REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n2c_1_D DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.690 174.700 -0.017 0.000 1.109 2 T CA 0.000 62.091 62.100 -0.015 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 3 I N 1.899 122.458 120.570 -0.019 0.000 2.644 3 I HA 0.682 4.854 4.170 0.004 0.000 0.291 3 I C -1.851 174.250 176.117 -0.027 0.000 1.180 3 I CA -0.266 61.020 61.300 -0.022 0.000 1.040 3 I CB 2.171 40.158 38.000 -0.021 0.000 1.255 3 I HN 0.173 nan 8.210 nan 0.000 0.422 4 T N 6.041 120.577 114.554 -0.030 0.000 2.863 4 T HA 0.649 5.001 4.350 0.004 0.000 0.285 4 T C -0.911 173.767 174.700 -0.038 0.000 1.009 4 T CA -0.629 61.448 62.100 -0.039 0.000 0.989 4 T CB 2.094 70.935 68.868 -0.046 0.000 1.004 4 T HN 0.299 nan 8.240 nan 0.000 0.455 5 V N 3.684 123.572 119.914 -0.043 0.000 2.483 5 V HA 0.388 4.510 4.120 0.004 0.000 0.297 5 V C -0.507 175.567 176.094 -0.033 0.000 1.027 5 V CA -0.897 61.385 62.300 -0.030 0.000 0.855 5 V CB 1.410 33.211 31.823 -0.036 0.000 0.995 5 V HN 0.735 nan 8.190 nan 0.000 0.424 6 L N 6.006 127.218 121.223 -0.019 0.000 2.281 6 L HA 0.496 4.839 4.340 0.004 0.000 0.285 6 L C 0.409 177.322 176.870 0.070 0.000 1.074 6 L CA -0.200 54.624 54.840 -0.027 0.000 0.817 6 L CB 0.596 42.625 42.059 -0.051 0.000 1.168 6 L HN 0.701 nan 8.230 nan 0.000 0.434 7 Q N 2.234 122.087 119.800 0.089 0.000 2.290 7 Q HA 0.532 4.875 4.340 0.004 0.000 0.259 7 Q C 0.610 176.672 176.000 0.103 0.000 0.941 7 Q CA -0.424 55.538 55.803 0.264 0.000 0.912 7 Q CB 1.780 30.654 28.738 0.226 0.000 1.244 7 Q HN 0.836 nan 8.270 nan 0.000 0.441 8 G N 2.142 110.875 108.800 -0.110 0.000 2.176 8 G HA2 -0.245 3.718 3.960 0.004 0.000 0.252 8 G HA3 -0.245 3.718 3.960 0.004 0.000 0.252 8 G C 0.342 175.176 174.900 -0.109 0.000 1.024 8 G CA -0.181 44.822 45.100 -0.162 0.000 0.755 8 G HN 0.992 nan 8.290 nan 0.000 0.507 9 G N -0.689 108.045 108.800 -0.111 0.000 2.572 9 G HA2 0.473 4.436 3.960 0.004 0.000 0.261 9 G HA3 0.473 4.436 3.960 0.004 0.000 0.261 9 G C 0.039 174.875 174.900 -0.107 0.000 1.197 9 G CA -0.395 44.652 45.100 -0.089 0.000 0.870 9 G HN 0.485 nan 8.290 nan 0.000 0.548 10 N N 0.053 118.687 118.700 -0.110 0.000 2.767 10 N HA 0.296 5.039 4.740 0.004 0.000 0.238 10 N C -0.387 175.079 175.510 -0.072 0.000 1.083 10 N CA -0.522 52.468 53.050 -0.100 0.000 0.964 10 N CB 1.811 40.226 38.487 -0.121 0.000 1.252 10 N HN 0.182 nan 8.380 nan 0.000 0.512 11 V N 2.647 122.519 119.914 -0.069 0.000 2.529 11 V HA -0.002 4.120 4.120 0.004 0.000 0.292 11 V C 0.544 176.580 176.094 -0.097 0.000 1.028 11 V CA -0.197 62.053 62.300 -0.083 0.000 1.074 11 V CB 0.721 32.487 31.823 -0.096 0.000 0.958 11 V HN 0.587 nan 8.190 nan 0.000 0.481 12 L N 4.996 126.177 121.223 -0.070 0.000 2.290 12 L HA 0.370 4.713 4.340 0.004 0.000 0.284 12 L C 0.102 176.939 176.870 -0.055 0.000 1.078 12 L CA -0.076 54.730 54.840 -0.056 0.000 0.815 12 L CB 0.879 42.917 42.059 -0.035 0.000 1.162 12 L HN 0.631 nan 8.230 nan 0.000 0.435 13 D N 4.589 124.956 120.400 -0.055 0.000 2.392 13 D HA 0.200 4.843 4.640 0.004 0.000 0.228 13 D C 0.661 176.949 176.300 -0.019 0.000 1.074 13 D CA -0.236 53.738 54.000 -0.044 0.000 0.838 13 D CB 1.637 42.402 40.800 -0.058 0.000 1.067 13 D HN 0.452 nan 8.370 nan 0.000 0.511 14 L N 3.154 124.374 121.223 -0.005 0.000 2.127 14 L HA -0.035 4.308 4.340 0.004 0.000 0.203 14 L C 2.345 179.225 176.870 0.016 0.000 1.080 14 L CA 0.559 55.406 54.840 0.012 0.000 0.768 14 L CB -0.128 41.946 42.059 0.025 0.000 0.924 14 L HN 0.456 nan 8.230 nan 0.000 0.444 15 E N 0.430 120.637 120.200 0.013 0.000 2.418 15 E HA -0.150 4.203 4.350 0.004 0.000 0.197 15 E C 1.751 178.358 176.600 0.011 0.000 1.026 15 E CA 0.688 57.097 56.400 0.016 0.000 0.862 15 E CB -0.006 29.704 29.700 0.016 0.000 0.799 15 E HN 0.528 nan 8.360 nan 0.000 0.518 16 R N -0.120 120.381 120.500 0.003 0.000 2.225 16 R HA 0.137 4.480 4.340 0.004 0.000 0.194 16 R C 1.020 177.321 176.300 0.001 0.000 0.957 16 R CA 0.552 56.651 56.100 -0.001 0.000 1.042 16 R CB 0.590 30.884 30.300 -0.011 0.000 1.004 16 R HN 0.298 nan 8.270 nan 0.000 0.509 17 G N 1.590 110.390 108.800 0.001 0.000 2.149 17 G HA2 -0.225 3.737 3.960 0.004 0.000 0.235 17 G HA3 -0.225 3.737 3.960 0.004 0.000 0.235 17 G C -0.069 174.830 174.900 -0.003 0.000 1.018 17 G CA 0.242 45.344 45.100 0.005 0.000 0.728 17 G HN 0.242 nan 8.290 nan 0.000 0.508 18 V N -2.964 116.942 119.914 -0.014 0.000 3.114 18 V HA 0.785 4.907 4.120 0.004 0.000 0.308 18 V C 0.505 176.577 176.094 -0.037 0.000 1.168 18 V CA -1.711 60.577 62.300 -0.020 0.000 1.015 18 V CB 2.104 33.917 31.823 -0.018 0.000 1.050 18 V HN 0.263 nan 8.190 nan 0.000 0.433 19 L N 2.526 123.727 121.223 -0.037 0.000 2.319 19 L HA 0.417 4.760 4.340 0.004 0.000 0.280 19 L C -0.379 176.450 176.870 -0.068 0.000 1.099 19 L CA -0.364 54.444 54.840 -0.054 0.000 0.828 19 L CB 1.084 43.116 42.059 -0.045 0.000 1.150 19 L HN 0.548 nan 8.230 nan 0.000 0.442 20 L N 5.161 126.307 121.223 -0.128 0.000 2.358 20 L HA 0.171 4.514 4.340 0.004 0.000 0.274 20 L C 0.669 177.526 176.870 -0.022 0.000 1.136 20 L CA -0.612 54.103 54.840 -0.208 0.000 0.970 20 L CB -0.039 41.637 42.059 -0.638 0.000 1.314 20 L HN 0.615 nan 8.230 nan 0.000 0.427 21 E N 3.410 123.651 120.200 0.069 0.000 2.398 21 E HA -0.062 4.291 4.350 0.004 0.000 0.263 21 E C 0.062 176.755 176.600 0.156 0.000 1.046 21 E CA -0.354 56.060 56.400 0.024 0.000 0.908 21 E CB 0.332 30.015 29.700 -0.029 0.000 0.963 21 E HN 0.518 nan 8.360 nan 0.000 0.431 22 H N 0.488 119.574 119.070 0.026 0.000 2.692 22 H HA -0.169 4.390 4.556 0.004 0.000 0.316 22 H C -0.778 174.398 175.328 -0.254 0.000 1.176 22 H CA 1.171 57.154 56.048 -0.109 0.000 1.142 22 H CB -2.012 27.682 29.762 -0.113 0.000 1.475 22 H HN 0.537 nan 8.280 nan 0.000 0.423 23 H N 0.005 118.973 119.070 -0.171 0.000 2.499 23 H HA 0.375 4.933 4.556 0.004 0.000 0.340 23 H C 0.732 175.902 175.328 -0.264 0.000 1.148 23 H CA -0.430 55.506 56.048 -0.186 0.000 1.215 23 H CB 0.990 30.710 29.762 -0.069 0.000 1.529 23 H HN 0.264 nan 8.280 nan 0.000 0.510 24 H N 1.121 120.246 119.070 0.091 0.000 2.483 24 H HA 0.393 4.951 4.556 0.004 0.000 0.338 24 H C -0.531 174.824 175.328 0.044 0.000 1.152 24 H CA -0.687 55.386 56.048 0.042 0.000 1.264 24 H CB 1.537 31.305 29.762 0.010 0.000 1.510 24 H HN 0.218 nan 8.280 nan 0.000 0.530 25 V N 2.859 122.852 119.914 0.132 0.000 2.495 25 V HA 0.202 4.325 4.120 0.004 0.000 0.298 25 V C 0.034 176.155 176.094 0.045 0.000 1.031 25 V CA -0.834 61.507 62.300 0.068 0.000 0.871 25 V CB 1.855 33.692 31.823 0.023 0.000 0.988 25 V HN 0.438 nan 8.190 nan 0.000 0.432 26 V N 5.621 125.553 119.914 0.030 0.000 2.384 26 V HA 0.490 4.612 4.120 0.004 0.000 0.287 26 V C -0.289 175.804 176.094 -0.002 0.000 1.020 26 V CA -0.507 61.797 62.300 0.007 0.000 0.850 26 V CB 1.607 33.431 31.823 0.002 0.000 0.987 26 V HN 0.597 nan 8.190 nan 0.000 0.436 27 I N 3.482 124.045 120.570 -0.012 0.000 2.321 27 I HA 0.433 4.606 4.170 0.004 0.000 0.291 27 I C -0.377 175.731 176.117 -0.015 0.000 0.998 27 I CA -0.340 60.951 61.300 -0.015 0.000 1.227 27 I CB 1.370 39.356 38.000 -0.022 0.000 1.368 27 I HN 0.602 nan 8.210 nan 0.000 0.466 28 D N 4.561 124.955 120.400 -0.011 0.000 2.441 28 D HA 0.555 5.198 4.640 0.004 0.000 0.231 28 D C 0.812 177.106 176.300 -0.010 0.000 1.073 28 D CA 0.687 54.680 54.000 -0.011 0.000 0.850 28 D CB 1.281 42.076 40.800 -0.008 0.000 1.062 28 D HN 0.841 nan 8.370 nan 0.000 0.524 29 G N 4.215 113.008 108.800 -0.012 0.000 2.687 29 G HA2 -0.339 3.623 3.960 0.004 0.000 0.303 29 G HA3 -0.339 3.623 3.960 0.004 0.000 0.303 29 G C 0.770 175.663 174.900 -0.013 0.000 1.209 29 G CA 0.447 45.540 45.100 -0.011 0.000 0.968 29 G HN 0.551 nan 8.290 nan 0.000 0.549 30 E N 0.957 121.151 120.200 -0.010 0.000 2.526 30 E HA 0.241 4.593 4.350 0.004 0.000 0.208 30 E C 1.071 177.666 176.600 -0.008 0.000 0.997 30 E CA -0.122 56.272 56.400 -0.010 0.000 0.961 30 E CB 0.893 30.588 29.700 -0.009 0.000 1.030 30 E HN 0.414 nan 8.360 nan 0.000 0.483 31 R N 0.630 121.127 120.500 -0.006 0.000 2.854 31 R HA 0.516 4.858 4.340 0.004 0.000 0.271 31 R C -0.413 175.885 176.300 -0.004 0.000 0.996 31 R CA -0.816 55.282 56.100 -0.003 0.000 0.961 31 R CB 2.009 32.310 30.300 0.001 0.000 1.182 31 R HN -0.080 nan 8.270 nan 0.000 0.479 32 I N 2.306 122.875 120.570 -0.002 0.000 2.371 32 I HA 0.027 4.200 4.170 0.004 0.000 0.290 32 I C 1.334 177.453 176.117 0.003 0.000 1.028 32 I CA -0.106 61.193 61.300 -0.001 0.000 1.345 32 I CB 1.367 39.367 38.000 -0.000 0.000 1.407 32 I HN 0.525 nan 8.210 nan 0.000 0.501 33 V N 1.302 121.219 119.914 0.004 0.000 3.570 33 V HA 0.352 4.475 4.120 0.004 0.000 0.257 33 V C 0.442 176.543 176.094 0.012 0.000 1.272 33 V CA 0.203 62.506 62.300 0.006 0.000 1.079 33 V CB -0.009 31.815 31.823 0.002 0.000 0.829 33 V HN 0.803 nan 8.190 nan 0.000 0.454 34 E N -0.137 120.074 120.200 0.018 0.000 2.321 34 E HA 0.611 4.963 4.350 0.004 0.000 0.281 34 E C -2.064 174.566 176.600 0.050 0.000 0.910 34 E CA -0.457 55.962 56.400 0.030 0.000 0.770 34 E CB 3.022 32.736 29.700 0.025 0.000 1.225 34 E HN 0.059 nan 8.360 nan 0.000 0.417 35 V N 3.502 123.456 119.914 0.066 0.000 2.340 35 V HA 0.461 4.584 4.120 0.004 0.000 0.277 35 V C -0.372 175.821 176.094 0.165 0.000 1.017 35 V CA -0.399 61.962 62.300 0.101 0.000 0.820 35 V CB 1.410 33.269 31.823 0.060 0.000 1.028 35 V HN 0.684 nan 8.190 nan 0.000 0.436 36 T N 1.503 116.177 114.554 0.201 0.000 2.883 36 T HA 0.361 4.714 4.350 0.004 0.000 0.301 36 T C 0.191 174.941 174.700 0.084 0.000 1.158 36 T CA -0.245 61.964 62.100 0.183 0.000 1.007 36 T CB 1.971 70.901 68.868 0.103 0.000 1.186 36 T HN 0.734 nan 8.240 nan 0.000 0.499 37 D N 1.475 121.751 120.400 -0.207 0.000 2.350 37 D HA 0.049 4.692 4.640 0.004 0.000 0.213 37 D C 0.522 176.806 176.300 -0.028 0.000 1.031 37 D CA -0.162 53.622 54.000 -0.360 0.000 0.861 37 D CB 0.154 40.500 40.800 -0.756 0.000 0.926 37 D HN 0.183 nan 8.370 nan 0.000 0.520 38 R N 2.059 122.574 120.500 0.024 0.000 2.570 38 R HA 0.152 4.495 4.340 0.004 0.000 0.277 38 R C -2.126 174.197 176.300 0.039 0.000 1.039 38 R CA -1.224 54.894 56.100 0.029 0.000 1.065 38 R CB -0.265 30.041 30.300 0.010 0.000 0.964 38 R HN 0.173 nan 8.270 nan 0.000 0.428 39 P HA -0.055 nan 4.420 nan 0.000 0.260 39 P C 0.149 177.353 177.300 -0.160 0.000 1.207 39 P CA 0.161 63.207 63.100 -0.090 0.000 0.780 39 P CB 0.485 32.158 31.700 -0.045 0.000 0.789 40 V N 3.719 123.441 119.914 -0.320 0.000 2.686 40 V HA 0.028 4.151 4.120 0.004 0.000 0.295 40 V C 0.462 176.464 176.094 -0.153 0.000 1.055 40 V CA -0.019 62.143 62.300 -0.230 0.000 1.050 40 V CB 0.430 32.077 31.823 -0.294 0.000 0.984 40 V HN 0.364 nan 8.190 nan 0.000 0.482 41 D N 5.213 125.555 120.400 -0.097 0.000 2.455 41 D HA 0.217 4.859 4.640 0.004 0.000 0.234 41 D C 0.034 176.294 176.300 -0.067 0.000 1.224 41 D CA -0.004 53.954 54.000 -0.070 0.000 0.999 41 D CB -0.221 40.550 40.800 -0.048 0.000 1.072 41 D HN 0.546 nan 8.370 nan 0.000 0.514 42 L N 2.208 123.386 121.223 -0.075 0.000 2.295 42 L HA 0.542 4.885 4.340 0.004 0.000 0.288 42 L C -1.919 174.924 176.870 -0.045 0.000 1.079 42 L CA -1.010 53.792 54.840 -0.063 0.000 0.830 42 L CB 0.547 42.563 42.059 -0.072 0.000 1.200 42 L HN 0.092 nan 8.230 nan 0.000 0.438 43 P HA 0.095 nan 4.420 nan 0.000 0.186 43 P C 0.200 177.485 177.300 -0.026 0.000 1.117 43 P CA 0.097 63.179 63.100 -0.029 0.000 0.832 43 P CB 0.345 32.030 31.700 -0.026 0.000 0.713 44 N N -0.177 118.510 118.700 -0.023 0.000 2.375 44 N HA 0.262 5.005 4.740 0.004 0.000 0.220 44 N C -0.117 175.380 175.510 -0.023 0.000 1.170 44 N CA -0.357 52.681 53.050 -0.021 0.000 0.833 44 N CB -0.119 38.358 38.487 -0.017 0.000 1.069 44 N HN 0.202 nan 8.380 nan 0.000 0.479 45 A N 0.441 123.245 122.820 -0.027 0.000 2.271 45 A HA 0.233 4.555 4.320 0.004 0.000 0.288 45 A C -0.103 177.462 177.584 -0.031 0.000 1.094 45 A CA -0.342 51.676 52.037 -0.030 0.000 0.828 45 A CB 0.857 19.835 19.000 -0.036 0.000 1.091 45 A HN 0.424 nan 8.150 nan 0.000 0.493 46 Q N 0.242 120.022 119.800 -0.033 0.000 2.331 46 Q HA 0.592 4.935 4.340 0.004 0.000 0.267 46 Q C -0.896 175.076 176.000 -0.046 0.000 1.006 46 Q CA -0.648 55.133 55.803 -0.035 0.000 0.818 46 Q CB 1.711 30.429 28.738 -0.033 0.000 1.276 46 Q HN 0.922 nan 8.270 nan 0.000 0.450 47 A N 4.621 127.414 122.820 -0.046 0.000 2.320 47 A HA 0.780 5.102 4.320 0.004 0.000 0.334 47 A C -0.803 176.734 177.584 -0.078 0.000 1.147 47 A CA -0.684 51.321 52.037 -0.053 0.000 0.820 47 A CB 0.840 19.818 19.000 -0.036 0.000 1.218 47 A HN 0.779 nan 8.150 nan 0.000 0.482 48 I N 1.183 121.688 120.570 -0.109 0.000 2.478 48 I HA 0.222 4.395 4.170 0.004 0.000 0.287 48 I C -1.236 174.808 176.117 -0.122 0.000 1.042 48 I CA -0.718 60.473 61.300 -0.182 0.000 1.067 48 I CB 2.197 39.956 38.000 -0.402 0.000 1.233 48 I HN 0.456 nan 8.210 nan 0.000 0.431 49 D N 6.204 126.567 120.400 -0.063 0.000 2.367 49 D HA 0.122 4.764 4.640 0.004 0.000 0.255 49 D C 0.371 176.674 176.300 0.006 0.000 1.300 49 D CA 0.280 54.277 54.000 -0.005 0.000 0.959 49 D CB 1.080 41.896 40.800 0.027 0.000 1.064 49 D HN 0.146 nan 8.370 nan 0.000 0.509 50 V N 3.829 123.736 119.914 -0.011 0.000 2.955 50 V HA 0.131 4.253 4.120 0.004 0.000 0.379 50 V C 0.775 176.873 176.094 0.006 0.000 1.288 50 V CA -0.447 61.856 62.300 0.006 0.000 1.358 50 V CB -0.729 31.073 31.823 -0.036 0.000 1.406 50 V HN 0.232 nan 8.190 nan 0.000 0.569 51 R N 1.064 121.578 120.500 0.023 0.000 2.389 51 R HA 0.488 4.830 4.340 0.004 0.000 0.295 51 R C 1.391 177.691 176.300 -0.001 0.000 1.075 51 R CA 0.518 56.631 56.100 0.022 0.000 1.005 51 R CB 0.448 30.782 30.300 0.057 0.000 0.987 51 R HN 0.530 nan 8.270 nan 0.000 0.452 52 G N 1.844 110.610 108.800 -0.057 0.000 2.225 52 G HA2 -0.352 3.611 3.960 0.004 0.000 0.267 52 G HA3 -0.352 3.611 3.960 0.004 0.000 0.267 52 G C -0.158 174.714 174.900 -0.047 0.000 1.024 52 G CA 0.482 45.541 45.100 -0.067 0.000 0.784 52 G HN 0.506 nan 8.290 nan 0.000 0.507 53 K N -0.625 119.748 120.400 -0.046 0.000 2.395 53 K HA 0.629 4.952 4.320 0.004 0.000 0.247 53 K C -0.205 176.370 176.600 -0.041 0.000 0.973 53 K CA -0.608 55.665 56.287 -0.024 0.000 0.828 53 K CB 1.480 33.990 32.500 0.017 0.000 1.272 53 K HN 0.031 nan 8.250 nan 0.000 0.439 54 T N 1.448 115.982 114.554 -0.033 0.000 2.743 54 T HA 0.260 4.613 4.350 0.004 0.000 0.293 54 T C -0.514 174.163 174.700 -0.038 0.000 0.945 54 T CA -0.615 61.460 62.100 -0.042 0.000 1.030 54 T CB 0.601 69.446 68.868 -0.039 0.000 0.912 54 T HN 0.129 nan 8.240 nan 0.000 0.483 55 V N 6.260 126.147 119.914 -0.046 0.000 2.383 55 V HA 0.650 4.772 4.120 0.004 0.000 0.275 55 V C 0.110 176.168 176.094 -0.060 0.000 1.036 55 V CA -0.665 61.605 62.300 -0.051 0.000 0.889 55 V CB 0.652 32.448 31.823 -0.044 0.000 0.985 55 V HN 0.971 nan 8.190 nan 0.000 0.459 56 M N 5.260 124.811 119.600 -0.081 0.000 2.622 56 M HA 0.779 5.261 4.480 0.004 0.000 0.276 56 M C -3.158 173.066 176.300 -0.126 0.000 1.265 56 M CA -2.093 53.159 55.300 -0.079 0.000 0.850 56 M CB 2.672 35.243 32.600 -0.048 0.000 1.720 56 M HN 0.211 nan 8.290 nan 0.000 0.465 57 P HA 0.222 nan 4.420 nan 0.000 0.271 57 P C -0.067 177.086 177.300 -0.246 0.000 1.216 57 P CA 0.160 63.191 63.100 -0.115 0.000 0.776 57 P CB 0.412 32.087 31.700 -0.043 0.000 0.881 58 G N 2.794 111.429 108.800 -0.275 0.000 2.305 58 G HA2 0.175 4.138 3.960 0.004 0.000 0.243 58 G HA3 0.175 4.138 3.960 0.004 0.000 0.243 58 G C -0.451 174.272 174.900 -0.295 0.000 1.288 58 G CA -0.270 44.570 45.100 -0.433 0.000 0.901 58 G HN 0.229 nan 8.290 nan 0.000 0.516 59 F N 0.709 120.552 119.950 -0.178 0.000 2.506 59 F HA 0.361 4.891 4.527 0.004 0.000 0.351 59 F C 0.889 176.731 175.800 0.069 0.000 1.136 59 F CA -0.637 57.252 58.000 -0.185 0.000 1.298 59 F CB 0.519 39.144 39.000 -0.626 0.000 1.145 59 F HN 0.181 nan 8.300 nan 0.000 0.593 60 I N 2.135 122.910 120.570 0.342 0.000 2.410 60 I HA 0.188 4.360 4.170 0.004 0.000 0.286 60 I C -0.542 175.813 176.117 0.395 0.000 1.009 60 I CA -0.627 60.877 61.300 0.339 0.000 1.111 60 I CB 1.302 39.416 38.000 0.189 0.000 1.262 60 I HN 0.456 nan 8.210 nan 0.000 0.443 61 D N 4.742 125.400 120.400 0.430 0.000 2.210 61 D HA 0.238 4.880 4.640 0.004 0.000 0.249 61 D C 0.194 176.616 176.300 0.203 0.000 1.078 61 D CA -0.302 53.911 54.000 0.354 0.000 0.875 61 D CB 1.914 42.755 40.800 0.068 0.000 1.175 61 D HN 0.584 nan 8.370 nan 0.000 0.440 62 C N 1.916 121.319 119.300 0.172 0.000 2.926 62 C HA 0.169 4.631 4.460 0.004 0.000 0.272 62 C C 0.762 175.793 174.990 0.068 0.000 1.249 62 C CA -0.222 58.847 59.018 0.084 0.000 1.691 62 C CB -1.214 26.557 27.740 0.052 0.000 1.983 62 C HN 0.605 nan 8.230 nan 0.000 0.615 63 H N 0.361 119.403 119.070 -0.047 0.000 2.852 63 H HA 0.496 5.054 4.556 0.004 0.000 0.274 63 H C -0.637 174.632 175.328 -0.098 0.000 1.321 63 H CA -0.125 55.864 56.048 -0.098 0.000 1.582 63 H CB 0.531 30.216 29.762 -0.128 0.000 1.699 63 H HN 0.122 nan 8.280 nan 0.000 0.546 64 V N 0.669 120.488 119.914 -0.158 0.000 3.113 64 V HA 0.586 4.709 4.120 0.004 0.000 0.316 64 V C -0.624 175.287 176.094 -0.305 0.000 1.125 64 V CA -0.759 61.498 62.300 -0.071 0.000 1.026 64 V CB 2.472 34.283 31.823 -0.019 0.000 1.080 64 V HN 0.698 nan 8.190 nan 0.000 0.444 65 H N 1.266 120.409 119.070 0.122 0.000 2.791 65 H HA 0.407 4.966 4.556 0.005 0.000 0.272 65 H C 0.584 175.976 175.328 0.106 0.000 1.188 65 H CA -0.247 55.856 56.048 0.092 0.000 1.436 65 H CB 1.910 31.731 29.762 0.098 0.000 1.467 65 H HN 0.534 nan 8.280 nan 0.000 0.500 66 V N 2.807 122.765 119.914 0.074 0.000 2.392 66 V HA -0.246 3.876 4.120 0.004 0.000 0.249 66 V C 2.183 178.284 176.094 0.012 0.000 1.059 66 V CA 1.672 63.961 62.300 -0.018 0.000 1.051 66 V CB -0.171 31.626 31.823 -0.043 0.000 0.658 66 V HN 0.584 nan 8.190 nan 0.000 0.455 67 L N -0.063 121.199 121.223 0.065 0.000 2.558 67 L HA 0.253 4.596 4.340 0.004 0.000 0.225 67 L C 1.391 178.302 176.870 0.068 0.000 1.128 67 L CA 0.169 55.040 54.840 0.052 0.000 0.868 67 L CB -0.257 41.829 42.059 0.045 0.000 1.006 67 L HN 0.246 nan 8.230 nan 0.000 0.454 68 A N 0.005 122.904 122.820 0.131 0.000 2.797 68 A HA 0.237 4.559 4.320 0.004 0.000 0.296 68 A C 1.336 178.994 177.584 0.124 0.000 1.580 68 A CA 0.090 52.185 52.037 0.097 0.000 1.277 68 A CB -0.191 18.860 19.000 0.086 0.000 1.101 68 A HN 0.362 nan 8.150 nan 0.000 0.562 69 S N 1.287 117.018 115.700 0.051 0.000 2.528 69 S HA 0.045 4.518 4.470 0.004 0.000 0.219 69 S C 0.462 175.057 174.600 -0.007 0.000 0.985 69 S CA 0.212 58.434 58.200 0.037 0.000 0.914 69 S CB -0.505 62.700 63.200 0.008 0.000 0.776 69 S HN 0.939 nan 8.310 nan 0.000 0.526 70 N N -1.170 117.514 118.700 -0.026 0.000 2.416 70 N HA 0.677 5.420 4.740 0.004 0.000 0.276 70 N C 0.444 175.926 175.510 -0.046 0.000 1.261 70 N CA -0.425 52.601 53.050 -0.040 0.000 0.790 70 N CB 1.080 39.550 38.487 -0.029 0.000 1.554 70 N HN -0.084 nan 8.380 nan 0.000 0.481 71 A N 0.741 123.550 122.820 -0.017 0.000 1.972 71 A HA -0.107 4.216 4.320 0.004 0.000 0.219 71 A C 0.928 178.489 177.584 -0.038 0.000 1.169 71 A CA 1.088 53.122 52.037 -0.005 0.000 0.635 71 A CB -0.840 18.208 19.000 0.080 0.000 0.810 71 A HN 0.745 nan 8.150 nan 0.000 0.446 72 N N 0.806 119.478 118.700 -0.046 0.000 2.415 72 N HA 0.255 4.997 4.740 0.004 0.000 0.250 72 N C 0.555 175.944 175.510 -0.202 0.000 1.127 72 N CA -0.009 52.986 53.050 -0.092 0.000 0.945 72 N CB 0.124 38.579 38.487 -0.054 0.000 1.196 72 N HN 0.332 nan 8.380 nan 0.000 0.499 73 L N 1.930 122.950 121.223 -0.338 0.000 2.275 73 L HA 0.015 4.358 4.340 0.004 0.000 0.215 73 L C 2.124 178.478 176.870 -0.861 0.000 1.119 73 L CA 0.906 55.388 54.840 -0.597 0.000 0.790 73 L CB -0.262 41.351 42.059 -0.742 0.000 0.919 73 L HN 0.600 nan 8.230 nan 0.000 0.443 74 G N -0.690 107.660 108.800 -0.750 0.000 2.404 74 G HA2 -0.207 3.756 3.960 0.004 0.000 0.215 74 G HA3 -0.207 3.756 3.960 0.004 0.000 0.215 74 G C 1.581 176.351 174.900 -0.217 0.000 1.174 74 G CA 0.744 45.575 45.100 -0.448 0.000 0.780 74 G HN 0.184 nan 8.290 nan 0.000 0.537 75 V N 0.799 120.615 119.914 -0.164 0.000 2.871 75 V HA -0.048 4.075 4.120 0.004 0.000 0.256 75 V C 2.395 178.432 176.094 -0.095 0.000 1.082 75 V CA 1.898 64.143 62.300 -0.092 0.000 1.105 75 V CB -0.310 31.479 31.823 -0.056 0.000 0.713 75 V HN 0.467 nan 8.190 nan 0.000 0.473 76 N N 0.228 118.843 118.700 -0.142 0.000 2.223 76 N HA -0.106 4.637 4.740 0.004 0.000 0.185 76 N C 1.723 177.176 175.510 -0.094 0.000 1.016 76 N CA 1.431 54.411 53.050 -0.116 0.000 0.863 76 N CB -0.214 38.183 38.487 -0.149 0.000 0.983 76 N HN 0.499 nan 8.380 nan 0.000 0.429 77 A N -0.694 122.052 122.820 -0.123 0.000 1.968 77 A HA -0.072 4.251 4.320 0.004 0.000 0.217 77 A C 2.151 179.724 177.584 -0.019 0.000 1.169 77 A CA 1.735 53.737 52.037 -0.059 0.000 0.638 77 A CB -0.935 18.035 19.000 -0.051 0.000 0.812 77 A HN 0.527 nan 8.150 nan 0.000 0.446 78 T N -1.014 113.523 114.554 -0.028 0.000 3.081 78 T HA 0.054 4.407 4.350 0.004 0.000 0.255 78 T C 0.961 175.659 174.700 -0.004 0.000 1.113 78 T CA 0.335 62.432 62.100 -0.006 0.000 1.082 78 T CB -0.551 68.313 68.868 -0.007 0.000 0.939 78 T HN 0.707 nan 8.240 nan 0.000 0.506 79 Q N 1.946 121.739 119.800 -0.012 0.000 2.392 79 Q HA 0.299 4.642 4.340 0.004 0.000 0.262 79 Q C -2.708 173.294 176.000 0.002 0.000 1.003 79 Q CA -1.903 53.896 55.803 -0.007 0.000 0.888 79 Q CB -0.190 28.540 28.738 -0.014 0.000 1.260 79 Q HN 0.129 nan 8.270 nan 0.000 0.435 80 P HA 0.030 nan 4.420 nan 0.000 0.271 80 P C -0.076 177.230 177.300 0.011 0.000 1.218 80 P CA -0.349 62.755 63.100 0.007 0.000 0.780 80 P CB 0.564 32.265 31.700 0.003 0.000 0.901 81 N N 1.257 119.968 118.700 0.018 0.000 2.061 81 N HA -0.162 4.581 4.740 0.004 0.000 0.193 81 N C 1.663 177.183 175.510 0.017 0.000 1.030 81 N CA 1.379 54.444 53.050 0.025 0.000 0.856 81 N CB -0.599 37.909 38.487 0.034 0.000 1.023 81 N HN 0.428 nan 8.380 nan 0.000 0.424 82 I N 0.672 121.248 120.570 0.010 0.000 2.142 82 I HA -0.243 3.930 4.170 0.004 0.000 0.240 82 I C 2.211 178.329 176.117 0.001 0.000 1.078 82 I CA 0.816 62.119 61.300 0.005 0.000 1.343 82 I CB -0.183 37.819 38.000 0.002 0.000 1.046 82 I HN 0.099 nan 8.210 nan 0.000 0.405 83 L N 0.336 121.559 121.223 -0.000 0.000 2.083 83 L HA -0.220 4.122 4.340 0.004 0.000 0.209 83 L C 2.754 179.622 176.870 -0.004 0.000 1.083 83 L CA 1.281 56.119 54.840 -0.004 0.000 0.752 83 L CB -0.482 41.575 42.059 -0.004 0.000 0.899 83 L HN 0.257 nan 8.230 nan 0.000 0.433 84 A N -0.385 122.435 122.820 -0.000 0.000 1.940 84 A HA -0.198 4.125 4.320 0.004 0.000 0.219 84 A C 2.430 180.013 177.584 -0.001 0.000 1.176 84 A CA 1.794 53.831 52.037 0.001 0.000 0.631 84 A CB -0.584 18.420 19.000 0.008 0.000 0.814 84 A HN 0.459 nan 8.150 nan 0.000 0.446 85 A N -0.030 122.790 122.820 -0.001 0.000 1.874 85 A HA 0.059 4.381 4.320 0.004 0.000 0.214 85 A C 1.983 179.558 177.584 -0.014 0.000 1.189 85 A CA 1.262 53.295 52.037 -0.006 0.000 0.615 85 A CB -0.450 18.548 19.000 -0.003 0.000 0.830 85 A HN 0.370 nan 8.150 nan 0.000 0.443 86 I N 0.169 120.731 120.570 -0.013 0.000 2.145 86 I HA -0.271 3.901 4.170 0.004 0.000 0.244 86 I C 2.440 178.544 176.117 -0.021 0.000 1.075 86 I CA 1.697 62.987 61.300 -0.017 0.000 1.332 86 I CB -1.260 36.731 38.000 -0.014 0.000 1.033 86 I HN 0.366 nan 8.210 nan 0.000 0.410 87 R N 0.614 121.103 120.500 -0.019 0.000 2.235 87 R HA -0.069 4.273 4.340 0.004 0.000 0.213 87 R C 2.291 178.573 176.300 -0.030 0.000 1.059 87 R CA 1.319 57.405 56.100 -0.022 0.000 0.997 87 R CB -0.177 30.113 30.300 -0.016 0.000 0.884 87 R HN 0.508 nan 8.270 nan 0.000 0.462 88 S N 0.149 115.830 115.700 -0.032 0.000 2.496 88 S HA 0.047 4.519 4.470 0.004 0.000 0.224 88 S C 1.919 176.481 174.600 -0.062 0.000 0.996 88 S CA 0.137 58.309 58.200 -0.047 0.000 0.927 88 S CB -0.090 63.090 63.200 -0.035 0.000 0.774 88 S HN 0.176 nan 8.310 nan 0.000 0.524 89 L N 1.179 122.372 121.223 -0.049 0.000 2.005 89 L HA 0.056 4.398 4.340 0.004 0.000 0.207 89 L C -0.575 176.264 176.870 -0.053 0.000 1.072 89 L CA 1.111 55.921 54.840 -0.049 0.000 0.744 89 L CB -2.012 40.024 42.059 -0.039 0.000 0.895 89 L HN 0.237 nan 8.230 nan 0.000 0.433 90 P HA -0.158 nan 4.420 nan 0.000 0.216 90 P C 1.857 179.114 177.300 -0.072 0.000 1.150 90 P CA 1.444 64.513 63.100 -0.052 0.000 0.837 90 P CB 0.038 31.710 31.700 -0.048 0.000 0.786 91 I N -1.465 119.041 120.570 -0.106 0.000 2.163 91 I HA -0.254 3.919 4.170 0.004 0.000 0.243 91 I C 2.282 178.302 176.117 -0.161 0.000 1.085 91 I CA 1.471 62.656 61.300 -0.192 0.000 1.347 91 I CB -0.647 37.170 38.000 -0.304 0.000 1.044 91 I HN -0.098 nan 8.210 nan 0.000 0.408 92 L N 0.072 121.226 121.223 -0.114 0.000 2.027 92 L HA -0.242 4.101 4.340 0.004 0.000 0.206 92 L C 2.305 179.152 176.870 -0.037 0.000 1.074 92 L CA 1.463 56.259 54.840 -0.074 0.000 0.745 92 L CB -0.637 41.384 42.059 -0.063 0.000 0.898 92 L HN 0.253 nan 8.230 nan 0.000 0.433 93 D N 0.127 120.505 120.400 -0.037 0.000 2.116 93 D HA -0.222 4.420 4.640 0.004 0.000 0.193 93 D C 2.112 178.411 176.300 -0.001 0.000 0.998 93 D CA 1.585 55.573 54.000 -0.019 0.000 0.836 93 D CB 0.109 40.894 40.800 -0.025 0.000 0.951 93 D HN 0.276 nan 8.370 nan 0.000 0.449 94 A N -0.380 122.433 122.820 -0.011 0.000 1.969 94 A HA -0.073 4.249 4.320 0.004 0.000 0.218 94 A C 2.348 179.972 177.584 0.067 0.000 1.169 94 A CA 1.208 53.252 52.037 0.013 0.000 0.635 94 A CB -0.510 18.482 19.000 -0.012 0.000 0.810 94 A HN 0.299 nan 8.150 nan 0.000 0.445 95 M N -1.312 118.322 119.600 0.056 0.000 2.175 95 M HA -0.068 4.414 4.480 0.004 0.000 0.264 95 M C 2.085 178.546 176.300 0.269 0.000 1.063 95 M CA 1.095 56.479 55.300 0.140 0.000 1.119 95 M CB -0.229 32.386 32.600 0.025 0.000 1.377 95 M HN 0.453 nan 8.290 nan 0.000 0.415 96 L N 0.139 121.452 121.223 0.150 0.000 2.093 96 L HA -0.095 4.248 4.340 0.004 0.000 0.208 96 L C 2.467 179.399 176.870 0.103 0.000 1.085 96 L CA 1.971 56.886 54.840 0.125 0.000 0.755 96 L CB -0.614 41.479 42.059 0.055 0.000 0.904 96 L HN 0.317 nan 8.230 nan 0.000 0.435 97 S N -1.714 114.040 115.700 0.090 0.000 2.561 97 S HA -0.029 4.444 4.470 0.004 0.000 0.225 97 S C 1.847 176.507 174.600 0.101 0.000 0.977 97 S CA 0.147 58.384 58.200 0.062 0.000 0.926 97 S CB -0.479 62.742 63.200 0.035 0.000 0.769 97 S HN 0.487 nan 8.310 nan 0.000 0.533 98 R N 0.412 121.033 120.500 0.202 0.000 2.317 98 R HA 0.263 4.605 4.340 0.004 0.000 0.208 98 R C 1.392 177.834 176.300 0.236 0.000 0.914 98 R CA 0.474 56.742 56.100 0.280 0.000 1.060 98 R CB 0.062 30.651 30.300 0.482 0.000 1.015 98 R HN 0.599 nan 8.270 nan 0.000 0.498 99 G N 0.374 109.237 108.800 0.106 0.000 2.176 99 G HA2 -0.253 3.710 3.960 0.004 0.000 0.232 99 G HA3 -0.253 3.710 3.960 0.004 0.000 0.232 99 G C -0.078 174.660 174.900 -0.270 0.000 0.986 99 G CA -0.570 44.422 45.100 -0.179 0.000 0.643 99 G HN 0.191 nan 8.290 nan 0.000 0.522 100 F N 2.340 122.392 119.950 0.170 0.000 2.438 100 F HA 0.443 4.972 4.527 0.004 0.000 0.360 100 F C 1.899 177.734 175.800 0.058 0.000 1.118 100 F CA 0.668 58.768 58.000 0.166 0.000 1.164 100 F CB 1.389 40.512 39.000 0.205 0.000 1.131 100 F HN 0.105 nan 8.300 nan 0.000 0.527 101 T N -2.214 112.422 114.554 0.137 0.000 3.057 101 T HA 0.173 4.525 4.350 0.004 0.000 0.254 101 T C 0.521 175.291 174.700 0.117 0.000 1.094 101 T CA 0.030 62.175 62.100 0.075 0.000 1.088 101 T CB 0.067 68.931 68.868 -0.007 0.000 0.934 101 T HN 0.311 nan 8.240 nan 0.000 0.497 102 S N 0.986 116.807 115.700 0.201 0.000 2.575 102 S HA 0.654 5.126 4.470 0.004 0.000 0.278 102 S C -0.777 173.989 174.600 0.277 0.000 1.139 102 S CA -0.859 57.483 58.200 0.235 0.000 0.954 102 S CB 2.162 65.559 63.200 0.328 0.000 1.054 102 S HN 0.579 nan 8.310 nan 0.000 0.483 103 V N 1.184 121.234 119.914 0.226 0.000 2.715 103 V HA 0.733 4.855 4.120 0.004 0.000 0.310 103 V C -0.387 175.854 176.094 0.245 0.000 1.054 103 V CA -1.158 61.252 62.300 0.184 0.000 0.928 103 V CB 1.708 33.571 31.823 0.067 0.000 1.007 103 V HN 0.870 nan 8.190 nan 0.000 0.437 104 R N 1.971 122.571 120.500 0.167 0.000 2.255 104 R HA 0.453 4.796 4.340 0.004 0.000 0.326 104 R C -0.962 175.326 176.300 -0.020 0.000 0.986 104 R CA -0.336 55.843 56.100 0.132 0.000 0.847 104 R CB 1.050 31.377 30.300 0.045 0.000 1.111 104 R HN 1.024 nan 8.270 nan 0.000 0.452 105 D N 2.678 123.058 120.400 -0.033 0.000 2.249 105 D HA 0.243 4.885 4.640 0.004 0.000 0.246 105 D C 0.110 176.263 176.300 -0.244 0.000 1.114 105 D CA -0.099 53.806 54.000 -0.159 0.000 0.854 105 D CB 1.536 42.285 40.800 -0.086 0.000 1.132 105 D HN 0.619 nan 8.370 nan 0.000 0.461 106 A N 3.354 125.863 122.820 -0.518 0.000 2.462 106 A HA 0.586 4.909 4.320 0.004 0.000 0.261 106 A C 0.676 178.156 177.584 -0.173 0.000 1.323 106 A CA 0.298 52.028 52.037 -0.511 0.000 0.913 106 A CB -0.519 17.821 19.000 -1.099 0.000 1.028 106 A HN 0.730 nan 8.150 nan 0.000 0.511 107 G N -2.707 106.054 108.800 -0.066 0.000 2.873 107 G HA2 0.512 4.474 3.960 0.004 0.000 0.507 107 G HA3 0.512 4.474 3.960 0.004 0.000 0.507 107 G C 0.443 175.456 174.900 0.189 0.000 1.440 107 G CA 0.270 45.445 45.100 0.124 0.000 1.016 107 G HN 1.875 nan 8.290 nan 0.000 0.615 108 G N 0.651 109.516 108.800 0.108 0.000 2.882 108 G HA2 0.386 4.349 3.960 0.004 0.000 0.198 108 G HA3 0.386 4.349 3.960 0.004 0.000 0.198 108 G C 1.125 176.060 174.900 0.058 0.000 1.977 108 G CA 1.255 46.411 45.100 0.093 0.000 1.541 108 G HN 2.551 nan 8.290 nan 0.000 0.567 109 A N 2.103 124.948 122.820 0.041 0.000 2.520 109 A HA 0.513 4.836 4.320 0.004 0.000 0.245 109 A C 0.597 178.202 177.584 0.035 0.000 1.072 109 A CA 1.240 53.290 52.037 0.023 0.000 0.761 109 A CB -0.087 18.912 19.000 -0.002 0.000 1.004 109 A HN 0.987 nan 8.150 nan 0.000 0.499 110 D N 1.090 121.517 120.400 0.046 0.000 2.595 110 D HA 0.110 4.752 4.640 0.004 0.000 0.268 110 D C 0.705 177.079 176.300 0.123 0.000 1.181 110 D CA -0.712 53.344 54.000 0.092 0.000 1.085 110 D CB -0.127 40.738 40.800 0.108 0.000 1.186 110 D HN 0.561 nan 8.370 nan 0.000 0.621 111 W N 0.278 121.565 121.300 -0.022 0.000 2.518 111 W HA -0.009 4.653 4.660 0.003 0.000 0.273 111 W C 1.830 178.332 176.519 -0.028 0.000 1.247 111 W CA 1.408 58.736 57.345 -0.028 0.000 1.288 111 W CB -0.051 29.396 29.460 -0.022 0.000 1.107 111 W HN 0.263 nan 8.180 nan 0.000 0.586 112 S N 0.870 116.586 115.700 0.025 0.000 2.383 112 S HA -0.179 4.294 4.470 0.004 0.000 0.227 112 S C 1.862 176.338 174.600 -0.206 0.000 1.026 112 S CA 1.319 59.428 58.200 -0.152 0.000 0.981 112 S CB -0.715 62.498 63.200 0.020 0.000 0.818 112 S HN 0.296 nan 8.310 nan 0.000 0.472 113 L N 0.838 121.989 121.223 -0.120 0.000 2.141 113 L HA -0.014 4.329 4.340 0.004 0.000 0.209 113 L C 2.535 179.300 176.870 -0.174 0.000 1.094 113 L CA 0.994 55.763 54.840 -0.119 0.000 0.763 113 L CB -0.285 41.735 42.059 -0.065 0.000 0.908 113 L HN 0.396 nan 8.230 nan 0.000 0.437 114 M N -1.137 118.327 119.600 -0.226 0.000 2.132 114 M HA -0.224 4.258 4.480 0.004 0.000 0.263 114 M C 2.271 178.351 176.300 -0.366 0.000 1.065 114 M CA 1.599 56.732 55.300 -0.279 0.000 1.122 114 M CB -0.008 32.429 32.600 -0.271 0.000 1.365 114 M HN 0.220 nan 8.290 nan 0.000 0.411 115 Q N 0.014 119.486 119.800 -0.546 0.000 2.119 115 Q HA -0.092 4.250 4.340 0.004 0.000 0.201 115 Q C 2.141 177.957 176.000 -0.307 0.000 0.972 115 Q CA 1.683 57.172 55.803 -0.524 0.000 0.847 115 Q CB -0.546 27.727 28.738 -0.775 0.000 0.903 115 Q HN 0.686 nan 8.270 nan 0.000 0.433 116 A N 1.013 123.682 122.820 -0.252 0.000 1.908 116 A HA -0.155 4.168 4.320 0.004 0.000 0.218 116 A C 2.298 179.801 177.584 -0.134 0.000 1.181 116 A CA 2.035 53.975 52.037 -0.163 0.000 0.627 116 A CB -0.777 18.145 19.000 -0.129 0.000 0.818 116 A HN 0.311 nan 8.150 nan 0.000 0.445 117 V N -2.921 116.908 119.914 -0.142 0.000 2.719 117 V HA -0.062 4.061 4.120 0.004 0.000 0.252 117 V C 1.738 177.762 176.094 -0.117 0.000 1.065 117 V CA 2.003 64.234 62.300 -0.115 0.000 1.086 117 V CB -0.648 31.111 31.823 -0.107 0.000 0.700 117 V HN 0.555 nan 8.190 nan 0.000 0.467 118 E N 1.311 121.422 120.200 -0.149 0.000 2.230 118 E HA -0.070 4.283 4.350 0.004 0.000 0.192 118 E C 2.325 178.860 176.600 -0.108 0.000 0.987 118 E CA 1.430 57.750 56.400 -0.133 0.000 0.841 118 E CB -0.046 29.558 29.700 -0.161 0.000 0.783 118 E HN 0.879 nan 8.360 nan 0.000 0.481 119 T N -2.842 111.642 114.554 -0.117 0.000 3.067 119 T HA 0.141 4.493 4.350 0.004 0.000 0.261 119 T C 1.542 176.200 174.700 -0.070 0.000 1.110 119 T CA 0.606 62.653 62.100 -0.089 0.000 1.113 119 T CB 0.405 69.217 68.868 -0.095 0.000 0.917 119 T HN 0.225 nan 8.240 nan 0.000 0.499 120 G N 0.844 109.599 108.800 -0.075 0.000 2.132 120 G HA2 -0.199 3.763 3.960 0.004 0.000 0.228 120 G HA3 -0.199 3.763 3.960 0.004 0.000 0.228 120 G C 0.409 175.276 174.900 -0.054 0.000 1.000 120 G CA 0.259 45.323 45.100 -0.059 0.000 0.693 120 G HN 0.503 nan 8.290 nan 0.000 0.515 121 L N -0.607 120.578 121.223 -0.064 0.000 2.313 121 L HA 0.459 4.801 4.340 0.004 0.000 0.214 121 L C 1.028 177.866 176.870 -0.053 0.000 1.119 121 L CA 1.196 56.002 54.840 -0.056 0.000 0.809 121 L CB 0.458 42.478 42.059 -0.065 0.000 0.933 121 L HN 0.213 nan 8.230 nan 0.000 0.449 122 V N -1.520 118.359 119.914 -0.059 0.000 2.760 122 V HA 0.295 4.418 4.120 0.004 0.000 0.309 122 V C -0.272 175.791 176.094 -0.051 0.000 1.077 122 V CA -0.772 61.496 62.300 -0.053 0.000 0.910 122 V CB 2.017 33.805 31.823 -0.059 0.000 1.008 122 V HN -0.066 nan 8.190 nan 0.000 0.424 123 S N 2.400 118.076 115.700 -0.040 0.000 2.523 123 S HA 0.801 5.273 4.470 0.004 0.000 0.275 123 S C 0.219 174.799 174.600 -0.033 0.000 1.281 123 S CA 0.575 58.755 58.200 -0.034 0.000 1.050 123 S CB 0.635 63.820 63.200 -0.025 0.000 0.937 123 S HN 1.401 nan 8.310 nan 0.000 0.492 124 G N 4.287 113.069 108.800 -0.029 0.000 2.328 124 G HA2 0.379 4.341 3.960 0.004 0.000 0.295 124 G HA3 0.379 4.341 3.960 0.004 0.000 0.295 124 G C -3.511 171.381 174.900 -0.013 0.000 1.413 124 G CA -0.857 44.230 45.100 -0.022 0.000 0.817 124 G HN 0.484 nan 8.290 nan 0.000 0.546 125 P HA 0.297 nan 4.420 nan 0.000 0.275 125 P C -0.418 176.868 177.300 -0.022 0.000 1.266 125 P CA -0.508 62.609 63.100 0.027 0.000 0.793 125 P CB 0.730 32.483 31.700 0.089 0.000 1.074 126 R N 1.198 121.680 120.500 -0.029 0.000 2.296 126 R HA 0.277 4.620 4.340 0.004 0.000 0.323 126 R C -0.241 175.955 176.300 -0.173 0.000 1.067 126 R CA -0.201 55.817 56.100 -0.136 0.000 0.946 126 R CB -0.817 29.385 30.300 -0.163 0.000 0.991 126 R HN 0.367 nan 8.270 nan 0.000 0.448 127 I N 5.627 126.068 120.570 -0.215 0.000 2.371 127 I HA 0.128 4.300 4.170 0.004 0.000 0.290 127 I C -0.446 175.498 176.117 -0.290 0.000 1.028 127 I CA -0.290 60.919 61.300 -0.152 0.000 1.345 127 I CB 0.746 38.682 38.000 -0.105 0.000 1.407 127 I HN 0.564 nan 8.210 nan 0.000 0.501 128 F N 8.049 127.996 119.950 -0.005 0.000 2.303 128 F HA 0.342 4.871 4.527 0.004 0.000 0.368 128 F C -2.049 173.741 175.800 -0.017 0.000 1.105 128 F CA -2.316 55.686 58.000 0.004 0.000 1.153 128 F CB 0.575 39.585 39.000 0.017 0.000 1.362 128 F HN 0.234 nan 8.300 nan 0.000 0.511 129 P HA 0.191 nan 4.420 nan 0.000 0.285 129 P C -0.060 177.267 177.300 0.045 0.000 1.259 129 P CA -0.349 62.787 63.100 0.059 0.000 0.794 129 P CB 1.821 33.559 31.700 0.062 0.000 0.940 130 S N 1.158 116.862 115.700 0.006 0.000 2.535 130 S HA 0.290 4.763 4.470 0.004 0.000 0.214 130 S C 1.290 175.891 174.600 0.001 0.000 0.980 130 S CA 0.455 58.645 58.200 -0.018 0.000 0.907 130 S CB -0.484 62.689 63.200 -0.045 0.000 0.790 130 S HN 0.876 nan 8.310 nan 0.000 0.510 131 G N 2.427 111.241 108.800 0.022 0.000 2.559 131 G HA2 -0.240 3.722 3.960 0.004 0.000 0.282 131 G HA3 -0.240 3.722 3.960 0.004 0.000 0.282 131 G C -0.549 174.370 174.900 0.032 0.000 1.177 131 G CA -0.111 45.007 45.100 0.029 0.000 0.960 131 G HN 0.328 nan 8.290 nan 0.000 0.540 132 K N 1.431 121.846 120.400 0.026 0.000 2.123 132 K HA 0.732 5.055 4.320 0.004 0.000 0.259 132 K C 0.483 177.111 176.600 0.046 0.000 0.960 132 K CA 0.118 56.429 56.287 0.040 0.000 0.872 132 K CB 1.642 34.157 32.500 0.025 0.000 1.079 132 K HN 1.097 nan 8.250 nan 0.000 0.440 133 A N 3.123 125.987 122.820 0.074 0.000 2.388 133 A HA 0.390 4.712 4.320 0.004 0.000 0.257 133 A C -0.008 177.623 177.584 0.080 0.000 1.095 133 A CA -0.454 51.634 52.037 0.085 0.000 0.791 133 A CB 0.050 19.122 19.000 0.121 0.000 1.029 133 A HN 0.623 nan 8.150 nan 0.000 0.489 134 L N 2.019 123.305 121.223 0.106 0.000 2.292 134 L HA 0.570 4.913 4.340 0.004 0.000 0.284 134 L C 0.539 177.540 176.870 0.218 0.000 1.065 134 L CA -0.171 54.761 54.840 0.153 0.000 0.806 134 L CB 1.464 43.615 42.059 0.153 0.000 1.175 134 L HN 0.721 nan 8.230 nan 0.000 0.431 135 S N 1.915 117.699 115.700 0.140 0.000 2.546 135 S HA 0.425 4.898 4.470 0.004 0.000 0.274 135 S C -0.832 173.650 174.600 -0.197 0.000 1.121 135 S CA -0.848 57.304 58.200 -0.081 0.000 0.887 135 S CB 1.882 64.999 63.200 -0.139 0.000 1.094 135 S HN 0.645 nan 8.310 nan 0.000 0.474 136 Q N 1.695 121.117 119.800 -0.629 0.000 2.382 136 Q HA 0.456 4.798 4.340 0.004 0.000 0.229 136 Q C -0.343 175.529 176.000 -0.214 0.000 1.006 136 Q CA -0.494 55.056 55.803 -0.423 0.000 0.916 136 Q CB -0.150 28.239 28.738 -0.581 0.000 1.235 136 Q HN 0.486 nan 8.270 nan 0.000 0.512 137 T N 1.175 115.658 114.554 -0.118 0.000 2.902 137 T HA 0.317 4.670 4.350 0.004 0.000 0.301 137 T C 1.003 175.643 174.700 -0.099 0.000 1.012 137 T CA 1.010 63.059 62.100 -0.086 0.000 1.151 137 T CB -0.037 68.805 68.868 -0.043 0.000 0.946 137 T HN 0.974 nan 8.240 nan 0.000 0.542 138 G N 2.603 111.343 108.800 -0.100 0.000 2.143 138 G HA2 -0.164 3.799 3.960 0.004 0.000 0.248 138 G HA3 -0.164 3.799 3.960 0.004 0.000 0.248 138 G C 0.521 175.351 174.900 -0.117 0.000 0.991 138 G CA 0.018 45.062 45.100 -0.093 0.000 0.689 138 G HN 1.112 nan 8.290 nan 0.000 0.522 139 G N -1.666 107.035 108.800 -0.164 0.000 2.574 139 G HA2 0.457 4.419 3.960 0.004 0.000 0.248 139 G HA3 0.457 4.419 3.960 0.004 0.000 0.248 139 G C 0.592 175.386 174.900 -0.177 0.000 1.422 139 G CA 0.499 45.496 45.100 -0.172 0.000 1.051 139 G HN 0.435 nan 8.290 nan 0.000 0.560 140 H N -0.977 117.922 119.070 -0.286 0.000 2.529 140 H HA 0.101 4.660 4.556 0.004 0.000 0.277 140 H C 2.310 177.332 175.328 -0.511 0.000 0.999 140 H CA 1.450 57.297 56.048 -0.336 0.000 1.256 140 H CB 0.015 29.572 29.762 -0.340 0.000 1.402 140 H HN 0.406 nan 8.280 nan 0.000 0.566 141 G N -1.080 107.417 108.800 -0.506 0.000 2.986 141 G HA2 -0.059 3.903 3.960 0.004 0.000 0.213 141 G HA3 -0.059 3.903 3.960 0.004 0.000 0.213 141 G C 0.057 174.477 174.900 -0.800 0.000 1.156 141 G CA -0.118 44.612 45.100 -0.617 0.000 0.763 141 G HN 0.284 nan 8.290 nan 0.000 0.547 142 D N 0.069 120.070 120.400 -0.664 0.000 2.295 142 D HA 0.261 4.903 4.640 0.004 0.000 0.248 142 D C -0.320 175.628 176.300 -0.587 0.000 1.154 142 D CA -0.508 53.221 54.000 -0.451 0.000 0.857 142 D CB 0.829 41.486 40.800 -0.238 0.000 1.117 142 D HN 0.062 nan 8.370 nan 0.000 0.468 143 F N 2.071 121.991 119.950 -0.051 0.000 2.661 143 F HA 0.260 4.790 4.527 0.004 0.000 0.306 143 F C 1.190 176.975 175.800 -0.025 0.000 1.094 143 F CA -0.488 57.484 58.000 -0.046 0.000 1.254 143 F CB 0.257 39.224 39.000 -0.055 0.000 1.040 143 F HN -0.006 nan 8.300 nan 0.000 0.562 144 R N 2.656 123.209 120.500 0.088 0.000 2.537 144 R HA 0.160 4.503 4.340 0.004 0.000 0.280 144 R C -2.027 174.298 176.300 0.042 0.000 1.058 144 R CA -1.379 54.756 56.100 0.059 0.000 1.057 144 R CB -0.163 30.155 30.300 0.030 0.000 0.973 144 R HN -0.022 nan 8.270 nan 0.000 0.438 145 P HA 0.012 nan 4.420 nan 0.000 0.282 145 P C -0.211 177.100 177.300 0.018 0.000 1.286 145 P CA -0.273 62.846 63.100 0.032 0.000 0.777 145 P CB 0.595 32.313 31.700 0.031 0.000 1.184 146 R N -0.692 119.817 120.500 0.015 0.000 2.323 146 R HA 0.053 4.395 4.340 0.004 0.000 0.198 146 R C 1.955 178.260 176.300 0.008 0.000 0.988 146 R CA 0.754 56.859 56.100 0.008 0.000 1.041 146 R CB -0.974 29.330 30.300 0.007 0.000 0.926 146 R HN 0.647 nan 8.270 nan 0.000 0.476 147 G N -0.218 108.588 108.800 0.011 0.000 2.770 147 G HA2 -0.142 3.821 3.960 0.004 0.000 0.212 147 G HA3 -0.142 3.821 3.960 0.004 0.000 0.212 147 G C 0.056 174.961 174.900 0.008 0.000 1.357 147 G CA 0.724 45.830 45.100 0.010 0.000 0.837 147 G HN 0.296 nan 8.290 nan 0.000 0.610 148 D N -1.616 118.790 120.400 0.010 0.000 2.583 148 D HA 0.449 5.091 4.640 0.004 0.000 0.248 148 D C -1.102 175.204 176.300 0.010 0.000 1.209 148 D CA -0.446 53.559 54.000 0.008 0.000 0.848 148 D CB 2.022 42.827 40.800 0.008 0.000 1.431 148 D HN 0.017 nan 8.370 nan 0.000 0.436 149 L N 2.055 123.283 121.223 0.008 0.000 2.337 149 L HA 0.456 4.798 4.340 0.004 0.000 0.269 149 L C -0.375 176.501 176.870 0.011 0.000 1.018 149 L CA -0.341 54.504 54.840 0.008 0.000 0.876 149 L CB 1.061 43.122 42.059 0.003 0.000 1.236 149 L HN 0.084 nan 8.230 nan 0.000 0.436 150 L N 1.893 123.126 121.223 0.015 0.000 2.334 150 L HA 0.425 4.768 4.340 0.004 0.000 0.270 150 L C 0.443 177.326 176.870 0.022 0.000 1.018 150 L CA -0.777 54.074 54.840 0.018 0.000 0.811 150 L CB 1.937 44.007 42.059 0.019 0.000 1.271 150 L HN 0.496 nan 8.230 nan 0.000 0.443 151 E N 2.343 122.558 120.200 0.025 0.000 2.415 151 E HA 0.081 4.434 4.350 0.004 0.000 0.263 151 E C -2.056 174.569 176.600 0.040 0.000 0.995 151 E CA -1.211 55.207 56.400 0.030 0.000 0.915 151 E CB 0.327 30.046 29.700 0.031 0.000 0.951 151 E HN 0.256 nan 8.360 nan 0.000 0.449 152 P HA 0.113 nan 4.420 nan 0.000 0.219 152 P C 0.458 177.796 177.300 0.063 0.000 1.847 152 P CA -0.303 62.829 63.100 0.054 0.000 1.110 152 P CB -0.269 31.458 31.700 0.045 0.000 1.839 153 C N 0.465 119.821 119.300 0.092 0.000 2.456 153 C HA -0.068 4.395 4.460 0.004 0.000 0.279 153 C C 2.267 177.381 174.990 0.207 0.000 1.427 153 C CA 0.833 59.928 59.018 0.128 0.000 1.778 153 C CB -1.645 26.201 27.740 0.176 0.000 1.842 153 C HN 0.450 nan 8.230 nan 0.000 0.531 154 S N -0.201 115.635 115.700 0.227 0.000 2.474 154 S HA -0.131 4.342 4.470 0.004 0.000 0.235 154 S C 1.638 176.329 174.600 0.151 0.000 0.997 154 S CA 1.275 59.654 58.200 0.298 0.000 0.949 154 S CB -1.408 61.906 63.200 0.191 0.000 0.766 154 S HN 0.780 nan 8.310 nan 0.000 0.517 155 C N 0.923 120.257 119.300 0.057 0.000 2.403 155 C HA -0.115 4.347 4.460 0.004 0.000 0.279 155 C C 2.948 177.917 174.990 -0.034 0.000 1.269 155 C CA 0.724 59.754 59.018 0.020 0.000 1.774 155 C CB -1.743 26.003 27.740 0.011 0.000 1.993 155 C HN 0.764 nan 8.230 nan 0.000 0.496 156 C N -0.950 118.251 119.300 -0.165 0.000 2.492 156 C HA 0.087 4.550 4.460 0.004 0.000 0.279 156 C C 2.303 177.186 174.990 -0.179 0.000 1.335 156 C CA 0.373 59.247 59.018 -0.240 0.000 1.734 156 C CB -1.349 26.132 27.740 -0.431 0.000 2.027 156 C HN 0.620 nan 8.230 nan 0.000 0.496 157 F N 0.925 120.890 119.950 0.025 0.000 2.186 157 F HA -0.001 4.528 4.527 0.005 0.000 0.299 157 F C 1.415 177.228 175.800 0.022 0.000 1.090 157 F CA 0.535 58.548 58.000 0.022 0.000 1.307 157 F CB -0.171 38.840 39.000 0.018 0.000 1.019 157 F HN -0.024 nan 8.300 nan 0.000 0.489 158 R N 1.450 122.065 120.500 0.191 0.000 2.296 158 R HA 0.051 4.393 4.340 0.004 0.000 0.323 158 R C 1.189 177.536 176.300 0.079 0.000 1.067 158 R CA 0.363 56.533 56.100 0.116 0.000 0.946 158 R CB -0.262 30.092 30.300 0.089 0.000 0.991 158 R HN 0.209 nan 8.270 nan 0.000 0.448 159 T N -1.341 113.254 114.554 0.069 0.000 3.085 159 T HA -0.029 4.323 4.350 0.004 0.000 0.263 159 T C 1.582 176.305 174.700 0.038 0.000 1.127 159 T CA 0.864 62.996 62.100 0.053 0.000 1.103 159 T CB 0.217 69.115 68.868 0.049 0.000 0.921 159 T HN 0.567 nan 8.240 nan 0.000 0.510 160 G N 0.657 109.474 108.800 0.029 0.000 3.042 160 G HA2 0.492 4.454 3.960 0.004 0.000 0.212 160 G HA3 0.492 4.454 3.960 0.004 0.000 0.212 160 G C 0.533 175.432 174.900 -0.001 0.000 1.166 160 G CA -0.007 45.099 45.100 0.009 0.000 0.767 160 G HN 0.785 nan 8.290 nan 0.000 0.546 161 A N 0.885 123.719 122.820 0.023 0.000 2.354 161 A HA 0.506 4.828 4.320 0.004 0.000 0.281 161 A C 1.385 179.007 177.584 0.063 0.000 1.174 161 A CA -0.562 51.497 52.037 0.037 0.000 0.828 161 A CB 0.226 19.266 19.000 0.067 0.000 1.099 161 A HN 0.584 nan 8.150 nan 0.000 0.516 162 I N 0.220 120.833 120.570 0.073 0.000 2.830 162 I HA 0.368 4.541 4.170 0.004 0.000 0.263 162 I C 0.732 176.931 176.117 0.138 0.000 1.230 162 I CA 1.081 62.453 61.300 0.120 0.000 1.480 162 I CB -0.014 38.031 38.000 0.074 0.000 1.095 162 I HN 0.518 nan 8.210 nan 0.000 0.455 163 A N 1.467 124.373 122.820 0.144 0.000 2.593 163 A HA 0.865 5.187 4.320 0.004 0.000 0.290 163 A C -0.760 176.869 177.584 0.074 0.000 1.126 163 A CA -0.980 51.119 52.037 0.104 0.000 0.695 163 A CB 1.264 20.311 19.000 0.077 0.000 1.290 163 A HN 0.426 nan 8.150 nan 0.000 0.414 164 R N -0.238 120.286 120.500 0.039 0.000 2.771 164 R HA 0.764 5.106 4.340 0.004 0.000 0.274 164 R C -1.797 174.510 176.300 0.011 0.000 0.987 164 R CA -0.747 55.365 56.100 0.020 0.000 0.908 164 R CB 1.579 31.881 30.300 0.004 0.000 1.213 164 R HN 0.349 nan 8.270 nan 0.000 0.468 165 V N 2.349 122.264 119.914 0.002 0.000 2.407 165 V HA 0.471 4.594 4.120 0.004 0.000 0.278 165 V C -0.148 175.963 176.094 0.028 0.000 1.037 165 V CA -0.468 61.831 62.300 -0.001 0.000 0.900 165 V CB 1.215 33.024 31.823 -0.023 0.000 0.983 165 V HN 0.641 nan 8.190 nan 0.000 0.459 166 V N 1.566 121.525 119.914 0.074 0.000 2.851 166 V HA 0.730 4.852 4.120 0.004 0.000 0.307 166 V C -1.263 174.929 176.094 0.163 0.000 1.129 166 V CA -0.890 61.465 62.300 0.091 0.000 0.932 166 V CB 2.014 33.883 31.823 0.076 0.000 1.024 166 V HN 0.781 nan 8.190 nan 0.000 0.426 167 D N 1.538 122.007 120.400 0.115 0.000 2.490 167 D HA 0.854 5.497 4.640 0.004 0.000 0.232 167 D C 0.167 176.519 176.300 0.087 0.000 1.053 167 D CA 0.493 54.579 54.000 0.144 0.000 0.914 167 D CB 1.885 42.739 40.800 0.088 0.000 1.431 167 D HN 1.500 nan 8.370 nan 0.000 0.483 168 G N -0.841 108.010 108.800 0.085 0.000 2.712 168 G HA2 -0.153 3.809 3.960 0.004 0.000 0.686 168 G HA3 -0.153 3.809 3.960 0.004 0.000 0.686 168 G C 0.590 175.490 174.900 0.000 0.000 1.181 168 G CA -0.519 44.603 45.100 0.037 0.000 0.762 168 G HN 0.406 nan 8.290 nan 0.000 0.641 169 V N 1.379 121.287 119.914 -0.010 0.000 2.287 169 V HA -0.147 3.975 4.120 0.004 0.000 0.248 169 V C 2.565 178.639 176.094 -0.033 0.000 1.053 169 V CA 2.703 64.984 62.300 -0.032 0.000 1.027 169 V CB -0.362 31.449 31.823 -0.021 0.000 0.646 169 V HN 0.780 nan 8.190 nan 0.000 0.447 170 E N 0.283 120.472 120.200 -0.018 0.000 2.358 170 E HA -0.027 4.325 4.350 0.004 0.000 0.195 170 E C 2.224 178.813 176.600 -0.017 0.000 1.010 170 E CA 1.024 57.414 56.400 -0.017 0.000 0.856 170 E CB -0.287 29.407 29.700 -0.010 0.000 0.795 170 E HN 0.638 nan 8.360 nan 0.000 0.504 171 G N 1.431 110.224 108.800 -0.012 0.000 2.408 171 G HA2 -0.145 3.818 3.960 0.004 0.000 0.215 171 G HA3 -0.145 3.818 3.960 0.004 0.000 0.215 171 G C 1.795 176.684 174.900 -0.019 0.000 1.156 171 G CA 0.935 46.032 45.100 -0.006 0.000 0.793 171 G HN 0.289 nan 8.290 nan 0.000 0.535 172 V N -1.629 118.259 119.914 -0.043 0.000 2.591 172 V HA 0.139 4.261 4.120 0.004 0.000 0.249 172 V C 2.458 178.508 176.094 -0.073 0.000 1.053 172 V CA 1.233 63.484 62.300 -0.082 0.000 1.068 172 V CB -0.489 31.219 31.823 -0.192 0.000 0.689 172 V HN 0.202 nan 8.190 nan 0.000 0.462 173 R N -0.196 120.268 120.500 -0.060 0.000 2.083 173 R HA -0.083 4.260 4.340 0.004 0.000 0.237 173 R C 2.323 178.600 176.300 -0.040 0.000 1.137 173 R CA 1.977 58.048 56.100 -0.048 0.000 0.951 173 R CB -0.653 29.624 30.300 -0.038 0.000 0.851 173 R HN 0.524 nan 8.270 nan 0.000 0.434 174 L N 0.714 121.917 121.223 -0.033 0.000 2.046 174 L HA -0.104 4.239 4.340 0.004 0.000 0.208 174 L C 2.256 179.105 176.870 -0.034 0.000 1.077 174 L CA 1.909 56.731 54.840 -0.030 0.000 0.747 174 L CB -0.593 41.451 42.059 -0.024 0.000 0.896 174 L HN 0.121 nan 8.230 nan 0.000 0.432 175 A N -1.228 121.572 122.820 -0.034 0.000 1.877 175 A HA -0.156 4.167 4.320 0.004 0.000 0.216 175 A C 2.258 179.819 177.584 -0.038 0.000 1.186 175 A CA 2.055 54.071 52.037 -0.034 0.000 0.620 175 A CB -1.099 17.888 19.000 -0.023 0.000 0.822 175 A HN 0.290 nan 8.150 nan 0.000 0.443 176 V N -0.076 119.811 119.914 -0.044 0.000 2.343 176 V HA -0.266 3.857 4.120 0.004 0.000 0.247 176 V C 2.625 178.694 176.094 -0.043 0.000 1.051 176 V CA 2.245 64.518 62.300 -0.046 0.000 1.036 176 V CB -0.838 30.954 31.823 -0.052 0.000 0.654 176 V HN 0.525 nan 8.190 nan 0.000 0.451 177 R N -0.187 120.289 120.500 -0.041 0.000 2.105 177 R HA -0.196 4.147 4.340 0.004 0.000 0.239 177 R C 2.325 178.598 176.300 -0.046 0.000 1.135 177 R CA 1.794 57.870 56.100 -0.040 0.000 0.967 177 R CB -0.287 29.992 30.300 -0.036 0.000 0.861 177 R HN 0.616 nan 8.270 nan 0.000 0.442 178 E N 0.159 120.332 120.200 -0.046 0.000 2.051 178 E HA -0.174 4.178 4.350 0.004 0.000 0.192 178 E C 1.952 178.520 176.600 -0.053 0.000 0.991 178 E CA 0.968 57.337 56.400 -0.051 0.000 0.799 178 E CB 0.110 29.778 29.700 -0.053 0.000 0.748 178 E HN 0.233 nan 8.360 nan 0.000 0.449 179 E N 0.424 120.597 120.200 -0.045 0.000 2.150 179 E HA -0.143 4.209 4.350 0.004 0.000 0.193 179 E C 2.111 178.687 176.600 -0.041 0.000 0.985 179 E CA 0.680 57.058 56.400 -0.037 0.000 0.814 179 E CB -0.105 29.577 29.700 -0.029 0.000 0.752 179 E HN 0.336 nan 8.360 nan 0.000 0.466 180 I N 1.183 121.724 120.570 -0.048 0.000 2.286 180 I HA -0.299 3.873 4.170 0.004 0.000 0.245 180 I C 2.601 178.670 176.117 -0.080 0.000 1.104 180 I CA 1.264 62.533 61.300 -0.052 0.000 1.397 180 I CB -0.028 37.946 38.000 -0.044 0.000 1.072 180 I HN 0.069 nan 8.210 nan 0.000 0.417 181 Q N 0.985 120.732 119.800 -0.088 0.000 2.297 181 Q HA -0.159 4.184 4.340 0.004 0.000 0.204 181 Q C 1.836 177.735 176.000 -0.168 0.000 0.962 181 Q CA 1.459 57.189 55.803 -0.122 0.000 0.879 181 Q CB -0.274 28.406 28.738 -0.097 0.000 0.947 181 Q HN 0.276 nan 8.270 nan 0.000 0.462 182 K N -0.589 119.737 120.400 -0.124 0.000 2.217 182 K HA 0.062 4.385 4.320 0.004 0.000 0.202 182 K C 0.770 177.277 176.600 -0.154 0.000 1.051 182 K CA 0.891 57.108 56.287 -0.117 0.000 0.952 182 K CB 0.055 32.530 32.500 -0.043 0.000 0.736 182 K HN 0.511 nan 8.250 nan 0.000 0.453 183 G N -0.278 108.438 108.800 -0.140 0.000 2.273 183 G HA2 -0.129 3.834 3.960 0.004 0.000 0.162 183 G HA3 -0.129 3.834 3.960 0.004 0.000 0.162 183 G C 0.048 174.986 174.900 0.063 0.000 1.006 183 G CA -0.231 44.791 45.100 -0.130 0.000 0.704 183 G HN 0.385 nan 8.290 nan 0.000 0.487 184 A N 0.666 123.509 122.820 0.039 0.000 2.520 184 A HA 0.546 4.869 4.320 0.004 0.000 0.235 184 A C 1.653 179.265 177.584 0.047 0.000 1.065 184 A CA 1.800 53.866 52.037 0.047 0.000 0.764 184 A CB 0.259 19.263 19.000 0.007 0.000 1.002 184 A HN 1.405 nan 8.150 nan 0.000 0.502 185 T N -1.412 113.184 114.554 0.070 0.000 3.015 185 T HA 0.234 4.587 4.350 0.004 0.000 0.250 185 T C 0.501 175.202 174.700 0.001 0.000 1.057 185 T CA 0.673 62.831 62.100 0.097 0.000 1.066 185 T CB -0.013 68.996 68.868 0.234 0.000 0.959 185 T HN 0.941 nan 8.240 nan 0.000 0.488 186 Q N 0.164 119.904 119.800 -0.101 0.000 2.511 186 Q HA 0.542 4.885 4.340 0.004 0.000 0.289 186 Q C -1.568 174.288 176.000 -0.240 0.000 1.021 186 Q CA -1.057 54.543 55.803 -0.339 0.000 0.785 186 Q CB 1.343 29.634 28.738 -0.745 0.000 1.472 186 Q HN 0.140 nan 8.270 nan 0.000 0.411 190 M N 3.640 123.377 119.600 0.229 0.000 2.088 190 M HA 0.546 5.028 4.480 0.004 0.000 0.346 190 M C 0.389 176.794 176.300 0.176 0.000 1.111 190 M CA -0.314 55.090 55.300 0.174 0.000 1.017 190 M CB 0.778 33.407 32.600 0.048 0.000 1.568 190 M HN 0.896 nan 8.290 nan 0.000 0.445 191 A N 2.396 125.338 122.820 0.203 0.000 2.538 191 A HA 0.488 4.811 4.320 0.004 0.000 0.269 191 A C 0.486 178.137 177.584 0.112 0.000 1.231 191 A CA 0.185 52.323 52.037 0.167 0.000 0.948 191 A CB 0.316 19.411 19.000 0.159 0.000 1.110 191 A HN 0.816 nan 8.150 nan 0.000 0.529 192 S N -2.138 113.639 115.700 0.129 0.000 2.636 192 S HA 0.632 5.105 4.470 0.004 0.000 0.268 192 S C 0.221 174.874 174.600 0.088 0.000 1.159 192 S CA -0.104 58.151 58.200 0.092 0.000 0.815 192 S CB 0.339 63.582 63.200 0.072 0.000 1.130 192 S HN 1.112 nan 8.310 nan 0.000 0.471 193 G N -0.675 108.165 108.800 0.066 0.000 2.634 193 G HA2 0.603 4.566 3.960 0.004 0.000 0.255 193 G HA3 0.603 4.566 3.960 0.004 0.000 0.255 193 G C 0.390 175.323 174.900 0.055 0.000 1.205 193 G CA -0.064 45.054 45.100 0.031 0.000 0.884 193 G HN 1.398 nan 8.290 nan 0.000 0.549 194 G N -2.104 106.655 108.800 -0.069 0.000 2.871 194 G HA2 0.443 4.406 3.960 0.004 0.000 0.282 194 G HA3 0.443 4.406 3.960 0.004 0.000 0.282 194 G C 0.244 175.267 174.900 0.205 0.000 1.212 194 G CA 0.460 45.560 45.100 0.002 0.000 0.812 194 G HN 0.685 nan 8.290 nan 0.000 0.547 195 V N 0.592 120.727 119.914 0.368 0.000 2.484 195 V HA 0.279 4.401 4.120 0.004 0.000 0.236 195 V C 2.844 179.102 176.094 0.274 0.000 1.062 195 V CA 1.736 64.197 62.300 0.267 0.000 1.081 195 V CB -0.240 31.738 31.823 0.257 0.000 0.751 195 V HN 0.845 nan 8.190 nan 0.000 0.484 196 A N 0.960 123.976 122.820 0.327 0.000 2.261 196 A HA 0.202 4.525 4.320 0.004 0.000 0.208 196 A C 1.061 178.795 177.584 0.250 0.000 1.223 196 A CA 0.705 52.870 52.037 0.212 0.000 0.833 196 A CB -0.623 18.464 19.000 0.144 0.000 0.830 196 A HN 0.601 nan 8.150 nan 0.000 0.483 197 S N -1.234 114.596 115.700 0.215 0.000 2.501 197 S HA 0.600 5.073 4.470 0.004 0.000 0.301 197 S C -1.963 172.705 174.600 0.114 0.000 1.096 197 S CA -1.322 56.950 58.200 0.119 0.000 1.063 197 S CB 2.247 65.380 63.200 -0.112 0.000 1.042 197 S HN 0.082 nan 8.310 nan 0.000 0.494 198 P HA 0.042 nan 4.420 nan 0.000 0.217 198 P C 1.039 178.362 177.300 0.037 0.000 1.154 198 P CA 1.184 64.323 63.100 0.066 0.000 0.841 198 P CB -0.363 31.376 31.700 0.065 0.000 0.790 199 T N -1.949 112.614 114.554 0.015 0.000 3.264 199 T HA 0.181 4.533 4.350 0.004 0.000 0.257 199 T C -0.204 174.495 174.700 -0.002 0.000 0.976 199 T CA -0.570 61.531 62.100 0.003 0.000 0.908 199 T CB -1.010 67.853 68.868 -0.009 0.000 1.082 199 T HN 0.130 nan 8.240 nan 0.000 0.567 200 D N 0.064 120.474 120.400 0.016 0.000 2.479 200 D HA 0.299 4.941 4.640 0.004 0.000 0.246 200 D C -3.422 172.896 176.300 0.029 0.000 1.336 200 D CA -1.813 52.197 54.000 0.016 0.000 0.967 200 D CB 2.014 42.821 40.800 0.011 0.000 1.275 200 D HN 0.046 nan 8.370 nan 0.000 0.577 201 P HA 0.096 nan 4.420 nan 0.000 0.268 201 P C 1.605 178.912 177.300 0.013 0.000 1.205 201 P CA -0.471 62.632 63.100 0.005 0.000 0.771 201 P CB 0.860 32.556 31.700 -0.006 0.000 0.858 202 I N 0.014 120.582 120.570 -0.003 0.000 2.916 202 I HA -0.112 4.060 4.170 0.004 0.000 0.267 202 I C 1.325 177.464 176.117 0.037 0.000 1.263 202 I CA 1.394 62.710 61.300 0.027 0.000 1.471 202 I CB -0.572 37.343 38.000 -0.141 0.000 1.089 202 I HN 0.167 nan 8.210 nan 0.000 0.468 203 A N 2.445 125.266 122.820 0.001 0.000 2.021 203 A HA -0.010 4.312 4.320 0.004 0.000 0.216 203 A C 1.116 178.709 177.584 0.015 0.000 1.163 203 A CA 0.657 52.694 52.037 -0.000 0.000 0.676 203 A CB -0.555 18.434 19.000 -0.019 0.000 0.818 203 A HN 0.750 nan 8.150 nan 0.000 0.453 204 N N 0.811 119.521 118.700 0.016 0.000 2.487 204 N HA 0.247 4.989 4.740 0.004 0.000 0.292 204 N C -0.427 175.096 175.510 0.021 0.000 1.108 204 N CA 0.308 53.366 53.050 0.014 0.000 0.956 204 N CB 0.984 39.473 38.487 0.004 0.000 1.176 204 N HN 0.140 nan 8.380 nan 0.000 0.484 205 T N -0.990 113.576 114.554 0.020 0.000 2.910 205 T HA 0.220 4.572 4.350 0.004 0.000 0.293 205 T C -0.057 174.650 174.700 0.012 0.000 1.015 205 T CA -0.612 61.505 62.100 0.028 0.000 1.094 205 T CB 1.138 70.026 68.868 0.034 0.000 0.968 205 T HN 0.555 nan 8.240 nan 0.000 0.521 206 Q N 1.106 120.913 119.800 0.011 0.000 2.301 206 Q HA 0.481 4.823 4.340 0.004 0.000 0.267 206 Q C -1.251 174.767 176.000 0.031 0.000 1.035 206 Q CA -0.999 54.770 55.803 -0.057 0.000 0.856 206 Q CB 1.821 30.473 28.738 -0.143 0.000 1.337 206 Q HN 0.854 nan 8.270 nan 0.000 0.450 207 Y N -0.468 119.841 120.300 0.016 0.000 2.535 207 Y HA -0.293 4.260 4.550 0.005 0.000 0.023 207 Y C 0.213 176.119 175.900 0.011 0.000 1.731 207 Y CA -0.050 58.058 58.100 0.012 0.000 1.399 207 Y CB -0.344 38.125 38.460 0.015 0.000 2.046 207 Y HN 0.797 nan 8.280 nan 0.000 0.258 208 S N 1.629 117.463 115.700 0.223 0.000 2.603 208 S HA 0.208 4.680 4.470 0.004 0.000 0.268 208 S C 0.696 175.340 174.600 0.073 0.000 1.317 208 S CA -0.166 58.099 58.200 0.110 0.000 1.012 208 S CB 1.641 64.888 63.200 0.079 0.000 0.926 208 S HN 0.686 nan 8.310 nan 0.000 0.539 209 E N 0.415 120.642 120.200 0.045 0.000 2.338 209 E HA -0.120 4.232 4.350 0.004 0.000 0.197 209 E C 0.642 177.245 176.600 0.005 0.000 1.007 209 E CA 0.969 57.383 56.400 0.023 0.000 0.849 209 E CB -0.072 29.639 29.700 0.019 0.000 0.774 209 E HN 0.647 nan 8.360 nan 0.000 0.506 210 D N 0.471 120.874 120.400 0.005 0.000 2.234 210 D HA -0.073 4.570 4.640 0.004 0.000 0.205 210 D C 1.472 177.751 176.300 -0.035 0.000 0.962 210 D CA 0.711 54.706 54.000 -0.009 0.000 0.855 210 D CB 0.102 40.901 40.800 -0.001 0.000 0.951 210 D HN 0.192 nan 8.370 nan 0.000 0.500 211 E N -0.071 120.102 120.200 -0.046 0.000 2.072 211 E HA -0.021 4.332 4.350 0.004 0.000 0.190 211 E C 2.127 178.604 176.600 -0.205 0.000 0.982 211 E CA 0.395 56.713 56.400 -0.138 0.000 0.803 211 E CB 0.125 29.729 29.700 -0.159 0.000 0.755 211 E HN 0.267 nan 8.360 nan 0.000 0.453 212 I N 0.708 121.197 120.570 -0.136 0.000 2.252 212 I HA -0.242 3.931 4.170 0.004 0.000 0.245 212 I C 2.431 178.505 176.117 -0.071 0.000 1.102 212 I CA 1.002 62.237 61.300 -0.107 0.000 1.385 212 I CB -0.206 37.781 38.000 -0.021 0.000 1.064 212 I HN -0.005 nan 8.210 nan 0.000 0.414 213 R N 0.760 121.232 120.500 -0.047 0.000 2.115 213 R HA -0.101 4.242 4.340 0.004 0.000 0.230 213 R C 2.468 178.745 176.300 -0.039 0.000 1.111 213 R CA 1.333 57.415 56.100 -0.030 0.000 0.976 213 R CB -0.366 29.924 30.300 -0.017 0.000 0.870 213 R HN 0.377 nan 8.270 nan 0.000 0.445 214 A N 1.097 123.881 122.820 -0.059 0.000 1.902 214 A HA -0.141 4.182 4.320 0.004 0.000 0.217 214 A C 2.090 179.633 177.584 -0.068 0.000 1.181 214 A CA 1.192 53.193 52.037 -0.061 0.000 0.623 214 A CB -0.373 18.583 19.000 -0.073 0.000 0.818 214 A HN 0.166 nan 8.150 nan 0.000 0.443 215 I N -0.770 119.742 120.570 -0.097 0.000 2.163 215 I HA -0.187 3.985 4.170 0.004 0.000 0.240 215 I C 2.376 178.462 176.117 -0.052 0.000 1.081 215 I CA 0.981 62.226 61.300 -0.092 0.000 1.353 215 I CB -0.393 37.525 38.000 -0.137 0.000 1.054 215 I HN 0.137 nan 8.210 nan 0.000 0.407 216 V N 1.089 120.981 119.914 -0.037 0.000 2.282 216 V HA -0.351 3.772 4.120 0.004 0.000 0.249 216 V C 1.919 178.014 176.094 0.001 0.000 1.057 216 V CA 2.357 64.654 62.300 -0.004 0.000 1.032 216 V CB -0.683 31.144 31.823 0.007 0.000 0.645 216 V HN 0.420 nan 8.190 nan 0.000 0.447 217 D N -0.982 119.413 120.400 -0.008 0.000 2.224 217 D HA -0.089 4.554 4.640 0.004 0.000 0.205 217 D C 2.264 178.560 176.300 -0.007 0.000 0.965 217 D CA 0.589 54.588 54.000 -0.003 0.000 0.852 217 D CB -0.106 40.691 40.800 -0.006 0.000 0.947 217 D HN 0.358 nan 8.370 nan 0.000 0.494 218 E N 0.051 120.240 120.200 -0.019 0.000 2.230 218 E HA 0.070 4.423 4.350 0.004 0.000 0.192 218 E C 1.935 178.524 176.600 -0.019 0.000 0.987 218 E CA 0.334 56.721 56.400 -0.022 0.000 0.841 218 E CB 0.054 29.734 29.700 -0.034 0.000 0.783 218 E HN 0.217 nan 8.360 nan 0.000 0.481 219 A N 1.376 124.186 122.820 -0.018 0.000 1.854 219 A HA -0.155 4.167 4.320 0.004 0.000 0.214 219 A C 2.023 179.615 177.584 0.013 0.000 1.192 219 A CA 1.223 53.251 52.037 -0.014 0.000 0.611 219 A CB -0.433 18.554 19.000 -0.023 0.000 0.832 219 A HN 0.146 nan 8.150 nan 0.000 0.442 220 E N -0.235 119.981 120.200 0.027 0.000 2.160 220 E HA -0.149 4.204 4.350 0.004 0.000 0.195 220 E C 2.127 178.743 176.600 0.027 0.000 0.991 220 E CA 0.907 57.331 56.400 0.040 0.000 0.810 220 E CB -0.252 29.472 29.700 0.040 0.000 0.742 220 E HN 0.616 nan 8.360 nan 0.000 0.466 221 A N 0.888 123.717 122.820 0.014 0.000 2.067 221 A HA 0.053 4.376 4.320 0.004 0.000 0.219 221 A C 1.988 179.577 177.584 0.008 0.000 1.158 221 A CA 1.206 53.248 52.037 0.008 0.000 0.661 221 A CB -0.019 18.981 19.000 0.000 0.000 0.801 221 A HN 0.213 nan 8.150 nan 0.000 0.452 222 A N -0.306 122.519 122.820 0.008 0.000 2.684 222 A HA 0.355 4.678 4.320 0.004 0.000 0.288 222 A C 0.414 178.012 177.584 0.024 0.000 1.337 222 A CA -0.268 51.773 52.037 0.008 0.000 0.946 222 A CB -0.556 18.442 19.000 -0.005 0.000 1.093 222 A HN 0.406 nan 8.150 nan 0.000 0.543 223 N N 0.277 118.998 118.700 0.034 0.000 2.714 223 N HA -0.149 4.594 4.740 0.004 0.000 0.252 223 N C 0.150 175.708 175.510 0.079 0.000 1.014 223 N CA 1.651 54.732 53.050 0.052 0.000 0.735 223 N CB -1.089 37.425 38.487 0.045 0.000 0.924 223 N HN 0.669 nan 8.380 nan 0.000 0.540 224 T N -1.500 113.106 114.554 0.087 0.000 2.590 224 T HA 0.713 5.066 4.350 0.004 0.000 0.282 224 T C -1.376 173.439 174.700 0.193 0.000 0.989 224 T CA -0.404 61.778 62.100 0.136 0.000 1.091 224 T CB 1.260 70.151 68.868 0.039 0.000 1.460 224 T HN 0.238 nan 8.240 nan 0.000 0.499 225 Y N -1.487 118.823 120.300 0.016 0.000 2.715 225 Y HA 0.836 5.389 4.550 0.005 0.000 0.331 225 Y C -1.647 174.265 175.900 0.020 0.000 1.197 225 Y CA -1.273 56.840 58.100 0.021 0.000 1.079 225 Y CB 0.830 39.307 38.460 0.029 0.000 1.298 225 Y HN 0.333 nan 8.280 nan 0.000 0.477 226 V N 4.010 123.986 119.914 0.105 0.000 2.417 226 V HA 0.382 4.505 4.120 0.004 0.000 0.291 226 V C 0.005 176.173 176.094 0.123 0.000 1.024 226 V CA -0.814 61.490 62.300 0.006 0.000 0.861 226 V CB 1.265 33.111 31.823 0.038 0.000 0.985 226 V HN 0.817 nan 8.190 nan 0.000 0.436 227 M N 3.697 123.311 119.600 0.023 0.000 2.318 227 M HA 0.932 5.415 4.480 0.004 0.000 0.347 227 M C -0.414 175.954 176.300 0.113 0.000 1.175 227 M CA -0.368 55.004 55.300 0.120 0.000 1.075 227 M CB 1.728 34.391 32.600 0.105 0.000 1.614 227 M HN 0.559 nan 8.290 nan 0.000 0.456 228 A N 1.594 124.495 122.820 0.135 0.000 2.414 228 A HA 0.415 4.737 4.320 0.004 0.000 0.286 228 A C -1.310 176.372 177.584 0.163 0.000 1.073 228 A CA -0.652 51.475 52.037 0.150 0.000 0.727 228 A CB 0.457 19.528 19.000 0.117 0.000 1.215 228 A HN 1.018 nan 8.150 nan 0.000 0.430 229 H N 2.210 121.354 119.070 0.123 0.000 3.046 229 H HA 0.473 5.031 4.556 0.004 0.000 0.303 229 H C 0.052 175.369 175.328 -0.017 0.000 1.002 229 H CA 1.350 57.462 56.048 0.107 0.000 1.460 229 H CB 0.415 30.270 29.762 0.155 0.000 1.493 229 H HN 1.020 nan 8.280 nan 0.000 0.559 230 A N 5.188 127.754 122.820 -0.424 0.000 2.512 230 A HA 0.297 4.619 4.320 0.004 0.000 0.294 230 A C -1.400 175.992 177.584 -0.320 0.000 1.054 230 A CA -0.730 51.142 52.037 -0.274 0.000 0.756 230 A CB 0.275 19.242 19.000 -0.055 0.000 1.293 230 A HN 0.675 nan 8.150 nan 0.000 0.395 231 Y N 1.315 121.531 120.300 -0.141 0.000 2.331 231 Y HA 0.161 4.714 4.550 0.005 0.000 0.282 231 Y C 2.166 178.030 175.900 -0.059 0.000 1.140 231 Y CA 1.456 59.486 58.100 -0.116 0.000 1.198 231 Y CB -0.344 38.024 38.460 -0.154 0.000 1.159 231 Y HN 0.744 nan 8.280 nan 0.000 0.512 232 T N -1.298 113.338 114.554 0.136 0.000 2.860 232 T HA 0.276 4.629 4.350 0.004 0.000 0.299 232 T C 1.613 176.340 174.700 0.045 0.000 1.045 232 T CA -0.035 62.100 62.100 0.058 0.000 1.071 232 T CB 1.277 70.165 68.868 0.033 0.000 0.985 232 T HN 0.407 nan 8.240 nan 0.000 0.537 233 G N 0.501 109.315 108.800 0.024 0.000 2.422 233 G HA2 -0.223 3.739 3.960 0.004 0.000 0.218 233 G HA3 -0.223 3.739 3.960 0.004 0.000 0.218 233 G C 1.526 176.440 174.900 0.023 0.000 1.146 233 G CA 0.777 45.891 45.100 0.023 0.000 0.769 233 G HN 0.885 nan 8.290 nan 0.000 0.547 234 R N 0.648 121.158 120.500 0.017 0.000 2.094 234 R HA -0.073 4.269 4.340 0.004 0.000 0.239 234 R C 2.762 179.075 176.300 0.022 0.000 1.137 234 R CA 1.888 57.998 56.100 0.016 0.000 0.943 234 R CB -0.506 29.801 30.300 0.013 0.000 0.850 234 R HN 0.266 nan 8.270 nan 0.000 0.433 235 A N 0.514 123.351 122.820 0.028 0.000 1.969 235 A HA -0.068 4.255 4.320 0.004 0.000 0.218 235 A C 2.149 179.751 177.584 0.031 0.000 1.169 235 A CA 1.210 53.267 52.037 0.033 0.000 0.635 235 A CB -0.362 18.662 19.000 0.039 0.000 0.810 235 A HN 0.405 nan 8.150 nan 0.000 0.445 236 I N -0.356 120.233 120.570 0.031 0.000 2.163 236 I HA -0.237 3.936 4.170 0.004 0.000 0.240 236 I C 2.998 179.124 176.117 0.015 0.000 1.081 236 I CA 1.006 62.325 61.300 0.033 0.000 1.353 236 I CB -0.347 37.688 38.000 0.059 0.000 1.054 236 I HN 0.331 nan 8.210 nan 0.000 0.407 237 A N 1.753 124.580 122.820 0.012 0.000 1.892 237 A HA -0.284 4.039 4.320 0.004 0.000 0.218 237 A C 2.307 179.872 177.584 -0.032 0.000 1.188 237 A CA 2.463 54.495 52.037 -0.008 0.000 0.631 237 A CB -0.793 18.209 19.000 0.004 0.000 0.822 237 A HN 0.513 nan 8.150 nan 0.000 0.447 238 R N -0.159 120.335 120.500 -0.011 0.000 2.075 238 R HA 0.142 4.485 4.340 0.004 0.000 0.232 238 R C 2.253 178.542 176.300 -0.018 0.000 1.126 238 R CA 1.467 57.560 56.100 -0.011 0.000 0.963 238 R CB -0.869 29.438 30.300 0.011 0.000 0.858 238 R HN 0.334 nan 8.270 nan 0.000 0.435 239 A N 1.406 124.225 122.820 -0.002 0.000 1.902 239 A HA -0.078 4.244 4.320 0.004 0.000 0.217 239 A C 2.454 180.020 177.584 -0.030 0.000 1.181 239 A CA 1.641 53.682 52.037 0.006 0.000 0.623 239 A CB -0.669 18.352 19.000 0.034 0.000 0.818 239 A HN 0.164 nan 8.150 nan 0.000 0.443 240 V N -0.303 119.572 119.914 -0.066 0.000 2.427 240 V HA -0.208 3.915 4.120 0.004 0.000 0.248 240 V C 2.573 178.484 176.094 -0.305 0.000 1.051 240 V CA 2.113 64.326 62.300 -0.145 0.000 1.048 240 V CB -0.733 31.007 31.823 -0.138 0.000 0.666 240 V HN 0.515 nan 8.190 nan 0.000 0.456 241 R N -1.204 119.135 120.500 -0.268 0.000 2.189 241 R HA -0.079 4.264 4.340 0.004 0.000 0.218 241 R C 1.940 178.173 176.300 -0.111 0.000 1.074 241 R CA 1.314 57.258 56.100 -0.259 0.000 0.991 241 R CB -0.293 29.928 30.300 -0.131 0.000 0.883 241 R HN 0.477 nan 8.270 nan 0.000 0.457 242 C N -0.738 118.520 119.300 -0.070 0.000 2.697 242 C HA 0.277 4.740 4.460 0.004 0.000 0.267 242 C C 1.230 176.213 174.990 -0.011 0.000 1.278 242 C CA 0.418 59.421 59.018 -0.025 0.000 1.708 242 C CB -0.129 27.604 27.740 -0.012 0.000 1.860 242 C HN 0.750 nan 8.230 nan 0.000 0.589 243 G N 1.125 109.911 108.800 -0.024 0.000 2.167 243 G HA2 -0.123 3.840 3.960 0.004 0.000 0.194 243 G HA3 -0.123 3.840 3.960 0.004 0.000 0.194 243 G C 0.002 174.927 174.900 0.042 0.000 1.027 243 G CA 0.209 45.319 45.100 0.018 0.000 0.717 243 G HN 0.940 nan 8.290 nan 0.000 0.501 244 V N -1.838 118.097 119.914 0.035 0.000 2.775 244 V HA 0.736 4.859 4.120 0.004 0.000 0.299 244 V C 1.412 177.570 176.094 0.107 0.000 1.062 244 V CA 0.415 62.763 62.300 0.081 0.000 1.063 244 V CB 1.595 33.463 31.823 0.076 0.000 0.994 244 V HN 0.381 nan 8.190 nan 0.000 0.483 245 R N 2.150 122.762 120.500 0.187 0.000 2.074 245 R HA 0.150 4.492 4.340 0.004 0.000 0.218 245 R C 0.938 177.372 176.300 0.224 0.000 1.137 245 R CA 1.089 57.307 56.100 0.196 0.000 0.998 245 R CB 0.030 30.447 30.300 0.195 0.000 0.895 245 R HN 0.985 nan 8.270 nan 0.000 0.442 246 T N -0.914 113.793 114.554 0.255 0.000 2.823 246 T HA 0.472 4.825 4.350 0.004 0.000 0.279 246 T C -0.181 174.596 174.700 0.128 0.000 0.998 246 T CA -0.872 61.351 62.100 0.205 0.000 0.994 246 T CB 1.626 70.611 68.868 0.195 0.000 0.960 246 T HN -0.083 nan 8.240 nan 0.000 0.448 247 I N 3.362 123.970 120.570 0.064 0.000 2.330 247 I HA 0.342 4.515 4.170 0.004 0.000 0.289 247 I C 0.322 176.414 176.117 -0.042 0.000 1.001 247 I CA -0.696 60.615 61.300 0.018 0.000 1.193 247 I CB 1.403 39.405 38.000 0.004 0.000 1.345 247 I HN 0.744 nan 8.210 nan 0.000 0.461 248 E N 6.443 126.605 120.200 -0.063 0.000 2.343 248 E HA 0.234 4.586 4.350 0.004 0.000 0.269 248 E C 0.747 177.145 176.600 -0.337 0.000 1.047 248 E CA -0.209 56.025 56.400 -0.278 0.000 0.874 248 E CB 0.745 30.291 29.700 -0.258 0.000 1.033 248 E HN 0.511 nan 8.360 nan 0.000 0.409 249 H N 1.687 120.653 119.070 -0.174 0.000 1.885 249 H HA -0.315 4.244 4.556 0.005 0.000 0.090 249 H C 1.175 176.531 175.328 0.047 0.000 0.597 249 H CA 1.683 57.692 56.048 -0.064 0.000 1.852 249 H CB -1.453 28.197 29.762 -0.187 0.000 2.184 249 H HN 0.837 nan 8.280 nan 0.000 0.953 250 G N 1.897 110.784 108.800 0.146 0.000 2.203 250 G HA2 -0.402 3.561 3.960 0.004 0.000 0.263 250 G HA3 -0.402 3.561 3.960 0.004 0.000 0.263 250 G C 0.776 175.845 174.900 0.283 0.000 1.012 250 G CA 1.380 46.616 45.100 0.228 0.000 0.749 250 G HN 0.667 nan 8.290 nan 0.000 0.512 251 N N -0.239 118.632 118.700 0.285 0.000 2.137 251 N HA -0.077 4.666 4.740 0.004 0.000 0.190 251 N C 1.605 177.124 175.510 0.015 0.000 1.017 251 N CA 1.556 54.684 53.050 0.130 0.000 0.859 251 N CB -0.156 38.331 38.487 0.000 0.000 1.002 251 N HN 0.584 nan 8.380 nan 0.000 0.428 252 L N 0.754 121.997 121.223 0.034 0.000 3.034 252 L HA 0.299 4.642 4.340 0.004 0.000 0.245 252 L C -0.350 176.500 176.870 -0.033 0.000 1.295 252 L CA -0.589 54.231 54.840 -0.034 0.000 1.068 252 L CB -0.169 41.860 42.059 -0.051 0.000 1.426 252 L HN -0.065 nan 8.230 nan 0.000 0.531 253 V N -2.428 117.448 119.914 -0.064 0.000 2.963 253 V HA 0.189 4.312 4.120 0.004 0.000 0.306 253 V C 0.126 176.156 176.094 -0.107 0.000 1.077 253 V CA -0.764 61.483 62.300 -0.088 0.000 1.124 253 V CB 0.413 32.107 31.823 -0.215 0.000 0.987 253 V HN 0.394 nan 8.190 nan 0.000 0.487 254 D N 1.526 121.884 120.400 -0.070 0.000 2.494 254 D HA 0.331 4.973 4.640 0.004 0.000 0.259 254 D C 0.897 177.156 176.300 -0.068 0.000 1.109 254 D CA -0.509 53.450 54.000 -0.067 0.000 1.040 254 D CB 0.581 41.358 40.800 -0.038 0.000 1.175 254 D HN 0.608 nan 8.370 nan 0.000 0.584 255 E N -0.065 120.102 120.200 -0.056 0.000 2.274 255 E HA -0.132 4.221 4.350 0.004 0.000 0.194 255 E C 1.668 178.263 176.600 -0.009 0.000 0.996 255 E CA 0.789 57.164 56.400 -0.041 0.000 0.840 255 E CB -0.432 29.245 29.700 -0.039 0.000 0.772 255 E HN 0.472 nan 8.360 nan 0.000 0.491 256 A N 2.145 124.963 122.820 -0.004 0.000 1.873 256 A HA 0.089 4.411 4.320 0.004 0.000 0.215 256 A C 2.511 180.114 177.584 0.032 0.000 1.186 256 A CA 1.944 53.989 52.037 0.014 0.000 0.616 256 A CB -0.667 18.339 19.000 0.009 0.000 0.823 256 A HN 0.356 nan 8.150 nan 0.000 0.442 257 A N -0.418 122.420 122.820 0.030 0.000 1.968 257 A HA 0.288 4.610 4.320 0.004 0.000 0.217 257 A C 2.408 180.044 177.584 0.088 0.000 1.169 257 A CA 1.689 53.757 52.037 0.051 0.000 0.638 257 A CB -0.787 18.240 19.000 0.045 0.000 0.812 257 A HN 0.962 nan 8.150 nan 0.000 0.446 258 A N -0.059 122.811 122.820 0.084 0.000 1.930 258 A HA -0.131 4.191 4.320 0.004 0.000 0.217 258 A C 2.125 179.784 177.584 0.125 0.000 1.175 258 A CA 1.771 53.890 52.037 0.137 0.000 0.627 258 A CB -0.400 18.643 19.000 0.070 0.000 0.815 258 A HN 0.478 nan 8.150 nan 0.000 0.443 259 K N -0.701 119.750 120.400 0.086 0.000 2.147 259 K HA -0.120 4.202 4.320 0.004 0.000 0.205 259 K C 1.837 178.522 176.600 0.141 0.000 1.049 259 K CA 1.398 57.744 56.287 0.099 0.000 0.936 259 K CB -0.229 32.308 32.500 0.062 0.000 0.722 259 K HN 0.365 nan 8.250 nan 0.000 0.446 260 L N 1.096 122.394 121.223 0.125 0.000 2.109 260 L HA -0.058 4.285 4.340 0.004 0.000 0.207 260 L C 2.186 179.165 176.870 0.180 0.000 1.086 260 L CA 1.451 56.386 54.840 0.157 0.000 0.760 260 L CB -0.222 41.904 42.059 0.111 0.000 0.910 260 L HN 0.198 nan 8.230 nan 0.000 0.437 261 M N -1.751 117.928 119.600 0.132 0.000 2.229 261 M HA -0.210 4.272 4.480 0.004 0.000 0.264 261 M C 2.243 178.586 176.300 0.072 0.000 1.063 261 M CA 1.524 56.878 55.300 0.091 0.000 1.114 261 M CB -0.424 32.220 32.600 0.075 0.000 1.387 261 M HN 0.412 nan 8.290 nan 0.000 0.420 262 H N 0.557 119.634 119.070 0.011 0.000 2.321 262 H HA -0.134 4.425 4.556 0.005 0.000 0.300 262 H C 1.667 176.975 175.328 -0.033 0.000 1.087 262 H CA 2.194 58.228 56.048 -0.023 0.000 1.319 262 H CB 0.077 29.838 29.762 -0.003 0.000 1.379 262 H HN 0.390 nan 8.280 nan 0.000 0.501 263 E N -1.307 118.852 120.200 -0.068 0.000 2.152 263 E HA -0.117 4.235 4.350 0.004 0.000 0.192 263 E C 1.483 177.959 176.600 -0.206 0.000 0.983 263 E CA 0.957 57.255 56.400 -0.171 0.000 0.818 263 E CB 0.057 29.713 29.700 -0.074 0.000 0.758 263 E HN 0.659 nan 8.360 nan 0.000 0.467 264 H N -1.059 117.951 119.070 -0.100 0.000 2.548 264 H HA 0.185 4.743 4.556 0.005 0.000 0.265 264 H C 0.673 175.927 175.328 -0.124 0.000 0.969 264 H CA 0.595 56.591 56.048 -0.086 0.000 1.155 264 H CB 0.870 30.605 29.762 -0.045 0.000 1.394 264 H HN 0.238 nan 8.280 nan 0.000 0.570 265 G N 0.343 109.080 108.800 -0.105 0.000 2.289 265 G HA2 -0.151 3.811 3.960 0.004 0.000 0.280 265 G HA3 -0.151 3.811 3.960 0.004 0.000 0.280 265 G C -0.071 174.650 174.900 -0.298 0.000 1.089 265 G CA 0.182 45.147 45.100 -0.226 0.000 0.939 265 G HN 0.632 nan 8.290 nan 0.000 0.499 266 A N -0.384 122.285 122.820 -0.252 0.000 2.324 266 A HA 0.918 5.240 4.320 0.004 0.000 0.330 266 A C -0.136 177.252 177.584 -0.326 0.000 1.165 266 A CA -0.700 51.215 52.037 -0.204 0.000 0.813 266 A CB 1.027 20.003 19.000 -0.041 0.000 1.197 266 A HN 0.587 nan 8.150 nan 0.000 0.484 267 F N 0.759 120.672 119.950 -0.062 0.000 2.408 267 F HA 0.584 5.112 4.527 0.002 0.000 0.325 267 F C 0.341 176.059 175.800 -0.137 0.000 1.082 267 F CA -0.470 57.473 58.000 -0.095 0.000 1.032 267 F CB 1.751 40.691 39.000 -0.100 0.000 1.259 267 F HN 0.267 nan 8.300 nan 0.000 0.503 268 V N 1.877 121.781 119.914 -0.016 0.000 2.604 268 V HA 0.440 4.562 4.120 0.004 0.000 0.305 268 V C -0.791 175.226 176.094 -0.128 0.000 1.043 268 V CA -0.862 61.319 62.300 -0.197 0.000 0.888 268 V CB 1.908 33.337 31.823 -0.658 0.000 0.995 268 V HN 0.470 nan 8.190 nan 0.000 0.429 269 V N 6.352 126.192 119.914 -0.124 0.000 2.266 269 V HA 0.328 4.450 4.120 0.004 0.000 0.271 269 V C -2.449 173.533 176.094 -0.187 0.000 1.032 269 V CA -1.767 60.456 62.300 -0.128 0.000 0.806 269 V CB 1.176 32.950 31.823 -0.082 0.000 1.052 269 V HN 0.725 nan 8.190 nan 0.000 0.449 270 P HA 0.261 nan 4.420 nan 0.000 0.271 270 P C 0.220 177.447 177.300 -0.123 0.000 1.218 270 P CA 0.061 63.133 63.100 -0.047 0.000 0.780 270 P CB 0.584 32.306 31.700 0.038 0.000 0.901 271 T N -0.779 113.753 114.554 -0.037 0.000 3.504 271 T HA 0.318 4.670 4.350 0.004 0.000 0.286 271 T C 0.817 175.471 174.700 -0.076 0.000 1.530 271 T CA -0.465 61.551 62.100 -0.139 0.000 1.652 271 T CB -1.074 67.663 68.868 -0.219 0.000 0.895 271 T HN 0.068 nan 8.240 nan 0.000 0.674 272 L N 0.554 121.784 121.223 0.013 0.000 2.156 272 L HA 0.050 4.393 4.340 0.004 0.000 0.208 272 L C 2.705 179.598 176.870 0.039 0.000 1.095 272 L CA 0.500 55.434 54.840 0.156 0.000 0.770 272 L CB -0.496 41.633 42.059 0.116 0.000 0.914 272 L HN 0.438 nan 8.230 nan 0.000 0.439 273 V N -0.506 119.367 119.914 -0.067 0.000 2.594 273 V HA -0.287 3.836 4.120 0.004 0.000 0.253 273 V C 2.492 178.529 176.094 -0.095 0.000 1.069 273 V CA 2.391 64.657 62.300 -0.056 0.000 1.082 273 V CB -0.117 31.685 31.823 -0.036 0.000 0.680 273 V HN 0.514 nan 8.190 nan 0.000 0.469 274 T N -1.485 112.939 114.554 -0.215 0.000 3.055 274 T HA -0.069 4.284 4.350 0.004 0.000 0.265 274 T C 1.392 175.938 174.700 -0.258 0.000 1.111 274 T CA 1.057 63.004 62.100 -0.255 0.000 1.118 274 T CB -0.219 68.463 68.868 -0.311 0.000 0.909 274 T HN 0.677 nan 8.240 nan 0.000 0.501 275 Y N 1.058 121.367 120.300 0.015 0.000 2.420 275 Y HA 0.177 4.729 4.550 0.004 0.000 0.292 275 Y C 2.133 178.011 175.900 -0.037 0.000 1.119 275 Y CA 0.116 58.214 58.100 -0.003 0.000 1.229 275 Y CB -0.252 38.206 38.460 -0.002 0.000 1.026 275 Y HN 0.238 nan 8.280 nan 0.000 0.554 276 D N -0.266 120.173 120.400 0.065 0.000 2.194 276 D HA -0.047 4.596 4.640 0.004 0.000 0.204 276 D C 2.199 178.441 176.300 -0.097 0.000 0.964 276 D CA 1.178 55.164 54.000 -0.023 0.000 0.846 276 D CB -0.328 40.447 40.800 -0.042 0.000 0.962 276 D HN 0.271 nan 8.370 nan 0.000 0.490 277 A N 0.290 123.055 122.820 -0.091 0.000 1.929 277 A HA -0.014 4.309 4.320 0.004 0.000 0.216 277 A C 2.141 179.727 177.584 0.003 0.000 1.176 277 A CA 0.694 52.682 52.037 -0.081 0.000 0.628 277 A CB -0.552 18.424 19.000 -0.040 0.000 0.816 277 A HN 0.194 nan 8.150 nan 0.000 0.444 278 L N -1.070 120.163 121.223 0.016 0.000 2.341 278 L HA -0.006 4.337 4.340 0.004 0.000 0.214 278 L C 2.870 179.739 176.870 -0.002 0.000 1.115 278 L CA 0.623 55.488 54.840 0.042 0.000 0.820 278 L CB -0.283 41.821 42.059 0.075 0.000 0.944 278 L HN 0.425 nan 8.230 nan 0.000 0.452 279 A N 0.088 122.889 122.820 -0.032 0.000 1.929 279 A HA -0.158 4.164 4.320 0.004 0.000 0.216 279 A C 2.256 179.754 177.584 -0.144 0.000 1.176 279 A CA 1.350 53.348 52.037 -0.066 0.000 0.628 279 A CB -0.105 18.863 19.000 -0.054 0.000 0.816 279 A HN 0.177 nan 8.150 nan 0.000 0.444 280 K N -0.520 119.727 120.400 -0.256 0.000 1.991 280 K HA -0.001 4.322 4.320 0.004 0.000 0.208 280 K C 0.662 176.949 176.600 -0.522 0.000 1.038 280 K CA 1.428 57.413 56.287 -0.503 0.000 0.943 280 K CB -0.071 31.897 32.500 -0.888 0.000 0.736 280 K HN 0.642 nan 8.250 nan 0.000 0.440 281 H N -1.093 117.930 119.070 -0.079 0.000 2.507 281 H HA 0.288 4.846 4.556 0.004 0.000 0.281 281 H C 0.964 176.246 175.328 -0.076 0.000 1.160 281 H CA 0.098 56.058 56.048 -0.147 0.000 0.981 281 H CB 0.520 30.205 29.762 -0.129 0.000 1.665 281 H HN 0.329 nan 8.280 nan 0.000 0.554 282 G N 1.053 109.859 108.800 0.009 0.000 2.496 282 G HA2 -0.148 3.814 3.960 0.004 0.000 0.214 282 G HA3 -0.148 3.814 3.960 0.004 0.000 0.214 282 G C 1.697 176.619 174.900 0.037 0.000 1.234 282 G CA 0.828 45.956 45.100 0.046 0.000 0.807 282 G HN 0.450 nan 8.290 nan 0.000 0.543 283 A N 0.229 123.045 122.820 -0.006 0.000 2.066 283 A HA 0.099 4.421 4.320 0.004 0.000 0.218 283 A C 2.073 179.638 177.584 -0.031 0.000 1.157 283 A CA 1.809 53.842 52.037 -0.007 0.000 0.670 283 A CB -0.353 18.637 19.000 -0.017 0.000 0.804 283 A HN 0.524 nan 8.150 nan 0.000 0.453 284 E N -0.925 119.212 120.200 -0.106 0.000 2.085 284 E HA -0.188 4.165 4.350 0.004 0.000 0.194 284 E C 0.514 176.987 176.600 -0.212 0.000 0.994 284 E CA 1.241 57.499 56.400 -0.237 0.000 0.801 284 E CB -0.146 29.289 29.700 -0.442 0.000 0.743 284 E HN 0.576 nan 8.360 nan 0.000 0.453 285 F N -0.846 119.139 119.950 0.059 0.000 2.660 285 F HA 0.341 4.871 4.527 0.004 0.000 0.302 285 F C 1.265 177.077 175.800 0.020 0.000 1.103 285 F CA 0.542 58.566 58.000 0.040 0.000 1.340 285 F CB 1.111 40.139 39.000 0.047 0.000 1.048 285 F HN 0.203 nan 8.300 nan 0.000 0.551 286 G N 0.357 109.248 108.800 0.151 0.000 2.154 286 G HA2 -0.262 3.701 3.960 0.004 0.000 0.186 286 G HA3 -0.262 3.701 3.960 0.004 0.000 0.186 286 G C 0.269 175.204 174.900 0.058 0.000 1.000 286 G CA -0.224 44.929 45.100 0.088 0.000 0.664 286 G HN 0.267 nan 8.290 nan 0.000 0.513 287 M N 2.034 121.672 119.600 0.064 0.000 2.200 287 M HA 0.484 4.967 4.480 0.004 0.000 0.355 287 M C -1.792 174.529 176.300 0.035 0.000 1.283 287 M CA -1.650 53.678 55.300 0.045 0.000 1.124 287 M CB 0.560 33.195 32.600 0.058 0.000 1.625 287 M HN -0.066 nan 8.290 nan 0.000 0.463 288 P HA -0.054 nan 4.420 nan 0.000 0.263 288 P C -2.372 174.945 177.300 0.029 0.000 1.162 288 P CA -0.570 62.549 63.100 0.031 0.000 0.758 288 P CB -0.183 31.541 31.700 0.041 0.000 0.773 289 P HA -0.168 nan 4.420 nan 0.000 0.218 289 P C 1.219 178.527 177.300 0.014 0.000 1.149 289 P CA 1.384 64.492 63.100 0.013 0.000 0.817 289 P CB -0.079 31.625 31.700 0.008 0.000 0.785 290 E N -0.598 119.614 120.200 0.020 0.000 2.481 290 E HA 0.018 4.370 4.350 0.004 0.000 0.195 290 E C 1.297 177.915 176.600 0.030 0.000 1.047 290 E CA 0.780 57.191 56.400 0.019 0.000 0.867 290 E CB -0.717 28.994 29.700 0.019 0.000 0.858 290 E HN 0.115 nan 8.360 nan 0.000 0.513 291 S N 0.756 116.482 115.700 0.043 0.000 2.348 291 S HA -0.036 4.436 4.470 0.004 0.000 0.219 291 S C 2.102 176.732 174.600 0.050 0.000 1.033 291 S CA 1.050 59.287 58.200 0.063 0.000 0.974 291 S CB -0.137 63.112 63.200 0.081 0.000 0.868 291 S HN 0.217 nan 8.310 nan 0.000 0.459 292 V N 2.461 122.397 119.914 0.037 0.000 2.594 292 V HA -0.124 3.998 4.120 0.004 0.000 0.253 292 V C 2.545 178.641 176.094 0.004 0.000 1.069 292 V CA 1.384 63.698 62.300 0.024 0.000 1.082 292 V CB -1.481 30.350 31.823 0.013 0.000 0.680 292 V HN 0.490 nan 8.190 nan 0.000 0.469 293 A N 0.199 123.020 122.820 0.001 0.000 1.902 293 A HA -0.209 4.113 4.320 0.004 0.000 0.217 293 A C 2.338 179.907 177.584 -0.024 0.000 1.181 293 A CA 1.856 53.885 52.037 -0.013 0.000 0.623 293 A CB -0.396 18.598 19.000 -0.009 0.000 0.818 293 A HN 0.530 nan 8.150 nan 0.000 0.443 294 K N -0.706 119.684 120.400 -0.016 0.000 2.296 294 K HA 0.060 4.383 4.320 0.004 0.000 0.200 294 K C 1.615 178.173 176.600 -0.069 0.000 1.048 294 K CA 0.758 57.021 56.287 -0.041 0.000 0.966 294 K CB -0.115 32.377 32.500 -0.014 0.000 0.754 294 K HN 0.279 nan 8.250 nan 0.000 0.466 295 V N 1.149 121.048 119.914 -0.026 0.000 2.809 295 V HA -0.165 3.958 4.120 0.004 0.000 0.256 295 V C 2.044 178.094 176.094 -0.073 0.000 1.080 295 V CA 1.566 63.858 62.300 -0.013 0.000 1.102 295 V CB -0.201 31.666 31.823 0.073 0.000 0.705 295 V HN 0.304 nan 8.190 nan 0.000 0.475 296 A N 0.295 123.070 122.820 -0.075 0.000 1.902 296 A HA -0.179 4.144 4.320 0.004 0.000 0.217 296 A C 2.476 179.982 177.584 -0.130 0.000 1.181 296 A CA 2.219 54.205 52.037 -0.085 0.000 0.623 296 A CB -0.725 18.234 19.000 -0.067 0.000 0.818 296 A HN 0.737 nan 8.150 nan 0.000 0.443 297 S N -0.058 115.544 115.700 -0.162 0.000 2.453 297 S HA -0.056 4.416 4.470 0.004 0.000 0.231 297 S C 1.534 175.973 174.600 -0.269 0.000 1.005 297 S CA 1.205 59.291 58.200 -0.190 0.000 0.949 297 S CB -0.757 62.336 63.200 -0.179 0.000 0.774 297 S HN 0.877 nan 8.310 nan 0.000 0.510 298 V N 0.417 120.100 119.914 -0.385 0.000 3.471 298 V HA 0.068 4.191 4.120 0.004 0.000 0.258 298 V C 2.325 178.126 176.094 -0.489 0.000 1.192 298 V CA 0.605 62.574 62.300 -0.552 0.000 1.116 298 V CB -1.120 30.133 31.823 -0.950 0.000 0.792 298 V HN 0.623 nan 8.190 nan 0.000 0.459 299 Q N 0.052 119.643 119.800 -0.349 0.000 2.331 299 Q HA -0.047 4.296 4.340 0.004 0.000 0.203 299 Q C 1.962 177.893 176.000 -0.115 0.000 0.944 299 Q CA 0.745 56.434 55.803 -0.189 0.000 0.892 299 Q CB -0.338 28.365 28.738 -0.058 0.000 0.983 299 Q HN 0.597 nan 8.270 nan 0.000 0.482 300 Q N 1.613 121.336 119.800 -0.128 0.000 1.967 300 Q HA -0.122 4.220 4.340 0.004 0.000 0.202 300 Q C 1.533 177.482 176.000 -0.086 0.000 0.985 300 Q CA 1.426 57.173 55.803 -0.093 0.000 0.839 300 Q CB -0.311 28.369 28.738 -0.096 0.000 0.906 300 Q HN 0.207 nan 8.270 nan 0.000 0.423 301 K N 0.685 121.021 120.400 -0.108 0.000 2.525 301 K HA 0.055 4.377 4.320 0.004 0.000 0.192 301 K C 1.740 178.292 176.600 -0.081 0.000 1.029 301 K CA 0.562 56.792 56.287 -0.095 0.000 1.029 301 K CB -0.631 31.805 32.500 -0.107 0.000 0.814 301 K HN 0.374 nan 8.250 nan 0.000 0.503 302 G N 0.639 109.392 108.800 -0.079 0.000 2.480 302 G HA2 -0.287 3.676 3.960 0.004 0.000 0.216 302 G HA3 -0.287 3.676 3.960 0.004 0.000 0.216 302 G C 1.535 176.443 174.900 0.015 0.000 1.200 302 G CA 0.528 45.611 45.100 -0.028 0.000 0.782 302 G HN 0.271 nan 8.290 nan 0.000 0.554 303 R N 0.071 120.576 120.500 0.009 0.000 2.081 303 R HA -0.037 4.305 4.340 0.004 0.000 0.235 303 R C 2.518 178.818 176.300 -0.000 0.000 1.131 303 R CA 1.267 57.377 56.100 0.017 0.000 0.960 303 R CB -0.290 30.017 30.300 0.012 0.000 0.856 303 R HN 0.500 nan 8.270 nan 0.000 0.436 304 E N 0.355 120.539 120.200 -0.026 0.000 2.204 304 E HA -0.158 4.195 4.350 0.004 0.000 0.195 304 E C 1.740 178.291 176.600 -0.082 0.000 0.990 304 E CA 1.355 57.727 56.400 -0.048 0.000 0.821 304 E CB 0.143 29.808 29.700 -0.058 0.000 0.750 304 E HN 0.336 nan 8.360 nan 0.000 0.477 305 S N -0.083 115.561 115.700 -0.093 0.000 2.406 305 S HA -0.120 4.352 4.470 0.004 0.000 0.228 305 S C 1.909 176.391 174.600 -0.196 0.000 1.020 305 S CA 0.382 58.453 58.200 -0.214 0.000 0.965 305 S CB -0.190 62.918 63.200 -0.153 0.000 0.798 305 S HN 0.142 nan 8.310 nan 0.000 0.488 306 L N 1.988 123.225 121.223 0.022 0.000 2.083 306 L HA 0.032 4.374 4.340 0.004 0.000 0.209 306 L C 2.696 179.615 176.870 0.082 0.000 1.083 306 L CA 1.700 56.620 54.840 0.135 0.000 0.752 306 L CB -0.926 41.199 42.059 0.109 0.000 0.899 306 L HN 0.391 nan 8.230 nan 0.000 0.433 307 E N -0.686 119.520 120.200 0.010 0.000 2.072 307 E HA -0.193 4.160 4.350 0.004 0.000 0.191 307 E C 2.309 178.892 176.600 -0.028 0.000 0.985 307 E CA 1.143 57.542 56.400 -0.002 0.000 0.801 307 E CB -0.117 29.572 29.700 -0.018 0.000 0.750 307 E HN 0.451 nan 8.360 nan 0.000 0.452 308 I N 0.306 120.812 120.570 -0.106 0.000 2.226 308 I HA -0.289 3.883 4.170 0.004 0.000 0.245 308 I C 2.008 178.064 176.117 -0.101 0.000 1.100 308 I CA 1.097 62.303 61.300 -0.157 0.000 1.374 308 I CB -0.299 37.534 38.000 -0.278 0.000 1.057 308 I HN 0.131 nan 8.210 nan 0.000 0.413 309 Y N 0.873 121.173 120.300 -0.000 0.000 2.181 309 Y HA -0.182 4.371 4.550 0.005 0.000 0.288 309 Y C 2.664 178.562 175.900 -0.003 0.000 1.146 309 Y CA 0.915 59.017 58.100 0.004 0.000 1.164 309 Y CB -1.121 37.350 38.460 0.018 0.000 0.982 309 Y HN 0.114 nan 8.280 nan 0.000 0.515 310 A N 0.188 123.101 122.820 0.156 0.000 1.930 310 A HA -0.170 4.152 4.320 0.004 0.000 0.217 310 A C 2.097 179.699 177.584 0.029 0.000 1.175 310 A CA 1.712 53.798 52.037 0.083 0.000 0.627 310 A CB -0.594 18.446 19.000 0.067 0.000 0.815 310 A HN 0.402 nan 8.150 nan 0.000 0.443 311 N N 0.360 119.065 118.700 0.009 0.000 2.244 311 N HA -0.039 4.704 4.740 0.004 0.000 0.183 311 N C 1.621 177.096 175.510 -0.058 0.000 1.016 311 N CA 1.378 54.413 53.050 -0.025 0.000 0.866 311 N CB -0.388 38.081 38.487 -0.029 0.000 0.980 311 N HN 0.464 nan 8.380 nan 0.000 0.430 312 A N -0.066 122.728 122.820 -0.043 0.000 2.218 312 A HA 0.368 4.691 4.320 0.004 0.000 0.209 312 A C 1.289 178.742 177.584 -0.219 0.000 1.168 312 A CA 0.718 52.696 52.037 -0.098 0.000 0.804 312 A CB -0.349 18.652 19.000 0.002 0.000 0.834 312 A HN 0.273 nan 8.150 nan 0.000 0.482 313 G N -0.515 108.220 108.800 -0.108 0.000 2.272 313 G HA2 -0.150 3.812 3.960 0.004 0.000 0.280 313 G HA3 -0.150 3.812 3.960 0.004 0.000 0.280 313 G C -0.062 174.877 174.900 0.065 0.000 1.067 313 G CA 0.151 45.207 45.100 -0.074 0.000 0.902 313 G HN 0.874 nan 8.290 nan 0.000 0.500 314 V N -0.148 119.816 119.914 0.084 0.000 2.432 314 V HA 0.384 4.506 4.120 0.004 0.000 0.275 314 V C 0.885 176.990 176.094 0.018 0.000 1.043 314 V CA -0.838 61.499 62.300 0.061 0.000 0.925 314 V CB 1.399 33.267 31.823 0.076 0.000 0.985 314 V HN 0.387 nan 8.190 nan 0.000 0.466 315 K N 4.772 125.164 120.400 -0.012 0.000 2.451 315 K HA 0.339 4.661 4.320 0.004 0.000 0.280 315 K C -0.331 176.320 176.600 0.084 0.000 1.020 315 K CA 0.630 56.959 56.287 0.069 0.000 1.008 315 K CB 0.312 32.902 32.500 0.149 0.000 0.917 315 K HN 0.602 nan 8.250 nan 0.000 0.478 316 M N 2.013 121.659 119.600 0.078 0.000 2.243 316 M HA 0.330 4.813 4.480 0.004 0.000 0.324 316 M C 0.317 176.656 176.300 0.065 0.000 1.031 316 M CA -0.600 54.716 55.300 0.026 0.000 0.949 316 M CB 2.163 34.771 32.600 0.013 0.000 1.615 316 M HN 0.735 nan 8.290 nan 0.000 0.430 317 G N 1.559 110.381 108.800 0.037 0.000 2.488 317 G HA2 0.561 4.523 3.960 0.004 0.000 0.318 317 G HA3 0.561 4.523 3.960 0.004 0.000 0.318 317 G C -1.579 173.361 174.900 0.066 0.000 1.188 317 G CA -0.460 44.670 45.100 0.050 0.000 0.944 317 G HN 0.605 nan 8.290 nan 0.000 0.495 318 F N 0.879 120.804 119.950 -0.042 0.000 2.420 318 F HA 0.591 5.120 4.527 0.004 0.000 0.352 318 F C 0.537 176.300 175.800 -0.063 0.000 1.108 318 F CA -0.090 57.861 58.000 -0.082 0.000 1.162 318 F CB 1.149 40.092 39.000 -0.096 0.000 1.118 318 F HN 0.529 nan 8.300 nan 0.000 0.510 319 G N 2.989 111.457 108.800 -0.553 0.000 2.701 319 G HA2 0.418 4.381 3.960 0.004 0.000 0.300 319 G HA3 0.418 4.381 3.960 0.004 0.000 0.300 319 G C -0.537 174.073 174.900 -0.483 0.000 1.410 319 G CA -0.168 44.724 45.100 -0.348 0.000 1.014 319 G HN 0.749 nan 8.290 nan 0.000 0.509 320 S N 0.851 116.397 115.700 -0.256 0.000 2.620 320 S HA 0.166 4.638 4.470 0.004 0.000 0.234 320 S C 0.875 175.431 174.600 -0.073 0.000 1.064 320 S CA 1.039 59.129 58.200 -0.183 0.000 0.920 320 S CB -0.008 63.143 63.200 -0.082 0.000 0.826 320 S HN 0.847 nan 8.310 nan 0.000 0.557 321 D N 0.700 121.141 120.400 0.069 0.000 2.772 321 D HA -0.124 4.518 4.640 0.004 0.000 0.233 321 D C -0.851 175.507 176.300 0.097 0.000 1.143 321 D CA 0.336 54.465 54.000 0.214 0.000 0.700 321 D CB -2.004 38.906 40.800 0.184 0.000 1.076 321 D HN 0.535 nan 8.370 nan 0.000 0.430 322 L N -0.110 121.127 121.223 0.023 0.000 2.375 322 L HA 0.515 4.858 4.340 0.004 0.000 0.271 322 L C 0.695 177.323 176.870 -0.403 0.000 1.107 322 L CA -0.721 54.031 54.840 -0.146 0.000 0.806 322 L CB 1.029 43.016 42.059 -0.119 0.000 1.146 322 L HN 0.015 nan 8.230 nan 0.000 0.447 323 L N 1.741 122.766 121.223 -0.331 0.000 2.334 323 L HA 0.719 5.062 4.340 0.004 0.000 0.276 323 L C 0.894 177.584 176.870 -0.301 0.000 1.014 323 L CA -0.454 54.206 54.840 -0.299 0.000 0.815 323 L CB 1.459 43.450 42.059 -0.113 0.000 1.268 323 L HN 0.863 nan 8.230 nan 0.000 0.428 324 G N 2.046 110.736 108.800 -0.183 0.000 2.583 324 G HA2 -0.305 3.657 3.960 0.004 0.000 0.292 324 G HA3 -0.305 3.657 3.960 0.004 0.000 0.292 324 G C 0.708 175.550 174.900 -0.098 0.000 1.203 324 G CA 0.455 45.505 45.100 -0.084 0.000 0.987 324 G HN 0.847 nan 8.290 nan 0.000 0.554 325 E N 0.723 120.760 120.200 -0.273 0.000 2.482 325 E HA 0.070 4.422 4.350 0.004 0.000 0.196 325 E C 2.436 178.894 176.600 -0.237 0.000 1.047 325 E CA 1.099 57.295 56.400 -0.340 0.000 0.869 325 E CB -0.149 29.155 29.700 -0.661 0.000 0.836 325 E HN 0.676 nan 8.360 nan 0.000 0.520 326 M N 0.437 119.971 119.600 -0.111 0.000 2.686 326 M HA 0.020 4.503 4.480 0.004 0.000 0.246 326 M C 1.214 177.597 176.300 0.137 0.000 1.096 326 M CA 0.597 56.012 55.300 0.191 0.000 1.076 326 M CB -0.402 32.337 32.600 0.233 0.000 1.504 326 M HN 0.163 nan 8.290 nan 0.000 0.524 327 H N -0.070 119.016 119.070 0.026 0.000 2.456 327 H HA -0.042 4.516 4.556 0.004 0.000 0.296 327 H C 2.101 177.402 175.328 -0.045 0.000 1.079 327 H CA 1.136 57.187 56.048 0.005 0.000 1.322 327 H CB 0.156 29.901 29.762 -0.029 0.000 1.388 327 H HN 0.469 nan 8.280 nan 0.000 0.538 328 A N 0.117 122.886 122.820 -0.085 0.000 2.225 328 A HA -0.130 4.192 4.320 0.004 0.000 0.215 328 A C 1.015 178.371 177.584 -0.381 0.000 1.164 328 A CA 0.981 52.837 52.037 -0.301 0.000 0.710 328 A CB -0.615 18.074 19.000 -0.518 0.000 0.780 328 A HN 0.397 nan 8.150 nan 0.000 0.473 329 F N -1.201 118.805 119.950 0.093 0.000 2.639 329 F HA 0.172 4.701 4.527 0.004 0.000 0.302 329 F C 1.929 177.807 175.800 0.131 0.000 1.097 329 F CA 0.014 58.078 58.000 0.107 0.000 1.294 329 F CB 0.050 39.106 39.000 0.094 0.000 1.027 329 F HN 0.257 nan 8.300 nan 0.000 0.550 330 Q N 0.468 120.422 119.800 0.258 0.000 2.152 330 Q HA -0.195 4.147 4.340 0.004 0.000 0.206 330 Q C 1.968 178.194 176.000 0.377 0.000 0.985 330 Q CA 2.100 58.045 55.803 0.237 0.000 0.863 330 Q CB 0.004 28.827 28.738 0.142 0.000 0.904 330 Q HN 0.346 nan 8.270 nan 0.000 0.422 331 S N -0.343 115.622 115.700 0.442 0.000 2.423 331 S HA -0.081 4.391 4.470 0.004 0.000 0.231 331 S C 1.755 176.655 174.600 0.500 0.000 1.014 331 S CA 0.787 59.323 58.200 0.560 0.000 0.965 331 S CB -0.346 63.085 63.200 0.385 0.000 0.785 331 S HN 0.657 nan 8.310 nan 0.000 0.495 332 G N 1.458 110.470 108.800 0.353 0.000 2.479 332 G HA2 -0.266 3.697 3.960 0.004 0.000 0.220 332 G HA3 -0.266 3.697 3.960 0.004 0.000 0.220 332 G C 1.229 176.255 174.900 0.209 0.000 1.115 332 G CA 1.144 46.406 45.100 0.269 0.000 0.757 332 G HN 0.537 nan 8.290 nan 0.000 0.560 333 E N 0.061 120.357 120.200 0.159 0.000 2.153 333 E HA -0.076 4.276 4.350 0.004 0.000 0.194 333 E C 1.909 178.564 176.600 0.092 0.000 0.988 333 E CA 0.673 57.053 56.400 -0.033 0.000 0.811 333 E CB -0.380 29.041 29.700 -0.465 0.000 0.746 333 E HN 0.442 nan 8.360 nan 0.000 0.466 334 F N 0.569 120.720 119.950 0.335 0.000 2.102 334 F HA -0.069 4.460 4.527 0.003 0.000 0.298 334 F C 2.604 178.483 175.800 0.131 0.000 1.105 334 F CA 1.629 59.783 58.000 0.257 0.000 1.239 334 F CB -0.456 38.608 39.000 0.107 0.000 0.991 334 F HN 0.016 nan 8.300 nan 0.000 0.474 335 R N 0.693 121.383 120.500 0.317 0.000 2.083 335 R HA -0.181 4.162 4.340 0.004 0.000 0.237 335 R C 2.298 178.682 176.300 0.140 0.000 1.137 335 R CA 1.860 58.073 56.100 0.189 0.000 0.951 335 R CB -0.663 29.732 30.300 0.158 0.000 0.851 335 R HN 0.284 nan 8.270 nan 0.000 0.434 336 I N 0.297 120.941 120.570 0.123 0.000 2.151 336 I HA -0.337 3.836 4.170 0.004 0.000 0.243 336 I C 2.599 178.765 176.117 0.081 0.000 1.080 336 I CA 1.594 62.943 61.300 0.082 0.000 1.339 336 I CB -0.285 37.748 38.000 0.055 0.000 1.039 336 I HN 0.232 nan 8.210 nan 0.000 0.409 337 R N 0.381 120.939 120.500 0.096 0.000 2.090 337 R HA -0.041 4.302 4.340 0.004 0.000 0.228 337 R C 2.400 178.766 176.300 0.109 0.000 1.110 337 R CA 1.255 57.413 56.100 0.096 0.000 0.973 337 R CB -0.308 30.055 30.300 0.104 0.000 0.869 337 R HN 0.363 nan 8.270 nan 0.000 0.440 338 A N 1.102 124.002 122.820 0.132 0.000 1.968 338 A HA -0.139 4.184 4.320 0.004 0.000 0.217 338 A C 1.809 179.441 177.584 0.081 0.000 1.169 338 A CA 1.002 53.105 52.037 0.111 0.000 0.638 338 A CB -0.208 18.864 19.000 0.120 0.000 0.812 338 A HN 0.272 nan 8.150 nan 0.000 0.446 339 E N -0.411 119.835 120.200 0.077 0.000 2.097 339 E HA -0.159 4.194 4.350 0.004 0.000 0.196 339 E C 1.837 178.467 176.600 0.050 0.000 1.000 339 E CA 1.676 58.111 56.400 0.058 0.000 0.804 339 E CB -0.122 29.612 29.700 0.056 0.000 0.740 339 E HN 0.479 nan 8.360 nan 0.000 0.454 340 V N 0.116 120.063 119.914 0.055 0.000 2.575 340 V HA -0.066 4.057 4.120 0.004 0.000 0.242 340 V C 1.900 178.023 176.094 0.049 0.000 1.045 340 V CA 0.915 63.243 62.300 0.047 0.000 1.065 340 V CB 0.010 31.861 31.823 0.047 0.000 0.717 340 V HN 0.194 nan 8.190 nan 0.000 0.467 341 L N -0.239 121.021 121.223 0.061 0.000 2.609 341 L HA 0.610 4.952 4.340 0.004 0.000 0.230 341 L C 0.969 177.875 176.870 0.060 0.000 1.087 341 L CA 0.684 55.561 54.840 0.062 0.000 0.874 341 L CB 0.300 42.404 42.059 0.075 0.000 1.114 341 L HN 0.500 nan 8.230 nan 0.000 0.488 342 G N 0.540 109.379 108.800 0.064 0.000 2.697 342 G HA2 -0.212 3.751 3.960 0.004 0.000 0.686 342 G HA3 -0.212 3.751 3.960 0.004 0.000 0.686 342 G C -0.206 174.736 174.900 0.070 0.000 1.179 342 G CA -0.385 44.750 45.100 0.058 0.000 0.765 342 G HN 0.042 nan 8.290 nan 0.000 0.649 343 N N -0.166 118.570 118.700 0.061 0.000 2.137 343 N HA -0.124 4.618 4.740 0.004 0.000 0.190 343 N C 2.422 177.973 175.510 0.068 0.000 1.017 343 N CA 1.395 54.483 53.050 0.064 0.000 0.859 343 N CB -0.129 38.380 38.487 0.037 0.000 1.002 343 N HN 0.557 nan 8.380 nan 0.000 0.428 344 L N 0.625 121.881 121.223 0.055 0.000 2.017 344 L HA -0.171 4.171 4.340 0.004 0.000 0.208 344 L C 2.016 178.930 176.870 0.075 0.000 1.073 344 L CA 1.699 56.571 54.840 0.054 0.000 0.745 344 L CB -0.227 41.856 42.059 0.041 0.000 0.894 344 L HN 0.115 nan 8.230 nan 0.000 0.432 345 E N -0.033 120.215 120.200 0.080 0.000 2.150 345 E HA -0.129 4.224 4.350 0.004 0.000 0.193 345 E C 1.963 178.638 176.600 0.126 0.000 0.985 345 E CA 1.300 57.756 56.400 0.092 0.000 0.814 345 E CB -0.062 29.687 29.700 0.081 0.000 0.752 345 E HN 0.512 nan 8.360 nan 0.000 0.466 346 A N -0.165 122.744 122.820 0.149 0.000 2.066 346 A HA -0.027 4.296 4.320 0.004 0.000 0.218 346 A C 2.072 179.834 177.584 0.297 0.000 1.157 346 A CA 0.671 52.843 52.037 0.226 0.000 0.670 346 A CB -0.346 18.805 19.000 0.253 0.000 0.804 346 A HN 0.285 nan 8.150 nan 0.000 0.453 347 L N -1.313 120.033 121.223 0.205 0.000 2.131 347 L HA -0.044 4.299 4.340 0.004 0.000 0.206 347 L C 2.709 179.679 176.870 0.167 0.000 1.087 347 L CA 0.653 55.601 54.840 0.181 0.000 0.767 347 L CB -0.360 41.751 42.059 0.086 0.000 0.917 347 L HN 0.317 nan 8.230 nan 0.000 0.441 348 R N -0.528 120.052 120.500 0.134 0.000 2.152 348 R HA -0.107 4.236 4.340 0.004 0.000 0.232 348 R C 2.438 178.814 176.300 0.128 0.000 1.117 348 R CA 1.154 57.322 56.100 0.113 0.000 0.981 348 R CB -0.294 30.062 30.300 0.093 0.000 0.870 348 R HN 0.276 nan 8.270 nan 0.000 0.451 349 S N 0.813 116.610 115.700 0.161 0.000 2.368 349 S HA -0.199 4.273 4.470 0.004 0.000 0.226 349 S C 1.851 176.566 174.600 0.191 0.000 1.044 349 S CA 1.770 60.084 58.200 0.191 0.000 1.062 349 S CB -0.093 63.273 63.200 0.276 0.000 0.931 349 S HN 0.520 nan 8.310 nan 0.000 0.440 350 A N 0.221 123.125 122.820 0.139 0.000 2.275 350 A HA 0.229 4.552 4.320 0.004 0.000 0.212 350 A C 1.783 179.455 177.584 0.148 0.000 1.201 350 A CA 1.065 53.149 52.037 0.079 0.000 0.843 350 A CB -0.268 18.651 19.000 -0.134 0.000 0.873 350 A HN 0.624 nan 8.150 nan 0.000 0.492 351 T N -4.222 110.409 114.554 0.130 0.000 3.409 351 T HA 0.016 4.369 4.350 0.004 0.000 0.188 351 T C 1.908 176.645 174.700 0.062 0.000 0.929 351 T CA 1.254 63.414 62.100 0.100 0.000 1.184 351 T CB -0.936 67.992 68.868 0.100 0.000 1.570 351 T HN 0.253 nan 8.240 nan 0.000 0.367 352 T N 1.123 115.712 114.554 0.059 0.000 2.777 352 T HA -0.000 4.352 4.350 0.004 0.000 0.266 352 T C 2.083 176.804 174.700 0.034 0.000 1.040 352 T CA 1.282 63.407 62.100 0.042 0.000 1.141 352 T CB -1.067 67.828 68.868 0.046 0.000 0.868 352 T HN 0.192 nan 8.240 nan 0.000 0.444 353 V N 2.248 122.192 119.914 0.051 0.000 2.323 353 V HA 0.011 4.133 4.120 0.004 0.000 0.244 353 V C 3.263 179.324 176.094 -0.055 0.000 1.041 353 V CA 1.432 63.761 62.300 0.047 0.000 1.025 353 V CB -1.437 30.445 31.823 0.099 0.000 0.656 353 V HN 0.643 nan 8.190 nan 0.000 0.451 354 A N 0.274 123.077 122.820 -0.028 0.000 1.908 354 A HA -0.182 4.141 4.320 0.004 0.000 0.218 354 A C 2.413 179.910 177.584 -0.144 0.000 1.181 354 A CA 2.275 54.267 52.037 -0.074 0.000 0.627 354 A CB -0.824 18.196 19.000 0.032 0.000 0.818 354 A HN 0.586 nan 8.150 nan 0.000 0.445 355 A N -0.712 122.055 122.820 -0.088 0.000 1.933 355 A HA -0.175 4.147 4.320 0.004 0.000 0.218 355 A C 2.025 179.514 177.584 -0.159 0.000 1.175 355 A CA 1.720 53.698 52.037 -0.099 0.000 0.628 355 A CB -0.475 18.506 19.000 -0.031 0.000 0.814 355 A HN 0.668 nan 8.150 nan 0.000 0.444 356 E N -0.257 119.841 120.200 -0.169 0.000 2.150 356 E HA -0.132 4.220 4.350 0.004 0.000 0.193 356 E C 1.835 178.155 176.600 -0.467 0.000 0.985 356 E CA 0.915 57.191 56.400 -0.206 0.000 0.814 356 E CB -0.170 29.486 29.700 -0.073 0.000 0.752 356 E HN 0.697 nan 8.360 nan 0.000 0.466 357 I N 0.857 121.020 120.570 -0.679 0.000 2.179 357 I HA -0.224 3.948 4.170 0.004 0.000 0.242 357 I C 2.248 178.006 176.117 -0.598 0.000 1.088 357 I CA 1.021 61.789 61.300 -0.888 0.000 1.357 357 I CB -0.132 37.447 38.000 -0.702 0.000 1.051 357 I HN 0.114 nan 8.210 nan 0.000 0.409 358 V N -1.728 117.917 119.914 -0.447 0.000 3.630 358 V HA 0.145 4.267 4.120 0.004 0.000 0.273 358 V C 0.407 176.326 176.094 -0.293 0.000 1.248 358 V CA 0.404 62.422 62.300 -0.470 0.000 1.170 358 V CB -1.640 29.598 31.823 -0.975 0.000 0.899 358 V HN 0.643 nan 8.190 nan 0.000 0.457 359 N N 0.137 118.694 118.700 -0.239 0.000 2.747 359 N HA -0.155 4.588 4.740 0.004 0.000 0.249 359 N C 0.264 175.742 175.510 -0.053 0.000 1.107 359 N CA 1.034 54.014 53.050 -0.117 0.000 0.707 359 N CB -0.727 37.733 38.487 -0.043 0.000 1.054 359 N HN 0.465 nan 8.380 nan 0.000 0.555 360 M N 0.552 120.110 119.600 -0.071 0.000 2.869 360 M HA 0.075 4.558 4.480 0.004 0.000 0.353 360 M C 0.035 176.328 176.300 -0.011 0.000 1.224 360 M CA -0.042 55.252 55.300 -0.009 0.000 0.917 360 M CB 0.242 32.856 32.600 0.024 0.000 1.322 360 M HN 0.133 nan 8.290 nan 0.000 0.516 361 Q N 0.519 120.307 119.800 -0.020 0.000 2.255 361 Q HA 0.277 4.620 4.340 0.004 0.000 0.280 361 Q C 0.779 176.783 176.000 0.006 0.000 1.068 361 Q CA 0.938 56.736 55.803 -0.008 0.000 0.911 361 Q CB -0.175 28.561 28.738 -0.003 0.000 1.157 361 Q HN 0.693 nan 8.270 nan 0.000 0.380 362 G N 2.366 111.171 108.800 0.009 0.000 2.160 362 G HA2 -0.354 3.608 3.960 0.004 0.000 0.251 362 G HA3 -0.354 3.608 3.960 0.004 0.000 0.251 362 G C 0.368 175.277 174.900 0.016 0.000 1.008 362 G CA 0.771 45.879 45.100 0.012 0.000 0.724 362 G HN 0.634 nan 8.290 nan 0.000 0.514 363 Q N -1.550 118.262 119.800 0.020 0.000 2.527 363 Q HA 0.593 4.936 4.340 0.004 0.000 0.252 363 Q C 0.982 177.002 176.000 0.034 0.000 0.827 363 Q CA 0.316 56.136 55.803 0.029 0.000 0.979 363 Q CB 0.510 29.273 28.738 0.041 0.000 1.248 363 Q HN 0.542 nan 8.270 nan 0.000 0.578 364 L N -1.380 119.864 121.223 0.035 0.000 2.283 364 L HA 0.631 4.974 4.340 0.004 0.000 0.259 364 L C 0.295 177.179 176.870 0.023 0.000 1.027 364 L CA -0.444 54.419 54.840 0.038 0.000 0.828 364 L CB 2.118 44.220 42.059 0.071 0.000 1.380 364 L HN 0.350 nan 8.230 nan 0.000 0.425 365 G N 0.690 109.505 108.800 0.024 0.000 2.203 365 G HA2 -0.202 3.760 3.960 0.004 0.000 0.263 365 G HA3 -0.202 3.760 3.960 0.004 0.000 0.263 365 G C -0.552 174.357 174.900 0.015 0.000 1.012 365 G CA 0.510 45.625 45.100 0.024 0.000 0.749 365 G HN 0.483 nan 8.290 nan 0.000 0.512 366 V N -0.015 119.902 119.914 0.005 0.000 2.891 366 V HA 0.624 4.747 4.120 0.004 0.000 0.304 366 V C -0.436 175.653 176.094 -0.008 0.000 1.171 366 V CA -1.144 61.157 62.300 0.000 0.000 0.943 366 V CB 1.794 33.620 31.823 0.005 0.000 1.037 366 V HN 0.380 nan 8.190 nan 0.000 0.427 367 I N 6.372 126.933 120.570 -0.015 0.000 2.276 367 I HA 0.743 4.916 4.170 0.004 0.000 0.290 367 I C 0.342 176.452 176.117 -0.012 0.000 1.109 367 I CA 0.206 61.495 61.300 -0.018 0.000 1.229 367 I CB 0.649 38.632 38.000 -0.028 0.000 1.452 367 I HN 0.706 nan 8.210 nan 0.000 0.497 368 A N 4.594 127.411 122.820 -0.004 0.000 2.594 368 A HA 0.714 5.036 4.320 0.004 0.000 0.291 368 A C -0.690 176.897 177.584 0.006 0.000 1.105 368 A CA -0.604 51.434 52.037 0.001 0.000 0.694 368 A CB 1.506 20.508 19.000 0.002 0.000 1.291 368 A HN 0.169 nan 8.150 nan 0.000 0.410 369 V N 1.672 121.592 119.914 0.009 0.000 2.450 369 V HA 0.451 4.574 4.120 0.004 0.000 0.281 369 V C 1.420 177.519 176.094 0.009 0.000 1.019 369 V CA 2.070 64.376 62.300 0.011 0.000 1.062 369 V CB -0.068 31.763 31.823 0.013 0.000 0.979 369 V HN 2.114 nan 8.190 nan 0.000 0.477 370 G N 4.032 112.837 108.800 0.008 0.000 2.391 370 G HA2 -0.071 3.892 3.960 0.004 0.000 0.204 370 G HA3 -0.071 3.892 3.960 0.004 0.000 0.204 370 G C 0.504 175.410 174.900 0.009 0.000 1.012 370 G CA 0.115 45.221 45.100 0.009 0.000 0.651 370 G HN 1.300 nan 8.290 nan 0.000 0.494 371 A N 0.726 123.551 122.820 0.008 0.000 2.386 371 A HA 0.653 4.975 4.320 0.004 0.000 0.246 371 A C 0.773 178.361 177.584 0.007 0.000 1.089 371 A CA 0.180 52.222 52.037 0.009 0.000 0.790 371 A CB 0.071 19.075 19.000 0.006 0.000 1.042 371 A HN 0.824 nan 8.150 nan 0.000 0.497 372 I N 0.434 121.010 120.570 0.011 0.000 2.696 372 I HA 0.168 4.340 4.170 0.004 0.000 0.284 372 I C 1.200 177.315 176.117 -0.003 0.000 1.129 372 I CA 0.154 61.458 61.300 0.008 0.000 1.410 372 I CB 1.095 39.106 38.000 0.018 0.000 1.399 372 I HN 0.672 nan 8.210 nan 0.000 0.579 373 A N 4.338 127.152 122.820 -0.010 0.000 3.033 373 A HA 0.139 4.461 4.320 0.004 0.000 0.250 373 A C -0.293 177.274 177.584 -0.029 0.000 1.633 373 A CA -0.286 51.739 52.037 -0.020 0.000 1.290 373 A CB -1.049 17.938 19.000 -0.021 0.000 1.048 373 A HN 0.629 nan 8.150 nan 0.000 0.648 374 D N 0.865 121.247 120.400 -0.030 0.000 2.468 374 D HA 0.486 5.128 4.640 0.004 0.000 0.218 374 D C -0.348 175.903 176.300 -0.082 0.000 1.155 374 D CA 0.558 54.530 54.000 -0.046 0.000 0.924 374 D CB 0.492 41.277 40.800 -0.025 0.000 1.029 374 D HN 0.370 nan 8.370 nan 0.000 0.515 375 L N 1.393 122.559 121.223 -0.095 0.000 2.341 375 L HA 0.655 4.997 4.340 0.004 0.000 0.267 375 L C -0.572 176.201 176.870 -0.161 0.000 1.009 375 L CA -1.115 53.653 54.840 -0.121 0.000 0.819 375 L CB 2.351 44.361 42.059 -0.081 0.000 1.323 375 L HN -0.059 nan 8.230 nan 0.000 0.425 376 V N 2.321 122.108 119.914 -0.212 0.000 2.638 376 V HA 0.426 4.549 4.120 0.004 0.000 0.306 376 V C -0.607 175.406 176.094 -0.134 0.000 1.052 376 V CA -0.623 61.531 62.300 -0.243 0.000 0.885 376 V CB 2.541 34.037 31.823 -0.545 0.000 0.999 376 V HN 0.367 nan 8.190 nan 0.000 0.424 377 V N 6.339 126.228 119.914 -0.043 0.000 2.347 377 V HA 0.475 4.598 4.120 0.004 0.000 0.280 377 V C -0.582 175.515 176.094 0.006 0.000 1.021 377 V CA -0.539 61.777 62.300 0.026 0.000 0.847 377 V CB 1.457 33.388 31.823 0.181 0.000 0.990 377 V HN 0.482 nan 8.190 nan 0.000 0.444 378 L N 4.026 125.243 121.223 -0.010 0.000 2.329 378 L HA 0.517 4.859 4.340 0.004 0.000 0.279 378 L C -0.084 176.778 176.870 -0.013 0.000 1.014 378 L CA -0.428 54.401 54.840 -0.017 0.000 0.814 378 L CB 1.556 43.602 42.059 -0.021 0.000 1.257 378 L HN 0.629 nan 8.230 nan 0.000 0.424 379 D N 2.560 122.950 120.400 -0.017 0.000 2.483 379 D HA 0.530 5.173 4.640 0.004 0.000 0.220 379 D C 0.263 176.553 176.300 -0.018 0.000 1.173 379 D CA 0.682 54.672 54.000 -0.015 0.000 0.964 379 D CB 0.118 40.907 40.800 -0.019 0.000 1.046 379 D HN 0.758 nan 8.370 nan 0.000 0.517 380 G N 2.373 111.161 108.800 -0.020 0.000 2.347 380 G HA2 -0.003 3.960 3.960 0.004 0.000 0.477 380 G HA3 -0.003 3.960 3.960 0.004 0.000 0.477 380 G C -1.264 173.620 174.900 -0.027 0.000 1.349 380 G CA -1.158 43.929 45.100 -0.022 0.000 1.000 380 G HN 0.433 nan 8.290 nan 0.000 0.605 381 N N 1.100 119.785 118.700 -0.026 0.000 2.476 381 N HA 0.556 5.299 4.740 0.004 0.000 0.257 381 N C -0.865 174.627 175.510 -0.030 0.000 0.970 381 N CA -2.326 50.707 53.050 -0.028 0.000 0.938 381 N CB 2.277 40.750 38.487 -0.023 0.000 1.144 381 N HN 0.152 nan 8.380 nan 0.000 0.500 382 P HA -0.099 nan 4.420 nan 0.000 0.222 382 P C 1.298 178.579 177.300 -0.032 0.000 1.147 382 P CA 0.716 63.783 63.100 -0.056 0.000 0.790 382 P CB 0.607 32.257 31.700 -0.084 0.000 0.780 383 L N -0.443 120.769 121.223 -0.019 0.000 2.141 383 L HA -0.114 4.228 4.340 0.004 0.000 0.209 383 L C 2.614 179.484 176.870 -0.001 0.000 1.094 383 L CA 1.559 56.396 54.840 -0.005 0.000 0.763 383 L CB -0.796 41.261 42.059 -0.004 0.000 0.908 383 L HN -0.101 nan 8.230 nan 0.000 0.437 384 E N -0.686 119.510 120.200 -0.005 0.000 2.038 384 E HA -0.028 4.325 4.350 0.004 0.000 0.190 384 E C 0.291 176.891 176.600 0.001 0.000 0.967 384 E CA 0.667 57.066 56.400 -0.001 0.000 0.816 384 E CB -0.139 29.559 29.700 -0.003 0.000 0.784 384 E HN 0.246 nan 8.360 nan 0.000 0.456 385 D N -0.039 120.357 120.400 -0.006 0.000 2.471 385 D HA 0.125 4.768 4.640 0.004 0.000 0.245 385 D C 0.323 176.613 176.300 -0.017 0.000 1.116 385 D CA -0.387 53.611 54.000 -0.004 0.000 0.853 385 D CB 0.954 41.752 40.800 -0.003 0.000 1.123 385 D HN -0.180 nan 8.370 nan 0.000 0.540 386 I N 3.510 124.076 120.570 -0.006 0.000 2.916 386 I HA 0.110 4.282 4.170 0.004 0.000 0.267 386 I C 1.981 178.077 176.117 -0.035 0.000 1.263 386 I CA 0.975 62.262 61.300 -0.021 0.000 1.471 386 I CB -0.317 37.702 38.000 0.032 0.000 1.089 386 I HN 0.635 nan 8.210 nan 0.000 0.468 387 G N -0.138 108.656 108.800 -0.010 0.000 2.471 387 G HA2 -0.185 3.778 3.960 0.004 0.000 0.219 387 G HA3 -0.185 3.778 3.960 0.004 0.000 0.219 387 G C 1.670 176.554 174.900 -0.027 0.000 1.125 387 G CA 0.980 46.080 45.100 -0.001 0.000 0.775 387 G HN 0.461 nan 8.290 nan 0.000 0.548 388 V N -1.663 118.221 119.914 -0.050 0.000 3.078 388 V HA 0.057 4.180 4.120 0.004 0.000 0.265 388 V C 2.000 178.040 176.094 -0.090 0.000 1.122 388 V CA 1.550 63.819 62.300 -0.053 0.000 1.141 388 V CB -0.003 31.792 31.823 -0.045 0.000 0.735 388 V HN 0.124 nan 8.190 nan 0.000 0.498 389 V N -0.301 119.503 119.914 -0.183 0.000 3.484 389 V HA 0.500 4.622 4.120 0.004 0.000 0.252 389 V C 2.149 178.045 176.094 -0.330 0.000 1.282 389 V CA 0.827 62.889 62.300 -0.396 0.000 1.104 389 V CB 0.511 31.857 31.823 -0.794 0.000 0.868 389 V HN 0.538 nan 8.190 nan 0.000 0.457 390 A N -0.516 122.230 122.820 -0.123 0.000 2.577 390 A HA 0.286 4.608 4.320 0.004 0.000 0.280 390 A C 0.538 178.187 177.584 0.109 0.000 1.331 390 A CA 0.279 52.367 52.037 0.085 0.000 0.935 390 A CB -0.310 18.789 19.000 0.165 0.000 1.082 390 A HN 0.346 nan 8.150 nan 0.000 0.525 391 D N 0.354 120.795 120.400 0.067 0.000 2.892 391 D HA 0.158 4.800 4.640 0.004 0.000 0.291 391 D C 0.265 176.612 176.300 0.079 0.000 1.341 391 D CA -0.096 53.949 54.000 0.075 0.000 0.844 391 D CB -0.487 40.340 40.800 0.045 0.000 1.093 391 D HN 0.409 nan 8.370 nan 0.000 0.480 392 E N 0.089 120.358 120.200 0.115 0.000 2.360 392 E HA -0.247 4.106 4.350 0.004 0.000 0.238 392 E C 0.684 177.337 176.600 0.089 0.000 1.186 392 E CA 0.587 57.054 56.400 0.111 0.000 0.719 392 E CB -1.207 28.533 29.700 0.066 0.000 1.236 392 E HN 0.655 nan 8.360 nan 0.000 0.386 393 G N -1.745 107.109 108.800 0.091 0.000 2.221 393 G HA2 -0.295 3.667 3.960 0.004 0.000 0.265 393 G HA3 -0.295 3.667 3.960 0.004 0.000 0.265 393 G C 0.781 175.697 174.900 0.027 0.000 1.041 393 G CA 0.851 45.991 45.100 0.066 0.000 0.807 393 G HN 0.828 nan 8.290 nan 0.000 0.502 394 A N -0.243 122.589 122.820 0.021 0.000 1.897 394 A HA 0.182 4.505 4.320 0.004 0.000 0.215 394 A C 2.031 179.608 177.584 -0.011 0.000 1.181 394 A CA 1.667 53.707 52.037 0.005 0.000 0.620 394 A CB -0.060 18.947 19.000 0.011 0.000 0.821 394 A HN 0.480 nan 8.150 nan 0.000 0.443 395 R N -0.881 119.612 120.500 -0.011 0.000 2.831 395 R HA 0.309 4.651 4.340 0.004 0.000 0.337 395 R C -0.802 175.481 176.300 -0.029 0.000 1.200 395 R CA -0.040 56.047 56.100 -0.022 0.000 1.088 395 R CB 0.729 31.017 30.300 -0.019 0.000 1.397 395 R HN 0.212 nan 8.270 nan 0.000 0.581 396 V N 1.792 121.685 119.914 -0.034 0.000 2.350 396 V HA 0.160 4.282 4.120 0.004 0.000 0.285 396 V C 0.636 176.668 176.094 -0.102 0.000 1.014 396 V CA -0.441 61.829 62.300 -0.050 0.000 0.831 396 V CB 1.308 33.114 31.823 -0.028 0.000 1.000 396 V HN 0.356 nan 8.190 nan 0.000 0.433 397 E N 5.831 125.938 120.200 -0.156 0.000 2.127 397 E HA 0.033 4.386 4.350 0.004 0.000 0.191 397 E C -0.570 175.722 176.600 -0.514 0.000 0.964 397 E CA 0.589 56.767 56.400 -0.369 0.000 0.832 397 E CB 0.209 29.607 29.700 -0.502 0.000 0.790 397 E HN 0.678 nan 8.360 nan 0.000 0.465 398 Y N 0.744 121.015 120.300 -0.049 0.000 2.376 398 Y HA 0.457 5.010 4.550 0.004 0.000 0.340 398 Y C -0.339 175.513 175.900 -0.080 0.000 0.965 398 Y CA -1.114 56.953 58.100 -0.054 0.000 1.078 398 Y CB 2.380 40.812 38.460 -0.048 0.000 1.193 398 Y HN -0.273 nan 8.280 nan 0.000 0.452 399 V N 5.303 125.258 119.914 0.068 0.000 2.409 399 V HA 0.453 4.575 4.120 0.004 0.000 0.291 399 V C -0.680 175.416 176.094 0.003 0.000 1.020 399 V CA -0.728 61.565 62.300 -0.011 0.000 0.848 399 V CB 1.486 33.284 31.823 -0.041 0.000 0.990 399 V HN 0.526 nan 8.190 nan 0.000 0.430 400 L N 4.215 125.421 121.223 -0.028 0.000 2.329 400 L HA 0.632 4.975 4.340 0.004 0.000 0.279 400 L C -0.200 176.647 176.870 -0.039 0.000 1.014 400 L CA 0.096 54.919 54.840 -0.027 0.000 0.814 400 L CB 1.796 43.834 42.059 -0.035 0.000 1.257 400 L HN 0.676 nan 8.230 nan 0.000 0.424 401 Q N 3.471 123.254 119.800 -0.029 0.000 2.294 401 Q HA 0.407 4.749 4.340 0.004 0.000 0.264 401 Q C -0.671 175.314 176.000 -0.025 0.000 0.992 401 Q CA -0.627 55.159 55.803 -0.027 0.000 0.747 401 Q CB 1.004 29.728 28.738 -0.024 0.000 1.262 401 Q HN 0.522 nan 8.270 nan 0.000 0.452 402 R N 2.520 123.007 120.500 -0.022 0.000 3.416 402 R HA -0.318 4.024 4.340 0.004 0.000 0.263 402 R C 0.678 176.966 176.300 -0.020 0.000 1.053 402 R CA 0.747 56.835 56.100 -0.019 0.000 0.705 402 R CB -2.052 28.235 30.300 -0.022 0.000 1.124 402 R HN 1.149 nan 8.270 nan 0.000 0.444 403 G N -1.383 107.404 108.800 -0.022 0.000 2.527 403 G HA2 -0.368 3.594 3.960 0.004 0.000 0.218 403 G HA3 -0.368 3.594 3.960 0.004 0.000 0.218 403 G C 0.259 175.145 174.900 -0.024 0.000 1.177 403 G CA 0.398 45.484 45.100 -0.023 0.000 0.695 403 G HN 0.595 nan 8.290 nan 0.000 0.517 404 T N 1.382 115.923 114.554 -0.021 0.000 2.907 404 T HA 0.524 4.877 4.350 0.004 0.000 0.298 404 T C 0.213 174.906 174.700 -0.013 0.000 1.017 404 T CA 0.163 62.252 62.100 -0.017 0.000 1.118 404 T CB 0.941 69.799 68.868 -0.017 0.000 0.948 404 T HN 1.143 nan 8.240 nan 0.000 0.531 405 L N 6.557 127.777 121.223 -0.004 0.000 2.281 405 L HA 0.423 4.765 4.340 0.004 0.000 0.285 405 L C 0.572 177.454 176.870 0.020 0.000 1.074 405 L CA 0.205 55.055 54.840 0.016 0.000 0.817 405 L CB 0.878 42.956 42.059 0.032 0.000 1.168 405 L HN 0.618 nan 8.230 nan 0.000 0.434 406 V N 2.544 122.469 119.914 0.018 0.000 3.212 406 V HA 0.329 4.452 4.120 0.004 0.000 0.244 406 V C 0.534 176.634 176.094 0.011 0.000 1.151 406 V CA 0.294 62.598 62.300 0.008 0.000 1.119 406 V CB -0.508 31.313 31.823 -0.003 0.000 0.838 406 V HN 0.606 nan 8.190 nan 0.000 0.470 407 K N 1.641 122.052 120.400 0.018 0.000 2.397 407 K HA 0.578 4.901 4.320 0.004 0.000 0.253 407 K C -1.028 175.570 176.600 -0.002 0.000 0.932 407 K CA -0.370 55.918 56.287 0.001 0.000 0.795 407 K CB 2.924 35.416 32.500 -0.014 0.000 1.159 407 K HN 0.094 nan 8.250 nan 0.000 0.424 408 R N 2.806 123.284 120.500 -0.038 0.000 2.451 408 R HA 0.277 4.620 4.340 0.004 0.000 0.307 408 R C -0.865 175.346 176.300 -0.149 0.000 0.965 408 R CA -0.151 55.877 56.100 -0.122 0.000 0.865 408 R CB 1.220 31.507 30.300 -0.021 0.000 1.174 408 R HN 0.715 nan 8.270 nan 0.000 0.455 409 Q N 0.000 119.662 119.800 -0.230 0.000 2.315 409 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 409 Q CA 0.000 55.711 55.803 -0.154 0.000 1.022 409 Q CB 0.000 28.670 28.738 -0.113 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481