REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3feq_1_K DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD XXARVEYVLQ 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 0.000 174.695 174.700 -0.009 0.000 1.109 2 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 2 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 3 I N -0.199 120.365 120.570 -0.010 0.000 2.842 3 I HA 0.668 4.838 4.170 -0.000 0.000 0.297 3 I C -1.863 174.246 176.117 -0.014 0.000 1.380 3 I CA -0.157 61.137 61.300 -0.011 0.000 1.018 3 I CB 2.328 40.324 38.000 -0.008 0.000 1.311 3 I HN 0.979 nan 8.210 nan 0.000 0.439 4 T N 5.147 119.691 114.554 -0.016 0.000 2.909 4 T HA 0.636 4.986 4.350 -0.000 0.000 0.299 4 T C -1.494 173.195 174.700 -0.019 0.000 1.073 4 T CA -0.484 61.601 62.100 -0.024 0.000 0.999 4 T CB 2.144 70.990 68.868 -0.037 0.000 1.098 4 T HN 0.309 nan 8.240 nan 0.000 0.477 5 V N 3.738 123.639 119.914 -0.021 0.000 2.483 5 V HA 0.401 4.521 4.120 -0.000 0.000 0.297 5 V C -0.881 175.189 176.094 -0.040 0.000 1.027 5 V CA -0.991 61.306 62.300 -0.005 0.000 0.855 5 V CB 1.644 33.488 31.823 0.035 0.000 0.995 5 V HN 0.640 nan 8.190 nan 0.000 0.424 6 L N 5.891 127.081 121.223 -0.054 0.000 2.315 6 L HA 0.425 4.765 4.340 -0.000 0.000 0.283 6 L C 0.381 177.193 176.870 -0.098 0.000 1.089 6 L CA 0.320 55.099 54.840 -0.101 0.000 0.833 6 L CB 0.698 42.691 42.059 -0.109 0.000 1.170 6 L HN 0.820 nan 8.230 nan 0.000 0.442 7 Q N 1.144 120.853 119.800 -0.152 0.000 2.312 7 Q HA 0.630 4.970 4.340 -0.000 0.000 0.263 7 Q C 0.614 176.353 176.000 -0.434 0.000 0.995 7 Q CA -0.467 55.142 55.803 -0.324 0.000 0.853 7 Q CB 1.854 30.526 28.738 -0.109 0.000 1.300 7 Q HN 0.780 nan 8.270 nan 0.000 0.448 8 G N 1.758 110.083 108.800 -0.792 0.000 2.160 8 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 8 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 8 G C 0.349 175.077 174.900 -0.288 0.000 1.008 8 G CA -0.134 44.731 45.100 -0.391 0.000 0.724 8 G HN 1.000 nan 8.290 nan 0.000 0.514 9 G N -0.614 108.047 108.800 -0.230 0.000 2.572 9 G HA2 0.477 4.437 3.960 -0.000 0.000 0.261 9 G HA3 0.477 4.437 3.960 -0.000 0.000 0.261 9 G C 0.010 174.828 174.900 -0.138 0.000 1.197 9 G CA -0.352 44.652 45.100 -0.160 0.000 0.870 9 G HN 0.504 nan 8.290 nan 0.000 0.548 10 N N 0.142 118.764 118.700 -0.129 0.000 2.602 10 N HA 0.292 5.032 4.740 -0.000 0.000 0.238 10 N C -0.430 175.032 175.510 -0.079 0.000 1.084 10 N CA -0.543 52.447 53.050 -0.101 0.000 0.952 10 N CB 1.886 40.313 38.487 -0.099 0.000 1.244 10 N HN 0.180 nan 8.380 nan 0.000 0.512 11 V N 3.139 123.004 119.914 -0.082 0.000 2.446 11 V HA -0.018 4.102 4.120 -0.000 0.000 0.276 11 V C 0.669 176.708 176.094 -0.092 0.000 1.030 11 V CA -0.272 61.981 62.300 -0.077 0.000 1.033 11 V CB 0.427 32.210 31.823 -0.067 0.000 0.993 11 V HN 0.639 nan 8.190 nan 0.000 0.477 12 L N 5.486 126.675 121.223 -0.056 0.000 2.433 12 L HA 0.256 4.596 4.340 -0.000 0.000 0.275 12 L C 0.347 177.195 176.870 -0.037 0.000 1.128 12 L CA 0.201 55.015 54.840 -0.043 0.000 0.875 12 L CB 0.462 42.508 42.059 -0.021 0.000 1.171 12 L HN 0.687 nan 8.230 nan 0.000 0.463 13 D N 4.739 125.112 120.400 -0.045 0.000 2.303 13 D HA 0.169 4.809 4.640 -0.000 0.000 0.236 13 D C 0.565 176.858 176.300 -0.011 0.000 1.068 13 D CA -0.382 53.601 54.000 -0.029 0.000 0.830 13 D CB 1.810 42.584 40.800 -0.043 0.000 1.109 13 D HN 0.495 nan 8.370 nan 0.000 0.496 14 L N 3.309 124.534 121.223 0.004 0.000 2.298 14 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 14 L C 2.425 179.305 176.870 0.017 0.000 1.084 14 L CA 0.336 55.185 54.840 0.014 0.000 0.816 14 L CB 0.036 42.112 42.059 0.028 0.000 0.967 14 L HN 0.477 nan 8.230 nan 0.000 0.460 15 E N 0.433 120.642 120.200 0.016 0.000 2.208 15 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 15 E C 1.872 178.479 176.600 0.013 0.000 0.988 15 E CA 0.937 57.347 56.400 0.018 0.000 0.828 15 E CB -0.068 29.644 29.700 0.019 0.000 0.763 15 E HN 0.451 nan 8.360 nan 0.000 0.478 16 R N -0.053 120.451 120.500 0.006 0.000 2.175 16 R HA 0.168 4.508 4.340 -0.000 0.000 0.202 16 R C 1.167 177.468 176.300 0.002 0.000 1.018 16 R CA 0.710 56.812 56.100 0.003 0.000 1.029 16 R CB 0.385 30.684 30.300 -0.002 0.000 0.959 16 R HN 0.313 nan 8.270 nan 0.000 0.480 17 G N 0.913 109.713 108.800 -0.000 0.000 2.171 17 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.238 17 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.238 17 G C -0.193 174.703 174.900 -0.007 0.000 1.039 17 G CA 0.106 45.206 45.100 0.000 0.000 0.759 17 G HN 0.250 nan 8.290 nan 0.000 0.501 18 V N -2.552 117.352 119.914 -0.017 0.000 2.925 18 V HA 0.806 4.926 4.120 -0.000 0.000 0.311 18 V C 0.708 176.775 176.094 -0.045 0.000 1.104 18 V CA -1.724 60.561 62.300 -0.026 0.000 0.954 18 V CB 2.041 33.850 31.823 -0.023 0.000 1.022 18 V HN 0.308 nan 8.190 nan 0.000 0.427 19 L N 3.401 124.596 121.223 -0.047 0.000 2.461 19 L HA 0.390 4.730 4.340 -0.000 0.000 0.272 19 L C -0.397 176.412 176.870 -0.101 0.000 1.197 19 L CA -0.164 54.636 54.840 -0.068 0.000 0.836 19 L CB 0.687 42.715 42.059 -0.051 0.000 1.105 19 L HN 0.559 nan 8.230 nan 0.000 0.477 20 L N 3.862 124.978 121.223 -0.179 0.000 2.356 20 L HA 0.261 4.601 4.340 -0.000 0.000 0.264 20 L C 0.166 176.940 176.870 -0.159 0.000 1.029 20 L CA -0.745 53.899 54.840 -0.327 0.000 0.897 20 L CB 0.850 42.413 42.059 -0.826 0.000 1.256 20 L HN 0.607 nan 8.230 nan 0.000 0.444 21 E N 2.942 123.165 120.200 0.038 0.000 2.415 21 E HA -0.024 4.326 4.350 -0.000 0.000 0.262 21 E C 0.104 176.874 176.600 0.282 0.000 1.038 21 E CA -0.322 56.127 56.400 0.083 0.000 0.921 21 E CB 0.281 30.043 29.700 0.103 0.000 0.950 21 E HN 0.542 nan 8.360 nan 0.000 0.438 22 H N 0.201 119.348 119.070 0.129 0.000 2.741 22 H HA -0.165 4.391 4.556 -0.000 0.000 0.305 22 H C -0.691 174.721 175.328 0.141 0.000 1.169 22 H CA 1.107 57.206 56.048 0.086 0.000 1.144 22 H CB -2.007 27.794 29.762 0.066 0.000 1.397 22 H HN 0.513 nan 8.280 nan 0.000 0.409 23 H N 0.652 119.760 119.070 0.064 0.000 2.562 23 H HA 0.238 4.794 4.556 -0.000 0.000 0.314 23 H C 0.875 176.229 175.328 0.043 0.000 1.079 23 H CA -0.143 55.965 56.048 0.100 0.000 1.349 23 H CB 0.530 30.324 29.762 0.053 0.000 1.432 23 H HN 0.318 nan 8.280 nan 0.000 0.479 24 H N 1.605 120.709 119.070 0.056 0.000 2.562 24 H HA 0.297 4.853 4.556 -0.000 0.000 0.352 24 H C -0.228 175.120 175.328 0.032 0.000 1.125 24 H CA -0.531 55.532 56.048 0.026 0.000 1.379 24 H CB 2.040 31.801 29.762 -0.002 0.000 1.464 24 H HN 0.295 nan 8.280 nan 0.000 0.563 25 V N 3.967 123.946 119.914 0.107 0.000 2.444 25 V HA 0.275 4.395 4.120 -0.000 0.000 0.294 25 V C -0.864 175.255 176.094 0.041 0.000 1.022 25 V CA -0.598 61.740 62.300 0.064 0.000 0.850 25 V CB 1.311 33.153 31.823 0.032 0.000 0.992 25 V HN 0.453 nan 8.190 nan 0.000 0.426 26 V N 8.124 128.060 119.914 0.036 0.000 2.347 26 V HA 0.523 4.643 4.120 -0.000 0.000 0.280 26 V C -0.054 176.045 176.094 0.007 0.000 1.021 26 V CA -0.592 61.719 62.300 0.020 0.000 0.847 26 V CB 1.271 33.104 31.823 0.017 0.000 0.990 26 V HN 0.705 nan 8.190 nan 0.000 0.444 27 I N 3.636 124.204 120.570 -0.003 0.000 2.336 27 I HA 0.472 4.642 4.170 -0.000 0.000 0.292 27 I C -0.334 175.779 176.117 -0.006 0.000 0.991 27 I CA -0.241 61.054 61.300 -0.007 0.000 1.227 27 I CB 1.396 39.386 38.000 -0.016 0.000 1.366 27 I HN 0.613 nan 8.210 nan 0.000 0.466 28 D N 3.934 124.331 120.400 -0.004 0.000 2.502 28 D HA 0.581 5.221 4.640 -0.000 0.000 0.249 28 D C 0.689 176.986 176.300 -0.004 0.000 1.092 28 D CA 0.608 54.605 54.000 -0.004 0.000 0.839 28 D CB 1.760 42.559 40.800 -0.002 0.000 1.264 28 D HN 0.831 nan 8.370 nan 0.000 0.511 29 G N 3.989 112.785 108.800 -0.006 0.000 2.602 29 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.310 29 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.310 29 G C 0.716 175.611 174.900 -0.007 0.000 1.183 29 G CA 0.619 45.715 45.100 -0.006 0.000 0.979 29 G HN 0.595 nan 8.290 nan 0.000 0.545 30 E N 1.081 121.278 120.200 -0.005 0.000 2.498 30 E HA 0.192 4.542 4.350 -0.000 0.000 0.203 30 E C 0.935 177.534 176.600 -0.001 0.000 1.013 30 E CA -0.102 56.294 56.400 -0.005 0.000 0.927 30 E CB 0.483 30.180 29.700 -0.005 0.000 1.012 30 E HN 0.374 nan 8.360 nan 0.000 0.482 31 R N 0.981 121.482 120.500 0.001 0.000 2.711 31 R HA 0.457 4.797 4.340 -0.000 0.000 0.284 31 R C -0.261 176.041 176.300 0.004 0.000 0.968 31 R CA -0.804 55.299 56.100 0.005 0.000 0.924 31 R CB 1.969 32.274 30.300 0.008 0.000 1.162 31 R HN -0.035 nan 8.270 nan 0.000 0.465 32 I N 2.439 123.012 120.570 0.007 0.000 2.533 32 I HA -0.049 4.120 4.170 -0.000 0.000 0.284 32 I C 1.188 177.312 176.117 0.011 0.000 1.109 32 I CA 0.008 61.313 61.300 0.009 0.000 1.412 32 I CB 0.904 38.911 38.000 0.012 0.000 1.396 32 I HN 0.437 nan 8.210 nan 0.000 0.543 33 V N 4.067 123.987 119.914 0.011 0.000 3.212 33 V HA 0.196 4.316 4.120 -0.000 0.000 0.244 33 V C 0.569 176.671 176.094 0.014 0.000 1.151 33 V CA 0.505 62.812 62.300 0.011 0.000 1.119 33 V CB -0.151 31.676 31.823 0.006 0.000 0.838 33 V HN 0.725 nan 8.190 nan 0.000 0.470 34 E N -0.124 120.088 120.200 0.019 0.000 2.308 34 E HA 0.562 4.912 4.350 -0.000 0.000 0.275 34 E C -1.891 174.735 176.600 0.044 0.000 0.890 34 E CA -0.306 56.109 56.400 0.025 0.000 0.754 34 E CB 3.152 32.861 29.700 0.015 0.000 1.207 34 E HN 0.045 nan 8.360 nan 0.000 0.426 35 V N 2.559 122.508 119.914 0.059 0.000 2.376 35 V HA 0.546 4.665 4.120 -0.000 0.000 0.287 35 V C -0.210 175.959 176.094 0.124 0.000 1.015 35 V CA -0.471 61.889 62.300 0.100 0.000 0.834 35 V CB 1.431 33.315 31.823 0.102 0.000 1.001 35 V HN 0.671 nan 8.190 nan 0.000 0.428 36 T N 1.694 116.311 114.554 0.104 0.000 2.894 36 T HA 0.365 4.715 4.350 -0.000 0.000 0.309 36 T C -0.378 174.232 174.700 -0.149 0.000 1.208 36 T CA -0.383 61.710 62.100 -0.012 0.000 1.016 36 T CB 1.943 70.789 68.868 -0.037 0.000 1.192 36 T HN 0.797 nan 8.240 nan 0.000 0.491 37 D N 1.563 121.724 120.400 -0.399 0.000 2.358 37 D HA 0.119 4.759 4.640 -0.000 0.000 0.224 37 D C 0.525 176.729 176.300 -0.160 0.000 1.123 37 D CA -0.461 53.345 54.000 -0.323 0.000 0.833 37 D CB 0.074 40.550 40.800 -0.540 0.000 0.946 37 D HN 0.070 nan 8.370 nan 0.000 0.505 38 R N 2.177 122.567 120.500 -0.183 0.000 2.640 38 R HA 0.166 4.506 4.340 -0.000 0.000 0.270 38 R C -2.120 173.979 176.300 -0.335 0.000 1.024 38 R CA -1.847 54.135 56.100 -0.198 0.000 1.085 38 R CB -0.651 29.549 30.300 -0.166 0.000 0.963 38 R HN 0.157 nan 8.270 nan 0.000 0.426 39 P HA -0.040 nan 4.420 nan 0.000 0.262 39 P C -0.237 176.912 177.300 -0.252 0.000 1.199 39 P CA 0.218 63.172 63.100 -0.243 0.000 0.763 39 P CB 0.587 32.217 31.700 -0.117 0.000 0.790 40 V N 3.407 123.127 119.914 -0.323 0.000 2.630 40 V HA 0.182 4.302 4.120 -0.000 0.000 0.305 40 V C 0.244 176.274 176.094 -0.108 0.000 1.046 40 V CA -0.429 61.741 62.300 -0.217 0.000 0.934 40 V CB 1.758 33.432 31.823 -0.248 0.000 1.003 40 V HN 0.360 nan 8.190 nan 0.000 0.451 41 D N 4.296 124.653 120.400 -0.072 0.000 2.631 41 D HA 0.255 4.895 4.640 -0.000 0.000 0.227 41 D C -0.043 176.240 176.300 -0.029 0.000 1.146 41 D CA -0.210 53.763 54.000 -0.045 0.000 1.009 41 D CB -0.234 40.543 40.800 -0.039 0.000 1.057 41 D HN 0.461 nan 8.370 nan 0.000 0.509 42 L N 0.839 122.049 121.223 -0.022 0.000 2.282 42 L HA 0.565 4.905 4.340 -0.000 0.000 0.287 42 L C -1.666 175.199 176.870 -0.008 0.000 1.075 42 L CA -1.081 53.753 54.840 -0.010 0.000 0.839 42 L CB 0.749 42.809 42.059 0.001 0.000 1.219 42 L HN -0.016 nan 8.230 nan 0.000 0.434 43 P HA 0.107 nan 4.420 nan 0.000 0.212 43 P C 0.311 177.607 177.300 -0.006 0.000 1.171 43 P CA 0.763 63.858 63.100 -0.008 0.000 0.892 43 P CB 0.269 31.964 31.700 -0.008 0.000 0.769 44 N N -0.881 117.815 118.700 -0.007 0.000 2.328 44 N HA 0.377 5.117 4.740 -0.000 0.000 0.247 44 N C -0.505 175.000 175.510 -0.007 0.000 1.165 44 N CA -0.211 52.836 53.050 -0.006 0.000 0.873 44 N CB 0.295 38.778 38.487 -0.006 0.000 1.125 44 N HN 0.134 nan 8.380 nan 0.000 0.513 45 A N 0.326 123.142 122.820 -0.007 0.000 2.363 45 A HA 0.287 4.607 4.320 -0.000 0.000 0.270 45 A C 0.207 177.784 177.584 -0.012 0.000 1.121 45 A CA -0.299 51.732 52.037 -0.009 0.000 0.800 45 A CB 0.380 19.377 19.000 -0.005 0.000 1.052 45 A HN 0.206 nan 8.150 nan 0.000 0.493 46 Q N 1.435 121.224 119.800 -0.018 0.000 2.388 46 Q HA 0.360 4.700 4.340 -0.000 0.000 0.246 46 Q C 0.297 176.276 176.000 -0.036 0.000 1.246 46 Q CA 0.542 56.329 55.803 -0.026 0.000 0.895 46 Q CB 0.084 28.803 28.738 -0.032 0.000 1.510 46 Q HN 0.772 nan 8.270 nan 0.000 0.503 47 A N 4.494 127.298 122.820 -0.027 0.000 2.476 47 A HA 0.293 4.613 4.320 -0.000 0.000 0.275 47 A C -0.370 177.176 177.584 -0.063 0.000 1.133 47 A CA -0.161 51.858 52.037 -0.031 0.000 0.797 47 A CB -0.160 18.835 19.000 -0.009 0.000 1.081 47 A HN 0.749 nan 8.150 nan 0.000 0.510 48 I N 2.595 123.100 120.570 -0.110 0.000 2.354 48 I HA 0.156 4.326 4.170 -0.000 0.000 0.286 48 I C -0.289 175.725 176.117 -0.172 0.000 1.007 48 I CA -0.434 60.754 61.300 -0.187 0.000 1.167 48 I CB 1.617 39.406 38.000 -0.351 0.000 1.320 48 I HN 0.614 nan 8.210 nan 0.000 0.458 49 D N 5.694 126.027 120.400 -0.112 0.000 2.339 49 D HA 0.219 4.859 4.640 -0.000 0.000 0.256 49 D C -0.030 176.223 176.300 -0.078 0.000 1.214 49 D CA 0.154 54.109 54.000 -0.075 0.000 0.877 49 D CB 0.946 41.731 40.800 -0.024 0.000 1.111 49 D HN 0.250 nan 8.370 nan 0.000 0.478 50 V N 5.242 125.096 119.914 -0.101 0.000 2.802 50 V HA 0.148 4.267 4.120 -0.000 0.000 0.350 50 V C 0.422 176.462 176.094 -0.089 0.000 1.233 50 V CA -0.808 61.443 62.300 -0.082 0.000 1.337 50 V CB -0.557 31.200 31.823 -0.111 0.000 1.497 50 V HN 0.519 nan 8.190 nan 0.000 0.616 51 R N 1.935 122.397 120.500 -0.063 0.000 2.489 51 R HA 0.258 4.598 4.340 -0.000 0.000 0.287 51 R C 0.864 177.123 176.300 -0.069 0.000 1.053 51 R CA 1.044 57.104 56.100 -0.067 0.000 1.036 51 R CB 0.179 30.479 30.300 -0.000 0.000 0.966 51 R HN 0.813 nan 8.270 nan 0.000 0.432 52 G N 2.782 111.503 108.800 -0.131 0.000 2.258 52 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.274 52 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.274 52 G C -0.476 174.385 174.900 -0.065 0.000 1.021 52 G CA 0.981 46.025 45.100 -0.094 0.000 0.798 52 G HN 0.677 nan 8.290 nan 0.000 0.507 53 K N -0.312 120.045 120.400 -0.073 0.000 2.422 53 K HA 0.503 4.823 4.320 -0.000 0.000 0.251 53 K C -0.116 176.452 176.600 -0.054 0.000 0.933 53 K CA -0.690 55.571 56.287 -0.044 0.000 0.798 53 K CB 1.554 34.049 32.500 -0.008 0.000 1.238 53 K HN 0.041 nan 8.250 nan 0.000 0.428 54 T N 1.578 116.107 114.554 -0.042 0.000 2.799 54 T HA 0.064 4.413 4.350 -0.000 0.000 0.296 54 T C -0.377 174.302 174.700 -0.035 0.000 0.947 54 T CA -0.342 61.732 62.100 -0.043 0.000 1.141 54 T CB 0.499 69.345 68.868 -0.037 0.000 0.891 54 T HN 0.286 nan 8.240 nan 0.000 0.533 55 V N 7.540 127.428 119.914 -0.043 0.000 2.350 55 V HA 0.720 4.840 4.120 -0.000 0.000 0.276 55 V C -0.316 175.758 176.094 -0.032 0.000 1.028 55 V CA -0.689 61.587 62.300 -0.040 0.000 0.860 55 V CB 0.233 32.027 31.823 -0.048 0.000 0.990 55 V HN 0.930 nan 8.190 nan 0.000 0.453 56 M N 6.597 126.181 119.600 -0.027 0.000 2.755 56 M HA 0.846 5.326 4.480 -0.000 0.000 0.298 56 M C -2.929 173.361 176.300 -0.017 0.000 1.251 56 M CA -2.324 52.974 55.300 -0.003 0.000 0.817 56 M CB 2.085 34.709 32.600 0.040 0.000 1.760 56 M HN 0.258 nan 8.290 nan 0.000 0.473 57 P HA 0.250 nan 4.420 nan 0.000 0.274 57 P C -0.204 177.064 177.300 -0.055 0.000 1.231 57 P CA -0.017 63.083 63.100 0.000 0.000 0.790 57 P CB 0.375 32.102 31.700 0.044 0.000 0.951 58 G N 2.139 110.860 108.800 -0.131 0.000 2.398 58 G HA2 0.265 4.225 3.960 -0.000 0.000 0.246 58 G HA3 0.265 4.225 3.960 -0.000 0.000 0.246 58 G C -0.508 174.318 174.900 -0.124 0.000 1.289 58 G CA -0.246 44.677 45.100 -0.296 0.000 0.869 58 G HN 0.205 nan 8.290 nan 0.000 0.543 59 F N 0.726 120.598 119.950 -0.131 0.000 2.506 59 F HA 0.392 4.919 4.527 -0.000 0.000 0.351 59 F C 0.855 176.715 175.800 0.101 0.000 1.136 59 F CA -1.097 56.820 58.000 -0.139 0.000 1.298 59 F CB 0.496 39.154 39.000 -0.569 0.000 1.145 59 F HN 0.163 nan 8.300 nan 0.000 0.593 60 I N 2.181 122.969 120.570 0.363 0.000 2.418 60 I HA 0.202 4.372 4.170 -0.000 0.000 0.287 60 I C -0.727 175.614 176.117 0.374 0.000 1.008 60 I CA -0.644 60.860 61.300 0.340 0.000 1.104 60 I CB 1.607 39.732 38.000 0.208 0.000 1.264 60 I HN 0.418 nan 8.210 nan 0.000 0.438 61 D N 5.258 125.888 120.400 0.382 0.000 2.280 61 D HA 0.262 4.902 4.640 -0.000 0.000 0.236 61 D C 0.090 176.499 176.300 0.181 0.000 1.082 61 D CA -0.398 53.795 54.000 0.322 0.000 0.834 61 D CB 1.769 42.590 40.800 0.034 0.000 1.100 61 D HN 0.542 nan 8.370 nan 0.000 0.486 62 C N 2.677 122.076 119.300 0.165 0.000 2.673 62 C HA 0.191 4.651 4.460 -0.000 0.000 0.274 62 C C 0.689 175.717 174.990 0.064 0.000 1.276 62 C CA -0.201 58.863 59.018 0.076 0.000 1.701 62 C CB -1.691 26.071 27.740 0.038 0.000 1.836 62 C HN 0.603 nan 8.230 nan 0.000 0.596 63 H N 0.107 119.131 119.070 -0.076 0.000 2.809 63 H HA 0.447 5.003 4.556 -0.000 0.000 0.268 63 H C -0.710 174.499 175.328 -0.197 0.000 1.403 63 H CA -0.160 55.795 56.048 -0.155 0.000 1.564 63 H CB 0.346 29.997 29.762 -0.185 0.000 1.834 63 H HN 0.114 nan 8.280 nan 0.000 0.613 64 V N 0.429 120.189 119.914 -0.258 0.000 2.919 64 V HA 0.565 4.685 4.120 -0.000 0.000 0.316 64 V C -0.349 175.449 176.094 -0.493 0.000 1.077 64 V CA -0.788 61.378 62.300 -0.224 0.000 0.977 64 V CB 2.298 34.077 31.823 -0.074 0.000 1.039 64 V HN 0.662 nan 8.190 nan 0.000 0.441 65 H N 1.876 120.978 119.070 0.052 0.000 2.645 65 H HA 0.373 4.929 4.556 -0.000 0.000 0.257 65 H C 0.842 176.242 175.328 0.120 0.000 1.269 65 H CA -0.333 55.749 56.048 0.057 0.000 1.409 65 H CB 1.666 31.465 29.762 0.061 0.000 1.434 65 H HN 0.542 nan 8.280 nan 0.000 0.505 66 V N 2.359 122.349 119.914 0.127 0.000 2.439 66 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 66 V C 2.092 178.198 176.094 0.019 0.000 1.074 66 V CA 1.770 64.102 62.300 0.053 0.000 1.076 66 V CB -0.268 31.555 31.823 -0.000 0.000 0.664 66 V HN 0.538 nan 8.190 nan 0.000 0.461 67 L N -0.268 120.993 121.223 0.063 0.000 2.592 67 L HA 0.329 4.669 4.340 -0.000 0.000 0.227 67 L C 1.444 178.334 176.870 0.034 0.000 1.127 67 L CA 0.201 55.056 54.840 0.026 0.000 0.884 67 L CB -0.188 41.885 42.059 0.023 0.000 1.065 67 L HN 0.224 nan 8.230 nan 0.000 0.457 68 A N 0.059 122.943 122.820 0.107 0.000 2.785 68 A HA 0.194 4.514 4.320 -0.000 0.000 0.294 68 A C 1.436 179.076 177.584 0.093 0.000 1.597 68 A CA 0.449 52.545 52.037 0.097 0.000 1.283 68 A CB -0.262 18.834 19.000 0.161 0.000 1.088 68 A HN 0.393 nan 8.150 nan 0.000 0.568 69 S N 1.487 117.188 115.700 0.002 0.000 2.486 69 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 69 S C 0.479 175.056 174.600 -0.038 0.000 1.011 69 S CA 0.278 58.455 58.200 -0.039 0.000 0.921 69 S CB -0.408 62.755 63.200 -0.063 0.000 0.785 69 S HN 0.933 nan 8.310 nan 0.000 0.517 70 N N -1.098 117.582 118.700 -0.033 0.000 2.357 70 N HA 0.678 5.418 4.740 -0.000 0.000 0.284 70 N C 0.385 175.878 175.510 -0.028 0.000 1.236 70 N CA -0.377 52.648 53.050 -0.041 0.000 0.774 70 N CB 1.184 39.642 38.487 -0.048 0.000 1.534 70 N HN -0.046 nan 8.380 nan 0.000 0.478 71 A N 0.673 123.491 122.820 -0.003 0.000 2.015 71 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 71 A C 0.879 178.458 177.584 -0.008 0.000 1.163 71 A CA 0.786 52.840 52.037 0.028 0.000 0.646 71 A CB -0.706 18.360 19.000 0.109 0.000 0.806 71 A HN 0.738 nan 8.150 nan 0.000 0.448 72 N N 1.041 119.720 118.700 -0.035 0.000 2.415 72 N HA 0.228 4.968 4.740 -0.000 0.000 0.250 72 N C 0.566 175.948 175.510 -0.213 0.000 1.127 72 N CA -0.053 52.943 53.050 -0.090 0.000 0.945 72 N CB 0.400 38.853 38.487 -0.057 0.000 1.196 72 N HN 0.351 nan 8.380 nan 0.000 0.499 73 L N 2.273 123.282 121.223 -0.356 0.000 2.275 73 L HA -0.020 4.320 4.340 -0.000 0.000 0.215 73 L C 2.237 178.559 176.870 -0.914 0.000 1.119 73 L CA 0.905 55.368 54.840 -0.627 0.000 0.790 73 L CB -0.269 41.321 42.059 -0.782 0.000 0.919 73 L HN 0.554 nan 8.230 nan 0.000 0.443 74 G N -0.510 107.794 108.800 -0.827 0.000 2.446 74 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 74 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 74 G C 1.579 176.332 174.900 -0.245 0.000 1.168 74 G CA 0.953 45.762 45.100 -0.485 0.000 0.771 74 G HN 0.209 nan 8.290 nan 0.000 0.551 75 V N 0.623 120.425 119.914 -0.186 0.000 2.951 75 V HA -0.007 4.113 4.120 -0.000 0.000 0.255 75 V C 2.419 178.449 176.094 -0.106 0.000 1.088 75 V CA 1.624 63.861 62.300 -0.106 0.000 1.109 75 V CB -0.193 31.590 31.823 -0.067 0.000 0.724 75 V HN 0.419 nan 8.190 nan 0.000 0.471 76 N N 0.587 119.197 118.700 -0.151 0.000 2.166 76 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 76 N C 1.743 177.190 175.510 -0.104 0.000 1.019 76 N CA 1.565 54.540 53.050 -0.125 0.000 0.856 76 N CB -0.216 38.180 38.487 -0.153 0.000 0.993 76 N HN 0.484 nan 8.380 nan 0.000 0.426 77 A N -0.815 121.923 122.820 -0.136 0.000 1.968 77 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 77 A C 2.076 179.647 177.584 -0.023 0.000 1.169 77 A CA 1.842 53.841 52.037 -0.063 0.000 0.638 77 A CB -0.902 18.070 19.000 -0.046 0.000 0.812 77 A HN 0.512 nan 8.150 nan 0.000 0.446 78 T N -1.134 113.399 114.554 -0.036 0.000 3.107 78 T HA 0.150 4.500 4.350 -0.000 0.000 0.249 78 T C 0.747 175.438 174.700 -0.014 0.000 1.096 78 T CA 0.174 62.266 62.100 -0.014 0.000 1.012 78 T CB -0.508 68.352 68.868 -0.013 0.000 0.977 78 T HN 0.691 nan 8.240 nan 0.000 0.527 79 Q N 1.555 121.341 119.800 -0.023 0.000 2.352 79 Q HA 0.378 4.718 4.340 -0.000 0.000 0.260 79 Q C -2.738 173.256 176.000 -0.009 0.000 0.976 79 Q CA -2.042 53.750 55.803 -0.019 0.000 0.881 79 Q CB -0.057 28.664 28.738 -0.027 0.000 1.235 79 Q HN 0.091 nan 8.270 nan 0.000 0.419 80 P HA -0.036 nan 4.420 nan 0.000 0.267 80 P C -0.092 177.208 177.300 0.000 0.000 1.200 80 P CA -0.156 62.943 63.100 -0.002 0.000 0.772 80 P CB 0.559 32.257 31.700 -0.004 0.000 0.855 81 N N 2.316 121.020 118.700 0.007 0.000 2.018 81 N HA -0.180 4.560 4.740 -0.000 0.000 0.196 81 N C 1.542 177.054 175.510 0.004 0.000 1.043 81 N CA 1.184 54.241 53.050 0.012 0.000 0.856 81 N CB -0.904 37.595 38.487 0.020 0.000 1.042 81 N HN 0.468 nan 8.380 nan 0.000 0.423 82 I N 0.636 121.207 120.570 0.001 0.000 2.286 82 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 82 I C 1.760 177.871 176.117 -0.010 0.000 1.115 82 I CA 1.143 62.441 61.300 -0.004 0.000 1.392 82 I CB -0.604 37.394 38.000 -0.003 0.000 1.065 82 I HN 0.118 nan 8.210 nan 0.000 0.418 83 L N 1.182 122.398 121.223 -0.012 0.000 2.083 83 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 83 L C 2.941 179.798 176.870 -0.022 0.000 1.083 83 L CA 1.356 56.185 54.840 -0.018 0.000 0.752 83 L CB -0.622 41.427 42.059 -0.017 0.000 0.899 83 L HN 0.330 nan 8.230 nan 0.000 0.433 84 A N -0.135 122.675 122.820 -0.017 0.000 1.883 84 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 84 A C 2.476 180.047 177.584 -0.023 0.000 1.186 84 A CA 1.868 53.893 52.037 -0.020 0.000 0.624 84 A CB -0.715 18.279 19.000 -0.010 0.000 0.822 84 A HN 0.443 nan 8.150 nan 0.000 0.444 85 A N -0.171 122.639 122.820 -0.017 0.000 1.873 85 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 85 A C 1.982 179.546 177.584 -0.033 0.000 1.186 85 A CA 1.596 53.620 52.037 -0.022 0.000 0.616 85 A CB -0.520 18.471 19.000 -0.015 0.000 0.823 85 A HN 0.381 nan 8.150 nan 0.000 0.442 86 I N 0.113 120.665 120.570 -0.031 0.000 2.151 86 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 86 I C 2.419 178.507 176.117 -0.047 0.000 1.080 86 I CA 1.505 62.784 61.300 -0.036 0.000 1.339 86 I CB -1.284 36.698 38.000 -0.031 0.000 1.039 86 I HN 0.337 nan 8.210 nan 0.000 0.409 87 R N 0.370 120.840 120.500 -0.050 0.000 2.280 87 R HA -0.070 4.270 4.340 -0.000 0.000 0.207 87 R C 2.263 178.511 176.300 -0.087 0.000 1.043 87 R CA 1.189 57.250 56.100 -0.065 0.000 1.006 87 R CB -0.190 30.073 30.300 -0.061 0.000 0.885 87 R HN 0.498 nan 8.270 nan 0.000 0.467 88 S N 0.178 115.831 115.700 -0.079 0.000 2.496 88 S HA 0.022 4.492 4.470 -0.000 0.000 0.224 88 S C 1.944 176.485 174.600 -0.098 0.000 0.996 88 S CA 0.190 58.332 58.200 -0.097 0.000 0.927 88 S CB -0.045 63.114 63.200 -0.069 0.000 0.774 88 S HN 0.205 nan 8.310 nan 0.000 0.524 89 L N 1.377 122.553 121.223 -0.078 0.000 2.017 89 L HA 0.006 4.345 4.340 -0.000 0.000 0.208 89 L C -0.494 176.332 176.870 -0.073 0.000 1.073 89 L CA 1.430 56.230 54.840 -0.068 0.000 0.745 89 L CB -1.818 40.208 42.059 -0.055 0.000 0.894 89 L HN 0.272 nan 8.230 nan 0.000 0.432 90 P HA -0.208 nan 4.420 nan 0.000 0.214 90 P C 1.842 179.081 177.300 -0.102 0.000 1.163 90 P CA 1.605 64.656 63.100 -0.082 0.000 0.889 90 P CB 0.004 31.651 31.700 -0.089 0.000 0.790 91 I N -1.477 118.998 120.570 -0.159 0.000 2.145 91 I HA -0.285 3.885 4.170 -0.000 0.000 0.244 91 I C 2.455 178.491 176.117 -0.135 0.000 1.075 91 I CA 1.553 62.711 61.300 -0.237 0.000 1.332 91 I CB -0.737 37.009 38.000 -0.422 0.000 1.033 91 I HN -0.081 nan 8.210 nan 0.000 0.410 92 L N 0.045 121.208 121.223 -0.100 0.000 2.046 92 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 92 L C 2.245 179.099 176.870 -0.027 0.000 1.077 92 L CA 1.554 56.361 54.840 -0.055 0.000 0.747 92 L CB -0.516 41.509 42.059 -0.056 0.000 0.896 92 L HN 0.265 nan 8.230 nan 0.000 0.432 93 D N -0.272 120.107 120.400 -0.034 0.000 2.104 93 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 93 D C 2.131 178.433 176.300 0.003 0.000 0.994 93 D CA 1.457 55.446 54.000 -0.019 0.000 0.830 93 D CB 0.095 40.877 40.800 -0.030 0.000 0.959 93 D HN 0.294 nan 8.370 nan 0.000 0.452 94 A N -0.183 122.634 122.820 -0.005 0.000 1.933 94 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 94 A C 2.286 179.922 177.584 0.087 0.000 1.175 94 A CA 1.341 53.392 52.037 0.023 0.000 0.628 94 A CB -0.522 18.475 19.000 -0.004 0.000 0.814 94 A HN 0.263 nan 8.150 nan 0.000 0.444 95 M N -1.357 118.297 119.600 0.089 0.000 2.086 95 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 95 M C 2.201 178.654 176.300 0.254 0.000 1.067 95 M CA 1.499 56.904 55.300 0.174 0.000 1.116 95 M CB -0.408 32.239 32.600 0.079 0.000 1.348 95 M HN 0.463 nan 8.290 nan 0.000 0.407 96 L N 0.419 121.723 121.223 0.135 0.000 2.141 96 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 96 L C 2.593 179.501 176.870 0.063 0.000 1.094 96 L CA 1.931 56.829 54.840 0.097 0.000 0.763 96 L CB -0.565 41.517 42.059 0.038 0.000 0.908 96 L HN 0.335 nan 8.230 nan 0.000 0.437 97 S N -0.954 114.783 115.700 0.061 0.000 2.402 97 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 97 S C 1.969 176.601 174.600 0.053 0.000 1.021 97 S CA 0.630 58.850 58.200 0.033 0.000 0.974 97 S CB -0.642 62.573 63.200 0.024 0.000 0.800 97 S HN 0.529 nan 8.310 nan 0.000 0.484 98 R N 1.066 121.656 120.500 0.149 0.000 2.328 98 R HA 0.212 4.552 4.340 -0.000 0.000 0.200 98 R C 1.483 177.828 176.300 0.075 0.000 0.983 98 R CA 0.445 56.671 56.100 0.210 0.000 1.062 98 R CB -0.373 30.185 30.300 0.430 0.000 0.956 98 R HN 0.665 nan 8.270 nan 0.000 0.479 99 G N 0.303 109.052 108.800 -0.084 0.000 2.176 99 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.232 99 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.232 99 G C -0.046 174.512 174.900 -0.569 0.000 0.986 99 G CA -0.555 44.253 45.100 -0.486 0.000 0.643 99 G HN 0.231 nan 8.290 nan 0.000 0.522 100 F N 2.587 122.521 119.950 -0.028 0.000 2.439 100 F HA 0.417 4.944 4.527 -0.000 0.000 0.356 100 F C 1.938 177.736 175.800 -0.004 0.000 1.161 100 F CA 0.762 58.794 58.000 0.053 0.000 1.151 100 F CB 1.123 40.208 39.000 0.140 0.000 1.222 100 F HN 0.108 nan 8.300 nan 0.000 0.558 101 T N -2.362 112.249 114.554 0.095 0.000 3.057 101 T HA 0.170 4.520 4.350 -0.000 0.000 0.254 101 T C 0.587 175.345 174.700 0.097 0.000 1.094 101 T CA 0.026 62.157 62.100 0.050 0.000 1.088 101 T CB 0.093 68.951 68.868 -0.016 0.000 0.934 101 T HN 0.299 nan 8.240 nan 0.000 0.497 102 S N 0.735 116.543 115.700 0.180 0.000 2.549 102 S HA 0.727 5.197 4.470 -0.000 0.000 0.280 102 S C -0.755 173.996 174.600 0.252 0.000 1.109 102 S CA -0.830 57.495 58.200 0.208 0.000 0.905 102 S CB 2.349 65.736 63.200 0.311 0.000 1.081 102 S HN 0.531 nan 8.310 nan 0.000 0.477 103 V N 0.300 120.341 119.914 0.211 0.000 3.001 103 V HA 0.733 4.853 4.120 -0.000 0.000 0.314 103 V C -0.648 175.612 176.094 0.277 0.000 1.099 103 V CA -1.213 61.199 62.300 0.188 0.000 0.989 103 V CB 1.876 33.743 31.823 0.073 0.000 1.040 103 V HN 0.863 nan 8.190 nan 0.000 0.434 104 R N 1.887 122.496 120.500 0.181 0.000 2.275 104 R HA 0.327 4.667 4.340 -0.000 0.000 0.326 104 R C -0.643 175.650 176.300 -0.011 0.000 0.973 104 R CA -0.390 55.800 56.100 0.149 0.000 0.854 104 R CB 0.715 31.052 30.300 0.063 0.000 1.156 104 R HN 1.035 nan 8.270 nan 0.000 0.487 105 D N 2.826 123.217 120.400 -0.016 0.000 2.350 105 D HA 0.087 4.727 4.640 -0.000 0.000 0.249 105 D C -0.305 175.881 176.300 -0.190 0.000 1.119 105 D CA 0.125 54.054 54.000 -0.119 0.000 0.886 105 D CB 1.452 42.225 40.800 -0.046 0.000 1.195 105 D HN 0.671 nan 8.370 nan 0.000 0.437 106 A N 2.825 125.401 122.820 -0.407 0.000 2.684 106 A HA 0.527 4.847 4.320 -0.000 0.000 0.288 106 A C 0.598 178.192 177.584 0.015 0.000 1.337 106 A CA 0.248 52.047 52.037 -0.396 0.000 0.946 106 A CB -0.256 18.095 19.000 -1.081 0.000 1.093 106 A HN 0.719 nan 8.150 nan 0.000 0.543 107 G N -1.907 106.931 108.800 0.064 0.000 3.393 107 G HA2 0.483 4.443 3.960 -0.000 0.000 0.676 107 G HA3 0.483 4.443 3.960 -0.000 0.000 0.676 107 G C 0.495 175.492 174.900 0.163 0.000 1.224 107 G CA 0.169 45.342 45.100 0.122 0.000 1.109 107 G HN 1.987 nan 8.290 nan 0.000 0.519 108 G N 0.757 109.596 108.800 0.066 0.000 3.432 108 G HA2 0.511 4.471 3.960 -0.000 0.000 0.188 108 G HA3 0.511 4.471 3.960 -0.000 0.000 0.188 108 G C 1.042 175.960 174.900 0.030 0.000 2.301 108 G CA 1.356 46.489 45.100 0.055 0.000 1.337 108 G HN 2.499 nan 8.290 nan 0.000 0.406 109 A N 1.660 124.498 122.820 0.030 0.000 2.498 109 A HA 0.522 4.842 4.320 -0.000 0.000 0.239 109 A C 0.457 178.053 177.584 0.020 0.000 1.068 109 A CA 1.389 53.434 52.037 0.013 0.000 0.766 109 A CB -0.070 18.929 19.000 -0.002 0.000 1.003 109 A HN 1.051 nan 8.150 nan 0.000 0.497 110 D N 0.327 120.746 120.400 0.032 0.000 2.666 110 D HA 0.150 4.790 4.640 -0.000 0.000 0.252 110 D C 0.632 177.002 176.300 0.117 0.000 1.143 110 D CA -0.731 53.318 54.000 0.080 0.000 1.096 110 D CB -0.275 40.586 40.800 0.102 0.000 1.260 110 D HN 0.556 nan 8.370 nan 0.000 0.633 111 W N 0.443 121.727 121.300 -0.027 0.000 2.425 111 W HA -0.076 4.584 4.660 -0.000 0.000 0.277 111 W C 1.726 178.228 176.519 -0.029 0.000 1.231 111 W CA 2.016 59.343 57.345 -0.029 0.000 1.248 111 W CB -0.028 29.419 29.460 -0.021 0.000 1.117 111 W HN 0.345 nan 8.180 nan 0.000 0.568 112 S N 0.543 116.265 115.700 0.036 0.000 2.387 112 S HA -0.192 4.278 4.470 -0.000 0.000 0.226 112 S C 1.899 176.368 174.600 -0.219 0.000 1.026 112 S CA 1.183 59.276 58.200 -0.179 0.000 0.972 112 S CB -0.891 62.330 63.200 0.034 0.000 0.814 112 S HN 0.381 nan 8.310 nan 0.000 0.477 113 L N 0.922 122.070 121.223 -0.126 0.000 2.056 113 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 113 L C 2.739 179.501 176.870 -0.180 0.000 1.078 113 L CA 1.502 56.268 54.840 -0.123 0.000 0.749 113 L CB -0.344 41.672 42.059 -0.071 0.000 0.901 113 L HN 0.406 nan 8.230 nan 0.000 0.433 114 M N -0.976 118.494 119.600 -0.216 0.000 2.108 114 M HA -0.276 4.204 4.480 -0.000 0.000 0.261 114 M C 2.186 178.279 176.300 -0.345 0.000 1.066 114 M CA 1.719 56.859 55.300 -0.266 0.000 1.107 114 M CB -0.118 32.328 32.600 -0.258 0.000 1.356 114 M HN 0.278 nan 8.290 nan 0.000 0.406 115 Q N -0.015 119.479 119.800 -0.511 0.000 2.167 115 Q HA -0.062 4.277 4.340 -0.000 0.000 0.202 115 Q C 2.122 177.939 176.000 -0.304 0.000 0.970 115 Q CA 1.668 57.167 55.803 -0.506 0.000 0.855 115 Q CB -0.614 27.653 28.738 -0.785 0.000 0.911 115 Q HN 0.697 nan 8.270 nan 0.000 0.438 116 A N 0.829 123.500 122.820 -0.249 0.000 1.877 116 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 116 A C 2.305 179.807 177.584 -0.138 0.000 1.186 116 A CA 2.073 54.011 52.037 -0.164 0.000 0.620 116 A CB -0.927 17.995 19.000 -0.130 0.000 0.822 116 A HN 0.301 nan 8.150 nan 0.000 0.443 117 V N -2.063 117.765 119.914 -0.144 0.000 2.427 117 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 117 V C 1.865 177.887 176.094 -0.120 0.000 1.051 117 V CA 2.425 64.654 62.300 -0.118 0.000 1.048 117 V CB -0.971 30.784 31.823 -0.113 0.000 0.666 117 V HN 0.588 nan 8.190 nan 0.000 0.456 118 E N 1.029 121.138 120.200 -0.151 0.000 2.204 118 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 118 E C 2.097 178.632 176.600 -0.109 0.000 0.989 118 E CA 1.614 57.933 56.400 -0.135 0.000 0.824 118 E CB -0.139 29.464 29.700 -0.162 0.000 0.756 118 E HN 0.911 nan 8.360 nan 0.000 0.477 119 T N -3.361 111.124 114.554 -0.115 0.000 3.086 119 T HA 0.266 4.616 4.350 -0.000 0.000 0.250 119 T C 1.336 175.994 174.700 -0.070 0.000 1.074 119 T CA 0.236 62.283 62.100 -0.088 0.000 0.988 119 T CB 0.686 69.498 68.868 -0.093 0.000 0.988 119 T HN 0.187 nan 8.240 nan 0.000 0.530 120 G N 1.221 109.977 108.800 -0.073 0.000 2.198 120 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 120 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 120 G C 0.436 175.303 174.900 -0.055 0.000 1.025 120 G CA 0.352 45.417 45.100 -0.059 0.000 0.769 120 G HN 0.509 nan 8.290 nan 0.000 0.507 121 L N -0.911 120.272 121.223 -0.066 0.000 2.395 121 L HA 0.512 4.852 4.340 -0.000 0.000 0.218 121 L C 1.050 177.887 176.870 -0.056 0.000 1.130 121 L CA 0.954 55.759 54.840 -0.059 0.000 0.826 121 L CB 0.533 42.552 42.059 -0.068 0.000 0.941 121 L HN 0.236 nan 8.230 nan 0.000 0.451 122 V N -1.842 118.035 119.914 -0.062 0.000 2.969 122 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 122 V C -0.687 175.375 176.094 -0.055 0.000 1.192 122 V CA -0.806 61.459 62.300 -0.058 0.000 0.962 122 V CB 2.246 34.030 31.823 -0.066 0.000 1.045 122 V HN -0.066 nan 8.190 nan 0.000 0.428 123 S N 2.519 118.192 115.700 -0.046 0.000 2.422 123 S HA 0.847 5.317 4.470 -0.000 0.000 0.298 123 S C 0.075 174.653 174.600 -0.037 0.000 1.118 123 S CA 0.505 58.681 58.200 -0.039 0.000 1.083 123 S CB 0.381 63.562 63.200 -0.031 0.000 0.971 123 S HN 1.450 nan 8.310 nan 0.000 0.478 124 G N 4.690 113.469 108.800 -0.035 0.000 2.430 124 G HA2 0.493 4.453 3.960 -0.000 0.000 0.300 124 G HA3 0.493 4.453 3.960 -0.000 0.000 0.300 124 G C -3.569 171.320 174.900 -0.019 0.000 1.330 124 G CA -0.858 44.228 45.100 -0.024 0.000 0.813 124 G HN 0.482 nan 8.290 nan 0.000 0.487 125 P HA 0.279 nan 4.420 nan 0.000 0.272 125 P C -0.209 177.064 177.300 -0.044 0.000 1.240 125 P CA -0.475 62.633 63.100 0.013 0.000 0.791 125 P CB 0.490 32.229 31.700 0.065 0.000 0.978 126 R N 2.139 122.598 120.500 -0.068 0.000 2.489 126 R HA 0.191 4.531 4.340 -0.000 0.000 0.287 126 R C -0.545 175.611 176.300 -0.239 0.000 1.053 126 R CA -0.011 55.981 56.100 -0.180 0.000 1.036 126 R CB -0.502 29.666 30.300 -0.220 0.000 0.966 126 R HN 0.383 nan 8.270 nan 0.000 0.432 127 I N 5.080 125.475 120.570 -0.292 0.000 2.359 127 I HA 0.214 4.384 4.170 -0.000 0.000 0.294 127 I C -0.560 175.314 176.117 -0.405 0.000 0.987 127 I CA -0.559 60.604 61.300 -0.228 0.000 1.225 127 I CB 1.190 39.111 38.000 -0.131 0.000 1.366 127 I HN 0.508 nan 8.210 nan 0.000 0.466 128 F N 7.136 127.081 119.950 -0.008 0.000 2.309 128 F HA 0.343 4.869 4.527 -0.000 0.000 0.366 128 F C -2.081 173.706 175.800 -0.022 0.000 1.104 128 F CA -2.220 55.778 58.000 -0.003 0.000 1.179 128 F CB 0.623 39.629 39.000 0.011 0.000 1.437 128 F HN 0.215 nan 8.300 nan 0.000 0.528 129 P HA 0.154 nan 4.420 nan 0.000 0.286 129 P C 0.150 177.471 177.300 0.035 0.000 1.269 129 P CA -0.222 62.908 63.100 0.049 0.000 0.787 129 P CB 1.899 33.626 31.700 0.046 0.000 0.920 130 S N 1.874 117.573 115.700 -0.001 0.000 2.489 130 S HA 0.138 4.608 4.470 -0.000 0.000 0.228 130 S C 1.406 175.987 174.600 -0.031 0.000 0.995 130 S CA 0.888 59.068 58.200 -0.033 0.000 0.934 130 S CB -0.802 62.373 63.200 -0.041 0.000 0.771 130 S HN 0.889 nan 8.310 nan 0.000 0.522 131 G N 1.927 110.718 108.800 -0.014 0.000 2.543 131 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.286 131 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.286 131 G C -0.455 174.409 174.900 -0.060 0.000 1.153 131 G CA 0.056 45.134 45.100 -0.037 0.000 0.968 131 G HN 0.439 nan 8.290 nan 0.000 0.544 132 K N 1.098 121.428 120.400 -0.116 0.000 2.164 132 K HA 0.691 5.011 4.320 -0.000 0.000 0.258 132 K C 0.346 176.904 176.600 -0.069 0.000 0.951 132 K CA -0.109 56.107 56.287 -0.118 0.000 0.844 132 K CB 2.090 34.438 32.500 -0.253 0.000 1.099 132 K HN 0.981 nan 8.250 nan 0.000 0.435 133 A N 3.199 126.007 122.820 -0.020 0.000 2.462 133 A HA 0.224 4.544 4.320 -0.000 0.000 0.243 133 A C 0.057 177.648 177.584 0.011 0.000 1.076 133 A CA -0.310 51.736 52.037 0.014 0.000 0.773 133 A CB -0.046 18.983 19.000 0.048 0.000 1.010 133 A HN 0.636 nan 8.150 nan 0.000 0.493 134 L N 2.242 123.498 121.223 0.054 0.000 2.276 134 L HA 0.501 4.841 4.340 -0.000 0.000 0.286 134 L C 0.572 177.583 176.870 0.236 0.000 1.061 134 L CA -0.107 54.805 54.840 0.120 0.000 0.807 134 L CB 1.162 43.275 42.059 0.089 0.000 1.177 134 L HN 0.714 nan 8.230 nan 0.000 0.429 135 S N 2.598 118.402 115.700 0.173 0.000 2.541 135 S HA 0.406 4.876 4.470 -0.000 0.000 0.280 135 S C -0.609 173.909 174.600 -0.137 0.000 1.112 135 S CA -0.864 57.329 58.200 -0.012 0.000 0.925 135 S CB 1.812 64.940 63.200 -0.121 0.000 1.067 135 S HN 0.666 nan 8.310 nan 0.000 0.479 136 Q N 2.269 121.681 119.800 -0.648 0.000 2.535 136 Q HA 0.395 4.735 4.340 -0.000 0.000 0.228 136 Q C -0.203 175.660 176.000 -0.228 0.000 1.062 136 Q CA -0.414 55.102 55.803 -0.479 0.000 0.967 136 Q CB -0.286 28.024 28.738 -0.714 0.000 1.273 136 Q HN 0.530 nan 8.270 nan 0.000 0.554 137 T N 0.686 115.162 114.554 -0.131 0.000 2.932 137 T HA 0.273 4.623 4.350 -0.000 0.000 0.312 137 T C 1.141 175.778 174.700 -0.105 0.000 1.071 137 T CA 0.752 62.800 62.100 -0.088 0.000 1.128 137 T CB 0.125 68.967 68.868 -0.044 0.000 0.984 137 T HN 0.982 nan 8.240 nan 0.000 0.549 138 G N 1.841 110.587 108.800 -0.090 0.000 2.200 138 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.268 138 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.268 138 G C 0.586 175.421 174.900 -0.108 0.000 0.986 138 G CA 0.324 45.373 45.100 -0.084 0.000 0.677 138 G HN 1.137 nan 8.290 nan 0.000 0.532 139 G N -1.965 106.742 108.800 -0.155 0.000 2.535 139 G HA2 0.425 4.385 3.960 -0.000 0.000 0.282 139 G HA3 0.425 4.385 3.960 -0.000 0.000 0.282 139 G C 0.623 175.425 174.900 -0.164 0.000 1.350 139 G CA 0.493 45.496 45.100 -0.160 0.000 1.039 139 G HN 0.464 nan 8.290 nan 0.000 0.509 140 H N -0.944 117.976 119.070 -0.249 0.000 2.518 140 H HA 0.008 4.564 4.556 -0.000 0.000 0.289 140 H C 2.243 177.294 175.328 -0.462 0.000 1.051 140 H CA 1.711 57.583 56.048 -0.293 0.000 1.280 140 H CB -0.049 29.523 29.762 -0.316 0.000 1.380 140 H HN 0.407 nan 8.280 nan 0.000 0.566 141 G N -1.222 107.261 108.800 -0.528 0.000 3.159 141 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.232 141 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.232 141 G C -0.225 174.194 174.900 -0.801 0.000 1.116 141 G CA -0.031 44.649 45.100 -0.700 0.000 0.767 141 G HN 0.290 nan 8.290 nan 0.000 0.547 142 D N 0.247 120.276 120.400 -0.618 0.000 2.313 142 D HA 0.284 4.924 4.640 -0.000 0.000 0.239 142 D C -0.195 175.824 176.300 -0.468 0.000 1.142 142 D CA -0.834 52.922 54.000 -0.408 0.000 0.847 142 D CB 0.722 41.398 40.800 -0.207 0.000 1.082 142 D HN 0.018 nan 8.370 nan 0.000 0.480 143 F N 2.181 122.110 119.950 -0.036 0.000 2.641 143 F HA 0.262 4.789 4.527 -0.000 0.000 0.302 143 F C 1.195 176.987 175.800 -0.014 0.000 1.098 143 F CA -0.392 57.589 58.000 -0.031 0.000 1.318 143 F CB 0.119 39.096 39.000 -0.039 0.000 1.035 143 F HN 0.008 nan 8.300 nan 0.000 0.551 144 R N 2.407 122.961 120.500 0.092 0.000 2.389 144 R HA 0.205 4.545 4.340 -0.000 0.000 0.295 144 R C -2.157 174.174 176.300 0.051 0.000 1.075 144 R CA -1.572 54.569 56.100 0.067 0.000 1.005 144 R CB -0.097 30.225 30.300 0.036 0.000 0.987 144 R HN -0.054 nan 8.270 nan 0.000 0.452 145 P HA 0.016 nan 4.420 nan 0.000 0.272 145 P C -0.320 176.996 177.300 0.026 0.000 1.223 145 P CA -0.322 62.802 63.100 0.040 0.000 0.784 145 P CB 0.683 32.405 31.700 0.036 0.000 0.923 151 E N 1.655 121.859 120.200 0.007 0.000 2.014 151 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 151 E C -1.229 175.376 176.600 0.007 0.000 0.997 151 E CA -0.971 55.433 56.400 0.007 0.000 0.804 151 E CB 1.728 31.431 29.700 0.004 0.000 1.090 151 E HN 0.279 nan 8.360 nan 0.000 0.401 152 P HA 0.213 nan 4.420 nan 0.000 0.203 152 P C 0.500 177.805 177.300 0.008 0.000 1.206 152 P CA 0.161 63.266 63.100 0.009 0.000 0.896 152 P CB 0.506 32.213 31.700 0.012 0.000 0.728 153 C N -3.363 115.943 119.300 0.011 0.000 3.230 153 C HA 0.526 4.985 4.460 -0.000 0.000 0.359 153 C C 0.166 175.163 174.990 0.013 0.000 2.377 153 C CA 1.108 60.130 59.018 0.007 0.000 1.124 153 C CB 0.683 28.424 27.740 0.002 0.000 2.697 153 C HN 0.731 nan 8.230 nan 0.000 0.403 154 S N -1.094 114.607 115.700 0.002 0.000 7.267 154 S HA 0.024 4.493 4.470 -0.000 0.000 0.045 154 S C 1.092 175.667 174.600 -0.040 0.000 1.477 154 S CA 1.472 59.675 58.200 0.005 0.000 1.048 154 S CB -1.079 62.146 63.200 0.042 0.000 1.109 154 S HN 2.707 nan 8.310 nan 0.000 0.538 155 C N 1.251 120.502 119.300 -0.082 0.000 5.886 155 C HA -0.168 4.292 4.460 -0.000 0.000 0.328 155 C C 0.920 175.723 174.990 -0.312 0.000 2.431 155 C CA 0.472 59.399 59.018 -0.152 0.000 2.195 155 C CB -1.810 25.872 27.740 -0.097 0.000 3.234 155 C HN 1.289 nan 8.230 nan 0.000 0.262 156 C N 0.639 119.773 119.300 -0.276 0.000 2.634 156 C HA 0.687 5.147 4.460 -0.000 0.000 0.313 156 C C -0.396 174.450 174.990 -0.240 0.000 1.198 156 C CA -0.449 58.358 59.018 -0.351 0.000 1.605 156 C CB 0.741 28.382 27.740 -0.164 0.000 2.196 156 C HN 0.494 nan 8.230 nan 0.000 0.486 157 F N 4.664 124.624 119.950 0.016 0.000 2.405 157 F HA 0.320 4.847 4.527 0.000 0.000 0.358 157 F C 1.179 176.990 175.800 0.019 0.000 1.151 157 F CA -0.543 57.469 58.000 0.020 0.000 1.161 157 F CB 0.403 39.417 39.000 0.023 0.000 1.245 157 F HN 0.356 nan 8.300 nan 0.000 0.545 158 R N 1.406 122.033 120.500 0.211 0.000 2.489 158 R HA 0.038 4.378 4.340 -0.000 0.000 0.287 158 R C 1.120 177.485 176.300 0.108 0.000 1.053 158 R CA 0.130 56.301 56.100 0.119 0.000 1.036 158 R CB 0.045 30.396 30.300 0.085 0.000 0.966 158 R HN 0.646 nan 8.270 nan 0.000 0.432 159 T N -1.096 113.503 114.554 0.075 0.000 3.113 159 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 159 T C 1.506 176.226 174.700 0.033 0.000 1.143 159 T CA 0.829 62.963 62.100 0.056 0.000 1.090 159 T CB 0.139 69.033 68.868 0.043 0.000 0.922 159 T HN 0.698 nan 8.240 nan 0.000 0.521 160 G N 0.428 109.243 108.800 0.026 0.000 3.337 160 G HA2 0.543 4.503 3.960 -0.000 0.000 0.246 160 G HA3 0.543 4.503 3.960 -0.000 0.000 0.246 160 G C 0.347 175.245 174.900 -0.003 0.000 1.131 160 G CA -0.109 44.992 45.100 0.002 0.000 0.773 160 G HN 0.737 nan 8.290 nan 0.000 0.544 161 A N 0.637 123.474 122.820 0.028 0.000 2.289 161 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 161 A C 1.083 178.687 177.584 0.034 0.000 1.208 161 A CA -0.528 51.536 52.037 0.045 0.000 0.845 161 A CB 0.669 19.727 19.000 0.096 0.000 1.125 161 A HN 0.029 nan 8.150 nan 0.000 0.517 162 I N 1.475 122.072 120.570 0.045 0.000 2.233 162 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 162 I C 1.540 177.676 176.117 0.030 0.000 1.093 162 I CA 1.768 63.083 61.300 0.025 0.000 1.380 162 I CB -1.231 36.752 38.000 -0.028 0.000 1.067 162 I HN 0.670 nan 8.210 nan 0.000 0.413 163 A N 0.950 123.804 122.820 0.057 0.000 2.387 163 A HA 0.771 5.091 4.320 -0.000 0.000 0.303 163 A C -0.096 177.483 177.584 -0.008 0.000 1.145 163 A CA -0.636 51.401 52.037 -0.001 0.000 0.801 163 A CB 1.452 20.422 19.000 -0.050 0.000 1.342 163 A HN 0.302 nan 8.150 nan 0.000 0.440 164 R N -0.214 120.267 120.500 -0.031 0.000 2.750 164 R HA 0.688 5.028 4.340 -0.000 0.000 0.281 164 R C -1.799 174.528 176.300 0.045 0.000 0.972 164 R CA -0.717 55.394 56.100 0.019 0.000 0.912 164 R CB 1.503 31.766 30.300 -0.062 0.000 1.187 164 R HN 0.260 nan 8.270 nan 0.000 0.464 165 V N 3.267 123.225 119.914 0.073 0.000 2.372 165 V HA 0.259 4.378 4.120 -0.000 0.000 0.261 165 V C -0.029 176.121 176.094 0.094 0.000 1.055 165 V CA -0.402 61.930 62.300 0.053 0.000 0.930 165 V CB 0.803 32.639 31.823 0.022 0.000 1.031 165 V HN 0.602 nan 8.190 nan 0.000 0.479 166 V N 1.893 121.884 119.914 0.128 0.000 2.656 166 V HA 0.748 4.868 4.120 -0.000 0.000 0.307 166 V C -0.911 175.309 176.094 0.209 0.000 1.051 166 V CA -0.907 61.480 62.300 0.144 0.000 0.893 166 V CB 2.017 33.918 31.823 0.130 0.000 0.999 166 V HN 0.719 nan 8.190 nan 0.000 0.426 167 D N 1.537 122.028 120.400 0.152 0.000 2.423 167 D HA 0.819 5.459 4.640 -0.000 0.000 0.235 167 D C 0.312 176.686 176.300 0.124 0.000 1.011 167 D CA 0.562 54.666 54.000 0.174 0.000 0.963 167 D CB 1.731 42.588 40.800 0.096 0.000 1.349 167 D HN 1.398 nan 8.370 nan 0.000 0.508 168 G N -1.118 107.755 108.800 0.121 0.000 2.716 168 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 168 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 168 G C 0.664 175.585 174.900 0.034 0.000 1.337 168 G CA -0.432 44.708 45.100 0.067 0.000 0.829 168 G HN 0.409 nan 8.290 nan 0.000 0.599 169 V N 1.274 121.198 119.914 0.016 0.000 2.295 169 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 169 V C 2.679 178.766 176.094 -0.011 0.000 1.049 169 V CA 2.752 65.047 62.300 -0.009 0.000 1.024 169 V CB -0.450 31.370 31.823 -0.004 0.000 0.648 169 V HN 0.782 nan 8.190 nan 0.000 0.447 170 E N 0.528 120.729 120.200 0.002 0.000 2.107 170 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 170 E C 2.347 178.950 176.600 0.006 0.000 0.982 170 E CA 1.302 57.703 56.400 0.002 0.000 0.809 170 E CB -0.672 29.032 29.700 0.007 0.000 0.756 170 E HN 0.609 nan 8.360 nan 0.000 0.459 171 G N 1.839 110.649 108.800 0.016 0.000 2.421 171 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 171 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 171 G C 1.860 176.770 174.900 0.017 0.000 1.171 171 G CA 1.777 46.894 45.100 0.028 0.000 0.775 171 G HN 0.302 nan 8.290 nan 0.000 0.543 172 V N -1.421 118.488 119.914 -0.008 0.000 2.453 172 V HA 0.038 4.158 4.120 -0.000 0.000 0.247 172 V C 2.499 178.560 176.094 -0.055 0.000 1.048 172 V CA 1.925 64.191 62.300 -0.056 0.000 1.049 172 V CB -0.638 31.082 31.823 -0.172 0.000 0.672 172 V HN 0.269 nan 8.190 nan 0.000 0.457 173 R N -0.323 120.151 120.500 -0.043 0.000 2.083 173 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 173 R C 2.334 178.621 176.300 -0.020 0.000 1.137 173 R CA 2.205 58.285 56.100 -0.033 0.000 0.951 173 R CB -0.545 29.741 30.300 -0.023 0.000 0.851 173 R HN 0.563 nan 8.270 nan 0.000 0.434 174 L N 0.580 121.799 121.223 -0.007 0.000 1.994 174 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 174 L C 2.306 179.180 176.870 0.008 0.000 1.071 174 L CA 2.194 57.036 54.840 0.004 0.000 0.745 174 L CB -0.856 41.212 42.059 0.016 0.000 0.892 174 L HN 0.187 nan 8.230 nan 0.000 0.431 175 A N -0.974 121.853 122.820 0.012 0.000 1.903 175 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 175 A C 2.266 179.842 177.584 -0.014 0.000 1.191 175 A CA 2.551 54.596 52.037 0.014 0.000 0.638 175 A CB -1.319 17.688 19.000 0.013 0.000 0.823 175 A HN 0.357 nan 8.150 nan 0.000 0.451 176 V N -0.162 119.734 119.914 -0.030 0.000 2.295 176 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 176 V C 2.574 178.649 176.094 -0.033 0.000 1.049 176 V CA 2.284 64.559 62.300 -0.042 0.000 1.024 176 V CB -0.879 30.914 31.823 -0.051 0.000 0.648 176 V HN 0.541 nan 8.190 nan 0.000 0.447 177 R N -0.241 120.244 120.500 -0.024 0.000 2.152 177 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 177 R C 2.259 178.547 176.300 -0.020 0.000 1.117 177 R CA 1.469 57.556 56.100 -0.022 0.000 0.981 177 R CB -0.227 30.064 30.300 -0.016 0.000 0.870 177 R HN 0.651 nan 8.270 nan 0.000 0.451 178 E N 0.323 120.517 120.200 -0.010 0.000 2.016 178 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 178 E C 1.944 178.532 176.600 -0.020 0.000 0.985 178 E CA 0.768 57.168 56.400 0.000 0.000 0.802 178 E CB 0.107 29.831 29.700 0.039 0.000 0.762 178 E HN 0.197 nan 8.360 nan 0.000 0.448 179 E N 0.690 120.870 120.200 -0.033 0.000 2.085 179 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 179 E C 2.170 178.742 176.600 -0.045 0.000 0.994 179 E CA 0.882 57.252 56.400 -0.049 0.000 0.801 179 E CB -0.288 29.374 29.700 -0.064 0.000 0.743 179 E HN 0.255 nan 8.360 nan 0.000 0.453 180 I N 1.341 121.884 120.570 -0.045 0.000 2.142 180 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 180 I C 2.759 178.837 176.117 -0.064 0.000 1.078 180 I CA 1.241 62.514 61.300 -0.045 0.000 1.343 180 I CB -0.253 37.724 38.000 -0.039 0.000 1.046 180 I HN 0.078 nan 8.210 nan 0.000 0.405 181 Q N 1.129 120.889 119.800 -0.066 0.000 2.077 181 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 181 Q C 2.153 178.063 176.000 -0.149 0.000 0.989 181 Q CA 1.844 57.590 55.803 -0.095 0.000 0.853 181 Q CB -0.136 28.560 28.738 -0.070 0.000 0.907 181 Q HN 0.487 nan 8.270 nan 0.000 0.418 182 K N -1.326 119.006 120.400 -0.113 0.000 2.280 182 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 182 K C 0.969 177.464 176.600 -0.175 0.000 1.047 182 K CA 0.824 57.033 56.287 -0.130 0.000 0.942 182 K CB 0.010 32.487 32.500 -0.039 0.000 0.739 182 K HN 0.472 nan 8.250 nan 0.000 0.457 183 G N 0.421 109.150 108.800 -0.118 0.000 2.186 183 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.130 183 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.130 183 G C -0.021 174.935 174.900 0.093 0.000 1.031 183 G CA -0.238 44.821 45.100 -0.068 0.000 0.697 183 G HN 0.407 nan 8.290 nan 0.000 0.494 184 A N -0.075 122.768 122.820 0.038 0.000 2.466 184 A HA 0.691 5.011 4.320 -0.000 0.000 0.238 184 A C 1.649 179.257 177.584 0.041 0.000 1.074 184 A CA 1.421 53.479 52.037 0.036 0.000 0.774 184 A CB 0.338 19.328 19.000 -0.016 0.000 1.015 184 A HN 1.468 nan 8.150 nan 0.000 0.498 185 T N -1.707 112.878 114.554 0.052 0.000 3.023 185 T HA 0.215 4.565 4.350 -0.000 0.000 0.249 185 T C 0.607 175.271 174.700 -0.059 0.000 1.050 185 T CA 0.747 62.890 62.100 0.072 0.000 1.088 185 T CB -0.023 68.980 68.868 0.225 0.000 0.946 185 T HN 0.911 nan 8.240 nan 0.000 0.480 186 Q N 0.341 120.040 119.800 -0.168 0.000 2.857 186 Q HA 0.528 4.868 4.340 -0.000 0.000 0.319 186 Q C -1.885 173.949 176.000 -0.277 0.000 0.963 186 Q CA -1.145 54.402 55.803 -0.427 0.000 0.770 186 Q CB 1.138 29.329 28.738 -0.911 0.000 1.492 186 Q HN 0.180 nan 8.270 nan 0.000 0.493 187 I N 1.210 121.598 120.570 -0.303 0.000 2.436 187 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 187 I C -0.394 175.656 176.117 -0.111 0.000 1.010 187 I CA -0.601 60.604 61.300 -0.159 0.000 1.098 187 I CB 1.456 39.384 38.000 -0.121 0.000 1.266 187 I HN 0.716 nan 8.210 nan 0.000 0.434 188 K N 7.908 128.277 120.400 -0.052 0.000 2.235 188 K HA 0.741 5.061 4.320 -0.000 0.000 0.266 188 K C -0.937 175.695 176.600 0.053 0.000 0.980 188 K CA -0.401 55.894 56.287 0.013 0.000 0.849 188 K CB 1.292 33.808 32.500 0.026 0.000 1.098 188 K HN 0.642 nan 8.250 nan 0.000 0.445 189 I N 0.231 120.862 120.570 0.101 0.000 2.785 189 I HA 0.522 4.692 4.170 -0.000 0.000 0.302 189 I C -0.813 175.431 176.117 0.213 0.000 1.069 189 I CA -1.129 60.264 61.300 0.155 0.000 1.045 189 I CB 2.036 40.112 38.000 0.126 0.000 1.236 189 I HN 0.356 nan 8.210 nan 0.000 0.429 190 M N 4.478 124.214 119.600 0.226 0.000 2.063 190 M HA 0.391 4.871 4.480 -0.000 0.000 0.348 190 M C 0.449 176.877 176.300 0.213 0.000 1.180 190 M CA -0.316 55.093 55.300 0.182 0.000 1.059 190 M CB 0.585 33.216 32.600 0.052 0.000 1.544 190 M HN 0.919 nan 8.290 nan 0.000 0.447 191 A N 2.293 125.256 122.820 0.238 0.000 2.348 191 A HA 0.376 4.696 4.320 -0.000 0.000 0.224 191 A C 0.779 178.445 177.584 0.136 0.000 1.227 191 A CA 0.226 52.380 52.037 0.195 0.000 0.885 191 A CB 0.344 19.442 19.000 0.163 0.000 0.933 191 A HN 0.748 nan 8.150 nan 0.000 0.506 192 S N -1.893 113.906 115.700 0.164 0.000 2.588 192 S HA 0.567 5.037 4.470 -0.000 0.000 0.269 192 S C 0.259 174.938 174.600 0.132 0.000 1.157 192 S CA 0.072 58.347 58.200 0.124 0.000 0.824 192 S CB 0.552 63.805 63.200 0.089 0.000 1.126 192 S HN 0.988 nan 8.310 nan 0.000 0.464 193 G N 0.246 109.107 108.800 0.101 0.000 2.664 193 G HA2 0.513 4.473 3.960 -0.000 0.000 0.242 193 G HA3 0.513 4.473 3.960 -0.000 0.000 0.242 193 G C 0.470 175.452 174.900 0.137 0.000 1.225 193 G CA 0.175 45.326 45.100 0.084 0.000 0.849 193 G HN 1.206 nan 8.290 nan 0.000 0.581 194 G N -1.985 106.830 108.800 0.024 0.000 3.058 194 G HA2 0.470 4.430 3.960 -0.000 0.000 0.282 194 G HA3 0.470 4.430 3.960 -0.000 0.000 0.282 194 G C 0.141 175.109 174.900 0.113 0.000 1.248 194 G CA 0.389 45.450 45.100 -0.065 0.000 0.822 194 G HN 0.718 nan 8.290 nan 0.000 0.579 195 V N 0.082 120.137 119.914 0.235 0.000 2.911 195 V HA 0.274 4.394 4.120 -0.000 0.000 0.237 195 V C 2.629 178.880 176.094 0.261 0.000 1.156 195 V CA 1.453 63.877 62.300 0.207 0.000 1.180 195 V CB 0.315 32.260 31.823 0.204 0.000 0.932 195 V HN 0.807 nan 8.190 nan 0.000 0.483 196 A N 0.895 123.950 122.820 0.392 0.000 2.238 196 A HA 0.241 4.560 4.320 -0.000 0.000 0.208 196 A C 1.097 178.878 177.584 0.328 0.000 1.177 196 A CA 0.665 52.878 52.037 0.293 0.000 0.804 196 A CB -0.400 18.744 19.000 0.240 0.000 0.823 196 A HN 0.577 nan 8.150 nan 0.000 0.482 197 S N -0.838 115.042 115.700 0.301 0.000 2.537 197 S HA 0.563 5.033 4.470 -0.000 0.000 0.301 197 S C -1.924 172.768 174.600 0.152 0.000 1.092 197 S CA -1.347 56.968 58.200 0.192 0.000 1.048 197 S CB 1.929 65.124 63.200 -0.009 0.000 1.053 197 S HN 0.096 nan 8.310 nan 0.000 0.501 198 P HA -0.049 nan 4.420 nan 0.000 0.215 198 P C 1.395 178.728 177.300 0.055 0.000 1.157 198 P CA 1.646 64.801 63.100 0.092 0.000 0.856 198 P CB -0.361 31.394 31.700 0.092 0.000 0.786 199 T N -3.421 111.152 114.554 0.031 0.000 3.037 199 T HA 0.022 4.372 4.350 -0.000 0.000 0.252 199 T C 0.573 175.280 174.700 0.012 0.000 1.073 199 T CA -0.170 61.938 62.100 0.015 0.000 1.091 199 T CB -0.704 68.163 68.868 -0.002 0.000 0.935 199 T HN 0.120 nan 8.240 nan 0.000 0.488 200 D N 3.350 123.762 120.400 0.020 0.000 2.317 200 D HA 0.308 4.948 4.640 -0.000 0.000 0.234 200 D C -2.758 173.561 176.300 0.032 0.000 1.112 200 D CA -2.128 51.884 54.000 0.021 0.000 0.840 200 D CB 1.546 42.358 40.800 0.020 0.000 1.078 200 D HN 0.170 nan 8.370 nan 0.000 0.486 201 P HA 0.001 nan 4.420 nan 0.000 0.269 201 P C 1.064 178.373 177.300 0.015 0.000 1.217 201 P CA -0.460 62.645 63.100 0.009 0.000 0.783 201 P CB 1.452 33.152 31.700 -0.001 0.000 0.898 202 I N 0.460 121.026 120.570 -0.006 0.000 2.761 202 I HA -0.127 4.042 4.170 -0.000 0.000 0.261 202 I C 1.773 177.909 176.117 0.033 0.000 1.198 202 I CA 1.183 62.488 61.300 0.008 0.000 1.482 202 I CB -0.217 37.706 38.000 -0.127 0.000 1.100 202 I HN 0.290 nan 8.210 nan 0.000 0.445 203 A N 1.965 124.787 122.820 0.003 0.000 1.930 203 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 203 A C 1.087 178.684 177.584 0.021 0.000 1.175 203 A CA 1.147 53.188 52.037 0.006 0.000 0.627 203 A CB -1.006 17.989 19.000 -0.009 0.000 0.815 203 A HN 0.773 nan 8.150 nan 0.000 0.443 204 N N 0.479 119.192 118.700 0.021 0.000 2.530 204 N HA 0.281 5.021 4.740 -0.000 0.000 0.277 204 N C -0.039 175.490 175.510 0.031 0.000 1.168 204 N CA 0.249 53.311 53.050 0.021 0.000 0.979 204 N CB 0.595 39.088 38.487 0.010 0.000 1.141 204 N HN 0.253 nan 8.380 nan 0.000 0.459 205 T N -1.022 113.549 114.554 0.028 0.000 2.816 205 T HA 0.212 4.562 4.350 -0.000 0.000 0.282 205 T C -0.154 174.559 174.700 0.022 0.000 0.993 205 T CA -0.519 61.604 62.100 0.037 0.000 0.994 205 T CB 1.186 70.078 68.868 0.041 0.000 1.025 205 T HN 0.633 nan 8.240 nan 0.000 0.529 206 Q N -0.056 119.763 119.800 0.031 0.000 2.359 206 Q HA 0.505 4.845 4.340 -0.000 0.000 0.274 206 Q C -1.680 174.354 176.000 0.056 0.000 1.074 206 Q CA -0.910 54.874 55.803 -0.032 0.000 0.810 206 Q CB 2.264 30.940 28.738 -0.103 0.000 1.342 206 Q HN 0.825 nan 8.270 nan 0.000 0.427 207 Y N -0.574 119.739 120.300 0.022 0.000 2.554 207 Y HA -0.286 4.264 4.550 -0.000 0.000 0.023 207 Y C 0.238 176.148 175.900 0.016 0.000 1.752 207 Y CA 0.120 58.231 58.100 0.018 0.000 1.386 207 Y CB -0.398 38.074 38.460 0.020 0.000 2.034 207 Y HN 0.738 nan 8.280 nan 0.000 0.261 208 S N 2.149 117.978 115.700 0.215 0.000 2.576 208 S HA 0.091 4.561 4.470 -0.000 0.000 0.272 208 S C 0.900 175.553 174.600 0.087 0.000 1.352 208 S CA -0.031 58.238 58.200 0.115 0.000 1.021 208 S CB 1.351 64.602 63.200 0.085 0.000 0.887 208 S HN 0.678 nan 8.310 nan 0.000 0.542 209 E N 1.022 121.255 120.200 0.055 0.000 2.153 209 E HA -0.181 4.168 4.350 -0.000 0.000 0.194 209 E C 1.107 177.716 176.600 0.014 0.000 0.988 209 E CA 1.350 57.769 56.400 0.033 0.000 0.811 209 E CB -0.214 29.502 29.700 0.025 0.000 0.746 209 E HN 0.681 nan 8.360 nan 0.000 0.466 210 D N 1.090 121.500 120.400 0.017 0.000 2.097 210 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 210 D C 1.831 178.119 176.300 -0.019 0.000 0.989 210 D CA 0.986 54.988 54.000 0.003 0.000 0.827 210 D CB -0.104 40.703 40.800 0.011 0.000 0.966 210 D HN 0.255 nan 8.370 nan 0.000 0.456 211 E N 0.441 120.629 120.200 -0.020 0.000 2.023 211 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 211 E C 2.397 178.899 176.600 -0.164 0.000 1.003 211 E CA 0.776 57.118 56.400 -0.097 0.000 0.809 211 E CB -0.123 29.528 29.700 -0.081 0.000 0.755 211 E HN 0.286 nan 8.360 nan 0.000 0.449 212 I N 0.522 121.020 120.570 -0.120 0.000 2.208 212 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 212 I C 2.621 178.696 176.117 -0.069 0.000 1.097 212 I CA 1.155 62.392 61.300 -0.105 0.000 1.363 212 I CB -0.285 37.701 38.000 -0.023 0.000 1.051 212 I HN 0.042 nan 8.210 nan 0.000 0.413 213 R N 0.574 121.049 120.500 -0.042 0.000 2.092 213 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 213 R C 2.471 178.750 176.300 -0.034 0.000 1.119 213 R CA 1.327 57.411 56.100 -0.027 0.000 0.970 213 R CB -0.288 30.004 30.300 -0.012 0.000 0.864 213 R HN 0.393 nan 8.270 nan 0.000 0.440 214 A N 1.089 123.881 122.820 -0.048 0.000 1.877 214 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 214 A C 2.082 179.630 177.584 -0.059 0.000 1.186 214 A CA 1.255 53.263 52.037 -0.048 0.000 0.620 214 A CB -0.475 18.494 19.000 -0.052 0.000 0.822 214 A HN 0.206 nan 8.150 nan 0.000 0.443 215 I N -0.509 120.006 120.570 -0.092 0.000 2.208 215 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 215 I C 2.348 178.429 176.117 -0.059 0.000 1.097 215 I CA 1.228 62.470 61.300 -0.096 0.000 1.363 215 I CB -0.308 37.601 38.000 -0.152 0.000 1.051 215 I HN 0.160 nan 8.210 nan 0.000 0.413 216 V N 0.638 120.527 119.914 -0.042 0.000 2.358 216 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 216 V C 2.042 178.133 176.094 -0.005 0.000 1.047 216 V CA 1.968 64.261 62.300 -0.013 0.000 1.035 216 V CB -0.644 31.179 31.823 -0.001 0.000 0.658 216 V HN 0.398 nan 8.190 nan 0.000 0.452 217 D N -0.315 120.078 120.400 -0.011 0.000 2.117 217 D HA -0.139 4.500 4.640 -0.000 0.000 0.197 217 D C 2.271 178.566 176.300 -0.007 0.000 0.987 217 D CA 1.021 55.018 54.000 -0.005 0.000 0.829 217 D CB -0.167 40.628 40.800 -0.008 0.000 0.961 217 D HN 0.401 nan 8.370 nan 0.000 0.460 218 E N 0.701 120.890 120.200 -0.019 0.000 2.072 218 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 218 E C 2.133 178.721 176.600 -0.020 0.000 0.985 218 E CA 0.762 57.149 56.400 -0.021 0.000 0.801 218 E CB -0.354 29.327 29.700 -0.031 0.000 0.750 218 E HN 0.211 nan 8.360 nan 0.000 0.452 219 A N 1.640 124.445 122.820 -0.024 0.000 1.883 219 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 219 A C 2.068 179.655 177.584 0.005 0.000 1.186 219 A CA 1.714 53.736 52.037 -0.025 0.000 0.624 219 A CB -0.532 18.445 19.000 -0.038 0.000 0.822 219 A HN 0.217 nan 8.150 nan 0.000 0.444 220 E N -0.510 119.702 120.200 0.020 0.000 2.150 220 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 220 E C 2.204 178.818 176.600 0.023 0.000 0.985 220 E CA 0.728 57.148 56.400 0.034 0.000 0.814 220 E CB -0.246 29.475 29.700 0.036 0.000 0.752 220 E HN 0.628 nan 8.360 nan 0.000 0.466 221 A N 1.094 123.921 122.820 0.011 0.000 2.019 221 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 221 A C 2.102 179.690 177.584 0.007 0.000 1.164 221 A CA 1.419 53.460 52.037 0.007 0.000 0.644 221 A CB -0.146 18.854 19.000 0.000 0.000 0.805 221 A HN 0.231 nan 8.150 nan 0.000 0.449 222 A N -0.778 122.046 122.820 0.006 0.000 2.460 222 A HA 0.328 4.648 4.320 -0.000 0.000 0.258 222 A C 0.479 178.074 177.584 0.019 0.000 1.300 222 A CA -0.007 52.033 52.037 0.005 0.000 0.913 222 A CB -0.369 18.626 19.000 -0.008 0.000 1.031 222 A HN 0.434 nan 8.150 nan 0.000 0.512 223 N N 0.219 118.937 118.700 0.030 0.000 2.725 223 N HA -0.138 4.602 4.740 -0.000 0.000 0.251 223 N C 0.031 175.580 175.510 0.066 0.000 1.031 223 N CA 1.595 54.674 53.050 0.047 0.000 0.720 223 N CB -1.382 37.131 38.487 0.043 0.000 0.930 223 N HN 0.650 nan 8.380 nan 0.000 0.543 224 T N -1.443 113.152 114.554 0.068 0.000 2.598 224 T HA 0.691 5.041 4.350 -0.000 0.000 0.289 224 T C -1.586 173.200 174.700 0.144 0.000 1.056 224 T CA -0.484 61.676 62.100 0.100 0.000 1.088 224 T CB 1.207 70.063 68.868 -0.020 0.000 1.519 224 T HN 0.229 nan 8.240 nan 0.000 0.488 225 Y N -1.273 119.026 120.300 -0.002 0.000 2.669 225 Y HA 0.854 5.404 4.550 -0.000 0.000 0.335 225 Y C -1.387 174.512 175.900 -0.002 0.000 1.116 225 Y CA -1.300 56.801 58.100 0.001 0.000 1.081 225 Y CB 0.771 39.233 38.460 0.002 0.000 1.297 225 Y HN 0.348 nan 8.280 nan 0.000 0.484 226 V N 4.157 124.130 119.914 0.098 0.000 2.427 226 V HA 0.363 4.483 4.120 -0.000 0.000 0.286 226 V C 0.185 176.381 176.094 0.170 0.000 1.034 226 V CA -0.831 61.479 62.300 0.017 0.000 0.893 226 V CB 1.250 33.090 31.823 0.030 0.000 0.982 226 V HN 0.838 nan 8.190 nan 0.000 0.452 227 M N 3.725 123.371 119.600 0.077 0.000 2.367 227 M HA 0.922 5.402 4.480 -0.000 0.000 0.339 227 M C -0.463 175.912 176.300 0.124 0.000 1.177 227 M CA -0.348 55.043 55.300 0.151 0.000 1.068 227 M CB 1.700 34.386 32.600 0.144 0.000 1.602 227 M HN 0.570 nan 8.290 nan 0.000 0.457 228 A N 1.492 124.397 122.820 0.141 0.000 2.398 228 A HA 0.487 4.807 4.320 -0.000 0.000 0.301 228 A C -1.554 176.141 177.584 0.186 0.000 1.041 228 A CA -0.672 51.458 52.037 0.156 0.000 0.711 228 A CB 0.794 19.865 19.000 0.119 0.000 1.240 228 A HN 1.037 nan 8.150 nan 0.000 0.420 229 H N 1.838 120.983 119.070 0.125 0.000 2.742 229 H HA 0.658 5.214 4.556 -0.000 0.000 0.302 229 H C -0.172 175.142 175.328 -0.023 0.000 1.069 229 H CA 0.577 56.691 56.048 0.110 0.000 1.446 229 H CB 0.750 30.629 29.762 0.194 0.000 1.462 229 H HN 0.970 nan 8.280 nan 0.000 0.499 230 A N 4.910 127.497 122.820 -0.387 0.000 2.513 230 A HA 0.319 4.639 4.320 -0.000 0.000 0.296 230 A C -1.461 175.856 177.584 -0.445 0.000 1.052 230 A CA -0.721 51.129 52.037 -0.312 0.000 0.714 230 A CB 0.475 19.435 19.000 -0.068 0.000 1.279 230 A HN 0.722 nan 8.150 nan 0.000 0.397 231 Y N 1.152 121.357 120.300 -0.159 0.000 2.347 231 Y HA 0.161 4.711 4.550 -0.000 0.000 0.274 231 Y C 2.229 178.092 175.900 -0.061 0.000 1.124 231 Y CA 1.404 59.429 58.100 -0.125 0.000 1.208 231 Y CB -0.536 37.830 38.460 -0.158 0.000 1.142 231 Y HN 0.755 nan 8.280 nan 0.000 0.506 232 T N -0.845 113.787 114.554 0.130 0.000 2.855 232 T HA 0.151 4.501 4.350 -0.000 0.000 0.314 232 T C 1.627 176.351 174.700 0.041 0.000 1.077 232 T CA 0.065 62.200 62.100 0.059 0.000 1.095 232 T CB 1.066 69.957 68.868 0.038 0.000 0.987 232 T HN 0.470 nan 8.240 nan 0.000 0.546 233 G N 0.805 109.618 108.800 0.020 0.000 2.422 233 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.218 233 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.218 233 G C 1.550 176.463 174.900 0.022 0.000 1.146 233 G CA 0.842 45.952 45.100 0.017 0.000 0.769 233 G HN 0.891 nan 8.290 nan 0.000 0.547 234 R N 0.593 121.104 120.500 0.019 0.000 2.097 234 R HA -0.059 4.281 4.340 -0.000 0.000 0.236 234 R C 2.849 179.164 176.300 0.026 0.000 1.135 234 R CA 1.829 57.941 56.100 0.020 0.000 0.934 234 R CB -0.536 29.775 30.300 0.018 0.000 0.846 234 R HN 0.259 nan 8.270 nan 0.000 0.431 235 A N 0.641 123.479 122.820 0.031 0.000 1.972 235 A HA -0.123 4.196 4.320 -0.000 0.000 0.219 235 A C 2.164 179.768 177.584 0.033 0.000 1.169 235 A CA 1.505 53.564 52.037 0.036 0.000 0.635 235 A CB -0.467 18.558 19.000 0.041 0.000 0.810 235 A HN 0.435 nan 8.150 nan 0.000 0.446 236 I N -0.616 119.973 120.570 0.031 0.000 2.353 236 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 236 I C 2.927 179.058 176.117 0.024 0.000 1.119 236 I CA 0.759 62.080 61.300 0.034 0.000 1.417 236 I CB -0.351 37.683 38.000 0.057 0.000 1.078 236 I HN 0.335 nan 8.210 nan 0.000 0.421 237 A N 2.270 125.104 122.820 0.023 0.000 1.851 237 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 237 A C 2.434 180.013 177.584 -0.009 0.000 1.195 237 A CA 2.245 54.289 52.037 0.013 0.000 0.622 237 A CB -0.800 18.213 19.000 0.021 0.000 0.831 237 A HN 0.483 nan 8.150 nan 0.000 0.444 238 R N -0.401 120.102 120.500 0.005 0.000 2.081 238 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 238 R C 2.217 178.513 176.300 -0.007 0.000 1.131 238 R CA 1.542 57.644 56.100 0.003 0.000 0.960 238 R CB -0.847 29.465 30.300 0.021 0.000 0.856 238 R HN 0.342 nan 8.270 nan 0.000 0.436 239 A N 1.441 124.265 122.820 0.006 0.000 1.908 239 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 239 A C 2.412 179.976 177.584 -0.034 0.000 1.181 239 A CA 1.846 53.888 52.037 0.008 0.000 0.627 239 A CB -0.482 18.538 19.000 0.033 0.000 0.818 239 A HN 0.207 nan 8.150 nan 0.000 0.445 240 V N -0.602 119.267 119.914 -0.074 0.000 2.488 240 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 240 V C 2.489 178.375 176.094 -0.347 0.000 1.046 240 V CA 1.734 63.929 62.300 -0.176 0.000 1.053 240 V CB -0.746 30.975 31.823 -0.170 0.000 0.679 240 V HN 0.492 nan 8.190 nan 0.000 0.458 241 R N -0.800 119.544 120.500 -0.260 0.000 2.152 241 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 241 R C 2.177 178.409 176.300 -0.112 0.000 1.117 241 R CA 1.662 57.636 56.100 -0.211 0.000 0.981 241 R CB -0.541 29.721 30.300 -0.063 0.000 0.870 241 R HN 0.448 nan 8.270 nan 0.000 0.451 242 C N -1.106 118.147 119.300 -0.078 0.000 2.514 242 C HA 0.175 4.635 4.460 -0.000 0.000 0.271 242 C C 1.531 176.503 174.990 -0.030 0.000 1.399 242 C CA 0.820 59.817 59.018 -0.035 0.000 1.765 242 C CB -0.252 27.478 27.740 -0.016 0.000 1.893 242 C HN 0.816 nan 8.230 nan 0.000 0.531 243 G N 0.206 108.974 108.800 -0.053 0.000 2.148 243 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.157 243 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.157 243 G C 0.124 175.035 174.900 0.018 0.000 1.012 243 G CA 0.159 45.249 45.100 -0.017 0.000 0.677 243 G HN 0.933 nan 8.290 nan 0.000 0.506 244 V N -0.890 119.032 119.914 0.015 0.000 2.655 244 V HA 0.629 4.749 4.120 -0.000 0.000 0.300 244 V C 1.453 177.601 176.094 0.090 0.000 1.044 244 V CA 0.841 63.180 62.300 0.065 0.000 1.095 244 V CB 1.389 33.250 31.823 0.063 0.000 0.952 244 V HN 0.406 nan 8.190 nan 0.000 0.485 245 R N 2.852 123.450 120.500 0.163 0.000 2.090 245 R HA 0.128 4.468 4.340 -0.000 0.000 0.219 245 R C 0.939 177.360 176.300 0.201 0.000 1.100 245 R CA 1.102 57.302 56.100 0.166 0.000 0.991 245 R CB 0.093 30.467 30.300 0.124 0.000 0.893 245 R HN 1.002 nan 8.270 nan 0.000 0.443 246 T N -1.309 113.360 114.554 0.192 0.000 2.863 246 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 246 T C -0.299 174.469 174.700 0.113 0.000 1.009 246 T CA -0.926 61.269 62.100 0.159 0.000 0.989 246 T CB 1.731 70.652 68.868 0.089 0.000 1.004 246 T HN -0.101 nan 8.240 nan 0.000 0.455 247 I N 2.986 123.594 120.570 0.062 0.000 2.354 247 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 247 I C 0.069 176.161 176.117 -0.043 0.000 0.989 247 I CA -0.723 60.590 61.300 0.021 0.000 1.188 247 I CB 1.760 39.767 38.000 0.011 0.000 1.342 247 I HN 0.744 nan 8.210 nan 0.000 0.457 248 E N 6.404 126.570 120.200 -0.056 0.000 2.266 248 E HA 0.336 4.685 4.350 -0.000 0.000 0.277 248 E C 0.487 176.880 176.600 -0.344 0.000 1.018 248 E CA -0.322 55.921 56.400 -0.262 0.000 0.840 248 E CB 1.020 30.596 29.700 -0.206 0.000 1.082 248 E HN 0.538 nan 8.360 nan 0.000 0.395 249 H N 1.734 120.677 119.070 -0.211 0.000 1.457 249 H HA -0.307 4.249 4.556 -0.000 0.000 0.090 249 H C 1.009 176.312 175.328 -0.042 0.000 0.619 249 H CA 1.392 57.362 56.048 -0.130 0.000 1.901 249 H CB -1.413 28.178 29.762 -0.285 0.000 2.256 249 H HN 0.872 nan 8.280 nan 0.000 0.961 250 G N 1.331 110.182 108.800 0.086 0.000 2.132 250 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.228 250 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.228 250 G C 0.583 175.634 174.900 0.251 0.000 1.000 250 G CA 0.952 46.160 45.100 0.180 0.000 0.693 250 G HN 0.582 nan 8.290 nan 0.000 0.515 251 N N -0.215 118.640 118.700 0.258 0.000 2.289 251 N HA 0.042 4.782 4.740 -0.000 0.000 0.184 251 N C 1.655 177.181 175.510 0.027 0.000 1.016 251 N CA 1.072 54.195 53.050 0.121 0.000 0.872 251 N CB -0.079 38.407 38.487 -0.003 0.000 0.973 251 N HN 0.570 nan 8.380 nan 0.000 0.433 252 L N 0.857 122.114 121.223 0.057 0.000 3.094 252 L HA 0.292 4.632 4.340 -0.000 0.000 0.254 252 L C -0.364 176.494 176.870 -0.019 0.000 1.298 252 L CA -0.476 54.358 54.840 -0.010 0.000 1.050 252 L CB 0.048 42.097 42.059 -0.016 0.000 1.420 252 L HN -0.101 nan 8.230 nan 0.000 0.548 253 V N -1.882 118.004 119.914 -0.047 0.000 2.872 253 V HA 0.055 4.175 4.120 -0.000 0.000 0.307 253 V C 0.165 176.192 176.094 -0.113 0.000 1.072 253 V CA -0.709 61.535 62.300 -0.094 0.000 1.148 253 V CB 0.089 31.762 31.823 -0.251 0.000 0.954 253 V HN 0.396 nan 8.190 nan 0.000 0.490 254 D N 2.348 122.700 120.400 -0.080 0.000 2.437 254 D HA 0.299 4.939 4.640 -0.000 0.000 0.259 254 D C 0.972 177.219 176.300 -0.088 0.000 1.118 254 D CA -0.438 53.515 54.000 -0.079 0.000 1.017 254 D CB 0.647 41.419 40.800 -0.045 0.000 1.120 254 D HN 0.643 nan 8.370 nan 0.000 0.541 255 E N 0.197 120.352 120.200 -0.075 0.000 2.274 255 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 255 E C 1.730 178.315 176.600 -0.024 0.000 0.996 255 E CA 0.752 57.115 56.400 -0.063 0.000 0.840 255 E CB -0.490 29.175 29.700 -0.058 0.000 0.772 255 E HN 0.477 nan 8.360 nan 0.000 0.491 256 A N 2.518 125.329 122.820 -0.015 0.000 1.849 256 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 256 A C 2.625 180.223 177.584 0.024 0.000 1.202 256 A CA 2.841 54.882 52.037 0.005 0.000 0.629 256 A CB -1.134 17.868 19.000 0.003 0.000 0.834 256 A HN 0.422 nan 8.150 nan 0.000 0.447 257 A N -0.439 122.392 122.820 0.019 0.000 1.883 257 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 257 A C 2.563 180.190 177.584 0.072 0.000 1.186 257 A CA 2.584 54.647 52.037 0.043 0.000 0.624 257 A CB -1.222 17.798 19.000 0.033 0.000 0.822 257 A HN 1.276 nan 8.150 nan 0.000 0.444 258 A N -0.272 122.575 122.820 0.046 0.000 1.917 258 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 258 A C 2.150 179.804 177.584 0.117 0.000 1.182 258 A CA 2.249 54.338 52.037 0.087 0.000 0.633 258 A CB -0.541 18.444 19.000 -0.025 0.000 0.819 258 A HN 0.591 nan 8.150 nan 0.000 0.448 259 K N -0.908 119.540 120.400 0.080 0.000 2.009 259 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 259 K C 1.932 178.610 176.600 0.130 0.000 1.049 259 K CA 1.680 58.028 56.287 0.101 0.000 0.929 259 K CB -0.343 32.193 32.500 0.060 0.000 0.714 259 K HN 0.320 nan 8.250 nan 0.000 0.440 260 L N 1.266 122.560 121.223 0.119 0.000 2.042 260 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 260 L C 2.360 179.370 176.870 0.235 0.000 1.076 260 L CA 1.636 56.578 54.840 0.170 0.000 0.749 260 L CB -0.306 41.844 42.059 0.151 0.000 0.893 260 L HN 0.327 nan 8.230 nan 0.000 0.432 261 M N -1.788 117.915 119.600 0.172 0.000 2.067 261 M HA -0.278 4.202 4.480 -0.000 0.000 0.260 261 M C 2.369 178.741 176.300 0.120 0.000 1.069 261 M CA 2.113 57.501 55.300 0.146 0.000 1.117 261 M CB -0.392 32.300 32.600 0.153 0.000 1.334 261 M HN 0.476 nan 8.290 nan 0.000 0.407 262 H N -0.156 118.937 119.070 0.038 0.000 2.352 262 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 262 H C 1.776 177.084 175.328 -0.032 0.000 1.097 262 H CA 2.363 58.403 56.048 -0.014 0.000 1.311 262 H CB -0.077 29.683 29.762 -0.004 0.000 1.377 262 H HN 0.449 nan 8.280 nan 0.000 0.504 263 E N -1.014 119.083 120.200 -0.171 0.000 2.058 263 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 263 E C 1.824 178.249 176.600 -0.291 0.000 0.997 263 E CA 1.488 57.720 56.400 -0.280 0.000 0.801 263 E CB -0.059 29.532 29.700 -0.182 0.000 0.746 263 E HN 0.698 nan 8.360 nan 0.000 0.450 264 H N -1.721 117.274 119.070 -0.126 0.000 2.502 264 H HA 0.113 4.669 4.556 -0.000 0.000 0.283 264 H C 1.098 176.346 175.328 -0.133 0.000 1.015 264 H CA 0.933 56.922 56.048 -0.098 0.000 1.298 264 H CB 0.611 30.344 29.762 -0.048 0.000 1.411 264 H HN 0.341 nan 8.280 nan 0.000 0.556 265 G N -0.330 108.411 108.800 -0.099 0.000 2.142 265 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.225 265 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.225 265 G C 0.142 174.879 174.900 -0.272 0.000 1.015 265 G CA 0.071 45.042 45.100 -0.214 0.000 0.716 265 G HN 0.650 nan 8.290 nan 0.000 0.508 266 A N -0.103 122.632 122.820 -0.142 0.000 2.320 266 A HA 0.791 5.111 4.320 -0.000 0.000 0.287 266 A C 0.303 177.796 177.584 -0.152 0.000 1.181 266 A CA -0.406 51.584 52.037 -0.078 0.000 0.831 266 A CB 0.327 19.338 19.000 0.019 0.000 1.102 266 A HN 0.568 nan 8.150 nan 0.000 0.513 267 F N 1.396 121.310 119.950 -0.060 0.000 2.399 267 F HA 0.469 4.996 4.527 -0.000 0.000 0.313 267 F C 0.581 176.300 175.800 -0.135 0.000 1.202 267 F CA -0.281 57.663 58.000 -0.093 0.000 1.192 267 F CB 0.878 39.813 39.000 -0.108 0.000 1.256 267 F HN 0.312 nan 8.300 nan 0.000 0.558 268 V N 0.818 120.725 119.914 -0.012 0.000 2.769 268 V HA 0.541 4.661 4.120 -0.000 0.000 0.312 268 V C -0.730 175.279 176.094 -0.141 0.000 1.061 268 V CA -0.919 61.262 62.300 -0.198 0.000 0.931 268 V CB 1.881 33.309 31.823 -0.658 0.000 1.010 268 V HN 0.464 nan 8.190 nan 0.000 0.433 269 V N 4.383 124.203 119.914 -0.157 0.000 2.327 269 V HA 0.354 4.474 4.120 -0.000 0.000 0.272 269 V C -2.521 173.438 176.094 -0.224 0.000 1.019 269 V CA -1.549 60.654 62.300 -0.162 0.000 0.814 269 V CB 1.392 33.146 31.823 -0.114 0.000 1.040 269 V HN 0.744 nan 8.190 nan 0.000 0.440 270 P HA 0.321 nan 4.420 nan 0.000 0.274 270 P C 0.228 177.441 177.300 -0.145 0.000 1.237 270 P CA -0.005 63.036 63.100 -0.100 0.000 0.793 270 P CB 0.576 32.258 31.700 -0.029 0.000 0.977 271 T N -2.170 112.378 114.554 -0.010 0.000 3.732 271 T HA 0.307 4.657 4.350 -0.000 0.000 0.234 271 T C 0.854 175.603 174.700 0.081 0.000 1.146 271 T CA -0.403 61.656 62.100 -0.069 0.000 1.454 271 T CB -1.178 67.607 68.868 -0.138 0.000 0.910 271 T HN 0.063 nan 8.240 nan 0.000 0.640 272 L N 0.121 121.399 121.223 0.091 0.000 2.093 272 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 272 L C 2.747 179.713 176.870 0.161 0.000 1.085 272 L CA 0.652 55.635 54.840 0.238 0.000 0.755 272 L CB -0.611 41.513 42.059 0.109 0.000 0.904 272 L HN 0.405 nan 8.230 nan 0.000 0.435 273 V N -0.282 119.638 119.914 0.009 0.000 2.380 273 V HA -0.375 3.745 4.120 -0.000 0.000 0.251 273 V C 2.621 178.688 176.094 -0.045 0.000 1.063 273 V CA 2.699 64.996 62.300 -0.006 0.000 1.055 273 V CB -0.236 31.587 31.823 0.001 0.000 0.657 273 V HN 0.556 nan 8.190 nan 0.000 0.455 274 T N -1.365 113.095 114.554 -0.156 0.000 2.881 274 T HA -0.174 4.175 4.350 -0.000 0.000 0.270 274 T C 1.494 176.025 174.700 -0.281 0.000 1.068 274 T CA 2.027 63.975 62.100 -0.252 0.000 1.131 274 T CB -0.292 68.357 68.868 -0.364 0.000 0.871 274 T HN 0.743 nan 8.240 nan 0.000 0.479 275 Y N 1.063 121.375 120.300 0.019 0.000 2.365 275 Y HA 0.113 4.663 4.550 -0.000 0.000 0.293 275 Y C 2.386 178.262 175.900 -0.040 0.000 1.119 275 Y CA 0.446 58.545 58.100 -0.002 0.000 1.203 275 Y CB -0.343 38.112 38.460 -0.008 0.000 1.026 275 Y HN 0.205 nan 8.280 nan 0.000 0.549 276 D N 0.239 120.680 120.400 0.067 0.000 2.117 276 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 276 D C 2.276 178.496 176.300 -0.132 0.000 0.987 276 D CA 1.487 55.463 54.000 -0.040 0.000 0.829 276 D CB -0.505 40.260 40.800 -0.059 0.000 0.961 276 D HN 0.317 nan 8.370 nan 0.000 0.460 277 A N 0.454 123.200 122.820 -0.123 0.000 1.898 277 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 277 A C 2.273 179.845 177.584 -0.021 0.000 1.181 277 A CA 0.841 52.815 52.037 -0.106 0.000 0.620 277 A CB -0.719 18.303 19.000 0.035 0.000 0.819 277 A HN 0.216 nan 8.150 nan 0.000 0.442 278 L N -0.964 120.262 121.223 0.006 0.000 2.395 278 L HA -0.056 4.284 4.340 -0.000 0.000 0.218 278 L C 2.883 179.748 176.870 -0.007 0.000 1.130 278 L CA 0.521 55.383 54.840 0.037 0.000 0.826 278 L CB -0.338 41.755 42.059 0.056 0.000 0.941 278 L HN 0.460 nan 8.230 nan 0.000 0.451 279 A N 0.220 123.011 122.820 -0.048 0.000 1.854 279 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 279 A C 2.274 179.760 177.584 -0.163 0.000 1.192 279 A CA 1.439 53.428 52.037 -0.080 0.000 0.611 279 A CB -0.205 18.751 19.000 -0.073 0.000 0.832 279 A HN 0.143 nan 8.150 nan 0.000 0.442 280 K N -0.394 119.821 120.400 -0.310 0.000 2.001 280 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 280 K C 0.772 177.064 176.600 -0.513 0.000 1.048 280 K CA 1.527 57.493 56.287 -0.535 0.000 0.932 280 K CB -0.098 31.830 32.500 -0.953 0.000 0.715 280 K HN 0.672 nan 8.250 nan 0.000 0.437 281 H N -1.459 117.552 119.070 -0.099 0.000 2.481 281 H HA 0.319 4.875 4.556 -0.000 0.000 0.273 281 H C 1.064 176.324 175.328 -0.113 0.000 1.145 281 H CA 0.159 56.075 56.048 -0.219 0.000 0.964 281 H CB 0.311 29.852 29.762 -0.369 0.000 1.722 281 H HN 0.259 nan 8.280 nan 0.000 0.573 282 G N 1.129 109.933 108.800 0.007 0.000 2.616 282 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 282 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 282 G C 1.669 176.604 174.900 0.059 0.000 1.284 282 G CA 0.891 46.024 45.100 0.055 0.000 0.823 282 G HN 0.437 nan 8.290 nan 0.000 0.569 283 A N 0.079 122.913 122.820 0.022 0.000 2.172 283 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 283 A C 2.070 179.663 177.584 0.015 0.000 1.154 283 A CA 1.840 53.892 52.037 0.024 0.000 0.701 283 A CB -0.325 18.680 19.000 0.010 0.000 0.789 283 A HN 0.559 nan 8.150 nan 0.000 0.465 284 E N -1.138 119.042 120.200 -0.033 0.000 2.112 284 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 284 E C 0.233 176.801 176.600 -0.053 0.000 0.979 284 E CA 0.734 57.068 56.400 -0.110 0.000 0.814 284 E CB -0.067 29.479 29.700 -0.256 0.000 0.762 284 E HN 0.525 nan 8.360 nan 0.000 0.460 285 F N -0.052 119.946 119.950 0.081 0.000 2.660 285 F HA 0.335 4.862 4.527 -0.000 0.000 0.297 285 F C 1.271 177.096 175.800 0.041 0.000 1.132 285 F CA 0.439 58.476 58.000 0.063 0.000 1.372 285 F CB 0.731 39.781 39.000 0.083 0.000 1.003 285 F HN 0.189 nan 8.300 nan 0.000 0.524 286 G N 0.508 109.423 108.800 0.191 0.000 2.141 286 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.242 286 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.242 286 G C 0.434 175.382 174.900 0.081 0.000 0.982 286 G CA -0.011 45.157 45.100 0.113 0.000 0.662 286 G HN 0.328 nan 8.290 nan 0.000 0.527 287 M N 2.229 121.886 119.600 0.095 0.000 2.162 287 M HA 0.404 4.884 4.480 -0.000 0.000 0.356 287 M C -1.699 174.636 176.300 0.058 0.000 1.303 287 M CA -1.800 53.542 55.300 0.070 0.000 1.116 287 M CB 0.644 33.295 32.600 0.086 0.000 1.632 287 M HN -0.025 nan 8.290 nan 0.000 0.469 288 P HA -0.032 nan 4.420 nan 0.000 0.263 288 P C -2.432 174.894 177.300 0.043 0.000 1.162 288 P CA -0.586 62.541 63.100 0.044 0.000 0.758 288 P CB -0.390 31.341 31.700 0.050 0.000 0.773 289 P HA -0.198 nan 4.420 nan 0.000 0.217 289 P C 1.294 178.610 177.300 0.026 0.000 1.148 289 P CA 1.593 64.709 63.100 0.026 0.000 0.828 289 P CB -0.094 31.618 31.700 0.020 0.000 0.783 290 E N -1.170 119.048 120.200 0.031 0.000 2.478 290 E HA 0.045 4.394 4.350 -0.000 0.000 0.194 290 E C 1.320 177.944 176.600 0.039 0.000 1.045 290 E CA 0.639 57.056 56.400 0.029 0.000 0.868 290 E CB -0.563 29.154 29.700 0.028 0.000 0.885 290 E HN 0.100 nan 8.360 nan 0.000 0.505 291 S N 0.525 116.257 115.700 0.053 0.000 2.425 291 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 291 S C 1.958 176.594 174.600 0.060 0.000 1.024 291 S CA 0.816 59.058 58.200 0.071 0.000 0.951 291 S CB 0.151 63.407 63.200 0.094 0.000 0.796 291 S HN 0.274 nan 8.310 nan 0.000 0.498 292 V N 1.576 121.518 119.914 0.046 0.000 2.809 292 V HA 0.044 4.164 4.120 -0.000 0.000 0.256 292 V C 2.406 178.509 176.094 0.016 0.000 1.080 292 V CA 1.150 63.470 62.300 0.034 0.000 1.102 292 V CB -1.368 30.471 31.823 0.026 0.000 0.705 292 V HN 0.444 nan 8.190 nan 0.000 0.475 293 A N 0.314 123.141 122.820 0.012 0.000 1.969 293 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 293 A C 2.302 179.879 177.584 -0.012 0.000 1.169 293 A CA 1.625 53.660 52.037 -0.002 0.000 0.635 293 A CB -0.381 18.618 19.000 -0.000 0.000 0.810 293 A HN 0.512 nan 8.150 nan 0.000 0.445 294 K N -0.778 119.619 120.400 -0.004 0.000 2.432 294 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 294 K C 1.400 177.972 176.600 -0.046 0.000 1.038 294 K CA 0.561 56.831 56.287 -0.028 0.000 0.986 294 K CB 0.083 32.577 32.500 -0.011 0.000 0.782 294 K HN 0.277 nan 8.250 nan 0.000 0.485 295 V N 0.411 120.323 119.914 -0.004 0.000 3.235 295 V HA -0.002 4.118 4.120 -0.000 0.000 0.259 295 V C 1.839 177.920 176.094 -0.022 0.000 1.133 295 V CA 1.063 63.378 62.300 0.025 0.000 1.128 295 V CB 0.125 32.004 31.823 0.094 0.000 0.757 295 V HN 0.277 nan 8.190 nan 0.000 0.469 296 A N 0.472 123.267 122.820 -0.042 0.000 1.933 296 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 296 A C 2.508 180.038 177.584 -0.090 0.000 1.175 296 A CA 2.350 54.354 52.037 -0.055 0.000 0.628 296 A CB -0.640 18.332 19.000 -0.047 0.000 0.814 296 A HN 0.756 nan 8.150 nan 0.000 0.444 297 S N -0.240 115.388 115.700 -0.120 0.000 2.406 297 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 297 S C 1.687 176.158 174.600 -0.215 0.000 1.030 297 S CA 1.156 59.267 58.200 -0.149 0.000 0.958 297 S CB -0.946 62.167 63.200 -0.145 0.000 0.811 297 S HN 0.636 nan 8.310 nan 0.000 0.489 298 V N 1.879 121.607 119.914 -0.311 0.000 2.719 298 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 298 V C 2.624 178.438 176.094 -0.467 0.000 1.065 298 V CA 1.235 63.248 62.300 -0.477 0.000 1.086 298 V CB -1.626 29.729 31.823 -0.779 0.000 0.700 298 V HN 0.676 nan 8.190 nan 0.000 0.467 299 Q N 0.200 119.787 119.800 -0.356 0.000 2.311 299 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 299 Q C 2.053 177.967 176.000 -0.144 0.000 0.954 299 Q CA 0.919 56.581 55.803 -0.236 0.000 0.885 299 Q CB -0.425 28.266 28.738 -0.078 0.000 0.963 299 Q HN 0.583 nan 8.270 nan 0.000 0.471 300 Q N 1.918 121.635 119.800 -0.138 0.000 1.927 300 Q HA -0.158 4.182 4.340 -0.000 0.000 0.210 300 Q C 1.691 177.636 176.000 -0.092 0.000 1.001 300 Q CA 1.680 57.424 55.803 -0.099 0.000 0.862 300 Q CB -0.425 28.255 28.738 -0.096 0.000 0.934 300 Q HN 0.290 nan 8.270 nan 0.000 0.420 301 K N 0.557 120.891 120.400 -0.109 0.000 2.574 301 K HA -0.005 4.315 4.320 -0.000 0.000 0.193 301 K C 1.823 178.373 176.600 -0.083 0.000 1.035 301 K CA 0.626 56.857 56.287 -0.093 0.000 0.982 301 K CB -0.563 31.877 32.500 -0.099 0.000 0.795 301 K HN 0.406 nan 8.250 nan 0.000 0.491 302 G N 0.610 109.351 108.800 -0.098 0.000 2.433 302 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 302 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 302 G C 1.477 176.370 174.900 -0.012 0.000 1.186 302 G CA 0.515 45.572 45.100 -0.072 0.000 0.779 302 G HN 0.244 nan 8.290 nan 0.000 0.543 303 R N 0.021 120.511 120.500 -0.015 0.000 2.073 303 R HA -0.012 4.328 4.340 -0.000 0.000 0.234 303 R C 2.526 178.825 176.300 -0.002 0.000 1.134 303 R CA 1.275 57.376 56.100 0.002 0.000 0.952 303 R CB -0.345 29.953 30.300 -0.003 0.000 0.850 303 R HN 0.494 nan 8.270 nan 0.000 0.433 304 E N 0.456 120.641 120.200 -0.025 0.000 2.097 304 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 304 E C 1.775 178.342 176.600 -0.054 0.000 1.000 304 E CA 1.861 58.238 56.400 -0.039 0.000 0.804 304 E CB 0.069 29.736 29.700 -0.054 0.000 0.740 304 E HN 0.368 nan 8.360 nan 0.000 0.454 305 S N 0.198 115.863 115.700 -0.058 0.000 2.399 305 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 305 S C 1.955 176.532 174.600 -0.038 0.000 1.022 305 S CA 0.606 58.730 58.200 -0.125 0.000 0.983 305 S CB -0.281 62.882 63.200 -0.062 0.000 0.803 305 S HN 0.139 nan 8.310 nan 0.000 0.480 306 L N 2.001 123.284 121.223 0.100 0.000 2.042 306 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 306 L C 2.668 179.605 176.870 0.110 0.000 1.076 306 L CA 1.668 56.611 54.840 0.173 0.000 0.749 306 L CB -1.094 41.026 42.059 0.100 0.000 0.893 306 L HN 0.384 nan 8.230 nan 0.000 0.432 307 E N -0.675 119.542 120.200 0.028 0.000 2.028 307 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 307 E C 2.285 178.871 176.600 -0.024 0.000 0.988 307 E CA 1.256 57.658 56.400 0.003 0.000 0.799 307 E CB -0.142 29.547 29.700 -0.017 0.000 0.755 307 E HN 0.425 nan 8.360 nan 0.000 0.447 308 I N 0.350 120.860 120.570 -0.099 0.000 2.248 308 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 308 I C 2.015 178.051 176.117 -0.136 0.000 1.107 308 I CA 1.252 62.451 61.300 -0.168 0.000 1.373 308 I CB -0.422 37.396 38.000 -0.304 0.000 1.055 308 I HN 0.170 nan 8.210 nan 0.000 0.418 309 Y N 0.950 121.241 120.300 -0.015 0.000 2.220 309 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 309 Y C 2.722 178.607 175.900 -0.026 0.000 1.129 309 Y CA 0.859 58.951 58.100 -0.013 0.000 1.161 309 Y CB -0.950 37.509 38.460 -0.001 0.000 0.997 309 Y HN 0.083 nan 8.280 nan 0.000 0.522 310 A N 0.545 123.448 122.820 0.137 0.000 1.883 310 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 310 A C 2.145 179.731 177.584 0.004 0.000 1.186 310 A CA 2.005 54.076 52.037 0.058 0.000 0.624 310 A CB -0.769 18.258 19.000 0.044 0.000 0.822 310 A HN 0.432 nan 8.150 nan 0.000 0.444 311 N N 0.520 119.214 118.700 -0.010 0.000 2.069 311 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 311 N C 1.724 177.188 175.510 -0.076 0.000 1.031 311 N CA 1.750 54.775 53.050 -0.042 0.000 0.852 311 N CB -0.626 37.835 38.487 -0.043 0.000 1.018 311 N HN 0.475 nan 8.380 nan 0.000 0.423 312 A N -0.109 122.672 122.820 -0.065 0.000 2.206 312 A HA 0.326 4.646 4.320 -0.000 0.000 0.211 312 A C 1.312 178.727 177.584 -0.282 0.000 1.158 312 A CA 0.935 52.908 52.037 -0.107 0.000 0.761 312 A CB -0.496 18.499 19.000 -0.007 0.000 0.801 312 A HN 0.381 nan 8.150 nan 0.000 0.473 313 G N -1.039 107.642 108.800 -0.198 0.000 2.248 313 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.263 313 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.263 313 G C -0.119 174.737 174.900 -0.073 0.000 1.082 313 G CA 0.074 45.028 45.100 -0.244 0.000 0.863 313 G HN 0.845 nan 8.290 nan 0.000 0.495 314 V N 0.258 120.193 119.914 0.036 0.000 2.364 314 V HA 0.363 4.483 4.120 -0.000 0.000 0.272 314 V C 0.920 177.014 176.094 0.000 0.000 1.036 314 V CA -0.915 61.424 62.300 0.065 0.000 0.880 314 V CB 1.351 33.261 31.823 0.145 0.000 0.991 314 V HN 0.405 nan 8.190 nan 0.000 0.460 315 K N 4.911 125.283 120.400 -0.047 0.000 2.511 315 K HA 0.194 4.514 4.320 -0.000 0.000 0.280 315 K C -0.258 176.366 176.600 0.041 0.000 1.008 315 K CA 0.900 57.192 56.287 0.007 0.000 1.050 315 K CB 0.185 32.692 32.500 0.013 0.000 0.889 315 K HN 0.591 nan 8.250 nan 0.000 0.484 316 M N 1.839 121.467 119.600 0.047 0.000 2.311 316 M HA 0.355 4.835 4.480 -0.000 0.000 0.325 316 M C 0.205 176.531 176.300 0.043 0.000 1.061 316 M CA -0.634 54.662 55.300 -0.006 0.000 0.957 316 M CB 2.277 34.859 32.600 -0.030 0.000 1.646 316 M HN 0.727 nan 8.290 nan 0.000 0.434 317 G N 1.568 110.377 108.800 0.014 0.000 2.432 317 G HA2 0.602 4.562 3.960 -0.000 0.000 0.331 317 G HA3 0.602 4.562 3.960 -0.000 0.000 0.331 317 G C -1.477 173.440 174.900 0.029 0.000 1.170 317 G CA -0.512 44.610 45.100 0.037 0.000 0.943 317 G HN 0.600 nan 8.290 nan 0.000 0.483 318 F N 1.019 120.933 119.950 -0.060 0.000 2.529 318 F HA 0.484 5.011 4.527 -0.000 0.000 0.365 318 F C 0.734 176.491 175.800 -0.073 0.000 1.102 318 F CA 0.832 58.774 58.000 -0.097 0.000 1.271 318 F CB 0.939 39.871 39.000 -0.114 0.000 1.120 318 F HN 0.540 nan 8.300 nan 0.000 0.579 319 G N 3.109 111.550 108.800 -0.599 0.000 2.734 319 G HA2 0.399 4.359 3.960 -0.000 0.000 0.293 319 G HA3 0.399 4.359 3.960 -0.000 0.000 0.293 319 G C -0.552 174.083 174.900 -0.442 0.000 1.422 319 G CA -0.112 44.791 45.100 -0.328 0.000 1.177 319 G HN 0.792 nan 8.290 nan 0.000 0.565 320 S N 1.274 116.831 115.700 -0.238 0.000 2.438 320 S HA 0.187 4.657 4.470 -0.000 0.000 0.220 320 S C 0.872 175.406 174.600 -0.109 0.000 1.045 320 S CA 1.124 59.213 58.200 -0.185 0.000 0.940 320 S CB -0.041 63.099 63.200 -0.100 0.000 0.863 320 S HN 1.005 nan 8.310 nan 0.000 0.539 321 D N 0.592 120.988 120.400 -0.006 0.000 2.699 321 D HA -0.116 4.524 4.640 -0.000 0.000 0.239 321 D C -0.951 175.364 176.300 0.026 0.000 1.136 321 D CA 0.293 54.377 54.000 0.141 0.000 0.668 321 D CB -1.959 38.938 40.800 0.162 0.000 1.060 321 D HN 0.518 nan 8.370 nan 0.000 0.429 322 L N 0.150 121.293 121.223 -0.133 0.000 2.334 322 L HA 0.538 4.878 4.340 -0.000 0.000 0.277 322 L C 0.589 177.243 176.870 -0.359 0.000 1.075 322 L CA -0.726 53.970 54.840 -0.241 0.000 0.804 322 L CB 1.108 42.995 42.059 -0.287 0.000 1.174 322 L HN 0.051 nan 8.230 nan 0.000 0.438 323 L N 2.100 123.249 121.223 -0.124 0.000 2.346 323 L HA 0.736 5.076 4.340 -0.000 0.000 0.274 323 L C 0.831 177.750 176.870 0.081 0.000 1.007 323 L CA -0.551 54.294 54.840 0.009 0.000 0.818 323 L CB 1.490 43.575 42.059 0.043 0.000 1.284 323 L HN 0.841 nan 8.230 nan 0.000 0.424 324 G N 1.993 110.897 108.800 0.174 0.000 2.566 324 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 324 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 324 G C 0.765 175.680 174.900 0.025 0.000 1.225 324 G CA 0.428 45.558 45.100 0.049 0.000 0.966 324 G HN 0.836 nan 8.290 nan 0.000 0.560 325 E N 0.312 120.365 120.200 -0.245 0.000 2.268 325 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 325 E C 2.596 179.094 176.600 -0.169 0.000 0.995 325 E CA 1.497 57.710 56.400 -0.312 0.000 0.836 325 E CB -0.300 29.009 29.700 -0.652 0.000 0.763 325 E HN 0.682 nan 8.360 nan 0.000 0.491 326 M N 0.641 120.231 119.600 -0.016 0.000 2.623 326 M HA -0.097 4.383 4.480 -0.000 0.000 0.258 326 M C 1.450 177.844 176.300 0.156 0.000 1.067 326 M CA 0.922 56.385 55.300 0.273 0.000 1.068 326 M CB -0.551 32.290 32.600 0.401 0.000 1.409 326 M HN 0.145 nan 8.290 nan 0.000 0.504 327 H N -0.167 118.900 119.070 -0.005 0.000 2.489 327 H HA -0.083 4.473 4.556 -0.000 0.000 0.295 327 H C 2.053 177.352 175.328 -0.050 0.000 1.082 327 H CA 1.480 57.521 56.048 -0.011 0.000 1.295 327 H CB 0.132 29.868 29.762 -0.042 0.000 1.380 327 H HN 0.455 nan 8.280 nan 0.000 0.548 328 A N -0.022 122.741 122.820 -0.095 0.000 1.969 328 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 328 A C 1.473 178.957 177.584 -0.167 0.000 1.169 328 A CA 0.866 52.769 52.037 -0.225 0.000 0.635 328 A CB -0.691 18.029 19.000 -0.466 0.000 0.810 328 A HN 0.414 nan 8.150 nan 0.000 0.445 329 F N 0.242 120.268 119.950 0.126 0.000 2.795 329 F HA 0.018 4.545 4.527 -0.000 0.000 0.303 329 F C 2.136 178.029 175.800 0.156 0.000 1.186 329 F CA 0.606 58.688 58.000 0.138 0.000 1.415 329 F CB -0.207 38.869 39.000 0.127 0.000 1.106 329 F HN 0.380 nan 8.300 nan 0.000 0.558 330 Q N 0.403 120.369 119.800 0.277 0.000 2.135 330 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 330 Q C 1.883 178.157 176.000 0.457 0.000 0.981 330 Q CA 1.933 57.896 55.803 0.267 0.000 0.856 330 Q CB 0.023 28.859 28.738 0.163 0.000 0.902 330 Q HN 0.350 nan 8.270 nan 0.000 0.425 331 S N -0.429 115.576 115.700 0.508 0.000 2.496 331 S HA 0.027 4.497 4.470 -0.000 0.000 0.224 331 S C 1.710 176.641 174.600 0.553 0.000 0.996 331 S CA 0.494 59.078 58.200 0.640 0.000 0.927 331 S CB 0.075 63.578 63.200 0.505 0.000 0.774 331 S HN 0.618 nan 8.310 nan 0.000 0.524 332 G N 1.875 110.915 108.800 0.399 0.000 2.462 332 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 332 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 332 G C 1.230 176.279 174.900 0.248 0.000 1.121 332 G CA 1.126 46.407 45.100 0.302 0.000 0.758 332 G HN 0.545 nan 8.290 nan 0.000 0.559 333 E N 0.063 120.394 120.200 0.219 0.000 2.153 333 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 333 E C 1.941 178.627 176.600 0.143 0.000 0.988 333 E CA 0.692 57.111 56.400 0.031 0.000 0.811 333 E CB -0.398 29.075 29.700 -0.379 0.000 0.746 333 E HN 0.425 nan 8.360 nan 0.000 0.466 334 F N 0.421 120.614 119.950 0.404 0.000 2.091 334 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 334 F C 2.596 178.474 175.800 0.130 0.000 1.103 334 F CA 1.856 60.014 58.000 0.263 0.000 1.228 334 F CB -0.461 38.605 39.000 0.109 0.000 0.984 334 F HN 0.005 nan 8.300 nan 0.000 0.477 335 R N 0.306 120.996 120.500 0.317 0.000 2.073 335 R HA -0.054 4.285 4.340 -0.000 0.000 0.229 335 R C 2.227 178.607 176.300 0.133 0.000 1.120 335 R CA 1.208 57.420 56.100 0.187 0.000 0.967 335 R CB -0.461 29.932 30.300 0.156 0.000 0.862 335 R HN 0.251 nan 8.270 nan 0.000 0.436 336 I N 0.139 120.780 120.570 0.118 0.000 2.264 336 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 336 I C 2.283 178.440 176.117 0.067 0.000 1.111 336 I CA 1.429 62.773 61.300 0.074 0.000 1.382 336 I CB -0.246 37.785 38.000 0.051 0.000 1.060 336 I HN 0.174 nan 8.210 nan 0.000 0.418 337 R N 0.621 121.170 120.500 0.083 0.000 2.075 337 R HA -0.002 4.338 4.340 -0.000 0.000 0.226 337 R C 2.554 178.910 176.300 0.092 0.000 1.114 337 R CA 1.207 57.354 56.100 0.079 0.000 0.972 337 R CB -0.405 29.944 30.300 0.082 0.000 0.869 337 R HN 0.326 nan 8.270 nan 0.000 0.437 338 A N 1.539 124.430 122.820 0.118 0.000 1.917 338 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 338 A C 1.875 179.499 177.584 0.067 0.000 1.182 338 A CA 1.597 53.691 52.037 0.095 0.000 0.633 338 A CB -0.443 18.618 19.000 0.101 0.000 0.819 338 A HN 0.336 nan 8.150 nan 0.000 0.448 339 E N -0.770 119.469 120.200 0.064 0.000 2.160 339 E HA -0.125 4.224 4.350 -0.000 0.000 0.195 339 E C 1.805 178.428 176.600 0.038 0.000 0.991 339 E CA 1.390 57.819 56.400 0.047 0.000 0.810 339 E CB -0.114 29.613 29.700 0.045 0.000 0.742 339 E HN 0.496 nan 8.360 nan 0.000 0.466 340 V N -0.093 119.846 119.914 0.042 0.000 2.672 340 V HA -0.033 4.087 4.120 -0.000 0.000 0.242 340 V C 1.407 177.523 176.094 0.036 0.000 1.059 340 V CA 0.883 63.204 62.300 0.035 0.000 1.081 340 V CB 0.137 31.981 31.823 0.035 0.000 0.752 340 V HN 0.163 nan 8.190 nan 0.000 0.472 341 L N 0.674 121.924 121.223 0.045 0.000 3.202 341 L HA 0.666 5.006 4.340 -0.000 0.000 0.278 341 L C 0.771 177.668 176.870 0.045 0.000 1.268 341 L CA 0.112 54.978 54.840 0.044 0.000 1.034 341 L CB 0.165 42.255 42.059 0.052 0.000 1.407 341 L HN 0.340 nan 8.230 nan 0.000 0.581 342 G N 1.823 110.649 108.800 0.042 0.000 2.825 342 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.686 342 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.686 342 G C 0.457 175.388 174.900 0.052 0.000 1.362 342 G CA 0.065 45.189 45.100 0.040 0.000 0.975 342 G HN 0.576 nan 8.290 nan 0.000 0.594 343 N N 1.159 119.887 118.700 0.046 0.000 2.515 343 N HA -0.021 4.718 4.740 -0.000 0.000 0.185 343 N C 2.091 177.628 175.510 0.046 0.000 1.109 343 N CA 0.917 54.000 53.050 0.055 0.000 0.903 343 N CB 0.032 38.540 38.487 0.036 0.000 0.969 343 N HN 0.600 nan 8.380 nan 0.000 0.450 344 L N 0.133 121.377 121.223 0.036 0.000 2.046 344 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 344 L C 2.208 179.110 176.870 0.053 0.000 1.077 344 L CA 1.762 56.622 54.840 0.034 0.000 0.747 344 L CB -0.148 41.926 42.059 0.026 0.000 0.896 344 L HN 0.126 nan 8.230 nan 0.000 0.432 345 E N 0.036 120.272 120.200 0.060 0.000 2.072 345 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 345 E C 2.062 178.724 176.600 0.102 0.000 0.985 345 E CA 1.470 57.913 56.400 0.071 0.000 0.801 345 E CB -0.138 29.599 29.700 0.061 0.000 0.750 345 E HN 0.493 nan 8.360 nan 0.000 0.452 346 A N 0.351 123.247 122.820 0.126 0.000 1.917 346 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 346 A C 2.220 179.962 177.584 0.263 0.000 1.182 346 A CA 1.625 53.786 52.037 0.206 0.000 0.633 346 A CB -0.757 18.395 19.000 0.253 0.000 0.819 346 A HN 0.335 nan 8.150 nan 0.000 0.448 347 L N -1.553 119.779 121.223 0.180 0.000 2.240 347 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 347 L C 2.762 179.700 176.870 0.113 0.000 1.106 347 L CA 0.592 55.513 54.840 0.135 0.000 0.793 347 L CB -0.402 41.669 42.059 0.019 0.000 0.927 347 L HN 0.318 nan 8.230 nan 0.000 0.446 348 R N 0.025 120.586 120.500 0.101 0.000 2.092 348 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 348 R C 2.637 178.998 176.300 0.102 0.000 1.119 348 R CA 1.618 57.772 56.100 0.088 0.000 0.970 348 R CB -0.381 29.964 30.300 0.074 0.000 0.864 348 R HN 0.452 nan 8.270 nan 0.000 0.440 349 S N 0.401 116.174 115.700 0.122 0.000 2.399 349 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 349 S C 1.740 176.434 174.600 0.156 0.000 1.022 349 S CA 1.209 59.490 58.200 0.135 0.000 0.983 349 S CB 0.085 63.375 63.200 0.151 0.000 0.803 349 S HN 0.318 nan 8.310 nan 0.000 0.480 350 A N 0.507 123.404 122.820 0.127 0.000 2.460 350 A HA 0.501 4.820 4.320 -0.000 0.000 0.258 350 A C 1.486 179.145 177.584 0.124 0.000 1.300 350 A CA 0.460 52.537 52.037 0.068 0.000 0.913 350 A CB -0.201 18.624 19.000 -0.292 0.000 1.031 350 A HN 0.726 nan 8.150 nan 0.000 0.512 351 T N -4.663 109.961 114.554 0.116 0.000 3.359 351 T HA 0.032 4.382 4.350 -0.000 0.000 0.160 351 T C 1.874 176.622 174.700 0.079 0.000 0.924 351 T CA 1.130 63.298 62.100 0.113 0.000 0.951 351 T CB -0.817 68.118 68.868 0.111 0.000 1.404 351 T HN 0.252 nan 8.240 nan 0.000 0.309 352 T N 1.430 116.026 114.554 0.071 0.000 2.737 352 T HA -0.016 4.334 4.350 -0.000 0.000 0.265 352 T C 2.086 176.819 174.700 0.055 0.000 1.038 352 T CA 1.454 63.589 62.100 0.057 0.000 1.144 352 T CB -1.189 67.712 68.868 0.055 0.000 0.866 352 T HN 0.207 nan 8.240 nan 0.000 0.434 353 V N 2.575 122.532 119.914 0.072 0.000 2.343 353 V HA -0.068 4.052 4.120 -0.000 0.000 0.247 353 V C 3.295 179.397 176.094 0.013 0.000 1.051 353 V CA 1.588 63.942 62.300 0.089 0.000 1.036 353 V CB -1.570 30.322 31.823 0.116 0.000 0.654 353 V HN 0.675 nan 8.190 nan 0.000 0.451 354 A N 0.239 123.068 122.820 0.016 0.000 1.908 354 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 354 A C 2.433 179.960 177.584 -0.095 0.000 1.181 354 A CA 2.216 54.236 52.037 -0.029 0.000 0.627 354 A CB -0.840 18.195 19.000 0.057 0.000 0.818 354 A HN 0.591 nan 8.150 nan 0.000 0.445 355 A N -0.631 122.162 122.820 -0.045 0.000 1.933 355 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 355 A C 2.018 179.528 177.584 -0.124 0.000 1.175 355 A CA 1.766 53.765 52.037 -0.064 0.000 0.628 355 A CB -0.491 18.507 19.000 -0.004 0.000 0.814 355 A HN 0.678 nan 8.150 nan 0.000 0.444 356 E N -0.140 119.994 120.200 -0.111 0.000 2.051 356 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 356 E C 1.894 178.267 176.600 -0.378 0.000 0.991 356 E CA 1.154 57.476 56.400 -0.131 0.000 0.799 356 E CB -0.224 29.491 29.700 0.025 0.000 0.748 356 E HN 0.653 nan 8.360 nan 0.000 0.449 357 I N 0.993 121.193 120.570 -0.616 0.000 2.113 357 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 357 I C 2.222 177.966 176.117 -0.622 0.000 1.064 357 I CA 1.507 62.264 61.300 -0.905 0.000 1.320 357 I CB -0.314 37.267 38.000 -0.698 0.000 1.028 357 I HN 0.179 nan 8.210 nan 0.000 0.406 358 V N -1.378 118.270 119.914 -0.444 0.000 3.490 358 V HA 0.177 4.297 4.120 -0.000 0.000 0.315 358 V C 0.514 176.403 176.094 -0.342 0.000 1.284 358 V CA -0.173 61.843 62.300 -0.473 0.000 1.233 358 V CB -1.325 29.963 31.823 -0.893 0.000 1.101 358 V HN 0.570 nan 8.190 nan 0.000 0.425 359 N N 1.210 119.758 118.700 -0.253 0.000 2.714 359 N HA -0.184 4.556 4.740 -0.000 0.000 0.252 359 N C 0.323 175.793 175.510 -0.067 0.000 1.014 359 N CA 1.270 54.245 53.050 -0.124 0.000 0.735 359 N CB -0.632 37.825 38.487 -0.050 0.000 0.924 359 N HN 0.544 nan 8.380 nan 0.000 0.540 360 M N -0.196 119.357 119.600 -0.079 0.000 2.747 360 M HA 0.031 4.511 4.480 -0.000 0.000 0.402 360 M C 0.326 176.625 176.300 -0.002 0.000 1.238 360 M CA -0.093 55.200 55.300 -0.012 0.000 0.877 360 M CB 0.440 33.050 32.600 0.016 0.000 1.424 360 M HN 0.107 nan 8.290 nan 0.000 0.511 361 Q N 0.703 120.495 119.800 -0.012 0.000 2.263 361 Q HA 0.313 4.653 4.340 -0.000 0.000 0.289 361 Q C 0.927 176.938 176.000 0.019 0.000 1.061 361 Q CA 1.446 57.253 55.803 0.007 0.000 0.927 361 Q CB 0.173 28.918 28.738 0.011 0.000 1.154 361 Q HN 0.636 nan 8.270 nan 0.000 0.378 362 G N 2.785 111.599 108.800 0.024 0.000 2.284 362 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.247 362 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.247 362 G C 0.859 175.777 174.900 0.030 0.000 1.012 362 G CA 0.538 45.654 45.100 0.026 0.000 0.618 362 G HN 0.545 nan 8.290 nan 0.000 0.521 363 Q N -0.279 119.541 119.800 0.034 0.000 2.226 363 Q HA 0.572 4.912 4.340 -0.000 0.000 0.199 363 Q C 1.326 177.355 176.000 0.048 0.000 0.945 363 Q CA 1.052 56.881 55.803 0.043 0.000 0.861 363 Q CB 0.168 28.939 28.738 0.055 0.000 0.953 363 Q HN 0.665 nan 8.270 nan 0.000 0.490 364 L N -3.219 118.035 121.223 0.051 0.000 2.277 364 L HA 0.594 4.934 4.340 -0.000 0.000 0.254 364 L C 0.695 177.595 176.870 0.050 0.000 1.044 364 L CA -0.542 54.332 54.840 0.058 0.000 0.842 364 L CB 1.828 43.940 42.059 0.088 0.000 1.422 364 L HN 0.263 nan 8.230 nan 0.000 0.422 365 G N 0.244 109.079 108.800 0.058 0.000 2.189 365 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.267 365 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.267 365 G C -0.385 174.547 174.900 0.052 0.000 0.975 365 G CA 0.427 45.565 45.100 0.063 0.000 0.644 365 G HN 0.482 nan 8.290 nan 0.000 0.537 366 V N 1.050 120.988 119.914 0.040 0.000 2.777 366 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 366 V C -0.173 175.935 176.094 0.023 0.000 1.112 366 V CA -1.126 61.193 62.300 0.031 0.000 0.917 366 V CB 1.655 33.495 31.823 0.029 0.000 1.018 366 V HN 0.314 nan 8.190 nan 0.000 0.426 367 I N 6.656 127.236 120.570 0.017 0.000 2.329 367 I HA 0.640 4.810 4.170 -0.000 0.000 0.295 367 I C 0.434 176.562 176.117 0.018 0.000 1.109 367 I CA 0.349 61.657 61.300 0.013 0.000 1.297 367 I CB 0.588 38.592 38.000 0.006 0.000 1.433 367 I HN 0.748 nan 8.210 nan 0.000 0.509 368 A N 5.479 128.311 122.820 0.020 0.000 2.594 368 A HA 0.673 4.993 4.320 -0.000 0.000 0.291 368 A C -0.719 176.879 177.584 0.023 0.000 1.105 368 A CA -0.572 51.479 52.037 0.023 0.000 0.694 368 A CB 1.406 20.419 19.000 0.023 0.000 1.291 368 A HN 0.243 nan 8.150 nan 0.000 0.410 369 V N 1.379 121.308 119.914 0.024 0.000 2.529 369 V HA 0.438 4.558 4.120 -0.000 0.000 0.292 369 V C 1.578 177.684 176.094 0.019 0.000 1.028 369 V CA 1.887 64.200 62.300 0.021 0.000 1.074 369 V CB 0.146 31.982 31.823 0.021 0.000 0.958 369 V HN 2.301 nan 8.190 nan 0.000 0.481 370 G N 3.531 112.341 108.800 0.017 0.000 2.258 370 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.233 370 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.233 370 G C 0.523 175.435 174.900 0.019 0.000 1.006 370 G CA 0.212 45.322 45.100 0.017 0.000 0.620 370 G HN 1.470 nan 8.290 nan 0.000 0.511 371 A N 0.331 123.163 122.820 0.020 0.000 2.386 371 A HA 0.656 4.976 4.320 -0.000 0.000 0.246 371 A C 0.664 178.260 177.584 0.020 0.000 1.089 371 A CA 0.226 52.276 52.037 0.022 0.000 0.790 371 A CB 0.163 19.177 19.000 0.023 0.000 1.042 371 A HN 0.863 nan 8.150 nan 0.000 0.497 372 I N 0.832 121.416 120.570 0.024 0.000 2.496 372 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 372 I C 1.095 177.219 176.117 0.011 0.000 1.080 372 I CA 0.027 61.338 61.300 0.019 0.000 1.404 372 I CB 1.310 39.328 38.000 0.029 0.000 1.403 372 I HN 0.663 nan 8.210 nan 0.000 0.539 373 A N 4.939 127.760 122.820 0.001 0.000 3.052 373 A HA 0.126 4.446 4.320 -0.000 0.000 0.266 373 A C -0.397 177.177 177.584 -0.017 0.000 1.855 373 A CA -0.158 51.873 52.037 -0.009 0.000 1.473 373 A CB -1.008 17.984 19.000 -0.013 0.000 1.038 373 A HN 0.626 nan 8.150 nan 0.000 0.619 374 D N 1.410 121.801 120.400 -0.015 0.000 2.485 374 D HA 0.448 5.088 4.640 -0.000 0.000 0.229 374 D C -0.552 175.713 176.300 -0.058 0.000 1.101 374 D CA 0.093 54.074 54.000 -0.031 0.000 0.906 374 D CB 0.807 41.602 40.800 -0.009 0.000 1.019 374 D HN 0.130 nan 8.370 nan 0.000 0.516 375 L N 1.935 123.113 121.223 -0.075 0.000 2.346 375 L HA 0.552 4.892 4.340 -0.000 0.000 0.274 375 L C -0.123 176.662 176.870 -0.142 0.000 1.007 375 L CA -1.098 53.686 54.840 -0.092 0.000 0.818 375 L CB 1.831 43.851 42.059 -0.065 0.000 1.284 375 L HN 0.015 nan 8.230 nan 0.000 0.424 376 V N 3.306 123.108 119.914 -0.187 0.000 2.459 376 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 376 V C -0.060 175.975 176.094 -0.098 0.000 1.029 376 V CA -0.758 61.409 62.300 -0.221 0.000 0.874 376 V CB 2.378 33.909 31.823 -0.487 0.000 0.985 376 V HN 0.447 nan 8.190 nan 0.000 0.438 377 V N 6.281 126.179 119.914 -0.027 0.000 2.370 377 V HA 0.455 4.575 4.120 -0.000 0.000 0.279 377 V C -0.478 175.627 176.094 0.018 0.000 1.029 377 V CA -0.498 61.820 62.300 0.031 0.000 0.870 377 V CB 1.508 33.420 31.823 0.148 0.000 0.984 377 V HN 0.534 nan 8.190 nan 0.000 0.451 378 L N 4.241 125.465 121.223 0.000 0.000 2.356 378 L HA 0.516 4.856 4.340 -0.000 0.000 0.277 378 L C -0.256 176.605 176.870 -0.014 0.000 0.996 378 L CA -0.358 54.474 54.840 -0.014 0.000 0.822 378 L CB 1.630 43.680 42.059 -0.015 0.000 1.256 378 L HN 0.647 nan 8.230 nan 0.000 0.413 379 D N 3.235 123.623 120.400 -0.020 0.000 2.470 379 D HA 0.535 5.175 4.640 -0.000 0.000 0.226 379 D C 0.260 176.546 176.300 -0.022 0.000 1.196 379 D CA 1.040 55.028 54.000 -0.019 0.000 0.979 379 D CB 0.001 40.787 40.800 -0.024 0.000 1.059 379 D HN 0.795 nan 8.370 nan 0.000 0.515 380 G N 2.423 111.209 108.800 -0.024 0.000 2.361 380 G HA2 0.008 3.968 3.960 -0.000 0.000 0.331 380 G HA3 0.008 3.968 3.960 -0.000 0.000 0.331 380 G C -1.299 173.582 174.900 -0.032 0.000 1.324 380 G CA -1.201 43.883 45.100 -0.026 0.000 0.984 380 G HN 0.457 nan 8.290 nan 0.000 0.586 381 N N 0.896 119.577 118.700 -0.032 0.000 2.476 381 N HA 0.634 5.374 4.740 -0.000 0.000 0.257 381 N C -0.816 174.668 175.510 -0.043 0.000 0.970 381 N CA -1.978 51.051 53.050 -0.035 0.000 0.938 381 N CB 2.470 40.941 38.487 -0.028 0.000 1.144 381 N HN 0.178 nan 8.380 nan 0.000 0.500 382 P HA -0.088 nan 4.420 nan 0.000 0.225 382 P C 1.286 178.550 177.300 -0.060 0.000 1.156 382 P CA 0.257 63.306 63.100 -0.086 0.000 0.787 382 P CB 0.448 32.066 31.700 -0.137 0.000 0.802 383 L N 0.114 121.312 121.223 -0.041 0.000 2.131 383 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 383 L C 2.222 179.083 176.870 -0.014 0.000 1.092 383 L CA 1.923 56.749 54.840 -0.023 0.000 0.759 383 L CB -1.385 40.662 42.059 -0.019 0.000 0.903 383 L HN -0.011 nan 8.230 nan 0.000 0.435 384 E N -1.954 118.236 120.200 -0.016 0.000 2.256 384 E HA -0.003 4.347 4.350 -0.000 0.000 0.198 384 E C 0.022 176.617 176.600 -0.008 0.000 0.908 384 E CA 0.061 56.456 56.400 -0.008 0.000 0.915 384 E CB 0.558 30.254 29.700 -0.006 0.000 0.890 384 E HN 0.156 nan 8.360 nan 0.000 0.484 385 D N 0.208 120.598 120.400 -0.016 0.000 2.427 385 D HA 0.091 4.731 4.640 -0.000 0.000 0.226 385 D C 0.333 176.614 176.300 -0.032 0.000 1.076 385 D CA -0.246 53.745 54.000 -0.015 0.000 0.849 385 D CB 1.083 41.876 40.800 -0.013 0.000 1.052 385 D HN -0.055 nan 8.370 nan 0.000 0.515 386 I N 3.427 123.983 120.570 -0.022 0.000 2.493 386 I HA 0.062 4.232 4.170 -0.000 0.000 0.254 386 I C 2.083 178.171 176.117 -0.048 0.000 1.160 386 I CA 1.156 62.432 61.300 -0.040 0.000 1.445 386 I CB -0.297 37.712 38.000 0.015 0.000 1.086 386 I HN 0.588 nan 8.210 nan 0.000 0.433 387 G N -0.055 108.738 108.800 -0.012 0.000 2.501 387 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 387 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 387 G C 1.695 176.582 174.900 -0.021 0.000 1.114 387 G CA 1.091 46.193 45.100 0.003 0.000 0.757 387 G HN 0.495 nan 8.290 nan 0.000 0.559 388 V N -1.455 118.428 119.914 -0.052 0.000 2.970 388 V HA 0.011 4.131 4.120 -0.000 0.000 0.260 388 V C 2.112 178.150 176.094 -0.094 0.000 1.100 388 V CA 1.735 64.000 62.300 -0.058 0.000 1.122 388 V CB -0.050 31.739 31.823 -0.056 0.000 0.721 388 V HN 0.141 nan 8.190 nan 0.000 0.483 389 V N 0.064 119.869 119.914 -0.181 0.000 3.151 389 V HA 0.460 4.580 4.120 -0.000 0.000 0.241 389 V C 2.355 178.340 176.094 -0.182 0.000 1.173 389 V CA 0.848 62.955 62.300 -0.321 0.000 1.154 389 V CB -0.029 31.276 31.823 -0.864 0.000 0.898 389 V HN 0.510 nan 8.190 nan 0.000 0.473 390 A N 0.085 122.864 122.820 -0.068 0.000 2.412 390 A HA 0.277 4.597 4.320 -0.000 0.000 0.253 390 A C 0.247 177.923 177.584 0.154 0.000 1.334 390 A CA 0.291 52.415 52.037 0.145 0.000 0.929 390 A CB -0.558 18.564 19.000 0.203 0.000 0.983 390 A HN 0.498 nan 8.150 nan 0.000 0.508 395 R N 0.137 120.632 120.500 -0.007 0.000 2.613 395 R HA 0.399 4.739 4.340 -0.000 0.000 0.361 395 R C -0.697 175.584 176.300 -0.032 0.000 1.072 395 R CA 0.487 56.574 56.100 -0.022 0.000 1.089 395 R CB 1.278 31.567 30.300 -0.018 0.000 1.343 395 R HN 0.295 nan 8.270 nan 0.000 0.571 396 V N 1.764 121.655 119.914 -0.039 0.000 2.384 396 V HA 0.237 4.357 4.120 -0.000 0.000 0.287 396 V C 0.415 176.448 176.094 -0.102 0.000 1.020 396 V CA -0.295 61.970 62.300 -0.058 0.000 0.850 396 V CB 1.532 33.320 31.823 -0.058 0.000 0.987 396 V HN 0.396 nan 8.190 nan 0.000 0.436 397 E N 5.595 125.709 120.200 -0.144 0.000 2.490 397 E HA 0.119 4.469 4.350 -0.000 0.000 0.209 397 E C -0.933 175.326 176.600 -0.568 0.000 0.971 397 E CA -0.053 56.152 56.400 -0.325 0.000 0.988 397 E CB 0.543 30.021 29.700 -0.370 0.000 1.029 397 E HN 0.652 nan 8.360 nan 0.000 0.496 398 Y N 0.038 120.300 120.300 -0.064 0.000 2.512 398 Y HA 0.504 5.054 4.550 -0.000 0.000 0.348 398 Y C -0.539 175.303 175.900 -0.097 0.000 0.990 398 Y CA -1.091 56.967 58.100 -0.069 0.000 1.033 398 Y CB 2.592 41.014 38.460 -0.063 0.000 1.259 398 Y HN -0.244 nan 8.280 nan 0.000 0.461 399 V N 4.413 124.373 119.914 0.077 0.000 2.524 399 V HA 0.399 4.519 4.120 -0.000 0.000 0.297 399 V C -0.998 175.092 176.094 -0.007 0.000 1.035 399 V CA -0.649 61.639 62.300 -0.020 0.000 0.867 399 V CB 1.623 33.408 31.823 -0.064 0.000 1.004 399 V HN 0.496 nan 8.190 nan 0.000 0.426 400 L N 3.921 125.123 121.223 -0.035 0.000 2.322 400 L HA 0.663 5.003 4.340 -0.000 0.000 0.279 400 L C -0.122 176.723 176.870 -0.041 0.000 1.036 400 L CA 0.264 55.084 54.840 -0.034 0.000 0.807 400 L CB 1.691 43.725 42.059 -0.042 0.000 1.226 400 L HN 0.717 nan 8.230 nan 0.000 0.433 401 Q N 2.790 122.571 119.800 -0.031 0.000 2.274 401 Q HA 0.399 4.738 4.340 -0.000 0.000 0.268 401 Q C -0.731 175.254 176.000 -0.025 0.000 1.015 401 Q CA -0.757 55.029 55.803 -0.029 0.000 0.775 401 Q CB 1.353 30.074 28.738 -0.029 0.000 1.256 401 Q HN 0.428 nan 8.270 nan 0.000 0.442 402 R N 2.566 123.054 120.500 -0.020 0.000 3.109 402 R HA -0.344 3.996 4.340 -0.000 0.000 0.241 402 R C 0.659 176.949 176.300 -0.017 0.000 0.882 402 R CA 0.892 56.983 56.100 -0.016 0.000 0.604 402 R CB -1.769 28.519 30.300 -0.019 0.000 1.040 402 R HN 1.153 nan 8.270 nan 0.000 0.480 403 G N -1.348 107.441 108.800 -0.018 0.000 2.812 403 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.219 403 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.219 403 G C 0.270 175.156 174.900 -0.024 0.000 1.275 403 G CA 0.484 45.572 45.100 -0.019 0.000 0.769 403 G HN 0.766 nan 8.290 nan 0.000 0.527 404 T N 0.709 115.250 114.554 -0.022 0.000 2.882 404 T HA 0.602 4.952 4.350 -0.000 0.000 0.287 404 T C 0.260 174.949 174.700 -0.018 0.000 1.014 404 T CA 0.259 62.347 62.100 -0.020 0.000 1.049 404 T CB 1.535 70.393 68.868 -0.018 0.000 1.001 404 T HN 1.367 nan 8.240 nan 0.000 0.525 405 L N 4.626 125.843 121.223 -0.011 0.000 2.276 405 L HA 0.516 4.856 4.340 -0.000 0.000 0.286 405 L C 0.375 177.254 176.870 0.014 0.000 1.061 405 L CA 0.034 54.879 54.840 0.008 0.000 0.807 405 L CB 1.100 43.172 42.059 0.021 0.000 1.177 405 L HN 0.638 nan 8.230 nan 0.000 0.429 406 V N 2.387 122.310 119.914 0.015 0.000 3.484 406 V HA 0.371 4.491 4.120 -0.000 0.000 0.252 406 V C 0.405 176.502 176.094 0.004 0.000 1.282 406 V CA 0.103 62.404 62.300 0.002 0.000 1.104 406 V CB -0.354 31.462 31.823 -0.012 0.000 0.868 406 V HN 0.629 nan 8.190 nan 0.000 0.457 407 K N 1.533 121.942 120.400 0.014 0.000 2.422 407 K HA 0.604 4.924 4.320 -0.000 0.000 0.251 407 K C -1.067 175.533 176.600 -0.002 0.000 0.933 407 K CA -0.450 55.834 56.287 -0.005 0.000 0.798 407 K CB 3.104 35.588 32.500 -0.028 0.000 1.238 407 K HN 0.108 nan 8.250 nan 0.000 0.428 408 R N 2.871 123.339 120.500 -0.053 0.000 2.473 408 R HA 0.244 4.584 4.340 -0.000 0.000 0.303 408 R C -0.859 175.327 176.300 -0.189 0.000 1.002 408 R CA -0.129 55.878 56.100 -0.156 0.000 0.884 408 R CB 1.062 31.334 30.300 -0.046 0.000 1.173 408 R HN 0.699 nan 8.270 nan 0.000 0.464 409 Q N 0.000 119.630 119.800 -0.283 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.691 55.803 -0.187 0.000 1.022 409 Q CB 0.000 28.655 28.738 -0.138 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481