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_M DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGDLLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIXIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.692 174.700 -0.014 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.013 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 3 I N 1.434 121.994 120.570 -0.016 0.000 2.686 3 I HA 0.723 4.885 4.170 -0.013 0.000 0.295 3 I C -1.878 174.225 176.117 -0.023 0.000 1.114 3 I CA -0.266 61.023 61.300 -0.018 0.000 1.038 3 I CB 2.299 40.288 38.000 -0.017 0.000 1.238 3 I HN 0.146 nan 8.210 nan 0.000 0.420 4 T N 5.573 120.112 114.554 -0.025 0.000 2.923 4 T HA 0.511 4.853 4.350 -0.013 0.000 0.311 4 T C -1.412 173.269 174.700 -0.032 0.000 1.183 4 T CA -0.442 61.638 62.100 -0.033 0.000 1.020 4 T CB 2.165 71.010 68.868 -0.039 0.000 1.165 4 T HN 0.272 nan 8.240 nan 0.000 0.482 5 V N 3.398 123.290 119.914 -0.036 0.000 2.444 5 V HA 0.477 4.589 4.120 -0.013 0.000 0.294 5 V C -0.529 175.544 176.094 -0.035 0.000 1.022 5 V CA -0.802 61.483 62.300 -0.026 0.000 0.850 5 V CB 1.583 33.392 31.823 -0.024 0.000 0.992 5 V HN 0.708 nan 8.190 nan 0.000 0.426 6 L N 6.127 127.335 121.223 -0.025 0.000 2.265 6 L HA 0.531 4.863 4.340 -0.013 0.000 0.288 6 L C 0.192 177.079 176.870 0.029 0.000 1.058 6 L CA -0.091 54.727 54.840 -0.037 0.000 0.809 6 L CB 1.032 43.060 42.059 -0.052 0.000 1.179 6 L HN 0.740 nan 8.230 nan 0.000 0.429 7 Q N 2.409 122.229 119.800 0.033 0.000 2.340 7 Q HA 0.611 4.943 4.340 -0.013 0.000 0.268 7 Q C 0.386 176.430 176.000 0.074 0.000 1.031 7 Q CA -0.377 55.501 55.803 0.124 0.000 0.804 7 Q CB 2.206 31.020 28.738 0.127 0.000 1.286 7 Q HN 0.779 nan 8.270 nan 0.000 0.448 8 G N 1.840 110.671 108.800 0.052 0.000 2.175 8 G HA2 -0.228 3.724 3.960 -0.013 0.000 0.244 8 G HA3 -0.228 3.724 3.960 -0.013 0.000 0.244 8 G C 0.386 175.243 174.900 -0.072 0.000 0.982 8 G CA -0.363 44.740 45.100 0.005 0.000 0.641 8 G HN 1.018 nan 8.290 nan 0.000 0.527 9 G N -0.394 108.360 108.800 -0.077 0.000 2.634 9 G HA2 0.450 4.403 3.960 -0.013 0.000 0.255 9 G HA3 0.450 4.403 3.960 -0.013 0.000 0.255 9 G C -0.096 174.722 174.900 -0.137 0.000 1.205 9 G CA -0.088 44.959 45.100 -0.088 0.000 0.884 9 G HN 0.469 nan 8.290 nan 0.000 0.549 10 N N -0.188 118.436 118.700 -0.126 0.000 2.707 10 N HA 0.316 5.048 4.740 -0.013 0.000 0.235 10 N C -0.535 174.921 175.510 -0.091 0.000 1.028 10 N CA -0.549 52.422 53.050 -0.132 0.000 0.906 10 N CB 2.036 40.434 38.487 -0.148 0.000 1.131 10 N HN 0.224 nan 8.380 nan 0.000 0.509 11 V N 2.844 122.708 119.914 -0.084 0.000 2.450 11 V HA -0.010 4.102 4.120 -0.013 0.000 0.281 11 V C 0.572 176.607 176.094 -0.098 0.000 1.019 11 V CA -0.081 62.167 62.300 -0.086 0.000 1.062 11 V CB 0.128 31.896 31.823 -0.092 0.000 0.979 11 V HN 0.572 nan 8.190 nan 0.000 0.477 12 L N 5.251 126.430 121.223 -0.073 0.000 2.349 12 L HA 0.430 4.762 4.340 -0.013 0.000 0.275 12 L C 0.185 177.023 176.870 -0.054 0.000 1.115 12 L CA 0.203 55.008 54.840 -0.059 0.000 0.820 12 L CB 1.000 43.035 42.059 -0.040 0.000 1.135 12 L HN 0.668 nan 8.230 nan 0.000 0.445 13 D N 3.305 123.676 120.400 -0.048 0.000 2.481 13 D HA 0.308 4.940 4.640 -0.013 0.000 0.244 13 D C 0.170 176.461 176.300 -0.015 0.000 1.057 13 D CA -0.355 53.622 54.000 -0.038 0.000 0.848 13 D CB 2.147 42.914 40.800 -0.054 0.000 1.388 13 D HN 0.443 nan 8.370 nan 0.000 0.475 14 L N 1.897 123.118 121.223 -0.003 0.000 2.526 14 L HA 0.080 4.412 4.340 -0.013 0.000 0.210 14 L C 2.267 179.146 176.870 0.016 0.000 1.048 14 L CA -0.136 54.712 54.840 0.014 0.000 0.852 14 L CB -0.089 41.985 42.059 0.026 0.000 1.128 14 L HN 0.451 nan 8.230 nan 0.000 0.482 15 E N 1.004 121.211 120.200 0.011 0.000 2.216 15 E HA -0.164 4.178 4.350 -0.013 0.000 0.192 15 E C 1.708 178.313 176.600 0.008 0.000 0.988 15 E CA 0.997 57.405 56.400 0.012 0.000 0.834 15 E CB -0.001 29.706 29.700 0.012 0.000 0.772 15 E HN 0.430 nan 8.360 nan 0.000 0.479 16 R N -0.282 120.218 120.500 0.000 0.000 2.334 16 R HA 0.168 4.500 4.340 -0.013 0.000 0.212 16 R C 1.140 177.439 176.300 -0.003 0.000 0.897 16 R CA 0.469 56.567 56.100 -0.002 0.000 1.056 16 R CB 0.542 30.836 30.300 -0.010 0.000 1.046 16 R HN 0.364 nan 8.270 nan 0.000 0.513 17 G N 1.126 109.926 108.800 -0.001 0.000 2.189 17 G HA2 -0.309 3.643 3.960 -0.013 0.000 0.267 17 G HA3 -0.309 3.643 3.960 -0.013 0.000 0.267 17 G C 0.362 175.259 174.900 -0.004 0.000 0.975 17 G CA 0.645 45.747 45.100 0.003 0.000 0.644 17 G HN 0.277 nan 8.290 nan 0.000 0.537 18 V N -2.672 117.233 119.914 -0.015 0.000 3.345 18 V HA 0.850 4.962 4.120 -0.013 0.000 0.308 18 V C 0.773 176.845 176.094 -0.037 0.000 1.168 18 V CA -1.533 60.754 62.300 -0.021 0.000 1.024 18 V CB 1.926 33.737 31.823 -0.021 0.000 1.211 18 V HN 0.254 nan 8.190 nan 0.000 0.461 19 L N 1.353 122.553 121.223 -0.040 0.000 2.294 19 L HA 0.461 4.793 4.340 -0.013 0.000 0.283 19 L C -0.601 176.221 176.870 -0.081 0.000 1.015 19 L CA -0.565 54.240 54.840 -0.059 0.000 0.831 19 L CB 1.444 43.476 42.059 -0.045 0.000 1.217 19 L HN 0.610 nan 8.230 nan 0.000 0.420 20 L N 5.608 126.734 121.223 -0.161 0.000 2.415 20 L HA 0.055 4.387 4.340 -0.013 0.000 0.269 20 L C 0.877 177.681 176.870 -0.110 0.000 1.244 20 L CA -0.165 54.482 54.840 -0.321 0.000 1.113 20 L CB -0.265 41.359 42.059 -0.726 0.000 1.352 20 L HN 0.566 nan 8.230 nan 0.000 0.433 21 E N 3.559 123.799 120.200 0.066 0.000 2.373 21 E HA -0.030 4.312 4.350 -0.013 0.000 0.267 21 E C 0.248 176.978 176.600 0.217 0.000 1.032 21 E CA -0.407 56.028 56.400 0.058 0.000 0.889 21 E CB 0.379 30.121 29.700 0.071 0.000 0.984 21 E HN 0.553 nan 8.360 nan 0.000 0.425 22 H N -0.198 118.885 119.070 0.022 0.000 3.179 22 H HA -0.169 4.379 4.556 -0.013 0.000 0.250 22 H C -0.552 174.599 175.328 -0.295 0.000 1.142 22 H CA 1.258 57.235 56.048 -0.117 0.000 1.165 22 H CB -2.068 27.627 29.762 -0.112 0.000 1.253 22 H HN 0.617 nan 8.280 nan 0.000 0.325 23 H N 1.365 120.324 119.070 -0.186 0.000 2.683 23 H HA 0.186 4.734 4.556 -0.013 0.000 0.339 23 H C 0.995 176.172 175.328 -0.253 0.000 1.081 23 H CA 0.172 56.103 56.048 -0.196 0.000 1.432 23 H CB 0.529 30.251 29.762 -0.067 0.000 1.462 23 H HN 0.266 nan 8.280 nan 0.000 0.557 24 H N 1.935 121.051 119.070 0.077 0.000 2.487 24 H HA 0.262 4.810 4.556 -0.013 0.000 0.333 24 H C -0.373 174.977 175.328 0.035 0.000 1.114 24 H CA -0.658 55.411 56.048 0.036 0.000 1.310 24 H CB 1.140 30.906 29.762 0.006 0.000 1.462 24 H HN 0.256 nan 8.280 nan 0.000 0.516 25 V N 3.950 123.935 119.914 0.119 0.000 2.347 25 V HA 0.131 4.244 4.120 -0.013 0.000 0.280 25 V C 0.226 176.345 176.094 0.041 0.000 1.021 25 V CA -0.727 61.609 62.300 0.060 0.000 0.847 25 V CB 1.276 33.109 31.823 0.016 0.000 0.990 25 V HN 0.444 nan 8.190 nan 0.000 0.444 26 V N 6.105 126.040 119.914 0.033 0.000 2.398 26 V HA 0.508 4.620 4.120 -0.013 0.000 0.286 26 V C -0.066 176.029 176.094 0.001 0.000 1.026 26 V CA -0.493 61.814 62.300 0.012 0.000 0.868 26 V CB 1.593 33.422 31.823 0.009 0.000 0.982 26 V HN 0.614 nan 8.190 nan 0.000 0.443 27 I N 3.109 123.674 120.570 -0.010 0.000 2.412 27 I HA 0.519 4.681 4.170 -0.013 0.000 0.296 27 I C -0.575 175.534 176.117 -0.013 0.000 0.987 27 I CA -0.397 60.895 61.300 -0.013 0.000 1.180 27 I CB 1.740 39.727 38.000 -0.021 0.000 1.340 27 I HN 0.635 nan 8.210 nan 0.000 0.455 28 D N 3.854 124.248 120.400 -0.010 0.000 2.471 28 D HA 0.540 5.172 4.640 -0.013 0.000 0.245 28 D C 0.769 177.063 176.300 -0.009 0.000 1.116 28 D CA 0.514 54.509 54.000 -0.009 0.000 0.853 28 D CB 1.424 42.220 40.800 -0.006 0.000 1.123 28 D HN 0.885 nan 8.370 nan 0.000 0.540 29 G N 4.498 113.291 108.800 -0.011 0.000 2.815 29 G HA2 -0.361 3.591 3.960 -0.013 0.000 0.326 29 G HA3 -0.361 3.591 3.960 -0.013 0.000 0.326 29 G C 0.718 175.611 174.900 -0.012 0.000 1.191 29 G CA 0.630 45.724 45.100 -0.011 0.000 0.965 29 G HN 0.574 nan 8.290 nan 0.000 0.564 30 E N 0.993 121.188 120.200 -0.009 0.000 2.603 30 E HA 0.288 4.630 4.350 -0.013 0.000 0.211 30 E C 0.813 177.409 176.600 -0.007 0.000 0.995 30 E CA -0.164 56.230 56.400 -0.009 0.000 0.990 30 E CB 0.847 30.542 29.700 -0.008 0.000 1.036 30 E HN 0.391 nan 8.360 nan 0.000 0.475 31 R N 0.784 121.281 120.500 -0.006 0.000 2.744 31 R HA 0.476 4.808 4.340 -0.013 0.000 0.279 31 R C -0.581 175.716 176.300 -0.004 0.000 0.977 31 R CA -0.835 55.263 56.100 -0.003 0.000 0.906 31 R CB 2.094 32.395 30.300 0.001 0.000 1.197 31 R HN -0.036 nan 8.270 nan 0.000 0.463 32 I N 3.277 123.846 120.570 -0.003 0.000 2.421 32 I HA -0.025 4.137 4.170 -0.013 0.000 0.291 32 I C 1.645 177.765 176.117 0.004 0.000 1.089 32 I CA -0.133 61.166 61.300 -0.001 0.000 1.354 32 I CB 0.950 38.949 38.000 -0.001 0.000 1.413 32 I HN 0.530 nan 8.210 nan 0.000 0.513 33 V N 1.919 121.835 119.914 0.005 0.000 2.599 33 V HA 0.197 4.309 4.120 -0.013 0.000 0.245 33 V C 0.647 176.749 176.094 0.013 0.000 1.046 33 V CA 0.702 63.006 62.300 0.007 0.000 1.065 33 V CB -0.445 31.380 31.823 0.003 0.000 0.703 33 V HN 0.787 nan 8.190 nan 0.000 0.464 34 E N -0.872 119.339 120.200 0.018 0.000 2.321 34 E HA 0.633 4.975 4.350 -0.013 0.000 0.281 34 E C -1.966 174.663 176.600 0.048 0.000 0.910 34 E CA -0.328 56.091 56.400 0.030 0.000 0.770 34 E CB 2.873 32.589 29.700 0.026 0.000 1.225 34 E HN 0.065 nan 8.360 nan 0.000 0.417 35 V N 3.181 123.134 119.914 0.064 0.000 2.443 35 V HA 0.714 4.826 4.120 -0.013 0.000 0.293 35 V C -0.386 175.803 176.094 0.159 0.000 1.021 35 V CA -0.288 62.071 62.300 0.099 0.000 0.848 35 V CB 1.777 33.639 31.823 0.064 0.000 0.998 35 V HN 0.752 nan 8.190 nan 0.000 0.424 36 T N 1.780 116.459 114.554 0.209 0.000 2.749 36 T HA 0.237 4.579 4.350 -0.013 0.000 0.310 36 T C -0.190 174.532 174.700 0.036 0.000 1.496 36 T CA 0.097 62.317 62.100 0.199 0.000 1.006 36 T CB 1.944 70.876 68.868 0.106 0.000 1.457 36 T HN 0.780 nan 8.240 nan 0.000 0.497 37 D N 0.665 120.917 120.400 -0.246 0.000 2.354 37 D HA 0.017 4.649 4.640 -0.013 0.000 0.209 37 D C 0.320 176.631 176.300 0.018 0.000 1.015 37 D CA -0.128 53.662 54.000 -0.350 0.000 0.867 37 D CB 0.132 40.560 40.800 -0.620 0.000 0.933 37 D HN 0.385 nan 8.370 nan 0.000 0.520 38 R N 1.830 122.351 120.500 0.035 0.000 2.489 38 R HA 0.259 4.591 4.340 -0.013 0.000 0.287 38 R C -2.277 174.004 176.300 -0.031 0.000 1.053 38 R CA -1.436 54.674 56.100 0.017 0.000 1.036 38 R CB -0.839 29.457 30.300 -0.006 0.000 0.966 38 R HN 0.076 nan 8.270 nan 0.000 0.432 39 P HA -0.082 nan 4.420 nan 0.000 0.266 39 P C -0.076 177.058 177.300 -0.277 0.000 1.193 39 P CA -0.106 62.830 63.100 -0.273 0.000 0.770 39 P CB 0.480 32.107 31.700 -0.121 0.000 0.836 40 V N 2.683 122.378 119.914 -0.366 0.000 2.488 40 V HA 0.048 4.161 4.120 -0.013 0.000 0.277 40 V C 0.297 176.314 176.094 -0.128 0.000 1.046 40 V CA -0.066 62.096 62.300 -0.231 0.000 0.986 40 V CB 0.516 32.201 31.823 -0.230 0.000 0.989 40 V HN 0.420 nan 8.190 nan 0.000 0.475 41 D N 5.914 126.261 120.400 -0.088 0.000 2.608 41 D HA 0.172 4.804 4.640 -0.013 0.000 0.224 41 D C 0.069 176.338 176.300 -0.051 0.000 1.123 41 D CA -0.065 53.900 54.000 -0.059 0.000 1.030 41 D CB -0.273 40.501 40.800 -0.044 0.000 1.093 41 D HN 0.596 nan 8.370 nan 0.000 0.497 42 L N 1.164 122.355 121.223 -0.054 0.000 2.260 42 L HA 0.617 4.949 4.340 -0.013 0.000 0.289 42 L C -1.842 175.008 176.870 -0.034 0.000 1.057 42 L CA -1.087 53.726 54.840 -0.045 0.000 0.811 42 L CB 1.089 43.118 42.059 -0.050 0.000 1.184 42 L HN -0.007 nan 8.230 nan 0.000 0.429 43 P HA 0.159 nan 4.420 nan 0.000 0.198 43 P C 0.249 177.536 177.300 -0.020 0.000 1.161 43 P CA 0.365 63.451 63.100 -0.022 0.000 0.883 43 P CB 0.341 32.030 31.700 -0.019 0.000 0.725 44 N N -0.664 118.024 118.700 -0.019 0.000 2.320 44 N HA 0.386 5.118 4.740 -0.013 0.000 0.237 44 N C -0.639 174.859 175.510 -0.020 0.000 1.129 44 N CA -0.256 52.783 53.050 -0.018 0.000 0.854 44 N CB -0.147 38.331 38.487 -0.015 0.000 1.083 44 N HN 0.170 nan 8.380 nan 0.000 0.504 45 A N 0.367 123.173 122.820 -0.023 0.000 2.328 45 A HA 0.213 4.525 4.320 -0.013 0.000 0.284 45 A C 0.173 177.740 177.584 -0.028 0.000 1.160 45 A CA -0.391 51.631 52.037 -0.026 0.000 0.818 45 A CB 0.434 19.416 19.000 -0.029 0.000 1.087 45 A HN 0.427 nan 8.150 nan 0.000 0.504 46 Q N 1.145 120.927 119.800 -0.030 0.000 2.352 46 Q HA 0.479 4.811 4.340 -0.013 0.000 0.260 46 Q C -0.201 175.774 176.000 -0.043 0.000 0.976 46 Q CA -0.110 55.672 55.803 -0.034 0.000 0.881 46 Q CB 0.810 29.526 28.738 -0.036 0.000 1.235 46 Q HN 0.855 nan 8.270 nan 0.000 0.419 47 A N 4.830 127.624 122.820 -0.044 0.000 2.330 47 A HA 0.669 4.981 4.320 -0.013 0.000 0.327 47 A C -0.958 176.581 177.584 -0.075 0.000 1.155 47 A CA -0.672 51.335 52.037 -0.050 0.000 0.803 47 A CB 0.711 19.691 19.000 -0.033 0.000 1.208 47 A HN 0.766 nan 8.150 nan 0.000 0.477 48 I N 1.627 122.133 120.570 -0.106 0.000 2.466 48 I HA 0.246 4.408 4.170 -0.013 0.000 0.289 48 I C -1.040 174.996 176.117 -0.135 0.000 1.026 48 I CA -0.582 60.609 61.300 -0.182 0.000 1.078 48 I CB 2.190 39.982 38.000 -0.348 0.000 1.249 48 I HN 0.568 nan 8.210 nan 0.000 0.429 49 D N 5.719 126.068 120.400 -0.086 0.000 2.316 49 D HA 0.336 4.968 4.640 -0.013 0.000 0.245 49 D C 0.092 176.396 176.300 0.007 0.000 1.171 49 D CA -0.014 53.975 54.000 -0.017 0.000 0.856 49 D CB 1.394 42.204 40.800 0.017 0.000 1.090 49 D HN 0.263 nan 8.370 nan 0.000 0.476 50 V N 4.345 124.264 119.914 0.008 0.000 2.909 50 V HA 0.183 4.295 4.120 -0.013 0.000 0.362 50 V C 0.657 176.758 176.094 0.012 0.000 1.356 50 V CA -0.870 61.444 62.300 0.022 0.000 1.195 50 V CB -0.800 31.017 31.823 -0.010 0.000 1.256 50 V HN 0.484 nan 8.190 nan 0.000 0.567 51 R N 1.702 122.216 120.500 0.024 0.000 2.442 51 R HA 0.406 4.738 4.340 -0.013 0.000 0.291 51 R C 0.866 177.170 176.300 0.005 0.000 1.069 51 R CA 0.971 57.082 56.100 0.019 0.000 1.022 51 R CB 0.228 30.558 30.300 0.049 0.000 0.976 51 R HN 0.888 nan 8.270 nan 0.000 0.443 52 G N 2.144 110.926 108.800 -0.031 0.000 2.162 52 G HA2 -0.308 3.644 3.960 -0.013 0.000 0.260 52 G HA3 -0.308 3.644 3.960 -0.013 0.000 0.260 52 G C -0.396 174.480 174.900 -0.040 0.000 0.976 52 G CA 0.701 45.781 45.100 -0.034 0.000 0.655 52 G HN 0.638 nan 8.290 nan 0.000 0.533 53 K N 0.043 120.416 120.400 -0.045 0.000 2.328 53 K HA 0.597 4.909 4.320 -0.013 0.000 0.246 53 K C -0.465 176.105 176.600 -0.049 0.000 0.955 53 K CA -0.575 55.695 56.287 -0.028 0.000 0.817 53 K CB 1.606 34.114 32.500 0.013 0.000 1.208 53 K HN 0.039 nan 8.250 nan 0.000 0.432 54 T N 1.635 116.164 114.554 -0.043 0.000 2.794 54 T HA 0.170 4.512 4.350 -0.013 0.000 0.304 54 T C -0.089 174.581 174.700 -0.051 0.000 0.973 54 T CA -0.640 61.428 62.100 -0.053 0.000 0.972 54 T CB 0.190 69.028 68.868 -0.049 0.000 0.952 54 T HN 0.148 nan 8.240 nan 0.000 0.509 55 V N 6.653 126.534 119.914 -0.056 0.000 2.455 55 V HA 0.449 4.561 4.120 -0.013 0.000 0.273 55 V C 0.306 176.356 176.094 -0.073 0.000 1.045 55 V CA -0.293 61.971 62.300 -0.060 0.000 0.976 55 V CB -0.028 31.764 31.823 -0.052 0.000 0.993 55 V HN 0.926 nan 8.190 nan 0.000 0.475 56 M N 5.710 125.250 119.600 -0.100 0.000 2.704 56 M HA 0.792 5.264 4.480 -0.013 0.000 0.284 56 M C -3.067 173.143 176.300 -0.150 0.000 1.275 56 M CA -2.291 52.947 55.300 -0.105 0.000 0.811 56 M CB 2.440 34.991 32.600 -0.083 0.000 1.741 56 M HN 0.171 nan 8.290 nan 0.000 0.458 57 P HA 0.219 nan 4.420 nan 0.000 0.269 57 P C -0.235 176.887 177.300 -0.297 0.000 1.215 57 P CA 0.075 63.092 63.100 -0.137 0.000 0.780 57 P CB 0.335 32.004 31.700 -0.052 0.000 0.898 58 G N 1.523 110.164 108.800 -0.264 0.000 2.442 58 G HA2 0.293 4.245 3.960 -0.013 0.000 0.249 58 G HA3 0.293 4.245 3.960 -0.013 0.000 0.249 58 G C -0.682 174.067 174.900 -0.252 0.000 1.263 58 G CA -0.246 44.633 45.100 -0.369 0.000 0.846 58 G HN 0.215 nan 8.290 nan 0.000 0.555 59 F N 0.537 120.386 119.950 -0.169 0.000 2.429 59 F HA 0.390 4.910 4.527 -0.012 0.000 0.348 59 F C 0.813 176.611 175.800 -0.004 0.000 1.109 59 F CA -0.959 56.905 58.000 -0.227 0.000 1.232 59 F CB 1.015 39.576 39.000 -0.733 0.000 1.157 59 F HN 0.165 nan 8.300 nan 0.000 0.564 60 I N 2.671 123.396 120.570 0.258 0.000 2.464 60 I HA 0.146 4.309 4.170 -0.013 0.000 0.277 60 I C -0.359 175.948 176.117 0.316 0.000 1.040 60 I CA -0.554 60.905 61.300 0.265 0.000 1.153 60 I CB 0.757 38.847 38.000 0.150 0.000 1.274 60 I HN 0.427 nan 8.210 nan 0.000 0.469 61 D N 4.883 125.558 120.400 0.458 0.000 2.383 61 D HA 0.108 4.740 4.640 -0.013 0.000 0.252 61 D C 0.294 176.738 176.300 0.240 0.000 1.166 61 D CA -0.064 54.190 54.000 0.424 0.000 0.879 61 D CB 1.425 42.387 40.800 0.269 0.000 1.164 61 D HN 0.578 nan 8.370 nan 0.000 0.462 62 C N 3.178 122.598 119.300 0.201 0.000 2.780 62 C HA 0.220 4.672 4.460 -0.013 0.000 0.287 62 C C 0.652 175.691 174.990 0.081 0.000 1.288 62 C CA -0.478 58.600 59.018 0.099 0.000 1.713 62 C CB -1.648 26.127 27.740 0.058 0.000 1.955 62 C HN 0.596 nan 8.230 nan 0.000 0.613 63 H N 0.535 119.584 119.070 -0.035 0.000 3.093 63 H HA 0.482 5.031 4.556 -0.012 0.000 0.311 63 H C -0.806 174.429 175.328 -0.154 0.000 1.294 63 H CA -0.135 55.840 56.048 -0.122 0.000 1.628 63 H CB 0.549 30.208 29.762 -0.171 0.000 1.874 63 H HN 0.134 nan 8.280 nan 0.000 0.574 64 V N 0.776 120.597 119.914 -0.154 0.000 3.141 64 V HA 0.578 4.690 4.120 -0.013 0.000 0.312 64 V C -0.651 175.229 176.094 -0.357 0.000 1.157 64 V CA -0.873 61.356 62.300 -0.118 0.000 1.041 64 V CB 2.582 34.401 31.823 -0.006 0.000 1.071 64 V HN 0.700 nan 8.190 nan 0.000 0.441 65 H N 1.043 120.196 119.070 0.139 0.000 2.716 65 H HA 0.408 4.956 4.556 -0.014 0.000 0.260 65 H C 0.764 176.186 175.328 0.158 0.000 1.280 65 H CA -0.306 55.813 56.048 0.117 0.000 1.506 65 H CB 1.659 31.483 29.762 0.104 0.000 1.514 65 H HN 0.520 nan 8.280 nan 0.000 0.502 66 V N 2.121 122.126 119.914 0.152 0.000 2.370 66 V HA -0.285 3.828 4.120 -0.013 0.000 0.252 66 V C 2.210 178.338 176.094 0.057 0.000 1.068 66 V CA 1.797 64.128 62.300 0.050 0.000 1.061 66 V CB -0.223 31.609 31.823 0.015 0.000 0.656 66 V HN 0.543 nan 8.190 nan 0.000 0.455 67 L N -0.293 120.995 121.223 0.107 0.000 2.558 67 L HA 0.276 4.608 4.340 -0.013 0.000 0.225 67 L C 1.391 178.315 176.870 0.090 0.000 1.128 67 L CA 0.156 55.044 54.840 0.079 0.000 0.868 67 L CB -0.207 41.894 42.059 0.070 0.000 1.006 67 L HN 0.260 nan 8.230 nan 0.000 0.454 68 A N -0.018 122.894 122.820 0.153 0.000 2.666 68 A HA 0.211 4.523 4.320 -0.013 0.000 0.301 68 A C 1.340 179.010 177.584 0.142 0.000 1.470 68 A CA 0.332 52.435 52.037 0.110 0.000 1.159 68 A CB -0.102 18.953 19.000 0.091 0.000 1.116 68 A HN 0.357 nan 8.150 nan 0.000 0.548 69 S N 1.601 117.337 115.700 0.060 0.000 2.524 69 S HA 0.057 4.519 4.470 -0.013 0.000 0.216 69 S C 0.397 174.992 174.600 -0.009 0.000 0.987 69 S CA 0.231 58.456 58.200 0.043 0.000 0.909 69 S CB -0.466 62.741 63.200 0.012 0.000 0.781 69 S HN 0.922 nan 8.310 nan 0.000 0.521 70 N N -1.117 117.562 118.700 -0.034 0.000 2.357 70 N HA 0.687 5.419 4.740 -0.013 0.000 0.284 70 N C 0.444 175.906 175.510 -0.080 0.000 1.236 70 N CA -0.431 52.578 53.050 -0.068 0.000 0.774 70 N CB 1.176 39.628 38.487 -0.058 0.000 1.534 70 N HN -0.049 nan 8.380 nan 0.000 0.478 71 A N 0.520 123.297 122.820 -0.072 0.000 2.070 71 A HA -0.105 4.207 4.320 -0.013 0.000 0.220 71 A C 0.813 178.343 177.584 -0.091 0.000 1.159 71 A CA 1.019 53.021 52.037 -0.059 0.000 0.656 71 A CB -0.779 18.233 19.000 0.021 0.000 0.800 71 A HN 0.721 nan 8.150 nan 0.000 0.453 72 N N 0.722 119.362 118.700 -0.100 0.000 2.521 72 N HA 0.310 5.042 4.740 -0.013 0.000 0.236 72 N C 0.433 175.797 175.510 -0.243 0.000 1.067 72 N CA -0.159 52.799 53.050 -0.153 0.000 0.939 72 N CB 0.328 38.755 38.487 -0.101 0.000 1.201 72 N HN 0.296 nan 8.380 nan 0.000 0.511 73 L N 1.681 122.659 121.223 -0.408 0.000 2.465 73 L HA 0.075 4.407 4.340 -0.013 0.000 0.224 73 L C 1.998 178.419 176.870 -0.747 0.000 1.145 73 L CA 0.609 55.099 54.840 -0.585 0.000 0.834 73 L CB -0.146 41.459 42.059 -0.757 0.000 0.944 73 L HN 0.560 nan 8.230 nan 0.000 0.451 74 G N -0.607 107.802 108.800 -0.651 0.000 2.394 74 G HA2 -0.182 3.770 3.960 -0.013 0.000 0.214 74 G HA3 -0.182 3.770 3.960 -0.013 0.000 0.214 74 G C 1.510 176.334 174.900 -0.127 0.000 1.176 74 G CA 0.567 45.472 45.100 -0.325 0.000 0.786 74 G HN 0.167 nan 8.290 nan 0.000 0.533 75 V N 0.811 120.650 119.914 -0.125 0.000 3.129 75 V HA 0.002 4.114 4.120 -0.013 0.000 0.259 75 V C 2.281 178.341 176.094 -0.057 0.000 1.116 75 V CA 1.706 63.968 62.300 -0.064 0.000 1.127 75 V CB -0.296 31.496 31.823 -0.050 0.000 0.742 75 V HN 0.454 nan 8.190 nan 0.000 0.474 76 N N 0.196 118.841 118.700 -0.093 0.000 2.244 76 N HA -0.056 4.676 4.740 -0.013 0.000 0.183 76 N C 1.717 177.213 175.510 -0.024 0.000 1.016 76 N CA 1.294 54.305 53.050 -0.065 0.000 0.866 76 N CB -0.174 38.254 38.487 -0.097 0.000 0.980 76 N HN 0.486 nan 8.380 nan 0.000 0.430 77 A N -0.673 122.139 122.820 -0.013 0.000 2.016 77 A HA -0.044 4.268 4.320 -0.013 0.000 0.217 77 A C 2.063 179.675 177.584 0.046 0.000 1.162 77 A CA 1.564 53.631 52.037 0.050 0.000 0.662 77 A CB -0.798 18.280 19.000 0.131 0.000 0.812 77 A HN 0.503 nan 8.150 nan 0.000 0.450 78 T N -1.121 113.448 114.554 0.026 0.000 3.100 78 T HA 0.085 4.428 4.350 -0.013 0.000 0.253 78 T C 0.892 175.604 174.700 0.020 0.000 1.118 78 T CA 0.263 62.379 62.100 0.027 0.000 1.058 78 T CB -0.500 68.380 68.868 0.019 0.000 0.953 78 T HN 0.702 nan 8.240 nan 0.000 0.515 79 Q N 1.549 121.358 119.800 0.014 0.000 2.394 79 Q HA 0.362 4.694 4.340 -0.013 0.000 0.248 79 Q C -2.694 173.317 176.000 0.018 0.000 0.992 79 Q CA -2.046 53.764 55.803 0.011 0.000 0.888 79 Q CB -0.189 28.552 28.738 0.004 0.000 1.257 79 Q HN 0.071 nan 8.270 nan 0.000 0.462 80 P HA -0.044 nan 4.420 nan 0.000 0.265 80 P C -0.112 177.199 177.300 0.018 0.000 1.187 80 P CA -0.025 63.083 63.100 0.014 0.000 0.766 80 P CB 0.519 32.223 31.700 0.007 0.000 0.820 81 N N 2.370 121.083 118.700 0.022 0.000 2.007 81 N HA -0.178 4.554 4.740 -0.013 0.000 0.197 81 N C 1.508 177.032 175.510 0.023 0.000 1.050 81 N CA 1.192 54.260 53.050 0.029 0.000 0.856 81 N CB -0.798 37.707 38.487 0.029 0.000 1.050 81 N HN 0.449 nan 8.380 nan 0.000 0.423 82 I N 0.553 121.131 120.570 0.015 0.000 2.315 82 I HA -0.135 4.027 4.170 -0.013 0.000 0.248 82 I C 1.857 177.978 176.117 0.007 0.000 1.117 82 I CA 0.996 62.302 61.300 0.010 0.000 1.404 82 I CB -0.559 37.444 38.000 0.006 0.000 1.071 82 I HN 0.142 nan 8.210 nan 0.000 0.419 83 L N 1.249 122.475 121.223 0.006 0.000 2.079 83 L HA -0.202 4.130 4.340 -0.013 0.000 0.210 83 L C 2.867 179.739 176.870 0.004 0.000 1.081 83 L CA 1.450 56.291 54.840 0.003 0.000 0.752 83 L CB -0.539 41.521 42.059 0.002 0.000 0.896 83 L HN 0.347 nan 8.230 nan 0.000 0.433 84 A N -0.371 122.455 122.820 0.010 0.000 1.902 84 A HA -0.211 4.101 4.320 -0.013 0.000 0.217 84 A C 2.453 180.044 177.584 0.011 0.000 1.181 84 A CA 1.798 53.843 52.037 0.013 0.000 0.623 84 A CB -0.693 18.320 19.000 0.023 0.000 0.818 84 A HN 0.464 nan 8.150 nan 0.000 0.443 85 A N -0.143 122.683 122.820 0.011 0.000 1.898 85 A HA -0.005 4.307 4.320 -0.013 0.000 0.216 85 A C 1.985 179.565 177.584 -0.006 0.000 1.181 85 A CA 1.492 53.532 52.037 0.005 0.000 0.620 85 A CB -0.482 18.523 19.000 0.008 0.000 0.819 85 A HN 0.386 nan 8.150 nan 0.000 0.442 86 I N 0.075 120.642 120.570 -0.005 0.000 2.194 86 I HA -0.224 3.938 4.170 -0.013 0.000 0.246 86 I C 2.400 178.508 176.117 -0.015 0.000 1.093 86 I CA 1.511 62.805 61.300 -0.010 0.000 1.355 86 I CB -1.259 36.736 38.000 -0.008 0.000 1.046 86 I HN 0.350 nan 8.210 nan 0.000 0.413 87 R N 0.522 121.015 120.500 -0.013 0.000 2.280 87 R HA -0.060 4.272 4.340 -0.013 0.000 0.207 87 R C 2.253 178.536 176.300 -0.028 0.000 1.043 87 R CA 1.207 57.297 56.100 -0.017 0.000 1.006 87 R CB -0.144 30.150 30.300 -0.011 0.000 0.885 87 R HN 0.501 nan 8.270 nan 0.000 0.467 88 S N 0.097 115.781 115.700 -0.027 0.000 2.496 88 S HA 0.038 4.500 4.470 -0.013 0.000 0.224 88 S C 1.950 176.513 174.600 -0.061 0.000 0.996 88 S CA 0.182 58.355 58.200 -0.045 0.000 0.927 88 S CB -0.082 63.103 63.200 -0.024 0.000 0.774 88 S HN 0.191 nan 8.310 nan 0.000 0.524 89 L N 1.107 122.304 121.223 -0.045 0.000 2.056 89 L HA 0.070 4.402 4.340 -0.013 0.000 0.207 89 L C -0.674 176.169 176.870 -0.046 0.000 1.078 89 L CA 1.030 55.845 54.840 -0.042 0.000 0.749 89 L CB -1.856 40.184 42.059 -0.031 0.000 0.901 89 L HN 0.270 nan 8.230 nan 0.000 0.433 90 P HA -0.089 nan 4.420 nan 0.000 0.221 90 P C 1.806 179.066 177.300 -0.068 0.000 1.150 90 P CA 1.203 64.277 63.100 -0.044 0.000 0.800 90 P CB 0.096 31.775 31.700 -0.035 0.000 0.787 91 I N -1.377 119.122 120.570 -0.118 0.000 2.252 91 I HA -0.208 3.954 4.170 -0.013 0.000 0.245 91 I C 2.191 178.209 176.117 -0.165 0.000 1.102 91 I CA 1.299 62.464 61.300 -0.225 0.000 1.385 91 I CB -0.603 37.145 38.000 -0.420 0.000 1.064 91 I HN -0.101 nan 8.210 nan 0.000 0.414 92 L N 0.231 121.389 121.223 -0.109 0.000 2.093 92 L HA -0.221 4.111 4.340 -0.013 0.000 0.208 92 L C 2.134 178.990 176.870 -0.023 0.000 1.085 92 L CA 1.346 56.150 54.840 -0.060 0.000 0.755 92 L CB -0.473 41.557 42.059 -0.048 0.000 0.904 92 L HN 0.229 nan 8.230 nan 0.000 0.435 93 D N -0.307 120.079 120.400 -0.024 0.000 2.183 93 D HA -0.116 4.516 4.640 -0.013 0.000 0.203 93 D C 2.116 178.426 176.300 0.017 0.000 0.969 93 D CA 1.089 55.088 54.000 -0.002 0.000 0.842 93 D CB 0.228 41.023 40.800 -0.008 0.000 0.957 93 D HN 0.247 nan 8.370 nan 0.000 0.484 94 A N -0.204 122.621 122.820 0.007 0.000 1.968 94 A HA -0.058 4.254 4.320 -0.013 0.000 0.217 94 A C 2.226 179.858 177.584 0.081 0.000 1.169 94 A CA 0.827 52.885 52.037 0.034 0.000 0.638 94 A CB -0.435 18.575 19.000 0.017 0.000 0.812 94 A HN 0.227 nan 8.150 nan 0.000 0.446 95 M N -1.320 118.316 119.600 0.061 0.000 2.132 95 M HA -0.097 4.375 4.480 -0.013 0.000 0.263 95 M C 2.158 178.609 176.300 0.251 0.000 1.065 95 M CA 1.336 56.709 55.300 0.121 0.000 1.122 95 M CB -0.352 32.267 32.600 0.031 0.000 1.365 95 M HN 0.456 nan 8.290 nan 0.000 0.411 96 L N 0.212 121.527 121.223 0.153 0.000 2.156 96 L HA -0.082 4.250 4.340 -0.013 0.000 0.208 96 L C 2.504 179.444 176.870 0.118 0.000 1.095 96 L CA 1.711 56.632 54.840 0.136 0.000 0.770 96 L CB -0.400 41.701 42.059 0.071 0.000 0.914 96 L HN 0.306 nan 8.230 nan 0.000 0.439 97 S N -1.839 113.924 115.700 0.105 0.000 2.603 97 S HA -0.006 4.456 4.470 -0.013 0.000 0.220 97 S C 1.909 176.579 174.600 0.117 0.000 0.967 97 S CA 0.057 58.305 58.200 0.080 0.000 0.920 97 S CB -0.390 62.841 63.200 0.051 0.000 0.773 97 S HN 0.477 nan 8.310 nan 0.000 0.529 98 R N 0.110 120.740 120.500 0.217 0.000 2.280 98 R HA 0.265 4.597 4.340 -0.013 0.000 0.195 98 R C 1.470 177.942 176.300 0.286 0.000 0.935 98 R CA 0.603 56.885 56.100 0.303 0.000 1.033 98 R CB 0.169 30.767 30.300 0.496 0.000 0.964 98 R HN 0.594 nan 8.270 nan 0.000 0.489 99 G N 0.094 109.007 108.800 0.189 0.000 2.192 99 G HA2 -0.218 3.734 3.960 -0.013 0.000 0.193 99 G HA3 -0.218 3.734 3.960 -0.013 0.000 0.193 99 G C -0.100 174.724 174.900 -0.128 0.000 0.999 99 G CA -0.693 44.361 45.100 -0.077 0.000 0.659 99 G HN 0.144 nan 8.290 nan 0.000 0.503 100 F N 2.445 122.527 119.950 0.220 0.000 2.438 100 F HA 0.446 4.965 4.527 -0.014 0.000 0.360 100 F C 1.857 177.713 175.800 0.094 0.000 1.118 100 F CA 0.827 58.956 58.000 0.214 0.000 1.164 100 F CB 1.489 40.627 39.000 0.229 0.000 1.131 100 F HN 0.107 nan 8.300 nan 0.000 0.527 101 T N -2.303 112.353 114.554 0.170 0.000 3.014 101 T HA 0.195 4.537 4.350 -0.013 0.000 0.250 101 T C 0.444 175.226 174.700 0.136 0.000 1.060 101 T CA -0.048 62.111 62.100 0.098 0.000 1.040 101 T CB 0.119 68.992 68.868 0.009 0.000 0.971 101 T HN 0.300 nan 8.240 nan 0.000 0.497 102 S N 1.365 117.189 115.700 0.206 0.000 2.614 102 S HA 0.689 5.151 4.470 -0.013 0.000 0.288 102 S C -0.692 174.079 174.600 0.285 0.000 1.137 102 S CA -0.840 57.510 58.200 0.248 0.000 0.992 102 S CB 2.128 65.510 63.200 0.303 0.000 1.026 102 S HN 0.580 nan 8.310 nan 0.000 0.486 103 V N 0.935 121.003 119.914 0.258 0.000 2.769 103 V HA 0.726 4.838 4.120 -0.013 0.000 0.312 103 V C -0.391 175.853 176.094 0.250 0.000 1.061 103 V CA -1.185 61.245 62.300 0.217 0.000 0.931 103 V CB 1.747 33.646 31.823 0.127 0.000 1.010 103 V HN 0.882 nan 8.190 nan 0.000 0.433 104 R N 1.862 122.464 120.500 0.170 0.000 2.265 104 R HA 0.437 4.769 4.340 -0.013 0.000 0.328 104 R C -0.952 175.354 176.300 0.011 0.000 0.969 104 R CA -0.373 55.809 56.100 0.137 0.000 0.832 104 R CB 1.086 31.429 30.300 0.072 0.000 1.139 104 R HN 1.017 nan 8.270 nan 0.000 0.457 105 D N 2.690 123.094 120.400 0.006 0.000 2.308 105 D HA 0.191 4.823 4.640 -0.013 0.000 0.251 105 D C 0.144 176.354 176.300 -0.150 0.000 1.127 105 D CA 0.070 54.025 54.000 -0.076 0.000 0.876 105 D CB 1.447 42.243 40.800 -0.007 0.000 1.176 105 D HN 0.616 nan 8.370 nan 0.000 0.446 106 A N 3.350 125.964 122.820 -0.342 0.000 2.532 106 A HA 0.583 4.895 4.320 -0.013 0.000 0.273 106 A C 0.662 178.252 177.584 0.011 0.000 1.342 106 A CA 0.280 52.100 52.037 -0.361 0.000 0.929 106 A CB -0.727 17.703 19.000 -0.950 0.000 1.051 106 A HN 0.787 nan 8.150 nan 0.000 0.521 107 G N -2.485 106.365 108.800 0.083 0.000 3.326 107 G HA2 0.485 4.437 3.960 -0.013 0.000 0.681 107 G HA3 0.485 4.437 3.960 -0.013 0.000 0.681 107 G C 0.524 175.554 174.900 0.217 0.000 1.255 107 G CA 0.164 45.358 45.100 0.157 0.000 0.976 107 G HN 1.996 nan 8.290 nan 0.000 0.563 108 G N 0.591 109.466 108.800 0.125 0.000 3.038 108 G HA2 0.446 4.399 3.960 -0.013 0.000 0.197 108 G HA3 0.446 4.399 3.960 -0.013 0.000 0.197 108 G C 1.055 176.005 174.900 0.084 0.000 1.925 108 G CA 1.293 46.461 45.100 0.112 0.000 1.405 108 G HN 2.571 nan 8.290 nan 0.000 0.524 109 A N 1.805 124.674 122.820 0.080 0.000 2.440 109 A HA 0.556 4.868 4.320 -0.013 0.000 0.251 109 A C 0.321 177.939 177.584 0.057 0.000 1.089 109 A CA 1.148 53.218 52.037 0.055 0.000 0.779 109 A CB 0.042 19.064 19.000 0.036 0.000 1.022 109 A HN 1.030 nan 8.150 nan 0.000 0.492 110 D N 0.638 121.077 120.400 0.064 0.000 2.621 110 D HA 0.135 4.767 4.640 -0.013 0.000 0.255 110 D C 0.740 177.116 176.300 0.126 0.000 1.122 110 D CA -0.936 53.126 54.000 0.104 0.000 1.096 110 D CB -0.186 40.688 40.800 0.123 0.000 1.282 110 D HN 0.550 nan 8.370 nan 0.000 0.619 111 W N 0.841 122.131 121.300 -0.017 0.000 2.313 111 W HA -0.238 4.414 4.660 -0.013 0.000 0.293 111 W C 1.776 178.280 176.519 -0.026 0.000 1.216 111 W CA 2.676 60.005 57.345 -0.027 0.000 1.223 111 W CB -0.287 29.160 29.460 -0.023 0.000 1.138 111 W HN 0.315 nan 8.180 nan 0.000 0.535 112 S N 0.632 116.369 115.700 0.061 0.000 2.383 112 S HA -0.202 4.260 4.470 -0.013 0.000 0.227 112 S C 1.870 176.332 174.600 -0.230 0.000 1.026 112 S CA 1.439 59.556 58.200 -0.138 0.000 0.981 112 S CB -0.718 62.527 63.200 0.074 0.000 0.818 112 S HN 0.337 nan 8.310 nan 0.000 0.472 113 L N 0.975 122.118 121.223 -0.133 0.000 2.093 113 L HA -0.016 4.316 4.340 -0.013 0.000 0.208 113 L C 2.607 179.364 176.870 -0.187 0.000 1.085 113 L CA 1.056 55.820 54.840 -0.126 0.000 0.755 113 L CB -0.360 41.661 42.059 -0.063 0.000 0.904 113 L HN 0.390 nan 8.230 nan 0.000 0.435 114 M N -0.996 118.460 119.600 -0.241 0.000 2.117 114 M HA -0.250 4.222 4.480 -0.013 0.000 0.262 114 M C 2.203 178.278 176.300 -0.375 0.000 1.065 114 M CA 1.707 56.833 55.300 -0.290 0.000 1.114 114 M CB -0.049 32.374 32.600 -0.296 0.000 1.361 114 M HN 0.223 nan 8.290 nan 0.000 0.408 115 Q N -0.073 119.388 119.800 -0.564 0.000 2.230 115 Q HA -0.005 4.327 4.340 -0.013 0.000 0.202 115 Q C 2.104 177.909 176.000 -0.324 0.000 0.963 115 Q CA 1.464 56.936 55.803 -0.552 0.000 0.866 115 Q CB -0.321 27.862 28.738 -0.924 0.000 0.931 115 Q HN 0.704 nan 8.270 nan 0.000 0.452 116 A N 0.598 123.260 122.820 -0.263 0.000 1.902 116 A HA -0.132 4.180 4.320 -0.013 0.000 0.217 116 A C 2.235 179.740 177.584 -0.131 0.000 1.181 116 A CA 1.872 53.811 52.037 -0.163 0.000 0.623 116 A CB -0.578 18.346 19.000 -0.126 0.000 0.818 116 A HN 0.277 nan 8.150 nan 0.000 0.443 117 V N -2.688 117.142 119.914 -0.139 0.000 2.446 117 V HA -0.056 4.056 4.120 -0.013 0.000 0.244 117 V C 1.806 177.834 176.094 -0.109 0.000 1.039 117 V CA 1.752 63.988 62.300 -0.107 0.000 1.045 117 V CB -1.011 30.756 31.823 -0.093 0.000 0.681 117 V HN 0.524 nan 8.190 nan 0.000 0.459 118 E N 1.293 121.406 120.200 -0.145 0.000 2.347 118 E HA -0.075 4.267 4.350 -0.013 0.000 0.196 118 E C 1.790 178.327 176.600 -0.105 0.000 1.008 118 E CA 1.457 57.780 56.400 -0.129 0.000 0.852 118 E CB -0.052 29.553 29.700 -0.159 0.000 0.783 118 E HN 0.884 nan 8.360 nan 0.000 0.505 119 T N -3.877 110.611 114.554 -0.110 0.000 3.129 119 T HA 0.349 4.691 4.350 -0.013 0.000 0.267 119 T C 1.296 175.957 174.700 -0.065 0.000 1.018 119 T CA 0.193 62.244 62.100 -0.082 0.000 0.903 119 T CB 0.874 69.689 68.868 -0.088 0.000 1.067 119 T HN 0.163 nan 8.240 nan 0.000 0.549 120 G N 1.268 110.029 108.800 -0.065 0.000 2.162 120 G HA2 -0.260 3.692 3.960 -0.013 0.000 0.260 120 G HA3 -0.260 3.692 3.960 -0.013 0.000 0.260 120 G C 0.556 175.429 174.900 -0.046 0.000 0.976 120 G CA 0.390 45.461 45.100 -0.049 0.000 0.655 120 G HN 0.506 nan 8.290 nan 0.000 0.533 121 L N -0.480 120.709 121.223 -0.056 0.000 2.291 121 L HA 0.342 4.675 4.340 -0.013 0.000 0.214 121 L C 1.229 178.071 176.870 -0.046 0.000 1.120 121 L CA 1.255 56.065 54.840 -0.050 0.000 0.799 121 L CB 0.282 42.305 42.059 -0.059 0.000 0.925 121 L HN 0.207 nan 8.230 nan 0.000 0.446 122 V N -1.524 118.359 119.914 -0.052 0.000 2.686 122 V HA 0.283 4.395 4.120 -0.013 0.000 0.306 122 V C -0.241 175.829 176.094 -0.040 0.000 1.065 122 V CA -0.767 61.506 62.300 -0.045 0.000 0.894 122 V CB 2.000 33.791 31.823 -0.054 0.000 1.004 122 V HN -0.057 nan 8.190 nan 0.000 0.424 123 S N 3.145 118.828 115.700 -0.029 0.000 2.448 123 S HA 0.754 5.216 4.470 -0.013 0.000 0.279 123 S C 0.216 174.806 174.600 -0.017 0.000 1.195 123 S CA 0.516 58.704 58.200 -0.020 0.000 1.051 123 S CB 0.039 63.232 63.200 -0.012 0.000 0.948 123 S HN 1.336 nan 8.310 nan 0.000 0.493 124 G N 4.868 113.660 108.800 -0.013 0.000 2.356 124 G HA2 0.427 4.379 3.960 -0.013 0.000 0.294 124 G HA3 0.427 4.379 3.960 -0.013 0.000 0.294 124 G C -3.529 171.375 174.900 0.006 0.000 1.423 124 G CA -0.867 44.231 45.100 -0.003 0.000 0.806 124 G HN 0.461 nan 8.290 nan 0.000 0.527 125 P HA 0.322 nan 4.420 nan 0.000 0.274 125 P C -0.275 177.031 177.300 0.011 0.000 1.256 125 P CA -0.524 62.606 63.100 0.051 0.000 0.795 125 P CB 0.817 32.586 31.700 0.115 0.000 1.038 126 R N 0.936 121.443 120.500 0.012 0.000 2.489 126 R HA 0.261 4.593 4.340 -0.013 0.000 0.287 126 R C -0.378 175.884 176.300 -0.062 0.000 1.053 126 R CA 0.122 56.184 56.100 -0.062 0.000 1.036 126 R CB -0.639 29.628 30.300 -0.055 0.000 0.966 126 R HN 0.365 nan 8.270 nan 0.000 0.432 127 I N 5.066 125.533 120.570 -0.172 0.000 2.377 127 I HA 0.236 4.399 4.170 -0.013 0.000 0.293 127 I C -0.700 175.252 176.117 -0.275 0.000 0.987 127 I CA -0.587 60.645 61.300 -0.113 0.000 1.185 127 I CB 1.379 39.330 38.000 -0.081 0.000 1.341 127 I HN 0.556 nan 8.210 nan 0.000 0.455 128 F N 7.352 127.306 119.950 0.006 0.000 2.300 128 F HA 0.362 4.881 4.527 -0.013 0.000 0.364 128 F C -2.119 173.675 175.800 -0.010 0.000 1.090 128 F CA -2.133 55.871 58.000 0.007 0.000 1.200 128 F CB 0.639 39.652 39.000 0.022 0.000 1.493 128 F HN 0.203 nan 8.300 nan 0.000 0.518 129 P HA 0.207 nan 4.420 nan 0.000 0.281 129 P C -0.073 177.251 177.300 0.040 0.000 1.249 129 P CA -0.378 62.756 63.100 0.056 0.000 0.810 129 P CB 1.960 33.687 31.700 0.045 0.000 1.008 130 S N 0.118 115.828 115.700 0.017 0.000 2.539 130 S HA 0.334 4.796 4.470 -0.013 0.000 0.221 130 S C 1.202 175.807 174.600 0.009 0.000 0.987 130 S CA 0.339 58.533 58.200 -0.009 0.000 0.929 130 S CB -0.309 62.874 63.200 -0.028 0.000 0.832 130 S HN 0.892 nan 8.310 nan 0.000 0.492 131 G N 2.676 111.495 108.800 0.033 0.000 2.557 131 G HA2 -0.257 3.695 3.960 -0.013 0.000 0.292 131 G HA3 -0.257 3.695 3.960 -0.013 0.000 0.292 131 G C -0.494 174.429 174.900 0.038 0.000 1.162 131 G CA 0.067 45.190 45.100 0.039 0.000 0.964 131 G HN 0.358 nan 8.290 nan 0.000 0.541 132 K N 1.441 121.855 120.400 0.023 0.000 2.164 132 K HA 0.723 5.035 4.320 -0.013 0.000 0.258 132 K C 0.344 176.958 176.600 0.023 0.000 0.951 132 K CA 0.066 56.366 56.287 0.023 0.000 0.844 132 K CB 1.764 34.266 32.500 0.002 0.000 1.099 132 K HN 1.088 nan 8.250 nan 0.000 0.435 133 A N 3.708 126.549 122.820 0.034 0.000 2.409 133 A HA 0.315 4.627 4.320 -0.013 0.000 0.262 133 A C 0.177 177.787 177.584 0.043 0.000 1.113 133 A CA -0.421 51.644 52.037 0.048 0.000 0.790 133 A CB -0.117 18.924 19.000 0.068 0.000 1.046 133 A HN 0.641 nan 8.150 nan 0.000 0.496 134 L N 2.172 123.445 121.223 0.083 0.000 2.349 134 L HA 0.519 4.851 4.340 -0.013 0.000 0.275 134 L C 0.672 177.686 176.870 0.241 0.000 1.115 134 L CA -0.033 54.893 54.840 0.143 0.000 0.820 134 L CB 1.191 43.329 42.059 0.132 0.000 1.135 134 L HN 0.701 nan 8.230 nan 0.000 0.445 135 S N 1.324 117.122 115.700 0.163 0.000 2.533 135 S HA 0.356 4.818 4.470 -0.013 0.000 0.271 135 S C -0.846 173.588 174.600 -0.276 0.000 1.143 135 S CA -0.889 57.266 58.200 -0.075 0.000 0.891 135 S CB 1.768 64.891 63.200 -0.128 0.000 1.105 135 S HN 0.645 nan 8.310 nan 0.000 0.468 136 Q N 1.764 121.134 119.800 -0.718 0.000 2.471 136 Q HA 0.472 4.804 4.340 -0.013 0.000 0.223 136 Q C -0.313 175.537 176.000 -0.250 0.000 1.045 136 Q CA -0.440 55.050 55.803 -0.521 0.000 0.956 136 Q CB -0.171 28.173 28.738 -0.657 0.000 1.249 136 Q HN 0.459 nan 8.270 nan 0.000 0.549 137 T N 1.158 115.620 114.554 -0.153 0.000 2.829 137 T HA 0.346 4.688 4.350 -0.013 0.000 0.293 137 T C 0.933 175.576 174.700 -0.094 0.000 0.970 137 T CA 0.900 62.940 62.100 -0.101 0.000 1.168 137 T CB -0.106 68.726 68.868 -0.060 0.000 0.911 137 T HN 0.970 nan 8.240 nan 0.000 0.535 138 G N 2.753 111.503 108.800 -0.084 0.000 2.147 138 G HA2 -0.141 3.811 3.960 -0.013 0.000 0.244 138 G HA3 -0.141 3.811 3.960 -0.013 0.000 0.244 138 G C 0.469 175.334 174.900 -0.058 0.000 1.005 138 G CA -0.124 44.942 45.100 -0.056 0.000 0.713 138 G HN 1.105 nan 8.290 nan 0.000 0.515 139 G N -1.766 106.974 108.800 -0.100 0.000 2.531 139 G HA2 0.473 4.425 3.960 -0.013 0.000 0.281 139 G HA3 0.473 4.425 3.960 -0.013 0.000 0.281 139 G C 0.569 175.454 174.900 -0.025 0.000 1.382 139 G CA 0.409 45.463 45.100 -0.077 0.000 1.045 139 G HN 0.486 nan 8.290 nan 0.000 0.533 140 H N -0.994 118.028 119.070 -0.081 0.000 2.546 140 H HA 0.071 4.620 4.556 -0.013 0.000 0.277 140 H C 2.244 177.453 175.328 -0.198 0.000 1.004 140 H CA 1.553 57.573 56.048 -0.047 0.000 1.231 140 H CB -0.018 29.765 29.762 0.035 0.000 1.382 140 H HN 0.405 nan 8.280 nan 0.000 0.580 141 G N -1.167 107.398 108.800 -0.391 0.000 2.887 141 G HA2 -0.072 3.880 3.960 -0.013 0.000 0.211 141 G HA3 -0.072 3.880 3.960 -0.013 0.000 0.211 141 G C 0.101 174.396 174.900 -1.008 0.000 1.152 141 G CA -0.100 44.553 45.100 -0.744 0.000 0.769 141 G HN 0.278 nan 8.290 nan 0.000 0.541 142 D N 0.456 120.509 120.400 -0.579 0.000 2.338 142 D HA 0.171 4.803 4.640 -0.013 0.000 0.255 142 D C -0.142 175.972 176.300 -0.310 0.000 1.237 142 D CA -0.468 53.300 54.000 -0.387 0.000 0.883 142 D CB 0.477 41.170 40.800 -0.179 0.000 1.087 142 D HN 0.037 nan 8.370 nan 0.000 0.485 143 F N 2.308 122.226 119.950 -0.052 0.000 2.641 143 F HA 0.243 4.762 4.527 -0.014 0.000 0.302 143 F C 1.234 177.017 175.800 -0.028 0.000 1.098 143 F CA -0.435 57.537 58.000 -0.047 0.000 1.318 143 F CB -0.103 38.862 39.000 -0.058 0.000 1.035 143 F HN -0.007 nan 8.300 nan 0.000 0.551 144 R N 2.300 122.861 120.500 0.102 0.000 2.491 144 R HA 0.200 4.532 4.340 -0.013 0.000 0.283 144 R C -2.016 174.319 176.300 0.057 0.000 1.072 144 R CA -1.434 54.704 56.100 0.064 0.000 1.048 144 R CB 0.001 30.316 30.300 0.025 0.000 0.983 144 R HN -0.028 nan 8.270 nan 0.000 0.450 145 P HA 0.027 nan 4.420 nan 0.000 0.282 145 P C -0.104 177.213 177.300 0.027 0.000 1.286 145 P CA -0.264 62.858 63.100 0.038 0.000 0.777 145 P CB 0.640 32.358 31.700 0.029 0.000 1.184 146 R N -0.315 120.198 120.500 0.023 0.000 2.148 146 R HA -0.043 4.289 4.340 -0.013 0.000 0.227 146 R C 2.278 178.585 176.300 0.012 0.000 1.103 146 R CA 1.733 57.843 56.100 0.017 0.000 0.983 146 R CB -1.303 29.006 30.300 0.015 0.000 0.874 146 R HN 0.658 nan 8.270 nan 0.000 0.451 147 G N 0.143 108.951 108.800 0.013 0.000 2.838 147 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.215 147 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.215 147 G C 0.099 175.004 174.900 0.009 0.000 1.327 147 G CA 1.330 46.436 45.100 0.011 0.000 0.802 147 G HN 0.392 nan 8.290 nan 0.000 0.658 148 D N -1.677 118.728 120.400 0.009 0.000 2.609 148 D HA 0.481 5.114 4.640 -0.013 0.000 0.239 148 D C -0.977 175.328 176.300 0.007 0.000 1.229 148 D CA -0.462 53.542 54.000 0.007 0.000 0.808 148 D CB 1.902 42.706 40.800 0.007 0.000 1.448 148 D HN 0.049 nan 8.370 nan 0.000 0.433 149 L N 1.681 122.907 121.223 0.004 0.000 2.325 149 L HA 0.540 4.872 4.340 -0.013 0.000 0.281 149 L C -0.560 176.312 176.870 0.003 0.000 1.004 149 L CA -0.555 54.286 54.840 0.002 0.000 0.823 149 L CB 1.533 43.590 42.059 -0.003 0.000 1.236 149 L HN 0.107 nan 8.230 nan 0.000 0.415 150 L N 2.581 123.807 121.223 0.006 0.000 2.354 150 L HA 0.415 4.747 4.340 -0.013 0.000 0.269 150 L C 0.060 176.933 176.870 0.006 0.000 1.005 150 L CA -0.853 53.991 54.840 0.007 0.000 0.819 150 L CB 2.513 44.579 42.059 0.011 0.000 1.311 150 L HN 0.574 nan 8.230 nan 0.000 0.423 151 E N 3.469 123.672 120.200 0.005 0.000 2.585 151 E HA 0.017 4.359 4.350 -0.013 0.000 0.252 151 E C -2.077 174.527 176.600 0.006 0.000 0.981 151 E CA -0.984 55.416 56.400 0.001 0.000 0.943 151 E CB 0.106 29.807 29.700 0.002 0.000 0.923 151 E HN 0.235 nan 8.360 nan 0.000 0.486 152 P HA 0.095 nan 4.420 nan 0.000 0.245 152 P C 0.336 177.627 177.300 -0.015 0.000 1.740 152 P CA -0.390 62.712 63.100 0.004 0.000 1.125 152 P CB -0.039 31.658 31.700 -0.004 0.000 1.747 153 C N 0.713 120.016 119.300 0.005 0.000 2.539 153 C HA 0.026 4.478 4.460 -0.013 0.000 0.271 153 C C 1.775 176.714 174.990 -0.085 0.000 1.412 153 C CA 0.542 59.539 59.018 -0.035 0.000 1.729 153 C CB -1.763 25.998 27.740 0.036 0.000 1.739 153 C HN 0.454 nan 8.230 nan 0.000 0.570 154 S N -1.145 114.585 115.700 0.050 0.000 2.575 154 S HA 0.013 4.475 4.470 -0.013 0.000 0.215 154 S C 1.442 176.059 174.600 0.029 0.000 0.966 154 S CA 0.735 59.035 58.200 0.167 0.000 0.911 154 S CB -1.098 62.238 63.200 0.226 0.000 0.780 154 S HN 0.729 nan 8.310 nan 0.000 0.514 155 C N 1.329 120.595 119.300 -0.056 0.000 2.413 155 C HA -0.102 4.350 4.460 -0.013 0.000 0.277 155 C C 2.829 177.775 174.990 -0.074 0.000 1.265 155 C CA 0.730 59.717 59.018 -0.052 0.000 1.752 155 C CB -1.583 26.114 27.740 -0.070 0.000 1.998 155 C HN 0.779 nan 8.230 nan 0.000 0.489 156 C N -0.920 118.266 119.300 -0.189 0.000 2.485 156 C HA 0.067 4.519 4.460 -0.013 0.000 0.278 156 C C 2.315 177.257 174.990 -0.080 0.000 1.356 156 C CA 0.231 59.138 59.018 -0.184 0.000 1.747 156 C CB -1.638 25.917 27.740 -0.308 0.000 2.001 156 C HN 0.591 nan 8.230 nan 0.000 0.501 157 F N 0.995 120.954 119.950 0.015 0.000 2.206 157 F HA -0.011 4.508 4.527 -0.013 0.000 0.298 157 F C 1.389 177.201 175.800 0.020 0.000 1.090 157 F CA 0.305 58.315 58.000 0.016 0.000 1.323 157 F CB -0.126 38.882 39.000 0.013 0.000 1.028 157 F HN 0.011 nan 8.300 nan 0.000 0.492 158 R N 1.646 122.264 120.500 0.197 0.000 2.345 158 R HA 0.023 4.355 4.340 -0.013 0.000 0.331 158 R C 1.172 177.529 176.300 0.094 0.000 1.067 158 R CA 0.245 56.419 56.100 0.124 0.000 0.962 158 R CB -0.648 29.710 30.300 0.098 0.000 0.987 158 R HN 0.236 nan 8.270 nan 0.000 0.451 159 T N -1.285 113.321 114.554 0.087 0.000 3.035 159 T HA -0.064 4.278 4.350 -0.013 0.000 0.268 159 T C 1.698 176.434 174.700 0.060 0.000 1.109 159 T CA 1.038 63.182 62.100 0.072 0.000 1.119 159 T CB 0.148 69.055 68.868 0.065 0.000 0.900 159 T HN 0.542 nan 8.240 nan 0.000 0.503 160 G N 0.871 109.704 108.800 0.055 0.000 2.880 160 G HA2 0.455 4.407 3.960 -0.013 0.000 0.209 160 G HA3 0.455 4.407 3.960 -0.013 0.000 0.209 160 G C 0.592 175.524 174.900 0.054 0.000 1.157 160 G CA 0.009 45.136 45.100 0.045 0.000 0.779 160 G HN 0.813 nan 8.290 nan 0.000 0.539 161 A N 0.938 123.800 122.820 0.070 0.000 2.404 161 A HA 0.496 4.809 4.320 -0.013 0.000 0.273 161 A C 1.352 178.985 177.584 0.081 0.000 1.144 161 A CA -0.459 51.634 52.037 0.093 0.000 0.806 161 A CB 0.362 19.409 19.000 0.078 0.000 1.080 161 A HN 0.071 nan 8.150 nan 0.000 0.509 162 I N 1.408 122.042 120.570 0.107 0.000 2.252 162 I HA -0.079 4.083 4.170 -0.013 0.000 0.245 162 I C 1.521 177.663 176.117 0.041 0.000 1.102 162 I CA 1.853 63.188 61.300 0.059 0.000 1.385 162 I CB -1.415 36.572 38.000 -0.021 0.000 1.064 162 I HN 0.671 nan 8.210 nan 0.000 0.414 163 A N 1.035 123.855 122.820 -0.000 0.000 2.437 163 A HA 0.779 5.091 4.320 -0.013 0.000 0.292 163 A C -0.057 177.478 177.584 -0.081 0.000 1.173 163 A CA -0.628 51.367 52.037 -0.070 0.000 0.785 163 A CB 1.597 20.484 19.000 -0.189 0.000 1.351 163 A HN 0.302 nan 8.150 nan 0.000 0.431 164 R N -0.460 119.995 120.500 -0.075 0.000 2.744 164 R HA 0.714 5.047 4.340 -0.013 0.000 0.279 164 R C -1.916 174.340 176.300 -0.073 0.000 0.977 164 R CA -0.697 55.358 56.100 -0.074 0.000 0.906 164 R CB 1.565 31.832 30.300 -0.054 0.000 1.197 164 R HN 0.304 nan 8.270 nan 0.000 0.463 165 V N 3.034 122.900 119.914 -0.080 0.000 2.364 165 V HA 0.404 4.516 4.120 -0.013 0.000 0.272 165 V C -0.152 175.926 176.094 -0.026 0.000 1.036 165 V CA -0.411 61.846 62.300 -0.071 0.000 0.880 165 V CB 1.082 32.851 31.823 -0.090 0.000 0.991 165 V HN 0.633 nan 8.190 nan 0.000 0.460 166 V N 1.742 121.670 119.914 0.023 0.000 2.808 166 V HA 0.773 4.885 4.120 -0.013 0.000 0.308 166 V C -1.213 174.956 176.094 0.124 0.000 1.099 166 V CA -0.878 61.457 62.300 0.059 0.000 0.920 166 V CB 2.144 34.005 31.823 0.064 0.000 1.014 166 V HN 0.739 nan 8.190 nan 0.000 0.425 167 D N 1.407 121.859 120.400 0.086 0.000 2.490 167 D HA 0.853 5.485 4.640 -0.013 0.000 0.232 167 D C 0.151 176.500 176.300 0.082 0.000 1.053 167 D CA 0.602 54.667 54.000 0.108 0.000 0.914 167 D CB 1.862 42.689 40.800 0.045 0.000 1.431 167 D HN 1.489 nan 8.370 nan 0.000 0.483 168 G N -0.904 107.950 108.800 0.090 0.000 2.719 168 G HA2 -0.141 3.811 3.960 -0.013 0.000 0.686 168 G HA3 -0.141 3.811 3.960 -0.013 0.000 0.686 168 G C 0.545 175.464 174.900 0.033 0.000 1.201 168 G CA -0.477 44.653 45.100 0.050 0.000 0.768 168 G HN 0.409 nan 8.290 nan 0.000 0.629 169 V N 1.514 121.437 119.914 0.015 0.000 2.343 169 V HA -0.122 3.990 4.120 -0.013 0.000 0.247 169 V C 2.633 178.717 176.094 -0.016 0.000 1.051 169 V CA 2.669 64.963 62.300 -0.009 0.000 1.036 169 V CB -0.397 31.421 31.823 -0.008 0.000 0.654 169 V HN 0.784 nan 8.190 nan 0.000 0.451 170 E N 0.639 120.834 120.200 -0.008 0.000 2.150 170 E HA -0.105 4.237 4.350 -0.013 0.000 0.193 170 E C 2.340 178.933 176.600 -0.012 0.000 0.985 170 E CA 1.285 57.678 56.400 -0.011 0.000 0.814 170 E CB -0.579 29.116 29.700 -0.007 0.000 0.752 170 E HN 0.617 nan 8.360 nan 0.000 0.466 171 G N 1.784 110.582 108.800 -0.003 0.000 2.421 171 G HA2 -0.222 3.730 3.960 -0.013 0.000 0.216 171 G HA3 -0.222 3.730 3.960 -0.013 0.000 0.216 171 G C 1.834 176.730 174.900 -0.006 0.000 1.171 171 G CA 1.545 46.646 45.100 0.002 0.000 0.775 171 G HN 0.312 nan 8.290 nan 0.000 0.543 172 V N -1.439 118.465 119.914 -0.016 0.000 2.719 172 V HA 0.148 4.260 4.120 -0.013 0.000 0.252 172 V C 2.449 178.505 176.094 -0.063 0.000 1.065 172 V CA 1.791 64.058 62.300 -0.054 0.000 1.086 172 V CB -0.486 31.254 31.823 -0.139 0.000 0.700 172 V HN 0.303 nan 8.190 nan 0.000 0.467 173 R N -0.237 120.233 120.500 -0.050 0.000 2.066 173 R HA -0.067 4.265 4.340 -0.013 0.000 0.232 173 R C 2.286 178.562 176.300 -0.039 0.000 1.131 173 R CA 1.971 58.044 56.100 -0.045 0.000 0.955 173 R CB -0.359 29.920 30.300 -0.035 0.000 0.851 173 R HN 0.555 nan 8.270 nan 0.000 0.432 174 L N 0.552 121.755 121.223 -0.033 0.000 2.056 174 L HA -0.019 4.314 4.340 -0.013 0.000 0.207 174 L C 2.225 179.074 176.870 -0.036 0.000 1.078 174 L CA 2.036 56.858 54.840 -0.031 0.000 0.749 174 L CB -0.583 41.461 42.059 -0.026 0.000 0.901 174 L HN 0.196 nan 8.230 nan 0.000 0.433 175 A N -1.007 121.792 122.820 -0.035 0.000 1.908 175 A HA -0.183 4.130 4.320 -0.013 0.000 0.218 175 A C 2.261 179.821 177.584 -0.040 0.000 1.181 175 A CA 2.211 54.227 52.037 -0.035 0.000 0.627 175 A CB -1.151 17.835 19.000 -0.023 0.000 0.818 175 A HN 0.324 nan 8.150 nan 0.000 0.445 176 V N -0.362 119.524 119.914 -0.047 0.000 2.307 176 V HA -0.241 3.872 4.120 -0.013 0.000 0.245 176 V C 2.605 178.671 176.094 -0.047 0.000 1.045 176 V CA 2.176 64.446 62.300 -0.051 0.000 1.024 176 V CB -0.790 30.997 31.823 -0.059 0.000 0.651 176 V HN 0.530 nan 8.190 nan 0.000 0.449 177 R N -0.094 120.380 120.500 -0.044 0.000 2.091 177 R HA -0.204 4.128 4.340 -0.013 0.000 0.238 177 R C 2.317 178.590 176.300 -0.045 0.000 1.136 177 R CA 1.908 57.983 56.100 -0.042 0.000 0.959 177 R CB -0.299 29.979 30.300 -0.038 0.000 0.856 177 R HN 0.628 nan 8.270 nan 0.000 0.437 178 E N 0.044 120.217 120.200 -0.045 0.000 2.051 178 E HA -0.177 4.165 4.350 -0.013 0.000 0.192 178 E C 1.958 178.530 176.600 -0.047 0.000 0.991 178 E CA 0.903 57.275 56.400 -0.047 0.000 0.799 178 E CB 0.080 29.751 29.700 -0.048 0.000 0.748 178 E HN 0.263 nan 8.360 nan 0.000 0.449 179 E N 0.544 120.719 120.200 -0.042 0.000 2.106 179 E HA -0.131 4.211 4.350 -0.013 0.000 0.192 179 E C 2.149 178.728 176.600 -0.035 0.000 0.984 179 E CA 0.659 57.039 56.400 -0.033 0.000 0.806 179 E CB -0.116 29.566 29.700 -0.029 0.000 0.750 179 E HN 0.327 nan 8.360 nan 0.000 0.458 180 I N 1.227 121.771 120.570 -0.044 0.000 2.315 180 I HA -0.303 3.859 4.170 -0.013 0.000 0.248 180 I C 2.636 178.715 176.117 -0.065 0.000 1.117 180 I CA 1.290 62.562 61.300 -0.046 0.000 1.404 180 I CB -0.038 37.935 38.000 -0.045 0.000 1.071 180 I HN 0.078 nan 8.210 nan 0.000 0.419 181 Q N 1.166 120.922 119.800 -0.073 0.000 2.311 181 Q HA -0.144 4.188 4.340 -0.013 0.000 0.203 181 Q C 1.771 177.686 176.000 -0.141 0.000 0.954 181 Q CA 1.447 57.189 55.803 -0.102 0.000 0.885 181 Q CB -0.174 28.514 28.738 -0.084 0.000 0.963 181 Q HN 0.278 nan 8.270 nan 0.000 0.471 182 K N -0.345 119.994 120.400 -0.103 0.000 2.486 182 K HA 0.136 4.448 4.320 -0.013 0.000 0.194 182 K C 0.300 176.842 176.600 -0.097 0.000 1.033 182 K CA 0.545 56.773 56.287 -0.098 0.000 1.004 182 K CB 0.145 32.627 32.500 -0.029 0.000 0.798 182 K HN 0.464 nan 8.250 nan 0.000 0.495 183 G N 0.795 109.538 108.800 -0.095 0.000 2.173 183 G HA2 -0.189 3.763 3.960 -0.013 0.000 0.174 183 G HA3 -0.189 3.763 3.960 -0.013 0.000 0.174 183 G C -0.025 174.935 174.900 0.101 0.000 1.025 183 G CA -0.174 44.904 45.100 -0.036 0.000 0.706 183 G HN 0.379 nan 8.290 nan 0.000 0.499 184 A N -0.155 122.689 122.820 0.040 0.000 2.407 184 A HA 0.748 5.060 4.320 -0.013 0.000 0.248 184 A C 1.623 179.226 177.584 0.031 0.000 1.082 184 A CA 1.202 53.260 52.037 0.035 0.000 0.785 184 A CB 0.406 19.402 19.000 -0.006 0.000 1.020 184 A HN 1.455 nan 8.150 nan 0.000 0.489 185 T N -1.232 113.346 114.554 0.040 0.000 3.044 185 T HA 0.182 4.524 4.350 -0.013 0.000 0.255 185 T C 0.594 175.252 174.700 -0.071 0.000 1.073 185 T CA 0.856 62.989 62.100 0.056 0.000 1.125 185 T CB -0.083 68.903 68.868 0.197 0.000 0.908 185 T HN 0.899 nan 8.240 nan 0.000 0.480 186 Q N 0.020 119.722 119.800 -0.164 0.000 2.626 186 Q HA 0.539 4.871 4.340 -0.013 0.000 0.300 186 Q C -1.569 174.283 176.000 -0.246 0.000 0.988 186 Q CA -1.066 54.502 55.803 -0.392 0.000 0.761 186 Q CB 1.214 29.422 28.738 -0.884 0.000 1.494 186 Q HN 0.158 nan 8.270 nan 0.000 0.439 190 M N 3.154 122.957 119.600 0.338 0.000 2.061 190 M HA 0.494 4.966 4.480 -0.013 0.000 0.346 190 M C 0.644 177.137 176.300 0.321 0.000 1.112 190 M CA -0.320 55.191 55.300 0.351 0.000 1.021 190 M CB 0.664 33.432 32.600 0.280 0.000 1.530 190 M HN 0.933 nan 8.290 nan 0.000 0.437 191 A N 2.653 125.620 122.820 0.245 0.000 2.147 191 A HA 0.283 4.595 4.320 -0.013 0.000 0.211 191 A C 0.972 178.607 177.584 0.085 0.000 1.160 191 A CA 0.867 53.002 52.037 0.164 0.000 0.781 191 A CB 0.242 19.301 19.000 0.098 0.000 0.842 191 A HN 0.783 nan 8.150 nan 0.000 0.475 192 S N -2.629 113.097 115.700 0.043 0.000 2.752 192 S HA 0.637 5.099 4.470 -0.013 0.000 0.284 192 S C 0.391 175.032 174.600 0.068 0.000 1.189 192 S CA -0.217 57.991 58.200 0.014 0.000 0.835 192 S CB 0.412 63.581 63.200 -0.050 0.000 1.192 192 S HN 0.926 nan 8.310 nan 0.000 0.506 193 G N -0.951 107.893 108.800 0.072 0.000 2.684 193 G HA2 0.547 4.499 3.960 -0.013 0.000 0.255 193 G HA3 0.547 4.499 3.960 -0.013 0.000 0.255 193 G C 0.380 175.361 174.900 0.136 0.000 1.219 193 G CA -0.026 45.134 45.100 0.099 0.000 0.901 193 G HN 1.313 nan 8.290 nan 0.000 0.548 194 G N -2.472 106.344 108.800 0.028 0.000 2.933 194 G HA2 0.438 4.390 3.960 -0.013 0.000 0.203 194 G HA3 0.438 4.390 3.960 -0.013 0.000 0.203 194 G C -0.011 174.961 174.900 0.121 0.000 1.170 194 G CA 0.582 45.669 45.100 -0.021 0.000 0.880 194 G HN 0.808 nan 8.290 nan 0.000 0.573 195 V N 0.101 120.176 119.914 0.268 0.000 3.058 195 V HA 0.364 4.476 4.120 -0.013 0.000 0.233 195 V C 2.281 178.511 176.094 0.227 0.000 1.255 195 V CA 1.302 63.722 62.300 0.201 0.000 1.267 195 V CB 0.604 32.533 31.823 0.176 0.000 1.049 195 V HN 0.839 nan 8.190 nan 0.000 0.486 196 A N 1.084 124.094 122.820 0.317 0.000 2.359 196 A HA 0.454 4.766 4.320 -0.013 0.000 0.240 196 A C 0.760 178.424 177.584 0.134 0.000 1.306 196 A CA 0.597 52.710 52.037 0.127 0.000 0.898 196 A CB -0.518 18.493 19.000 0.019 0.000 0.956 196 A HN 0.574 nan 8.150 nan 0.000 0.497 197 S N -1.222 114.630 115.700 0.252 0.000 2.536 197 S HA 0.613 5.075 4.470 -0.013 0.000 0.287 197 S C -2.059 172.658 174.600 0.195 0.000 1.101 197 S CA -1.167 57.211 58.200 0.296 0.000 0.950 197 S CB 2.110 65.481 63.200 0.285 0.000 1.056 197 S HN 0.066 nan 8.310 nan 0.000 0.481 198 P HA -0.018 nan 4.420 nan 0.000 0.220 198 P C 1.216 178.561 177.300 0.076 0.000 1.152 198 P CA 1.358 64.518 63.100 0.099 0.000 0.812 198 P CB -0.253 31.500 31.700 0.089 0.000 0.792 199 T N -3.643 110.956 114.554 0.075 0.000 3.023 199 T HA 0.060 4.402 4.350 -0.013 0.000 0.253 199 T C 0.423 175.151 174.700 0.046 0.000 1.038 199 T CA -0.415 61.713 62.100 0.047 0.000 0.962 199 T CB -0.425 68.460 68.868 0.029 0.000 1.018 199 T HN 0.158 nan 8.240 nan 0.000 0.521 200 D N 1.684 122.126 120.400 0.070 0.000 2.308 200 D HA 0.396 5.028 4.640 -0.013 0.000 0.242 200 D C -3.175 173.162 176.300 0.061 0.000 1.059 200 D CA -2.059 51.980 54.000 0.065 0.000 0.830 200 D CB 2.098 42.949 40.800 0.085 0.000 1.161 200 D HN 0.043 nan 8.370 nan 0.000 0.494 201 P HA 0.088 nan 4.420 nan 0.000 0.271 201 P C 1.299 178.610 177.300 0.019 0.000 1.218 201 P CA -0.608 62.503 63.100 0.018 0.000 0.780 201 P CB 1.279 32.983 31.700 0.005 0.000 0.901 202 I N 2.082 122.646 120.570 -0.009 0.000 2.208 202 I HA -0.316 3.846 4.170 -0.013 0.000 0.245 202 I C 1.562 177.677 176.117 -0.003 0.000 1.097 202 I CA 2.221 63.504 61.300 -0.029 0.000 1.363 202 I CB -0.488 37.418 38.000 -0.157 0.000 1.051 202 I HN 0.347 nan 8.210 nan 0.000 0.413 203 A N 1.795 124.603 122.820 -0.020 0.000 1.969 203 A HA -0.167 4.145 4.320 -0.013 0.000 0.218 203 A C 1.093 178.684 177.584 0.012 0.000 1.169 203 A CA 1.157 53.189 52.037 -0.009 0.000 0.635 203 A CB -1.004 17.983 19.000 -0.021 0.000 0.810 203 A HN 0.797 nan 8.150 nan 0.000 0.445 204 N N 0.748 119.457 118.700 0.016 0.000 2.530 204 N HA 0.242 4.974 4.740 -0.013 0.000 0.277 204 N C -0.265 175.261 175.510 0.026 0.000 1.168 204 N CA 0.297 53.358 53.050 0.018 0.000 0.979 204 N CB 0.499 38.994 38.487 0.014 0.000 1.141 204 N HN 0.224 nan 8.380 nan 0.000 0.459 205 T N -1.023 113.546 114.554 0.026 0.000 2.907 205 T HA 0.137 4.479 4.350 -0.013 0.000 0.298 205 T C -0.055 174.665 174.700 0.034 0.000 1.017 205 T CA -0.527 61.594 62.100 0.034 0.000 1.118 205 T CB 1.129 70.021 68.868 0.039 0.000 0.948 205 T HN 0.548 nan 8.240 nan 0.000 0.531 206 Q N 0.973 120.801 119.800 0.047 0.000 2.301 206 Q HA 0.530 4.862 4.340 -0.013 0.000 0.267 206 Q C -1.201 174.857 176.000 0.097 0.000 1.035 206 Q CA -0.967 54.842 55.803 0.010 0.000 0.856 206 Q CB 1.740 30.462 28.738 -0.028 0.000 1.337 206 Q HN 0.831 nan 8.270 nan 0.000 0.450 207 Y N -0.895 119.423 120.300 0.030 0.000 2.508 207 Y HA -0.325 4.217 4.550 -0.013 0.000 0.021 207 Y C 0.120 176.030 175.900 0.017 0.000 1.704 207 Y CA 0.359 58.471 58.100 0.021 0.000 1.418 207 Y CB -0.501 37.973 38.460 0.023 0.000 2.063 207 Y HN 0.761 nan 8.280 nan 0.000 0.254 208 S N 0.477 116.315 115.700 0.231 0.000 2.672 208 S HA 0.345 4.808 4.470 -0.013 0.000 0.276 208 S C 0.642 175.290 174.600 0.081 0.000 1.207 208 S CA -0.241 58.029 58.200 0.116 0.000 1.002 208 S CB 1.877 65.127 63.200 0.084 0.000 0.998 208 S HN 0.704 nan 8.310 nan 0.000 0.542 209 E N 0.705 120.934 120.200 0.048 0.000 2.077 209 E HA -0.176 4.167 4.350 -0.013 0.000 0.193 209 E C 1.095 177.696 176.600 0.003 0.000 0.989 209 E CA 1.694 58.108 56.400 0.024 0.000 0.800 209 E CB -0.256 29.456 29.700 0.019 0.000 0.746 209 E HN 0.732 nan 8.360 nan 0.000 0.452 210 D N 0.689 121.092 120.400 0.006 0.000 2.123 210 D HA -0.166 4.466 4.640 -0.013 0.000 0.196 210 D C 1.679 177.962 176.300 -0.028 0.000 0.992 210 D CA 1.091 55.087 54.000 -0.006 0.000 0.833 210 D CB -0.151 40.651 40.800 0.004 0.000 0.954 210 D HN 0.209 nan 8.370 nan 0.000 0.455 211 E N -0.127 120.057 120.200 -0.028 0.000 2.077 211 E HA -0.125 4.217 4.350 -0.013 0.000 0.193 211 E C 2.198 178.687 176.600 -0.186 0.000 0.989 211 E CA 0.644 56.986 56.400 -0.097 0.000 0.800 211 E CB -0.071 29.594 29.700 -0.059 0.000 0.746 211 E HN 0.339 nan 8.360 nan 0.000 0.452 212 I N 0.509 120.993 120.570 -0.143 0.000 2.252 212 I HA -0.243 3.919 4.170 -0.013 0.000 0.245 212 I C 2.511 178.573 176.117 -0.092 0.000 1.102 212 I CA 0.931 62.149 61.300 -0.136 0.000 1.385 212 I CB -0.237 37.728 38.000 -0.058 0.000 1.064 212 I HN -0.007 nan 8.210 nan 0.000 0.414 213 R N 0.877 121.339 120.500 -0.063 0.000 2.083 213 R HA -0.178 4.154 4.340 -0.013 0.000 0.237 213 R C 2.497 178.764 176.300 -0.055 0.000 1.137 213 R CA 1.717 57.788 56.100 -0.049 0.000 0.951 213 R CB -0.514 29.766 30.300 -0.034 0.000 0.851 213 R HN 0.400 nan 8.270 nan 0.000 0.434 214 A N 0.845 123.626 122.820 -0.064 0.000 1.933 214 A HA -0.152 4.160 4.320 -0.013 0.000 0.218 214 A C 2.118 179.657 177.584 -0.075 0.000 1.175 214 A CA 1.286 53.285 52.037 -0.063 0.000 0.628 214 A CB -0.442 18.520 19.000 -0.063 0.000 0.814 214 A HN 0.218 nan 8.150 nan 0.000 0.444 215 I N -0.723 119.783 120.570 -0.106 0.000 2.252 215 I HA -0.180 3.982 4.170 -0.013 0.000 0.245 215 I C 2.316 178.389 176.117 -0.073 0.000 1.102 215 I CA 0.950 62.185 61.300 -0.109 0.000 1.385 215 I CB -0.229 37.670 38.000 -0.168 0.000 1.064 215 I HN 0.143 nan 8.210 nan 0.000 0.414 216 V N 0.627 120.505 119.914 -0.061 0.000 2.407 216 V HA -0.287 3.825 4.120 -0.013 0.000 0.248 216 V C 2.061 178.139 176.094 -0.026 0.000 1.055 216 V CA 1.870 64.150 62.300 -0.033 0.000 1.049 216 V CB -0.650 31.156 31.823 -0.028 0.000 0.662 216 V HN 0.389 nan 8.190 nan 0.000 0.455 217 D N -0.123 120.258 120.400 -0.033 0.000 2.104 217 D HA -0.149 4.483 4.640 -0.013 0.000 0.194 217 D C 2.291 178.576 176.300 -0.025 0.000 0.994 217 D CA 1.180 55.165 54.000 -0.026 0.000 0.830 217 D CB -0.127 40.656 40.800 -0.028 0.000 0.959 217 D HN 0.399 nan 8.370 nan 0.000 0.452 218 E N 0.134 120.314 120.200 -0.034 0.000 2.216 218 E HA 0.010 4.352 4.350 -0.013 0.000 0.192 218 E C 1.974 178.555 176.600 -0.032 0.000 0.988 218 E CA 0.475 56.854 56.400 -0.034 0.000 0.834 218 E CB -0.093 29.582 29.700 -0.042 0.000 0.772 218 E HN 0.209 nan 8.360 nan 0.000 0.479 219 A N 1.432 124.231 122.820 -0.034 0.000 1.897 219 A HA -0.160 4.152 4.320 -0.013 0.000 0.215 219 A C 2.047 179.626 177.584 -0.008 0.000 1.181 219 A CA 1.172 53.189 52.037 -0.034 0.000 0.620 219 A CB -0.336 18.639 19.000 -0.041 0.000 0.821 219 A HN 0.153 nan 8.150 nan 0.000 0.443 220 E N -0.196 120.006 120.200 0.004 0.000 2.077 220 E HA -0.127 4.215 4.350 -0.013 0.000 0.193 220 E C 2.138 178.743 176.600 0.008 0.000 0.989 220 E CA 0.950 57.359 56.400 0.016 0.000 0.800 220 E CB -0.267 29.441 29.700 0.013 0.000 0.746 220 E HN 0.596 nan 8.360 nan 0.000 0.452 221 A N 0.739 123.558 122.820 -0.003 0.000 2.172 221 A HA 0.047 4.359 4.320 -0.013 0.000 0.216 221 A C 1.868 179.448 177.584 -0.005 0.000 1.154 221 A CA 1.237 53.271 52.037 -0.005 0.000 0.701 221 A CB -0.066 18.927 19.000 -0.011 0.000 0.789 221 A HN 0.215 nan 8.150 nan 0.000 0.465 222 A N -0.667 122.149 122.820 -0.006 0.000 2.574 222 A HA 0.411 4.723 4.320 -0.013 0.000 0.283 222 A C 0.377 177.965 177.584 0.007 0.000 1.270 222 A CA -0.180 51.854 52.037 -0.006 0.000 0.945 222 A CB -0.259 18.731 19.000 -0.018 0.000 1.127 222 A HN 0.345 nan 8.150 nan 0.000 0.522 223 N N 0.211 118.921 118.700 0.017 0.000 2.725 223 N HA -0.136 4.596 4.740 -0.013 0.000 0.251 223 N C 0.028 175.570 175.510 0.054 0.000 1.031 223 N CA 1.714 54.784 53.050 0.034 0.000 0.720 223 N CB -1.468 37.039 38.487 0.033 0.000 0.930 223 N HN 0.690 nan 8.380 nan 0.000 0.543 224 T N -1.842 112.743 114.554 0.052 0.000 2.598 224 T HA 0.701 5.043 4.350 -0.013 0.000 0.289 224 T C -1.505 173.266 174.700 0.119 0.000 1.056 224 T CA -0.372 61.775 62.100 0.079 0.000 1.088 224 T CB 1.026 69.873 68.868 -0.034 0.000 1.519 224 T HN 0.210 nan 8.240 nan 0.000 0.488 225 Y N -1.256 119.035 120.300 -0.015 0.000 2.705 225 Y HA 0.864 5.406 4.550 -0.013 0.000 0.332 225 Y C -1.523 174.367 175.900 -0.017 0.000 1.157 225 Y CA -1.261 56.828 58.100 -0.018 0.000 1.091 225 Y CB 0.813 39.256 38.460 -0.028 0.000 1.301 225 Y HN 0.348 nan 8.280 nan 0.000 0.488 226 V N 3.529 123.544 119.914 0.169 0.000 2.448 226 V HA 0.387 4.499 4.120 -0.013 0.000 0.295 226 V C -0.188 176.016 176.094 0.182 0.000 1.025 226 V CA -0.945 61.394 62.300 0.066 0.000 0.859 226 V CB 1.389 33.232 31.823 0.034 0.000 0.988 226 V HN 0.809 nan 8.190 nan 0.000 0.431 227 M N 3.562 123.228 119.600 0.110 0.000 2.157 227 M HA 0.891 5.363 4.480 -0.013 0.000 0.354 227 M C -0.303 176.067 176.300 0.117 0.000 1.170 227 M CA -0.313 55.070 55.300 0.140 0.000 1.060 227 M CB 1.417 34.088 32.600 0.119 0.000 1.615 227 M HN 0.557 nan 8.290 nan 0.000 0.460 228 A N 1.939 124.837 122.820 0.130 0.000 2.342 228 A HA 0.529 4.841 4.320 -0.013 0.000 0.323 228 A C -1.224 176.467 177.584 0.179 0.000 1.125 228 A CA -0.660 51.462 52.037 0.142 0.000 0.785 228 A CB 0.572 19.632 19.000 0.101 0.000 1.221 228 A HN 0.936 nan 8.150 nan 0.000 0.463 229 H N 1.649 120.799 119.070 0.133 0.000 2.782 229 H HA 0.643 5.191 4.556 -0.014 0.000 0.285 229 H C -0.232 175.100 175.328 0.007 0.000 1.093 229 H CA 0.493 56.618 56.048 0.129 0.000 1.410 229 H CB 0.536 30.418 29.762 0.200 0.000 1.439 229 H HN 0.825 nan 8.280 nan 0.000 0.469 230 A N 4.697 127.230 122.820 -0.479 0.000 2.515 230 A HA 0.474 4.787 4.320 -0.013 0.000 0.298 230 A C -1.366 175.936 177.584 -0.469 0.000 1.059 230 A CA -0.658 51.123 52.037 -0.425 0.000 0.698 230 A CB 0.774 19.702 19.000 -0.121 0.000 1.289 230 A HN 0.687 nan 8.150 nan 0.000 0.404 231 Y N 0.476 120.672 120.300 -0.172 0.000 2.808 231 Y HA 0.183 4.726 4.550 -0.011 0.000 0.244 231 Y C 2.001 177.870 175.900 -0.052 0.000 1.033 231 Y CA 1.211 59.251 58.100 -0.100 0.000 1.415 231 Y CB -0.343 38.034 38.460 -0.139 0.000 1.420 231 Y HN 0.742 nan 8.280 nan 0.000 0.484 232 T N -1.037 113.593 114.554 0.126 0.000 2.860 232 T HA 0.286 4.628 4.350 -0.013 0.000 0.299 232 T C 1.590 176.318 174.700 0.047 0.000 1.045 232 T CA 0.037 62.173 62.100 0.060 0.000 1.071 232 T CB 1.349 70.237 68.868 0.032 0.000 0.985 232 T HN 0.431 nan 8.240 nan 0.000 0.537 233 G N 0.642 109.462 108.800 0.033 0.000 2.422 233 G HA2 -0.226 3.726 3.960 -0.013 0.000 0.218 233 G HA3 -0.226 3.726 3.960 -0.013 0.000 0.218 233 G C 1.532 176.453 174.900 0.035 0.000 1.146 233 G CA 0.764 45.884 45.100 0.034 0.000 0.769 233 G HN 0.886 nan 8.290 nan 0.000 0.547 234 R N 0.605 121.122 120.500 0.027 0.000 2.075 234 R HA 0.088 4.420 4.340 -0.013 0.000 0.232 234 R C 2.766 179.086 176.300 0.032 0.000 1.126 234 R CA 1.518 57.635 56.100 0.028 0.000 0.963 234 R CB -0.477 29.836 30.300 0.021 0.000 0.858 234 R HN 0.232 nan 8.270 nan 0.000 0.435 235 A N 1.144 123.983 122.820 0.031 0.000 1.933 235 A HA -0.111 4.201 4.320 -0.013 0.000 0.218 235 A C 2.172 179.775 177.584 0.032 0.000 1.175 235 A CA 1.354 53.408 52.037 0.028 0.000 0.628 235 A CB -0.440 18.569 19.000 0.016 0.000 0.814 235 A HN 0.390 nan 8.150 nan 0.000 0.444 236 I N -0.383 120.210 120.570 0.038 0.000 2.252 236 I HA -0.252 3.910 4.170 -0.013 0.000 0.245 236 I C 2.962 179.116 176.117 0.062 0.000 1.102 236 I CA 0.947 62.279 61.300 0.053 0.000 1.385 236 I CB -0.271 37.775 38.000 0.075 0.000 1.064 236 I HN 0.357 nan 8.210 nan 0.000 0.414 237 A N 1.850 124.706 122.820 0.059 0.000 1.851 237 A HA -0.264 4.048 4.320 -0.013 0.000 0.216 237 A C 2.299 179.917 177.584 0.058 0.000 1.195 237 A CA 2.319 54.394 52.037 0.064 0.000 0.622 237 A CB -0.749 18.283 19.000 0.054 0.000 0.831 237 A HN 0.506 nan 8.150 nan 0.000 0.444 238 R N -0.098 120.429 120.500 0.045 0.000 2.148 238 R HA 0.165 4.497 4.340 -0.013 0.000 0.227 238 R C 2.058 178.376 176.300 0.031 0.000 1.103 238 R CA 1.485 57.608 56.100 0.037 0.000 0.983 238 R CB -0.761 29.561 30.300 0.037 0.000 0.874 238 R HN 0.348 nan 8.270 nan 0.000 0.451 239 A N 1.347 124.189 122.820 0.037 0.000 1.855 239 A HA -0.028 4.284 4.320 -0.013 0.000 0.215 239 A C 2.393 179.987 177.584 0.016 0.000 1.191 239 A CA 1.485 53.541 52.037 0.032 0.000 0.613 239 A CB -0.613 18.414 19.000 0.045 0.000 0.829 239 A HN 0.148 nan 8.150 nan 0.000 0.442 240 V N 0.065 119.997 119.914 0.030 0.000 2.515 240 V HA -0.219 3.893 4.120 -0.013 0.000 0.250 240 V C 2.570 178.615 176.094 -0.082 0.000 1.058 240 V CA 2.098 64.406 62.300 0.013 0.000 1.064 240 V CB -0.903 30.980 31.823 0.100 0.000 0.675 240 V HN 0.635 nan 8.190 nan 0.000 0.461 241 R N -0.345 120.139 120.500 -0.026 0.000 2.105 241 R HA -0.189 4.143 4.340 -0.013 0.000 0.239 241 R C 1.834 178.083 176.300 -0.085 0.000 1.135 241 R CA 2.122 58.192 56.100 -0.049 0.000 0.967 241 R CB -0.388 29.921 30.300 0.016 0.000 0.861 241 R HN 0.552 nan 8.270 nan 0.000 0.442 242 C N -0.411 118.855 119.300 -0.057 0.000 2.697 242 C HA 0.383 4.835 4.460 -0.013 0.000 0.267 242 C C 1.121 176.072 174.990 -0.065 0.000 1.278 242 C CA 0.248 59.235 59.018 -0.052 0.000 1.708 242 C CB -0.269 27.455 27.740 -0.028 0.000 1.860 242 C HN 0.805 nan 8.230 nan 0.000 0.589 243 G N 1.093 109.837 108.800 -0.093 0.000 2.131 243 G HA2 -0.156 3.796 3.960 -0.013 0.000 0.201 243 G HA3 -0.156 3.796 3.960 -0.013 0.000 0.201 243 G C 0.077 174.962 174.900 -0.024 0.000 1.000 243 G CA 0.211 45.258 45.100 -0.090 0.000 0.680 243 G HN 0.928 nan 8.290 nan 0.000 0.514 244 V N -1.762 118.152 119.914 0.000 0.000 2.843 244 V HA 0.647 4.759 4.120 -0.013 0.000 0.305 244 V C 1.470 177.610 176.094 0.077 0.000 1.065 244 V CA 0.673 63.003 62.300 0.051 0.000 1.116 244 V CB 1.450 33.309 31.823 0.059 0.000 0.968 244 V HN 0.391 nan 8.190 nan 0.000 0.487 245 R N 1.964 122.540 120.500 0.128 0.000 2.074 245 R HA 0.149 4.481 4.340 -0.013 0.000 0.218 245 R C 0.857 177.236 176.300 0.133 0.000 1.137 245 R CA 1.040 57.209 56.100 0.116 0.000 0.998 245 R CB 0.082 30.414 30.300 0.053 0.000 0.895 245 R HN 0.986 nan 8.270 nan 0.000 0.442 246 T N -0.796 113.837 114.554 0.131 0.000 2.855 246 T HA 0.498 4.840 4.350 -0.013 0.000 0.281 246 T C -0.135 174.629 174.700 0.107 0.000 1.007 246 T CA -0.855 61.313 62.100 0.114 0.000 1.009 246 T CB 1.903 70.800 68.868 0.047 0.000 0.983 246 T HN -0.080 nan 8.240 nan 0.000 0.455 247 I N 2.952 123.567 120.570 0.075 0.000 2.330 247 I HA 0.331 4.493 4.170 -0.013 0.000 0.289 247 I C 0.113 176.247 176.117 0.029 0.000 1.001 247 I CA -0.720 60.611 61.300 0.052 0.000 1.193 247 I CB 1.446 39.467 38.000 0.035 0.000 1.345 247 I HN 0.724 nan 8.210 nan 0.000 0.461 248 E N 6.654 126.889 120.200 0.058 0.000 2.283 248 E HA 0.275 4.617 4.350 -0.013 0.000 0.278 248 E C 0.626 177.193 176.600 -0.056 0.000 1.027 248 E CA -0.241 56.153 56.400 -0.010 0.000 0.843 248 E CB 0.923 30.731 29.700 0.180 0.000 1.062 248 E HN 0.512 nan 8.360 nan 0.000 0.401 249 H N 2.017 121.073 119.070 -0.024 0.000 1.472 249 H HA -0.308 4.240 4.556 -0.014 0.000 0.090 249 H C 1.016 176.389 175.328 0.075 0.000 0.607 249 H CA 1.577 57.632 56.048 0.013 0.000 1.899 249 H CB -1.386 28.334 29.762 -0.069 0.000 2.254 249 H HN 0.850 nan 8.280 nan 0.000 0.961 250 G N 1.648 110.540 108.800 0.154 0.000 2.246 250 G HA2 -0.338 3.615 3.960 -0.013 0.000 0.273 250 G HA3 -0.338 3.615 3.960 -0.013 0.000 0.273 250 G C 0.565 175.634 174.900 0.282 0.000 1.055 250 G CA 1.120 46.346 45.100 0.210 0.000 0.851 250 G HN 0.636 nan 8.290 nan 0.000 0.500 251 N N -0.460 118.429 118.700 0.315 0.000 2.381 251 N HA 0.057 4.789 4.740 -0.013 0.000 0.182 251 N C 1.256 176.804 175.510 0.064 0.000 1.025 251 N CA 1.033 54.195 53.050 0.187 0.000 0.888 251 N CB -0.022 38.533 38.487 0.112 0.000 0.965 251 N HN 0.596 nan 8.380 nan 0.000 0.438 252 L N 1.029 122.304 121.223 0.087 0.000 2.719 252 L HA 0.380 4.712 4.340 -0.013 0.000 0.236 252 L C -0.694 176.180 176.870 0.006 0.000 1.221 252 L CA -0.735 54.111 54.840 0.009 0.000 1.048 252 L CB 0.179 42.234 42.059 -0.006 0.000 1.364 252 L HN -0.145 nan 8.230 nan 0.000 0.447 253 V N -2.278 117.614 119.914 -0.037 0.000 2.539 253 V HA 0.475 4.587 4.120 -0.013 0.000 0.292 253 V C 0.053 176.100 176.094 -0.079 0.000 1.045 253 V CA -0.814 61.453 62.300 -0.054 0.000 0.945 253 V CB 1.546 33.289 31.823 -0.134 0.000 0.993 253 V HN 0.446 nan 8.190 nan 0.000 0.464 254 D N 3.156 123.529 120.400 -0.045 0.000 2.387 254 D HA 0.151 4.783 4.640 -0.013 0.000 0.255 254 D C 0.853 177.124 176.300 -0.047 0.000 1.081 254 D CA -0.416 53.556 54.000 -0.047 0.000 0.994 254 D CB 1.494 42.279 40.800 -0.025 0.000 1.127 254 D HN 0.683 nan 8.370 nan 0.000 0.513 255 E N -0.075 120.098 120.200 -0.045 0.000 2.274 255 E HA -0.119 4.223 4.350 -0.013 0.000 0.194 255 E C 1.486 178.078 176.600 -0.015 0.000 0.996 255 E CA 0.708 57.085 56.400 -0.038 0.000 0.840 255 E CB -0.285 29.389 29.700 -0.043 0.000 0.772 255 E HN 0.487 nan 8.360 nan 0.000 0.491 256 A N 1.576 124.391 122.820 -0.008 0.000 1.970 256 A HA 0.261 4.573 4.320 -0.013 0.000 0.216 256 A C 2.446 180.043 177.584 0.021 0.000 1.170 256 A CA 1.363 53.401 52.037 0.003 0.000 0.645 256 A CB -0.437 18.564 19.000 0.001 0.000 0.816 256 A HN 0.379 nan 8.150 nan 0.000 0.447 257 A N 0.088 122.925 122.820 0.028 0.000 1.898 257 A HA 0.209 4.521 4.320 -0.013 0.000 0.216 257 A C 2.464 180.099 177.584 0.084 0.000 1.181 257 A CA 1.854 53.924 52.037 0.055 0.000 0.620 257 A CB -0.946 18.086 19.000 0.054 0.000 0.819 257 A HN 0.981 nan 8.150 nan 0.000 0.442 258 A N -0.552 122.317 122.820 0.082 0.000 1.969 258 A HA -0.127 4.185 4.320 -0.013 0.000 0.218 258 A C 2.133 179.779 177.584 0.103 0.000 1.169 258 A CA 1.800 53.917 52.037 0.133 0.000 0.635 258 A CB -0.389 18.673 19.000 0.102 0.000 0.810 258 A HN 0.494 nan 8.150 nan 0.000 0.445 259 K N -0.823 119.609 120.400 0.052 0.000 2.025 259 K HA -0.106 4.206 4.320 -0.013 0.000 0.207 259 K C 1.884 178.509 176.600 0.042 0.000 1.049 259 K CA 1.462 57.769 56.287 0.033 0.000 0.933 259 K CB -0.268 32.232 32.500 -0.001 0.000 0.714 259 K HN 0.380 nan 8.250 nan 0.000 0.438 260 L N 1.164 122.405 121.223 0.030 0.000 2.141 260 L HA -0.098 4.234 4.340 -0.013 0.000 0.209 260 L C 2.174 179.059 176.870 0.026 0.000 1.094 260 L CA 1.370 56.207 54.840 -0.006 0.000 0.763 260 L CB -0.171 41.921 42.059 0.055 0.000 0.908 260 L HN 0.232 nan 8.230 nan 0.000 0.437 261 M N -1.788 117.866 119.600 0.090 0.000 2.117 261 M HA -0.238 4.234 4.480 -0.013 0.000 0.262 261 M C 2.301 178.624 176.300 0.037 0.000 1.065 261 M CA 1.829 57.185 55.300 0.093 0.000 1.114 261 M CB -0.546 32.114 32.600 0.100 0.000 1.361 261 M HN 0.408 nan 8.290 nan 0.000 0.408 262 H N 0.373 119.417 119.070 -0.043 0.000 2.357 262 H HA -0.107 4.441 4.556 -0.013 0.000 0.301 262 H C 1.680 176.944 175.328 -0.107 0.000 1.082 262 H CA 1.859 57.859 56.048 -0.080 0.000 1.342 262 H CB 0.130 29.857 29.762 -0.059 0.000 1.389 262 H HN 0.369 nan 8.280 nan 0.000 0.511 263 E N -0.999 119.159 120.200 -0.071 0.000 2.333 263 E HA -0.162 4.180 4.350 -0.013 0.000 0.198 263 E C 0.739 177.116 176.600 -0.372 0.000 1.007 263 E CA 1.108 57.369 56.400 -0.232 0.000 0.845 263 E CB 0.082 29.601 29.700 -0.302 0.000 0.766 263 E HN 0.759 nan 8.360 nan 0.000 0.507 264 H N -1.936 117.097 119.070 -0.060 0.000 2.784 264 H HA 0.246 4.794 4.556 -0.013 0.000 0.273 264 H C 0.880 176.146 175.328 -0.102 0.000 1.112 264 H CA 0.055 56.068 56.048 -0.059 0.000 1.162 264 H CB 1.396 31.146 29.762 -0.020 0.000 1.586 264 H HN 0.199 nan 8.280 nan 0.000 0.548 265 G N 1.224 109.951 108.800 -0.123 0.000 2.203 265 G HA2 -0.325 3.627 3.960 -0.013 0.000 0.263 265 G HA3 -0.325 3.627 3.960 -0.013 0.000 0.263 265 G C 0.424 175.162 174.900 -0.269 0.000 1.012 265 G CA 0.213 45.161 45.100 -0.253 0.000 0.749 265 G HN 0.633 nan 8.290 nan 0.000 0.512 266 A N -0.412 122.338 122.820 -0.116 0.000 2.450 266 A HA 0.678 4.990 4.320 -0.013 0.000 0.255 266 A C 0.331 177.845 177.584 -0.118 0.000 1.096 266 A CA -0.132 51.894 52.037 -0.018 0.000 0.778 266 A CB 0.212 19.247 19.000 0.058 0.000 1.031 266 A HN 0.531 nan 8.150 nan 0.000 0.494 267 F N 1.370 121.264 119.950 -0.093 0.000 2.378 267 F HA 0.490 5.009 4.527 -0.014 0.000 0.319 267 F C 0.491 176.203 175.800 -0.148 0.000 1.155 267 F CA -0.337 57.591 58.000 -0.121 0.000 1.157 267 F CB 1.276 40.198 39.000 -0.129 0.000 1.252 267 F HN 0.262 nan 8.300 nan 0.000 0.550 268 V N 1.965 121.853 119.914 -0.043 0.000 2.656 268 V HA 0.386 4.498 4.120 -0.013 0.000 0.307 268 V C -0.802 175.220 176.094 -0.119 0.000 1.051 268 V CA -0.847 61.344 62.300 -0.182 0.000 0.893 268 V CB 1.973 33.429 31.823 -0.610 0.000 0.999 268 V HN 0.457 nan 8.190 nan 0.000 0.426 269 V N 6.650 126.515 119.914 -0.082 0.000 2.275 269 V HA 0.347 4.459 4.120 -0.013 0.000 0.272 269 V C -2.404 173.608 176.094 -0.137 0.000 1.028 269 V CA -1.793 60.458 62.300 -0.081 0.000 0.810 269 V CB 1.295 33.102 31.823 -0.025 0.000 1.043 269 V HN 0.715 nan 8.190 nan 0.000 0.453 270 P HA 0.277 nan 4.420 nan 0.000 0.274 270 P C 0.152 177.368 177.300 -0.141 0.000 1.231 270 P CA -0.007 63.076 63.100 -0.028 0.000 0.790 270 P CB 0.571 32.304 31.700 0.056 0.000 0.951 271 T N -1.311 113.202 114.554 -0.068 0.000 3.542 271 T HA 0.317 4.659 4.350 -0.013 0.000 0.276 271 T C 0.751 175.370 174.700 -0.135 0.000 1.412 271 T CA -0.462 61.515 62.100 -0.204 0.000 1.664 271 T CB -1.098 67.559 68.868 -0.352 0.000 0.863 271 T HN 0.080 nan 8.240 nan 0.000 0.661 272 L N 0.544 121.762 121.223 -0.009 0.000 2.291 272 L HA 0.091 4.423 4.340 -0.013 0.000 0.214 272 L C 2.589 179.482 176.870 0.040 0.000 1.120 272 L CA 0.342 55.275 54.840 0.155 0.000 0.799 272 L CB -0.391 41.746 42.059 0.129 0.000 0.925 272 L HN 0.435 nan 8.230 nan 0.000 0.446 273 V N -0.626 119.244 119.914 -0.073 0.000 2.809 273 V HA -0.224 3.888 4.120 -0.013 0.000 0.256 273 V C 2.433 178.458 176.094 -0.116 0.000 1.080 273 V CA 2.130 64.406 62.300 -0.040 0.000 1.102 273 V CB 0.040 31.862 31.823 -0.001 0.000 0.705 273 V HN 0.461 nan 8.190 nan 0.000 0.475 274 T N -1.134 113.260 114.554 -0.268 0.000 3.055 274 T HA -0.063 4.279 4.350 -0.013 0.000 0.265 274 T C 1.334 175.839 174.700 -0.325 0.000 1.111 274 T CA 1.159 63.054 62.100 -0.341 0.000 1.118 274 T CB -0.183 68.443 68.868 -0.403 0.000 0.909 274 T HN 0.688 nan 8.240 nan 0.000 0.501 275 Y N 0.641 120.929 120.300 -0.021 0.000 2.503 275 Y HA 0.251 4.795 4.550 -0.011 0.000 0.278 275 Y C 2.032 177.899 175.900 -0.055 0.000 1.111 275 Y CA -0.249 57.833 58.100 -0.029 0.000 1.270 275 Y CB -0.051 38.405 38.460 -0.007 0.000 1.063 275 Y HN 0.194 nan 8.280 nan 0.000 0.548 276 D N -0.310 120.126 120.400 0.060 0.000 2.271 276 D HA 0.038 4.670 4.640 -0.013 0.000 0.206 276 D C 2.156 178.389 176.300 -0.112 0.000 0.967 276 D CA 1.000 55.001 54.000 0.002 0.000 0.867 276 D CB -0.153 40.672 40.800 0.042 0.000 0.960 276 D HN 0.267 nan 8.370 nan 0.000 0.509 277 A N 0.519 123.220 122.820 -0.198 0.000 1.897 277 A HA -0.004 4.308 4.320 -0.013 0.000 0.215 277 A C 2.072 179.496 177.584 -0.267 0.000 1.181 277 A CA 0.612 52.414 52.037 -0.392 0.000 0.620 277 A CB -0.579 18.112 19.000 -0.515 0.000 0.821 277 A HN 0.191 nan 8.150 nan 0.000 0.443 278 L N -0.687 120.450 121.223 -0.144 0.000 2.610 278 L HA 0.034 4.366 4.340 -0.013 0.000 0.232 278 L C 2.336 179.150 176.870 -0.094 0.000 1.149 278 L CA 0.485 55.275 54.840 -0.083 0.000 0.872 278 L CB -0.164 41.883 42.059 -0.020 0.000 0.992 278 L HN 0.406 nan 8.230 nan 0.000 0.447 279 A N -0.795 121.954 122.820 -0.118 0.000 2.251 279 A HA 0.046 4.358 4.320 -0.013 0.000 0.209 279 A C 1.917 179.392 177.584 -0.181 0.000 1.187 279 A CA 0.621 52.592 52.037 -0.110 0.000 0.823 279 A CB 0.044 19.005 19.000 -0.065 0.000 0.846 279 A HN 0.214 nan 8.150 nan 0.000 0.486 280 K N -1.190 119.013 120.400 -0.327 0.000 2.485 280 K HA 0.180 4.492 4.320 -0.013 0.000 0.200 280 K C 0.115 176.397 176.600 -0.531 0.000 1.344 280 K CA 0.566 56.558 56.287 -0.492 0.000 0.948 280 K CB 0.437 32.492 32.500 -0.741 0.000 1.454 280 K HN 0.471 nan 8.250 nan 0.000 0.502 281 H N -0.556 118.414 119.070 -0.167 0.000 2.500 281 H HA 0.388 4.938 4.556 -0.011 0.000 0.243 281 H C 0.738 175.976 175.328 -0.149 0.000 1.318 281 H CA 0.021 55.905 56.048 -0.273 0.000 1.077 281 H CB 0.587 30.060 29.762 -0.481 0.000 1.748 281 H HN 0.269 nan 8.280 nan 0.000 0.556 282 G N 1.008 109.773 108.800 -0.058 0.000 2.607 282 G HA2 -0.096 3.856 3.960 -0.013 0.000 0.215 282 G HA3 -0.096 3.856 3.960 -0.013 0.000 0.215 282 G C 1.619 176.523 174.900 0.007 0.000 1.275 282 G CA 0.815 45.907 45.100 -0.014 0.000 0.842 282 G HN 0.460 nan 8.290 nan 0.000 0.555 283 A N 0.047 122.856 122.820 -0.018 0.000 2.119 283 A HA 0.106 4.418 4.320 -0.013 0.000 0.217 283 A C 2.056 179.631 177.584 -0.017 0.000 1.153 283 A CA 1.759 53.790 52.037 -0.011 0.000 0.692 283 A CB -0.331 18.658 19.000 -0.019 0.000 0.799 283 A HN 0.510 nan 8.150 nan 0.000 0.458 284 E N -1.318 118.843 120.200 -0.066 0.000 2.204 284 E HA -0.132 4.210 4.350 -0.013 0.000 0.194 284 E C 0.065 176.591 176.600 -0.124 0.000 0.989 284 E CA 0.761 57.073 56.400 -0.146 0.000 0.824 284 E CB -0.053 29.488 29.700 -0.265 0.000 0.756 284 E HN 0.560 nan 8.360 nan 0.000 0.477 285 F N -0.585 119.377 119.950 0.020 0.000 2.668 285 F HA 0.324 4.843 4.527 -0.013 0.000 0.297 285 F C 1.268 177.059 175.800 -0.015 0.000 1.124 285 F CA 0.379 58.380 58.000 0.002 0.000 1.353 285 F CB 0.942 39.942 39.000 -0.000 0.000 0.992 285 F HN 0.127 nan 8.300 nan 0.000 0.524 286 G N 0.202 109.091 108.800 0.148 0.000 2.194 286 G HA2 -0.301 3.651 3.960 -0.013 0.000 0.236 286 G HA3 -0.301 3.651 3.960 -0.013 0.000 0.236 286 G C 0.506 175.423 174.900 0.028 0.000 0.987 286 G CA -0.106 45.037 45.100 0.072 0.000 0.635 286 G HN 0.278 nan 8.290 nan 0.000 0.520 287 M N 3.083 122.702 119.600 0.031 0.000 2.188 287 M HA 0.394 4.866 4.480 -0.013 0.000 0.354 287 M C -1.706 174.591 176.300 -0.005 0.000 1.342 287 M CA -1.735 53.563 55.300 -0.004 0.000 1.117 287 M CB 0.631 33.230 32.600 -0.001 0.000 1.670 287 M HN -0.011 nan 8.290 nan 0.000 0.466 288 P HA -0.006 nan 4.420 nan 0.000 0.264 288 P C -2.450 174.847 177.300 -0.005 0.000 1.179 288 P CA -0.690 62.404 63.100 -0.010 0.000 0.763 288 P CB -0.316 31.376 31.700 -0.013 0.000 0.806 289 P HA -0.169 nan 4.420 nan 0.000 0.221 289 P C 1.342 178.639 177.300 -0.004 0.000 1.145 289 P CA 1.353 64.449 63.100 -0.006 0.000 0.795 289 P CB -0.084 31.612 31.700 -0.006 0.000 0.775 290 E N -0.975 119.225 120.200 0.000 0.000 2.371 290 E HA -0.009 4.333 4.350 -0.013 0.000 0.194 290 E C 1.373 177.978 176.600 0.009 0.000 1.012 290 E CA 0.835 57.237 56.400 0.004 0.000 0.860 290 E CB -0.670 29.035 29.700 0.008 0.000 0.811 290 E HN 0.110 nan 8.360 nan 0.000 0.502 291 S N 0.823 116.530 115.700 0.012 0.000 2.387 291 S HA -0.043 4.419 4.470 -0.013 0.000 0.226 291 S C 2.032 176.640 174.600 0.014 0.000 1.026 291 S CA 1.080 59.294 58.200 0.023 0.000 0.972 291 S CB 0.025 63.237 63.200 0.020 0.000 0.814 291 S HN 0.228 nan 8.310 nan 0.000 0.477 292 V N 1.663 121.578 119.914 0.003 0.000 3.041 292 V HA 0.065 4.177 4.120 -0.013 0.000 0.260 292 V C 2.297 178.382 176.094 -0.016 0.000 1.105 292 V CA 1.125 63.422 62.300 -0.006 0.000 1.125 292 V CB -1.195 30.620 31.823 -0.013 0.000 0.730 292 V HN 0.472 nan 8.190 nan 0.000 0.479 293 A N -0.086 122.725 122.820 -0.015 0.000 2.067 293 A HA -0.043 4.269 4.320 -0.013 0.000 0.217 293 A C 2.171 179.735 177.584 -0.033 0.000 1.156 293 A CA 1.112 53.136 52.037 -0.023 0.000 0.683 293 A CB -0.210 18.779 19.000 -0.017 0.000 0.808 293 A HN 0.498 nan 8.150 nan 0.000 0.455 294 K N -1.001 119.381 120.400 -0.030 0.000 2.358 294 K HA 0.250 4.562 4.320 -0.013 0.000 0.197 294 K C 0.990 177.543 176.600 -0.078 0.000 1.025 294 K CA 0.039 56.293 56.287 -0.054 0.000 1.104 294 K CB 0.600 33.078 32.500 -0.038 0.000 0.855 294 K HN 0.208 nan 8.250 nan 0.000 0.531 295 V N 0.274 120.162 119.914 -0.044 0.000 3.506 295 V HA 0.070 4.182 4.120 -0.013 0.000 0.263 295 V C 1.657 177.712 176.094 -0.065 0.000 1.203 295 V CA 0.929 63.212 62.300 -0.028 0.000 1.133 295 V CB 0.345 32.192 31.823 0.040 0.000 0.802 295 V HN 0.291 nan 8.190 nan 0.000 0.459 296 A N 0.053 122.828 122.820 -0.074 0.000 2.014 296 A HA -0.087 4.225 4.320 -0.013 0.000 0.218 296 A C 2.419 179.940 177.584 -0.105 0.000 1.163 296 A CA 1.758 53.750 52.037 -0.075 0.000 0.652 296 A CB -0.321 18.643 19.000 -0.060 0.000 0.808 296 A HN 0.724 nan 8.150 nan 0.000 0.449 297 S N -0.492 115.123 115.700 -0.141 0.000 2.483 297 S HA -0.018 4.444 4.470 -0.013 0.000 0.221 297 S C 1.667 176.130 174.600 -0.229 0.000 1.030 297 S CA 0.854 58.958 58.200 -0.160 0.000 0.925 297 S CB -0.705 62.408 63.200 -0.145 0.000 0.795 297 S HN 0.782 nan 8.310 nan 0.000 0.511 298 V N 1.212 120.924 119.914 -0.336 0.000 2.809 298 V HA -0.095 4.017 4.120 -0.013 0.000 0.256 298 V C 2.450 178.237 176.094 -0.512 0.000 1.080 298 V CA 1.441 63.433 62.300 -0.513 0.000 1.102 298 V CB -1.603 29.734 31.823 -0.811 0.000 0.705 298 V HN 0.717 nan 8.190 nan 0.000 0.475 299 Q N -0.367 119.216 119.800 -0.362 0.000 2.331 299 Q HA -0.054 4.278 4.340 -0.013 0.000 0.203 299 Q C 2.075 178.006 176.000 -0.116 0.000 0.944 299 Q CA 0.782 56.464 55.803 -0.202 0.000 0.892 299 Q CB -0.397 28.307 28.738 -0.058 0.000 0.983 299 Q HN 0.552 nan 8.270 nan 0.000 0.482 300 Q N 1.674 121.400 119.800 -0.124 0.000 1.993 300 Q HA -0.124 4.208 4.340 -0.013 0.000 0.202 300 Q C 1.592 177.546 176.000 -0.077 0.000 0.984 300 Q CA 1.567 57.319 55.803 -0.085 0.000 0.837 300 Q CB -0.254 28.432 28.738 -0.087 0.000 0.902 300 Q HN 0.277 nan 8.270 nan 0.000 0.423 301 K N 0.462 120.804 120.400 -0.097 0.000 2.525 301 K HA 0.032 4.344 4.320 -0.013 0.000 0.192 301 K C 1.769 178.330 176.600 -0.066 0.000 1.029 301 K CA 0.551 56.789 56.287 -0.081 0.000 1.029 301 K CB -0.347 32.100 32.500 -0.089 0.000 0.814 301 K HN 0.304 nan 8.250 nan 0.000 0.503 302 G N 0.410 109.171 108.800 -0.065 0.000 2.421 302 G HA2 -0.265 3.687 3.960 -0.013 0.000 0.216 302 G HA3 -0.265 3.687 3.960 -0.013 0.000 0.216 302 G C 1.479 176.395 174.900 0.027 0.000 1.171 302 G CA 0.550 45.642 45.100 -0.013 0.000 0.775 302 G HN 0.269 nan 8.290 nan 0.000 0.543 303 R N -0.115 120.393 120.500 0.014 0.000 2.119 303 R HA 0.102 4.434 4.340 -0.013 0.000 0.222 303 R C 2.416 178.716 176.300 -0.001 0.000 1.088 303 R CA 0.908 57.020 56.100 0.020 0.000 0.984 303 R CB -0.159 30.153 30.300 0.019 0.000 0.884 303 R HN 0.456 nan 8.270 nan 0.000 0.447 304 E N 0.331 120.516 120.200 -0.026 0.000 2.204 304 E HA -0.147 4.195 4.350 -0.013 0.000 0.194 304 E C 1.524 178.069 176.600 -0.091 0.000 0.989 304 E CA 1.363 57.732 56.400 -0.051 0.000 0.824 304 E CB 0.202 29.868 29.700 -0.058 0.000 0.756 304 E HN 0.347 nan 8.360 nan 0.000 0.477 305 S N 0.107 115.745 115.700 -0.102 0.000 2.387 305 S HA -0.123 4.339 4.470 -0.013 0.000 0.226 305 S C 1.911 176.340 174.600 -0.285 0.000 1.026 305 S CA 0.390 58.444 58.200 -0.243 0.000 0.972 305 S CB -0.252 62.855 63.200 -0.154 0.000 0.814 305 S HN 0.128 nan 8.310 nan 0.000 0.477 306 L N 2.069 123.285 121.223 -0.012 0.000 2.079 306 L HA -0.004 4.328 4.340 -0.013 0.000 0.210 306 L C 2.619 179.531 176.870 0.072 0.000 1.081 306 L CA 1.667 56.584 54.840 0.128 0.000 0.752 306 L CB -0.884 41.242 42.059 0.112 0.000 0.896 306 L HN 0.398 nan 8.230 nan 0.000 0.433 307 E N -0.929 119.266 120.200 -0.008 0.000 2.216 307 E HA -0.100 4.242 4.350 -0.013 0.000 0.192 307 E C 2.244 178.818 176.600 -0.044 0.000 0.988 307 E CA 0.689 57.083 56.400 -0.011 0.000 0.834 307 E CB -0.014 29.675 29.700 -0.019 0.000 0.772 307 E HN 0.486 nan 8.360 nan 0.000 0.479 308 I N 0.146 120.636 120.570 -0.134 0.000 2.439 308 I HA -0.229 3.933 4.170 -0.013 0.000 0.251 308 I C 1.693 177.747 176.117 -0.105 0.000 1.139 308 I CA 0.871 62.069 61.300 -0.170 0.000 1.438 308 I CB -0.199 37.630 38.000 -0.285 0.000 1.085 308 I HN 0.084 nan 8.210 nan 0.000 0.427 309 Y N 1.073 121.374 120.300 0.002 0.000 2.314 309 Y HA -0.036 4.508 4.550 -0.010 0.000 0.293 309 Y C 2.664 178.563 175.900 -0.001 0.000 1.129 309 Y CA 0.536 58.639 58.100 0.005 0.000 1.201 309 Y CB -1.017 37.454 38.460 0.018 0.000 0.999 309 Y HN 0.088 nan 8.280 nan 0.000 0.541 310 A N 0.189 123.094 122.820 0.141 0.000 1.930 310 A HA -0.129 4.183 4.320 -0.013 0.000 0.217 310 A C 1.699 179.301 177.584 0.031 0.000 1.175 310 A CA 1.575 53.657 52.037 0.076 0.000 0.627 310 A CB -0.463 18.571 19.000 0.056 0.000 0.815 310 A HN 0.377 nan 8.150 nan 0.000 0.443 311 N N -0.482 118.224 118.700 0.009 0.000 2.276 311 N HA 0.303 5.035 4.740 -0.013 0.000 0.212 311 N C 0.683 176.166 175.510 -0.045 0.000 1.127 311 N CA 0.834 53.870 53.050 -0.022 0.000 0.834 311 N CB 0.732 39.202 38.487 -0.028 0.000 1.014 311 N HN 0.476 nan 8.380 nan 0.000 0.491 312 A N -0.706 122.095 122.820 -0.032 0.000 2.508 312 A HA 0.496 4.809 4.320 -0.013 0.000 0.250 312 A C 1.274 178.756 177.584 -0.170 0.000 1.208 312 A CA 0.364 52.348 52.037 -0.087 0.000 0.960 312 A CB 0.192 19.186 19.000 -0.011 0.000 1.099 312 A HN 0.142 nan 8.150 nan 0.000 0.542 313 G N -0.246 108.517 108.800 -0.061 0.000 2.198 313 G HA2 -0.159 3.793 3.960 -0.013 0.000 0.257 313 G HA3 -0.159 3.793 3.960 -0.013 0.000 0.257 313 G C 0.045 175.032 174.900 0.145 0.000 1.042 313 G CA 0.203 45.298 45.100 -0.009 0.000 0.791 313 G HN 0.900 nan 8.290 nan 0.000 0.502 314 V N 0.137 120.122 119.914 0.119 0.000 2.461 314 V HA 0.384 4.496 4.120 -0.013 0.000 0.275 314 V C 0.879 176.950 176.094 -0.037 0.000 1.047 314 V CA -0.630 61.705 62.300 0.058 0.000 0.955 314 V CB 1.398 33.272 31.823 0.084 0.000 0.988 314 V HN 0.367 nan 8.190 nan 0.000 0.471 315 K N 4.643 124.956 120.400 -0.145 0.000 2.401 315 K HA 0.362 4.674 4.320 -0.013 0.000 0.278 315 K C -0.350 176.220 176.600 -0.050 0.000 1.018 315 K CA 0.570 56.791 56.287 -0.110 0.000 0.981 315 K CB 0.336 32.682 32.500 -0.257 0.000 0.933 315 K HN 0.581 nan 8.250 nan 0.000 0.477 316 M N 2.076 121.686 119.600 0.016 0.000 2.134 316 M HA 0.312 4.784 4.480 -0.013 0.000 0.310 316 M C -0.081 176.259 176.300 0.067 0.000 0.966 316 M CA -0.535 54.766 55.300 0.002 0.000 0.922 316 M CB 2.005 34.605 32.600 0.001 0.000 1.537 316 M HN 0.773 nan 8.290 nan 0.000 0.424 317 G N 2.406 111.242 108.800 0.060 0.000 2.400 317 G HA2 0.440 4.393 3.960 -0.013 0.000 0.301 317 G HA3 0.440 4.393 3.960 -0.013 0.000 0.301 317 G C -1.157 173.791 174.900 0.080 0.000 1.154 317 G CA -0.416 44.734 45.100 0.083 0.000 0.852 317 G HN 0.635 nan 8.290 nan 0.000 0.511 318 F N 1.353 121.284 119.950 -0.032 0.000 2.471 318 F HA 0.528 5.048 4.527 -0.012 0.000 0.353 318 F C 0.685 176.459 175.800 -0.043 0.000 1.113 318 F CA 0.739 58.694 58.000 -0.076 0.000 1.262 318 F CB 1.115 40.043 39.000 -0.119 0.000 1.146 318 F HN 0.600 nan 8.300 nan 0.000 0.578 319 G N 2.611 111.121 108.800 -0.483 0.000 2.768 319 G HA2 0.392 4.344 3.960 -0.013 0.000 0.297 319 G HA3 0.392 4.344 3.960 -0.013 0.000 0.297 319 G C -0.705 173.936 174.900 -0.431 0.000 1.430 319 G CA -0.160 44.785 45.100 -0.259 0.000 1.030 319 G HN 0.785 nan 8.290 nan 0.000 0.553 320 S N 0.757 116.325 115.700 -0.220 0.000 2.510 320 S HA 0.189 4.651 4.470 -0.013 0.000 0.230 320 S C 0.894 175.405 174.600 -0.149 0.000 1.066 320 S CA 1.085 59.170 58.200 -0.191 0.000 0.941 320 S CB 0.027 63.179 63.200 -0.080 0.000 0.829 320 S HN 1.008 nan 8.310 nan 0.000 0.530 321 D N 0.617 120.986 120.400 -0.052 0.000 2.772 321 D HA -0.127 4.505 4.640 -0.013 0.000 0.233 321 D C -1.013 175.278 176.300 -0.014 0.000 1.143 321 D CA 0.307 54.331 54.000 0.041 0.000 0.700 321 D CB -1.964 38.816 40.800 -0.034 0.000 1.076 321 D HN 0.517 nan 8.370 nan 0.000 0.430 322 L N 0.473 121.639 121.223 -0.094 0.000 2.276 322 L HA 0.431 4.763 4.340 -0.013 0.000 0.286 322 L C 0.567 177.155 176.870 -0.471 0.000 1.061 322 L CA -0.722 53.976 54.840 -0.236 0.000 0.807 322 L CB 1.032 42.970 42.059 -0.203 0.000 1.177 322 L HN 0.028 nan 8.230 nan 0.000 0.429 323 L N 3.180 124.219 121.223 -0.307 0.000 2.307 323 L HA 0.731 5.063 4.340 -0.013 0.000 0.282 323 L C 1.082 177.792 176.870 -0.267 0.000 1.051 323 L CA -0.343 54.344 54.840 -0.255 0.000 0.804 323 L CB 1.065 43.052 42.059 -0.120 0.000 1.197 323 L HN 0.848 nan 8.230 nan 0.000 0.431 324 G N 2.173 110.879 108.800 -0.157 0.000 2.556 324 G HA2 -0.296 3.656 3.960 -0.013 0.000 0.283 324 G HA3 -0.296 3.656 3.960 -0.013 0.000 0.283 324 G C 0.717 175.583 174.900 -0.057 0.000 1.177 324 G CA 0.360 45.416 45.100 -0.073 0.000 0.978 324 G HN 0.793 nan 8.290 nan 0.000 0.554 325 E N 0.598 120.640 120.200 -0.264 0.000 2.418 325 E HA 0.058 4.400 4.350 -0.013 0.000 0.197 325 E C 2.451 178.964 176.600 -0.144 0.000 1.026 325 E CA 1.123 57.337 56.400 -0.310 0.000 0.862 325 E CB -0.128 29.133 29.700 -0.733 0.000 0.799 325 E HN 0.642 nan 8.360 nan 0.000 0.518 326 M N 0.570 120.101 119.600 -0.115 0.000 2.682 326 M HA 0.027 4.499 4.480 -0.013 0.000 0.235 326 M C 1.149 177.528 176.300 0.132 0.000 1.114 326 M CA 0.424 55.763 55.300 0.065 0.000 1.053 326 M CB -0.373 32.191 32.600 -0.061 0.000 1.599 326 M HN 0.131 nan 8.290 nan 0.000 0.520 327 H N -0.322 118.804 119.070 0.093 0.000 2.489 327 H HA -0.041 4.508 4.556 -0.012 0.000 0.293 327 H C 2.081 177.486 175.328 0.129 0.000 1.066 327 H CA 1.220 57.319 56.048 0.085 0.000 1.305 327 H CB 0.256 30.035 29.762 0.028 0.000 1.386 327 H HN 0.478 nan 8.280 nan 0.000 0.551 328 A N -0.005 122.987 122.820 0.287 0.000 2.121 328 A HA -0.119 4.193 4.320 -0.013 0.000 0.218 328 A C 1.188 178.862 177.584 0.151 0.000 1.154 328 A CA 0.825 52.973 52.037 0.184 0.000 0.679 328 A CB -0.519 18.546 19.000 0.108 0.000 0.795 328 A HN 0.334 nan 8.150 nan 0.000 0.458 329 F N -0.100 119.913 119.950 0.105 0.000 2.773 329 F HA 0.080 4.599 4.527 -0.014 0.000 0.304 329 F C 2.119 177.989 175.800 0.118 0.000 1.129 329 F CA 0.456 58.522 58.000 0.110 0.000 1.378 329 F CB -0.214 38.843 39.000 0.095 0.000 1.095 329 F HN 0.364 nan 8.300 nan 0.000 0.565 330 Q N -0.225 119.728 119.800 0.255 0.000 2.135 330 Q HA -0.175 4.157 4.340 -0.013 0.000 0.204 330 Q C 1.981 178.198 176.000 0.361 0.000 0.981 330 Q CA 1.832 57.749 55.803 0.191 0.000 0.856 330 Q CB -0.004 28.759 28.738 0.040 0.000 0.902 330 Q HN 0.270 nan 8.270 nan 0.000 0.425 331 S N -0.607 115.354 115.700 0.435 0.000 2.496 331 S HA 0.008 4.470 4.470 -0.013 0.000 0.224 331 S C 1.595 176.504 174.600 0.515 0.000 0.996 331 S CA 0.543 59.109 58.200 0.610 0.000 0.927 331 S CB 0.064 63.520 63.200 0.427 0.000 0.774 331 S HN 0.619 nan 8.310 nan 0.000 0.524 332 G N 1.563 110.564 108.800 0.336 0.000 2.462 332 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.220 332 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.220 332 G C 1.219 176.264 174.900 0.240 0.000 1.121 332 G CA 1.037 46.296 45.100 0.264 0.000 0.758 332 G HN 0.533 nan 8.290 nan 0.000 0.559 333 E N 0.033 120.352 120.200 0.199 0.000 2.204 333 E HA -0.066 4.276 4.350 -0.013 0.000 0.195 333 E C 1.873 178.540 176.600 0.113 0.000 0.990 333 E CA 0.544 56.940 56.400 -0.007 0.000 0.821 333 E CB -0.398 29.035 29.700 -0.446 0.000 0.750 333 E HN 0.432 nan 8.360 nan 0.000 0.477 334 F N 0.563 120.733 119.950 0.367 0.000 2.126 334 F HA -0.100 4.419 4.527 -0.014 0.000 0.299 334 F C 2.599 178.482 175.800 0.139 0.000 1.096 334 F CA 1.642 59.809 58.000 0.279 0.000 1.255 334 F CB -0.308 38.750 39.000 0.097 0.000 0.997 334 F HN 0.031 nan 8.300 nan 0.000 0.479 335 R N 0.491 121.174 120.500 0.306 0.000 2.073 335 R HA -0.105 4.227 4.340 -0.013 0.000 0.229 335 R C 2.258 178.642 176.300 0.139 0.000 1.120 335 R CA 1.417 57.628 56.100 0.185 0.000 0.967 335 R CB -0.458 29.932 30.300 0.151 0.000 0.862 335 R HN 0.277 nan 8.270 nan 0.000 0.436 336 I N 0.272 120.918 120.570 0.127 0.000 2.226 336 I HA -0.278 3.884 4.170 -0.013 0.000 0.245 336 I C 2.427 178.591 176.117 0.079 0.000 1.100 336 I CA 1.380 62.733 61.300 0.089 0.000 1.374 336 I CB -0.232 37.810 38.000 0.070 0.000 1.057 336 I HN 0.142 nan 8.210 nan 0.000 0.413 337 R N 0.535 121.086 120.500 0.085 0.000 2.148 337 R HA -0.007 4.326 4.340 -0.013 0.000 0.223 337 R C 2.415 178.776 176.300 0.101 0.000 1.088 337 R CA 1.121 57.272 56.100 0.083 0.000 0.985 337 R CB -0.249 30.100 30.300 0.083 0.000 0.880 337 R HN 0.359 nan 8.270 nan 0.000 0.451 338 A N 1.300 124.192 122.820 0.121 0.000 1.897 338 A HA -0.145 4.167 4.320 -0.013 0.000 0.215 338 A C 1.767 179.398 177.584 0.078 0.000 1.181 338 A CA 1.081 53.182 52.037 0.106 0.000 0.620 338 A CB -0.190 18.880 19.000 0.117 0.000 0.821 338 A HN 0.258 nan 8.150 nan 0.000 0.443 339 E N -0.343 119.901 120.200 0.073 0.000 2.204 339 E HA -0.097 4.245 4.350 -0.013 0.000 0.195 339 E C 1.692 178.322 176.600 0.049 0.000 0.990 339 E CA 1.226 57.660 56.400 0.057 0.000 0.821 339 E CB -0.092 29.641 29.700 0.055 0.000 0.750 339 E HN 0.466 nan 8.360 nan 0.000 0.477 340 V N -0.019 119.927 119.914 0.054 0.000 2.825 340 V HA -0.020 4.092 4.120 -0.013 0.000 0.246 340 V C 1.519 177.642 176.094 0.048 0.000 1.068 340 V CA 0.979 63.307 62.300 0.047 0.000 1.088 340 V CB 0.138 31.991 31.823 0.049 0.000 0.733 340 V HN 0.208 nan 8.190 nan 0.000 0.468 341 L N -0.326 120.932 121.223 0.059 0.000 3.386 341 L HA 0.631 4.963 4.340 -0.013 0.000 0.307 341 L C 0.765 177.671 176.870 0.060 0.000 1.235 341 L CA 0.342 55.218 54.840 0.060 0.000 1.056 341 L CB 0.697 42.798 42.059 0.070 0.000 1.453 341 L HN 0.423 nan 8.230 nan 0.000 0.615 342 G N 0.585 109.421 108.800 0.060 0.000 2.746 342 G HA2 -0.257 3.695 3.960 -0.013 0.000 0.685 342 G HA3 -0.257 3.695 3.960 -0.013 0.000 0.685 342 G C -0.003 174.939 174.900 0.070 0.000 1.350 342 G CA -0.181 44.953 45.100 0.057 0.000 0.837 342 G HN 0.096 nan 8.290 nan 0.000 0.564 343 N N -0.738 117.999 118.700 0.061 0.000 2.171 343 N HA -0.013 4.719 4.740 -0.013 0.000 0.184 343 N C 2.435 177.990 175.510 0.074 0.000 1.021 343 N CA 1.388 54.478 53.050 0.067 0.000 0.854 343 N CB -0.258 38.254 38.487 0.043 0.000 0.994 343 N HN 0.547 nan 8.380 nan 0.000 0.426 344 L N 1.175 122.434 121.223 0.059 0.000 2.093 344 L HA -0.059 4.273 4.340 -0.013 0.000 0.208 344 L C 2.025 178.941 176.870 0.077 0.000 1.085 344 L CA 1.621 56.496 54.840 0.059 0.000 0.755 344 L CB -0.406 41.678 42.059 0.043 0.000 0.904 344 L HN 0.004 nan 8.230 nan 0.000 0.435 345 E N -0.319 119.929 120.200 0.079 0.000 2.152 345 E HA -0.094 4.248 4.350 -0.013 0.000 0.192 345 E C 2.106 178.777 176.600 0.118 0.000 0.983 345 E CA 1.190 57.643 56.400 0.088 0.000 0.818 345 E CB -0.229 29.517 29.700 0.077 0.000 0.758 345 E HN 0.509 nan 8.360 nan 0.000 0.467 346 A N -0.057 122.848 122.820 0.141 0.000 2.015 346 A HA -0.049 4.263 4.320 -0.013 0.000 0.219 346 A C 2.100 179.843 177.584 0.265 0.000 1.163 346 A CA 0.923 53.083 52.037 0.204 0.000 0.646 346 A CB -0.360 18.780 19.000 0.233 0.000 0.806 346 A HN 0.313 nan 8.150 nan 0.000 0.448 347 L N -1.810 119.538 121.223 0.209 0.000 2.249 347 L HA 0.041 4.373 4.340 -0.013 0.000 0.207 347 L C 2.667 179.631 176.870 0.156 0.000 1.090 347 L CA 0.337 55.298 54.840 0.202 0.000 0.802 347 L CB -0.359 41.771 42.059 0.119 0.000 0.947 347 L HN 0.294 nan 8.230 nan 0.000 0.453 348 R N -0.191 120.383 120.500 0.124 0.000 2.120 348 R HA -0.110 4.222 4.340 -0.013 0.000 0.234 348 R C 2.426 178.793 176.300 0.113 0.000 1.123 348 R CA 1.435 57.597 56.100 0.103 0.000 0.975 348 R CB -0.217 30.134 30.300 0.085 0.000 0.866 348 R HN 0.259 nan 8.270 nan 0.000 0.446 349 S N 0.412 116.192 115.700 0.133 0.000 2.382 349 S HA -0.118 4.344 4.470 -0.013 0.000 0.228 349 S C 1.690 176.384 174.600 0.158 0.000 1.027 349 S CA 1.382 59.674 58.200 0.154 0.000 0.991 349 S CB 0.066 63.384 63.200 0.197 0.000 0.823 349 S HN 0.455 nan 8.310 nan 0.000 0.469 350 A N 0.617 123.491 122.820 0.090 0.000 2.345 350 A HA 0.299 4.611 4.320 -0.013 0.000 0.225 350 A C 1.678 179.332 177.584 0.116 0.000 1.243 350 A CA 0.807 52.849 52.037 0.009 0.000 0.875 350 A CB -0.232 18.539 19.000 -0.380 0.000 0.929 350 A HN 0.570 nan 8.150 nan 0.000 0.502 351 T N -4.718 109.905 114.554 0.115 0.000 3.431 351 T HA 0.004 4.346 4.350 -0.013 0.000 0.207 351 T C 1.910 176.650 174.700 0.066 0.000 0.979 351 T CA 1.242 63.401 62.100 0.098 0.000 1.141 351 T CB -0.817 68.112 68.868 0.102 0.000 1.278 351 T HN 0.276 nan 8.240 nan 0.000 0.334 352 T N 1.125 115.719 114.554 0.066 0.000 2.851 352 T HA 0.047 4.389 4.350 -0.013 0.000 0.262 352 T C 2.074 176.811 174.700 0.062 0.000 1.043 352 T CA 1.279 63.411 62.100 0.054 0.000 1.140 352 T CB -1.034 67.866 68.868 0.054 0.000 0.872 352 T HN 0.207 nan 8.240 nan 0.000 0.446 353 V N 2.323 122.287 119.914 0.084 0.000 2.379 353 V HA 0.041 4.153 4.120 -0.013 0.000 0.245 353 V C 3.292 179.421 176.094 0.058 0.000 1.044 353 V CA 1.318 63.689 62.300 0.119 0.000 1.036 353 V CB -1.499 30.408 31.823 0.141 0.000 0.664 353 V HN 0.652 nan 8.190 nan 0.000 0.453 354 A N 0.458 123.303 122.820 0.041 0.000 1.908 354 A HA -0.162 4.150 4.320 -0.013 0.000 0.218 354 A C 2.421 179.952 177.584 -0.089 0.000 1.181 354 A CA 2.277 54.311 52.037 -0.005 0.000 0.627 354 A CB -0.821 18.214 19.000 0.058 0.000 0.818 354 A HN 0.582 nan 8.150 nan 0.000 0.445 355 A N -0.735 122.053 122.820 -0.054 0.000 1.969 355 A HA -0.140 4.172 4.320 -0.013 0.000 0.218 355 A C 1.997 179.498 177.584 -0.138 0.000 1.169 355 A CA 1.716 53.703 52.037 -0.084 0.000 0.635 355 A CB -0.456 18.529 19.000 -0.025 0.000 0.810 355 A HN 0.674 nan 8.150 nan 0.000 0.445 356 E N -0.194 119.934 120.200 -0.119 0.000 2.106 356 E HA -0.131 4.211 4.350 -0.013 0.000 0.192 356 E C 1.798 178.141 176.600 -0.428 0.000 0.984 356 E CA 0.955 57.264 56.400 -0.152 0.000 0.806 356 E CB -0.196 29.527 29.700 0.038 0.000 0.750 356 E HN 0.681 nan 8.360 nan 0.000 0.458 357 I N 0.765 120.979 120.570 -0.594 0.000 2.163 357 I HA -0.236 3.926 4.170 -0.013 0.000 0.243 357 I C 2.137 177.893 176.117 -0.601 0.000 1.085 357 I CA 1.148 61.945 61.300 -0.838 0.000 1.347 357 I CB -0.156 37.483 38.000 -0.602 0.000 1.044 357 I HN 0.135 nan 8.210 nan 0.000 0.408 358 V N -1.592 118.049 119.914 -0.455 0.000 3.620 358 V HA 0.201 4.313 4.120 -0.013 0.000 0.286 358 V C 0.245 176.138 176.094 -0.335 0.000 1.288 358 V CA -0.008 61.986 62.300 -0.510 0.000 1.178 358 V CB -1.503 29.639 31.823 -1.135 0.000 0.986 358 V HN 0.598 nan 8.190 nan 0.000 0.431 359 N N 0.507 119.059 118.700 -0.246 0.000 2.735 359 N HA -0.175 4.557 4.740 -0.013 0.000 0.248 359 N C 0.190 175.664 175.510 -0.060 0.000 1.083 359 N CA 1.339 54.317 53.050 -0.120 0.000 0.703 359 N CB -1.100 37.362 38.487 -0.043 0.000 1.005 359 N HN 0.530 nan 8.380 nan 0.000 0.550 360 M N -0.178 119.372 119.600 -0.083 0.000 2.869 360 M HA 0.097 4.569 4.480 -0.013 0.000 0.353 360 M C 0.356 176.648 176.300 -0.012 0.000 1.224 360 M CA -0.160 55.131 55.300 -0.016 0.000 0.917 360 M CB 0.122 32.728 32.600 0.011 0.000 1.322 360 M HN 0.195 nan 8.290 nan 0.000 0.516 361 Q N 0.310 120.099 119.800 -0.018 0.000 2.313 361 Q HA 0.397 4.730 4.340 -0.013 0.000 0.266 361 Q C 0.828 176.834 176.000 0.009 0.000 0.989 361 Q CA 1.211 57.012 55.803 -0.003 0.000 0.890 361 Q CB 0.728 29.467 28.738 0.001 0.000 1.200 361 Q HN 0.676 nan 8.270 nan 0.000 0.396 362 G N 2.755 111.562 108.800 0.012 0.000 2.284 362 G HA2 -0.384 3.568 3.960 -0.013 0.000 0.247 362 G HA3 -0.384 3.568 3.960 -0.013 0.000 0.247 362 G C 0.848 175.758 174.900 0.016 0.000 1.012 362 G CA 0.630 45.738 45.100 0.014 0.000 0.618 362 G HN 0.564 nan 8.290 nan 0.000 0.521 363 Q N -0.477 119.335 119.800 0.021 0.000 2.287 363 Q HA 0.608 4.940 4.340 -0.013 0.000 0.201 363 Q C 1.210 177.229 176.000 0.032 0.000 0.946 363 Q CA 0.876 56.697 55.803 0.029 0.000 0.868 363 Q CB 0.194 28.957 28.738 0.043 0.000 0.967 363 Q HN 0.605 nan 8.270 nan 0.000 0.516 364 L N -2.109 119.134 121.223 0.033 0.000 2.301 364 L HA 0.561 4.893 4.340 -0.013 0.000 0.264 364 L C 0.612 177.495 176.870 0.022 0.000 1.016 364 L CA -0.163 54.697 54.840 0.034 0.000 0.821 364 L CB 2.106 44.203 42.059 0.063 0.000 1.346 364 L HN 0.378 nan 8.230 nan 0.000 0.429 365 G N 0.969 109.781 108.800 0.019 0.000 2.168 365 G HA2 -0.221 3.731 3.960 -0.013 0.000 0.263 365 G HA3 -0.221 3.731 3.960 -0.013 0.000 0.263 365 G C -0.370 174.538 174.900 0.013 0.000 0.977 365 G CA 0.445 45.558 45.100 0.021 0.000 0.659 365 G HN 0.616 nan 8.290 nan 0.000 0.533 366 V N 0.858 120.774 119.914 0.004 0.000 2.655 366 V HA 0.600 4.712 4.120 -0.013 0.000 0.301 366 V C 0.067 176.156 176.094 -0.008 0.000 1.082 366 V CA -1.198 61.102 62.300 0.000 0.000 0.899 366 V CB 1.350 33.177 31.823 0.007 0.000 1.014 366 V HN 0.363 nan 8.190 nan 0.000 0.429 367 I N 7.239 127.799 120.570 -0.017 0.000 2.460 367 I HA 0.546 4.708 4.170 -0.013 0.000 0.297 367 I C 0.621 176.731 176.117 -0.011 0.000 1.139 367 I CA 0.778 62.066 61.300 -0.019 0.000 1.340 367 I CB 0.141 38.123 38.000 -0.030 0.000 1.444 367 I HN 0.781 nan 8.210 nan 0.000 0.557 368 A N 5.431 128.249 122.820 -0.003 0.000 2.566 368 A HA 0.705 5.017 4.320 -0.013 0.000 0.292 368 A C -0.684 176.904 177.584 0.006 0.000 1.112 368 A CA -0.577 51.462 52.037 0.002 0.000 0.707 368 A CB 1.512 20.515 19.000 0.004 0.000 1.302 368 A HN 0.213 nan 8.150 nan 0.000 0.409 369 V N 1.444 121.364 119.914 0.010 0.000 2.479 369 V HA 0.463 4.575 4.120 -0.013 0.000 0.281 369 V C 1.410 177.510 176.094 0.010 0.000 1.031 369 V CA 1.721 64.028 62.300 0.011 0.000 1.038 369 V CB 0.173 32.004 31.823 0.014 0.000 0.981 369 V HN 2.182 nan 8.190 nan 0.000 0.478 370 G N 3.813 112.618 108.800 0.009 0.000 2.141 370 G HA2 -0.031 3.921 3.960 -0.013 0.000 0.231 370 G HA3 -0.031 3.921 3.960 -0.013 0.000 0.231 370 G C 0.199 175.105 174.900 0.011 0.000 0.984 370 G CA 0.110 45.215 45.100 0.009 0.000 0.660 370 G HN 1.379 nan 8.290 nan 0.000 0.525 371 A N -0.408 122.417 122.820 0.009 0.000 2.299 371 A HA 0.854 5.167 4.320 -0.013 0.000 0.332 371 A C 0.475 178.064 177.584 0.009 0.000 1.131 371 A CA -0.747 51.297 52.037 0.011 0.000 0.844 371 A CB 0.783 19.788 19.000 0.009 0.000 1.251 371 A HN 0.740 nan 8.150 nan 0.000 0.486 372 I N 1.196 121.775 120.570 0.014 0.000 2.533 372 I HA 0.179 4.341 4.170 -0.013 0.000 0.284 372 I C 1.080 177.197 176.117 0.001 0.000 1.109 372 I CA 0.133 61.440 61.300 0.011 0.000 1.412 372 I CB 1.232 39.247 38.000 0.024 0.000 1.396 372 I HN 0.663 nan 8.210 nan 0.000 0.543 373 A N 5.165 127.981 122.820 -0.006 0.000 3.074 373 A HA 0.153 4.465 4.320 -0.013 0.000 0.251 373 A C -0.282 177.286 177.584 -0.027 0.000 1.695 373 A CA -0.361 51.665 52.037 -0.018 0.000 1.343 373 A CB -0.984 18.005 19.000 -0.019 0.000 1.078 373 A HN 0.641 nan 8.150 nan 0.000 0.644 374 D N 0.972 121.356 120.400 -0.028 0.000 2.411 374 D HA 0.513 5.145 4.640 -0.013 0.000 0.225 374 D C -0.357 175.894 176.300 -0.083 0.000 1.156 374 D CA 0.546 54.519 54.000 -0.044 0.000 0.874 374 D CB 0.680 41.466 40.800 -0.023 0.000 1.034 374 D HN 0.383 nan 8.370 nan 0.000 0.502 375 L N 1.473 122.638 121.223 -0.096 0.000 2.370 375 L HA 0.634 4.966 4.340 -0.013 0.000 0.266 375 L C -0.601 176.172 176.870 -0.161 0.000 1.002 375 L CA -1.209 53.556 54.840 -0.125 0.000 0.818 375 L CB 2.234 44.242 42.059 -0.085 0.000 1.325 375 L HN -0.055 nan 8.230 nan 0.000 0.418 376 V N 2.623 122.402 119.914 -0.225 0.000 2.409 376 V HA 0.361 4.473 4.120 -0.013 0.000 0.291 376 V C -0.153 175.860 176.094 -0.134 0.000 1.020 376 V CA -0.703 61.451 62.300 -0.243 0.000 0.848 376 V CB 2.079 33.593 31.823 -0.515 0.000 0.990 376 V HN 0.419 nan 8.190 nan 0.000 0.430 377 V N 6.643 126.536 119.914 -0.035 0.000 2.432 377 V HA 0.422 4.535 4.120 -0.013 0.000 0.271 377 V C -0.152 175.941 176.094 -0.001 0.000 1.046 377 V CA -0.160 62.158 62.300 0.030 0.000 0.945 377 V CB 1.295 33.243 31.823 0.209 0.000 0.992 377 V HN 0.624 nan 8.190 nan 0.000 0.471 378 L N 4.373 125.583 121.223 -0.021 0.000 2.370 378 L HA 0.608 4.940 4.340 -0.013 0.000 0.266 378 L C -0.618 176.237 176.870 -0.024 0.000 1.002 378 L CA -0.293 54.528 54.840 -0.031 0.000 0.818 378 L CB 2.315 44.351 42.059 -0.040 0.000 1.325 378 L HN 0.680 nan 8.230 nan 0.000 0.418 379 D N 2.439 122.822 120.400 -0.029 0.000 2.329 379 D HA 0.603 5.235 4.640 -0.013 0.000 0.232 379 D C 0.105 176.389 176.300 -0.027 0.000 1.088 379 D CA 1.053 55.038 54.000 -0.025 0.000 0.835 379 D CB 0.871 41.654 40.800 -0.028 0.000 1.078 379 D HN 0.906 nan 8.370 nan 0.000 0.495 380 G N 3.054 111.838 108.800 -0.026 0.000 2.746 380 G HA2 -0.185 3.767 3.960 -0.013 0.000 0.685 380 G HA3 -0.185 3.767 3.960 -0.013 0.000 0.685 380 G C -0.606 174.276 174.900 -0.031 0.000 1.350 380 G CA -0.932 44.153 45.100 -0.026 0.000 0.837 380 G HN 0.654 nan 8.290 nan 0.000 0.564 381 N N 1.164 119.847 118.700 -0.028 0.000 2.426 381 N HA 0.572 5.304 4.740 -0.013 0.000 0.257 381 N C -0.544 174.949 175.510 -0.029 0.000 1.002 381 N CA -2.082 50.951 53.050 -0.029 0.000 0.942 381 N CB 1.816 40.289 38.487 -0.024 0.000 1.112 381 N HN 0.206 nan 8.380 nan 0.000 0.499 382 P HA -0.066 nan 4.420 nan 0.000 0.229 382 P C 1.284 178.570 177.300 -0.024 0.000 1.160 382 P CA 0.257 63.329 63.100 -0.047 0.000 0.777 382 P CB 0.593 32.244 31.700 -0.082 0.000 0.814 383 L N 0.560 121.774 121.223 -0.015 0.000 2.093 383 L HA -0.105 4.227 4.340 -0.013 0.000 0.208 383 L C 2.321 179.193 176.870 0.002 0.000 1.085 383 L CA 1.896 56.734 54.840 -0.002 0.000 0.755 383 L CB -1.396 40.661 42.059 -0.004 0.000 0.904 383 L HN -0.042 nan 8.230 nan 0.000 0.435 384 E N -1.346 118.852 120.200 -0.003 0.000 2.340 384 E HA 0.034 4.376 4.350 -0.013 0.000 0.194 384 E C -0.067 176.535 176.600 0.002 0.000 0.996 384 E CA 0.315 56.716 56.400 0.001 0.000 0.869 384 E CB 0.293 29.992 29.700 -0.001 0.000 0.835 384 E HN 0.292 nan 8.360 nan 0.000 0.493 385 D N -0.311 120.087 120.400 -0.003 0.000 2.354 385 D HA 0.119 4.751 4.640 -0.013 0.000 0.230 385 D C 0.013 176.306 176.300 -0.012 0.000 1.361 385 D CA -0.339 53.660 54.000 -0.002 0.000 0.992 385 D CB 0.597 41.394 40.800 -0.004 0.000 1.409 385 D HN -0.219 nan 8.370 nan 0.000 0.573 386 I N 2.845 123.415 120.570 -0.000 0.000 2.916 386 I HA 0.129 4.291 4.170 -0.013 0.000 0.267 386 I C 2.061 178.168 176.117 -0.017 0.000 1.263 386 I CA 1.144 62.439 61.300 -0.008 0.000 1.471 386 I CB -0.090 37.934 38.000 0.041 0.000 1.089 386 I HN 0.609 nan 8.210 nan 0.000 0.468 387 G N -0.053 108.744 108.800 -0.004 0.000 2.432 387 G HA2 -0.218 3.735 3.960 -0.013 0.000 0.219 387 G HA3 -0.218 3.735 3.960 -0.013 0.000 0.219 387 G C 1.699 176.586 174.900 -0.022 0.000 1.135 387 G CA 1.141 46.240 45.100 -0.001 0.000 0.767 387 G HN 0.446 nan 8.290 nan 0.000 0.550 388 V N -1.425 118.465 119.914 -0.040 0.000 2.970 388 V HA -0.011 4.102 4.120 -0.013 0.000 0.260 388 V C 2.331 178.379 176.094 -0.076 0.000 1.100 388 V CA 1.575 63.846 62.300 -0.047 0.000 1.122 388 V CB -0.235 31.562 31.823 -0.042 0.000 0.721 388 V HN 0.149 nan 8.190 nan 0.000 0.483 389 V N 0.559 120.387 119.914 -0.143 0.000 2.521 389 V HA 0.284 4.397 4.120 -0.013 0.000 0.239 389 V C 2.889 178.875 176.094 -0.181 0.000 1.053 389 V CA 1.351 63.486 62.300 -0.274 0.000 1.073 389 V CB -0.574 30.843 31.823 -0.677 0.000 0.746 389 V HN 0.527 nan 8.190 nan 0.000 0.476 390 A N -0.564 122.203 122.820 -0.088 0.000 2.168 390 A HA -0.134 4.178 4.320 -0.013 0.000 0.215 390 A C 1.476 179.112 177.584 0.087 0.000 1.152 390 A CA 1.177 53.269 52.037 0.092 0.000 0.716 390 A CB -0.415 18.678 19.000 0.156 0.000 0.794 390 A HN 0.453 nan 8.150 nan 0.000 0.465 391 D N 0.601 121.021 120.400 0.034 0.000 3.008 391 D HA 0.069 4.701 4.640 -0.013 0.000 0.242 391 D C 0.332 176.645 176.300 0.022 0.000 1.222 391 D CA 0.091 54.104 54.000 0.022 0.000 0.883 391 D CB -0.844 39.959 40.800 0.006 0.000 1.110 391 D HN 0.508 nan 8.370 nan 0.000 0.455 392 E N -0.313 119.919 120.200 0.054 0.000 2.586 392 E HA -0.220 4.122 4.350 -0.013 0.000 0.259 392 E C 0.416 177.069 176.600 0.089 0.000 1.107 392 E CA 0.506 56.952 56.400 0.076 0.000 0.754 392 E CB -1.297 28.415 29.700 0.019 0.000 1.335 392 E HN 0.606 nan 8.360 nan 0.000 0.411 393 G N -1.000 107.846 108.800 0.078 0.000 2.370 393 G HA2 -0.183 3.769 3.960 -0.013 0.000 0.295 393 G HA3 -0.183 3.769 3.960 -0.013 0.000 0.295 393 G C 0.643 175.557 174.900 0.023 0.000 1.045 393 G CA 0.561 45.693 45.100 0.054 0.000 1.199 393 G HN 0.779 nan 8.290 nan 0.000 0.513 394 A N 0.143 122.966 122.820 0.005 0.000 2.167 394 A HA 0.307 4.620 4.320 -0.013 0.000 0.214 394 A C 1.824 179.397 177.584 -0.018 0.000 1.151 394 A CA 1.379 53.412 52.037 -0.007 0.000 0.735 394 A CB 0.123 19.118 19.000 -0.008 0.000 0.802 394 A HN 0.573 nan 8.150 nan 0.000 0.467 395 R N -0.897 119.589 120.500 -0.022 0.000 2.772 395 R HA 0.291 4.623 4.340 -0.013 0.000 0.358 395 R C -1.034 175.243 176.300 -0.039 0.000 1.143 395 R CA -0.018 56.062 56.100 -0.033 0.000 1.153 395 R CB 1.360 31.641 30.300 -0.031 0.000 1.329 395 R HN 0.142 nan 8.270 nan 0.000 0.615 396 V N 2.031 121.922 119.914 -0.038 0.000 2.357 396 V HA 0.229 4.341 4.120 -0.013 0.000 0.284 396 V C 0.616 176.651 176.094 -0.098 0.000 1.018 396 V CA -0.264 62.006 62.300 -0.050 0.000 0.841 396 V CB 1.277 33.087 31.823 -0.022 0.000 0.991 396 V HN 0.457 nan 8.190 nan 0.000 0.437 397 E N 5.850 125.953 120.200 -0.161 0.000 2.372 397 E HA 0.075 4.417 4.350 -0.013 0.000 0.201 397 E C -0.692 175.583 176.600 -0.542 0.000 0.938 397 E CA 0.284 56.466 56.400 -0.363 0.000 0.944 397 E CB 0.370 29.787 29.700 -0.471 0.000 0.937 397 E HN 0.655 nan 8.360 nan 0.000 0.495 398 Y N 0.376 120.652 120.300 -0.040 0.000 2.425 398 Y HA 0.516 5.058 4.550 -0.013 0.000 0.344 398 Y C -0.391 175.471 175.900 -0.063 0.000 0.969 398 Y CA -1.162 56.912 58.100 -0.044 0.000 1.052 398 Y CB 2.506 40.941 38.460 -0.042 0.000 1.215 398 Y HN -0.278 nan 8.280 nan 0.000 0.451 399 V N 4.771 124.746 119.914 0.102 0.000 2.487 399 V HA 0.496 4.608 4.120 -0.013 0.000 0.298 399 V C -0.933 175.173 176.094 0.020 0.000 1.028 399 V CA -0.748 61.562 62.300 0.017 0.000 0.860 399 V CB 1.662 33.483 31.823 -0.003 0.000 0.991 399 V HN 0.507 nan 8.190 nan 0.000 0.427 400 L N 4.563 125.776 121.223 -0.017 0.000 2.349 400 L HA 0.602 4.934 4.340 -0.013 0.000 0.278 400 L C -0.248 176.603 176.870 -0.032 0.000 0.996 400 L CA 0.067 54.894 54.840 -0.022 0.000 0.825 400 L CB 1.744 43.782 42.059 -0.035 0.000 1.243 400 L HN 0.634 nan 8.230 nan 0.000 0.412 401 Q N 3.310 123.097 119.800 -0.021 0.000 2.330 401 Q HA 0.450 4.782 4.340 -0.013 0.000 0.269 401 Q C -0.507 175.482 176.000 -0.018 0.000 1.022 401 Q CA -0.814 54.978 55.803 -0.019 0.000 0.796 401 Q CB 1.386 30.117 28.738 -0.012 0.000 1.271 401 Q HN 0.445 nan 8.270 nan 0.000 0.450 402 R N 2.606 123.096 120.500 -0.015 0.000 3.158 402 R HA -0.335 3.997 4.340 -0.013 0.000 0.244 402 R C 0.684 176.974 176.300 -0.016 0.000 0.900 402 R CA 0.681 56.773 56.100 -0.014 0.000 0.618 402 R CB -1.938 28.353 30.300 -0.015 0.000 1.061 402 R HN 1.181 nan 8.270 nan 0.000 0.471 403 G N -1.210 107.578 108.800 -0.019 0.000 3.329 403 G HA2 -0.417 3.535 3.960 -0.013 0.000 0.220 403 G HA3 -0.417 3.535 3.960 -0.013 0.000 0.220 403 G C 0.284 175.169 174.900 -0.025 0.000 1.358 403 G CA 0.608 45.694 45.100 -0.022 0.000 0.856 403 G HN 0.660 nan 8.290 nan 0.000 0.551 404 T N 1.342 115.883 114.554 -0.022 0.000 2.913 404 T HA 0.528 4.870 4.350 -0.013 0.000 0.297 404 T C 0.307 174.997 174.700 -0.017 0.000 1.029 404 T CA 0.213 62.301 62.100 -0.020 0.000 1.104 404 T CB 1.006 69.864 68.868 -0.017 0.000 0.964 404 T HN 1.208 nan 8.240 nan 0.000 0.532 405 L N 6.068 127.282 121.223 -0.014 0.000 2.319 405 L HA 0.402 4.734 4.340 -0.013 0.000 0.280 405 L C 0.586 177.467 176.870 0.017 0.000 1.099 405 L CA 0.249 55.091 54.840 0.002 0.000 0.828 405 L CB 0.830 42.888 42.059 -0.001 0.000 1.150 405 L HN 0.632 nan 8.230 nan 0.000 0.442 406 V N 2.523 122.453 119.914 0.027 0.000 2.908 406 V HA 0.323 4.435 4.120 -0.013 0.000 0.240 406 V C 0.652 176.766 176.094 0.034 0.000 1.117 406 V CA 0.323 62.636 62.300 0.023 0.000 1.133 406 V CB -0.494 31.337 31.823 0.012 0.000 0.857 406 V HN 0.610 nan 8.190 nan 0.000 0.478 407 K N 1.292 121.722 120.400 0.050 0.000 2.259 407 K HA 0.615 4.927 4.320 -0.013 0.000 0.249 407 K C -0.815 175.818 176.600 0.057 0.000 0.942 407 K CA -0.498 55.811 56.287 0.038 0.000 0.816 407 K CB 2.772 35.282 32.500 0.016 0.000 1.155 407 K HN 0.070 nan 8.250 nan 0.000 0.428 408 R N 2.575 123.074 120.500 -0.001 0.000 2.721 408 R HA 0.176 4.508 4.340 -0.013 0.000 0.272 408 R C -0.930 175.289 176.300 -0.135 0.000 1.721 408 R CA -0.041 56.014 56.100 -0.075 0.000 1.325 408 R CB 0.729 31.054 30.300 0.042 0.000 1.271 408 R HN 0.672 nan 8.270 nan 0.000 0.556 409 Q N 0.000 119.678 119.800 -0.204 0.000 2.315 409 Q HA 0.000 4.332 4.340 -0.013 0.000 0.214 409 Q CA 0.000 55.716 55.803 -0.145 0.000 1.022 409 Q CB 0.000 28.683 28.738 -0.092 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481