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 3mec_1_B DATA FIRST_RESID 6 DATA SEQUENCE ETVPVKLKPG MDGPKVKQWP LTEEKIKALV EICTEMEKEG KISKIGPENP DATA SEQUENCE YNTPVFAIKK XXSTKWRKLV DFRELNKRTQ DFWEVQLGIP HPAGLKKKKS DATA SEQUENCE VTVLDVGDAY FSVPLDEDFR KYTAFTIPSI NNETPGIRYQ YNVLPQGWKG DATA SEQUENCE SPAIFQSSMT KILEPFRKQN PDIVIYQYMD DLYVGSDLEI GQHRTKIEEL DATA SEQUENCE RQHLLRWGLT XXXXXXXXXX XXXXXXYELH PDKWTVQPIV LPEKDSWTVN DATA SEQUENCE DIQKLVGKLN WASQIYPGIK VRQLCKLLRG TKALTEVIPL TEEAELELAE DATA SEQUENCE NREILKEPVH GVYYDPSKDL IAEIQKQGQG QWTYQIYQEP FKNLKTGKYA DATA SEQUENCE RXXXXXTNDV KQLTEAVQKI TTESIVIWGK TPKFKLPIQK ETWETWWTEY DATA SEQUENCE WQATWIPEWE FVNTPPLVKL WYQL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.650 176.600 0.084 0.000 1.382 6 E CA 0.000 56.444 56.400 0.073 0.000 0.976 6 E CB 0.000 29.737 29.700 0.061 0.000 0.812 7 T N -0.180 114.425 114.554 0.085 0.000 2.849 7 T HA 0.644 4.993 4.350 -0.001 0.000 0.284 7 T C 0.084 174.841 174.700 0.095 0.000 1.004 7 T CA -0.672 61.486 62.100 0.097 0.000 1.021 7 T CB 1.031 69.957 68.868 0.096 0.000 1.013 7 T HN 0.205 nan 8.240 nan 0.000 0.527 8 V N 3.799 123.779 119.914 0.111 0.000 2.407 8 V HA 0.350 4.469 4.120 -0.001 0.000 0.278 8 V C -2.091 174.073 176.094 0.118 0.000 1.037 8 V CA -1.946 60.429 62.300 0.124 0.000 0.900 8 V CB 0.833 32.757 31.823 0.168 0.000 0.983 8 V HN 0.841 nan 8.190 nan 0.000 0.459 9 P HA 0.147 nan 4.420 nan 0.000 0.264 9 P C -0.890 176.471 177.300 0.102 0.000 1.193 9 P CA 0.173 63.336 63.100 0.105 0.000 0.763 9 P CB 0.458 32.222 31.700 0.107 0.000 0.810 10 V N 4.189 124.088 119.914 -0.025 0.000 2.487 10 V HA 0.403 4.522 4.120 -0.001 0.000 0.298 10 V C 0.149 176.215 176.094 -0.047 0.000 1.028 10 V CA -0.622 61.482 62.300 -0.327 0.000 0.860 10 V CB 1.792 33.051 31.823 -0.941 0.000 0.991 10 V HN 0.414 nan 8.190 nan 0.000 0.427 11 K N 4.148 124.557 120.400 0.016 0.000 2.207 11 K HA 0.684 5.003 4.320 -0.001 0.000 0.255 11 K C -0.744 175.941 176.600 0.142 0.000 0.941 11 K CA -0.704 55.665 56.287 0.137 0.000 0.825 11 K CB 1.746 34.331 32.500 0.140 0.000 1.119 11 K HN 0.580 nan 8.250 nan 0.000 0.430 12 L N 2.585 123.884 121.223 0.126 0.000 2.479 12 L HA 0.224 4.563 4.340 -0.001 0.000 0.248 12 L C 0.536 177.437 176.870 0.052 0.000 1.205 12 L CA -0.385 54.486 54.840 0.051 0.000 0.817 12 L CB 0.432 42.407 42.059 -0.140 0.000 1.162 12 L HN 0.541 nan 8.230 nan 0.000 0.486 13 K N 1.990 122.410 120.400 0.034 0.000 2.368 13 K HA 0.207 4.526 4.320 -0.001 0.000 0.282 13 K C -2.235 174.375 176.600 0.017 0.000 1.035 13 K CA -1.566 54.736 56.287 0.025 0.000 0.973 13 K CB 0.237 32.748 32.500 0.018 0.000 0.957 13 K HN 0.284 nan 8.250 nan 0.000 0.474 14 P HA -0.090 nan 4.420 nan 0.000 0.266 14 P C 0.708 178.020 177.300 0.021 0.000 1.195 14 P CA 0.581 63.695 63.100 0.024 0.000 0.768 14 P CB 0.586 32.300 31.700 0.023 0.000 0.838 15 G N 1.662 110.478 108.800 0.026 0.000 2.205 15 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.261 15 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.261 15 G C 0.081 174.998 174.900 0.028 0.000 0.980 15 G CA 0.161 45.278 45.100 0.027 0.000 0.632 15 G HN 0.504 nan 8.290 nan 0.000 0.533 16 M N 0.968 120.578 119.600 0.017 0.000 2.300 16 M HA 0.499 4.978 4.480 -0.001 0.000 0.348 16 M C -0.202 176.093 176.300 -0.009 0.000 1.151 16 M CA -0.723 54.582 55.300 0.009 0.000 1.046 16 M CB 1.476 34.075 32.600 -0.003 0.000 1.647 16 M HN 0.133 nan 8.290 nan 0.000 0.451 17 D N 1.323 121.738 120.400 0.025 0.000 2.388 17 D HA 0.478 5.117 4.640 -0.001 0.000 0.254 17 D C 0.235 176.501 176.300 -0.057 0.000 1.111 17 D CA -0.010 54.025 54.000 0.058 0.000 0.993 17 D CB 1.371 42.290 40.800 0.197 0.000 1.118 17 D HN 0.675 nan 8.370 nan 0.000 0.502 18 G N 0.177 108.875 108.800 -0.171 0.000 2.647 18 G HA2 0.267 4.226 3.960 -0.001 0.000 0.271 18 G HA3 0.267 4.226 3.960 -0.001 0.000 0.271 18 G C -2.336 172.572 174.900 0.013 0.000 1.300 18 G CA -0.668 44.186 45.100 -0.409 0.000 0.997 18 G HN 0.384 nan 8.290 nan 0.000 0.533 19 P HA 0.304 nan 4.420 nan 0.000 0.275 19 P C -0.742 176.724 177.300 0.277 0.000 1.227 19 P CA -0.079 63.122 63.100 0.168 0.000 0.781 19 P CB 0.828 32.627 31.700 0.165 0.000 0.906 20 K N 1.705 122.233 120.400 0.213 0.000 2.920 20 K HA 0.348 4.667 4.320 -0.001 0.000 0.175 20 K C -1.247 175.436 176.600 0.139 0.000 1.099 20 K CA -0.359 56.036 56.287 0.179 0.000 0.939 20 K CB 0.880 33.466 32.500 0.142 0.000 1.148 20 K HN 0.169 nan 8.250 nan 0.000 0.613 21 V N 1.650 121.657 119.914 0.155 0.000 2.513 21 V HA 0.298 4.417 4.120 -0.001 0.000 0.299 21 V C 0.080 176.263 176.094 0.148 0.000 1.035 21 V CA -0.980 61.415 62.300 0.159 0.000 0.889 21 V CB 1.698 33.642 31.823 0.203 0.000 0.988 21 V HN 0.394 nan 8.190 nan 0.000 0.440 22 K N 2.751 123.225 120.400 0.122 0.000 2.326 22 K HA 0.241 4.560 4.320 -0.001 0.000 0.275 22 K C 0.029 176.723 176.600 0.157 0.000 1.018 22 K CA -0.418 55.922 56.287 0.089 0.000 0.962 22 K CB 0.741 33.256 32.500 0.024 0.000 0.953 22 K HN 0.701 nan 8.250 nan 0.000 0.475 23 Q N 3.853 123.729 119.800 0.127 0.000 2.297 23 Q HA 0.067 4.406 4.340 -0.001 0.000 0.267 23 Q C -1.404 174.725 176.000 0.214 0.000 1.006 23 Q CA 0.025 55.923 55.803 0.160 0.000 0.896 23 Q CB 0.392 29.165 28.738 0.057 0.000 1.186 23 Q HN 0.349 nan 8.270 nan 0.000 0.392 24 W N 5.847 127.097 121.300 -0.083 0.000 2.158 24 W HA 0.253 4.912 4.660 -0.002 0.000 0.339 24 W C -1.808 174.672 176.519 -0.065 0.000 1.294 24 W CA -1.889 55.448 57.345 -0.013 0.000 1.231 24 W CB -0.533 28.996 29.460 0.115 0.000 1.143 24 W HN 0.586 nan 8.180 nan 0.000 0.571 25 P HA 0.213 nan 4.420 nan 0.000 0.271 25 P C -0.699 176.621 177.300 0.034 0.000 1.218 25 P CA 0.177 63.308 63.100 0.052 0.000 0.780 25 P CB 0.947 32.653 31.700 0.010 0.000 0.901 26 L N 1.364 122.569 121.223 -0.030 0.000 2.354 26 L HA 0.463 4.802 4.340 -0.001 0.000 0.264 26 L C 1.102 177.913 176.870 -0.100 0.000 1.008 26 L CA -0.894 53.901 54.840 -0.075 0.000 0.819 26 L CB 2.190 44.184 42.059 -0.108 0.000 1.339 26 L HN 0.365 nan 8.230 nan 0.000 0.420 27 T N -3.404 111.073 114.554 -0.128 0.000 2.788 27 T HA 0.074 4.423 4.350 -0.001 0.000 0.287 27 T C 0.892 175.516 174.700 -0.127 0.000 1.007 27 T CA -0.400 61.630 62.100 -0.118 0.000 1.005 27 T CB 1.414 70.213 68.868 -0.116 0.000 1.012 27 T HN 0.791 nan 8.240 nan 0.000 0.530 28 E N 0.716 120.858 120.200 -0.097 0.000 2.097 28 E HA -0.273 4.077 4.350 -0.001 0.000 0.196 28 E C 1.996 178.513 176.600 -0.137 0.000 1.000 28 E CA 1.925 58.269 56.400 -0.095 0.000 0.804 28 E CB -0.109 29.555 29.700 -0.060 0.000 0.740 28 E HN 0.917 nan 8.360 nan 0.000 0.454 29 E N 0.269 120.381 120.200 -0.146 0.000 2.107 29 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 29 E C 1.966 178.274 176.600 -0.485 0.000 0.982 29 E CA 0.774 57.053 56.400 -0.201 0.000 0.809 29 E CB -0.123 29.545 29.700 -0.054 0.000 0.756 29 E HN 0.116 nan 8.360 nan 0.000 0.459 30 K N 0.751 120.839 120.400 -0.520 0.000 2.103 30 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 30 K C 2.239 178.571 176.600 -0.446 0.000 1.052 30 K CA 0.911 56.783 56.287 -0.691 0.000 0.945 30 K CB -0.105 32.108 32.500 -0.478 0.000 0.722 30 K HN 0.261 nan 8.250 nan 0.000 0.443 31 I N 1.509 121.909 120.570 -0.284 0.000 2.252 31 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 31 I C 2.683 178.696 176.117 -0.173 0.000 1.102 31 I CA 1.177 62.366 61.300 -0.186 0.000 1.385 31 I CB -0.212 37.711 38.000 -0.127 0.000 1.064 31 I HN 0.168 nan 8.210 nan 0.000 0.414 32 K N 1.423 121.708 120.400 -0.192 0.000 2.063 32 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 32 K C 2.163 178.658 176.600 -0.175 0.000 1.048 32 K CA 1.649 57.846 56.287 -0.149 0.000 0.928 32 K CB -0.122 32.302 32.500 -0.127 0.000 0.713 32 K HN 0.292 nan 8.250 nan 0.000 0.442 33 A N 1.020 123.643 122.820 -0.329 0.000 1.969 33 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 33 A C 2.059 179.538 177.584 -0.174 0.000 1.169 33 A CA 1.104 52.948 52.037 -0.322 0.000 0.635 33 A CB -0.421 18.096 19.000 -0.805 0.000 0.810 33 A HN 0.326 nan 8.150 nan 0.000 0.445 34 L N -0.855 120.259 121.223 -0.183 0.000 2.131 34 L HA -0.091 4.249 4.340 -0.001 0.000 0.206 34 L C 2.463 179.315 176.870 -0.031 0.000 1.087 34 L CA 0.599 55.383 54.840 -0.093 0.000 0.767 34 L CB -0.447 41.557 42.059 -0.092 0.000 0.917 34 L HN 0.226 nan 8.230 nan 0.000 0.441 35 V N 0.083 119.978 119.914 -0.032 0.000 2.295 35 V HA -0.304 3.816 4.120 -0.001 0.000 0.246 35 V C 2.429 178.523 176.094 -0.001 0.000 1.049 35 V CA 1.948 64.253 62.300 0.009 0.000 1.024 35 V CB -0.342 31.478 31.823 -0.006 0.000 0.648 35 V HN 0.441 nan 8.190 nan 0.000 0.447 36 E N 0.034 120.224 120.200 -0.018 0.000 2.033 36 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 36 E C 2.144 178.740 176.600 -0.007 0.000 1.011 36 E CA 2.121 58.518 56.400 -0.006 0.000 0.815 36 E CB -0.240 29.461 29.700 0.002 0.000 0.755 36 E HN 0.560 nan 8.360 nan 0.000 0.451 37 I N 0.237 120.802 120.570 -0.008 0.000 2.163 37 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 37 I C 2.487 178.571 176.117 -0.055 0.000 1.085 37 I CA 0.926 62.221 61.300 -0.008 0.000 1.347 37 I CB -0.263 37.741 38.000 0.007 0.000 1.044 37 I HN 0.375 nan 8.210 nan 0.000 0.408 38 C N 0.082 119.330 119.300 -0.086 0.000 2.450 38 C HA -0.110 4.349 4.460 -0.001 0.000 0.279 38 C C 2.974 177.841 174.990 -0.206 0.000 1.335 38 C CA 1.163 60.045 59.018 -0.226 0.000 1.749 38 C CB -1.065 26.507 27.740 -0.280 0.000 1.963 38 C HN 0.511 nan 8.230 nan 0.000 0.501 39 T N 0.548 115.064 114.554 -0.064 0.000 2.759 39 T HA -0.205 4.144 4.350 -0.001 0.000 0.269 39 T C 1.712 176.387 174.700 -0.043 0.000 1.042 39 T CA 1.935 64.023 62.100 -0.020 0.000 1.140 39 T CB -0.211 68.662 68.868 0.008 0.000 0.864 39 T HN 0.614 nan 8.240 nan 0.000 0.455 40 E N 0.780 120.951 120.200 -0.047 0.000 2.072 40 E HA 0.044 4.393 4.350 -0.001 0.000 0.190 40 E C 2.122 178.679 176.600 -0.071 0.000 0.982 40 E CA 0.954 57.331 56.400 -0.038 0.000 0.803 40 E CB -0.216 29.476 29.700 -0.012 0.000 0.755 40 E HN 0.458 nan 8.360 nan 0.000 0.453 41 M N 0.129 119.655 119.600 -0.123 0.000 2.213 41 M HA -0.120 4.359 4.480 -0.001 0.000 0.263 41 M C 2.282 178.464 176.300 -0.197 0.000 1.062 41 M CA 1.467 56.653 55.300 -0.189 0.000 1.105 41 M CB -0.204 32.232 32.600 -0.274 0.000 1.385 41 M HN 0.178 nan 8.290 nan 0.000 0.417 42 E N 1.191 121.279 120.200 -0.188 0.000 2.028 42 E HA -0.190 4.160 4.350 -0.001 0.000 0.191 42 E C 1.793 178.355 176.600 -0.063 0.000 0.988 42 E CA 1.228 57.554 56.400 -0.124 0.000 0.799 42 E CB 0.109 29.776 29.700 -0.056 0.000 0.755 42 E HN 0.395 nan 8.360 nan 0.000 0.447 43 K N 0.170 120.543 120.400 -0.044 0.000 2.218 43 K HA -0.176 4.143 4.320 -0.001 0.000 0.205 43 K C 1.718 178.302 176.600 -0.026 0.000 1.046 43 K CA 1.553 57.825 56.287 -0.024 0.000 0.933 43 K CB -0.027 32.464 32.500 -0.015 0.000 0.728 43 K HN 0.275 nan 8.250 nan 0.000 0.454 44 E N -0.944 119.230 120.200 -0.042 0.000 2.479 44 E HA 0.047 4.396 4.350 -0.001 0.000 0.193 44 E C 0.873 177.449 176.600 -0.041 0.000 1.049 44 E CA 0.305 56.686 56.400 -0.033 0.000 0.870 44 E CB 0.646 30.326 29.700 -0.033 0.000 0.944 44 E HN 0.455 nan 8.360 nan 0.000 0.492 45 G N 2.007 110.772 108.800 -0.057 0.000 2.176 45 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.253 45 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.253 45 G C 1.087 175.942 174.900 -0.076 0.000 0.979 45 G CA 0.538 45.609 45.100 -0.048 0.000 0.641 45 G HN 0.104 nan 8.290 nan 0.000 0.530 46 K N 0.073 120.385 120.400 -0.146 0.000 2.097 46 K HA 0.068 4.387 4.320 -0.001 0.000 0.206 46 K C 1.615 178.081 176.600 -0.224 0.000 1.049 46 K CA 1.744 57.903 56.287 -0.213 0.000 0.933 46 K CB -0.141 32.098 32.500 -0.435 0.000 0.717 46 K HN 0.959 nan 8.250 nan 0.000 0.442 47 I N -2.422 117.987 120.570 -0.269 0.000 2.865 47 I HA 0.366 4.535 4.170 -0.001 0.000 0.302 47 I C -0.945 175.100 176.117 -0.119 0.000 1.140 47 I CA -0.997 60.130 61.300 -0.288 0.000 1.021 47 I CB 2.658 40.349 38.000 -0.515 0.000 1.233 47 I HN -0.161 nan 8.210 nan 0.000 0.427 48 S N 2.388 118.075 115.700 -0.021 0.000 2.570 48 S HA 0.549 5.019 4.470 -0.001 0.000 0.286 48 S C -0.728 173.928 174.600 0.093 0.000 1.099 48 S CA -1.178 57.057 58.200 0.057 0.000 0.913 48 S CB 1.729 64.930 63.200 0.002 0.000 1.085 48 S HN 0.575 nan 8.310 nan 0.000 0.480 49 K N 1.767 122.184 120.400 0.030 0.000 2.485 49 K HA 0.230 4.549 4.320 -0.001 0.000 0.277 49 K C 0.197 176.699 176.600 -0.163 0.000 0.990 49 K CA 0.235 56.401 56.287 -0.202 0.000 0.994 49 K CB -0.084 32.290 32.500 -0.210 0.000 0.906 49 K HN 0.811 nan 8.250 nan 0.000 0.488 50 I N -2.327 118.113 120.570 -0.217 0.000 3.002 50 I HA 0.640 4.809 4.170 -0.001 0.000 0.310 50 I C 0.339 176.363 176.117 -0.154 0.000 1.087 50 I CA -1.143 60.066 61.300 -0.153 0.000 1.017 50 I CB 2.213 40.133 38.000 -0.133 0.000 1.226 50 I HN 0.450 nan 8.210 nan 0.000 0.443 51 G N 1.305 110.034 108.800 -0.118 0.000 2.613 51 G HA2 0.587 4.546 3.960 -0.001 0.000 0.303 51 G HA3 0.587 4.546 3.960 -0.001 0.000 0.303 51 G C -2.023 172.814 174.900 -0.106 0.000 1.312 51 G CA -1.312 43.722 45.100 -0.109 0.000 1.036 51 G HN 0.579 nan 8.290 nan 0.000 0.513 52 P HA -0.009 nan 4.420 nan 0.000 0.236 52 P C 1.155 178.394 177.300 -0.102 0.000 1.177 52 P CA 0.659 63.700 63.100 -0.097 0.000 0.773 52 P CB 0.325 31.975 31.700 -0.084 0.000 0.878 53 E N -0.248 119.895 120.200 -0.096 0.000 2.478 53 E HA -0.094 4.256 4.350 -0.001 0.000 0.198 53 E C 0.158 176.683 176.600 -0.125 0.000 1.046 53 E CA 0.316 56.657 56.400 -0.099 0.000 0.870 53 E CB -0.745 28.909 29.700 -0.077 0.000 0.818 53 E HN 0.091 nan 8.360 nan 0.000 0.527 54 N N 2.262 120.886 118.700 -0.127 0.000 2.462 54 N HA 0.117 4.856 4.740 -0.001 0.000 0.242 54 N C -1.803 173.579 175.510 -0.215 0.000 1.010 54 N CA -2.116 50.846 53.050 -0.146 0.000 0.939 54 N CB 1.585 40.029 38.487 -0.072 0.000 1.127 54 N HN -0.097 nan 8.380 nan 0.000 0.509 55 P HA 0.051 nan 4.420 nan 0.000 0.245 55 P C -0.315 176.767 177.300 -0.363 0.000 1.203 55 P CA 0.365 63.214 63.100 -0.419 0.000 0.792 55 P CB 0.216 31.605 31.700 -0.519 0.000 0.997 56 Y N 1.017 121.318 120.300 0.003 0.000 2.314 56 Y HA 0.455 5.004 4.550 -0.001 0.000 0.334 56 Y C 1.048 176.977 175.900 0.048 0.000 1.266 56 Y CA -0.133 57.993 58.100 0.043 0.000 1.391 56 Y CB 0.149 38.650 38.460 0.068 0.000 1.306 56 Y HN -0.101 nan 8.280 nan 0.000 0.558 57 N N -1.099 117.754 118.700 0.254 0.000 2.504 57 N HA 0.457 5.197 4.740 -0.001 0.000 0.268 57 N C -1.879 173.750 175.510 0.198 0.000 1.184 57 N CA -0.473 52.691 53.050 0.190 0.000 0.875 57 N CB 1.771 40.331 38.487 0.122 0.000 1.630 57 N HN 0.552 nan 8.380 nan 0.000 0.486 58 T N 2.467 117.134 114.554 0.187 0.000 2.886 58 T HA 0.576 4.925 4.350 -0.001 0.000 0.292 58 T C -2.804 171.924 174.700 0.046 0.000 1.012 58 T CA -0.983 61.192 62.100 0.125 0.000 0.982 58 T CB 2.028 70.949 68.868 0.088 0.000 1.018 58 T HN 0.302 nan 8.240 nan 0.000 0.451 59 P HA 0.331 nan 4.420 nan 0.000 0.271 59 P C -0.857 176.188 177.300 -0.424 0.000 1.218 59 P CA -0.467 62.526 63.100 -0.179 0.000 0.780 59 P CB 0.512 32.126 31.700 -0.143 0.000 0.901 60 V N -0.355 119.210 119.914 -0.582 0.000 2.864 60 V HA 0.735 4.854 4.120 -0.001 0.000 0.314 60 V C -0.767 174.762 176.094 -0.942 0.000 1.073 60 V CA -0.800 61.126 62.300 -0.623 0.000 0.956 60 V CB 1.628 33.199 31.823 -0.419 0.000 1.023 60 V HN 0.287 nan 8.190 nan 0.000 0.435 61 F N 0.158 119.954 119.950 -0.257 0.000 2.650 61 F HA 0.915 5.441 4.527 -0.002 0.000 0.320 61 F C 0.304 175.980 175.800 -0.208 0.000 1.091 61 F CA -0.598 57.234 58.000 -0.280 0.000 0.962 61 F CB 2.077 40.837 39.000 -0.399 0.000 1.363 61 F HN 0.853 nan 8.300 nan 0.000 0.482 62 A N 1.760 124.576 122.820 -0.007 0.000 2.330 62 A HA 0.895 5.214 4.320 -0.001 0.000 0.327 62 A C -0.840 176.850 177.584 0.176 0.000 1.155 62 A CA -0.605 51.442 52.037 0.017 0.000 0.803 62 A CB 0.744 19.601 19.000 -0.239 0.000 1.208 62 A HN 0.770 nan 8.150 nan 0.000 0.477 63 I N -1.392 119.345 120.570 0.280 0.000 3.002 63 I HA 0.641 4.810 4.170 -0.001 0.000 0.310 63 I C -0.551 175.683 176.117 0.195 0.000 1.087 63 I CA -1.061 60.384 61.300 0.242 0.000 1.017 63 I CB 2.211 40.283 38.000 0.120 0.000 1.226 63 I HN 0.251 nan 8.210 nan 0.000 0.443 64 K N 4.096 124.464 120.400 -0.054 0.000 2.403 64 K HA 0.329 4.648 4.320 -0.001 0.000 0.235 64 K C -0.500 175.986 176.600 -0.191 0.000 1.142 64 K CA -0.344 55.768 56.287 -0.293 0.000 1.114 64 K CB 0.261 32.453 32.500 -0.513 0.000 1.777 64 K HN 0.673 nan 8.250 nan 0.000 0.424 69 T N 0.688 115.144 114.554 -0.163 0.000 3.151 69 T HA 0.654 5.004 4.350 -0.001 0.000 0.332 69 T C -0.577 173.990 174.700 -0.223 0.000 1.245 69 T CA -0.560 61.403 62.100 -0.228 0.000 1.019 69 T CB -0.563 68.196 68.868 -0.181 0.000 1.109 69 T HN 0.502 nan 8.240 nan 0.000 0.621 70 K N 2.253 122.489 120.400 -0.274 0.000 2.587 70 K HA 0.217 4.536 4.320 -0.001 0.000 0.256 70 K C -1.258 175.235 176.600 -0.179 0.000 0.974 70 K CA -0.613 55.564 56.287 -0.183 0.000 0.855 70 K CB 1.606 34.058 32.500 -0.081 0.000 1.292 70 K HN 0.507 nan 8.250 nan 0.000 0.444 71 W N 3.024 124.307 121.300 -0.028 0.000 2.210 71 W HA 0.203 4.862 4.660 -0.002 0.000 0.330 71 W C 0.770 177.274 176.519 -0.025 0.000 1.334 71 W CA -0.055 57.272 57.345 -0.031 0.000 1.227 71 W CB 0.591 30.034 29.460 -0.028 0.000 1.178 71 W HN 0.269 nan 8.180 nan 0.000 0.560 72 R N 3.379 124.047 120.500 0.280 0.000 2.686 72 R HA 0.319 4.658 4.340 -0.001 0.000 0.286 72 R C -0.854 175.527 176.300 0.136 0.000 0.969 72 R CA -1.003 55.188 56.100 0.152 0.000 0.898 72 R CB 1.458 31.804 30.300 0.076 0.000 1.183 72 R HN 0.483 nan 8.270 nan 0.000 0.456 73 K N 3.573 124.025 120.400 0.086 0.000 2.249 73 K HA 0.243 4.562 4.320 -0.001 0.000 0.280 73 K C -1.327 175.294 176.600 0.034 0.000 1.033 73 K CA -0.516 55.789 56.287 0.030 0.000 0.946 73 K CB 0.807 33.300 32.500 -0.012 0.000 1.005 73 K HN 0.311 nan 8.250 nan 0.000 0.469 74 L N 5.479 126.710 121.223 0.014 0.000 2.372 74 L HA 0.341 4.680 4.340 -0.001 0.000 0.274 74 L C -1.523 175.325 176.870 -0.036 0.000 0.988 74 L CA -0.601 54.266 54.840 0.045 0.000 0.833 74 L CB 1.841 43.976 42.059 0.128 0.000 1.236 74 L HN 0.387 nan 8.230 nan 0.000 0.410 75 V N 3.827 123.662 119.914 -0.132 0.000 2.383 75 V HA 0.300 4.419 4.120 -0.001 0.000 0.275 75 V C -0.200 175.707 176.094 -0.311 0.000 1.036 75 V CA -0.662 61.409 62.300 -0.382 0.000 0.889 75 V CB 1.380 32.770 31.823 -0.721 0.000 0.985 75 V HN 0.698 nan 8.190 nan 0.000 0.459 76 D N 4.092 124.366 120.400 -0.211 0.000 2.470 76 D HA 0.157 4.796 4.640 -0.001 0.000 0.226 76 D C 0.225 176.488 176.300 -0.063 0.000 1.196 76 D CA -0.250 53.733 54.000 -0.029 0.000 0.979 76 D CB 0.177 41.068 40.800 0.153 0.000 1.059 76 D HN 0.373 nan 8.370 nan 0.000 0.515 77 F N 2.079 122.089 119.950 0.100 0.000 2.676 77 F HA 0.241 4.767 4.527 -0.001 0.000 0.300 77 F C 2.063 177.927 175.800 0.107 0.000 1.160 77 F CA -0.222 57.845 58.000 0.112 0.000 1.401 77 F CB -0.050 39.037 39.000 0.145 0.000 1.037 77 F HN 0.257 nan 8.300 nan 0.000 0.522 78 R N -0.001 120.630 120.500 0.218 0.000 2.091 78 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 78 R C 2.074 178.475 176.300 0.169 0.000 1.136 78 R CA 1.415 57.597 56.100 0.137 0.000 0.959 78 R CB -0.120 30.193 30.300 0.022 0.000 0.856 78 R HN 0.176 nan 8.270 nan 0.000 0.437 79 E N 0.762 121.073 120.200 0.186 0.000 2.047 79 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 79 E C 2.019 178.738 176.600 0.198 0.000 0.987 79 E CA 0.713 57.218 56.400 0.175 0.000 0.799 79 E CB -0.295 29.506 29.700 0.167 0.000 0.752 79 E HN 0.276 nan 8.360 nan 0.000 0.449 80 L N 1.135 122.508 121.223 0.250 0.000 2.012 80 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 80 L C 1.849 178.915 176.870 0.327 0.000 1.073 80 L CA 1.577 56.556 54.840 0.232 0.000 0.748 80 L CB -0.425 41.779 42.059 0.242 0.000 0.891 80 L HN 0.204 nan 8.230 nan 0.000 0.431 81 N N -0.502 118.405 118.700 0.346 0.000 2.149 81 N HA -0.257 4.482 4.740 -0.001 0.000 0.188 81 N C 1.772 177.579 175.510 0.494 0.000 1.019 81 N CA 1.197 54.445 53.050 0.330 0.000 0.857 81 N CB -0.005 38.521 38.487 0.065 0.000 0.997 81 N HN 0.278 nan 8.380 nan 0.000 0.426 82 K N 0.866 121.465 120.400 0.332 0.000 2.148 82 K HA 0.005 4.324 4.320 -0.001 0.000 0.204 82 K C 1.572 178.305 176.600 0.223 0.000 1.050 82 K CA 0.862 57.316 56.287 0.279 0.000 0.942 82 K CB 0.184 32.793 32.500 0.180 0.000 0.724 82 K HN 0.079 nan 8.250 nan 0.000 0.446 83 R N -0.635 119.986 120.500 0.201 0.000 2.300 83 R HA 0.009 4.348 4.340 -0.001 0.000 0.199 83 R C 1.380 177.769 176.300 0.150 0.000 0.920 83 R CA 1.086 57.257 56.100 0.119 0.000 1.046 83 R CB 0.477 30.799 30.300 0.038 0.000 0.984 83 R HN 0.215 nan 8.270 nan 0.000 0.493 84 T N -3.297 111.442 114.554 0.308 0.000 3.054 84 T HA 0.000 4.349 4.350 -0.001 0.000 0.255 84 T C 1.577 176.431 174.700 0.257 0.000 1.035 84 T CA -0.309 62.011 62.100 0.367 0.000 0.941 84 T CB 0.423 69.668 68.868 0.629 0.000 1.026 84 T HN 0.073 nan 8.240 nan 0.000 0.533 85 Q N 1.644 121.533 119.800 0.148 0.000 2.197 85 Q HA -0.287 4.052 4.340 -0.001 0.000 0.211 85 Q C 1.809 177.383 176.000 -0.711 0.000 0.993 85 Q CA 2.377 57.904 55.803 -0.459 0.000 0.883 85 Q CB -0.513 28.098 28.738 -0.211 0.000 0.916 85 Q HN 0.648 nan 8.270 nan 0.000 0.418 86 D N -1.167 119.069 120.400 -0.275 0.000 2.149 86 D HA -0.190 4.449 4.640 -0.001 0.000 0.198 86 D C 1.416 177.603 176.300 -0.190 0.000 0.990 86 D CA 1.304 55.178 54.000 -0.210 0.000 0.839 86 D CB -0.165 40.594 40.800 -0.068 0.000 0.948 86 D HN 0.419 nan 8.370 nan 0.000 0.460 87 F N 0.430 120.238 119.950 -0.236 0.000 2.098 87 F HA -0.055 4.471 4.527 -0.001 0.000 0.294 87 F C 1.809 177.514 175.800 -0.159 0.000 1.107 87 F CA 1.488 59.402 58.000 -0.143 0.000 1.234 87 F CB -0.370 38.606 39.000 -0.041 0.000 1.002 87 F HN 0.196 nan 8.300 nan 0.000 0.472 88 W N 0.443 121.726 121.300 -0.027 0.000 3.047 88 W HA 0.124 4.783 4.660 -0.001 0.000 0.250 88 W C 1.453 177.871 176.519 -0.168 0.000 1.314 88 W CA 0.793 58.021 57.345 -0.195 0.000 1.540 88 W CB -0.983 28.353 29.460 -0.206 0.000 1.127 88 W HN 0.290 nan 8.180 nan 0.000 0.679 89 E N 1.662 121.543 120.200 -0.530 0.000 2.330 89 E HA -0.030 4.320 4.350 -0.001 0.000 0.200 89 E C 1.145 177.592 176.600 -0.256 0.000 0.922 89 E CA 0.992 57.125 56.400 -0.446 0.000 0.935 89 E CB 0.447 29.647 29.700 -0.833 0.000 0.917 89 E HN 0.058 nan 8.360 nan 0.000 0.491 90 V N -0.971 118.781 119.914 -0.270 0.000 3.157 90 V HA 0.295 4.414 4.120 -0.001 0.000 0.361 90 V C 0.747 176.739 176.094 -0.171 0.000 1.421 90 V CA -0.568 61.620 62.300 -0.185 0.000 1.213 90 V CB 0.699 32.423 31.823 -0.166 0.000 1.164 90 V HN 0.026 nan 8.190 nan 0.000 0.559 91 Q N 0.242 119.908 119.800 -0.225 0.000 2.490 91 Q HA 0.384 4.723 4.340 -0.001 0.000 0.190 91 Q C 0.728 176.612 176.000 -0.192 0.000 0.969 91 Q CA 0.613 56.289 55.803 -0.212 0.000 0.844 91 Q CB 0.446 29.001 28.738 -0.305 0.000 1.050 91 Q HN 0.524 nan 8.270 nan 0.000 0.601 92 L N -0.783 120.285 121.223 -0.258 0.000 2.985 92 L HA 0.565 4.904 4.340 -0.001 0.000 0.201 92 L C 0.323 177.078 176.870 -0.192 0.000 1.291 92 L CA 0.618 55.343 54.840 -0.192 0.000 1.141 92 L CB 0.572 42.517 42.059 -0.189 0.000 2.131 92 L HN 0.636 nan 8.230 nan 0.000 0.538 93 G N -0.260 108.466 108.800 -0.124 0.000 2.321 93 G HA2 0.125 4.084 3.960 -0.001 0.000 0.339 93 G HA3 0.125 4.084 3.960 -0.001 0.000 0.339 93 G C -1.652 173.258 174.900 0.016 0.000 1.518 93 G CA -0.861 44.210 45.100 -0.050 0.000 0.994 93 G HN 0.312 nan 8.290 nan 0.000 0.668 94 I N 1.951 122.573 120.570 0.088 0.000 2.354 94 I HA 0.320 4.489 4.170 -0.001 0.000 0.286 94 I C -1.937 174.320 176.117 0.233 0.000 1.007 94 I CA -1.871 59.510 61.300 0.136 0.000 1.167 94 I CB 1.910 39.984 38.000 0.123 0.000 1.320 94 I HN 0.204 nan 8.210 nan 0.000 0.458 95 P HA 0.037 nan 4.420 nan 0.000 0.268 95 P C -0.789 176.675 177.300 0.274 0.000 1.204 95 P CA 0.055 63.268 63.100 0.189 0.000 0.768 95 P CB 0.259 32.024 31.700 0.108 0.000 0.842 96 H N 4.009 123.129 119.070 0.083 0.000 2.604 96 H HA 0.336 4.891 4.556 -0.001 0.000 0.306 96 H C -1.990 173.222 175.328 -0.192 0.000 1.075 96 H CA -1.944 53.986 56.048 -0.195 0.000 1.357 96 H CB 0.378 30.001 29.762 -0.232 0.000 1.426 96 H HN 0.267 nan 8.280 nan 0.000 0.470 97 P HA 0.141 nan 4.420 nan 0.000 0.282 97 P C 0.089 177.006 177.300 -0.640 0.000 1.262 97 P CA -0.328 62.474 63.100 -0.496 0.000 0.773 97 P CB 1.573 33.079 31.700 -0.325 0.000 0.879 98 A N 3.750 126.387 122.820 -0.305 0.000 2.067 98 A HA 0.000 4.320 4.320 -0.001 0.000 0.219 98 A C 2.166 179.636 177.584 -0.190 0.000 1.158 98 A CA 1.613 53.533 52.037 -0.195 0.000 0.661 98 A CB -1.225 17.734 19.000 -0.069 0.000 0.801 98 A HN 0.623 nan 8.150 nan 0.000 0.452 99 G N -0.251 108.439 108.800 -0.184 0.000 2.443 99 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.219 99 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.219 99 G C 1.383 176.187 174.900 -0.160 0.000 1.131 99 G CA 0.996 46.012 45.100 -0.140 0.000 0.775 99 G HN 0.438 nan 8.290 nan 0.000 0.547 100 L N 1.785 122.875 121.223 -0.222 0.000 2.013 100 L HA -0.112 4.227 4.340 -0.001 0.000 0.212 100 L C 2.880 179.631 176.870 -0.198 0.000 1.073 100 L CA 2.620 57.343 54.840 -0.195 0.000 0.753 100 L CB -0.477 41.425 42.059 -0.262 0.000 0.890 100 L HN 0.470 nan 8.230 nan 0.000 0.432 101 K N -1.100 119.169 120.400 -0.218 0.000 2.442 101 K HA -0.142 4.177 4.320 -0.001 0.000 0.198 101 K C 1.579 178.027 176.600 -0.253 0.000 1.042 101 K CA 1.248 57.386 56.287 -0.248 0.000 0.958 101 K CB -0.271 32.103 32.500 -0.209 0.000 0.766 101 K HN 0.340 nan 8.250 nan 0.000 0.474 102 K N 0.683 120.970 120.400 -0.188 0.000 2.393 102 K HA 0.103 4.422 4.320 -0.001 0.000 0.193 102 K C 0.011 176.522 176.600 -0.147 0.000 1.026 102 K CA -0.016 56.179 56.287 -0.153 0.000 1.064 102 K CB 0.356 32.793 32.500 -0.106 0.000 0.833 102 K HN -0.004 nan 8.250 nan 0.000 0.521 103 K N 1.354 121.658 120.400 -0.159 0.000 2.219 103 K HA 0.085 4.404 4.320 -0.001 0.000 0.258 103 K C 0.988 177.497 176.600 -0.152 0.000 1.008 103 K CA 0.051 56.263 56.287 -0.124 0.000 0.928 103 K CB 0.658 33.103 32.500 -0.091 0.000 0.983 103 K HN -0.154 nan 8.250 nan 0.000 0.484 104 K N 0.592 120.929 120.400 -0.104 0.000 2.097 104 K HA -0.004 4.315 4.320 -0.001 0.000 0.205 104 K C 0.257 176.815 176.600 -0.071 0.000 1.050 104 K CA 0.951 57.190 56.287 -0.080 0.000 0.938 104 K CB 0.151 32.621 32.500 -0.049 0.000 0.718 104 K HN 0.377 nan 8.250 nan 0.000 0.442 105 S N 0.435 116.011 115.700 -0.206 0.000 2.571 105 S HA 0.395 4.864 4.470 -0.001 0.000 0.284 105 S C -0.808 173.588 174.600 -0.340 0.000 1.128 105 S CA -0.840 57.099 58.200 -0.435 0.000 0.970 105 S CB 2.719 65.434 63.200 -0.809 0.000 1.039 105 S HN -0.138 nan 8.310 nan 0.000 0.485 106 V N 2.817 122.546 119.914 -0.308 0.000 2.487 106 V HA 0.547 4.666 4.120 -0.001 0.000 0.298 106 V C -0.083 175.955 176.094 -0.092 0.000 1.028 106 V CA -0.524 61.721 62.300 -0.092 0.000 0.860 106 V CB 1.885 33.679 31.823 -0.047 0.000 0.991 106 V HN 0.895 nan 8.190 nan 0.000 0.427 107 T N 4.123 118.704 114.554 0.044 0.000 2.859 107 T HA 0.576 4.925 4.350 -0.001 0.000 0.281 107 T C -0.295 174.331 174.700 -0.124 0.000 1.005 107 T CA -0.384 61.695 62.100 -0.036 0.000 1.025 107 T CB 1.748 70.662 68.868 0.077 0.000 0.977 107 T HN 0.361 nan 8.240 nan 0.000 0.458 108 V N 4.810 124.579 119.914 -0.241 0.000 2.347 108 V HA 0.458 4.577 4.120 -0.001 0.000 0.280 108 V C -0.353 175.646 176.094 -0.158 0.000 1.021 108 V CA -0.701 61.409 62.300 -0.315 0.000 0.847 108 V CB 0.861 32.493 31.823 -0.318 0.000 0.990 108 V HN 0.683 nan 8.190 nan 0.000 0.444 109 L N 4.142 125.252 121.223 -0.189 0.000 2.333 109 L HA 0.527 4.866 4.340 -0.001 0.000 0.280 109 L C -0.036 176.754 176.870 -0.134 0.000 1.004 109 L CA -0.460 54.305 54.840 -0.124 0.000 0.820 109 L CB 1.933 43.920 42.059 -0.120 0.000 1.247 109 L HN 0.575 nan 8.230 nan 0.000 0.416 110 D N 2.948 123.281 120.400 -0.112 0.000 2.343 110 D HA 0.153 4.792 4.640 -0.001 0.000 0.255 110 D C 0.368 176.565 176.300 -0.172 0.000 1.187 110 D CA -0.108 53.813 54.000 -0.132 0.000 0.875 110 D CB 1.893 42.619 40.800 -0.123 0.000 1.136 110 D HN 0.373 nan 8.370 nan 0.000 0.469 111 V N 1.782 121.563 119.914 -0.222 0.000 3.070 111 V HA 0.367 4.487 4.120 -0.001 0.000 0.345 111 V C 1.659 177.436 176.094 -0.528 0.000 1.403 111 V CA 0.229 62.348 62.300 -0.302 0.000 1.155 111 V CB 0.422 32.095 31.823 -0.250 0.000 1.140 111 V HN 0.515 nan 8.190 nan 0.000 0.505 112 G N 0.863 109.367 108.800 -0.492 0.000 2.475 112 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 112 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 112 G C 0.930 175.329 174.900 -0.835 0.000 1.125 112 G CA 1.368 46.065 45.100 -0.672 0.000 0.755 112 G HN 0.531 nan 8.290 nan 0.000 0.565 113 D N 0.606 120.617 120.400 -0.648 0.000 2.228 113 D HA -0.016 4.623 4.640 -0.001 0.000 0.203 113 D C 2.693 178.695 176.300 -0.497 0.000 0.988 113 D CA 1.049 54.678 54.000 -0.618 0.000 0.864 113 D CB -0.226 40.372 40.800 -0.336 0.000 0.928 113 D HN 0.326 nan 8.370 nan 0.000 0.469 114 A N -0.445 122.010 122.820 -0.610 0.000 1.978 114 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 114 A C 1.785 179.072 177.584 -0.494 0.000 1.170 114 A CA 1.059 52.740 52.037 -0.594 0.000 0.636 114 A CB -0.971 17.460 19.000 -0.950 0.000 0.810 114 A HN 0.453 nan 8.150 nan 0.000 0.448 115 Y N -2.515 117.569 120.300 -0.361 0.000 2.457 115 Y HA -0.080 4.469 4.550 -0.002 0.000 0.292 115 Y C 1.840 177.883 175.900 0.239 0.000 1.125 115 Y CA -0.148 57.891 58.100 -0.102 0.000 1.254 115 Y CB -0.170 38.273 38.460 -0.027 0.000 1.012 115 Y HN 0.270 nan 8.280 nan 0.000 0.555 116 F N 0.370 120.390 119.950 0.118 0.000 2.494 116 F HA -0.168 4.358 4.527 -0.002 0.000 0.298 116 F C 2.267 178.150 175.800 0.137 0.000 1.106 116 F CA 0.810 58.893 58.000 0.139 0.000 1.452 116 F CB -0.928 38.127 39.000 0.091 0.000 1.085 116 F HN 0.039 nan 8.300 nan 0.000 0.569 117 S N -1.780 114.115 115.700 0.325 0.000 2.540 117 S HA 0.281 4.750 4.470 -0.001 0.000 0.218 117 S C 0.155 174.914 174.600 0.265 0.000 0.977 117 S CA -0.220 58.135 58.200 0.259 0.000 0.918 117 S CB -0.326 63.022 63.200 0.246 0.000 0.806 117 S HN -0.128 nan 8.310 nan 0.000 0.496 118 V N 3.206 123.297 119.914 0.294 0.000 2.448 118 V HA 0.499 4.619 4.120 -0.001 0.000 0.295 118 V C -2.725 173.507 176.094 0.230 0.000 1.025 118 V CA -2.301 60.166 62.300 0.279 0.000 0.859 118 V CB 1.596 33.633 31.823 0.357 0.000 0.988 118 V HN 0.113 nan 8.190 nan 0.000 0.431 119 P HA 0.168 nan 4.420 nan 0.000 0.268 119 P C -0.695 176.698 177.300 0.157 0.000 1.205 119 P CA -0.220 62.971 63.100 0.152 0.000 0.771 119 P CB 0.599 32.372 31.700 0.123 0.000 0.858 120 L N 2.931 124.243 121.223 0.148 0.000 2.334 120 L HA 0.365 4.704 4.340 -0.001 0.000 0.277 120 L C 0.064 177.003 176.870 0.115 0.000 1.075 120 L CA -0.638 54.283 54.840 0.136 0.000 0.804 120 L CB 0.510 42.650 42.059 0.134 0.000 1.174 120 L HN 0.244 nan 8.230 nan 0.000 0.438 121 D N 2.502 122.965 120.400 0.104 0.000 2.581 121 D HA -0.136 4.504 4.640 -0.001 0.000 0.238 121 D C 1.061 177.429 176.300 0.114 0.000 1.145 121 D CA 0.619 54.681 54.000 0.104 0.000 0.866 121 D CB 0.876 41.731 40.800 0.093 0.000 1.151 121 D HN 0.715 nan 8.370 nan 0.000 0.500 122 E N 2.767 123.017 120.200 0.083 0.000 2.130 122 E HA -0.233 4.116 4.350 -0.001 0.000 0.196 122 E C 0.761 177.385 176.600 0.039 0.000 0.998 122 E CA 1.740 58.175 56.400 0.057 0.000 0.806 122 E CB 0.062 29.787 29.700 0.043 0.000 0.738 122 E HN 0.516 nan 8.360 nan 0.000 0.459 123 D N -1.157 119.279 120.400 0.060 0.000 2.347 123 D HA -0.052 4.587 4.640 -0.001 0.000 0.213 123 D C 0.880 177.192 176.300 0.020 0.000 0.985 123 D CA 0.356 54.374 54.000 0.030 0.000 0.879 123 D CB -0.093 40.746 40.800 0.065 0.000 0.919 123 D HN 0.267 nan 8.370 nan 0.000 0.526 124 F N 1.108 121.020 119.950 -0.064 0.000 2.714 124 F HA 0.154 4.680 4.527 -0.001 0.000 0.294 124 F C 1.952 177.665 175.800 -0.145 0.000 1.120 124 F CA 0.026 57.996 58.000 -0.049 0.000 1.398 124 F CB 0.316 39.281 39.000 -0.058 0.000 1.120 124 F HN -0.254 nan 8.300 nan 0.000 0.589 125 R N 1.095 121.576 120.500 -0.032 0.000 2.117 125 R HA -0.211 4.128 4.340 -0.001 0.000 0.243 125 R C 2.174 178.385 176.300 -0.148 0.000 1.143 125 R CA 1.943 58.021 56.100 -0.036 0.000 0.968 125 R CB -0.681 29.627 30.300 0.014 0.000 0.863 125 R HN 0.391 nan 8.270 nan 0.000 0.444 126 K N -0.091 120.132 120.400 -0.294 0.000 2.209 126 K HA -0.148 4.171 4.320 -0.001 0.000 0.204 126 K C 1.150 177.594 176.600 -0.260 0.000 1.048 126 K CA 1.415 57.553 56.287 -0.247 0.000 0.940 126 K CB -0.264 32.077 32.500 -0.266 0.000 0.729 126 K HN 0.190 nan 8.250 nan 0.000 0.451 127 Y N 2.558 122.590 120.300 -0.448 0.000 2.616 127 Y HA -0.041 4.508 4.550 -0.002 0.000 0.296 127 Y C 1.964 177.691 175.900 -0.290 0.000 1.154 127 Y CA 1.079 58.800 58.100 -0.632 0.000 1.325 127 Y CB -0.243 37.552 38.460 -1.109 0.000 1.007 127 Y HN 0.322 nan 8.280 nan 0.000 0.542 128 T N -2.907 111.657 114.554 0.015 0.000 3.186 128 T HA 0.554 4.903 4.350 -0.001 0.000 0.257 128 T C 0.754 175.719 174.700 0.441 0.000 1.029 128 T CA -0.102 62.170 62.100 0.287 0.000 0.916 128 T CB -0.507 68.525 68.868 0.273 0.000 1.041 128 T HN 0.167 nan 8.240 nan 0.000 0.562 129 A N 1.871 124.851 122.820 0.266 0.000 2.540 129 A HA 0.550 4.869 4.320 -0.001 0.000 0.239 129 A C -0.052 177.705 177.584 0.289 0.000 1.061 129 A CA -0.374 51.777 52.037 0.191 0.000 0.758 129 A CB -0.503 18.568 19.000 0.118 0.000 0.991 129 A HN 0.796 nan 8.150 nan 0.000 0.502 130 F N -0.704 119.312 119.950 0.109 0.000 2.664 130 F HA 0.838 5.364 4.527 -0.002 0.000 0.317 130 F C -0.367 175.457 175.800 0.040 0.000 1.108 130 F CA -0.872 57.160 58.000 0.054 0.000 0.957 130 F CB 1.424 40.438 39.000 0.022 0.000 1.365 130 F HN 0.329 nan 8.300 nan 0.000 0.475 131 T N 2.507 117.183 114.554 0.203 0.000 2.879 131 T HA 0.545 4.894 4.350 -0.001 0.000 0.290 131 T C -0.557 174.215 174.700 0.120 0.000 0.993 131 T CA -0.404 61.728 62.100 0.053 0.000 0.975 131 T CB 1.346 70.220 68.868 0.010 0.000 0.981 131 T HN 0.578 nan 8.240 nan 0.000 0.439 132 I N 5.973 126.598 120.570 0.091 0.000 2.312 132 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 132 I C -1.870 174.244 176.117 -0.006 0.000 1.031 132 I CA -2.200 59.138 61.300 0.062 0.000 1.293 132 I CB 1.059 39.115 38.000 0.093 0.000 1.403 132 I HN 0.307 nan 8.210 nan 0.000 0.484 133 P HA 0.173 nan 4.420 nan 0.000 0.276 133 P C -0.761 176.515 177.300 -0.041 0.000 1.261 133 P CA -0.392 62.689 63.100 -0.033 0.000 0.800 133 P CB 1.252 32.934 31.700 -0.029 0.000 1.066 134 S N -0.190 115.485 115.700 -0.041 0.000 2.566 134 S HA 0.544 5.013 4.470 -0.001 0.000 0.298 134 S C 0.162 174.737 174.600 -0.040 0.000 1.083 134 S CA -0.964 57.210 58.200 -0.043 0.000 0.978 134 S CB 0.428 63.603 63.200 -0.042 0.000 1.073 134 S HN 0.272 nan 8.310 nan 0.000 0.491 135 I N 2.720 123.264 120.570 -0.042 0.000 2.683 135 I HA 0.080 4.249 4.170 -0.001 0.000 0.286 135 I C 1.173 177.270 176.117 -0.033 0.000 1.175 135 I CA 0.353 61.630 61.300 -0.039 0.000 1.429 135 I CB -0.319 37.658 38.000 -0.039 0.000 1.371 135 I HN 0.968 nan 8.210 nan 0.000 0.569 136 N N 4.373 123.055 118.700 -0.030 0.000 2.753 136 N HA -0.296 4.443 4.740 -0.001 0.000 0.251 136 N C 0.100 175.594 175.510 -0.026 0.000 1.097 136 N CA 1.319 54.353 53.050 -0.026 0.000 0.786 136 N CB -1.379 37.094 38.487 -0.024 0.000 1.137 136 N HN 0.888 nan 8.380 nan 0.000 0.566 137 N N -1.136 117.546 118.700 -0.029 0.000 2.735 137 N HA -0.239 4.501 4.740 -0.001 0.000 0.248 137 N C 0.211 175.703 175.510 -0.030 0.000 1.083 137 N CA 1.108 54.140 53.050 -0.029 0.000 0.703 137 N CB -0.776 37.695 38.487 -0.027 0.000 1.005 137 N HN 0.650 nan 8.380 nan 0.000 0.550 138 E N -0.786 119.396 120.200 -0.030 0.000 2.230 138 E HA -0.018 4.332 4.350 -0.001 0.000 0.192 138 E C 0.849 177.429 176.600 -0.033 0.000 0.987 138 E CA 1.307 57.689 56.400 -0.029 0.000 0.841 138 E CB 0.301 29.985 29.700 -0.028 0.000 0.783 138 E HN 0.592 nan 8.360 nan 0.000 0.481 139 T N -1.211 113.321 114.554 -0.037 0.000 2.901 139 T HA 0.486 4.835 4.350 -0.001 0.000 0.293 139 T C -2.855 171.816 174.700 -0.049 0.000 1.084 139 T CA -2.281 59.794 62.100 -0.043 0.000 1.008 139 T CB 1.713 70.554 68.868 -0.045 0.000 1.170 139 T HN -0.305 nan 8.240 nan 0.000 0.509 140 P HA 0.371 nan 4.420 nan 0.000 0.271 140 P C 0.613 177.868 177.300 -0.075 0.000 1.216 140 P CA -0.075 62.986 63.100 -0.065 0.000 0.776 140 P CB 0.061 31.717 31.700 -0.073 0.000 0.881 141 G N 2.315 111.071 108.800 -0.073 0.000 2.562 141 G HA2 0.157 4.116 3.960 -0.001 0.000 0.233 141 G HA3 0.157 4.116 3.960 -0.001 0.000 0.233 141 G C -0.116 174.709 174.900 -0.125 0.000 1.266 141 G CA -0.516 44.536 45.100 -0.080 0.000 0.852 141 G HN 0.457 nan 8.290 nan 0.000 0.581 142 I N 1.372 121.860 120.570 -0.138 0.000 2.371 142 I HA 0.268 4.437 4.170 -0.001 0.000 0.290 142 I C 0.566 176.458 176.117 -0.375 0.000 1.028 142 I CA -0.141 61.006 61.300 -0.256 0.000 1.345 142 I CB 0.810 38.697 38.000 -0.188 0.000 1.407 142 I HN 0.297 nan 8.210 nan 0.000 0.501 143 R N 6.233 126.406 120.500 -0.545 0.000 2.494 143 R HA 0.633 4.972 4.340 -0.001 0.000 0.305 143 R C -1.549 174.298 176.300 -0.755 0.000 0.959 143 R CA -0.857 54.931 56.100 -0.521 0.000 0.864 143 R CB 1.881 31.992 30.300 -0.316 0.000 1.159 143 R HN 0.440 nan 8.270 nan 0.000 0.446 144 Y N 0.371 120.291 120.300 -0.633 0.000 2.605 144 Y HA 0.277 4.826 4.550 -0.002 0.000 0.343 144 Y C 0.158 175.720 175.900 -0.563 0.000 1.036 144 Y CA -0.933 56.773 58.100 -0.656 0.000 1.065 144 Y CB 2.222 40.141 38.460 -0.902 0.000 1.288 144 Y HN 0.514 nan 8.280 nan 0.000 0.481 145 Q N -0.416 119.313 119.800 -0.118 0.000 2.587 145 Q HA 0.565 4.904 4.340 -0.001 0.000 0.293 145 Q C -2.034 173.980 176.000 0.023 0.000 1.083 145 Q CA -1.145 54.668 55.803 0.015 0.000 0.792 145 Q CB 2.215 30.970 28.738 0.028 0.000 1.484 145 Q HN 0.653 nan 8.270 nan 0.000 0.446 146 Y N 0.479 120.854 120.300 0.124 0.000 2.310 146 Y HA 0.270 4.819 4.550 -0.001 0.000 0.326 146 Y C 0.433 176.366 175.900 0.054 0.000 1.151 146 Y CA 0.044 58.210 58.100 0.110 0.000 1.195 146 Y CB 1.643 40.194 38.460 0.152 0.000 1.210 146 Y HN 0.761 nan 8.280 nan 0.000 0.483 147 N N 0.371 119.168 118.700 0.162 0.000 2.322 147 N HA 0.113 4.852 4.740 -0.001 0.000 0.181 147 N C -0.844 174.763 175.510 0.161 0.000 1.088 147 N CA 0.067 53.188 53.050 0.119 0.000 0.885 147 N CB 0.864 39.383 38.487 0.053 0.000 1.013 147 N HN 0.316 nan 8.380 nan 0.000 0.472 148 V N -1.785 118.271 119.914 0.237 0.000 3.046 148 V HA 0.465 4.584 4.120 -0.001 0.000 0.316 148 V C -0.025 176.237 176.094 0.281 0.000 1.104 148 V CA -1.370 61.077 62.300 0.246 0.000 1.006 148 V CB 1.444 33.404 31.823 0.230 0.000 1.058 148 V HN -0.063 nan 8.190 nan 0.000 0.440 149 L N 3.702 125.084 121.223 0.266 0.000 2.700 149 L HA 0.191 4.530 4.340 -0.001 0.000 0.276 149 L C -1.989 175.025 176.870 0.240 0.000 1.200 149 L CA -0.619 54.362 54.840 0.234 0.000 0.951 149 L CB 0.075 42.250 42.059 0.192 0.000 1.226 149 L HN 0.560 nan 8.230 nan 0.000 0.489 150 P HA 0.156 nan 4.420 nan 0.000 0.284 150 P C -1.025 176.381 177.300 0.176 0.000 1.253 150 P CA -0.693 62.285 63.100 -0.203 0.000 0.800 150 P CB 0.926 32.143 31.700 -0.806 0.000 0.961 151 Q N 0.933 120.935 119.800 0.337 0.000 2.330 151 Q HA 0.339 4.678 4.340 -0.001 0.000 0.279 151 Q C 1.298 177.506 176.000 0.347 0.000 1.024 151 Q CA 1.315 57.318 55.803 0.333 0.000 0.900 151 Q CB -0.120 28.752 28.738 0.224 0.000 1.221 151 Q HN 0.883 nan 8.270 nan 0.000 0.396 152 G N 1.597 110.585 108.800 0.312 0.000 2.232 152 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.226 152 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.226 152 G C -0.774 174.357 174.900 0.385 0.000 0.996 152 G CA -0.236 45.097 45.100 0.389 0.000 0.626 152 G HN 0.644 nan 8.290 nan 0.000 0.509 153 W N 2.944 124.191 121.300 -0.089 0.000 2.338 153 W HA 0.737 5.396 4.660 -0.001 0.000 0.307 153 W C 1.038 177.322 176.519 -0.390 0.000 1.167 153 W CA -0.973 56.114 57.345 -0.430 0.000 1.208 153 W CB 0.817 29.802 29.460 -0.791 0.000 1.228 153 W HN 0.017 nan 8.180 nan 0.000 0.499 154 K N 3.139 123.021 120.400 -0.863 0.000 2.360 154 K HA -0.070 4.249 4.320 -0.001 0.000 0.201 154 K C 2.009 177.944 176.600 -1.109 0.000 1.046 154 K CA 1.140 56.769 56.287 -1.097 0.000 0.945 154 K CB -0.076 31.295 32.500 -1.882 0.000 0.750 154 K HN 0.773 nan 8.250 nan 0.000 0.464 155 G N 0.488 108.077 108.800 -2.018 0.000 2.443 155 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.219 155 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.219 155 G C 1.437 175.671 174.900 -1.109 0.000 1.131 155 G CA 0.515 44.455 45.100 -1.935 0.000 0.775 155 G HN 0.166 nan 8.290 nan 0.000 0.547 156 S N 1.540 116.678 115.700 -0.936 0.000 2.345 156 S HA -0.056 4.413 4.470 -0.001 0.000 0.220 156 S C 0.217 174.387 174.600 -0.717 0.000 1.031 156 S CA 1.453 59.226 58.200 -0.712 0.000 0.996 156 S CB -0.778 61.847 63.200 -0.959 0.000 0.882 156 S HN 0.383 nan 8.310 nan 0.000 0.445 157 P HA 0.003 nan 4.420 nan 0.000 0.217 157 P C 1.315 178.545 177.300 -0.117 0.000 1.150 157 P CA 1.389 64.363 63.100 -0.210 0.000 0.832 157 P CB -0.143 31.470 31.700 -0.144 0.000 0.787 158 A N 0.169 122.871 122.820 -0.195 0.000 1.908 158 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 158 A C 2.347 179.872 177.584 -0.098 0.000 1.181 158 A CA 1.606 53.557 52.037 -0.142 0.000 0.627 158 A CB -1.564 17.328 19.000 -0.180 0.000 0.818 158 A HN 0.156 nan 8.150 nan 0.000 0.445 159 I N -2.702 117.832 120.570 -0.059 0.000 2.584 159 I HA -0.076 4.094 4.170 -0.001 0.000 0.255 159 I C 1.995 178.163 176.117 0.086 0.000 1.145 159 I CA 0.791 62.113 61.300 0.037 0.000 1.462 159 I CB -0.058 38.004 38.000 0.103 0.000 1.102 159 I HN 0.384 nan 8.210 nan 0.000 0.433 160 F N 1.277 121.198 119.950 -0.048 0.000 2.811 160 F HA -0.017 4.509 4.527 -0.001 0.000 0.301 160 F C 2.287 178.092 175.800 0.008 0.000 1.151 160 F CA 0.570 58.590 58.000 0.033 0.000 1.412 160 F CB -0.222 38.875 39.000 0.162 0.000 1.113 160 F HN 0.028 nan 8.300 nan 0.000 0.579 161 Q N -0.341 119.473 119.800 0.023 0.000 2.014 161 Q HA -0.275 4.064 4.340 -0.001 0.000 0.207 161 Q C 2.500 178.419 176.000 -0.135 0.000 0.993 161 Q CA 2.387 58.173 55.803 -0.027 0.000 0.850 161 Q CB -0.486 28.231 28.738 -0.035 0.000 0.916 161 Q HN 0.378 nan 8.270 nan 0.000 0.417 162 S N -0.632 114.976 115.700 -0.153 0.000 2.374 162 S HA -0.180 4.289 4.470 -0.001 0.000 0.227 162 S C 2.001 176.434 174.600 -0.278 0.000 1.037 162 S CA 1.806 59.904 58.200 -0.170 0.000 1.024 162 S CB -0.301 62.824 63.200 -0.125 0.000 0.861 162 S HN 0.488 nan 8.310 nan 0.000 0.456 163 S N 0.861 116.272 115.700 -0.481 0.000 2.383 163 S HA -0.038 4.431 4.470 -0.001 0.000 0.227 163 S C 1.775 175.971 174.600 -0.673 0.000 1.026 163 S CA 1.460 59.249 58.200 -0.685 0.000 0.981 163 S CB -0.397 62.095 63.200 -1.179 0.000 0.818 163 S HN 0.589 nan 8.310 nan 0.000 0.472 164 M N 2.255 121.515 119.600 -0.566 0.000 2.175 164 M HA -0.082 4.397 4.480 -0.001 0.000 0.264 164 M C 2.232 178.406 176.300 -0.209 0.000 1.063 164 M CA 1.896 57.056 55.300 -0.233 0.000 1.119 164 M CB -1.059 31.568 32.600 0.044 0.000 1.377 164 M HN 0.380 nan 8.290 nan 0.000 0.415 165 T N -2.005 112.439 114.554 -0.183 0.000 2.951 165 T HA -0.065 4.284 4.350 -0.001 0.000 0.268 165 T C 1.726 176.329 174.700 -0.161 0.000 1.073 165 T CA 1.295 63.317 62.100 -0.130 0.000 1.134 165 T CB -0.315 68.503 68.868 -0.083 0.000 0.884 165 T HN 0.510 nan 8.240 nan 0.000 0.479 166 K N 0.632 120.892 120.400 -0.235 0.000 2.057 166 K HA 0.149 4.468 4.320 -0.001 0.000 0.206 166 K C 2.195 178.587 176.600 -0.347 0.000 1.050 166 K CA 1.462 57.605 56.287 -0.240 0.000 0.935 166 K CB -0.321 32.026 32.500 -0.256 0.000 0.715 166 K HN 0.372 nan 8.250 nan 0.000 0.439 167 I N 1.075 121.279 120.570 -0.609 0.000 2.361 167 I HA -0.250 3.919 4.170 -0.001 0.000 0.251 167 I C 1.869 177.817 176.117 -0.283 0.000 1.133 167 I CA 1.242 62.093 61.300 -0.747 0.000 1.413 167 I CB -0.083 37.390 38.000 -0.878 0.000 1.073 167 I HN 0.116 nan 8.210 nan 0.000 0.424 168 L N -0.238 120.866 121.223 -0.198 0.000 2.554 168 L HA 0.014 4.353 4.340 -0.001 0.000 0.225 168 L C 2.439 179.290 176.870 -0.031 0.000 1.104 168 L CA 0.111 54.890 54.840 -0.101 0.000 0.866 168 L CB -0.427 41.588 42.059 -0.074 0.000 1.047 168 L HN 0.220 nan 8.230 nan 0.000 0.468 169 E N 1.794 121.970 120.200 -0.040 0.000 2.070 169 E HA -0.222 4.127 4.350 -0.001 0.000 0.197 169 E C -0.591 176.015 176.600 0.008 0.000 1.004 169 E CA 1.787 58.181 56.400 -0.011 0.000 0.805 169 E CB -0.840 28.853 29.700 -0.011 0.000 0.744 169 E HN 0.291 nan 8.360 nan 0.000 0.451 170 P HA -0.137 nan 4.420 nan 0.000 0.214 170 P C 1.478 178.771 177.300 -0.011 0.000 1.163 170 P CA 1.221 64.354 63.100 0.055 0.000 0.883 170 P CB -0.429 31.372 31.700 0.169 0.000 0.788 171 F N 0.388 120.177 119.950 -0.269 0.000 2.171 171 F HA -0.142 4.384 4.527 -0.001 0.000 0.300 171 F C 2.271 177.979 175.800 -0.153 0.000 1.090 171 F CA 1.448 59.255 58.000 -0.322 0.000 1.293 171 F CB -0.230 38.432 39.000 -0.565 0.000 1.013 171 F HN -0.291 nan 8.300 nan 0.000 0.486 172 R N 0.236 120.757 120.500 0.034 0.000 2.075 172 R HA -0.147 4.192 4.340 -0.001 0.000 0.232 172 R C 2.392 178.633 176.300 -0.098 0.000 1.126 172 R CA 1.479 57.574 56.100 -0.009 0.000 0.963 172 R CB -0.392 29.933 30.300 0.042 0.000 0.858 172 R HN 0.225 nan 8.270 nan 0.000 0.435 173 K N 0.991 121.346 120.400 -0.075 0.000 2.097 173 K HA -0.203 4.116 4.320 -0.001 0.000 0.206 173 K C 1.792 178.328 176.600 -0.107 0.000 1.049 173 K CA 1.568 57.814 56.287 -0.068 0.000 0.933 173 K CB 0.133 32.612 32.500 -0.034 0.000 0.717 173 K HN 0.224 nan 8.250 nan 0.000 0.442 174 Q N -0.137 119.565 119.800 -0.164 0.000 2.311 174 Q HA -0.045 4.294 4.340 -0.001 0.000 0.203 174 Q C -0.365 175.479 176.000 -0.260 0.000 0.954 174 Q CA 0.835 56.525 55.803 -0.188 0.000 0.885 174 Q CB 0.254 28.883 28.738 -0.183 0.000 0.963 174 Q HN 0.306 nan 8.270 nan 0.000 0.471 175 N N 0.372 118.852 118.700 -0.367 0.000 2.790 175 N HA 0.109 4.848 4.740 -0.001 0.000 0.256 175 N C -2.348 173.047 175.510 -0.191 0.000 1.409 175 N CA -1.054 51.802 53.050 -0.324 0.000 0.799 175 N CB 1.268 39.433 38.487 -0.537 0.000 1.170 175 N HN -0.051 nan 8.380 nan 0.000 0.507 176 P HA -0.075 nan 4.420 nan 0.000 0.225 176 P C -0.129 177.145 177.300 -0.043 0.000 1.148 176 P CA 1.090 64.150 63.100 -0.067 0.000 0.779 176 P CB 0.457 32.124 31.700 -0.054 0.000 0.780 177 D N -0.515 119.859 120.400 -0.044 0.000 2.340 177 D HA 0.126 4.765 4.640 -0.001 0.000 0.220 177 D C 0.882 177.181 176.300 -0.001 0.000 1.039 177 D CA 0.187 54.173 54.000 -0.022 0.000 0.866 177 D CB 0.061 40.849 40.800 -0.021 0.000 0.913 177 D HN 0.284 nan 8.370 nan 0.000 0.523 178 I N 1.121 121.695 120.570 0.007 0.000 2.365 178 I HA 0.111 4.280 4.170 -0.001 0.000 0.291 178 I C -0.111 176.052 176.117 0.077 0.000 1.004 178 I CA -0.633 60.706 61.300 0.066 0.000 1.311 178 I CB 1.902 39.983 38.000 0.134 0.000 1.401 178 I HN -0.373 nan 8.210 nan 0.000 0.491 179 V N 7.796 127.754 119.914 0.073 0.000 2.394 179 V HA 0.428 4.547 4.120 -0.001 0.000 0.282 179 V C 0.081 176.239 176.094 0.106 0.000 1.031 179 V CA -0.400 61.937 62.300 0.063 0.000 0.881 179 V CB 1.469 33.299 31.823 0.011 0.000 0.982 179 V HN 0.454 nan 8.190 nan 0.000 0.451 180 I N 5.528 126.170 120.570 0.121 0.000 2.436 180 I HA 0.454 4.623 4.170 -0.001 0.000 0.289 180 I C -1.280 174.963 176.117 0.210 0.000 1.010 180 I CA -0.725 60.660 61.300 0.142 0.000 1.098 180 I CB 1.765 39.817 38.000 0.087 0.000 1.266 180 I HN 0.633 nan 8.210 nan 0.000 0.434 181 Y N 6.192 126.565 120.300 0.122 0.000 2.442 181 Y HA 0.423 4.972 4.550 -0.001 0.000 0.344 181 Y C -0.779 175.274 175.900 0.256 0.000 0.976 181 Y CA -0.749 57.438 58.100 0.145 0.000 1.040 181 Y CB 1.753 40.268 38.460 0.091 0.000 1.228 181 Y HN 0.562 nan 8.280 nan 0.000 0.451 182 Q N 5.119 124.688 119.800 -0.386 0.000 2.271 182 Q HA 0.384 4.723 4.340 -0.001 0.000 0.258 182 Q C -2.237 173.433 176.000 -0.549 0.000 0.936 182 Q CA -0.827 54.810 55.803 -0.277 0.000 0.909 182 Q CB 1.306 29.990 28.738 -0.090 0.000 1.253 182 Q HN 0.782 nan 8.270 nan 0.000 0.440 183 Y N 6.606 126.765 120.300 -0.235 0.000 2.332 183 Y HA 0.263 4.812 4.550 -0.002 0.000 0.325 183 Y C -0.080 175.891 175.900 0.118 0.000 1.054 183 Y CA -0.529 57.516 58.100 -0.093 0.000 1.119 183 Y CB 0.765 39.248 38.460 0.038 0.000 1.168 183 Y HN 0.908 nan 8.280 nan 0.000 0.439 184 M N 1.494 120.829 119.600 -0.441 0.000 7.319 184 M HA -0.395 4.084 4.480 -0.001 0.000 0.312 184 M C 0.187 176.551 176.300 0.107 0.000 0.480 184 M CA 2.140 57.336 55.300 -0.174 0.000 1.311 184 M CB -1.351 31.234 32.600 -0.024 0.000 0.421 184 M HN 0.659 nan 8.290 nan 0.000 0.740 185 D N 1.223 121.727 120.400 0.174 0.000 2.349 185 D HA 0.162 4.801 4.640 -0.001 0.000 0.215 185 D C -0.008 176.295 176.300 0.005 0.000 1.016 185 D CA 0.663 54.712 54.000 0.083 0.000 0.870 185 D CB 0.020 40.844 40.800 0.040 0.000 0.917 185 D HN 0.339 nan 8.370 nan 0.000 0.524 186 D N 0.354 120.817 120.400 0.105 0.000 2.252 186 D HA 0.282 4.921 4.640 -0.001 0.000 0.245 186 D C -0.376 175.914 176.300 -0.016 0.000 1.009 186 D CA -0.644 53.355 54.000 -0.000 0.000 0.870 186 D CB 2.509 43.287 40.800 -0.035 0.000 1.251 186 D HN -0.132 nan 8.370 nan 0.000 0.460 187 L N 1.823 122.971 121.223 -0.126 0.000 2.295 187 L HA 0.297 4.636 4.340 -0.001 0.000 0.285 187 L C -1.166 175.604 176.870 -0.167 0.000 1.035 187 L CA -0.490 54.311 54.840 -0.065 0.000 0.806 187 L CB 0.667 42.679 42.059 -0.078 0.000 1.214 187 L HN 0.250 nan 8.230 nan 0.000 0.426 188 Y N 3.479 123.828 120.300 0.082 0.000 2.335 188 Y HA 0.598 5.147 4.550 -0.001 0.000 0.338 188 Y C -0.241 175.705 175.900 0.077 0.000 0.977 188 Y CA -0.816 57.346 58.100 0.104 0.000 1.114 188 Y CB 1.729 40.310 38.460 0.203 0.000 1.182 188 Y HN 0.184 nan 8.280 nan 0.000 0.463 189 V N 3.036 123.036 119.914 0.144 0.000 2.407 189 V HA 0.747 4.867 4.120 -0.001 0.000 0.291 189 V C 0.110 176.296 176.094 0.155 0.000 1.018 189 V CA -0.822 61.541 62.300 0.105 0.000 0.842 189 V CB 1.504 33.327 31.823 0.001 0.000 0.996 189 V HN 0.922 nan 8.190 nan 0.000 0.426 190 G N 2.747 111.632 108.800 0.143 0.000 2.530 190 G HA2 0.715 4.675 3.960 -0.001 0.000 0.316 190 G HA3 0.715 4.675 3.960 -0.001 0.000 0.316 190 G C -0.444 174.541 174.900 0.140 0.000 1.298 190 G CA -0.200 44.977 45.100 0.130 0.000 0.948 190 G HN 0.903 nan 8.290 nan 0.000 0.486 191 S N 0.298 116.113 115.700 0.193 0.000 2.661 191 S HA 0.543 5.012 4.470 -0.001 0.000 0.285 191 S C -0.591 174.054 174.600 0.075 0.000 1.138 191 S CA -0.793 57.501 58.200 0.157 0.000 0.855 191 S CB 2.484 65.843 63.200 0.265 0.000 1.136 191 S HN 0.287 nan 8.310 nan 0.000 0.484 192 D N 0.696 121.125 120.400 0.049 0.000 2.363 192 D HA 0.297 4.936 4.640 -0.001 0.000 0.214 192 D C 0.408 176.728 176.300 0.034 0.000 1.093 192 D CA 0.013 54.022 54.000 0.016 0.000 0.837 192 D CB -0.037 40.760 40.800 -0.004 0.000 0.948 192 D HN 0.446 nan 8.370 nan 0.000 0.507 193 L N 1.450 122.723 121.223 0.083 0.000 2.482 193 L HA 0.022 4.361 4.340 -0.001 0.000 0.273 193 L C 1.103 178.017 176.870 0.073 0.000 1.228 193 L CA -0.322 54.569 54.840 0.085 0.000 0.827 193 L CB 0.123 42.259 42.059 0.129 0.000 1.099 193 L HN 0.006 nan 8.230 nan 0.000 0.494 194 E N 0.826 121.060 120.200 0.057 0.000 2.415 194 E HA -0.053 4.296 4.350 -0.001 0.000 0.262 194 E C 0.727 177.375 176.600 0.079 0.000 1.038 194 E CA -0.296 56.131 56.400 0.045 0.000 0.921 194 E CB 0.587 30.305 29.700 0.031 0.000 0.950 194 E HN 0.451 nan 8.360 nan 0.000 0.438 195 I N 3.165 123.771 120.570 0.060 0.000 2.335 195 I HA -0.088 4.081 4.170 -0.001 0.000 0.251 195 I C 1.731 177.924 176.117 0.128 0.000 1.129 195 I CA 2.206 63.561 61.300 0.092 0.000 1.402 195 I CB -0.810 37.226 38.000 0.059 0.000 1.069 195 I HN 0.803 nan 8.210 nan 0.000 0.424 196 G N -0.682 108.169 108.800 0.086 0.000 2.404 196 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.215 196 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.215 196 G C 1.535 176.485 174.900 0.084 0.000 1.174 196 G CA 0.613 45.759 45.100 0.077 0.000 0.780 196 G HN 0.522 nan 8.290 nan 0.000 0.537 197 Q N -0.777 119.074 119.800 0.085 0.000 2.167 197 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 197 Q C 2.195 178.255 176.000 0.100 0.000 0.970 197 Q CA 1.299 57.148 55.803 0.077 0.000 0.855 197 Q CB -0.181 28.596 28.738 0.065 0.000 0.911 197 Q HN 0.764 nan 8.270 nan 0.000 0.438 198 H N 0.826 119.922 119.070 0.044 0.000 2.326 198 H HA -0.007 4.548 4.556 -0.002 0.000 0.301 198 H C 1.958 177.318 175.328 0.053 0.000 1.081 198 H CA 1.549 57.627 56.048 0.050 0.000 1.334 198 H CB 0.272 30.061 29.762 0.045 0.000 1.385 198 H HN -0.001 nan 8.280 nan 0.000 0.504 199 R N -0.692 119.885 120.500 0.128 0.000 2.096 199 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 199 R C 2.277 178.583 176.300 0.010 0.000 1.127 199 R CA 1.728 57.866 56.100 0.064 0.000 0.968 199 R CB -0.218 30.143 30.300 0.101 0.000 0.861 199 R HN 0.345 nan 8.270 nan 0.000 0.440 200 T N 1.031 115.602 114.554 0.029 0.000 2.746 200 T HA -0.098 4.252 4.350 -0.001 0.000 0.267 200 T C 1.628 176.351 174.700 0.038 0.000 1.039 200 T CA 1.055 63.175 62.100 0.033 0.000 1.142 200 T CB 0.013 68.906 68.868 0.041 0.000 0.866 200 T HN 0.091 nan 8.240 nan 0.000 0.444 201 K N 0.813 121.226 120.400 0.023 0.000 2.155 201 K HA 0.100 4.419 4.320 -0.001 0.000 0.203 201 K C 2.184 178.808 176.600 0.040 0.000 1.052 201 K CA 0.552 56.893 56.287 0.090 0.000 0.948 201 K CB -0.389 32.159 32.500 0.081 0.000 0.728 201 K HN 0.322 nan 8.250 nan 0.000 0.448 202 I N 1.740 122.248 120.570 -0.103 0.000 2.226 202 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 202 I C 2.513 178.589 176.117 -0.069 0.000 1.100 202 I CA 1.208 62.428 61.300 -0.134 0.000 1.374 202 I CB -0.974 36.944 38.000 -0.137 0.000 1.057 202 I HN 0.335 nan 8.210 nan 0.000 0.413 203 E N 1.545 121.733 120.200 -0.020 0.000 2.058 203 E HA -0.300 4.049 4.350 -0.001 0.000 0.194 203 E C 2.020 178.640 176.600 0.033 0.000 0.997 203 E CA 1.849 58.252 56.400 0.005 0.000 0.801 203 E CB -0.170 29.541 29.700 0.018 0.000 0.746 203 E HN 0.564 nan 8.360 nan 0.000 0.450 204 E N 0.435 120.687 120.200 0.087 0.000 2.058 204 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 204 E C 2.465 179.199 176.600 0.224 0.000 0.997 204 E CA 1.095 57.609 56.400 0.189 0.000 0.801 204 E CB -0.185 29.704 29.700 0.314 0.000 0.746 204 E HN 0.332 nan 8.360 nan 0.000 0.450 205 L N 0.507 121.724 121.223 -0.010 0.000 2.046 205 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 205 L C 2.553 179.374 176.870 -0.082 0.000 1.077 205 L CA 1.251 55.894 54.840 -0.329 0.000 0.747 205 L CB -0.216 41.397 42.059 -0.744 0.000 0.896 205 L HN 0.178 nan 8.230 nan 0.000 0.432 206 R N -0.743 119.723 120.500 -0.058 0.000 2.105 206 R HA -0.199 4.140 4.340 -0.001 0.000 0.239 206 R C 2.197 178.510 176.300 0.021 0.000 1.135 206 R CA 1.254 57.338 56.100 -0.026 0.000 0.967 206 R CB -0.196 30.088 30.300 -0.027 0.000 0.861 206 R HN 0.498 nan 8.270 nan 0.000 0.442 207 Q N -0.328 119.491 119.800 0.033 0.000 2.079 207 Q HA -0.125 4.214 4.340 -0.001 0.000 0.200 207 Q C 2.040 178.046 176.000 0.010 0.000 0.974 207 Q CA 1.329 57.133 55.803 0.002 0.000 0.840 207 Q CB -0.305 28.409 28.738 -0.041 0.000 0.898 207 Q HN 0.607 nan 8.270 nan 0.000 0.430 208 H N 0.074 119.190 119.070 0.076 0.000 2.290 208 H HA -0.123 4.432 4.556 -0.002 0.000 0.298 208 H C 2.163 177.621 175.328 0.216 0.000 1.087 208 H CA 1.050 57.190 56.048 0.154 0.000 1.291 208 H CB -0.028 29.802 29.762 0.112 0.000 1.369 208 H HN 0.106 nan 8.280 nan 0.000 0.492 209 L N 0.739 122.101 121.223 0.231 0.000 2.013 209 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 209 L C 2.652 179.645 176.870 0.205 0.000 1.073 209 L CA 1.114 56.054 54.840 0.167 0.000 0.753 209 L CB -1.153 40.930 42.059 0.039 0.000 0.890 209 L HN 0.194 nan 8.230 nan 0.000 0.432 210 L N -0.879 120.419 121.223 0.126 0.000 2.187 210 L HA -0.199 4.140 4.340 -0.001 0.000 0.213 210 L C 2.426 179.348 176.870 0.086 0.000 1.100 210 L CA 1.509 56.398 54.840 0.082 0.000 0.765 210 L CB -0.514 41.566 42.059 0.034 0.000 0.904 210 L HN 0.111 nan 8.230 nan 0.000 0.437 211 R N -1.812 118.759 120.500 0.117 0.000 2.235 211 R HA -0.071 4.269 4.340 -0.001 0.000 0.213 211 R C 1.073 177.286 176.300 -0.145 0.000 1.059 211 R CA 1.131 57.211 56.100 -0.034 0.000 0.997 211 R CB -0.439 29.805 30.300 -0.094 0.000 0.884 211 R HN 0.528 nan 8.270 nan 0.000 0.462 212 W N -1.337 119.994 121.300 0.051 0.000 3.008 212 W HA 0.418 5.077 4.660 -0.002 0.000 0.355 212 W C 0.463 177.022 176.519 0.066 0.000 1.095 212 W CA 0.263 57.653 57.345 0.075 0.000 1.738 212 W CB 0.616 30.142 29.460 0.110 0.000 1.091 212 W HN 0.092 nan 8.180 nan 0.000 0.574 213 G N 1.632 110.553 108.800 0.202 0.000 2.327 213 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.159 213 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.159 213 G C -1.017 173.918 174.900 0.057 0.000 1.056 213 G CA -0.560 44.608 45.100 0.113 0.000 0.751 213 G HN 0.121 nan 8.290 nan 0.000 0.488 214 L N 2.474 123.727 121.223 0.050 0.000 2.415 214 L HA 0.648 4.987 4.340 -0.001 0.000 0.268 214 L C 0.803 177.665 176.870 -0.012 0.000 0.984 214 L CA 0.403 55.234 54.840 -0.015 0.000 0.853 214 L CB 0.939 42.975 42.059 -0.038 0.000 1.215 214 L HN 0.457 nan 8.230 nan 0.000 0.419 233 E N 2.343 122.483 120.200 -0.101 0.000 2.176 233 E HA 0.488 4.837 4.350 -0.001 0.000 0.267 233 E C -1.578 174.837 176.600 -0.308 0.000 0.893 233 E CA -1.053 55.208 56.400 -0.232 0.000 0.761 233 E CB 2.451 32.086 29.700 -0.109 0.000 1.133 233 E HN 0.381 nan 8.360 nan 0.000 0.409 234 L N 2.628 123.601 121.223 -0.416 0.000 2.344 234 L HA 0.331 4.670 4.340 -0.001 0.000 0.272 234 L C -0.152 176.312 176.870 -0.678 0.000 1.035 234 L CA -0.601 54.077 54.840 -0.270 0.000 0.807 234 L CB 0.801 42.848 42.059 -0.020 0.000 1.237 234 L HN 0.561 nan 8.230 nan 0.000 0.442 235 H N 2.564 121.578 119.070 -0.094 0.000 2.569 235 H HA 0.244 4.799 4.556 -0.001 0.000 0.247 235 H C -1.898 173.003 175.328 -0.711 0.000 1.346 235 H CA -1.434 54.441 56.048 -0.288 0.000 1.502 235 H CB 1.125 30.806 29.762 -0.135 0.000 1.512 235 H HN 0.345 nan 8.280 nan 0.000 0.502 236 P HA -0.132 nan 4.420 nan 0.000 0.221 236 P C 0.942 177.675 177.300 -0.945 0.000 1.145 236 P CA 1.028 62.986 63.100 -1.904 0.000 0.795 236 P CB 0.592 31.525 31.700 -1.278 0.000 0.775 237 D N 0.041 120.152 120.400 -0.480 0.000 2.084 237 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 237 D C 1.467 177.706 176.300 -0.101 0.000 0.990 237 D CA 1.147 55.019 54.000 -0.214 0.000 0.826 237 D CB -0.630 40.089 40.800 -0.134 0.000 0.971 237 D HN 0.111 nan 8.370 nan 0.000 0.453 238 K N 0.337 120.696 120.400 -0.069 0.000 2.633 238 K HA -0.075 4.244 4.320 -0.001 0.000 0.193 238 K C -0.110 176.675 176.600 0.309 0.000 1.033 238 K CA 0.120 56.465 56.287 0.096 0.000 0.980 238 K CB -0.524 32.049 32.500 0.121 0.000 0.800 238 K HN 0.278 nan 8.250 nan 0.000 0.493 239 W N 2.524 123.850 121.300 0.043 0.000 2.342 239 W HA 0.190 4.849 4.660 -0.001 0.000 0.310 239 W C 0.616 177.155 176.519 0.033 0.000 1.128 239 W CA -1.072 56.300 57.345 0.045 0.000 1.322 239 W CB -0.166 29.310 29.460 0.028 0.000 1.251 239 W HN -0.105 nan 8.180 nan 0.000 0.439 240 T N -0.969 113.733 114.554 0.246 0.000 2.916 240 T HA 0.626 4.975 4.350 -0.001 0.000 0.292 240 T C 0.049 174.822 174.700 0.121 0.000 1.055 240 T CA -1.004 61.188 62.100 0.153 0.000 1.009 240 T CB 1.518 70.452 68.868 0.111 0.000 1.118 240 T HN 0.300 nan 8.240 nan 0.000 0.497 241 V N -0.175 119.799 119.914 0.101 0.000 2.901 241 V HA 0.334 4.453 4.120 -0.001 0.000 0.307 241 V C 0.246 176.378 176.094 0.062 0.000 1.084 241 V CA -0.444 61.906 62.300 0.083 0.000 1.184 241 V CB 0.148 32.033 31.823 0.104 0.000 0.941 241 V HN 0.982 nan 8.190 nan 0.000 0.493 242 Q N 6.046 125.864 119.800 0.030 0.000 2.509 242 Q HA 0.455 4.794 4.340 -0.001 0.000 0.230 242 Q C -2.377 173.679 176.000 0.092 0.000 1.089 242 Q CA -2.296 53.528 55.803 0.034 0.000 0.901 242 Q CB 0.747 29.465 28.738 -0.033 0.000 1.208 242 Q HN 0.802 nan 8.270 nan 0.000 0.529 243 P HA 0.031 nan 4.420 nan 0.000 0.269 243 P C -0.372 177.025 177.300 0.160 0.000 1.215 243 P CA -0.166 63.011 63.100 0.129 0.000 0.780 243 P CB 0.780 32.522 31.700 0.070 0.000 0.898 244 I N 1.672 122.370 120.570 0.213 0.000 2.741 244 I HA -0.053 4.116 4.170 -0.001 0.000 0.288 244 I C 0.822 176.997 176.117 0.096 0.000 1.192 244 I CA 0.470 61.886 61.300 0.193 0.000 1.426 244 I CB -0.038 38.109 38.000 0.246 0.000 1.367 244 I HN 0.121 nan 8.210 nan 0.000 0.563 245 V N 5.869 125.837 119.914 0.091 0.000 2.483 245 V HA 0.595 4.714 4.120 -0.001 0.000 0.295 245 V C -0.334 175.804 176.094 0.073 0.000 1.035 245 V CA -0.921 61.419 62.300 0.067 0.000 0.896 245 V CB 1.544 33.404 31.823 0.061 0.000 0.986 245 V HN 0.464 nan 8.190 nan 0.000 0.447 246 L N 5.854 127.120 121.223 0.072 0.000 2.272 246 L HA 0.525 4.864 4.340 -0.001 0.000 0.289 246 L C -1.982 174.970 176.870 0.137 0.000 1.032 246 L CA -1.686 53.219 54.840 0.108 0.000 0.810 246 L CB 1.714 43.826 42.059 0.089 0.000 1.205 246 L HN 0.529 nan 8.230 nan 0.000 0.422 247 P HA 0.034 nan 4.420 nan 0.000 0.266 247 P C -0.889 176.528 177.300 0.194 0.000 1.195 247 P CA -0.236 62.927 63.100 0.105 0.000 0.768 247 P CB 0.540 32.243 31.700 0.004 0.000 0.838 248 E N 1.852 122.115 120.200 0.105 0.000 2.231 248 E HA 0.530 4.879 4.350 -0.001 0.000 0.277 248 E C -0.536 176.049 176.600 -0.026 0.000 0.999 248 E CA -1.008 55.480 56.400 0.147 0.000 0.827 248 E CB 1.637 31.394 29.700 0.095 0.000 1.101 248 E HN 0.310 nan 8.360 nan 0.000 0.393 249 K N 2.036 122.410 120.400 -0.043 0.000 2.498 249 K HA 0.093 4.412 4.320 -0.001 0.000 0.254 249 K C -0.482 176.017 176.600 -0.167 0.000 0.933 249 K CA -0.559 55.504 56.287 -0.373 0.000 0.806 249 K CB 1.577 33.344 32.500 -1.221 0.000 1.301 249 K HN 0.697 nan 8.250 nan 0.000 0.432 250 D N 0.608 120.912 120.400 -0.159 0.000 2.240 250 D HA -0.229 4.410 4.640 -0.001 0.000 0.204 250 D C 0.611 176.896 176.300 -0.025 0.000 1.018 250 D CA 1.427 55.388 54.000 -0.065 0.000 0.887 250 D CB -0.159 40.595 40.800 -0.076 0.000 1.087 250 D HN 0.397 nan 8.370 nan 0.000 0.464 251 S N -2.416 113.226 115.700 -0.096 0.000 2.689 251 S HA 0.606 5.075 4.470 -0.001 0.000 0.306 251 S C -1.444 173.073 174.600 -0.138 0.000 1.104 251 S CA -1.149 57.059 58.200 0.014 0.000 0.973 251 S CB 1.227 64.443 63.200 0.027 0.000 1.121 251 S HN 0.385 nan 8.310 nan 0.000 0.523 252 W N 0.778 122.079 121.300 0.003 0.000 2.785 252 W HA 0.555 5.214 4.660 -0.001 0.000 0.333 252 W C 0.220 176.742 176.519 0.005 0.000 1.062 252 W CA -0.462 56.886 57.345 0.004 0.000 1.233 252 W CB 1.863 31.326 29.460 0.005 0.000 1.413 252 W HN 0.929 nan 8.180 nan 0.000 0.489 253 T N -1.724 112.948 114.554 0.197 0.000 2.927 253 T HA 0.317 4.666 4.350 -0.001 0.000 0.281 253 T C 0.847 175.637 174.700 0.151 0.000 0.998 253 T CA -0.717 61.461 62.100 0.129 0.000 1.019 253 T CB 1.327 70.234 68.868 0.065 0.000 1.061 253 T HN 0.227 nan 8.240 nan 0.000 0.518 254 V N 1.842 121.816 119.914 0.100 0.000 2.282 254 V HA -0.227 3.892 4.120 -0.001 0.000 0.249 254 V C 2.863 179.013 176.094 0.093 0.000 1.057 254 V CA 2.533 64.884 62.300 0.085 0.000 1.032 254 V CB -1.368 30.489 31.823 0.056 0.000 0.645 254 V HN 1.001 nan 8.190 nan 0.000 0.447 255 N N 0.367 119.115 118.700 0.080 0.000 2.104 255 N HA -0.202 4.537 4.740 -0.001 0.000 0.190 255 N C 1.503 177.078 175.510 0.109 0.000 1.024 255 N CA 1.845 54.940 53.050 0.075 0.000 0.853 255 N CB -0.315 38.202 38.487 0.049 0.000 1.008 255 N HN 0.476 nan 8.380 nan 0.000 0.424 256 D N -0.180 120.304 120.400 0.140 0.000 2.144 256 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 256 D C 1.813 178.317 176.300 0.341 0.000 0.984 256 D CA 0.672 54.803 54.000 0.218 0.000 0.834 256 D CB -0.106 40.827 40.800 0.222 0.000 0.955 256 D HN 0.349 nan 8.370 nan 0.000 0.465 257 I N 0.893 121.627 120.570 0.273 0.000 2.353 257 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 257 I C 2.269 178.452 176.117 0.110 0.000 1.119 257 I CA 0.939 62.336 61.300 0.163 0.000 1.417 257 I CB -1.021 37.023 38.000 0.074 0.000 1.078 257 I HN 0.083 nan 8.210 nan 0.000 0.421 258 Q N 0.746 120.610 119.800 0.108 0.000 2.079 258 Q HA -0.160 4.179 4.340 -0.001 0.000 0.200 258 Q C 2.231 178.302 176.000 0.119 0.000 0.974 258 Q CA 1.153 57.011 55.803 0.092 0.000 0.840 258 Q CB -0.091 28.696 28.738 0.082 0.000 0.898 258 Q HN 0.461 nan 8.270 nan 0.000 0.430 259 K N 0.806 121.290 120.400 0.138 0.000 2.032 259 K HA -0.138 4.181 4.320 -0.001 0.000 0.209 259 K C 2.150 178.854 176.600 0.174 0.000 1.048 259 K CA 0.906 57.292 56.287 0.166 0.000 0.927 259 K CB -0.274 32.312 32.500 0.143 0.000 0.712 259 K HN 0.231 nan 8.250 nan 0.000 0.441 260 L N 1.146 122.472 121.223 0.172 0.000 2.012 260 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 260 L C 2.245 179.154 176.870 0.065 0.000 1.073 260 L CA 1.417 56.342 54.840 0.142 0.000 0.748 260 L CB -0.261 41.881 42.059 0.139 0.000 0.891 260 L HN 0.011 nan 8.230 nan 0.000 0.431 261 V N -0.093 119.849 119.914 0.047 0.000 2.407 261 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 261 V C 2.614 178.709 176.094 0.000 0.000 1.055 261 V CA 1.779 64.085 62.300 0.011 0.000 1.049 261 V CB -1.135 30.695 31.823 0.013 0.000 0.662 261 V HN 0.647 nan 8.190 nan 0.000 0.455 262 G N -0.717 108.111 108.800 0.048 0.000 2.422 262 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 262 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 262 G C 1.642 176.374 174.900 -0.280 0.000 1.140 262 G CA 0.849 45.959 45.100 0.016 0.000 0.775 262 G HN 0.488 nan 8.290 nan 0.000 0.545 263 K N -0.132 120.181 120.400 -0.144 0.000 2.103 263 K HA 0.155 4.475 4.320 -0.001 0.000 0.204 263 K C 2.396 178.937 176.600 -0.098 0.000 1.052 263 K CA 0.453 56.595 56.287 -0.242 0.000 0.945 263 K CB -0.177 32.365 32.500 0.071 0.000 0.722 263 K HN 0.312 nan 8.250 nan 0.000 0.443 264 L N 0.966 122.156 121.223 -0.055 0.000 2.109 264 L HA -0.143 4.196 4.340 -0.001 0.000 0.207 264 L C 2.283 179.109 176.870 -0.074 0.000 1.086 264 L CA 1.241 56.056 54.840 -0.041 0.000 0.760 264 L CB -0.592 41.443 42.059 -0.040 0.000 0.910 264 L HN 0.331 nan 8.230 nan 0.000 0.437 265 N N -0.087 118.550 118.700 -0.105 0.000 2.094 265 N HA -0.310 4.429 4.740 -0.001 0.000 0.191 265 N C 1.768 177.190 175.510 -0.147 0.000 1.023 265 N CA 1.848 54.829 53.050 -0.116 0.000 0.857 265 N CB -0.351 38.071 38.487 -0.108 0.000 1.013 265 N HN 0.438 nan 8.380 nan 0.000 0.426 266 W N 0.506 121.519 121.300 -0.479 0.000 2.453 266 W HA 0.270 4.929 4.660 -0.001 0.000 0.289 266 W C 2.166 178.576 176.519 -0.182 0.000 1.215 266 W CA 1.188 58.250 57.345 -0.472 0.000 1.297 266 W CB -0.425 28.367 29.460 -1.113 0.000 1.113 266 W HN 0.147 nan 8.180 nan 0.000 0.551 267 A N -0.086 122.627 122.820 -0.178 0.000 1.972 267 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 267 A C 2.037 179.520 177.584 -0.167 0.000 1.169 267 A CA 1.988 53.874 52.037 -0.251 0.000 0.635 267 A CB -1.386 17.626 19.000 0.021 0.000 0.810 267 A HN 0.300 nan 8.150 nan 0.000 0.446 268 S N -0.780 114.829 115.700 -0.152 0.000 2.419 268 S HA -0.167 4.302 4.470 -0.001 0.000 0.235 268 S C 1.946 176.447 174.600 -0.164 0.000 1.019 268 S CA 1.354 59.486 58.200 -0.112 0.000 0.982 268 S CB -0.350 62.789 63.200 -0.102 0.000 0.789 268 S HN 0.606 nan 8.310 nan 0.000 0.490 269 Q N -0.109 119.527 119.800 -0.273 0.000 2.436 269 Q HA 0.141 4.480 4.340 -0.001 0.000 0.209 269 Q C 1.615 177.463 176.000 -0.254 0.000 0.965 269 Q CA 0.784 56.413 55.803 -0.290 0.000 0.910 269 Q CB -0.018 28.492 28.738 -0.380 0.000 0.980 269 Q HN 0.625 nan 8.270 nan 0.000 0.491 270 I N -2.347 118.052 120.570 -0.284 0.000 3.673 270 I HA -0.004 4.165 4.170 -0.001 0.000 0.281 270 I C -0.202 175.688 176.117 -0.379 0.000 1.182 270 I CA 0.034 61.118 61.300 -0.361 0.000 1.391 270 I CB 0.501 38.168 38.000 -0.555 0.000 1.383 270 I HN -0.094 nan 8.210 nan 0.000 0.456 271 Y N 4.136 124.348 120.300 -0.148 0.000 2.404 271 Y HA 0.315 4.864 4.550 -0.002 0.000 0.344 271 Y C -2.183 173.679 175.900 -0.064 0.000 0.970 271 Y CA -2.922 55.130 58.100 -0.079 0.000 1.180 271 Y CB 0.120 38.543 38.460 -0.063 0.000 1.138 271 Y HN -0.049 nan 8.280 nan 0.000 0.510 272 P HA 0.136 nan 4.420 nan 0.000 0.271 272 P C 0.798 178.148 177.300 0.083 0.000 1.226 272 P CA 0.769 63.901 63.100 0.053 0.000 0.765 272 P CB 1.237 32.962 31.700 0.041 0.000 0.835 273 G N 3.000 111.827 108.800 0.045 0.000 2.231 273 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.206 273 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.206 273 G C 0.149 175.057 174.900 0.012 0.000 0.996 273 G CA -0.534 44.586 45.100 0.033 0.000 0.645 273 G HN 0.456 nan 8.290 nan 0.000 0.498 274 I N 1.546 122.123 120.570 0.012 0.000 2.683 274 I HA 0.267 4.437 4.170 -0.001 0.000 0.286 274 I C 0.596 176.698 176.117 -0.026 0.000 1.175 274 I CA 0.807 62.098 61.300 -0.015 0.000 1.429 274 I CB 0.569 38.559 38.000 -0.018 0.000 1.371 274 I HN 0.154 nan 8.210 nan 0.000 0.569 275 K N 4.642 125.022 120.400 -0.034 0.000 2.378 275 K HA 0.539 4.858 4.320 -0.001 0.000 0.252 275 K C 0.095 176.668 176.600 -0.045 0.000 0.931 275 K CA -0.578 55.688 56.287 -0.036 0.000 0.794 275 K CB 2.817 35.298 32.500 -0.032 0.000 1.181 275 K HN 0.286 nan 8.250 nan 0.000 0.425 276 V N 1.348 121.236 119.914 -0.044 0.000 3.539 276 V HA -0.003 4.116 4.120 -0.001 0.000 0.262 276 V C 1.750 177.816 176.094 -0.047 0.000 1.381 276 V CA -0.030 62.241 62.300 -0.048 0.000 1.060 276 V CB 0.087 31.883 31.823 -0.045 0.000 0.842 276 V HN 0.639 nan 8.190 nan 0.000 0.445 277 R N 1.400 121.876 120.500 -0.040 0.000 2.179 277 R HA -0.253 4.086 4.340 -0.001 0.000 0.238 277 R C 1.922 178.198 176.300 -0.040 0.000 1.119 277 R CA 2.084 58.163 56.100 -0.036 0.000 0.915 277 R CB -0.821 29.461 30.300 -0.031 0.000 0.870 277 R HN 0.573 nan 8.270 nan 0.000 0.432 278 Q N 0.302 120.075 119.800 -0.045 0.000 2.466 278 Q HA -0.028 4.311 4.340 -0.001 0.000 0.210 278 Q C 1.507 177.468 176.000 -0.066 0.000 0.961 278 Q CA 0.076 55.850 55.803 -0.049 0.000 0.953 278 Q CB 0.117 28.827 28.738 -0.046 0.000 1.011 278 Q HN 0.110 nan 8.270 nan 0.000 0.516 279 L N -0.547 120.633 121.223 -0.072 0.000 2.286 279 L HA -0.009 4.330 4.340 -0.001 0.000 0.203 279 L C 2.046 178.869 176.870 -0.078 0.000 1.068 279 L CA 1.075 55.857 54.840 -0.097 0.000 0.811 279 L CB -0.290 41.704 42.059 -0.109 0.000 0.989 279 L HN 0.390 nan 8.230 nan 0.000 0.467 280 C N -1.791 117.477 119.300 -0.054 0.000 2.522 280 C HA 0.073 4.532 4.460 -0.001 0.000 0.271 280 C C 2.274 177.246 174.990 -0.030 0.000 1.425 280 C CA -0.370 58.627 59.018 -0.035 0.000 1.751 280 C CB -1.385 26.341 27.740 -0.024 0.000 1.775 280 C HN 0.389 nan 8.230 nan 0.000 0.557 281 K N 1.204 121.583 120.400 -0.035 0.000 2.211 281 K HA -0.071 4.248 4.320 -0.001 0.000 0.204 281 K C 1.837 178.420 176.600 -0.028 0.000 1.047 281 K CA 1.322 57.591 56.287 -0.029 0.000 0.935 281 K CB -0.245 32.235 32.500 -0.033 0.000 0.728 281 K HN 0.628 nan 8.250 nan 0.000 0.452 282 L N 0.584 121.785 121.223 -0.038 0.000 2.093 282 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 282 L C 1.157 178.019 176.870 -0.014 0.000 1.085 282 L CA 0.668 55.488 54.840 -0.033 0.000 0.755 282 L CB -0.275 41.751 42.059 -0.055 0.000 0.904 282 L HN 0.098 nan 8.230 nan 0.000 0.435 283 L N 1.460 122.676 121.223 -0.011 0.000 2.437 283 L HA 0.124 4.463 4.340 -0.001 0.000 0.243 283 L C 0.192 177.064 176.870 0.002 0.000 1.346 283 L CA -0.261 54.580 54.840 0.002 0.000 1.233 283 L CB -0.493 41.571 42.059 0.007 0.000 1.436 283 L HN 0.092 nan 8.230 nan 0.000 0.416 284 R N 1.363 121.864 120.500 0.002 0.000 2.532 284 R HA 0.748 5.088 4.340 -0.001 0.000 0.295 284 R C 0.394 176.697 176.300 0.005 0.000 0.968 284 R CA 0.495 56.596 56.100 0.001 0.000 0.916 284 R CB 1.374 31.673 30.300 -0.002 0.000 1.124 284 R HN 0.471 nan 8.270 nan 0.000 0.463 285 G N 1.583 110.386 108.800 0.005 0.000 2.598 285 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.244 285 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.244 285 G C -0.806 174.100 174.900 0.010 0.000 1.302 285 G CA -0.025 45.079 45.100 0.007 0.000 0.903 285 G HN 1.121 nan 8.290 nan 0.000 0.575 286 T N -1.478 113.082 114.554 0.011 0.000 2.893 286 T HA 0.695 5.044 4.350 -0.001 0.000 0.324 286 T C -0.211 174.498 174.700 0.014 0.000 1.082 286 T CA -0.431 61.677 62.100 0.013 0.000 0.983 286 T CB 1.245 70.120 68.868 0.012 0.000 1.005 286 T HN 0.696 nan 8.240 nan 0.000 0.475 287 K N 2.145 122.555 120.400 0.017 0.000 2.156 287 K HA 0.731 5.050 4.320 -0.001 0.000 0.250 287 K C 0.266 176.878 176.600 0.021 0.000 0.955 287 K CA -1.089 55.209 56.287 0.019 0.000 0.855 287 K CB 2.090 34.603 32.500 0.021 0.000 1.101 287 K HN 0.768 nan 8.250 nan 0.000 0.434 288 A N 2.278 125.110 122.820 0.020 0.000 2.531 288 A HA 0.026 4.345 4.320 -0.001 0.000 0.236 288 A C 1.300 178.899 177.584 0.025 0.000 1.062 288 A CA -0.015 52.033 52.037 0.020 0.000 0.760 288 A CB -0.113 18.898 19.000 0.017 0.000 0.995 288 A HN 0.823 nan 8.150 nan 0.000 0.501 289 L N 1.748 122.986 121.223 0.024 0.000 2.131 289 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 289 L C 2.528 179.417 176.870 0.031 0.000 1.092 289 L CA 1.968 56.826 54.840 0.030 0.000 0.759 289 L CB -0.571 41.503 42.059 0.025 0.000 0.903 289 L HN 0.993 nan 8.230 nan 0.000 0.435 290 T N -4.080 110.488 114.554 0.024 0.000 3.107 290 T HA -0.013 4.336 4.350 -0.001 0.000 0.249 290 T C 0.680 175.396 174.700 0.026 0.000 1.096 290 T CA -0.313 61.800 62.100 0.021 0.000 1.012 290 T CB -0.067 68.808 68.868 0.012 0.000 0.977 290 T HN 0.264 nan 8.240 nan 0.000 0.527 291 E N 1.671 121.889 120.200 0.030 0.000 2.384 291 E HA 0.274 4.623 4.350 -0.001 0.000 0.266 291 E C -0.754 175.874 176.600 0.046 0.000 1.012 291 E CA -0.516 55.903 56.400 0.032 0.000 0.901 291 E CB 0.746 30.464 29.700 0.029 0.000 0.967 291 E HN 0.113 nan 8.360 nan 0.000 0.435 292 V N 6.398 126.340 119.914 0.047 0.000 2.546 292 V HA 0.282 4.402 4.120 -0.001 0.000 0.284 292 V C 0.363 176.498 176.094 0.069 0.000 1.050 292 V CA -0.330 62.010 62.300 0.067 0.000 0.981 292 V CB 0.965 32.823 31.823 0.058 0.000 0.990 292 V HN 0.642 nan 8.190 nan 0.000 0.474 293 I N 6.849 127.475 120.570 0.093 0.000 2.466 293 I HA 0.583 4.752 4.170 -0.001 0.000 0.289 293 I C -2.281 173.880 176.117 0.073 0.000 1.026 293 I CA -2.330 59.011 61.300 0.067 0.000 1.078 293 I CB 2.691 40.720 38.000 0.048 0.000 1.249 293 I HN 0.504 nan 8.210 nan 0.000 0.429 294 P HA 0.126 nan 4.420 nan 0.000 0.272 294 P C -1.247 176.049 177.300 -0.006 0.000 1.223 294 P CA -0.350 62.773 63.100 0.039 0.000 0.784 294 P CB 0.634 32.349 31.700 0.025 0.000 0.923 295 L N 1.991 123.203 121.223 -0.018 0.000 2.305 295 L HA 0.296 4.636 4.340 -0.001 0.000 0.281 295 L C 1.049 177.877 176.870 -0.069 0.000 1.085 295 L CA 0.154 54.937 54.840 -0.095 0.000 0.813 295 L CB -0.185 41.808 42.059 -0.110 0.000 1.157 295 L HN 0.343 nan 8.230 nan 0.000 0.436 296 T N 1.869 116.370 114.554 -0.089 0.000 2.910 296 T HA 0.134 4.483 4.350 -0.001 0.000 0.293 296 T C 1.415 176.080 174.700 -0.058 0.000 1.015 296 T CA -0.476 61.587 62.100 -0.062 0.000 1.094 296 T CB 1.216 70.046 68.868 -0.063 0.000 0.968 296 T HN 0.697 nan 8.240 nan 0.000 0.521 297 E N 2.581 122.758 120.200 -0.039 0.000 2.068 297 E HA -0.326 4.023 4.350 -0.001 0.000 0.207 297 E C 1.472 178.047 176.600 -0.042 0.000 1.032 297 E CA 1.908 58.288 56.400 -0.034 0.000 0.839 297 E CB -0.310 29.376 29.700 -0.024 0.000 0.758 297 E HN 0.794 nan 8.360 nan 0.000 0.457 298 E N 1.295 121.469 120.200 -0.044 0.000 2.013 298 E HA -0.267 4.082 4.350 -0.001 0.000 0.202 298 E C 2.336 178.897 176.600 -0.064 0.000 1.018 298 E CA 1.319 57.690 56.400 -0.047 0.000 0.834 298 E CB -0.390 29.283 29.700 -0.045 0.000 0.770 298 E HN 0.439 nan 8.360 nan 0.000 0.459 299 A N 1.782 124.552 122.820 -0.084 0.000 1.892 299 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 299 A C 2.063 179.573 177.584 -0.124 0.000 1.188 299 A CA 1.687 53.652 52.037 -0.120 0.000 0.631 299 A CB -0.594 18.308 19.000 -0.164 0.000 0.822 299 A HN 0.157 nan 8.150 nan 0.000 0.447 300 E N -0.767 119.367 120.200 -0.109 0.000 2.147 300 E HA -0.233 4.116 4.350 -0.001 0.000 0.199 300 E C 1.909 178.473 176.600 -0.060 0.000 1.005 300 E CA 1.521 57.870 56.400 -0.085 0.000 0.810 300 E CB -0.432 29.236 29.700 -0.054 0.000 0.736 300 E HN 0.549 nan 8.360 nan 0.000 0.460 301 L N 1.318 122.509 121.223 -0.053 0.000 2.095 301 L HA -0.065 4.274 4.340 -0.001 0.000 0.204 301 L C 2.013 178.856 176.870 -0.045 0.000 1.080 301 L CA 1.543 56.359 54.840 -0.040 0.000 0.759 301 L CB -0.317 41.722 42.059 -0.033 0.000 0.914 301 L HN -0.005 nan 8.230 nan 0.000 0.439 302 E N 0.015 120.180 120.200 -0.058 0.000 2.013 302 E HA -0.273 4.076 4.350 -0.001 0.000 0.202 302 E C 2.165 178.730 176.600 -0.059 0.000 1.018 302 E CA 2.195 58.560 56.400 -0.059 0.000 0.834 302 E CB -0.567 29.089 29.700 -0.072 0.000 0.770 302 E HN 0.655 nan 8.360 nan 0.000 0.459 303 L N -1.220 119.958 121.223 -0.075 0.000 2.265 303 L HA -0.006 4.333 4.340 -0.001 0.000 0.215 303 L C 2.388 179.238 176.870 -0.034 0.000 1.117 303 L CA 1.326 56.130 54.840 -0.061 0.000 0.782 303 L CB -0.532 41.477 42.059 -0.084 0.000 0.914 303 L HN -0.012 nan 8.230 nan 0.000 0.441 304 A N 1.055 123.856 122.820 -0.032 0.000 1.877 304 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 304 A C 2.171 179.742 177.584 -0.021 0.000 1.186 304 A CA 1.888 53.914 52.037 -0.017 0.000 0.620 304 A CB -0.541 18.450 19.000 -0.015 0.000 0.822 304 A HN 0.624 nan 8.150 nan 0.000 0.443 305 E N -0.364 119.819 120.200 -0.027 0.000 2.158 305 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 305 E C 1.792 178.371 176.600 -0.036 0.000 0.982 305 E CA 0.965 57.349 56.400 -0.027 0.000 0.823 305 E CB -0.220 29.465 29.700 -0.025 0.000 0.766 305 E HN 0.735 nan 8.360 nan 0.000 0.468 306 N N 0.600 119.273 118.700 -0.045 0.000 2.142 306 N HA -0.093 4.646 4.740 -0.001 0.000 0.186 306 N C 1.827 177.289 175.510 -0.080 0.000 1.023 306 N CA 0.526 53.537 53.050 -0.065 0.000 0.852 306 N CB 0.070 38.519 38.487 -0.064 0.000 0.998 306 N HN 0.004 nan 8.380 nan 0.000 0.424 307 R N 1.082 121.551 120.500 -0.051 0.000 2.091 307 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 307 R C 2.053 178.327 176.300 -0.044 0.000 1.136 307 R CA 1.034 57.109 56.100 -0.041 0.000 0.959 307 R CB -0.203 30.091 30.300 -0.010 0.000 0.856 307 R HN 0.382 nan 8.270 nan 0.000 0.437 308 E N 0.843 121.024 120.200 -0.033 0.000 2.118 308 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 308 E C 1.883 178.464 176.600 -0.033 0.000 0.992 308 E CA 1.203 57.589 56.400 -0.023 0.000 0.804 308 E CB 0.008 29.699 29.700 -0.016 0.000 0.741 308 E HN 0.351 nan 8.360 nan 0.000 0.458 309 I N 0.492 121.028 120.570 -0.056 0.000 2.277 309 I HA -0.226 3.943 4.170 -0.001 0.000 0.243 309 I C 2.145 178.170 176.117 -0.154 0.000 1.094 309 I CA 0.295 61.555 61.300 -0.067 0.000 1.393 309 I CB -0.143 37.815 38.000 -0.069 0.000 1.078 309 I HN 0.179 nan 8.210 nan 0.000 0.417 310 L N 1.134 122.202 121.223 -0.259 0.000 2.353 310 L HA -0.168 4.171 4.340 -0.001 0.000 0.220 310 L C 2.353 179.134 176.870 -0.149 0.000 1.133 310 L CA 1.565 56.159 54.840 -0.410 0.000 0.798 310 L CB -1.318 40.555 42.059 -0.309 0.000 0.922 310 L HN 0.301 nan 8.230 nan 0.000 0.445 311 K N -0.349 120.015 120.400 -0.059 0.000 2.148 311 K HA -0.101 4.218 4.320 -0.001 0.000 0.204 311 K C 0.525 177.154 176.600 0.047 0.000 1.050 311 K CA 0.739 57.029 56.287 0.005 0.000 0.942 311 K CB 0.408 32.911 32.500 0.006 0.000 0.724 311 K HN 0.212 nan 8.250 nan 0.000 0.446 312 E N 1.255 121.492 120.200 0.062 0.000 2.280 312 E HA 0.235 4.584 4.350 -0.001 0.000 0.261 312 E C -2.293 174.410 176.600 0.170 0.000 1.088 312 E CA -2.372 54.086 56.400 0.096 0.000 0.915 312 E CB 0.364 30.109 29.700 0.075 0.000 1.141 312 E HN 0.186 nan 8.360 nan 0.000 0.433 313 P HA 0.065 nan 4.420 nan 0.000 0.272 313 P C -0.208 177.165 177.300 0.123 0.000 1.230 313 P CA -0.289 62.886 63.100 0.124 0.000 0.788 313 P CB 0.445 32.187 31.700 0.071 0.000 0.949 314 V N 2.787 122.717 119.914 0.027 0.000 2.485 314 V HA -0.047 4.072 4.120 -0.001 0.000 0.287 314 V C 0.994 177.071 176.094 -0.028 0.000 1.022 314 V CA 0.079 62.319 62.300 -0.099 0.000 1.067 314 V CB -1.144 30.491 31.823 -0.314 0.000 0.967 314 V HN 0.587 nan 8.190 nan 0.000 0.479 315 H N 4.031 123.060 119.070 -0.069 0.000 2.975 315 H HA 0.431 4.986 4.556 -0.001 0.000 0.303 315 H C 1.033 176.310 175.328 -0.084 0.000 1.023 315 H CA 0.535 56.551 56.048 -0.053 0.000 1.473 315 H CB 0.477 30.244 29.762 0.009 0.000 1.498 315 H HN 0.917 nan 8.280 nan 0.000 0.549 316 G N 3.329 112.033 108.800 -0.160 0.000 2.184 316 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.206 316 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.206 316 G C -0.569 174.239 174.900 -0.153 0.000 0.995 316 G CA 0.069 45.058 45.100 -0.185 0.000 0.651 316 G HN 0.662 nan 8.290 nan 0.000 0.511 317 V N 1.316 121.003 119.914 -0.378 0.000 2.384 317 V HA 0.748 4.867 4.120 -0.001 0.000 0.287 317 V C -0.477 175.283 176.094 -0.558 0.000 1.020 317 V CA -0.720 61.397 62.300 -0.305 0.000 0.850 317 V CB 0.944 32.649 31.823 -0.196 0.000 0.987 317 V HN 0.268 nan 8.190 nan 0.000 0.436 318 Y N 2.740 123.067 120.300 0.046 0.000 2.512 318 Y HA 0.472 5.021 4.550 -0.001 0.000 0.348 318 Y C -0.351 175.602 175.900 0.087 0.000 0.990 318 Y CA -1.106 57.048 58.100 0.090 0.000 1.033 318 Y CB 1.697 40.197 38.460 0.066 0.000 1.259 318 Y HN 0.638 nan 8.280 nan 0.000 0.461 319 Y N 2.755 123.160 120.300 0.174 0.000 2.526 319 Y HA 0.200 4.749 4.550 -0.002 0.000 0.330 319 Y C -0.342 175.581 175.900 0.038 0.000 1.156 319 Y CA -0.290 57.832 58.100 0.037 0.000 1.419 319 Y CB 0.471 38.983 38.460 0.086 0.000 1.250 319 Y HN 0.565 nan 8.280 nan 0.000 0.540 320 D N 8.897 128.853 120.400 -0.740 0.000 2.414 320 D HA 0.271 4.910 4.640 -0.001 0.000 0.232 320 D C -2.129 173.574 176.300 -0.995 0.000 1.070 320 D CA -2.695 50.925 54.000 -0.635 0.000 0.839 320 D CB 1.854 42.465 40.800 -0.315 0.000 1.079 320 D HN 0.364 nan 8.370 nan 0.000 0.521 321 P HA -0.087 nan 4.420 nan 0.000 0.230 321 P C 0.850 178.029 177.300 -0.202 0.000 1.158 321 P CA 0.560 63.413 63.100 -0.411 0.000 0.769 321 P CB 0.149 31.839 31.700 -0.016 0.000 0.807 322 S N -2.523 113.049 115.700 -0.214 0.000 2.575 322 S HA 0.168 4.637 4.470 -0.001 0.000 0.215 322 S C 0.715 175.236 174.600 -0.133 0.000 0.966 322 S CA -0.087 58.033 58.200 -0.132 0.000 0.911 322 S CB -0.329 62.805 63.200 -0.110 0.000 0.780 322 S HN -0.021 nan 8.310 nan 0.000 0.514 323 K N 1.894 122.178 120.400 -0.194 0.000 2.203 323 K HA 0.445 4.764 4.320 -0.001 0.000 0.251 323 K C -0.993 175.527 176.600 -0.133 0.000 0.944 323 K CA -0.666 55.528 56.287 -0.156 0.000 0.829 323 K CB 0.922 33.316 32.500 -0.177 0.000 1.125 323 K HN 0.063 nan 8.250 nan 0.000 0.430 324 D N 1.748 122.092 120.400 -0.093 0.000 2.399 324 D HA 0.058 4.697 4.640 -0.001 0.000 0.241 324 D C -0.092 176.117 176.300 -0.151 0.000 1.133 324 D CA 0.186 54.133 54.000 -0.089 0.000 0.890 324 D CB 0.623 41.382 40.800 -0.070 0.000 1.201 324 D HN 0.247 nan 8.370 nan 0.000 0.432 325 L N 2.140 123.250 121.223 -0.188 0.000 2.312 325 L HA 0.409 4.748 4.340 -0.001 0.000 0.281 325 L C 0.295 176.943 176.870 -0.371 0.000 1.070 325 L CA -0.514 54.136 54.840 -0.317 0.000 0.805 325 L CB 0.804 42.632 42.059 -0.385 0.000 1.174 325 L HN 0.144 nan 8.230 nan 0.000 0.434 326 I N 2.186 122.445 120.570 -0.519 0.000 2.530 326 I HA 0.615 4.784 4.170 -0.001 0.000 0.297 326 I C -0.181 175.471 176.117 -0.775 0.000 1.011 326 I CA -0.515 60.404 61.300 -0.635 0.000 1.107 326 I CB 2.055 39.608 38.000 -0.744 0.000 1.285 326 I HN 0.609 nan 8.210 nan 0.000 0.436 327 A N 5.261 127.659 122.820 -0.703 0.000 2.330 327 A HA 0.631 4.950 4.320 -0.001 0.000 0.313 327 A C -0.761 176.647 177.584 -0.294 0.000 1.124 327 A CA -0.535 51.150 52.037 -0.587 0.000 0.774 327 A CB 0.880 19.296 19.000 -0.973 0.000 1.198 327 A HN 0.737 nan 8.150 nan 0.000 0.465 328 E N 1.675 121.828 120.200 -0.078 0.000 2.179 328 E HA 0.580 4.929 4.350 -0.001 0.000 0.275 328 E C -1.051 175.633 176.600 0.139 0.000 0.945 328 E CA -0.377 56.069 56.400 0.077 0.000 0.792 328 E CB 1.956 31.765 29.700 0.183 0.000 1.125 328 E HN 0.621 nan 8.360 nan 0.000 0.397 329 I N 2.445 123.117 120.570 0.171 0.000 2.509 329 I HA 0.225 4.394 4.170 -0.001 0.000 0.293 329 I C -0.753 175.507 176.117 0.238 0.000 1.020 329 I CA -0.896 60.549 61.300 0.242 0.000 1.088 329 I CB 1.866 40.014 38.000 0.248 0.000 1.267 329 I HN 0.342 nan 8.210 nan 0.000 0.430 330 Q N 4.602 124.553 119.800 0.252 0.000 2.340 330 Q HA 0.350 4.689 4.340 -0.001 0.000 0.268 330 Q C -0.657 175.431 176.000 0.148 0.000 1.031 330 Q CA -0.749 55.158 55.803 0.174 0.000 0.804 330 Q CB 2.356 31.147 28.738 0.088 0.000 1.286 330 Q HN 0.324 nan 8.270 nan 0.000 0.448 331 K N 2.064 122.440 120.400 -0.039 0.000 2.349 331 K HA 0.045 4.364 4.320 -0.001 0.000 0.289 331 K C 0.027 176.367 176.600 -0.433 0.000 1.064 331 K CA 0.108 56.019 56.287 -0.627 0.000 0.947 331 K CB 0.625 32.765 32.500 -0.601 0.000 1.007 331 K HN 0.572 nan 8.250 nan 0.000 0.478 332 Q N 2.374 121.878 119.800 -0.493 0.000 2.352 332 Q HA 0.154 4.494 4.340 -0.001 0.000 0.212 332 Q C 0.443 176.281 176.000 -0.269 0.000 0.888 332 Q CA 0.572 56.210 55.803 -0.275 0.000 0.934 332 Q CB 1.114 29.753 28.738 -0.164 0.000 1.093 332 Q HN 1.008 nan 8.270 nan 0.000 0.523 333 G N 1.047 109.621 108.800 -0.376 0.000 2.619 333 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.686 333 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.686 333 G C -0.642 174.142 174.900 -0.194 0.000 1.256 333 G CA -0.383 44.566 45.100 -0.251 0.000 0.826 333 G HN 0.192 nan 8.290 nan 0.000 0.619 334 Q N -1.348 118.380 119.800 -0.120 0.000 2.435 334 Q HA -0.141 4.199 4.340 -0.001 0.000 0.286 334 Q C 1.574 177.547 176.000 -0.045 0.000 1.229 334 Q CA 2.123 57.886 55.803 -0.067 0.000 0.884 334 Q CB -1.633 27.070 28.738 -0.057 0.000 1.245 334 Q HN 2.851 nan 8.270 nan 0.000 0.488 335 G N -0.410 108.366 108.800 -0.041 0.000 2.160 335 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.251 335 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.251 335 G C -0.130 174.840 174.900 0.117 0.000 1.008 335 G CA 0.639 45.802 45.100 0.104 0.000 0.724 335 G HN 0.427 nan 8.290 nan 0.000 0.514 336 Q N -1.538 118.189 119.800 -0.122 0.000 2.309 336 Q HA 0.673 5.013 4.340 -0.001 0.000 0.264 336 Q C -0.942 174.893 176.000 -0.275 0.000 1.008 336 Q CA -0.721 55.058 55.803 -0.041 0.000 0.853 336 Q CB 1.537 30.245 28.738 -0.051 0.000 1.314 336 Q HN 0.349 nan 8.270 nan 0.000 0.448 337 W N 0.785 122.173 121.300 0.147 0.000 3.097 337 W HA 0.359 5.018 4.660 -0.002 0.000 0.335 337 W C -0.502 176.124 176.519 0.178 0.000 1.114 337 W CA -0.556 56.893 57.345 0.173 0.000 1.231 337 W CB 1.861 31.465 29.460 0.239 0.000 1.388 337 W HN 0.482 nan 8.180 nan 0.000 0.485 338 T N -0.021 114.716 114.554 0.305 0.000 2.895 338 T HA 0.821 5.170 4.350 -0.001 0.000 0.283 338 T C -1.083 173.733 174.700 0.194 0.000 1.014 338 T CA -0.643 61.551 62.100 0.157 0.000 1.037 338 T CB 1.661 70.552 68.868 0.037 0.000 1.006 338 T HN 0.434 nan 8.240 nan 0.000 0.468 339 Y N -0.576 119.723 120.300 -0.001 0.000 2.571 339 Y HA 0.801 5.351 4.550 -0.001 0.000 0.341 339 Y C -1.391 174.436 175.900 -0.121 0.000 1.076 339 Y CA -1.449 56.631 58.100 -0.034 0.000 1.029 339 Y CB 1.464 39.953 38.460 0.049 0.000 1.308 339 Y HN 0.594 nan 8.280 nan 0.000 0.461 340 Q N 2.510 122.347 119.800 0.061 0.000 2.397 340 Q HA 0.688 5.027 4.340 -0.001 0.000 0.275 340 Q C -1.468 174.605 176.000 0.120 0.000 1.090 340 Q CA -0.631 55.197 55.803 0.041 0.000 0.809 340 Q CB 3.272 32.000 28.738 -0.017 0.000 1.362 340 Q HN 0.770 nan 8.270 nan 0.000 0.431 341 I N 3.220 123.859 120.570 0.116 0.000 2.389 341 I HA 0.526 4.695 4.170 -0.001 0.000 0.288 341 I C -1.079 175.018 176.117 -0.033 0.000 0.999 341 I CA -0.968 60.296 61.300 -0.061 0.000 1.129 341 I CB 0.575 38.592 38.000 0.028 0.000 1.288 341 I HN 0.668 nan 8.210 nan 0.000 0.444 342 Y N 3.072 123.304 120.300 -0.114 0.000 2.677 342 Y HA 0.517 5.066 4.550 -0.001 0.000 0.334 342 Y C 0.031 175.848 175.900 -0.138 0.000 1.154 342 Y CA -0.905 57.132 58.100 -0.105 0.000 1.070 342 Y CB 1.148 39.582 38.460 -0.044 0.000 1.294 342 Y HN 0.395 nan 8.280 nan 0.000 0.475 343 Q N -0.233 119.638 119.800 0.119 0.000 2.471 343 Q HA 0.255 4.595 4.340 -0.001 0.000 0.241 343 Q C -0.679 175.432 176.000 0.185 0.000 0.886 343 Q CA 0.259 56.081 55.803 0.031 0.000 0.953 343 Q CB 1.130 29.822 28.738 -0.078 0.000 1.108 343 Q HN 0.641 nan 8.270 nan 0.000 0.575 344 E N 1.880 122.207 120.200 0.213 0.000 2.176 344 E HA 0.325 4.674 4.350 -0.001 0.000 0.267 344 E C -2.623 174.005 176.600 0.047 0.000 0.893 344 E CA -2.253 54.229 56.400 0.138 0.000 0.761 344 E CB 1.885 31.609 29.700 0.039 0.000 1.133 344 E HN -0.066 nan 8.360 nan 0.000 0.409 345 P HA -0.073 nan 4.420 nan 0.000 0.264 345 P C -0.301 176.994 177.300 -0.008 0.000 1.183 345 P CA 0.503 63.363 63.100 -0.401 0.000 0.763 345 P CB 0.090 31.791 31.700 0.001 0.000 0.807 346 F N -0.175 119.456 119.950 -0.531 0.000 2.496 346 F HA -0.245 4.281 4.527 -0.001 0.000 0.523 346 F C 0.793 176.451 175.800 -0.236 0.000 0.526 346 F CA 1.129 58.964 58.000 -0.276 0.000 1.272 346 F CB -1.675 37.175 39.000 -0.250 0.000 1.968 346 F HN 0.334 nan 8.300 nan 0.000 0.263 347 K N 2.047 122.422 120.400 -0.042 0.000 2.155 347 K HA 0.186 4.505 4.320 -0.001 0.000 0.240 347 K C -0.268 176.341 176.600 0.016 0.000 1.193 347 K CA -0.066 56.194 56.287 -0.045 0.000 1.104 347 K CB -0.500 31.986 32.500 -0.023 0.000 1.558 347 K HN 0.337 nan 8.250 nan 0.000 0.313 348 N N 2.498 121.194 118.700 -0.007 0.000 2.438 348 N HA -0.004 4.735 4.740 -0.001 0.000 0.267 348 N C 0.869 176.420 175.510 0.069 0.000 1.222 348 N CA -0.239 52.859 53.050 0.081 0.000 0.930 348 N CB 0.682 39.220 38.487 0.085 0.000 1.083 348 N HN 0.285 nan 8.380 nan 0.000 0.476 349 L N 1.950 123.240 121.223 0.113 0.000 2.179 349 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 349 L C 0.842 177.865 176.870 0.255 0.000 1.096 349 L CA 0.900 55.843 54.840 0.172 0.000 0.779 349 L CB -0.065 42.087 42.059 0.155 0.000 0.922 349 L HN 0.561 nan 8.230 nan 0.000 0.443 350 K N -0.441 120.100 120.400 0.235 0.000 2.578 350 K HA 0.321 4.641 4.320 -0.001 0.000 0.269 350 K C -1.104 175.571 176.600 0.124 0.000 0.941 350 K CA -0.505 55.912 56.287 0.217 0.000 0.847 350 K CB 1.870 34.564 32.500 0.322 0.000 1.397 350 K HN -0.070 nan 8.250 nan 0.000 0.422 351 T N -0.480 114.087 114.554 0.022 0.000 2.906 351 T HA 0.922 5.271 4.350 -0.001 0.000 0.295 351 T C -0.076 174.391 174.700 -0.388 0.000 1.075 351 T CA -0.410 61.582 62.100 -0.181 0.000 1.005 351 T CB 1.926 70.758 68.868 -0.061 0.000 1.136 351 T HN 0.778 nan 8.240 nan 0.000 0.498 352 G N 0.694 108.955 108.800 -0.898 0.000 2.548 352 G HA2 0.673 4.632 3.960 -0.001 0.000 0.301 352 G HA3 0.673 4.632 3.960 -0.001 0.000 0.301 352 G C -2.064 172.436 174.900 -0.667 0.000 1.349 352 G CA -1.110 43.477 45.100 -0.854 0.000 0.792 352 G HN 0.971 nan 8.290 nan 0.000 0.481 353 K N -1.479 118.848 120.400 -0.121 0.000 2.509 353 K HA 0.795 5.114 4.320 -0.001 0.000 0.266 353 K C -1.791 175.044 176.600 0.391 0.000 0.987 353 K CA -1.134 55.251 56.287 0.164 0.000 0.868 353 K CB 2.001 34.560 32.500 0.098 0.000 1.421 353 K HN 0.803 nan 8.250 nan 0.000 0.444 354 Y N 0.059 120.538 120.300 0.299 0.000 2.492 354 Y HA 0.760 5.309 4.550 -0.002 0.000 0.346 354 Y C -1.631 174.429 175.900 0.267 0.000 0.997 354 Y CA -0.552 57.696 58.100 0.245 0.000 1.025 354 Y CB 2.117 40.695 38.460 0.197 0.000 1.263 354 Y HN 1.054 nan 8.280 nan 0.000 0.454 355 A N 4.459 126.959 122.820 -0.533 0.000 2.594 355 A HA 0.904 5.223 4.320 -0.001 0.000 0.291 355 A C -0.722 176.620 177.584 -0.403 0.000 1.105 355 A CA -0.380 51.499 52.037 -0.264 0.000 0.694 355 A CB 1.666 20.610 19.000 -0.092 0.000 1.291 355 A HN 1.128 nan 8.150 nan 0.000 0.410 363 N N 1.643 120.325 118.700 -0.032 0.000 2.425 363 N HA 0.279 5.018 4.740 -0.001 0.000 0.268 363 N C 0.355 175.846 175.510 -0.032 0.000 0.991 363 N CA -0.376 52.626 53.050 -0.081 0.000 0.931 363 N CB 1.723 40.096 38.487 -0.190 0.000 1.130 363 N HN 0.344 nan 8.380 nan 0.000 0.493 364 D N 2.851 123.284 120.400 0.055 0.000 2.123 364 D HA -0.124 4.515 4.640 -0.001 0.000 0.196 364 D C 1.685 178.047 176.300 0.105 0.000 0.992 364 D CA 1.202 55.338 54.000 0.226 0.000 0.833 364 D CB 0.287 41.240 40.800 0.255 0.000 0.954 364 D HN 0.380 nan 8.370 nan 0.000 0.455 365 V N 0.655 120.567 119.914 -0.004 0.000 2.453 365 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 365 V C 2.374 178.346 176.094 -0.203 0.000 1.048 365 V CA 1.365 63.669 62.300 0.007 0.000 1.049 365 V CB -0.364 31.503 31.823 0.075 0.000 0.672 365 V HN 0.187 nan 8.190 nan 0.000 0.457 366 K N 0.028 120.097 120.400 -0.552 0.000 2.026 366 K HA -0.247 4.072 4.320 -0.001 0.000 0.208 366 K C 2.232 178.594 176.600 -0.395 0.000 1.048 366 K CA 1.828 57.589 56.287 -0.876 0.000 0.929 366 K CB -0.120 31.744 32.500 -1.060 0.000 0.713 366 K HN 0.499 nan 8.250 nan 0.000 0.439 367 Q N 0.638 120.275 119.800 -0.271 0.000 2.084 367 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 367 Q C 2.236 177.839 176.000 -0.661 0.000 0.978 367 Q CA 1.381 57.024 55.803 -0.266 0.000 0.844 367 Q CB -0.079 28.675 28.738 0.026 0.000 0.898 367 Q HN 0.357 nan 8.270 nan 0.000 0.426 368 L N 0.153 120.943 121.223 -0.721 0.000 2.017 368 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 368 L C 2.246 178.945 176.870 -0.284 0.000 1.073 368 L CA 1.420 55.830 54.840 -0.716 0.000 0.745 368 L CB -0.430 41.438 42.059 -0.318 0.000 0.894 368 L HN 0.314 nan 8.230 nan 0.000 0.432 369 T N -0.347 114.189 114.554 -0.030 0.000 2.699 369 T HA -0.250 4.099 4.350 -0.001 0.000 0.268 369 T C 1.617 176.245 174.700 -0.119 0.000 1.036 369 T CA 1.869 64.052 62.100 0.138 0.000 1.147 369 T CB -0.102 68.859 68.868 0.155 0.000 0.862 369 T HN 0.445 nan 8.240 nan 0.000 0.446 370 E N 0.516 120.531 120.200 -0.309 0.000 2.072 370 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 370 E C 2.525 178.734 176.600 -0.653 0.000 0.985 370 E CA 0.908 57.049 56.400 -0.431 0.000 0.801 370 E CB -0.187 29.284 29.700 -0.382 0.000 0.750 370 E HN 0.467 nan 8.360 nan 0.000 0.452 371 A N 0.949 123.241 122.820 -0.880 0.000 1.902 371 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 371 A C 2.499 179.810 177.584 -0.454 0.000 1.181 371 A CA 1.158 52.688 52.037 -0.847 0.000 0.623 371 A CB -0.686 17.874 19.000 -0.734 0.000 0.818 371 A HN 0.117 nan 8.150 nan 0.000 0.443 372 V N -0.069 119.621 119.914 -0.374 0.000 2.332 372 V HA -0.341 3.778 4.120 -0.001 0.000 0.248 372 V C 2.638 178.616 176.094 -0.193 0.000 1.055 372 V CA 2.368 64.419 62.300 -0.413 0.000 1.038 372 V CB -0.945 30.621 31.823 -0.428 0.000 0.651 372 V HN 0.655 nan 8.190 nan 0.000 0.450 373 Q N -0.411 119.290 119.800 -0.166 0.000 2.083 373 Q HA -0.175 4.165 4.340 -0.001 0.000 0.198 373 Q C 2.473 178.518 176.000 0.075 0.000 0.969 373 Q CA 1.284 57.083 55.803 -0.007 0.000 0.838 373 Q CB -0.275 28.253 28.738 -0.349 0.000 0.900 373 Q HN 0.467 nan 8.270 nan 0.000 0.436 374 K N 1.362 121.706 120.400 -0.092 0.000 2.009 374 K HA -0.189 4.130 4.320 -0.001 0.000 0.210 374 K C 1.902 178.422 176.600 -0.135 0.000 1.049 374 K CA 1.465 57.707 56.287 -0.076 0.000 0.929 374 K CB -0.291 32.134 32.500 -0.126 0.000 0.714 374 K HN 0.214 nan 8.250 nan 0.000 0.440 375 I N 0.916 121.360 120.570 -0.210 0.000 2.286 375 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 375 I C 2.241 178.325 176.117 -0.055 0.000 1.115 375 I CA 1.426 62.573 61.300 -0.256 0.000 1.392 375 I CB -0.348 37.473 38.000 -0.298 0.000 1.065 375 I HN 0.206 nan 8.210 nan 0.000 0.418 376 T N -0.184 114.420 114.554 0.083 0.000 2.777 376 T HA -0.154 4.195 4.350 -0.001 0.000 0.266 376 T C 1.926 176.500 174.700 -0.210 0.000 1.040 376 T CA 1.951 64.021 62.100 -0.049 0.000 1.141 376 T CB -0.337 68.418 68.868 -0.188 0.000 0.868 376 T HN 0.363 nan 8.240 nan 0.000 0.444 377 T N 2.082 116.622 114.554 -0.025 0.000 2.708 377 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 377 T C 1.948 176.632 174.700 -0.027 0.000 1.037 377 T CA 1.279 63.440 62.100 0.101 0.000 1.146 377 T CB -0.278 68.780 68.868 0.315 0.000 0.865 377 T HN 0.535 nan 8.240 nan 0.000 0.435 378 E N 0.748 120.841 120.200 -0.178 0.000 2.077 378 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 378 E C 2.470 178.942 176.600 -0.214 0.000 0.989 378 E CA 1.128 57.322 56.400 -0.345 0.000 0.800 378 E CB -0.179 29.094 29.700 -0.712 0.000 0.746 378 E HN 0.331 nan 8.360 nan 0.000 0.452 379 S N 0.483 116.089 115.700 -0.158 0.000 2.382 379 S HA -0.129 4.340 4.470 -0.001 0.000 0.228 379 S C 1.972 176.470 174.600 -0.169 0.000 1.027 379 S CA 0.775 58.965 58.200 -0.018 0.000 0.991 379 S CB -0.178 63.063 63.200 0.068 0.000 0.823 379 S HN 0.184 nan 8.310 nan 0.000 0.469 380 I N 0.905 121.287 120.570 -0.313 0.000 2.226 380 I HA -0.123 4.046 4.170 -0.001 0.000 0.245 380 I C 2.285 178.164 176.117 -0.396 0.000 1.100 380 I CA 1.026 62.025 61.300 -0.502 0.000 1.374 380 I CB -0.461 37.132 38.000 -0.678 0.000 1.057 380 I HN 0.213 nan 8.210 nan 0.000 0.413 381 V N 1.153 120.901 119.914 -0.277 0.000 2.358 381 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 381 V C 2.252 178.265 176.094 -0.135 0.000 1.047 381 V CA 1.786 63.987 62.300 -0.166 0.000 1.035 381 V CB -0.280 31.584 31.823 0.067 0.000 0.658 381 V HN 0.319 nan 8.190 nan 0.000 0.452 382 I N -1.744 118.625 120.570 -0.334 0.000 2.277 382 I HA -0.157 4.012 4.170 -0.001 0.000 0.243 382 I C 2.013 177.646 176.117 -0.806 0.000 1.094 382 I CA 1.521 62.419 61.300 -0.670 0.000 1.393 382 I CB -0.180 37.036 38.000 -1.307 0.000 1.078 382 I HN 0.397 nan 8.210 nan 0.000 0.417 383 W N -0.001 120.944 121.300 -0.592 0.000 2.725 383 W HA 0.374 5.033 4.660 -0.002 0.000 0.336 383 W C 1.286 177.070 176.519 -1.225 0.000 1.012 383 W CA 0.520 57.309 57.345 -0.926 0.000 1.566 383 W CB -0.226 28.730 29.460 -0.840 0.000 1.068 383 W HN 0.259 nan 8.180 nan 0.000 0.546 384 G N 2.483 110.666 108.800 -1.029 0.000 2.221 384 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.265 384 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.265 384 G C -0.007 174.812 174.900 -0.136 0.000 1.041 384 G CA 0.813 45.611 45.100 -0.505 0.000 0.807 384 G HN 0.217 nan 8.290 nan 0.000 0.502 385 K N -0.690 119.594 120.400 -0.194 0.000 2.527 385 K HA 0.561 4.880 4.320 -0.001 0.000 0.260 385 K C -0.593 175.924 176.600 -0.138 0.000 0.937 385 K CA -0.618 55.646 56.287 -0.039 0.000 0.826 385 K CB 1.489 34.014 32.500 0.041 0.000 1.359 385 K HN 0.061 nan 8.250 nan 0.000 0.434 386 T N 3.931 118.439 114.554 -0.076 0.000 2.829 386 T HA 0.421 4.770 4.350 -0.001 0.000 0.282 386 T C -2.469 172.177 174.700 -0.090 0.000 0.990 386 T CA -1.315 60.715 62.100 -0.115 0.000 1.028 386 T CB 1.400 70.225 68.868 -0.072 0.000 0.951 386 T HN 0.385 nan 8.240 nan 0.000 0.460 387 P HA 0.339 nan 4.420 nan 0.000 0.279 387 P C -0.861 176.286 177.300 -0.254 0.000 1.252 387 P CA -0.833 62.073 63.100 -0.324 0.000 0.811 387 P CB 0.935 32.270 31.700 -0.609 0.000 1.035 388 K N 1.580 121.829 120.400 -0.251 0.000 2.276 388 K HA 0.334 4.653 4.320 -0.001 0.000 0.285 388 K C -1.006 175.461 176.600 -0.222 0.000 1.062 388 K CA -0.341 55.868 56.287 -0.131 0.000 0.918 388 K CB -0.094 32.348 32.500 -0.096 0.000 1.055 388 K HN 0.174 nan 8.250 nan 0.000 0.477 389 F N 3.449 123.345 119.950 -0.091 0.000 2.394 389 F HA 0.275 4.801 4.527 -0.001 0.000 0.340 389 F C 0.537 176.251 175.800 -0.144 0.000 1.105 389 F CA -0.428 57.504 58.000 -0.112 0.000 1.124 389 F CB 1.219 40.161 39.000 -0.096 0.000 1.145 389 F HN 0.239 nan 8.300 nan 0.000 0.505 390 K N 5.916 126.324 120.400 0.013 0.000 2.266 390 K HA 0.356 4.675 4.320 -0.001 0.000 0.274 390 K C -0.809 175.780 176.600 -0.017 0.000 1.090 390 K CA -0.146 56.134 56.287 -0.011 0.000 0.925 390 K CB 0.911 33.434 32.500 0.037 0.000 1.225 390 K HN 0.586 nan 8.250 nan 0.000 0.458 391 L N 5.322 126.453 121.223 -0.153 0.000 2.264 391 L HA 0.246 4.585 4.340 -0.001 0.000 0.289 391 L C -1.734 175.142 176.870 0.010 0.000 1.044 391 L CA -1.980 52.752 54.840 -0.180 0.000 0.807 391 L CB 1.204 42.910 42.059 -0.588 0.000 1.192 391 L HN 0.221 nan 8.230 nan 0.000 0.425 392 P HA 0.223 nan 4.420 nan 0.000 0.230 392 P C -0.505 176.904 177.300 0.182 0.000 1.791 392 P CA 0.455 63.646 63.100 0.151 0.000 1.020 392 P CB 0.505 32.316 31.700 0.186 0.000 1.977 393 I N -0.909 119.777 120.570 0.193 0.000 3.176 393 I HA 0.240 4.409 4.170 -0.001 0.000 0.311 393 I C -1.373 174.837 176.117 0.156 0.000 1.373 393 I CA -1.239 60.183 61.300 0.203 0.000 0.938 393 I CB 2.809 40.969 38.000 0.266 0.000 1.322 393 I HN -0.113 nan 8.210 nan 0.000 0.499 394 Q N 3.537 123.391 119.800 0.090 0.000 2.286 394 Q HA 0.160 4.499 4.340 -0.001 0.000 0.257 394 Q C 0.617 176.462 176.000 -0.260 0.000 0.941 394 Q CA -0.149 55.633 55.803 -0.035 0.000 0.912 394 Q CB 1.610 30.358 28.738 0.018 0.000 1.192 394 Q HN 0.628 nan 8.270 nan 0.000 0.410 395 K N 3.316 123.327 120.400 -0.648 0.000 2.052 395 K HA -0.295 4.024 4.320 -0.001 0.000 0.215 395 K C 1.019 177.348 176.600 -0.452 0.000 1.053 395 K CA 2.449 57.983 56.287 -1.256 0.000 0.934 395 K CB 0.214 32.243 32.500 -0.785 0.000 0.717 395 K HN 0.652 nan 8.250 nan 0.000 0.450 396 E N -0.387 119.700 120.200 -0.189 0.000 2.072 396 E HA -0.101 4.249 4.350 -0.001 0.000 0.191 396 E C 1.994 178.637 176.600 0.072 0.000 0.985 396 E CA 1.784 58.160 56.400 -0.041 0.000 0.801 396 E CB -0.219 29.468 29.700 -0.022 0.000 0.750 396 E HN 0.342 nan 8.360 nan 0.000 0.452 397 T N 0.591 115.219 114.554 0.124 0.000 2.708 397 T HA -0.190 4.159 4.350 -0.001 0.000 0.266 397 T C 1.319 176.257 174.700 0.396 0.000 1.037 397 T CA 1.192 63.467 62.100 0.292 0.000 1.146 397 T CB -0.441 68.585 68.868 0.263 0.000 0.865 397 T HN 0.410 nan 8.240 nan 0.000 0.435 398 W N 2.241 123.627 121.300 0.144 0.000 2.335 398 W HA -0.157 4.502 4.660 -0.001 0.000 0.311 398 W C 1.814 178.590 176.519 0.429 0.000 1.213 398 W CA 1.497 58.974 57.345 0.220 0.000 1.274 398 W CB -0.187 29.346 29.460 0.121 0.000 1.148 398 W HN 0.432 nan 8.180 nan 0.000 0.498 399 E N -0.447 120.027 120.200 0.457 0.000 2.106 399 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 399 E C 2.060 178.850 176.600 0.317 0.000 0.984 399 E CA 1.909 58.717 56.400 0.679 0.000 0.806 399 E CB -0.471 29.556 29.700 0.544 0.000 0.750 399 E HN 0.139 nan 8.360 nan 0.000 0.458 400 T N -0.044 114.530 114.554 0.033 0.000 2.720 400 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 400 T C 1.139 175.468 174.700 -0.618 0.000 1.037 400 T CA 1.439 63.306 62.100 -0.387 0.000 1.144 400 T CB -0.202 68.246 68.868 -0.699 0.000 0.864 400 T HN 0.371 nan 8.240 nan 0.000 0.444 401 W N 0.038 121.270 121.300 -0.114 0.000 2.842 401 W HA 0.259 4.918 4.660 -0.002 0.000 0.267 401 W C 2.154 178.490 176.519 -0.305 0.000 1.219 401 W CA -0.999 56.250 57.345 -0.161 0.000 1.458 401 W CB -0.181 29.295 29.460 0.026 0.000 1.006 401 W HN 0.305 nan 8.180 nan 0.000 0.603 402 W N 0.728 121.786 121.300 -0.403 0.000 2.364 402 W HA -0.164 4.495 4.660 -0.001 0.000 0.281 402 W C 0.966 177.301 176.519 -0.306 0.000 1.219 402 W CA 1.711 58.687 57.345 -0.615 0.000 1.220 402 W CB -1.958 26.585 29.460 -1.528 0.000 1.127 402 W HN -0.241 nan 8.180 nan 0.000 0.556 403 T N 1.870 115.744 114.554 -1.133 0.000 2.778 403 T HA -0.238 4.111 4.350 -0.001 0.000 0.269 403 T C 1.450 175.875 174.700 -0.459 0.000 1.050 403 T CA 2.137 63.620 62.100 -1.029 0.000 1.137 403 T CB -0.336 67.929 68.868 -1.005 0.000 0.860 403 T HN 0.147 nan 8.240 nan 0.000 0.468 404 E N 0.435 120.342 120.200 -0.488 0.000 2.268 404 E HA -0.056 4.293 4.350 -0.001 0.000 0.195 404 E C 1.038 177.229 176.600 -0.682 0.000 0.995 404 E CA 1.064 57.087 56.400 -0.629 0.000 0.836 404 E CB -0.120 29.033 29.700 -0.911 0.000 0.763 404 E HN 0.747 nan 8.360 nan 0.000 0.491 405 Y N -2.468 117.847 120.300 0.025 0.000 2.432 405 Y HA 0.164 4.713 4.550 -0.001 0.000 0.252 405 Y C 0.853 176.775 175.900 0.037 0.000 1.097 405 Y CA -1.147 56.962 58.100 0.016 0.000 1.250 405 Y CB -0.044 38.419 38.460 0.005 0.000 1.245 405 Y HN -0.001 nan 8.280 nan 0.000 0.522 406 W N 4.227 125.539 121.300 0.019 0.000 2.264 406 W HA 0.069 4.728 4.660 -0.002 0.000 0.331 406 W C 0.066 176.551 176.519 -0.055 0.000 1.364 406 W CA 1.057 58.424 57.345 0.038 0.000 1.253 406 W CB 0.806 30.356 29.460 0.150 0.000 1.215 406 W HN 0.310 nan 8.180 nan 0.000 0.561 407 Q N 3.341 122.807 119.800 -0.557 0.000 2.113 407 Q HA 0.214 4.553 4.340 -0.001 0.000 0.225 407 Q C 0.264 175.936 176.000 -0.546 0.000 0.786 407 Q CA -0.226 55.330 55.803 -0.412 0.000 0.989 407 Q CB 1.274 29.794 28.738 -0.363 0.000 1.174 407 Q HN 0.369 nan 8.270 nan 0.000 0.470 408 A N 0.833 123.100 122.820 -0.922 0.000 2.264 408 A HA 0.393 4.712 4.320 -0.001 0.000 0.304 408 A C 1.052 178.389 177.584 -0.411 0.000 1.100 408 A CA -0.153 51.324 52.037 -0.934 0.000 0.839 408 A CB 0.584 18.417 19.000 -1.946 0.000 1.121 408 A HN 0.200 nan 8.150 nan 0.000 0.496 409 T N -1.957 112.313 114.554 -0.474 0.000 3.081 409 T HA 0.124 4.473 4.350 -0.001 0.000 0.250 409 T C 0.429 175.175 174.700 0.076 0.000 1.100 409 T CA -0.012 62.021 62.100 -0.111 0.000 1.038 409 T CB -0.343 68.484 68.868 -0.068 0.000 0.962 409 T HN 0.662 nan 8.240 nan 0.000 0.516 410 W N 0.768 122.266 121.300 0.330 0.000 2.578 410 W HA 0.763 5.422 4.660 -0.001 0.000 0.364 410 W C -0.987 175.783 176.519 0.418 0.000 1.144 410 W CA -1.771 55.764 57.345 0.317 0.000 1.242 410 W CB 0.646 30.294 29.460 0.315 0.000 1.382 410 W HN -0.097 nan 8.180 nan 0.000 0.625 411 I N 2.774 123.701 120.570 0.595 0.000 2.512 411 I HA 0.223 4.392 4.170 -0.001 0.000 0.287 411 I C -2.126 174.053 176.117 0.103 0.000 1.069 411 I CA -2.290 59.158 61.300 0.246 0.000 1.056 411 I CB 2.154 40.009 38.000 -0.241 0.000 1.229 411 I HN -0.023 nan 8.210 nan 0.000 0.429 412 P HA 0.239 nan 4.420 nan 0.000 0.276 412 P C -0.639 176.487 177.300 -0.290 0.000 1.252 412 P CA -0.346 62.783 63.100 0.048 0.000 0.802 412 P CB 0.906 32.797 31.700 0.318 0.000 1.035 413 E N 0.325 120.417 120.200 -0.180 0.000 2.383 413 E HA 0.271 4.620 4.350 -0.001 0.000 0.264 413 E C -0.784 175.736 176.600 -0.133 0.000 1.050 413 E CA 0.101 56.317 56.400 -0.306 0.000 0.896 413 E CB 0.335 29.955 29.700 -0.134 0.000 0.982 413 E HN 0.420 nan 8.360 nan 0.000 0.424 414 W N 1.188 122.407 121.300 -0.136 0.000 3.167 414 W HA 0.407 5.066 4.660 -0.002 0.000 0.324 414 W C -1.044 175.212 176.519 -0.439 0.000 1.230 414 W CA -0.983 56.183 57.345 -0.298 0.000 1.184 414 W CB 0.122 29.265 29.460 -0.529 0.000 1.414 414 W HN 0.490 nan 8.180 nan 0.000 0.551 415 E N 0.636 120.716 120.200 -0.200 0.000 2.404 415 E HA 0.797 5.146 4.350 -0.001 0.000 0.264 415 E C -1.667 174.530 176.600 -0.672 0.000 0.946 415 E CA -1.080 55.112 56.400 -0.346 0.000 0.806 415 E CB 2.343 32.006 29.700 -0.061 0.000 1.334 415 E HN 0.290 nan 8.360 nan 0.000 0.429 416 F N -0.038 119.936 119.950 0.039 0.000 2.495 416 F HA 0.587 5.113 4.527 -0.001 0.000 0.327 416 F C -0.391 175.428 175.800 0.032 0.000 1.103 416 F CA -0.811 57.187 58.000 -0.004 0.000 0.949 416 F CB 2.202 41.201 39.000 -0.002 0.000 1.142 416 F HN 0.189 nan 8.300 nan 0.000 0.457 417 V N 1.856 121.881 119.914 0.185 0.000 3.049 417 V HA 0.361 4.480 4.120 -0.001 0.000 0.309 417 V C -0.882 175.286 176.094 0.124 0.000 1.148 417 V CA -1.187 61.193 62.300 0.134 0.000 0.990 417 V CB 2.565 34.450 31.823 0.103 0.000 1.039 417 V HN 0.645 nan 8.190 nan 0.000 0.430 418 N N 1.537 120.298 118.700 0.102 0.000 2.439 418 N HA 0.243 4.982 4.740 -0.001 0.000 0.249 418 N C -0.246 175.306 175.510 0.071 0.000 1.003 418 N CA -0.180 52.919 53.050 0.082 0.000 0.942 418 N CB 1.485 40.012 38.487 0.066 0.000 1.115 418 N HN 0.705 nan 8.380 nan 0.000 0.505 419 T N 3.900 118.493 114.554 0.066 0.000 2.822 419 T HA 0.040 4.389 4.350 -0.001 0.000 0.288 419 T C -2.203 172.507 174.700 0.018 0.000 0.991 419 T CA -0.344 61.787 62.100 0.051 0.000 1.176 419 T CB 0.046 68.938 68.868 0.039 0.000 0.951 419 T HN 0.224 nan 8.240 nan 0.000 0.526 420 P HA 0.132 nan 4.420 nan 0.000 0.259 420 P C -1.863 175.370 177.300 -0.112 0.000 1.211 420 P CA -1.269 61.823 63.100 -0.013 0.000 0.810 420 P CB 0.233 31.957 31.700 0.040 0.000 0.815 421 P HA -0.184 nan 4.420 nan 0.000 0.218 421 P C 1.355 178.443 177.300 -0.353 0.000 1.146 421 P CA 1.172 64.161 63.100 -0.184 0.000 0.820 421 P CB -0.077 31.542 31.700 -0.134 0.000 0.778 422 L N -1.278 119.645 121.223 -0.500 0.000 2.072 422 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 422 L C 2.402 178.432 176.870 -1.400 0.000 1.079 422 L CA 1.552 55.748 54.840 -1.075 0.000 0.752 422 L CB -1.709 39.607 42.059 -1.239 0.000 0.906 422 L HN -0.074 nan 8.230 nan 0.000 0.436 423 V N 0.541 119.984 119.914 -0.786 0.000 2.317 423 V HA -0.351 3.768 4.120 -0.001 0.000 0.251 423 V C 2.701 178.611 176.094 -0.307 0.000 1.065 423 V CA 2.080 64.128 62.300 -0.421 0.000 1.049 423 V CB -0.696 31.097 31.823 -0.050 0.000 0.651 423 V HN 0.503 nan 8.190 nan 0.000 0.450 424 K N -0.255 119.990 120.400 -0.259 0.000 2.032 424 K HA -0.236 4.083 4.320 -0.001 0.000 0.209 424 K C 2.163 178.634 176.600 -0.215 0.000 1.048 424 K CA 1.926 58.120 56.287 -0.154 0.000 0.927 424 K CB -0.271 32.140 32.500 -0.148 0.000 0.712 424 K HN 0.360 nan 8.250 nan 0.000 0.441 425 L N 0.466 121.445 121.223 -0.405 0.000 2.046 425 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 425 L C 1.751 178.464 176.870 -0.260 0.000 1.077 425 L CA 1.497 56.120 54.840 -0.361 0.000 0.747 425 L CB -0.433 41.328 42.059 -0.497 0.000 0.896 425 L HN 0.358 nan 8.230 nan 0.000 0.432 426 W N -1.753 119.309 121.300 -0.396 0.000 2.937 426 W HA -0.028 4.631 4.660 -0.001 0.000 0.245 426 W C 1.290 177.414 176.519 -0.659 0.000 1.306 426 W CA 0.167 57.141 57.345 -0.618 0.000 1.470 426 W CB -0.740 28.021 29.460 -1.164 0.000 1.132 426 W HN 0.246 nan 8.180 nan 0.000 0.675 427 Y N 0.639 120.867 120.300 -0.120 0.000 2.481 427 Y HA 0.094 4.643 4.550 -0.001 0.000 0.247 427 Y C 1.583 177.466 175.900 -0.029 0.000 1.151 427 Y CA -0.611 57.454 58.100 -0.059 0.000 1.238 427 Y CB -0.553 37.870 38.460 -0.062 0.000 1.179 427 Y HN 0.011 nan 8.280 nan 0.000 0.524 428 Q N 0.718 120.562 119.800 0.074 0.000 2.474 428 Q HA 0.280 4.620 4.340 -0.001 0.000 0.256 428 Q C -0.614 175.418 176.000 0.052 0.000 1.048 428 Q CA 0.099 55.924 55.803 0.036 0.000 0.922 428 Q CB 0.989 29.720 28.738 -0.012 0.000 1.288 428 Q HN 0.309 nan 8.270 nan 0.000 0.484 429 L N 0.000 121.243 121.223 0.033 0.000 2.949 429 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 429 L CA 0.000 54.861 54.840 0.036 0.000 0.813 429 L CB 0.000 42.077 42.059 0.031 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502