.000 3.049 18 V HA 0.807 4.927 4.120 0.000 0.000 0.309 18 V C 0.579 176.650 176.094 -0.039 0.000 1.148 18 V CA -1.754 60.533 62.300 -0.022 0.000 0.990 18 V CB 2.021 33.832 31.823 -0.021 0.000 1.039 18 V HN 0.311 nan 8.190 nan 0.000 0.430 19 L N 2.685 123.885 121.223 -0.039 0.000 2.417 19 L HA 0.490 4.830 4.340 0.000 0.000 0.268 19 L C -0.554 176.269 176.870 -0.079 0.000 1.158 19 L CA -0.372 54.434 54.840 -0.057 0.000 0.819 19 L CB 0.987 43.020 42.059 -0.043 0.000 1.112 19 L HN 0.520 nan 8.230 nan 0.000 0.458 20 L N 3.600 124.737 121.223 -0.144 0.000 2.318 20 L HA 0.312 4.652 4.340 0.000 0.000 0.277 20 L C 0.118 176.955 176.870 -0.055 0.000 1.008 20 L CA -0.767 53.936 54.840 -0.228 0.000 0.846 20 L CB 1.098 42.730 42.059 -0.712 0.000 1.220 20 L HN 0.609 nan 8.230 nan 0.000 0.423 21 E N 3.103 123.363 120.200 0.099 0.000 2.390 21 E HA 0.049 4.399 4.350 0.000 0.000 0.261 21 E C 0.089 176.856 176.600 0.279 0.000 1.076 21 E CA -0.549 55.917 56.400 0.111 0.000 0.905 21 E CB 0.375 30.142 29.700 0.111 0.000 0.984 21 E HN 0.550 nan 8.360 nan 0.000 0.427 22 H N 0.157 119.286 119.070 0.099 0.000 2.636 22 H HA -0.173 4.383 4.556 0.000 0.000 0.312 22 H C -0.670 174.695 175.328 0.061 0.000 1.106 22 H CA 1.080 57.147 56.048 0.032 0.000 1.139 22 H CB -1.882 27.893 29.762 0.021 0.000 1.423 22 H HN 0.487 nan 8.280 nan 0.000 0.407 23 H N 0.517 119.612 119.070 0.041 0.000 2.562 23 H HA 0.231 4.787 4.556 0.000 0.000 0.314 23 H C 0.909 176.250 175.328 0.021 0.000 1.079 23 H CA -0.172 55.927 56.048 0.085 0.000 1.349 23 H CB 0.587 30.380 29.762 0.051 0.000 1.432 23 H HN 0.317 nan 8.280 nan 0.000 0.479 24 H N 1.419 120.528 119.070 0.065 0.000 2.551 24 H HA 0.322 4.878 4.556 0.000 0.000 0.358 24 H C -0.233 175.121 175.328 0.043 0.000 1.151 24 H CA -0.524 55.545 56.048 0.035 0.000 1.374 24 H CB 2.024 31.789 29.762 0.005 0.000 1.473 24 H HN 0.306 nan 8.280 nan 0.000 0.574 25 V N 2.850 122.838 119.914 0.123 0.000 2.588 25 V HA 0.320 4.440 4.120 0.000 0.000 0.304 25 V C -0.990 175.132 176.094 0.047 0.000 1.042 25 V CA -0.600 61.743 62.300 0.072 0.000 0.877 25 V CB 1.536 33.380 31.823 0.034 0.000 0.996 25 V HN 0.446 nan 8.190 nan 0.000 0.425 26 V N 7.905 127.841 119.914 0.036 0.000 2.357 26 V HA 0.540 4.660 4.120 0.000 0.000 0.284 26 V C -0.174 175.923 176.094 0.006 0.000 1.018 26 V CA -0.569 61.742 62.300 0.019 0.000 0.841 26 V CB 1.325 33.158 31.823 0.016 0.000 0.991 26 V HN 0.719 nan 8.190 nan 0.000 0.437 27 I N 3.609 124.177 120.570 -0.004 0.000 2.336 27 I HA 0.494 4.664 4.170 0.000 0.000 0.292 27 I C -0.416 175.696 176.117 -0.009 0.000 0.991 27 I CA -0.281 61.013 61.300 -0.010 0.000 1.227 27 I CB 1.456 39.444 38.000 -0.020 0.000 1.366 27 I HN 0.607 nan 8.210 nan 0.000 0.466 28 D N 3.958 124.354 120.400 -0.007 0.000 2.492 28 D HA 0.584 5.224 4.640 0.000 0.000 0.248 28 D C 0.663 176.958 176.300 -0.007 0.000 1.101 28 D CA 0.639 54.635 54.000 -0.007 0.000 0.840 28 D CB 1.746 42.543 40.800 -0.005 0.000 1.209 28 D HN 0.838 nan 8.370 nan 0.000 0.524 29 G N 4.118 112.912 108.800 -0.009 0.000 2.574 29 G HA2 -0.332 3.628 3.960 0.000 0.000 0.301 29 G HA3 -0.332 3.628 3.960 0.000 0.000 0.301 29 G C 0.635 175.528 174.900 -0.011 0.000 1.166 29 G CA 0.542 45.637 45.100 -0.009 0.000 0.971 29 G HN 0.580 nan 8.290 nan 0.000 0.542 30 E N 1.049 121.244 120.200 -0.008 0.000 2.538 30 E HA 0.241 4.591 4.350 0.000 0.000 0.207 30 E C 0.844 177.441 176.600 -0.005 0.000 1.002 30 E CA -0.182 56.213 56.400 -0.009 0.000 0.952 30 E CB 0.642 30.337 29.700 -0.008 0.000 1.031 30 E HN 0.339 nan 8.360 nan 0.000 0.476 31 R N 0.904 121.402 120.500 -0.004 0.000 2.740 31 R HA 0.482 4.822 4.340 0.000 0.000 0.282 31 R C -0.345 175.955 176.300 -0.000 0.000 0.969 31 R CA -0.821 55.279 56.100 0.000 0.000 0.918 31 R CB 2.076 32.379 30.300 0.004 0.000 1.175 31 R HN -0.014 nan 8.270 nan 0.000 0.464 32 I N 2.643 123.215 120.570 0.002 0.000 2.396 32 I HA 0.021 4.191 4.170 0.000 0.000 0.289 32 I C 1.224 177.346 176.117 0.008 0.000 1.056 32 I CA -0.109 61.194 61.300 0.004 0.000 1.365 32 I CB 1.293 39.297 38.000 0.006 0.000 1.407 32 I HN 0.422 nan 8.210 nan 0.000 0.509 33 V N 4.108 124.026 119.914 0.008 0.000 3.085 33 V HA 0.177 4.297 4.120 0.000 0.000 0.245 33 V C 0.638 176.740 176.094 0.013 0.000 1.114 33 V CA 0.596 62.901 62.300 0.009 0.000 1.108 33 V CB -0.240 31.585 31.823 0.004 0.000 0.798 33 V HN 0.708 nan 8.190 nan 0.000 0.471 34 E N -0.222 119.989 120.200 0.018 0.000 2.308 34 E HA 0.571 4.921 4.350 0.000 0.000 0.275 34 E C -1.918 174.710 176.600 0.046 0.000 0.890 34 E CA -0.306 56.110 56.400 0.027 0.000 0.754 34 E CB 3.145 32.855 29.700 0.016 0.000 1.207 34 E HN 0.046 nan 8.360 nan 0.000 0.426 35 V N 2.664 122.616 119.914 0.063 0.000 2.376 35 V HA 0.564 4.684 4.120 0.000 0.000 0.287 35 V C -0.251 175.934 176.094 0.151 0.000 1.015 35 V CA -0.424 61.940 62.300 0.106 0.000 0.834 35 V CB 1.517 33.395 31.823 0.093 0.000 1.001 35 V HN 0.692 nan 8.190 nan 0.000 0.428 36 T N 1.875 116.522 114.554 0.156 0.000 2.840 36 T HA 0.347 4.697 4.350 0.000 0.000 0.317 36 T C -0.836 173.813 174.700 -0.085 0.000 1.401 36 T CA -0.361 61.771 62.100 0.053 0.000 1.028 36 T CB 1.948 70.814 68.868 -0.003 0.000 1.317 36 T HN 0.796 nan 8.240 nan 0.000 0.495 37 D N 1.507 121.698 120.400 -0.348 0.000 2.427 37 D HA 0.160 4.800 4.640 0.000 0.000 0.224 37 D C 0.497 176.714 176.300 -0.137 0.000 1.157 37 D CA -0.523 53.295 54.000 -0.302 0.000 0.828 37 D CB 0.116 40.563 40.800 -0.589 0.000 0.974 37 D HN 0.067 nan 8.370 nan 0.000 0.498 38 R N 2.088 122.494 120.500 -0.155 0.000 2.679 38 R HA 0.203 4.543 4.340 0.000 0.000 0.268 38 R C -2.127 173.994 176.300 -0.298 0.000 1.044 38 R CA -1.889 54.105 56.100 -0.177 0.000 1.105 38 R CB -0.635 29.570 30.300 -0.160 0.000 0.989 38 R HN 0.162 nan 8.270 nan 0.000 0.447 39 P HA -0.018 nan 4.420 nan 0.000 0.262 39 P C -0.265 176.880 177.300 -0.259 0.000 1.199 39 P CA 0.189 63.153 63.100 -0.227 0.000 0.763 39 P CB 0.640 32.275 31.700 -0.108 0.000 0.790 40 V N 3.324 123.026 119.914 -0.352 0.000 2.630 40 V HA 0.199 4.319 4.120 0.000 0.000 0.305 40 V C 0.171 176.190 176.094 -0.126 0.000 1.046 40 V CA -0.440 61.712 62.300 -0.246 0.000 0.934 40 V CB 1.830 33.475 31.823 -0.297 0.000 1.003 40 V HN 0.377 nan 8.190 nan 0.000 0.451 41 D N 4.072 124.422 120.400 -0.083 0.000 2.631 41 D HA 0.278 4.918 4.640 0.000 0.000 0.227 41 D C -0.099 176.181 176.300 -0.035 0.000 1.146 41 D CA -0.240 53.729 54.000 -0.052 0.000 1.009 41 D CB -0.184 40.589 40.800 -0.044 0.000 1.057 41 D HN 0.455 nan 8.370 nan 0.000 0.509 42 L N 0.918 122.125 121.223 -0.028 0.000 2.282 42 L HA 0.579 4.919 4.340 0.000 0.000 0.287 42 L C -1.682 175.181 176.870 -0.012 0.000 1.075 42 L CA -1.119 53.712 54.840 -0.015 0.000 0.839 42 L CB 0.714 42.771 42.059 -0.004 0.000 1.219 42 L HN -0.004 nan 8.230 nan 0.000 0.434 43 P HA 0.087 nan 4.420 nan 0.000 0.209 43 P C 0.189 177.484 177.300 -0.008 0.000 1.201 43 P CA 0.775 63.869 63.100 -0.010 0.000 0.911 43 P CB 0.228 31.922 31.700 -0.011 0.000 0.758 44 N N -0.710 117.985 118.700 -0.009 0.000 2.458 44 N HA 0.413 5.153 4.740 0.000 0.000 0.274 44 N C -0.718 174.787 175.510 -0.010 0.000 1.242 44 N CA -0.214 52.831 53.050 -0.009 0.000 0.904 44 N CB 0.253 38.735 38.487 -0.008 0.000 1.206 44 N HN 0.150 nan 8.380 nan 0.000 0.510 45 A N 0.324 123.138 122.820 -0.010 0.000 2.331 45 A HA 0.337 4.658 4.320 0.000 0.000 0.283 45 A C 0.167 177.742 177.584 -0.014 0.000 1.142 45 A CA -0.407 51.623 52.037 -0.011 0.000 0.812 45 A CB 0.458 19.454 19.000 -0.008 0.000 1.074 45 A HN 0.229 nan 8.150 nan 0.000 0.497 46 Q N 1.301 121.089 119.800 -0.021 0.000 2.283 46 Q HA 0.351 4.691 4.340 0.000 0.000 0.269 46 Q C 0.242 176.220 176.000 -0.036 0.000 1.187 46 Q CA 0.647 56.432 55.803 -0.029 0.000 0.922 46 Q CB 0.261 28.976 28.738 -0.038 0.000 1.323 46 Q HN 0.774 nan 8.270 nan 0.000 0.432 47 A N 4.869 127.672 122.820 -0.028 0.000 2.347 47 A HA 0.420 4.740 4.320 0.000 0.000 0.287 47 A C -0.450 177.096 177.584 -0.062 0.000 1.199 47 A CA -0.364 51.655 52.037 -0.030 0.000 0.851 47 A CB 0.038 19.034 19.000 -0.007 0.000 1.118 47 A HN 0.771 nan 8.150 nan 0.000 0.525 48 I N 2.644 123.151 120.570 -0.106 0.000 2.339 48 I HA 0.184 4.354 4.170 0.000 0.000 0.290 48 I C -0.038 175.993 176.117 -0.143 0.000 0.994 48 I CA -0.407 60.787 61.300 -0.177 0.000 1.191 48 I CB 1.637 39.427 38.000 -0.350 0.000 1.343 48 I HN 0.587 nan 8.210 nan 0.000 0.458 49 D N 6.549 126.897 120.400 -0.087 0.000 2.316 49 D HA 0.181 4.821 4.640 0.000 0.000 0.245 49 D C -0.385 175.895 176.300 -0.032 0.000 1.171 49 D CA -0.039 53.933 54.000 -0.046 0.000 0.856 49 D CB 1.522 42.318 40.800 -0.007 0.000 1.090 49 D HN 0.229 nan 8.370 nan 0.000 0.476 50 V N 5.767 125.645 119.914 -0.061 0.000 2.699 50 V HA 0.105 4.225 4.120 0.000 0.000 0.311 50 V C 0.605 176.657 176.094 -0.069 0.000 1.160 50 V CA -0.770 61.504 62.300 -0.043 0.000 1.313 50 V CB -0.091 31.689 31.823 -0.073 0.000 1.553 50 V HN 0.440 nan 8.190 nan 0.000 0.630 51 R N 1.756 122.228 120.500 -0.046 0.000 2.389 51 R HA 0.376 4.716 4.340 0.000 0.000 0.295 51 R C 0.771 177.030 176.300 -0.068 0.000 1.075 51 R CA 0.747 56.808 56.100 -0.065 0.000 1.005 51 R CB 0.586 30.885 30.300 -0.002 0.000 0.987 51 R HN 0.775 nan 8.270 nan 0.000 0.452 52 G N 2.913 111.634 108.800 -0.132 0.000 2.305 52 G HA2 -0.325 3.635 3.960 0.000 0.000 0.287 52 G HA3 -0.325 3.635 3.960 0.000 0.000 0.287 52 G C -0.541 174.319 174.900 -0.067 0.000 1.036 52 G CA 0.860 45.902 45.100 -0.097 0.000 0.887 52 G HN 0.672 nan 8.290 nan 0.000 0.505 53 K N -0.208 120.147 120.400 -0.075 0.000 2.482 53 K HA 0.438 4.758 4.320 0.000 0.000 0.251 53 K C -0.177 176.392 176.600 -0.051 0.000 0.936 53 K CA -0.694 55.567 56.287 -0.044 0.000 0.791 53 K CB 1.582 34.076 32.500 -0.009 0.000 1.213 53 K HN 0.054 nan 8.250 nan 0.000 0.428 54 T N 1.794 116.323 114.554 -0.042 0.000 2.769 54 T HA 0.060 4.411 4.350 0.000 0.000 0.293 54 T C -0.384 174.293 174.700 -0.038 0.000 0.931 54 T CA -0.273 61.800 62.100 -0.044 0.000 1.139 54 T CB 0.506 69.351 68.868 -0.039 0.000 0.881 54 T HN 0.273 nan 8.240 nan 0.000 0.532 55 V N 7.614 127.500 119.914 -0.045 0.000 2.347 55 V HA 0.730 4.850 4.120 0.000 0.000 0.280 55 V C -0.366 175.700 176.094 -0.046 0.000 1.021 55 V CA -0.763 61.509 62.300 -0.046 0.000 0.847 55 V CB 0.377 32.172 31.823 -0.047 0.000 0.990 55 V HN 0.924 nan 8.190 nan 0.000 0.444 56 M N 6.401 125.969 119.600 -0.053 0.000 2.727 56 M HA 0.832 5.313 4.480 0.000 0.000 0.300 56 M C -2.941 173.317 176.300 -0.070 0.000 1.246 56 M CA -2.302 52.975 55.300 -0.039 0.000 0.835 56 M CB 2.017 34.618 32.600 0.002 0.000 1.755 56 M HN 0.251 nan 8.290 nan 0.000 0.473 57 P HA 0.242 nan 4.420 nan 0.000 0.272 57 P C -0.100 177.106 177.300 -0.155 0.000 1.223 57 P CA 0.005 63.068 63.100 -0.061 0.000 0.784 57 P CB 0.340 32.038 31.700 -0.003 0.000 0.923 58 G N 1.669 110.341 108.800 -0.213 0.000 2.491 58 G HA2 0.307 4.267 3.960 0.000 0.000 0.242 58 G HA3 0.307 4.267 3.960 0.000 0.000 0.242 58 G C -0.589 174.164 174.900 -0.246 0.000 1.266 58 G CA -0.288 44.566 45.100 -0.409 0.000 0.844 58 G HN 0.212 nan 8.290 nan 0.000 0.571 59 F N -0.002 119.850 119.950 -0.163 0.000 2.450 59 F HA 0.446 4.973 4.527 0.000 0.000 0.339 59 F C 0.789 176.615 175.800 0.042 0.000 1.146 59 F CA -0.994 56.897 58.000 -0.182 0.000 1.267 59 F CB 0.676 39.304 39.000 -0.620 0.000 1.178 59 F HN 0.138 nan 8.300 nan 0.000 0.585 60 I N 1.882 122.637 120.570 0.310 0.000 2.410 60 I HA 0.195 4.365 4.170 0.000 0.000 0.286 60 I C -0.736 175.579 176.117 0.330 0.000 1.009 60 I CA -0.632 60.846 61.300 0.297 0.000 1.111 60 I CB 1.464 39.560 38.000 0.159 0.000 1.262 60 I HN 0.409 nan 8.210 nan 0.000 0.443 61 D N 5.278 125.904 120.400 0.376 0.000 2.274 61 D HA 0.217 4.857 4.640 0.000 0.000 0.239 61 D C 0.298 176.709 176.300 0.185 0.000 1.104 61 D CA -0.336 53.857 54.000 0.321 0.000 0.840 61 D CB 1.668 42.507 40.800 0.065 0.000 1.100 61 D HN 0.574 nan 8.370 nan 0.000 0.477 62 C N 2.790 122.193 119.300 0.171 0.000 2.626 62 C HA 0.130 4.591 4.460 0.000 0.000 0.266 62 C C 0.787 175.819 174.990 0.071 0.000 1.317 62 C CA -0.122 58.941 59.018 0.075 0.000 1.716 62 C CB -1.748 26.014 27.740 0.037 0.000 1.819 62 C HN 0.598 nan 8.230 nan 0.000 0.578 63 H N -0.107 118.932 119.070 -0.052 0.000 2.941 63 H HA 0.456 5.012 4.556 0.000 0.000 0.291 63 H C -0.831 174.421 175.328 -0.127 0.000 1.361 63 H CA -0.186 55.792 56.048 -0.116 0.000 1.606 63 H CB 0.403 30.076 29.762 -0.149 0.000 1.848 63 H HN 0.092 nan 8.280 nan 0.000 0.601 64 V N 0.733 120.563 119.914 -0.141 0.000 2.960 64 V HA 0.550 4.670 4.120 0.000 0.000 0.315 64 V C -0.370 175.560 176.094 -0.273 0.000 1.087 64 V CA -0.850 61.408 62.300 -0.070 0.000 0.982 64 V CB 2.398 34.215 31.823 -0.010 0.000 1.039 64 V HN 0.701 nan 8.190 nan 0.000 0.437 65 H N 1.541 120.674 119.070 0.105 0.000 2.645 65 H HA 0.374 4.930 4.556 0.000 0.000 0.257 65 H C 0.664 176.065 175.328 0.123 0.000 1.269 65 H CA -0.273 55.826 56.048 0.085 0.000 1.409 65 H CB 1.846 31.660 29.762 0.087 0.000 1.434 65 H HN 0.538 nan 8.280 nan 0.000 0.505 66 V N 2.491 122.473 119.914 0.113 0.000 2.469 66 V HA -0.251 3.869 4.120 0.000 0.000 0.251 66 V C 2.122 178.222 176.094 0.009 0.000 1.064 66 V CA 1.606 63.921 62.300 0.026 0.000 1.066 66 V CB -0.202 31.611 31.823 -0.016 0.000 0.667 66 V HN 0.554 nan 8.190 nan 0.000 0.461 67 L N 0.030 121.287 121.223 0.056 0.000 2.591 67 L HA 0.284 4.624 4.340 0.000 0.000 0.228 67 L C 1.414 178.309 176.870 0.042 0.000 1.133 67 L CA 0.141 54.999 54.840 0.030 0.000 0.880 67 L CB -0.212 41.863 42.059 0.027 0.000 1.033 67 L HN 0.234 nan 8.230 nan 0.000 0.450 68 A N -0.143 122.743 122.820 0.111 0.000 2.915 68 A HA 0.227 4.547 4.320 0.000 0.000 0.292 68 A C 1.433 179.083 177.584 0.111 0.000 1.632 68 A CA 0.246 52.342 52.037 0.099 0.000 1.337 68 A CB -0.263 18.816 19.000 0.133 0.000 1.111 68 A HN 0.373 nan 8.150 nan 0.000 0.569 69 S N 1.160 116.873 115.700 0.020 0.000 2.501 69 S HA 0.032 4.502 4.470 0.000 0.000 0.220 69 S C 0.473 175.058 174.600 -0.025 0.000 0.997 69 S CA 0.297 58.491 58.200 -0.009 0.000 0.919 69 S CB -0.476 62.701 63.200 -0.039 0.000 0.778 69 S HN 0.923 nan 8.310 nan 0.000 0.523 70 N N -1.273 117.408 118.700 -0.033 0.000 2.416 70 N HA 0.672 5.412 4.740 0.000 0.000 0.276 70 N C 0.376 175.856 175.510 -0.050 0.000 1.261 70 N CA -0.391 52.630 53.050 -0.049 0.000 0.790 70 N CB 1.058 39.514 38.487 -0.052 0.000 1.554 70 N HN -0.061 nan 8.380 nan 0.000 0.481 71 A N 0.564 123.366 122.820 -0.030 0.000 2.015 71 A HA -0.082 4.239 4.320 0.000 0.000 0.219 71 A C 0.862 178.423 177.584 -0.038 0.000 1.163 71 A CA 0.809 52.841 52.037 -0.008 0.000 0.646 71 A CB -0.693 18.350 19.000 0.073 0.000 0.806 71 A HN 0.735 nan 8.150 nan 0.000 0.448 72 N N 1.039 119.707 118.700 -0.054 0.000 2.415 72 N HA 0.223 4.963 4.740 0.000 0.000 0.250 72 N C 0.545 175.924 175.510 -0.219 0.000 1.127 72 N CA -0.032 52.956 53.050 -0.103 0.000 0.945 72 N CB 0.531 38.978 38.487 -0.067 0.000 1.196 72 N HN 0.355 nan 8.380 nan 0.000 0.499 73 L N 2.330 123.340 121.223 -0.356 0.000 2.376 73 L HA 0.014 4.354 4.340 0.000 0.000 0.219 73 L C 2.225 178.533 176.870 -0.936 0.000 1.133 73 L CA 0.706 55.178 54.840 -0.613 0.000 0.816 73 L CB -0.203 41.414 42.059 -0.737 0.000 0.933 73 L HN 0.536 nan 8.230 nan 0.000 0.449 74 G N -0.390 107.929 108.800 -0.803 0.000 2.433 74 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 74 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 74 G C 1.559 176.305 174.900 -0.257 0.000 1.186 74 G CA 0.811 45.612 45.100 -0.498 0.000 0.779 74 G HN 0.174 nan 8.290 nan 0.000 0.543 75 V N 0.873 120.675 119.914 -0.185 0.000 2.871 75 V HA -0.054 4.066 4.120 0.000 0.000 0.256 75 V C 2.402 178.431 176.094 -0.110 0.000 1.082 75 V CA 1.903 64.138 62.300 -0.107 0.000 1.105 75 V CB -0.330 31.453 31.823 -0.068 0.000 0.713 75 V HN 0.477 nan 8.190 nan 0.000 0.473 76 N N 0.203 118.808 118.700 -0.159 0.000 2.188 76 N HA -0.093 4.648 4.740 0.000 0.000 0.184 76 N C 1.793 177.239 175.510 -0.106 0.000 1.018 76 N CA 1.431 54.404 53.050 -0.129 0.000 0.858 76 N CB -0.230 38.164 38.487 -0.155 0.000 0.989 76 N HN 0.471 nan 8.380 nan 0.000 0.426 77 A N -0.530 122.205 122.820 -0.140 0.000 1.930 77 A HA -0.099 4.221 4.320 0.000 0.000 0.217 77 A C 2.129 179.698 177.584 -0.024 0.000 1.175 77 A CA 1.891 53.889 52.037 -0.066 0.000 0.627 77 A CB -1.142 17.827 19.000 -0.052 0.000 0.815 77 A HN 0.536 nan 8.150 nan 0.000 0.443 78 T N -0.770 113.762 114.554 -0.036 0.000 3.148 78 T HA 0.076 4.426 4.350 0.000 0.000 0.253 78 T C 0.824 175.517 174.700 -0.012 0.000 1.134 78 T CA 0.351 62.443 62.100 -0.013 0.000 1.051 78 T CB -0.585 68.275 68.868 -0.014 0.000 0.959 78 T HN 0.728 nan 8.240 nan 0.000 0.525 79 Q N 1.494 121.282 119.800 -0.020 0.000 2.340 79 Q HA 0.388 4.728 4.340 0.000 0.000 0.249 79 Q C -2.803 173.193 176.000 -0.006 0.000 0.957 79 Q CA -2.232 53.561 55.803 -0.016 0.000 0.882 79 Q CB 0.046 28.770 28.738 -0.025 0.000 1.235 79 Q HN 0.081 nan 8.270 nan 0.000 0.439 80 P HA -0.036 nan 4.420 nan 0.000 0.266 80 P C -0.172 177.130 177.300 0.003 0.000 1.195 80 P CA -0.090 63.011 63.100 0.001 0.000 0.768 80 P CB 0.541 32.240 31.700 -0.002 0.000 0.838 81 N N 2.759 121.465 118.700 0.010 0.000 2.036 81 N HA -0.178 4.562 4.740 0.000 0.000 0.195 81 N C 1.566 177.081 175.510 0.007 0.000 1.037 81 N CA 1.097 54.156 53.050 0.015 0.000 0.855 81 N CB -0.889 37.612 38.487 0.024 0.000 1.033 81 N HN 0.465 nan 8.380 nan 0.000 0.423 82 I N 0.749 121.321 120.570 0.005 0.000 2.286 82 I HA -0.180 3.990 4.170 0.000 0.000 0.248 82 I C 1.701 177.815 176.117 -0.007 0.000 1.115 82 I CA 1.205 62.505 61.300 -0.000 0.000 1.392 82 I CB -0.436 37.564 38.000 -0.001 0.000 1.065 82 I HN 0.113 nan 8.210 nan 0.000 0.418 83 L N 0.976 122.194 121.223 -0.008 0.000 2.109 83 L HA -0.110 4.230 4.340 0.000 0.000 0.207 83 L C 2.882 179.742 176.870 -0.017 0.000 1.086 83 L CA 1.157 55.989 54.840 -0.013 0.000 0.760 83 L CB -0.575 41.476 42.059 -0.013 0.000 0.910 83 L HN 0.301 nan 8.230 nan 0.000 0.437 84 A N -0.123 122.689 122.820 -0.013 0.000 1.933 84 A HA -0.165 4.155 4.320 0.000 0.000 0.218 84 A C 2.483 180.056 177.584 -0.018 0.000 1.175 84 A CA 1.634 53.661 52.037 -0.016 0.000 0.628 84 A CB -0.578 18.417 19.000 -0.008 0.000 0.814 84 A HN 0.419 nan 8.150 nan 0.000 0.444 85 A N 0.238 123.050 122.820 -0.013 0.000 1.858 85 A HA -0.052 4.268 4.320 0.000 0.000 0.216 85 A C 1.973 179.541 177.584 -0.027 0.000 1.190 85 A CA 1.634 53.661 52.037 -0.017 0.000 0.617 85 A CB -0.569 18.425 19.000 -0.010 0.000 0.827 85 A HN 0.375 nan 8.150 nan 0.000 0.443 86 I N -0.015 120.539 120.570 -0.025 0.000 2.145 86 I HA -0.248 3.922 4.170 0.000 0.000 0.244 86 I C 2.475 178.568 176.117 -0.040 0.000 1.075 86 I CA 1.639 62.921 61.300 -0.030 0.000 1.332 86 I CB -1.369 36.615 38.000 -0.026 0.000 1.033 86 I HN 0.343 nan 8.210 nan 0.000 0.410 87 R N 0.449 120.924 120.500 -0.041 0.000 2.237 87 R HA -0.081 4.259 4.340 0.000 0.000 0.219 87 R C 2.313 178.570 176.300 -0.071 0.000 1.080 87 R CA 1.272 57.341 56.100 -0.052 0.000 0.995 87 R CB -0.156 30.116 30.300 -0.047 0.000 0.875 87 R HN 0.520 nan 8.270 nan 0.000 0.462 88 S N 0.112 115.772 115.700 -0.066 0.000 2.489 88 S HA 0.009 4.479 4.470 0.000 0.000 0.228 88 S C 1.930 176.476 174.600 -0.091 0.000 0.995 88 S CA 0.281 58.430 58.200 -0.086 0.000 0.934 88 S CB -0.072 63.092 63.200 -0.061 0.000 0.771 88 S HN 0.212 nan 8.310 nan 0.000 0.522 89 L N 1.316 122.496 121.223 -0.071 0.000 1.994 89 L HA 0.024 4.365 4.340 0.000 0.000 0.208 89 L C -0.508 176.321 176.870 -0.069 0.000 1.071 89 L CA 1.379 56.181 54.840 -0.064 0.000 0.745 89 L CB -1.738 40.291 42.059 -0.050 0.000 0.892 89 L HN 0.272 nan 8.230 nan 0.000 0.431 90 P HA -0.174 nan 4.420 nan 0.000 0.215 90 P C 1.811 179.052 177.300 -0.099 0.000 1.153 90 P CA 1.480 64.535 63.100 -0.075 0.000 0.853 90 P CB 0.030 31.686 31.700 -0.075 0.000 0.788 91 I N -1.454 119.025 120.570 -0.152 0.000 2.208 91 I HA -0.247 3.923 4.170 0.000 0.000 0.245 91 I C 2.321 178.342 176.117 -0.161 0.000 1.097 91 I CA 1.400 62.554 61.300 -0.243 0.000 1.363 91 I CB -0.564 37.187 38.000 -0.415 0.000 1.051 91 I HN -0.086 nan 8.210 nan 0.000 0.413 92 L N -0.012 121.143 121.223 -0.112 0.000 2.093 92 L HA -0.228 4.112 4.340 0.000 0.000 0.208 92 L C 2.167 179.019 176.870 -0.031 0.000 1.085 92 L CA 1.351 56.152 54.840 -0.065 0.000 0.755 92 L CB -0.445 41.579 42.059 -0.058 0.000 0.904 92 L HN 0.251 nan 8.230 nan 0.000 0.435 93 D N -0.222 120.156 120.400 -0.036 0.000 2.117 93 D HA -0.143 4.497 4.640 0.000 0.000 0.198 93 D C 2.154 178.457 176.300 0.005 0.000 0.982 93 D CA 1.287 55.278 54.000 -0.016 0.000 0.828 93 D CB 0.163 40.948 40.800 -0.025 0.000 0.967 93 D HN 0.236 nan 8.370 nan 0.000 0.464 94 A N -0.049 122.768 122.820 -0.004 0.000 1.933 94 A HA -0.132 4.188 4.320 0.000 0.000 0.218 94 A C 2.303 179.936 177.584 0.082 0.000 1.175 94 A CA 1.220 53.270 52.037 0.022 0.000 0.628 94 A CB -0.567 18.430 19.000 -0.006 0.000 0.814 94 A HN 0.273 nan 8.150 nan 0.000 0.444 95 M N -1.335 118.312 119.600 0.078 0.000 2.117 95 M HA -0.137 4.343 4.480 0.000 0.000 0.262 95 M C 2.185 178.645 176.300 0.266 0.000 1.065 95 M CA 1.524 56.922 55.300 0.163 0.000 1.114 95 M CB -0.333 32.310 32.600 0.072 0.000 1.361 95 M HN 0.491 nan 8.290 nan 0.000 0.408 96 L N 0.250 121.563 121.223 0.149 0.000 2.056 96 L HA -0.133 4.207 4.340 0.000 0.000 0.207 96 L C 2.550 179.476 176.870 0.093 0.000 1.078 96 L CA 2.188 57.099 54.840 0.117 0.000 0.749 96 L CB -0.715 41.376 42.059 0.053 0.000 0.901 96 L HN 0.347 nan 8.230 nan 0.000 0.433 97 S N -1.270 114.480 115.700 0.082 0.000 2.474 97 S HA -0.108 4.362 4.470 0.000 0.000 0.235 97 S C 1.914 176.567 174.600 0.087 0.000 0.997 97 S CA 0.473 58.707 58.200 0.056 0.000 0.949 97 S CB -0.595 62.628 63.200 0.038 0.000 0.766 97 S HN 0.535 nan 8.310 nan 0.000 0.517 98 R N 0.568 121.177 120.500 0.182 0.000 2.310 98 R HA 0.255 4.595 4.340 0.000 0.000 0.202 98 R C 1.543 177.954 176.300 0.185 0.000 0.933 98 R CA 0.492 56.743 56.100 0.253 0.000 1.054 98 R CB -0.007 30.557 30.300 0.439 0.000 0.985 98 R HN 0.626 nan 8.270 nan 0.000 0.489 99 G N 0.278 109.091 108.800 0.022 0.000 2.218 99 G HA2 -0.240 3.720 3.960 0.000 0.000 0.216 99 G HA3 -0.240 3.720 3.960 0.000 0.000 0.216 99 G C -0.040 174.612 174.900 -0.413 0.000 0.994 99 G CA -0.679 44.214 45.100 -0.345 0.000 0.637 99 G HN 0.176 nan 8.290 nan 0.000 0.505 100 F N 2.726 122.737 119.950 0.101 0.000 2.466 100 F HA 0.450 4.977 4.527 0.000 0.000 0.363 100 F C 1.865 177.687 175.800 0.037 0.000 1.109 100 F CA 0.881 58.954 58.000 0.121 0.000 1.161 100 F CB 1.426 40.530 39.000 0.173 0.000 1.117 100 F HN 0.102 nan 8.300 nan 0.000 0.539 101 T N -2.338 112.293 114.554 0.129 0.000 3.022 101 T HA 0.220 4.571 4.350 0.000 0.000 0.250 101 T C 0.504 175.276 174.700 0.120 0.000 1.060 101 T CA -0.067 62.076 62.100 0.072 0.000 1.013 101 T CB 0.146 69.008 68.868 -0.010 0.000 0.982 101 T HN 0.312 nan 8.240 nan 0.000 0.508 102 S N 0.829 116.651 115.700 0.203 0.000 2.548 102 S HA 0.707 5.177 4.470 0.000 0.000 0.276 102 S C -0.953 173.818 174.600 0.285 0.000 1.129 102 S CA -0.780 57.571 58.200 0.251 0.000 0.931 102 S CB 2.263 65.667 63.200 0.340 0.000 1.068 102 S HN 0.600 nan 8.310 nan 0.000 0.480 103 V N 0.792 120.866 119.914 0.266 0.000 2.876 103 V HA 0.726 4.846 4.120 0.000 0.000 0.312 103 V C -0.687 175.564 176.094 0.262 0.000 1.085 103 V CA -1.161 61.264 62.300 0.208 0.000 0.945 103 V CB 1.915 33.798 31.823 0.101 0.000 1.017 103 V HN 0.871 nan 8.190 nan 0.000 0.428 104 R N 2.443 123.038 120.500 0.158 0.000 2.272 104 R HA 0.315 4.655 4.340 0.000 0.000 0.323 104 R C -0.592 175.699 176.300 -0.015 0.000 1.002 104 R CA -0.389 55.787 56.100 0.127 0.000 0.900 104 R CB 0.624 30.941 30.300 0.029 0.000 1.151 104 R HN 1.028 nan 8.270 nan 0.000 0.507 105 D N 3.011 123.397 120.400 -0.023 0.000 2.351 105 D HA 0.061 4.701 4.640 0.000 0.000 0.251 105 D C -0.360 175.797 176.300 -0.238 0.000 1.137 105 D CA 0.133 54.050 54.000 -0.139 0.000 0.879 105 D CB 1.443 42.200 40.800 -0.072 0.000 1.181 105 D HN 0.659 nan 8.370 nan 0.000 0.448 106 A N 3.059 125.584 122.820 -0.492 0.000 3.012 106 A HA 0.550 4.870 4.320 0.000 0.000 0.295 106 A C 0.589 178.042 177.584 -0.219 0.000 1.338 106 A CA 0.251 51.984 52.037 -0.508 0.000 0.981 106 A CB -0.377 17.971 19.000 -1.086 0.000 1.091 106 A HN 0.733 nan 8.150 nan 0.000 0.602 107 G N -1.953 106.793 108.800 -0.089 0.000 3.101 107 G HA2 0.490 4.450 3.960 0.000 0.000 0.672 107 G HA3 0.490 4.450 3.960 0.000 0.000 0.672 107 G C 0.535 175.499 174.900 0.107 0.000 1.331 107 G CA 0.220 45.349 45.100 0.048 0.000 0.925 107 G HN 2.095 nan 8.290 nan 0.000 0.596 108 G N 0.684 109.510 108.800 0.044 0.000 2.882 108 G HA2 0.413 4.373 3.960 0.000 0.000 0.198 108 G HA3 0.413 4.373 3.960 0.000 0.000 0.198 108 G C 1.180 176.091 174.900 0.018 0.000 1.977 108 G CA 1.319 46.446 45.100 0.045 0.000 1.541 108 G HN 2.604 nan 8.290 nan 0.000 0.567 109 A N 1.709 124.536 122.820 0.012 0.000 2.498 109 A HA 0.534 4.854 4.320 0.000 0.000 0.239 109 A C 0.365 177.955 177.584 0.009 0.000 1.068 109 A CA 1.404 53.441 52.037 0.001 0.000 0.766 109 A CB -0.017 18.975 19.000 -0.013 0.000 1.003 109 A HN 1.252 nan 8.150 nan 0.000 0.497 110 D N 0.066 120.481 120.400 0.024 0.000 2.585 110 D HA 0.160 4.800 4.640 0.000 0.000 0.254 110 D C 0.563 176.925 176.300 0.105 0.000 1.067 110 D CA -0.872 53.172 54.000 0.073 0.000 1.090 110 D CB -0.132 40.724 40.800 0.093 0.000 1.408 110 D HN 0.553 nan 8.370 nan 0.000 0.554 111 W N 0.885 122.166 121.300 -0.033 0.000 2.350 111 W HA -0.190 4.470 4.660 0.000 0.000 0.289 111 W C 1.732 178.230 176.519 -0.035 0.000 1.215 111 W CA 2.558 59.882 57.345 -0.036 0.000 1.236 111 W CB -0.170 29.273 29.460 -0.027 0.000 1.130 111 W HN 0.363 nan 8.180 nan 0.000 0.541 112 S N 0.659 116.395 115.700 0.060 0.000 2.368 112 S HA -0.234 4.236 4.470 0.000 0.000 0.224 112 S C 1.923 176.401 174.600 -0.204 0.000 1.029 112 S CA 1.366 59.489 58.200 -0.129 0.000 0.988 112 S CB -0.958 62.273 63.200 0.052 0.000 0.838 112 S HN 0.365 nan 8.310 nan 0.000 0.462 113 L N 1.033 122.183 121.223 -0.121 0.000 2.046 113 L HA -0.065 4.275 4.340 0.000 0.000 0.208 113 L C 2.687 179.448 176.870 -0.180 0.000 1.077 113 L CA 1.507 56.273 54.840 -0.123 0.000 0.747 113 L CB -0.390 41.625 42.059 -0.073 0.000 0.896 113 L HN 0.432 nan 8.230 nan 0.000 0.432 114 M N -0.956 118.511 119.600 -0.222 0.000 2.108 114 M HA -0.272 4.208 4.480 0.000 0.000 0.261 114 M C 2.196 178.285 176.300 -0.351 0.000 1.066 114 M CA 1.717 56.852 55.300 -0.274 0.000 1.107 114 M CB -0.104 32.329 32.600 -0.279 0.000 1.356 114 M HN 0.244 nan 8.290 nan 0.000 0.406 115 Q N 0.190 119.684 119.800 -0.510 0.000 2.119 115 Q HA -0.051 4.289 4.340 0.000 0.000 0.201 115 Q C 2.203 178.020 176.000 -0.305 0.000 0.972 115 Q CA 1.771 57.266 55.803 -0.513 0.000 0.847 115 Q CB -0.670 27.594 28.738 -0.790 0.000 0.903 115 Q HN 0.718 nan 8.270 nan 0.000 0.433 116 A N 0.851 123.522 122.820 -0.248 0.000 1.908 116 A HA -0.153 4.167 4.320 0.000 0.000 0.218 116 A C 2.288 179.791 177.584 -0.134 0.000 1.181 116 A CA 2.065 54.006 52.037 -0.161 0.000 0.627 116 A CB -0.837 18.087 19.000 -0.127 0.000 0.818 116 A HN 0.307 nan 8.150 nan 0.000 0.445 117 V N -2.466 117.363 119.914 -0.142 0.000 2.453 117 V HA -0.113 4.007 4.120 0.000 0.000 0.247 117 V C 1.846 177.870 176.094 -0.117 0.000 1.048 117 V CA 2.288 64.519 62.300 -0.114 0.000 1.049 117 V CB -0.782 30.978 31.823 -0.105 0.000 0.672 117 V HN 0.566 nan 8.190 nan 0.000 0.457 118 E N 1.041 121.151 120.200 -0.150 0.000 2.208 118 E HA -0.094 4.256 4.350 0.000 0.000 0.193 118 E C 2.069 178.603 176.600 -0.110 0.000 0.988 118 E CA 1.497 57.816 56.400 -0.136 0.000 0.828 118 E CB -0.074 29.526 29.700 -0.167 0.000 0.763 118 E HN 0.897 nan 8.360 nan 0.000 0.478 119 T N -3.361 111.123 114.554 -0.118 0.000 3.144 119 T HA 0.246 4.596 4.350 0.000 0.000 0.249 119 T C 1.370 176.027 174.700 -0.071 0.000 1.089 119 T CA 0.316 62.363 62.100 -0.089 0.000 0.989 119 T CB 0.623 69.435 68.868 -0.094 0.000 0.992 119 T HN 0.198 nan 8.240 nan 0.000 0.540 120 G N 1.061 109.817 108.800 -0.072 0.000 2.155 120 G HA2 -0.250 3.710 3.960 0.000 0.000 0.257 120 G HA3 -0.250 3.710 3.960 0.000 0.000 0.257 120 G C 0.500 175.369 174.900 -0.053 0.000 0.983 120 G CA 0.364 45.430 45.100 -0.056 0.000 0.676 120 G HN 0.517 nan 8.290 nan 0.000 0.528 121 L N -0.669 120.516 121.223 -0.063 0.000 2.291 121 L HA 0.472 4.812 4.340 0.000 0.000 0.214 121 L C 1.111 177.950 176.870 -0.052 0.000 1.120 121 L CA 1.257 56.064 54.840 -0.056 0.000 0.799 121 L CB 0.392 42.413 42.059 -0.065 0.000 0.925 121 L HN 0.233 nan 8.230 nan 0.000 0.446 122 V N -1.574 118.305 119.914 -0.059 0.000 2.851 122 V HA 0.296 4.416 4.120 0.000 0.000 0.307 122 V C -0.466 175.598 176.094 -0.051 0.000 1.129 122 V CA -0.764 61.504 62.300 -0.054 0.000 0.932 122 V CB 2.147 33.934 31.823 -0.061 0.000 1.024 122 V HN -0.040 nan 8.190 nan 0.000 0.426 123 S N 2.663 118.339 115.700 -0.041 0.000 2.489 123 S HA 0.828 5.298 4.470 0.000 0.000 0.277 123 S C 0.172 174.753 174.600 -0.031 0.000 1.230 123 S CA 0.586 58.766 58.200 -0.033 0.000 1.053 123 S CB 0.547 63.732 63.200 -0.025 0.000 0.955 123 S HN 1.466 nan 8.310 nan 0.000 0.488 124 G N 4.653 113.437 108.800 -0.025 0.000 2.313 124 G HA2 0.387 4.347 3.960 0.000 0.000 0.296 124 G HA3 0.387 4.347 3.960 0.000 0.000 0.296 124 G C -3.612 171.284 174.900 -0.006 0.000 1.356 124 G CA -0.871 44.220 45.100 -0.014 0.000 0.833 124 G HN 0.497 nan 8.290 nan 0.000 0.552 125 P HA 0.356 nan 4.420 nan 0.000 0.274 125 P C -0.112 177.179 177.300 -0.015 0.000 1.246 125 P CA -0.545 62.577 63.100 0.036 0.000 0.795 125 P CB 0.518 32.276 31.700 0.096 0.000 1.006 126 R N 1.748 122.232 120.500 -0.026 0.000 2.570 126 R HA 0.191 4.531 4.340 0.000 0.000 0.277 126 R C -0.541 175.667 176.300 -0.153 0.000 1.039 126 R CA 0.161 56.184 56.100 -0.128 0.000 1.065 126 R CB -0.427 29.779 30.300 -0.157 0.000 0.964 126 R HN 0.403 nan 8.270 nan 0.000 0.428 127 I N 4.687 125.100 120.570 -0.262 0.000 2.412 127 I HA 0.240 4.411 4.170 0.000 0.000 0.296 127 I C -0.714 175.177 176.117 -0.375 0.000 0.987 127 I CA -0.679 60.509 61.300 -0.186 0.000 1.180 127 I CB 1.499 39.429 38.000 -0.117 0.000 1.340 127 I HN 0.544 nan 8.210 nan 0.000 0.455 128 F N 6.682 126.625 119.950 -0.012 0.000 2.310 128 F HA 0.358 4.886 4.527 0.000 0.000 0.365 128 F C -2.198 173.587 175.800 -0.025 0.000 1.080 128 F CA -2.201 55.796 58.000 -0.005 0.000 1.187 128 F CB 0.692 39.698 39.000 0.010 0.000 1.465 128 F HN 0.172 nan 8.300 nan 0.000 0.496 129 P HA 0.181 nan 4.420 nan 0.000 0.279 129 P C 0.142 177.454 177.300 0.020 0.000 1.239 129 P CA -0.227 62.894 63.100 0.035 0.000 0.789 129 P CB 1.794 33.513 31.700 0.031 0.000 0.933 130 S N 1.044 116.732 115.700 -0.020 0.000 2.548 130 S HA 0.247 4.717 4.470 0.000 0.000 0.215 130 S C 1.355 175.928 174.600 -0.044 0.000 0.976 130 S CA 0.554 58.724 58.200 -0.050 0.000 0.908 130 S CB -0.584 62.570 63.200 -0.076 0.000 0.781 130 S HN 0.868 nan 8.310 nan 0.000 0.519 131 G N 2.188 110.972 108.800 -0.026 0.000 2.609 131 G HA2 -0.273 3.687 3.960 0.000 0.000 0.288 131 G HA3 -0.273 3.687 3.960 0.000 0.000 0.288 131 G C -0.369 174.490 174.900 -0.069 0.000 1.211 131 G CA 0.050 45.125 45.100 -0.040 0.000 0.963 131 G HN 0.434 nan 8.290 nan 0.000 0.541 132 K N 1.068 121.400 120.400 -0.113 0.000 2.316 132 K HA 0.694 5.014 4.320 0.000 0.000 0.251 132 K C 0.239 176.798 176.600 -0.069 0.000 0.934 132 K CA -0.170 56.047 56.287 -0.116 0.000 0.802 132 K CB 2.234 34.585 32.500 -0.247 0.000 1.171 132 K HN 0.971 nan 8.250 nan 0.000 0.426 133 A N 3.381 126.190 122.820 -0.017 0.000 2.498 133 A HA 0.174 4.494 4.320 0.000 0.000 0.239 133 A C 0.052 177.648 177.584 0.020 0.000 1.068 133 A CA -0.139 51.910 52.037 0.019 0.000 0.766 133 A CB -0.107 18.931 19.000 0.064 0.000 1.003 133 A HN 0.647 nan 8.150 nan 0.000 0.497 134 L N 2.179 123.438 121.223 0.060 0.000 2.305 134 L HA 0.490 4.830 4.340 0.000 0.000 0.281 134 L C 0.662 177.650 176.870 0.196 0.000 1.085 134 L CA -0.058 54.858 54.840 0.125 0.000 0.813 134 L CB 1.228 43.364 42.059 0.128 0.000 1.157 134 L HN 0.716 nan 8.230 nan 0.000 0.436 135 S N 2.102 117.885 115.700 0.139 0.000 2.541 135 S HA 0.395 4.865 4.470 0.000 0.000 0.280 135 S C -0.662 173.874 174.600 -0.107 0.000 1.112 135 S CA -0.893 57.293 58.200 -0.023 0.000 0.925 135 S CB 1.770 64.904 63.200 -0.111 0.000 1.067 135 S HN 0.651 nan 8.310 nan 0.000 0.479 136 Q N 2.059 121.553 119.800 -0.509 0.000 2.535 136 Q HA 0.382 4.722 4.340 0.000 0.000 0.228 136 Q C -0.309 175.581 176.000 -0.183 0.000 1.062 136 Q CA -0.359 55.218 55.803 -0.376 0.000 0.967 136 Q CB -0.264 28.119 28.738 -0.592 0.000 1.273 136 Q HN 0.495 nan 8.270 nan 0.000 0.554 137 T N 0.908 115.401 114.554 -0.101 0.000 2.902 137 T HA 0.331 4.681 4.350 0.000 0.000 0.301 137 T C 0.996 175.643 174.700 -0.088 0.000 1.012 137 T CA 0.902 62.959 62.100 -0.070 0.000 1.151 137 T CB 0.036 68.885 68.868 -0.030 0.000 0.946 137 T HN 0.963 nan 8.240 nan 0.000 0.542 138 G N 2.590 111.337 108.800 -0.088 0.000 2.148 138 G HA2 -0.166 3.794 3.960 0.000 0.000 0.254 138 G HA3 -0.166 3.794 3.960 0.000 0.000 0.254 138 G C 0.498 175.335 174.900 -0.105 0.000 0.981 138 G CA -0.023 45.027 45.100 -0.082 0.000 0.670 138 G HN 1.114 nan 8.290 nan 0.000 0.528 139 G N -1.826 106.884 108.800 -0.150 0.000 2.532 139 G HA2 0.466 4.426 3.960 0.000 0.000 0.291 139 G HA3 0.466 4.426 3.960 0.000 0.000 0.291 139 G C 0.545 175.345 174.900 -0.167 0.000 1.349 139 G CA 0.410 45.418 45.100 -0.153 0.000 1.038 139 G HN 0.522 nan 8.290 nan 0.000 0.518 140 H N -1.114 117.818 119.070 -0.231 0.000 2.545 140 H HA 0.051 4.607 4.556 0.000 0.000 0.282 140 H C 2.169 177.234 175.328 -0.439 0.000 1.020 140 H CA 1.604 57.492 56.048 -0.268 0.000 1.243 140 H CB 0.021 29.632 29.762 -0.253 0.000 1.377 140 H HN 0.412 nan 8.280 nan 0.000 0.581 141 G N -1.184 107.314 108.800 -0.503 0.000 3.159 141 G HA2 -0.032 3.928 3.960 0.000 0.000 0.232 141 G HA3 -0.032 3.928 3.960 0.000 0.000 0.232 141 G C -0.211 174.225 174.900 -0.774 0.000 1.116 141 G CA -0.110 44.596 45.100 -0.657 0.000 0.767 141 G HN 0.275 nan 8.290 nan 0.000 0.547 142 D N 0.334 120.362 120.400 -0.620 0.000 2.347 142 D HA 0.274 4.914 4.640 0.000 0.000 0.235 142 D C -0.194 175.803 176.300 -0.505 0.000 1.149 142 D CA -0.740 53.011 54.000 -0.415 0.000 0.850 142 D CB 0.665 41.338 40.800 -0.211 0.000 1.061 142 D HN 0.040 nan 8.370 nan 0.000 0.487 143 F N 2.169 122.096 119.950 -0.040 0.000 2.641 143 F HA 0.260 4.787 4.527 0.000 0.000 0.302 143 F C 1.224 177.013 175.800 -0.018 0.000 1.098 143 F CA -0.429 57.548 58.000 -0.038 0.000 1.318 143 F CB 0.105 39.078 39.000 -0.046 0.000 1.035 143 F HN -0.015 nan 8.300 nan 0.000 0.551 144 R N 2.405 122.959 120.500 0.089 0.000 2.491 144 R HA 0.182 4.522 4.340 0.000 0.000 0.283 144 R C -2.170 174.160 176.300 0.050 0.000 1.072 144 R CA -1.514 54.626 56.100 0.065 0.000 1.048 144 R CB -0.158 30.163 30.300 0.035 0.000 0.983 144 R HN -0.049 nan 8.270 nan 0.000 0.450 145 P HA 0.032 nan 4.420 nan 0.000 0.272 145 P C -0.464 176.850 177.300 0.024 0.000 1.240 145 P CA -0.364 62.758 63.100 0.037 0.000 0.791 145 P CB 0.678 32.398 31.700 0.034 0.000 0.978 151 E N 1.728 121.935 120.200 0.011 0.000 3.222 151 E HA 0.216 4.566 4.350 0.000 0.000 0.263 151 E C -2.309 174.298 176.600 0.013 0.000 1.153 151 E CA 0.054 56.461 56.400 0.011 0.000 1.762 151 E CB -0.660 29.046 29.700 0.009 0.000 2.444 151 E HN 0.491 nan 8.360 nan 0.000 0.980 152 P HA -0.133 nan 4.420 nan 0.000 0.251 152 P C 0.251 177.558 177.300 0.012 0.000 1.105 152 P CA 0.542 63.648 63.100 0.010 0.000 0.775 152 P CB -0.192 31.512 31.700 0.007 0.000 0.689 153 C N 2.760 122.068 119.300 0.014 0.000 2.672 153 C HA 0.306 4.766 4.460 0.000 0.000 0.317 153 C C 2.216 177.214 174.990 0.013 0.000 2.142 153 C CA 0.298 59.328 59.018 0.020 0.000 1.910 153 C CB 0.572 28.330 27.740 0.029 0.000 1.919 153 C HN 0.705 nan 8.230 nan 0.000 0.515 154 S N -1.823 113.887 115.700 0.017 0.000 3.066 154 S HA 0.082 4.552 4.470 0.000 0.000 0.235 154 S C 0.721 175.297 174.600 -0.039 0.000 0.995 154 S CA 0.776 58.981 58.200 0.008 0.000 0.835 154 S CB -0.312 62.915 63.200 0.044 0.000 0.814 154 S HN 0.958 nan 8.310 nan 0.000 0.594 155 C N 1.966 121.224 119.300 -0.069 0.000 4.114 155 C HA -0.164 4.296 4.460 0.000 0.000 0.300 155 C C 0.100 174.904 174.990 -0.309 0.000 1.423 155 C CA -0.236 58.649 59.018 -0.221 0.000 2.034 155 C CB -2.774 24.877 27.740 -0.149 0.000 1.299 155 C HN 0.647 nan 8.230 nan 0.000 0.727 156 C N 0.942 120.080 119.300 -0.270 0.000 2.516 156 C HA 0.528 4.989 4.460 0.000 0.000 0.338 156 C C -0.122 174.794 174.990 -0.124 0.000 1.132 156 C CA -0.636 58.211 59.018 -0.285 0.000 1.310 156 C CB 0.550 28.213 27.740 -0.128 0.000 1.898 156 C HN 0.523 nan 8.230 nan 0.000 0.452 157 F N 6.057 126.018 119.950 0.019 0.000 2.462 157 F HA 0.301 4.828 4.527 0.000 0.000 0.360 157 F C 1.308 177.121 175.800 0.022 0.000 1.134 157 F CA -0.464 57.550 58.000 0.024 0.000 1.148 157 F CB 0.457 39.472 39.000 0.025 0.000 1.147 157 F HN 0.377 nan 8.300 nan 0.000 0.550 158 R N 1.571 122.203 120.500 0.220 0.000 2.522 158 R HA 0.009 4.349 4.340 0.000 0.000 0.284 158 R C 1.234 177.598 176.300 0.107 0.000 1.032 158 R CA 0.162 56.336 56.100 0.124 0.000 1.049 158 R CB -0.011 30.344 30.300 0.093 0.000 0.956 158 R HN 0.666 nan 8.270 nan 0.000 0.422 159 T N -1.315 113.284 114.554 0.074 0.000 3.118 159 T HA -0.021 4.329 4.350 0.000 0.000 0.260 159 T C 1.543 176.263 174.700 0.033 0.000 1.139 159 T CA 0.812 62.946 62.100 0.056 0.000 1.085 159 T CB 0.180 69.075 68.868 0.045 0.000 0.934 159 T HN 0.655 nan 8.240 nan 0.000 0.518 160 G N 0.580 109.395 108.800 0.026 0.000 3.088 160 G HA2 0.517 4.477 3.960 0.000 0.000 0.217 160 G HA3 0.517 4.477 3.960 0.000 0.000 0.217 160 G C 0.489 175.389 174.900 0.001 0.000 1.159 160 G CA -0.067 45.036 45.100 0.005 0.000 0.760 160 G HN 0.757 nan 8.290 nan 0.000 0.550 161 A N 0.815 123.652 122.820 0.029 0.000 2.409 161 A HA 0.531 4.851 4.320 0.000 0.000 0.267 161 A C 1.241 178.851 177.584 0.044 0.000 1.127 161 A CA -0.457 51.607 52.037 0.045 0.000 0.795 161 A CB 0.442 19.494 19.000 0.086 0.000 1.061 161 A HN 0.063 nan 8.150 nan 0.000 0.502 162 I N 1.232 121.843 120.570 0.070 0.000 2.439 162 I HA -0.015 4.155 4.170 0.000 0.000 0.251 162 I C 1.445 177.611 176.117 0.082 0.000 1.139 162 I CA 1.745 63.101 61.300 0.094 0.000 1.438 162 I CB -1.389 36.662 38.000 0.085 0.000 1.085 162 I HN 0.695 nan 8.210 nan 0.000 0.427 163 A N 0.868 123.739 122.820 0.086 0.000 2.524 163 A HA 0.814 5.134 4.320 0.000 0.000 0.286 163 A C -0.274 177.306 177.584 -0.006 0.000 1.203 163 A CA -0.681 51.371 52.037 0.025 0.000 0.736 163 A CB 1.688 20.693 19.000 0.009 0.000 1.322 163 A HN 0.233 nan 8.150 nan 0.000 0.424 164 R N -0.564 119.920 120.500 -0.026 0.000 2.771 164 R HA 0.747 5.087 4.340 0.000 0.000 0.274 164 R C -1.905 174.424 176.300 0.048 0.000 0.987 164 R CA -0.731 55.380 56.100 0.018 0.000 0.908 164 R CB 1.611 31.876 30.300 -0.058 0.000 1.213 164 R HN 0.326 nan 8.270 nan 0.000 0.468 165 V N 2.489 122.451 119.914 0.080 0.000 2.370 165 V HA 0.470 4.590 4.120 0.000 0.000 0.279 165 V C -0.292 175.859 176.094 0.096 0.000 1.029 165 V CA -0.414 61.920 62.300 0.058 0.000 0.870 165 V CB 1.202 33.041 31.823 0.027 0.000 0.984 165 V HN 0.645 nan 8.190 nan 0.000 0.451 166 V N 1.703 121.690 119.914 0.123 0.000 2.891 166 V HA 0.763 4.883 4.120 0.000 0.000 0.304 166 V C -1.400 174.823 176.094 0.214 0.000 1.171 166 V CA -0.900 61.486 62.300 0.144 0.000 0.943 166 V CB 2.135 34.038 31.823 0.133 0.000 1.037 166 V HN 0.748 nan 8.190 nan 0.000 0.427 167 D N 1.618 122.115 120.400 0.161 0.000 2.601 167 D HA 0.865 5.505 4.640 0.000 0.000 0.230 167 D C 0.127 176.498 176.300 0.119 0.000 1.106 167 D CA 0.560 54.672 54.000 0.187 0.000 0.873 167 D CB 1.900 42.767 40.800 0.111 0.000 1.515 167 D HN 1.549 nan 8.370 nan 0.000 0.468 168 G N -0.827 108.040 108.800 0.112 0.000 2.712 168 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 168 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 168 G C 0.496 175.409 174.900 0.021 0.000 1.181 168 G CA -0.501 44.633 45.100 0.058 0.000 0.762 168 G HN 0.424 nan 8.290 nan 0.000 0.641 169 V N 1.279 121.198 119.914 0.009 0.000 2.358 169 V HA -0.110 4.010 4.120 0.000 0.000 0.246 169 V C 2.626 178.711 176.094 -0.015 0.000 1.047 169 V CA 2.671 64.963 62.300 -0.014 0.000 1.035 169 V CB -0.364 31.455 31.823 -0.008 0.000 0.658 169 V HN 0.764 nan 8.190 nan 0.000 0.452 170 E N 0.602 120.801 120.200 -0.001 0.000 2.107 170 E HA -0.079 4.271 4.350 0.000 0.000 0.191 170 E C 2.359 178.962 176.600 0.004 0.000 0.982 170 E CA 1.256 57.656 56.400 0.000 0.000 0.809 170 E CB -0.724 28.979 29.700 0.005 0.000 0.756 170 E HN 0.587 nan 8.360 nan 0.000 0.459 171 G N 1.811 110.619 108.800 0.014 0.000 2.446 171 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 171 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 171 G C 1.829 176.737 174.900 0.014 0.000 1.168 171 G CA 1.825 46.940 45.100 0.026 0.000 0.771 171 G HN 0.313 nan 8.290 nan 0.000 0.551 172 V N -1.645 118.260 119.914 -0.016 0.000 2.548 172 V HA 0.091 4.211 4.120 0.000 0.000 0.249 172 V C 2.484 178.544 176.094 -0.056 0.000 1.055 172 V CA 1.823 64.086 62.300 -0.063 0.000 1.065 172 V CB -0.516 31.197 31.823 -0.183 0.000 0.681 172 V HN 0.260 nan 8.190 nan 0.000 0.462 173 R N -0.340 120.135 120.500 -0.042 0.000 2.070 173 R HA -0.062 4.278 4.340 0.000 0.000 0.233 173 R C 2.344 178.632 176.300 -0.020 0.000 1.137 173 R CA 1.923 58.003 56.100 -0.033 0.000 0.945 173 R CB -0.593 29.693 30.300 -0.024 0.000 0.845 173 R HN 0.550 nan 8.270 nan 0.000 0.430 174 L N 0.866 122.085 121.223 -0.007 0.000 2.012 174 L HA -0.140 4.200 4.340 0.000 0.000 0.210 174 L C 2.214 179.089 176.870 0.010 0.000 1.073 174 L CA 2.170 57.012 54.840 0.004 0.000 0.748 174 L CB -0.851 41.217 42.059 0.014 0.000 0.891 174 L HN 0.163 nan 8.230 nan 0.000 0.431 175 A N -1.094 121.733 122.820 0.012 0.000 1.883 175 A HA -0.171 4.149 4.320 0.000 0.000 0.217 175 A C 2.283 179.863 177.584 -0.006 0.000 1.186 175 A CA 2.191 54.239 52.037 0.020 0.000 0.624 175 A CB -1.194 17.820 19.000 0.023 0.000 0.822 175 A HN 0.329 nan 8.150 nan 0.000 0.444 176 V N 0.243 120.142 119.914 -0.025 0.000 2.255 176 V HA -0.334 3.786 4.120 0.000 0.000 0.247 176 V C 2.630 178.707 176.094 -0.028 0.000 1.051 176 V CA 2.402 64.680 62.300 -0.036 0.000 1.018 176 V CB -0.933 30.862 31.823 -0.046 0.000 0.641 176 V HN 0.572 nan 8.190 nan 0.000 0.445 177 R N -0.013 120.474 120.500 -0.021 0.000 2.119 177 R HA -0.253 4.087 4.340 0.000 0.000 0.246 177 R C 2.255 178.546 176.300 -0.016 0.000 1.146 177 R CA 2.125 58.214 56.100 -0.018 0.000 0.962 177 R CB -0.459 29.833 30.300 -0.013 0.000 0.863 177 R HN 0.644 nan 8.270 nan 0.000 0.442 178 E N 0.217 120.416 120.200 -0.001 0.000 2.072 178 E HA -0.160 4.190 4.350 0.000 0.000 0.191 178 E C 2.018 178.614 176.600 -0.006 0.000 0.985 178 E CA 0.802 57.208 56.400 0.011 0.000 0.801 178 E CB 0.060 29.792 29.700 0.054 0.000 0.750 178 E HN 0.255 nan 8.360 nan 0.000 0.452 179 E N 0.522 120.710 120.200 -0.019 0.000 2.106 179 E HA -0.140 4.211 4.350 0.000 0.000 0.192 179 E C 2.095 178.671 176.600 -0.039 0.000 0.984 179 E CA 0.726 57.104 56.400 -0.037 0.000 0.806 179 E CB -0.091 29.577 29.700 -0.053 0.000 0.750 179 E HN 0.311 nan 8.360 nan 0.000 0.458 180 I N 1.012 121.558 120.570 -0.040 0.000 2.233 180 I HA -0.239 3.931 4.170 0.000 0.000 0.243 180 I C 2.714 178.794 176.117 -0.061 0.000 1.093 180 I CA 0.882 62.157 61.300 -0.043 0.000 1.380 180 I CB -0.176 37.802 38.000 -0.036 0.000 1.067 180 I HN 0.043 nan 8.210 nan 0.000 0.413 181 Q N 1.480 121.242 119.800 -0.062 0.000 2.077 181 Q HA -0.284 4.056 4.340 0.000 0.000 0.206 181 Q C 2.069 177.983 176.000 -0.142 0.000 0.989 181 Q CA 1.912 57.661 55.803 -0.091 0.000 0.853 181 Q CB -0.142 28.555 28.738 -0.067 0.000 0.907 181 Q HN 0.472 nan 8.270 nan 0.000 0.418 182 K N -1.430 118.907 120.400 -0.105 0.000 2.442 182 K HA -0.060 4.260 4.320 0.000 0.000 0.198 182 K C 1.034 177.534 176.600 -0.168 0.000 1.042 182 K CA 0.656 56.867 56.287 -0.126 0.000 0.958 182 K CB 0.047 32.528 32.500 -0.031 0.000 0.766 182 K HN 0.488 nan 8.250 nan 0.000 0.474 183 G N 0.385 109.110 108.800 -0.125 0.000 2.148 183 G HA2 -0.179 3.781 3.960 0.000 0.000 0.157 183 G HA3 -0.179 3.781 3.960 0.000 0.000 0.157 183 G C 0.125 175.082 174.900 0.094 0.000 1.012 183 G CA -0.260 44.806 45.100 -0.057 0.000 0.677 183 G HN 0.419 nan 8.290 nan 0.000 0.506 184 A N 0.253 123.096 122.820 0.038 0.000 2.555 184 A HA 0.543 4.863 4.320 0.000 0.000 0.233 184 A C 1.691 179.297 177.584 0.036 0.000 1.060 184 A CA 1.800 53.855 52.037 0.029 0.000 0.759 184 A CB 0.221 19.209 19.000 -0.020 0.000 0.995 184 A HN 1.558 nan 8.150 nan 0.000 0.506 185 T N -1.442 113.141 114.554 0.048 0.000 3.037 185 T HA 0.256 4.606 4.350 0.000 0.000 0.252 185 T C 0.513 175.192 174.700 -0.035 0.000 1.073 185 T CA 0.752 62.895 62.100 0.073 0.000 1.091 185 T CB -0.014 68.979 68.868 0.209 0.000 0.935 185 T HN 0.986 nan 8.240 nan 0.000 0.488 186 Q N 0.383 120.098 119.800 -0.140 0.000 2.648 186 Q HA 0.475 4.815 4.340 0.000 0.000 0.300 186 Q C -2.001 173.837 176.000 -0.269 0.000 0.954 186 Q CA -1.127 54.445 55.803 -0.384 0.000 0.757 186 Q CB 1.019 29.223 28.738 -0.890 0.000 1.482 186 Q HN 0.176 nan 8.270 nan 0.000 0.437 187 I N 1.329 121.721 120.570 -0.297 0.000 2.378 187 I HA 0.427 4.597 4.170 0.000 0.000 0.291 187 I C -0.177 175.866 176.117 -0.123 0.000 0.992 187 I CA -0.597 60.606 61.300 -0.162 0.000 1.154 187 I CB 1.330 39.257 38.000 -0.121 0.000 1.315 187 I HN 0.699 nan 8.210 nan 0.000 0.448 188 K N 7.872 128.233 120.400 -0.065 0.000 2.159 188 K HA 0.746 5.066 4.320 0.000 0.000 0.266 188 K C -0.857 175.771 176.600 0.047 0.000 0.975 188 K CA -0.406 55.879 56.287 -0.004 0.000 0.865 188 K CB 1.382 33.878 32.500 -0.005 0.000 1.087 188 K HN 0.649 nan 8.250 nan 0.000 0.446 189 I N -0.326 120.305 120.570 0.101 0.000 2.892 189 I HA 0.531 4.701 4.170 0.000 0.000 0.306 189 I C -0.871 175.376 176.117 0.217 0.000 1.078 189 I CA -1.172 60.229 61.300 0.169 0.000 1.032 189 I CB 2.122 40.226 38.000 0.175 0.000 1.229 189 I HN 0.337 nan 8.210 nan 0.000 0.435 190 M N 3.738 123.476 119.600 0.229 0.000 2.061 190 M HA 0.421 4.901 4.480 0.000 0.000 0.346 190 M C 0.245 176.664 176.300 0.198 0.000 1.112 190 M CA -0.387 55.033 55.300 0.199 0.000 1.021 190 M CB 0.710 33.360 32.600 0.084 0.000 1.530 190 M HN 0.902 nan 8.290 nan 0.000 0.437 191 A N 2.184 125.138 122.820 0.224 0.000 2.500 191 A HA 0.486 4.806 4.320 0.000 0.000 0.267 191 A C 0.526 178.178 177.584 0.113 0.000 1.290 191 A CA -0.086 52.053 52.037 0.170 0.000 0.928 191 A CB 0.355 19.445 19.000 0.150 0.000 1.066 191 A HN 0.735 nan 8.150 nan 0.000 0.516 192 S N -1.858 113.922 115.700 0.132 0.000 2.597 192 S HA 0.512 4.982 4.470 0.000 0.000 0.274 192 S C 0.274 174.955 174.600 0.135 0.000 1.132 192 S CA 0.023 58.285 58.200 0.104 0.000 0.835 192 S CB 0.268 63.501 63.200 0.054 0.000 1.092 192 S HN 1.193 nan 8.310 nan 0.000 0.457 193 G N 0.990 109.855 108.800 0.108 0.000 2.825 193 G HA2 0.472 4.432 3.960 0.000 0.000 0.241 193 G HA3 0.472 4.432 3.960 0.000 0.000 0.241 193 G C 0.588 175.596 174.900 0.178 0.000 1.239 193 G CA 0.377 45.545 45.100 0.114 0.000 0.859 193 G HN 1.233 nan 8.290 nan 0.000 0.598 194 G N -2.217 106.646 108.800 0.106 0.000 2.976 194 G HA2 0.461 4.421 3.960 0.000 0.000 0.276 194 G HA3 0.461 4.421 3.960 0.000 0.000 0.276 194 G C 0.119 175.115 174.900 0.161 0.000 1.207 194 G CA 0.475 45.613 45.100 0.063 0.000 0.803 194 G HN 0.804 nan 8.290 nan 0.000 0.572 195 V N 0.118 120.199 119.914 0.277 0.000 3.090 195 V HA 0.301 4.421 4.120 0.000 0.000 0.237 195 V C 2.513 178.762 176.094 0.258 0.000 1.209 195 V CA 1.433 63.861 62.300 0.212 0.000 1.209 195 V CB 0.573 32.513 31.823 0.194 0.000 0.971 195 V HN 0.811 nan 8.190 nan 0.000 0.477 196 A N 0.771 123.826 122.820 0.393 0.000 2.251 196 A HA 0.277 4.598 4.320 0.000 0.000 0.209 196 A C 1.124 178.857 177.584 0.248 0.000 1.187 196 A CA 0.624 52.810 52.037 0.248 0.000 0.823 196 A CB -0.282 18.828 19.000 0.183 0.000 0.846 196 A HN 0.564 nan 8.150 nan 0.000 0.486 197 S N -0.679 115.154 115.700 0.222 0.000 2.593 197 S HA 0.542 5.013 4.470 0.000 0.000 0.297 197 S C -1.848 172.826 174.600 0.123 0.000 1.112 197 S CA -1.323 56.954 58.200 0.128 0.000 1.043 197 S CB 1.704 64.840 63.200 -0.107 0.000 1.054 197 S HN 0.094 nan 8.310 nan 0.000 0.516 198 P HA -0.074 nan 4.420 nan 0.000 0.215 198 P C 1.361 178.688 177.300 0.046 0.000 1.157 198 P CA 1.801 64.947 63.100 0.077 0.000 0.859 198 P CB -0.397 31.349 31.700 0.078 0.000 0.786 199 T N -3.693 110.875 114.554 0.023 0.000 3.014 199 T HA 0.033 4.383 4.350 0.000 0.000 0.250 199 T C 0.524 175.232 174.700 0.013 0.000 1.060 199 T CA -0.249 61.859 62.100 0.012 0.000 1.040 199 T CB -0.598 68.268 68.868 -0.004 0.000 0.971 199 T HN 0.128 nan 8.240 nan 0.000 0.497 200 D N 2.574 122.989 120.400 0.025 0.000 2.329 200 D HA 0.346 4.986 4.640 0.000 0.000 0.232 200 D C -3.053 173.271 176.300 0.040 0.000 1.088 200 D CA -2.161 51.857 54.000 0.029 0.000 0.835 200 D CB 1.560 42.381 40.800 0.034 0.000 1.078 200 D HN 0.107 nan 8.370 nan 0.000 0.495 201 P HA 0.023 nan 4.420 nan 0.000 0.267 201 P C 1.253 178.565 177.300 0.020 0.000 1.200 201 P CA -0.421 62.686 63.100 0.012 0.000 0.772 201 P CB 1.040 32.740 31.700 0.002 0.000 0.855 202 I N 1.659 122.227 120.570 -0.003 0.000 2.493 202 I HA -0.219 3.951 4.170 0.000 0.000 0.254 202 I C 1.562 177.696 176.117 0.028 0.000 1.160 202 I CA 1.631 62.934 61.300 0.005 0.000 1.445 202 I CB -0.267 37.645 38.000 -0.147 0.000 1.086 202 I HN 0.293 nan 8.210 nan 0.000 0.433 203 A N 1.968 124.787 122.820 -0.001 0.000 2.015 203 A HA -0.131 4.189 4.320 0.000 0.000 0.219 203 A C 1.070 178.666 177.584 0.020 0.000 1.163 203 A CA 1.118 53.157 52.037 0.003 0.000 0.646 203 A CB -0.909 18.083 19.000 -0.012 0.000 0.806 203 A HN 0.776 nan 8.150 nan 0.000 0.448 204 N N 0.205 118.919 118.700 0.023 0.000 2.495 204 N HA 0.308 5.048 4.740 0.000 0.000 0.280 204 N C -0.098 175.431 175.510 0.032 0.000 1.168 204 N CA 0.275 53.339 53.050 0.022 0.000 0.978 204 N CB 0.659 39.153 38.487 0.012 0.000 1.191 204 N HN 0.225 nan 8.380 nan 0.000 0.497 205 T N -1.884 112.685 114.554 0.027 0.000 2.881 205 T HA 0.307 4.657 4.350 0.000 0.000 0.278 205 T C -0.255 174.456 174.700 0.018 0.000 0.982 205 T CA -0.636 61.484 62.100 0.033 0.000 0.989 205 T CB 1.361 70.251 68.868 0.037 0.000 1.058 205 T HN 0.593 nan 8.240 nan 0.000 0.529 206 Q N -0.017 119.796 119.800 0.022 0.000 2.389 206 Q HA 0.497 4.838 4.340 0.000 0.000 0.277 206 Q C -1.602 174.414 176.000 0.027 0.000 1.082 206 Q CA -0.957 54.817 55.803 -0.049 0.000 0.810 206 Q CB 2.415 31.079 28.738 -0.124 0.000 1.374 206 Q HN 0.848 nan 8.270 nan 0.000 0.422 207 Y N -0.611 119.705 120.300 0.027 0.000 2.526 207 Y HA -0.292 4.258 4.550 0.000 0.000 0.022 207 Y C 0.214 176.126 175.900 0.019 0.000 1.721 207 Y CA 0.154 58.268 58.100 0.022 0.000 1.405 207 Y CB -0.382 38.093 38.460 0.024 0.000 2.052 207 Y HN 0.760 nan 8.280 nan 0.000 0.257 208 S N 1.826 117.660 115.700 0.224 0.000 2.593 208 S HA 0.170 4.641 4.470 0.000 0.000 0.269 208 S C 0.816 175.469 174.600 0.088 0.000 1.334 208 S CA -0.186 58.084 58.200 0.117 0.000 1.015 208 S CB 1.560 64.811 63.200 0.086 0.000 0.912 208 S HN 0.677 nan 8.310 nan 0.000 0.541 209 E N 1.047 121.281 120.200 0.057 0.000 2.118 209 E HA -0.201 4.149 4.350 0.000 0.000 0.195 209 E C 1.104 177.715 176.600 0.017 0.000 0.992 209 E CA 1.490 57.911 56.400 0.035 0.000 0.804 209 E CB -0.267 29.449 29.700 0.028 0.000 0.741 209 E HN 0.683 nan 8.360 nan 0.000 0.458 210 D N 1.035 121.446 120.400 0.018 0.000 2.104 210 D HA -0.169 4.471 4.640 0.000 0.000 0.194 210 D C 1.832 178.120 176.300 -0.021 0.000 0.994 210 D CA 1.199 55.202 54.000 0.004 0.000 0.830 210 D CB -0.175 40.632 40.800 0.011 0.000 0.959 210 D HN 0.316 nan 8.370 nan 0.000 0.452 211 E N 0.287 120.469 120.200 -0.029 0.000 2.047 211 E HA -0.096 4.254 4.350 0.000 0.000 0.191 211 E C 2.445 178.935 176.600 -0.185 0.000 0.987 211 E CA 0.504 56.829 56.400 -0.125 0.000 0.799 211 E CB -0.057 29.539 29.700 -0.173 0.000 0.752 211 E HN 0.307 nan 8.360 nan 0.000 0.449 212 I N 0.787 121.280 120.570 -0.128 0.000 2.163 212 I HA -0.314 3.856 4.170 0.000 0.000 0.243 212 I C 2.626 178.705 176.117 -0.063 0.000 1.085 212 I CA 1.246 62.488 61.300 -0.097 0.000 1.347 212 I CB -0.401 37.592 38.000 -0.011 0.000 1.044 212 I HN 0.045 nan 8.210 nan 0.000 0.408 213 R N 0.753 121.231 120.500 -0.036 0.000 2.083 213 R HA -0.178 4.162 4.340 0.000 0.000 0.237 213 R C 2.498 178.779 176.300 -0.032 0.000 1.137 213 R CA 1.723 57.810 56.100 -0.021 0.000 0.951 213 R CB -0.390 29.904 30.300 -0.008 0.000 0.851 213 R HN 0.423 nan 8.270 nan 0.000 0.434 214 A N 0.664 123.455 122.820 -0.048 0.000 1.933 214 A HA -0.156 4.164 4.320 0.000 0.000 0.218 214 A C 2.084 179.633 177.584 -0.059 0.000 1.175 214 A CA 1.299 53.307 52.037 -0.049 0.000 0.628 214 A CB -0.428 18.538 19.000 -0.056 0.000 0.814 214 A HN 0.243 nan 8.150 nan 0.000 0.444 215 I N -0.733 119.783 120.570 -0.090 0.000 2.163 215 I HA -0.190 3.980 4.170 0.000 0.000 0.240 215 I C 2.373 178.458 176.117 -0.053 0.000 1.081 215 I CA 1.000 62.245 61.300 -0.091 0.000 1.353 215 I CB -0.422 37.492 38.000 -0.142 0.000 1.054 215 I HN 0.142 nan 8.210 nan 0.000 0.407 216 V N 1.103 120.995 119.914 -0.036 0.000 2.250 216 V HA -0.372 3.748 4.120 0.000 0.000 0.250 216 V C 2.146 178.240 176.094 0.000 0.000 1.060 216 V CA 2.304 64.602 62.300 -0.004 0.000 1.030 216 V CB -0.745 31.085 31.823 0.011 0.000 0.643 216 V HN 0.423 nan 8.190 nan 0.000 0.445 217 D N -0.462 119.935 120.400 -0.006 0.000 2.116 217 D HA -0.158 4.482 4.640 0.000 0.000 0.193 217 D C 2.302 178.599 176.300 -0.005 0.000 0.998 217 D CA 1.275 55.274 54.000 -0.001 0.000 0.836 217 D CB -0.303 40.494 40.800 -0.005 0.000 0.951 217 D HN 0.428 nan 8.370 nan 0.000 0.449 218 E N 0.446 120.636 120.200 -0.017 0.000 2.110 218 E HA -0.105 4.245 4.350 0.000 0.000 0.193 218 E C 2.086 178.675 176.600 -0.018 0.000 0.988 218 E CA 0.903 57.291 56.400 -0.019 0.000 0.804 218 E CB -0.359 29.323 29.700 -0.029 0.000 0.745 218 E HN 0.253 nan 8.360 nan 0.000 0.458 219 A N 1.449 124.255 122.820 -0.023 0.000 1.902 219 A HA -0.206 4.114 4.320 0.000 0.000 0.217 219 A C 2.080 179.666 177.584 0.003 0.000 1.181 219 A CA 1.523 53.545 52.037 -0.026 0.000 0.623 219 A CB -0.447 18.527 19.000 -0.044 0.000 0.818 219 A HN 0.209 nan 8.150 nan 0.000 0.443 220 E N -0.286 119.926 120.200 0.020 0.000 2.077 220 E HA -0.129 4.221 4.350 0.000 0.000 0.193 220 E C 2.263 178.878 176.600 0.025 0.000 0.989 220 E CA 0.895 57.316 56.400 0.036 0.000 0.800 220 E CB -0.313 29.410 29.700 0.039 0.000 0.746 220 E HN 0.607 nan 8.360 nan 0.000 0.452 221 A N 1.148 123.976 122.820 0.013 0.000 2.084 221 A HA -0.125 4.195 4.320 0.000 0.000 0.221 221 A C 2.083 179.672 177.584 0.008 0.000 1.161 221 A CA 1.622 53.664 52.037 0.009 0.000 0.653 221 A CB -0.316 18.684 19.000 0.002 0.000 0.802 221 A HN 0.252 nan 8.150 nan 0.000 0.457 222 A N -0.747 122.077 122.820 0.007 0.000 2.507 222 A HA 0.329 4.649 4.320 0.000 0.000 0.270 222 A C 0.493 178.090 177.584 0.021 0.000 1.318 222 A CA -0.032 52.009 52.037 0.007 0.000 0.924 222 A CB -0.430 18.567 19.000 -0.006 0.000 1.061 222 A HN 0.466 nan 8.150 nan 0.000 0.516 223 N N 0.423 119.142 118.700 0.032 0.000 2.714 223 N HA -0.148 4.592 4.740 0.000 0.000 0.252 223 N C 0.096 175.648 175.510 0.071 0.000 1.014 223 N CA 1.587 54.667 53.050 0.050 0.000 0.735 223 N CB -1.157 37.357 38.487 0.046 0.000 0.924 223 N HN 0.614 nan 8.380 nan 0.000 0.540 224 T N -1.323 113.272 114.554 0.068 0.000 2.626 224 T HA 0.705 5.055 4.350 0.000 0.000 0.279 224 T C -1.097 173.683 174.700 0.134 0.000 0.983 224 T CA -0.552 61.607 62.100 0.099 0.000 1.059 224 T CB 1.323 70.183 68.868 -0.014 0.000 1.396 224 T HN 0.244 nan 8.240 nan 0.000 0.519 225 Y N -1.517 118.783 120.300 0.001 0.000 2.790 225 Y HA 0.878 5.428 4.550 0.000 0.000 0.323 225 Y C -1.387 174.513 175.900 -0.000 0.000 1.230 225 Y CA -1.237 56.864 58.100 0.003 0.000 1.121 225 Y CB 0.731 39.191 38.460 -0.001 0.000 1.328 225 Y HN 0.328 nan 8.280 nan 0.000 0.514 226 V N 3.494 123.462 119.914 0.089 0.000 2.487 226 V HA 0.359 4.480 4.120 0.000 0.000 0.298 226 V C -0.229 175.951 176.094 0.143 0.000 1.028 226 V CA -0.900 61.397 62.300 -0.005 0.000 0.860 226 V CB 1.492 33.325 31.823 0.017 0.000 0.991 226 V HN 0.812 nan 8.190 nan 0.000 0.427 227 M N 4.109 123.744 119.600 0.058 0.000 2.233 227 M HA 0.919 5.399 4.480 0.000 0.000 0.355 227 M C -0.403 175.962 176.300 0.107 0.000 1.191 227 M CA -0.210 55.168 55.300 0.131 0.000 1.101 227 M CB 1.556 34.225 32.600 0.116 0.000 1.592 227 M HN 0.554 nan 8.290 nan 0.000 0.461 228 A N 2.022 124.916 122.820 0.124 0.000 2.359 228 A HA 0.493 4.813 4.320 0.000 0.000 0.303 228 A C -1.490 176.186 177.584 0.154 0.000 1.066 228 A CA -0.672 51.447 52.037 0.138 0.000 0.730 228 A CB 0.694 19.758 19.000 0.108 0.000 1.211 228 A HN 1.012 nan 8.150 nan 0.000 0.439 229 H N 1.874 121.007 119.070 0.106 0.000 2.668 229 H HA 0.654 5.211 4.556 0.000 0.000 0.303 229 H C -0.228 175.081 175.328 -0.032 0.000 1.074 229 H CA 0.583 56.689 56.048 0.097 0.000 1.406 229 H CB 0.746 30.620 29.762 0.187 0.000 1.442 229 H HN 0.961 nan 8.280 nan 0.000 0.482 230 A N 5.073 127.591 122.820 -0.503 0.000 2.500 230 A HA 0.256 4.576 4.320 0.000 0.000 0.291 230 A C -1.379 175.960 177.584 -0.408 0.000 1.048 230 A CA -0.727 51.095 52.037 -0.358 0.000 0.791 230 A CB 0.137 19.081 19.000 -0.093 0.000 1.309 230 A HN 0.716 nan 8.150 nan 0.000 0.397 231 Y N 1.439 121.645 120.300 -0.157 0.000 2.222 231 Y HA 0.117 4.667 4.550 0.000 0.000 0.290 231 Y C 2.228 178.095 175.900 -0.056 0.000 1.123 231 Y CA 1.687 59.718 58.100 -0.114 0.000 1.120 231 Y CB -0.310 38.063 38.460 -0.145 0.000 1.060 231 Y HN 0.731 nan 8.280 nan 0.000 0.508 232 T N -1.319 113.308 114.554 0.123 0.000 2.868 232 T HA 0.285 4.635 4.350 0.000 0.000 0.292 232 T C 1.637 176.358 174.700 0.036 0.000 1.028 232 T CA -0.092 62.042 62.100 0.057 0.000 1.059 232 T CB 1.376 70.264 68.868 0.035 0.000 0.991 232 T HN 0.413 nan 8.240 nan 0.000 0.531 233 G N 0.743 109.553 108.800 0.017 0.000 2.450 233 G HA2 -0.238 3.722 3.960 0.000 0.000 0.220 233 G HA3 -0.238 3.722 3.960 0.000 0.000 0.220 233 G C 1.538 176.446 174.900 0.013 0.000 1.130 233 G CA 0.816 45.922 45.100 0.010 0.000 0.760 233 G HN 0.886 nan 8.290 nan 0.000 0.557 234 R N 0.539 121.046 120.500 0.012 0.000 2.073 234 R HA 0.038 4.379 4.340 0.000 0.000 0.234 234 R C 2.758 179.069 176.300 0.018 0.000 1.134 234 R CA 1.605 57.713 56.100 0.013 0.000 0.952 234 R CB -0.402 29.905 30.300 0.012 0.000 0.850 234 R HN 0.264 nan 8.270 nan 0.000 0.433 235 A N 0.636 123.470 122.820 0.024 0.000 1.968 235 A HA -0.019 4.301 4.320 0.000 0.000 0.217 235 A C 2.110 179.709 177.584 0.024 0.000 1.169 235 A CA 0.927 52.981 52.037 0.028 0.000 0.638 235 A CB -0.295 18.725 19.000 0.033 0.000 0.812 235 A HN 0.366 nan 8.150 nan 0.000 0.446 236 I N -0.356 120.227 120.570 0.022 0.000 2.202 236 I HA -0.229 3.941 4.170 0.000 0.000 0.242 236 I C 2.981 179.103 176.117 0.010 0.000 1.091 236 I CA 0.937 62.252 61.300 0.024 0.000 1.368 236 I CB -0.313 37.715 38.000 0.046 0.000 1.058 236 I HN 0.345 nan 8.210 nan 0.000 0.410 237 A N 1.949 124.772 122.820 0.006 0.000 1.865 237 A HA -0.248 4.072 4.320 0.000 0.000 0.217 237 A C 2.397 179.961 177.584 -0.032 0.000 1.191 237 A CA 2.163 54.192 52.037 -0.013 0.000 0.623 237 A CB -0.772 18.227 19.000 -0.001 0.000 0.826 237 A HN 0.508 nan 8.150 nan 0.000 0.444 238 R N -0.461 120.033 120.500 -0.010 0.000 2.096 238 R HA 0.058 4.398 4.340 0.000 0.000 0.235 238 R C 2.161 178.455 176.300 -0.010 0.000 1.127 238 R CA 1.445 57.541 56.100 -0.007 0.000 0.968 238 R CB -0.714 29.595 30.300 0.014 0.000 0.861 238 R HN 0.329 nan 8.270 nan 0.000 0.440 239 A N 1.495 124.316 122.820 0.001 0.000 1.902 239 A HA -0.050 4.270 4.320 0.000 0.000 0.217 239 A C 2.396 179.965 177.584 -0.025 0.000 1.181 239 A CA 1.535 53.578 52.037 0.009 0.000 0.623 239 A CB -0.439 18.581 19.000 0.032 0.000 0.818 239 A HN 0.183 nan 8.150 nan 0.000 0.443 240 V N -0.205 119.667 119.914 -0.068 0.000 2.548 240 V HA -0.185 3.935 4.120 0.000 0.000 0.249 240 V C 2.525 178.445 176.094 -0.290 0.000 1.055 240 V CA 1.919 64.124 62.300 -0.159 0.000 1.065 240 V CB -0.757 30.957 31.823 -0.183 0.000 0.681 240 V HN 0.500 nan 8.190 nan 0.000 0.462 241 R N -1.171 119.197 120.500 -0.220 0.000 2.189 241 R HA -0.083 4.257 4.340 0.000 0.000 0.218 241 R C 2.157 178.419 176.300 -0.063 0.000 1.074 241 R CA 1.385 57.380 56.100 -0.174 0.000 0.991 241 R CB -0.438 29.818 30.300 -0.073 0.000 0.883 241 R HN 0.450 nan 8.270 nan 0.000 0.457 242 C N -1.054 118.220 119.300 -0.043 0.000 2.495 242 C HA 0.196 4.656 4.460 0.000 0.000 0.275 242 C C 1.454 176.447 174.990 0.005 0.000 1.392 242 C CA 0.810 59.824 59.018 -0.007 0.000 1.766 242 C CB -0.103 27.637 27.740 0.000 0.000 1.933 242 C HN 0.786 nan 8.230 nan 0.000 0.519 243 G N 0.552 109.349 108.800 -0.005 0.000 2.186 243 G HA2 -0.075 3.886 3.960 0.000 0.000 0.130 243 G HA3 -0.075 3.886 3.960 0.000 0.000 0.130 243 G C -0.002 174.929 174.900 0.051 0.000 1.031 243 G CA 0.154 45.272 45.100 0.031 0.000 0.697 243 G HN 0.874 nan 8.290 nan 0.000 0.494 244 V N -1.388 118.551 119.914 0.042 0.000 2.881 244 V HA 0.759 4.879 4.120 0.000 0.000 0.303 244 V C 1.355 177.514 176.094 0.109 0.000 1.070 244 V CA 0.543 62.892 62.300 0.082 0.000 1.074 244 V CB 1.633 33.500 31.823 0.073 0.000 1.012 244 V HN 0.413 nan 8.190 nan 0.000 0.482 245 R N 1.943 122.546 120.500 0.172 0.000 2.142 245 R HA 0.204 4.544 4.340 0.000 0.000 0.204 245 R C 0.856 177.277 176.300 0.202 0.000 1.059 245 R CA 0.926 57.134 56.100 0.180 0.000 1.055 245 R CB 0.194 30.589 30.300 0.159 0.000 0.976 245 R HN 0.991 nan 8.270 nan 0.000 0.483 246 T N -1.094 113.570 114.554 0.183 0.000 2.863 246 T HA 0.506 4.856 4.350 0.000 0.000 0.285 246 T C -0.376 174.386 174.700 0.104 0.000 1.009 246 T CA -0.894 61.292 62.100 0.144 0.000 0.989 246 T CB 1.736 70.649 68.868 0.074 0.000 1.004 246 T HN -0.086 nan 8.240 nan 0.000 0.455 247 I N 2.936 123.538 120.570 0.054 0.000 2.378 247 I HA 0.401 4.571 4.170 0.000 0.000 0.291 247 I C 0.004 176.089 176.117 -0.054 0.000 0.992 247 I CA -0.753 60.554 61.300 0.012 0.000 1.154 247 I CB 1.807 39.812 38.000 0.007 0.000 1.315 247 I HN 0.752 nan 8.210 nan 0.000 0.448 248 E N 6.470 126.623 120.200 -0.077 0.000 2.266 248 E HA 0.332 4.682 4.350 0.000 0.000 0.277 248 E C 0.477 176.852 176.600 -0.376 0.000 1.018 248 E CA -0.318 55.916 56.400 -0.277 0.000 0.840 248 E CB 1.068 30.642 29.700 -0.208 0.000 1.082 248 E HN 0.536 nan 8.360 nan 0.000 0.395 249 H N 1.972 120.929 119.070 -0.189 0.000 1.562 249 H HA -0.306 4.250 4.556 0.000 0.000 0.090 249 H C 1.086 176.395 175.328 -0.031 0.000 0.613 249 H CA 1.505 57.486 56.048 -0.111 0.000 1.889 249 H CB -1.417 28.199 29.762 -0.244 0.000 2.240 249 H HN 0.855 nan 8.280 nan 0.000 0.959 250 G N 1.554 110.403 108.800 0.080 0.000 2.147 250 G HA2 -0.349 3.611 3.960 0.000 0.000 0.244 250 G HA3 -0.349 3.611 3.960 0.000 0.000 0.244 250 G C 0.664 175.719 174.900 0.259 0.000 1.005 250 G CA 1.100 46.300 45.100 0.167 0.000 0.713 250 G HN 0.609 nan 8.290 nan 0.000 0.515 251 N N -0.206 118.650 118.700 0.260 0.000 2.348 251 N HA -0.004 4.736 4.740 0.000 0.000 0.185 251 N C 1.558 177.095 175.510 0.046 0.000 1.019 251 N CA 1.275 54.408 53.050 0.139 0.000 0.880 251 N CB -0.103 38.394 38.487 0.017 0.000 0.965 251 N HN 0.598 nan 8.380 nan 0.000 0.437 252 L N 0.594 121.856 121.223 0.066 0.000 3.141 252 L HA 0.319 4.659 4.340 0.000 0.000 0.263 252 L C -0.406 176.453 176.870 -0.018 0.000 1.312 252 L CA -0.551 54.286 54.840 -0.005 0.000 1.012 252 L CB 0.065 42.115 42.059 -0.014 0.000 1.408 252 L HN -0.119 nan 8.230 nan 0.000 0.559 253 V N -2.043 117.840 119.914 -0.051 0.000 2.763 253 V HA 0.114 4.234 4.120 0.000 0.000 0.306 253 V C 0.208 176.229 176.094 -0.121 0.000 1.059 253 V CA -0.774 61.465 62.300 -0.102 0.000 1.138 253 V CB 0.171 31.832 31.823 -0.269 0.000 0.940 253 V HN 0.430 nan 8.190 nan 0.000 0.489 254 D N 2.683 123.032 120.400 -0.085 0.000 2.432 254 D HA 0.254 4.894 4.640 0.000 0.000 0.258 254 D C 1.006 177.249 176.300 -0.094 0.000 1.146 254 D CA -0.373 53.578 54.000 -0.082 0.000 1.015 254 D CB 0.606 41.377 40.800 -0.048 0.000 1.107 254 D HN 0.648 nan 8.370 nan 0.000 0.529 255 E N 0.076 120.229 120.200 -0.078 0.000 2.285 255 E HA -0.150 4.200 4.350 0.000 0.000 0.194 255 E C 1.788 178.370 176.600 -0.030 0.000 0.997 255 E CA 0.808 57.167 56.400 -0.068 0.000 0.845 255 E CB -0.530 29.135 29.700 -0.060 0.000 0.782 255 E HN 0.489 nan 8.360 nan 0.000 0.491 256 A N 2.195 125.004 122.820 -0.019 0.000 1.883 256 A HA -0.057 4.263 4.320 0.000 0.000 0.217 256 A C 2.539 180.133 177.584 0.018 0.000 1.186 256 A CA 2.438 54.477 52.037 0.002 0.000 0.624 256 A CB -0.773 18.227 19.000 0.001 0.000 0.822 256 A HN 0.404 nan 8.150 nan 0.000 0.444 257 A N -0.397 122.428 122.820 0.009 0.000 1.898 257 A HA 0.241 4.562 4.320 0.000 0.000 0.216 257 A C 2.507 180.125 177.584 0.056 0.000 1.181 257 A CA 1.898 53.951 52.037 0.027 0.000 0.620 257 A CB -1.010 18.000 19.000 0.018 0.000 0.819 257 A HN 1.078 nan 8.150 nan 0.000 0.442 258 A N -0.084 122.756 122.820 0.033 0.000 1.933 258 A HA -0.189 4.131 4.320 0.000 0.000 0.218 258 A C 2.137 179.786 177.584 0.109 0.000 1.175 258 A CA 2.012 54.096 52.037 0.078 0.000 0.628 258 A CB -0.461 18.520 19.000 -0.031 0.000 0.814 258 A HN 0.551 nan 8.150 nan 0.000 0.444 259 K N -0.796 119.650 120.400 0.077 0.000 2.057 259 K HA -0.136 4.184 4.320 0.000 0.000 0.207 259 K C 1.884 178.573 176.600 0.147 0.000 1.049 259 K CA 1.551 57.903 56.287 0.108 0.000 0.931 259 K CB -0.269 32.271 32.500 0.067 0.000 0.714 259 K HN 0.347 nan 8.250 nan 0.000 0.440 260 L N 1.156 122.455 121.223 0.126 0.000 2.093 260 L HA -0.086 4.254 4.340 0.000 0.000 0.208 260 L C 2.228 179.228 176.870 0.216 0.000 1.085 260 L CA 1.437 56.380 54.840 0.173 0.000 0.755 260 L CB -0.223 41.906 42.059 0.116 0.000 0.904 260 L HN 0.270 nan 8.230 nan 0.000 0.435 261 M N -1.648 118.040 119.600 0.147 0.000 2.086 261 M HA -0.251 4.230 4.480 0.000 0.000 0.261 261 M C 2.356 178.727 176.300 0.118 0.000 1.067 261 M CA 1.934 57.309 55.300 0.125 0.000 1.116 261 M CB -0.483 32.196 32.600 0.132 0.000 1.348 261 M HN 0.441 nan 8.290 nan 0.000 0.407 262 H N 0.115 119.211 119.070 0.044 0.000 2.353 262 H HA -0.187 4.369 4.556 0.000 0.000 0.298 262 H C 1.773 177.097 175.328 -0.008 0.000 1.103 262 H CA 2.369 58.416 56.048 -0.001 0.000 1.293 262 H CB -0.048 29.717 29.762 0.005 0.000 1.372 262 H HN 0.418 nan 8.280 nan 0.000 0.501 263 E N -1.287 118.844 120.200 -0.115 0.000 2.072 263 E HA -0.154 4.196 4.350 0.000 0.000 0.191 263 E C 1.765 178.230 176.600 -0.225 0.000 0.985 263 E CA 1.166 57.439 56.400 -0.211 0.000 0.801 263 E CB 0.006 29.659 29.700 -0.079 0.000 0.750 263 E HN 0.675 nan 8.360 nan 0.000 0.452 264 H N -1.536 117.470 119.070 -0.106 0.000 2.502 264 H HA 0.153 4.710 4.556 0.000 0.000 0.283 264 H C 0.956 176.223 175.328 -0.102 0.000 1.015 264 H CA 1.017 57.019 56.048 -0.076 0.000 1.298 264 H CB 0.716 30.460 29.762 -0.030 0.000 1.411 264 H HN 0.305 nan 8.280 nan 0.000 0.556 265 G N -0.314 108.450 108.800 -0.060 0.000 2.165 265 G HA2 -0.147 3.813 3.960 0.000 0.000 0.226 265 G HA3 -0.147 3.813 3.960 0.000 0.000 0.226 265 G C 0.035 174.828 174.900 -0.177 0.000 1.035 265 G CA 0.054 45.055 45.100 -0.164 0.000 0.744 265 G HN 0.649 nan 8.290 nan 0.000 0.501 266 A N -0.295 122.468 122.820 -0.095 0.000 2.309 266 A HA 0.854 5.174 4.320 0.000 0.000 0.298 266 A C 0.160 177.672 177.584 -0.121 0.000 1.165 266 A CA -0.456 51.567 52.037 -0.024 0.000 0.821 266 A CB 0.604 19.632 19.000 0.046 0.000 1.102 266 A HN 0.558 nan 8.150 nan 0.000 0.500 267 F N 1.056 120.978 119.950 -0.047 0.000 2.368 267 F HA 0.533 5.060 4.527 0.000 0.000 0.315 267 F C 0.460 176.187 175.800 -0.121 0.000 1.145 267 F CA -0.369 57.584 58.000 -0.079 0.000 1.095 267 F CB 1.310 40.251 39.000 -0.097 0.000 1.286 267 F HN 0.299 nan 8.300 nan 0.000 0.530 268 V N 1.022 120.935 119.914 -0.002 0.000 2.735 268 V HA 0.471 4.591 4.120 0.000 0.000 0.310 268 V C -0.783 175.223 176.094 -0.146 0.000 1.061 268 V CA -0.902 61.282 62.300 -0.193 0.000 0.913 268 V CB 1.866 33.301 31.823 -0.646 0.000 1.005 268 V HN 0.450 nan 8.190 nan 0.000 0.428 269 V N 4.750 124.571 119.914 -0.154 0.000 2.276 269 V HA 0.331 4.451 4.120 0.000 0.000 0.268 269 V C -2.495 173.472 176.094 -0.213 0.000 1.032 269 V CA -1.665 60.545 62.300 -0.151 0.000 0.810 269 V CB 1.100 32.865 31.823 -0.096 0.000 1.060 269 V HN 0.726 nan 8.190 nan 0.000 0.446 270 P HA 0.227 nan 4.420 nan 0.000 0.269 270 P C 0.437 177.657 177.300 -0.132 0.000 1.215 270 P CA 0.178 63.224 63.100 -0.092 0.000 0.780 270 P CB 0.507 32.186 31.700 -0.035 0.000 0.898 271 T N -1.776 112.774 114.554 -0.007 0.000 3.584 271 T HA 0.275 4.625 4.350 0.000 0.000 0.259 271 T C 1.032 175.749 174.700 0.028 0.000 1.009 271 T CA -0.398 61.653 62.100 -0.083 0.000 1.103 271 T CB -1.087 67.705 68.868 -0.128 0.000 1.099 271 T HN 0.068 nan 8.240 nan 0.000 0.539 272 L N 0.124 121.399 121.223 0.088 0.000 2.079 272 L HA -0.064 4.276 4.340 0.000 0.000 0.210 272 L C 2.716 179.666 176.870 0.132 0.000 1.081 272 L CA 0.967 55.943 54.840 0.226 0.000 0.752 272 L CB -0.653 41.472 42.059 0.111 0.000 0.896 272 L HN 0.403 nan 8.230 nan 0.000 0.433 273 V N -0.652 119.247 119.914 -0.024 0.000 2.568 273 V HA -0.297 3.823 4.120 0.000 0.000 0.253 273 V C 2.510 178.560 176.094 -0.073 0.000 1.072 273 V CA 2.442 64.720 62.300 -0.037 0.000 1.084 273 V CB -0.165 31.634 31.823 -0.040 0.000 0.676 273 V HN 0.542 nan 8.190 nan 0.000 0.469 274 T N -1.420 113.015 114.554 -0.199 0.000 3.023 274 T HA -0.098 4.252 4.350 0.000 0.000 0.266 274 T C 1.474 176.002 174.700 -0.286 0.000 1.093 274 T CA 1.531 63.467 62.100 -0.273 0.000 1.129 274 T CB -0.233 68.411 68.868 -0.373 0.000 0.899 274 T HN 0.702 nan 8.240 nan 0.000 0.491 275 Y N 1.279 121.584 120.300 0.008 0.000 2.269 275 Y HA 0.115 4.665 4.550 0.000 0.000 0.294 275 Y C 2.381 178.254 175.900 -0.044 0.000 1.120 275 Y CA 0.544 58.637 58.100 -0.012 0.000 1.159 275 Y CB -0.480 37.971 38.460 -0.016 0.000 1.024 275 Y HN 0.194 nan 8.280 nan 0.000 0.532 276 D N 0.294 120.739 120.400 0.076 0.000 2.123 276 D HA -0.190 4.450 4.640 0.000 0.000 0.196 276 D C 2.272 178.504 176.300 -0.113 0.000 0.992 276 D CA 1.565 55.546 54.000 -0.032 0.000 0.833 276 D CB -0.580 40.188 40.800 -0.055 0.000 0.954 276 D HN 0.326 nan 8.370 nan 0.000 0.455 277 A N 0.417 123.174 122.820 -0.105 0.000 1.902 277 A HA -0.099 4.221 4.320 0.000 0.000 0.217 277 A C 2.295 179.881 177.584 0.004 0.000 1.181 277 A CA 0.945 52.933 52.037 -0.081 0.000 0.623 277 A CB -0.767 18.255 19.000 0.036 0.000 0.818 277 A HN 0.227 nan 8.150 nan 0.000 0.443 278 L N -0.928 120.305 121.223 0.016 0.000 2.395 278 L HA -0.055 4.285 4.340 0.000 0.000 0.218 278 L C 2.910 179.775 176.870 -0.008 0.000 1.130 278 L CA 0.543 55.407 54.840 0.041 0.000 0.826 278 L CB -0.338 41.755 42.059 0.056 0.000 0.941 278 L HN 0.446 nan 8.230 nan 0.000 0.451 279 A N 0.170 122.963 122.820 -0.045 0.000 1.873 279 A HA -0.196 4.124 4.320 0.000 0.000 0.215 279 A C 2.281 179.765 177.584 -0.166 0.000 1.186 279 A CA 1.579 53.568 52.037 -0.081 0.000 0.616 279 A CB -0.211 18.745 19.000 -0.073 0.000 0.823 279 A HN 0.161 nan 8.150 nan 0.000 0.442 280 K N -0.438 119.778 120.400 -0.306 0.000 1.991 280 K HA -0.025 4.295 4.320 0.000 0.000 0.207 280 K C 0.760 177.028 176.600 -0.554 0.000 1.045 280 K CA 1.496 57.447 56.287 -0.561 0.000 0.937 280 K CB -0.099 31.801 32.500 -1.001 0.000 0.720 280 K HN 0.664 nan 8.250 nan 0.000 0.438 281 H N -1.196 117.817 119.070 -0.094 0.000 2.502 281 H HA 0.316 4.873 4.556 0.000 0.000 0.268 281 H C 0.974 176.240 175.328 -0.104 0.000 1.177 281 H CA 0.127 56.047 56.048 -0.214 0.000 0.961 281 H CB 0.307 29.870 29.762 -0.332 0.000 1.737 281 H HN 0.271 nan 8.280 nan 0.000 0.569 282 G N 1.128 109.930 108.800 0.003 0.000 2.662 282 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 282 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 282 G C 1.689 176.619 174.900 0.051 0.000 1.310 282 G CA 0.862 45.992 45.100 0.050 0.000 0.849 282 G HN 0.432 nan 8.290 nan 0.000 0.568 283 A N 0.139 122.968 122.820 0.014 0.000 2.125 283 A HA -0.004 4.316 4.320 0.000 0.000 0.219 283 A C 2.105 179.692 177.584 0.005 0.000 1.156 283 A CA 2.019 54.065 52.037 0.015 0.000 0.671 283 A CB -0.414 18.587 19.000 0.001 0.000 0.794 283 A HN 0.579 nan 8.150 nan 0.000 0.459 284 E N -1.125 119.048 120.200 -0.045 0.000 2.072 284 E HA -0.152 4.198 4.350 0.000 0.000 0.191 284 E C 0.478 177.040 176.600 -0.064 0.000 0.985 284 E CA 0.986 57.311 56.400 -0.124 0.000 0.801 284 E CB -0.123 29.412 29.700 -0.274 0.000 0.750 284 E HN 0.552 nan 8.360 nan 0.000 0.452 285 F N -0.387 119.606 119.950 0.073 0.000 2.664 285 F HA 0.316 4.842 4.527 -0.000 0.000 0.301 285 F C 1.324 177.142 175.800 0.030 0.000 1.126 285 F CA 0.565 58.597 58.000 0.054 0.000 1.373 285 F CB 0.809 39.851 39.000 0.069 0.000 1.042 285 F HN 0.213 nan 8.300 nan 0.000 0.535 286 G N 0.471 109.381 108.800 0.183 0.000 2.141 286 G HA2 -0.296 3.664 3.960 0.000 0.000 0.231 286 G HA3 -0.296 3.664 3.960 0.000 0.000 0.231 286 G C 0.411 175.353 174.900 0.070 0.000 0.984 286 G CA -0.057 45.105 45.100 0.105 0.000 0.660 286 G HN 0.300 nan 8.290 nan 0.000 0.525 287 M N 2.363 122.012 119.600 0.082 0.000 2.162 287 M HA 0.416 4.896 4.480 0.000 0.000 0.356 287 M C -1.695 174.633 176.300 0.047 0.000 1.303 287 M CA -1.785 53.548 55.300 0.055 0.000 1.116 287 M CB 0.631 33.272 32.600 0.068 0.000 1.632 287 M HN -0.021 nan 8.290 nan 0.000 0.469 288 P HA -0.032 nan 4.420 nan 0.000 0.263 288 P C -2.447 174.874 177.300 0.035 0.000 1.162 288 P CA -0.592 62.530 63.100 0.036 0.000 0.758 288 P CB -0.385 31.339 31.700 0.041 0.000 0.773 289 P HA -0.175 nan 4.420 nan 0.000 0.219 289 P C 1.250 178.562 177.300 0.019 0.000 1.146 289 P CA 1.483 64.594 63.100 0.019 0.000 0.808 289 P CB -0.081 31.627 31.700 0.014 0.000 0.779 290 E N -1.163 119.051 120.200 0.024 0.000 2.478 290 E HA 0.060 4.410 4.350 0.000 0.000 0.194 290 E C 1.265 177.884 176.600 0.031 0.000 1.045 290 E CA 0.601 57.015 56.400 0.022 0.000 0.868 290 E CB -0.520 29.194 29.700 0.022 0.000 0.885 290 E HN 0.088 nan 8.360 nan 0.000 0.505 291 S N 0.460 116.186 115.700 0.043 0.000 2.439 291 S HA 0.003 4.473 4.470 0.000 0.000 0.224 291 S C 1.905 176.535 174.600 0.049 0.000 1.029 291 S CA 0.717 58.953 58.200 0.059 0.000 0.946 291 S CB 0.217 63.465 63.200 0.080 0.000 0.797 291 S HN 0.260 nan 8.310 nan 0.000 0.504 292 V N 1.577 121.513 119.914 0.036 0.000 3.041 292 V HA 0.074 4.194 4.120 0.000 0.000 0.260 292 V C 2.377 178.475 176.094 0.007 0.000 1.105 292 V CA 1.069 63.383 62.300 0.024 0.000 1.125 292 V CB -1.345 30.488 31.823 0.017 0.000 0.730 292 V HN 0.438 nan 8.190 nan 0.000 0.479 293 A N 0.512 123.335 122.820 0.004 0.000 1.898 293 A HA -0.158 4.163 4.320 0.000 0.000 0.216 293 A C 2.314 179.886 177.584 -0.021 0.000 1.181 293 A CA 1.699 53.731 52.037 -0.009 0.000 0.620 293 A CB -0.370 18.626 19.000 -0.006 0.000 0.819 293 A HN 0.505 nan 8.150 nan 0.000 0.442 294 K N -0.731 119.661 120.400 -0.014 0.000 2.432 294 K HA 0.095 4.415 4.320 0.000 0.000 0.196 294 K C 1.478 178.039 176.600 -0.065 0.000 1.038 294 K CA 0.621 56.884 56.287 -0.041 0.000 0.986 294 K CB 0.046 32.533 32.500 -0.023 0.000 0.782 294 K HN 0.278 nan 8.250 nan 0.000 0.485 295 V N 0.606 120.507 119.914 -0.022 0.000 3.129 295 V HA -0.041 4.079 4.120 0.000 0.000 0.259 295 V C 1.894 177.960 176.094 -0.047 0.000 1.116 295 V CA 1.221 63.523 62.300 0.002 0.000 1.127 295 V CB 0.023 31.893 31.823 0.079 0.000 0.742 295 V HN 0.282 nan 8.190 nan 0.000 0.474 296 A N 0.335 123.120 122.820 -0.057 0.000 1.972 296 A HA -0.181 4.139 4.320 0.000 0.000 0.219 296 A C 2.521 180.043 177.584 -0.103 0.000 1.169 296 A CA 2.292 54.289 52.037 -0.067 0.000 0.635 296 A CB -0.617 18.350 19.000 -0.056 0.000 0.810 296 A HN 0.768 nan 8.150 nan 0.000 0.446 297 S N -0.227 115.392 115.700 -0.135 0.000 2.406 297 S HA -0.071 4.399 4.470 0.000 0.000 0.224 297 S C 1.708 176.170 174.600 -0.229 0.000 1.030 297 S CA 1.174 59.277 58.200 -0.162 0.000 0.958 297 S CB -0.991 62.114 63.200 -0.159 0.000 0.811 297 S HN 0.707 nan 8.310 nan 0.000 0.489 298 V N 1.665 121.377 119.914 -0.337 0.000 2.871 298 V HA -0.082 4.038 4.120 0.000 0.000 0.256 298 V C 2.577 178.375 176.094 -0.494 0.000 1.082 298 V CA 1.225 63.224 62.300 -0.502 0.000 1.105 298 V CB -1.630 29.702 31.823 -0.820 0.000 0.713 298 V HN 0.697 nan 8.190 nan 0.000 0.473 299 Q N 0.072 119.649 119.800 -0.371 0.000 2.311 299 Q HA -0.082 4.259 4.340 0.000 0.000 0.203 299 Q C 2.055 177.969 176.000 -0.142 0.000 0.954 299 Q CA 0.809 56.468 55.803 -0.239 0.000 0.885 299 Q CB -0.405 28.280 28.738 -0.087 0.000 0.963 299 Q HN 0.580 nan 8.270 nan 0.000 0.471 300 Q N 1.896 121.614 119.800 -0.137 0.000 1.948 300 Q HA -0.152 4.188 4.340 0.000 0.000 0.205 300 Q C 1.725 177.672 176.000 -0.089 0.000 0.992 300 Q CA 1.644 57.389 55.803 -0.097 0.000 0.849 300 Q CB -0.405 28.276 28.738 -0.096 0.000 0.918 300 Q HN 0.269 nan 8.270 nan 0.000 0.421 301 K N 0.526 120.863 120.400 -0.106 0.000 2.515 301 K HA -0.007 4.313 4.320 0.000 0.000 0.196 301 K C 1.870 178.426 176.600 -0.073 0.000 1.038 301 K CA 0.654 56.889 56.287 -0.087 0.000 0.967 301 K CB -0.588 31.856 32.500 -0.094 0.000 0.780 301 K HN 0.403 nan 8.250 nan 0.000 0.483 302 G N 0.542 109.288 108.800 -0.090 0.000 2.459 302 G HA2 -0.323 3.637 3.960 0.000 0.000 0.217 302 G HA3 -0.323 3.637 3.960 0.000 0.000 0.217 302 G C 1.580 176.483 174.900 0.005 0.000 1.183 302 G CA 0.841 45.909 45.100 -0.052 0.000 0.776 302 G HN 0.271 nan 8.290 nan 0.000 0.552 303 R N 0.175 120.673 120.500 -0.004 0.000 2.075 303 R HA -0.007 4.333 4.340 0.000 0.000 0.232 303 R C 2.495 178.800 176.300 0.007 0.000 1.126 303 R CA 1.530 57.637 56.100 0.012 0.000 0.963 303 R CB -0.307 29.995 30.300 0.003 0.000 0.858 303 R HN 0.514 nan 8.270 nan 0.000 0.435 304 E N -0.118 120.072 120.200 -0.016 0.000 2.118 304 E HA -0.194 4.156 4.350 0.000 0.000 0.195 304 E C 1.708 178.281 176.600 -0.044 0.000 0.992 304 E CA 1.615 57.996 56.400 -0.031 0.000 0.804 304 E CB 0.039 29.711 29.700 -0.047 0.000 0.741 304 E HN 0.457 nan 8.360 nan 0.000 0.458 305 S N 0.309 115.983 115.700 -0.043 0.000 2.382 305 S HA -0.167 4.303 4.470 0.000 0.000 0.228 305 S C 2.003 176.591 174.600 -0.020 0.000 1.027 305 S CA 0.686 58.821 58.200 -0.109 0.000 0.991 305 S CB -0.404 62.773 63.200 -0.039 0.000 0.823 305 S HN 0.146 nan 8.310 nan 0.000 0.469 306 L N 2.085 123.384 121.223 0.126 0.000 2.021 306 L HA -0.150 4.191 4.340 0.000 0.000 0.215 306 L C 2.747 179.686 176.870 0.114 0.000 1.074 306 L CA 1.962 56.913 54.840 0.184 0.000 0.760 306 L CB -1.146 40.979 42.059 0.110 0.000 0.889 306 L HN 0.414 nan 8.230 nan 0.000 0.433 307 E N -0.732 119.489 120.200 0.035 0.000 2.031 307 E HA -0.225 4.125 4.350 0.000 0.000 0.193 307 E C 2.269 178.856 176.600 -0.021 0.000 0.994 307 E CA 1.508 57.913 56.400 0.008 0.000 0.800 307 E CB -0.187 29.506 29.700 -0.012 0.000 0.752 307 E HN 0.456 nan 8.360 nan 0.000 0.447 308 I N 0.263 120.779 120.570 -0.090 0.000 2.151 308 I HA -0.324 3.846 4.170 0.000 0.000 0.243 308 I C 2.149 178.192 176.117 -0.123 0.000 1.080 308 I CA 1.359 62.564 61.300 -0.157 0.000 1.339 308 I CB -0.573 37.255 38.000 -0.287 0.000 1.039 308 I HN 0.154 nan 8.210 nan 0.000 0.409 309 Y N 1.130 121.423 120.300 -0.011 0.000 2.145 309 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 309 Y C 2.758 178.645 175.900 -0.022 0.000 1.145 309 Y CA 1.224 59.318 58.100 -0.010 0.000 1.148 309 Y CB -1.081 37.381 38.460 0.002 0.000 0.981 309 Y HN 0.127 nan 8.280 nan 0.000 0.507 310 A N 0.469 123.374 122.820 0.142 0.000 1.883 310 A HA -0.240 4.080 4.320 0.000 0.000 0.217 310 A C 2.178 179.766 177.584 0.007 0.000 1.186 310 A CA 1.996 54.070 52.037 0.062 0.000 0.624 310 A CB -0.845 18.186 19.000 0.050 0.000 0.822 310 A HN 0.455 nan 8.150 nan 0.000 0.444 311 N N 0.490 119.184 118.700 -0.009 0.000 2.061 311 N HA -0.158 4.583 4.740 0.000 0.000 0.193 311 N C 1.740 177.205 175.510 -0.074 0.000 1.030 311 N CA 1.833 54.859 53.050 -0.041 0.000 0.856 311 N CB -0.620 37.841 38.487 -0.043 0.000 1.023 311 N HN 0.490 nan 8.380 nan 0.000 0.424 312 A N -0.200 122.580 122.820 -0.066 0.000 2.167 312 A HA 0.315 4.635 4.320 0.000 0.000 0.214 312 A C 1.285 178.709 177.584 -0.268 0.000 1.151 312 A CA 0.992 52.963 52.037 -0.110 0.000 0.735 312 A CB -0.486 18.502 19.000 -0.019 0.000 0.802 312 A HN 0.392 nan 8.150 nan 0.000 0.467 313 G N -0.882 107.816 108.800 -0.170 0.000 2.291 313 G HA2 -0.111 3.849 3.960 0.000 0.000 0.271 313 G HA3 -0.111 3.849 3.960 0.000 0.000 0.271 313 G C -0.171 174.708 174.900 -0.035 0.000 1.099 313 G CA 0.051 45.037 45.100 -0.190 0.000 0.919 313 G HN 0.862 nan 8.290 nan 0.000 0.496 314 V N 0.136 120.081 119.914 0.052 0.000 2.383 314 V HA 0.401 4.522 4.120 0.000 0.000 0.275 314 V C 0.938 177.032 176.094 -0.001 0.000 1.036 314 V CA -0.957 61.385 62.300 0.069 0.000 0.889 314 V CB 1.491 33.412 31.823 0.163 0.000 0.985 314 V HN 0.423 nan 8.190 nan 0.000 0.459 315 K N 4.423 124.775 120.400 -0.080 0.000 2.489 315 K HA 0.249 4.569 4.320 0.000 0.000 0.278 315 K C -0.314 176.298 176.600 0.021 0.000 1.000 315 K CA 0.841 57.105 56.287 -0.038 0.000 1.012 315 K CB 0.233 32.656 32.500 -0.128 0.000 0.903 315 K HN 0.595 nan 8.250 nan 0.000 0.485 316 M N 2.052 121.683 119.600 0.052 0.000 2.190 316 M HA 0.328 4.808 4.480 0.000 0.000 0.312 316 M C 0.044 176.381 176.300 0.062 0.000 0.990 316 M CA -0.619 54.686 55.300 0.008 0.000 0.927 316 M CB 2.220 34.813 32.600 -0.012 0.000 1.571 316 M HN 0.735 nan 8.290 nan 0.000 0.427 317 G N 1.723 110.548 108.800 0.042 0.000 2.461 317 G HA2 0.604 4.564 3.960 0.000 0.000 0.329 317 G HA3 0.604 4.564 3.960 0.000 0.000 0.329 317 G C -1.567 173.374 174.900 0.069 0.000 1.170 317 G CA -0.485 44.655 45.100 0.066 0.000 0.935 317 G HN 0.606 nan 8.290 nan 0.000 0.492 318 F N 0.824 120.747 119.950 -0.046 0.000 2.443 318 F HA 0.567 5.094 4.527 0.000 0.000 0.353 318 F C 0.599 176.357 175.800 -0.069 0.000 1.101 318 F CA 0.298 58.247 58.000 -0.085 0.000 1.226 318 F CB 1.177 40.111 39.000 -0.110 0.000 1.140 318 F HN 0.548 nan 8.300 nan 0.000 0.557 319 G N 3.029 111.511 108.800 -0.530 0.000 2.731 319 G HA2 0.413 4.373 3.960 0.000 0.000 0.298 319 G HA3 0.413 4.373 3.960 0.000 0.000 0.298 319 G C -0.621 174.006 174.900 -0.456 0.000 1.424 319 G CA -0.163 44.741 45.100 -0.326 0.000 1.029 319 G HN 0.765 nan 8.290 nan 0.000 0.518 320 S N 1.127 116.688 115.700 -0.231 0.000 2.433 320 S HA 0.161 4.632 4.470 0.000 0.000 0.216 320 S C 0.965 175.506 174.600 -0.098 0.000 1.031 320 S CA 1.072 59.167 58.200 -0.175 0.000 0.931 320 S CB -0.113 63.036 63.200 -0.085 0.000 0.875 320 S HN 0.854 nan 8.310 nan 0.000 0.553 321 D N 0.561 120.980 120.400 0.032 0.000 2.945 321 D HA -0.119 4.521 4.640 0.000 0.000 0.225 321 D C -0.844 175.486 176.300 0.051 0.000 1.158 321 D CA 0.296 54.404 54.000 0.179 0.000 0.805 321 D CB -2.052 38.828 40.800 0.133 0.000 1.098 321 D HN 0.492 nan 8.370 nan 0.000 0.426 322 L N -0.002 121.171 121.223 -0.083 0.000 2.397 322 L HA 0.426 4.766 4.340 0.000 0.000 0.271 322 L C 0.832 177.458 176.870 -0.407 0.000 1.148 322 L CA -0.354 54.352 54.840 -0.224 0.000 0.825 322 L CB 0.736 42.646 42.059 -0.248 0.000 1.117 322 L HN 0.010 nan 8.230 nan 0.000 0.456 323 L N 1.708 122.779 121.223 -0.253 0.000 2.342 323 L HA 0.805 5.145 4.340 0.000 0.000 0.271 323 L C 0.837 177.644 176.870 -0.104 0.000 1.008 323 L CA -0.630 54.112 54.840 -0.163 0.000 0.818 323 L CB 1.443 43.465 42.059 -0.063 0.000 1.296 323 L HN 0.836 nan 8.230 nan 0.000 0.427 324 G N 1.593 110.419 108.800 0.043 0.000 2.547 324 G HA2 -0.276 3.684 3.960 0.000 0.000 0.271 324 G HA3 -0.276 3.684 3.960 0.000 0.000 0.271 324 G C 0.686 175.576 174.900 -0.015 0.000 1.209 324 G CA 0.401 45.500 45.100 -0.001 0.000 0.959 324 G HN 0.850 nan 8.290 nan 0.000 0.563 325 E N 0.328 120.358 120.200 -0.284 0.000 2.274 325 E HA -0.017 4.333 4.350 0.000 0.000 0.194 325 E C 2.527 178.987 176.600 -0.233 0.000 0.996 325 E CA 1.288 57.486 56.400 -0.337 0.000 0.840 325 E CB -0.239 29.074 29.700 -0.646 0.000 0.772 325 E HN 0.670 nan 8.360 nan 0.000 0.491 326 M N 0.748 120.280 119.600 -0.114 0.000 2.706 326 M HA -0.070 4.410 4.480 0.000 0.000 0.251 326 M C 1.242 177.568 176.300 0.044 0.000 1.070 326 M CA 0.785 56.178 55.300 0.155 0.000 1.073 326 M CB -0.531 32.249 32.600 0.300 0.000 1.449 326 M HN 0.152 nan 8.290 nan 0.000 0.531 327 H N -0.304 118.734 119.070 -0.053 0.000 2.491 327 H HA -0.001 4.555 4.556 0.000 0.000 0.290 327 H C 2.112 177.393 175.328 -0.077 0.000 1.050 327 H CA 1.364 57.389 56.048 -0.040 0.000 1.309 327 H CB 0.214 29.941 29.762 -0.058 0.000 1.392 327 H HN 0.455 nan 8.280 nan 0.000 0.554 328 A N 0.075 122.821 122.820 -0.124 0.000 2.019 328 A HA -0.150 4.170 4.320 0.000 0.000 0.219 328 A C 1.451 178.928 177.584 -0.179 0.000 1.164 328 A CA 1.015 52.912 52.037 -0.233 0.000 0.644 328 A CB -0.783 17.948 19.000 -0.449 0.000 0.805 328 A HN 0.431 nan 8.150 nan 0.000 0.449 329 F N -0.223 119.788 119.950 0.102 0.000 2.804 329 F HA 0.029 4.557 4.527 0.000 0.000 0.303 329 F C 2.192 178.067 175.800 0.124 0.000 1.154 329 F CA 0.552 58.618 58.000 0.110 0.000 1.401 329 F CB -0.079 38.980 39.000 0.098 0.000 1.106 329 F HN 0.369 nan 8.300 nan 0.000 0.568 330 Q N 0.455 120.406 119.800 0.252 0.000 2.096 330 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 330 Q C 1.998 178.222 176.000 0.374 0.000 0.982 330 Q CA 2.137 58.075 55.803 0.224 0.000 0.850 330 Q CB -0.038 28.779 28.738 0.133 0.000 0.901 330 Q HN 0.323 nan 8.270 nan 0.000 0.422 331 S N -0.213 115.759 115.700 0.453 0.000 2.428 331 S HA -0.029 4.441 4.470 0.000 0.000 0.230 331 S C 1.752 176.649 174.600 0.496 0.000 1.014 331 S CA 0.661 59.211 58.200 0.583 0.000 0.957 331 S CB -0.228 63.261 63.200 0.482 0.000 0.784 331 S HN 0.659 nan 8.310 nan 0.000 0.499 332 G N 1.561 110.574 108.800 0.356 0.000 2.516 332 G HA2 -0.270 3.690 3.960 0.000 0.000 0.221 332 G HA3 -0.270 3.690 3.960 0.000 0.000 0.221 332 G C 1.206 176.233 174.900 0.212 0.000 1.107 332 G CA 1.152 46.414 45.100 0.270 0.000 0.747 332 G HN 0.565 nan 8.290 nan 0.000 0.567 333 E N -0.109 120.193 120.200 0.169 0.000 2.150 333 E HA -0.074 4.276 4.350 0.000 0.000 0.193 333 E C 1.901 178.565 176.600 0.106 0.000 0.985 333 E CA 0.540 56.927 56.400 -0.021 0.000 0.814 333 E CB -0.354 29.073 29.700 -0.453 0.000 0.752 333 E HN 0.392 nan 8.360 nan 0.000 0.466 334 F N 0.875 121.033 119.950 0.346 0.000 2.065 334 F HA -0.155 4.372 4.527 0.000 0.000 0.298 334 F C 2.598 178.471 175.800 0.123 0.000 1.112 334 F CA 1.836 59.985 58.000 0.249 0.000 1.212 334 F CB -0.542 38.526 39.000 0.114 0.000 0.975 334 F HN 0.034 nan 8.300 nan 0.000 0.476 335 R N 0.383 121.071 120.500 0.313 0.000 2.096 335 R HA -0.148 4.192 4.340 0.000 0.000 0.235 335 R C 2.250 178.629 176.300 0.132 0.000 1.127 335 R CA 1.445 57.655 56.100 0.182 0.000 0.968 335 R CB -0.448 29.941 30.300 0.148 0.000 0.861 335 R HN 0.311 nan 8.270 nan 0.000 0.440 336 I N -0.128 120.512 120.570 0.117 0.000 2.315 336 I HA -0.249 3.921 4.170 0.000 0.000 0.248 336 I C 2.314 178.472 176.117 0.069 0.000 1.117 336 I CA 1.241 62.584 61.300 0.072 0.000 1.404 336 I CB -0.187 37.840 38.000 0.045 0.000 1.071 336 I HN 0.170 nan 8.210 nan 0.000 0.419 337 R N 0.584 121.135 120.500 0.085 0.000 2.119 337 R HA 0.014 4.354 4.340 0.000 0.000 0.222 337 R C 2.460 178.820 176.300 0.100 0.000 1.088 337 R CA 1.118 57.270 56.100 0.086 0.000 0.984 337 R CB -0.272 30.084 30.300 0.094 0.000 0.884 337 R HN 0.302 nan 8.270 nan 0.000 0.447 338 A N 1.327 124.221 122.820 0.123 0.000 1.933 338 A HA -0.183 4.137 4.320 0.000 0.000 0.218 338 A C 1.747 179.373 177.584 0.070 0.000 1.175 338 A CA 1.304 53.401 52.037 0.100 0.000 0.628 338 A CB -0.266 18.797 19.000 0.105 0.000 0.814 338 A HN 0.294 nan 8.150 nan 0.000 0.444 339 E N -0.695 119.545 120.200 0.066 0.000 2.338 339 E HA -0.064 4.287 4.350 0.000 0.000 0.197 339 E C 1.562 178.186 176.600 0.040 0.000 1.007 339 E CA 1.079 57.508 56.400 0.048 0.000 0.849 339 E CB 0.008 29.735 29.700 0.044 0.000 0.774 339 E HN 0.503 nan 8.360 nan 0.000 0.506 340 V N 0.045 119.987 119.914 0.045 0.000 2.806 340 V HA 0.093 4.213 4.120 0.000 0.000 0.239 340 V C 0.711 176.829 176.094 0.039 0.000 1.113 340 V CA 0.460 62.783 62.300 0.038 0.000 1.137 340 V CB 0.149 31.997 31.823 0.041 0.000 0.865 340 V HN 0.034 nan 8.190 nan 0.000 0.482 341 L N -0.360 120.893 121.223 0.050 0.000 2.303 341 L HA 0.812 5.153 4.340 0.000 0.000 0.266 341 L C 0.760 177.661 176.870 0.051 0.000 1.011 341 L CA -0.611 54.258 54.840 0.049 0.000 0.818 341 L CB 0.640 42.734 42.059 0.058 0.000 1.326 341 L HN 0.155 nan 8.230 nan 0.000 0.435 342 G N 0.047 108.874 108.800 0.045 0.000 2.630 342 G HA2 -0.002 3.958 3.960 0.000 0.000 0.236 342 G HA3 -0.002 3.958 3.960 0.000 0.000 0.236 342 G C 0.637 175.570 174.900 0.055 0.000 1.248 342 G CA -0.276 44.850 45.100 0.042 0.000 0.844 342 G HN 0.889 nan 8.290 nan 0.000 0.588 343 N N 0.965 119.694 118.700 0.048 0.000 2.550 343 N HA -0.092 4.648 4.740 0.000 0.000 0.186 343 N C 1.791 177.330 175.510 0.048 0.000 1.110 343 N CA 0.233 53.316 53.050 0.055 0.000 0.912 343 N CB -0.072 38.436 38.487 0.036 0.000 0.968 343 N HN 0.425 nan 8.380 nan 0.000 0.448 344 L N 0.227 121.474 121.223 0.040 0.000 2.005 344 L HA -0.132 4.208 4.340 0.000 0.000 0.207 344 L C 2.302 179.209 176.870 0.062 0.000 1.072 344 L CA 1.767 56.631 54.840 0.040 0.000 0.744 344 L CB -0.255 41.823 42.059 0.031 0.000 0.895 344 L HN 0.126 nan 8.230 nan 0.000 0.433 345 E N 0.104 120.344 120.200 0.068 0.000 2.058 345 E HA -0.232 4.118 4.350 0.000 0.000 0.194 345 E C 2.038 178.708 176.600 0.118 0.000 0.997 345 E CA 1.727 58.176 56.400 0.081 0.000 0.801 345 E CB -0.190 29.553 29.700 0.071 0.000 0.746 345 E HN 0.516 nan 8.360 nan 0.000 0.450 346 A N 0.215 123.120 122.820 0.143 0.000 1.908 346 A HA -0.185 4.135 4.320 0.000 0.000 0.218 346 A C 2.265 180.032 177.584 0.305 0.000 1.181 346 A CA 1.576 53.753 52.037 0.233 0.000 0.627 346 A CB -0.732 18.429 19.000 0.268 0.000 0.818 346 A HN 0.338 nan 8.150 nan 0.000 0.445 347 L N -1.466 119.876 121.223 0.198 0.000 2.156 347 L HA -0.093 4.247 4.340 0.000 0.000 0.208 347 L C 2.806 179.762 176.870 0.145 0.000 1.095 347 L CA 0.774 55.706 54.840 0.154 0.000 0.770 347 L CB -0.400 41.678 42.059 0.032 0.000 0.914 347 L HN 0.339 nan 8.230 nan 0.000 0.439 348 R N -0.118 120.454 120.500 0.121 0.000 2.115 348 R HA -0.120 4.220 4.340 0.000 0.000 0.230 348 R C 2.587 178.958 176.300 0.119 0.000 1.111 348 R CA 1.572 57.734 56.100 0.103 0.000 0.976 348 R CB -0.337 30.014 30.300 0.084 0.000 0.870 348 R HN 0.448 nan 8.270 nan 0.000 0.445 349 S N 0.221 116.007 115.700 0.144 0.000 2.419 349 S HA -0.063 4.407 4.470 0.000 0.000 0.233 349 S C 1.821 176.521 174.600 0.167 0.000 1.016 349 S CA 1.108 59.403 58.200 0.157 0.000 0.974 349 S CB 0.140 63.452 63.200 0.185 0.000 0.786 349 S HN 0.320 nan 8.310 nan 0.000 0.492 350 A N 0.616 123.514 122.820 0.130 0.000 2.348 350 A HA 0.407 4.727 4.320 0.000 0.000 0.224 350 A C 1.808 179.466 177.584 0.123 0.000 1.227 350 A CA 0.683 52.748 52.037 0.046 0.000 0.885 350 A CB -0.175 18.680 19.000 -0.242 0.000 0.933 350 A HN 0.719 nan 8.150 nan 0.000 0.506 351 T N -4.244 110.384 114.554 0.122 0.000 3.426 351 T HA 0.024 4.374 4.350 0.000 0.000 0.195 351 T C 1.942 176.687 174.700 0.075 0.000 0.963 351 T CA 1.291 63.457 62.100 0.110 0.000 1.154 351 T CB -0.897 68.040 68.868 0.115 0.000 1.377 351 T HN 0.258 nan 8.240 nan 0.000 0.342 352 T N 1.280 115.876 114.554 0.071 0.000 2.732 352 T HA -0.007 4.343 4.350 0.000 0.000 0.261 352 T C 2.095 176.831 174.700 0.059 0.000 1.040 352 T CA 1.387 63.521 62.100 0.057 0.000 1.145 352 T CB -1.208 67.693 68.868 0.056 0.000 0.866 352 T HN 0.177 nan 8.240 nan 0.000 0.427 353 V N 2.494 122.457 119.914 0.081 0.000 2.343 353 V HA -0.068 4.052 4.120 0.000 0.000 0.247 353 V C 3.280 179.398 176.094 0.040 0.000 1.051 353 V CA 1.569 63.934 62.300 0.107 0.000 1.036 353 V CB -1.535 30.369 31.823 0.135 0.000 0.654 353 V HN 0.694 nan 8.190 nan 0.000 0.451 354 A N 0.291 123.128 122.820 0.028 0.000 1.877 354 A HA -0.148 4.172 4.320 0.000 0.000 0.216 354 A C 2.462 179.989 177.584 -0.096 0.000 1.186 354 A CA 2.176 54.200 52.037 -0.023 0.000 0.620 354 A CB -0.929 18.099 19.000 0.048 0.000 0.822 354 A HN 0.588 nan 8.150 nan 0.000 0.443 355 A N -0.536 122.254 122.820 -0.050 0.000 1.978 355 A HA -0.225 4.095 4.320 0.000 0.000 0.220 355 A C 2.027 179.537 177.584 -0.124 0.000 1.170 355 A CA 1.950 53.944 52.037 -0.072 0.000 0.636 355 A CB -0.510 18.482 19.000 -0.014 0.000 0.810 355 A HN 0.715 nan 8.150 nan 0.000 0.448 356 E N -0.416 119.716 120.200 -0.113 0.000 2.107 356 E HA -0.093 4.257 4.350 0.000 0.000 0.191 356 E C 1.846 178.216 176.600 -0.382 0.000 0.982 356 E CA 0.749 57.071 56.400 -0.130 0.000 0.809 356 E CB -0.172 29.549 29.700 0.036 0.000 0.756 356 E HN 0.663 nan 8.360 nan 0.000 0.459 357 I N 1.011 121.244 120.570 -0.563 0.000 2.226 357 I HA -0.215 3.955 4.170 0.000 0.000 0.245 357 I C 2.172 177.913 176.117 -0.627 0.000 1.100 357 I CA 1.086 61.869 61.300 -0.862 0.000 1.374 357 I CB 0.014 37.623 38.000 -0.652 0.000 1.057 357 I HN 0.163 nan 8.210 nan 0.000 0.413 358 V N -2.055 117.592 119.914 -0.444 0.000 3.577 358 V HA 0.207 4.327 4.120 0.000 0.000 0.294 358 V C 0.653 176.574 176.094 -0.288 0.000 1.317 358 V CA -0.015 62.022 62.300 -0.439 0.000 1.169 358 V CB -0.854 30.465 31.823 -0.840 0.000 1.011 358 V HN 0.565 nan 8.190 nan 0.000 0.426 359 N N 0.545 119.101 118.700 -0.240 0.000 2.776 359 N HA -0.160 4.580 4.740 0.000 0.000 0.250 359 N C 0.340 175.818 175.510 -0.054 0.000 1.112 359 N CA 1.359 54.338 53.050 -0.118 0.000 0.733 359 N CB -0.900 37.559 38.487 -0.046 0.000 1.097 359 N HN 0.517 nan 8.380 nan 0.000 0.558 360 M N 0.635 120.192 119.600 -0.071 0.000 2.869 360 M HA 0.053 4.534 4.480 0.000 0.000 0.353 360 M C 0.544 176.841 176.300 -0.005 0.000 1.224 360 M CA -0.021 55.273 55.300 -0.010 0.000 0.917 360 M CB 0.309 32.918 32.600 0.015 0.000 1.322 360 M HN 0.060 nan 8.290 nan 0.000 0.516 361 Q N 0.413 120.206 119.800 -0.011 0.000 2.274 361 Q HA 0.279 4.620 4.340 0.000 0.000 0.280 361 Q C 0.852 176.862 176.000 0.016 0.000 1.047 361 Q CA 1.294 57.099 55.803 0.005 0.000 0.907 361 Q CB 0.313 29.058 28.738 0.011 0.000 1.171 361 Q HN 0.684 nan 8.270 nan 0.000 0.381 362 G N 2.768 111.579 108.800 0.019 0.000 2.253 362 G HA2 -0.365 3.595 3.960 0.000 0.000 0.251 362 G HA3 -0.365 3.595 3.960 0.000 0.000 0.251 362 G C 0.831 175.745 174.900 0.024 0.000 0.998 362 G CA 0.577 45.689 45.100 0.021 0.000 0.621 362 G HN 0.547 nan 8.290 nan 0.000 0.524 363 Q N -0.323 119.494 119.800 0.028 0.000 2.200 363 Q HA 0.553 4.894 4.340 0.000 0.000 0.197 363 Q C 1.390 177.414 176.000 0.040 0.000 0.953 363 Q CA 1.020 56.844 55.803 0.037 0.000 0.851 363 Q CB 0.145 28.913 28.738 0.050 0.000 0.938 363 Q HN 0.649 nan 8.270 nan 0.000 0.488 364 L N -2.557 118.691 121.223 0.041 0.000 2.279 364 L HA 0.612 4.952 4.340 0.000 0.000 0.262 364 L C 0.666 177.556 176.870 0.033 0.000 1.019 364 L CA -0.534 54.333 54.840 0.044 0.000 0.823 364 L CB 1.788 43.889 42.059 0.069 0.000 1.358 364 L HN 0.332 nan 8.230 nan 0.000 0.432 365 G N 0.361 109.182 108.800 0.035 0.000 2.153 365 G HA2 -0.199 3.761 3.960 0.000 0.000 0.252 365 G HA3 -0.199 3.761 3.960 0.000 0.000 0.252 365 G C -0.489 174.431 174.900 0.034 0.000 0.994 365 G CA 0.353 45.478 45.100 0.042 0.000 0.698 365 G HN 0.496 nan 8.290 nan 0.000 0.521 366 V N 0.280 120.207 119.914 0.023 0.000 2.924 366 V HA 0.577 4.697 4.120 0.000 0.000 0.300 366 V C -0.500 175.600 176.094 0.009 0.000 1.227 366 V CA -1.046 61.265 62.300 0.017 0.000 0.954 366 V CB 1.795 33.630 31.823 0.019 0.000 1.055 366 V HN 0.315 nan 8.190 nan 0.000 0.429 367 I N 6.333 126.904 120.570 0.003 0.000 2.256 367 I HA 0.688 4.858 4.170 0.000 0.000 0.294 367 I C 0.376 176.497 176.117 0.006 0.000 1.127 367 I CA 0.180 61.480 61.300 -0.000 0.000 1.247 367 I CB 0.714 38.708 38.000 -0.009 0.000 1.460 367 I HN 0.745 nan 8.210 nan 0.000 0.511 368 A N 5.180 128.007 122.820 0.011 0.000 2.569 368 A HA 0.721 5.041 4.320 0.000 0.000 0.290 368 A C -0.657 176.937 177.584 0.017 0.000 1.136 368 A CA -0.558 51.488 52.037 0.015 0.000 0.710 368 A CB 1.422 20.431 19.000 0.015 0.000 1.303 368 A HN 0.181 nan 8.150 nan 0.000 0.413 369 V N 1.106 121.032 119.914 0.019 0.000 2.585 369 V HA 0.435 4.555 4.120 0.000 0.000 0.296 369 V C 1.555 177.658 176.094 0.015 0.000 1.035 369 V CA 1.945 64.255 62.300 0.017 0.000 1.084 369 V CB 0.232 32.065 31.823 0.018 0.000 0.953 369 V HN 2.232 nan 8.190 nan 0.000 0.483 370 G N 3.517 112.325 108.800 0.013 0.000 2.258 370 G HA2 -0.115 3.846 3.960 0.000 0.000 0.233 370 G HA3 -0.115 3.846 3.960 0.000 0.000 0.233 370 G C 0.456 175.365 174.900 0.014 0.000 1.006 370 G CA 0.186 45.294 45.100 0.013 0.000 0.620 370 G HN 1.450 nan 8.290 nan 0.000 0.511 371 A N 0.359 123.188 122.820 0.014 0.000 2.332 371 A HA 0.708 5.029 4.320 0.000 0.000 0.258 371 A C 0.703 178.294 177.584 0.013 0.000 1.087 371 A CA -0.101 51.946 52.037 0.016 0.000 0.802 371 A CB 0.234 19.243 19.000 0.015 0.000 1.042 371 A HN 0.828 nan 8.150 nan 0.000 0.489 372 I N 1.020 121.601 120.570 0.017 0.000 2.648 372 I HA 0.138 4.308 4.170 0.000 0.000 0.284 372 I C 1.156 177.274 176.117 0.003 0.000 1.153 372 I CA 0.171 61.478 61.300 0.013 0.000 1.426 372 I CB 1.017 39.031 38.000 0.023 0.000 1.381 372 I HN 0.673 nan 8.210 nan 0.000 0.571 373 A N 5.231 128.048 122.820 -0.005 0.000 3.026 373 A HA 0.139 4.459 4.320 0.000 0.000 0.272 373 A C -0.408 177.162 177.584 -0.024 0.000 1.782 373 A CA -0.139 51.888 52.037 -0.016 0.000 1.451 373 A CB -0.873 18.116 19.000 -0.019 0.000 1.081 373 A HN 0.625 nan 8.150 nan 0.000 0.611 374 D N 1.564 121.949 120.400 -0.026 0.000 2.472 374 D HA 0.494 5.134 4.640 0.000 0.000 0.234 374 D C -0.672 175.584 176.300 -0.075 0.000 1.088 374 D CA 0.075 54.050 54.000 -0.041 0.000 0.882 374 D CB 0.912 41.700 40.800 -0.019 0.000 1.037 374 D HN 0.149 nan 8.370 nan 0.000 0.520 375 L N 2.048 123.217 121.223 -0.091 0.000 2.362 375 L HA 0.564 4.904 4.340 0.000 0.000 0.271 375 L C -0.219 176.552 176.870 -0.164 0.000 1.002 375 L CA -1.137 53.635 54.840 -0.114 0.000 0.818 375 L CB 1.877 43.889 42.059 -0.079 0.000 1.298 375 L HN 0.028 nan 8.230 nan 0.000 0.420 376 V N 3.088 122.868 119.914 -0.224 0.000 2.459 376 V HA 0.537 4.657 4.120 0.000 0.000 0.295 376 V C -0.165 175.860 176.094 -0.115 0.000 1.029 376 V CA -0.736 61.419 62.300 -0.243 0.000 0.874 376 V CB 2.363 33.877 31.823 -0.514 0.000 0.985 376 V HN 0.450 nan 8.190 nan 0.000 0.438 377 V N 6.313 126.209 119.914 -0.031 0.000 2.370 377 V HA 0.483 4.603 4.120 0.000 0.000 0.283 377 V C -0.585 175.515 176.094 0.010 0.000 1.023 377 V CA -0.526 61.793 62.300 0.032 0.000 0.857 377 V CB 1.548 33.480 31.823 0.181 0.000 0.985 377 V HN 0.544 nan 8.190 nan 0.000 0.443 378 L N 4.273 125.492 121.223 -0.008 0.000 2.356 378 L HA 0.535 4.875 4.340 0.000 0.000 0.277 378 L C -0.398 176.459 176.870 -0.021 0.000 0.996 378 L CA -0.360 54.467 54.840 -0.021 0.000 0.822 378 L CB 1.708 43.754 42.059 -0.022 0.000 1.256 378 L HN 0.651 nan 8.230 nan 0.000 0.413 379 D N 3.421 123.805 120.400 -0.027 0.000 2.402 379 D HA 0.545 5.185 4.640 0.000 0.000 0.235 379 D C 0.328 176.613 176.300 -0.025 0.000 1.226 379 D CA 1.186 55.171 54.000 -0.025 0.000 0.918 379 D CB 0.160 40.942 40.800 -0.031 0.000 1.043 379 D HN 0.832 nan 8.370 nan 0.000 0.506 380 G N 2.897 111.682 108.800 -0.025 0.000 2.371 380 G HA2 -0.037 3.923 3.960 0.000 0.000 0.663 380 G HA3 -0.037 3.923 3.960 0.000 0.000 0.663 380 G C -1.119 173.762 174.900 -0.031 0.000 1.311 380 G CA -1.042 44.043 45.100 -0.025 0.000 0.985 380 G HN 0.594 nan 8.290 nan 0.000 0.566 381 N N 0.869 119.551 118.700 -0.030 0.000 2.479 381 N HA 0.648 5.389 4.740 0.000 0.000 0.261 381 N C -0.740 174.746 175.510 -0.040 0.000 0.979 381 N CA -1.815 51.214 53.050 -0.034 0.000 0.930 381 N CB 2.474 40.944 38.487 -0.027 0.000 1.172 381 N HN 0.199 nan 8.380 nan 0.000 0.499 382 P HA -0.093 nan 4.420 nan 0.000 0.225 382 P C 1.221 178.485 177.300 -0.060 0.000 1.156 382 P CA 0.300 63.350 63.100 -0.082 0.000 0.787 382 P CB 0.447 32.071 31.700 -0.126 0.000 0.802 383 L N -0.088 121.111 121.223 -0.040 0.000 2.275 383 L HA -0.049 4.291 4.340 0.000 0.000 0.215 383 L C 2.166 179.027 176.870 -0.014 0.000 1.119 383 L CA 1.835 56.661 54.840 -0.023 0.000 0.790 383 L CB -1.204 40.844 42.059 -0.018 0.000 0.919 383 L HN -0.036 nan 8.230 nan 0.000 0.443 384 E N -2.002 118.188 120.200 -0.016 0.000 2.306 384 E HA 0.006 4.356 4.350 0.000 0.000 0.201 384 E C -0.067 176.528 176.600 -0.008 0.000 0.874 384 E CA 0.022 56.417 56.400 -0.008 0.000 0.972 384 E CB 0.655 30.352 29.700 -0.006 0.000 0.957 384 E HN 0.142 nan 8.360 nan 0.000 0.492 385 D N 0.387 120.777 120.400 -0.016 0.000 2.460 385 D HA 0.085 4.725 4.640 0.000 0.000 0.232 385 D C 0.301 176.583 176.300 -0.030 0.000 1.079 385 D CA -0.275 53.717 54.000 -0.014 0.000 0.864 385 D CB 1.077 41.871 40.800 -0.011 0.000 1.048 385 D HN -0.039 nan 8.370 nan 0.000 0.523 386 I N 3.350 123.907 120.570 -0.020 0.000 2.756 386 I HA 0.068 4.238 4.170 0.000 0.000 0.262 386 I C 2.021 178.115 176.117 -0.038 0.000 1.225 386 I CA 1.026 62.303 61.300 -0.037 0.000 1.472 386 I CB -0.251 37.757 38.000 0.013 0.000 1.094 386 I HN 0.578 nan 8.210 nan 0.000 0.454 387 G N -0.123 108.671 108.800 -0.009 0.000 2.470 387 G HA2 -0.198 3.762 3.960 0.000 0.000 0.220 387 G HA3 -0.198 3.762 3.960 0.000 0.000 0.220 387 G C 1.701 176.594 174.900 -0.012 0.000 1.121 387 G CA 1.022 46.127 45.100 0.008 0.000 0.766 387 G HN 0.471 nan 8.290 nan 0.000 0.553 388 V N -1.092 118.798 119.914 -0.040 0.000 2.913 388 V HA -0.014 4.106 4.120 0.000 0.000 0.260 388 V C 2.161 178.215 176.094 -0.068 0.000 1.098 388 V CA 1.762 64.036 62.300 -0.044 0.000 1.121 388 V CB -0.128 31.668 31.823 -0.046 0.000 0.714 388 V HN 0.142 nan 8.190 nan 0.000 0.487 389 V N 0.097 119.926 119.914 -0.142 0.000 3.212 389 V HA 0.454 4.574 4.120 0.000 0.000 0.244 389 V C 2.335 178.371 176.094 -0.098 0.000 1.151 389 V CA 0.915 63.065 62.300 -0.251 0.000 1.119 389 V CB 0.018 31.381 31.823 -0.768 0.000 0.838 389 V HN 0.541 nan 8.190 nan 0.000 0.470 390 A N -0.214 122.602 122.820 -0.006 0.000 2.532 390 A HA 0.237 4.558 4.320 0.000 0.000 0.273 390 A C 0.584 178.266 177.584 0.164 0.000 1.342 390 A CA 0.303 52.441 52.037 0.168 0.000 0.929 390 A CB -0.485 18.635 19.000 0.200 0.000 1.051 390 A HN 0.412 nan 8.150 nan 0.000 0.521 391 D N 0.171 120.646 120.400 0.125 0.000 3.008 391 D HA 0.200 4.840 4.640 0.000 0.000 0.312 391 D C 0.476 176.849 176.300 0.121 0.000 1.361 391 D CA -0.028 54.040 54.000 0.114 0.000 0.858 391 D CB -0.143 40.700 40.800 0.072 0.000 1.098 391 D HN 0.239 nan 8.370 nan 0.000 0.482 392 E N -0.373 119.923 120.200 0.160 0.000 3.370 392 E HA -0.300 4.050 4.350 0.000 0.000 0.291 392 E C 0.939 177.622 176.600 0.138 0.000 0.916 392 E CA 1.076 57.562 56.400 0.144 0.000 0.981 392 E CB -1.084 28.670 29.700 0.091 0.000 1.498 392 E HN 0.711 nan 8.360 nan 0.000 0.452 393 G N -0.827 108.059 108.800 0.143 0.000 4.045 393 G HA2 -0.211 3.749 3.960 0.000 0.000 0.261 393 G HA3 -0.211 3.749 3.960 0.000 0.000 0.261 393 G C 0.977 175.914 174.900 0.061 0.000 1.772 393 G CA 2.197 47.363 45.100 0.109 0.000 1.264 393 G HN 1.469 nan 8.290 nan 0.000 0.609 394 A N -0.803 122.043 122.820 0.043 0.000 1.468 394 A HA -0.398 3.922 4.320 0.000 0.000 0.224 394 A C 1.618 179.202 177.584 0.000 0.000 0.358 394 A CA 3.050 55.100 52.037 0.021 0.000 1.097 394 A CB -1.406 17.612 19.000 0.030 0.000 1.465 394 A HN 1.603 nan 8.150 nan 0.000 0.719 395 R N -0.866 119.635 120.500 0.001 0.000 2.552 395 R HA 0.415 4.755 4.340 0.000 0.000 0.314 395 R C -0.098 176.185 176.300 -0.029 0.000 1.041 395 R CA 0.708 56.798 56.100 -0.017 0.000 1.076 395 R CB 0.889 31.180 30.300 -0.014 0.000 1.290 395 R HN 0.670 nan 8.270 nan 0.000 0.563 396 V N 1.746 121.642 119.914 -0.029 0.000 2.347 396 V HA 0.196 4.316 4.120 0.000 0.000 0.280 396 V C 0.506 176.542 176.094 -0.097 0.000 1.021 396 V CA -0.285 61.986 62.300 -0.048 0.000 0.847 396 V CB 1.401 33.209 31.823 -0.026 0.000 0.990 396 V HN 0.385 nan 8.190 nan 0.000 0.444 397 E N 5.544 125.648 120.200 -0.159 0.000 2.490 397 E HA 0.106 4.456 4.350 0.000 0.000 0.209 397 E C -0.932 175.346 176.600 -0.536 0.000 0.971 397 E CA -0.044 56.151 56.400 -0.342 0.000 0.988 397 E CB 0.559 30.001 29.700 -0.430 0.000 1.029 397 E HN 0.639 nan 8.360 nan 0.000 0.496 398 Y N 0.336 120.603 120.300 -0.056 0.000 2.442 398 Y HA 0.463 5.013 4.550 0.000 0.000 0.344 398 Y C -0.571 175.277 175.900 -0.088 0.000 0.976 398 Y CA -1.089 56.974 58.100 -0.062 0.000 1.040 398 Y CB 2.508 40.933 38.460 -0.059 0.000 1.228 398 Y HN -0.236 nan 8.280 nan 0.000 0.451 399 V N 5.091 125.058 119.914 0.088 0.000 2.483 399 V HA 0.435 4.555 4.120 0.000 0.000 0.297 399 V C -0.868 175.225 176.094 -0.002 0.000 1.027 399 V CA -0.711 61.583 62.300 -0.010 0.000 0.855 399 V CB 1.652 33.449 31.823 -0.043 0.000 0.995 399 V HN 0.493 nan 8.190 nan 0.000 0.424 400 L N 4.081 125.283 121.223 -0.035 0.000 2.317 400 L HA 0.640 4.980 4.340 0.000 0.000 0.281 400 L C -0.137 176.707 176.870 -0.043 0.000 1.024 400 L CA 0.239 55.057 54.840 -0.037 0.000 0.810 400 L CB 1.685 43.714 42.059 -0.049 0.000 1.240 400 L HN 0.715 nan 8.230 nan 0.000 0.427 401 Q N 2.940 122.721 119.800 -0.032 0.000 2.292 401 Q HA 0.429 4.769 4.340 0.000 0.000 0.270 401 Q C -0.723 175.262 176.000 -0.025 0.000 1.024 401 Q CA -0.739 55.047 55.803 -0.028 0.000 0.768 401 Q CB 1.255 29.979 28.738 -0.025 0.000 1.250 401 Q HN 0.421 nan 8.270 nan 0.000 0.447 402 R N 2.843 123.330 120.500 -0.021 0.000 3.092 402 R HA -0.338 4.002 4.340 0.000 0.000 0.245 402 R C 0.642 176.930 176.300 -0.020 0.000 0.881 402 R CA 0.798 56.888 56.100 -0.018 0.000 0.614 402 R CB -1.822 28.465 30.300 -0.021 0.000 1.128 402 R HN 1.173 nan 8.270 nan 0.000 0.483 403 G N -1.217 107.570 108.800 -0.021 0.000 3.909 403 G HA2 -0.434 3.526 3.960 0.000 0.000 0.218 403 G HA3 -0.434 3.526 3.960 0.000 0.000 0.218 403 G C 0.276 175.159 174.900 -0.028 0.000 1.404 403 G CA 0.682 45.768 45.100 -0.024 0.000 0.905 403 G HN 0.801 nan 8.290 nan 0.000 0.589 404 T N 0.787 115.326 114.554 -0.026 0.000 2.882 404 T HA 0.577 4.927 4.350 0.000 0.000 0.287 404 T C 0.232 174.918 174.700 -0.023 0.000 1.014 404 T CA 0.301 62.386 62.100 -0.025 0.000 1.049 404 T CB 1.446 70.302 68.868 -0.021 0.000 1.001 404 T HN 1.344 nan 8.240 nan 0.000 0.525 405 L N 4.643 125.855 121.223 -0.018 0.000 2.265 405 L HA 0.495 4.835 4.340 0.000 0.000 0.288 405 L C 0.441 177.318 176.870 0.011 0.000 1.058 405 L CA -0.006 54.832 54.840 -0.003 0.000 0.809 405 L CB 1.058 43.116 42.059 -0.002 0.000 1.179 405 L HN 0.637 nan 8.230 nan 0.000 0.429 406 V N 2.359 122.282 119.914 0.015 0.000 3.570 406 V HA 0.373 4.493 4.120 0.000 0.000 0.257 406 V C 0.429 176.533 176.094 0.015 0.000 1.272 406 V CA 0.107 62.412 62.300 0.008 0.000 1.079 406 V CB -0.480 31.341 31.823 -0.004 0.000 0.829 406 V HN 0.605 nan 8.190 nan 0.000 0.454 407 K N 1.629 122.048 120.400 0.031 0.000 2.427 407 K HA 0.577 4.897 4.320 0.000 0.000 0.252 407 K C -1.086 175.540 176.600 0.044 0.000 0.931 407 K CA -0.402 55.898 56.287 0.021 0.000 0.793 407 K CB 3.083 35.582 32.500 -0.001 0.000 1.211 407 K HN 0.136 nan 8.250 nan 0.000 0.426 408 R N 3.120 123.621 120.500 0.002 0.000 2.435 408 R HA 0.254 4.594 4.340 0.000 0.000 0.308 408 R C -0.793 175.428 176.300 -0.133 0.000 0.975 408 R CA -0.140 55.922 56.100 -0.063 0.000 0.867 408 R CB 1.003 31.324 30.300 0.035 0.000 1.171 408 R HN 0.678 nan 8.270 nan 0.000 0.470 409 Q N 0.000 119.658 119.800 -0.236 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 28.665 28.738 -0.121 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481