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 2df7_1_S DATA FIRST_RESID 12 DATA SEQUENCE VPFIRSLLMP TTGPASIPDD TLEKHTLRSE TSTYNLTVGD TGSGLIVFFP DATA SEQUENCE GFPGSIVGAH YTLQSNGNYK FDQMLLTAQN LPASYNYCRL VSRSLTVRSS DATA SEQUENCE TLPGGVXXLN GTINAVTFQG SLSELTDVSY NGLMSATANI NDKIGNVLVG DATA SEQUENCE EGVTVLSLPT SYDLGYVRLG DPIPAIGLDP KMVATCDSSD RPRVYTITAA DATA SEQUENCE DDYQFSSQYQ SGGVTITLFS ANIDAITSLS IGGELVFHTS VHGLALDATI DATA SEQUENCE YLIGFDGTTV ITRAVASDNG LTTGIDNLMP FNLVIPTNEI TQPITSIKLE DATA SEQUENCE IVTSKSGGQA GDQMSWSASG SLAVTIHGGN YPGALRPVTL VAYERVATGS DATA SEQUENCE VVTVAGVSNF ELIPNPELAK NLVTEYGRFD PGAMNYTKLI LSERERLGIK DATA SEQUENCE TVWPTREYTD FREYFM 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.128 176.094 0.056 0.000 1.182 12 V CA 0.000 62.284 62.300 -0.026 0.000 1.235 12 V CB 0.000 31.784 31.823 -0.065 0.000 1.184 13 P HA -0.240 nan 4.420 nan 0.000 0.219 13 P C 1.617 178.964 177.300 0.078 0.000 1.161 13 P CA 1.706 64.848 63.100 0.069 0.000 0.909 13 P CB 0.116 31.862 31.700 0.077 0.000 0.793 14 F N -0.026 119.940 119.950 0.026 0.000 2.126 14 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 14 F C 2.000 177.832 175.800 0.054 0.000 1.096 14 F CA 1.410 59.424 58.000 0.023 0.000 1.255 14 F CB -0.730 38.264 39.000 -0.010 0.000 0.997 14 F HN -0.219 nan 8.300 nan 0.000 0.479 15 I N 0.407 120.951 120.570 -0.045 0.000 2.286 15 I HA -0.266 3.903 4.170 -0.000 0.000 0.248 15 I C 2.563 178.621 176.117 -0.099 0.000 1.115 15 I CA 1.396 62.682 61.300 -0.023 0.000 1.392 15 I CB -1.415 36.746 38.000 0.269 0.000 1.065 15 I HN 0.225 nan 8.210 nan 0.000 0.418 16 R N 0.362 120.850 120.500 -0.020 0.000 2.075 16 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 16 R C 2.584 178.780 176.300 -0.174 0.000 1.126 16 R CA 1.827 57.889 56.100 -0.063 0.000 0.963 16 R CB -0.116 30.226 30.300 0.070 0.000 0.858 16 R HN 0.206 nan 8.270 nan 0.000 0.435 17 S N 0.387 115.970 115.700 -0.195 0.000 2.368 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 17 S C 1.873 176.308 174.600 -0.274 0.000 1.029 17 S CA 1.087 59.165 58.200 -0.204 0.000 0.988 17 S CB -0.292 62.804 63.200 -0.172 0.000 0.838 17 S HN 0.339 nan 8.310 nan 0.000 0.462 18 L N 1.702 122.646 121.223 -0.464 0.000 1.989 18 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 18 L C 1.937 178.707 176.870 -0.166 0.000 1.071 18 L CA 1.925 56.543 54.840 -0.371 0.000 0.749 18 L CB -0.791 40.958 42.059 -0.516 0.000 0.890 18 L HN 0.409 nan 8.230 nan 0.000 0.431 19 L N -1.557 119.572 121.223 -0.156 0.000 2.341 19 L HA 0.055 4.395 4.340 -0.000 0.000 0.214 19 L C 0.823 177.688 176.870 -0.008 0.000 1.115 19 L CA 0.343 55.161 54.840 -0.037 0.000 0.820 19 L CB -0.095 41.944 42.059 -0.033 0.000 0.944 19 L HN 0.241 nan 8.230 nan 0.000 0.452 20 M N -0.856 118.674 119.600 -0.116 0.000 2.693 20 M HA 0.239 4.719 4.480 -0.000 0.000 0.224 20 M C -1.948 174.316 176.300 -0.060 0.000 1.149 20 M CA -1.244 54.023 55.300 -0.056 0.000 0.622 20 M CB 1.463 33.970 32.600 -0.154 0.000 1.443 20 M HN -0.264 nan 8.290 nan 0.000 0.431 21 P HA -0.203 nan 4.420 nan 0.000 0.217 21 P C 1.351 178.622 177.300 -0.048 0.000 1.148 21 P CA 1.673 64.729 63.100 -0.074 0.000 0.834 21 P CB -0.118 31.527 31.700 -0.092 0.000 0.783 22 T N -4.805 109.733 114.554 -0.026 0.000 3.051 22 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 22 T C 1.496 176.188 174.700 -0.012 0.000 1.127 22 T CA 1.535 63.627 62.100 -0.013 0.000 1.107 22 T CB -1.497 67.372 68.868 0.002 0.000 0.898 22 T HN 0.220 nan 8.240 nan 0.000 0.517 23 T N -1.728 112.813 114.554 -0.022 0.000 3.113 23 T HA 0.489 4.839 4.350 -0.000 0.000 0.256 23 T C 1.191 175.887 174.700 -0.006 0.000 1.131 23 T CA 0.161 62.252 62.100 -0.015 0.000 1.074 23 T CB -0.464 68.391 68.868 -0.021 0.000 0.944 23 T HN 1.094 nan 8.240 nan 0.000 0.516 24 G N 1.606 110.400 108.800 -0.009 0.000 2.381 24 G HA2 0.235 4.194 3.960 -0.000 0.000 0.672 24 G HA3 0.235 4.194 3.960 -0.000 0.000 0.672 24 G C -3.352 171.550 174.900 0.002 0.000 1.324 24 G CA -0.655 44.449 45.100 0.006 0.000 0.975 24 G HN 0.289 nan 8.290 nan 0.000 0.593 25 P HA 0.691 nan 4.420 nan 0.000 0.278 25 P C -0.332 177.017 177.300 0.082 0.000 1.266 25 P CA 0.397 63.526 63.100 0.048 0.000 0.807 25 P CB 1.940 33.686 31.700 0.077 0.000 1.094 26 A N 0.134 123.035 122.820 0.135 0.000 2.605 26 A HA 0.540 4.859 4.320 -0.000 0.000 0.294 26 A C -0.555 177.188 177.584 0.265 0.000 1.062 26 A CA -0.524 51.629 52.037 0.194 0.000 0.682 26 A CB 0.545 19.668 19.000 0.205 0.000 1.278 26 A HN 0.382 nan 8.150 nan 0.000 0.410 27 S N 0.772 116.620 115.700 0.245 0.000 2.576 27 S HA 0.412 4.882 4.470 -0.000 0.000 0.276 27 S C 0.329 174.943 174.600 0.023 0.000 1.339 27 S CA -0.227 58.092 58.200 0.199 0.000 1.039 27 S CB 0.220 63.584 63.200 0.273 0.000 0.902 27 S HN 0.475 nan 8.310 nan 0.000 0.516 28 I N 4.852 125.319 120.570 -0.173 0.000 2.533 28 I HA 0.113 4.283 4.170 -0.000 0.000 0.284 28 I C -1.426 174.367 176.117 -0.539 0.000 1.109 28 I CA -1.523 59.384 61.300 -0.654 0.000 1.412 28 I CB 0.554 38.267 38.000 -0.477 0.000 1.396 28 I HN 0.436 nan 8.210 nan 0.000 0.543 29 P HA 0.049 nan 4.420 nan 0.000 0.237 29 P C -0.943 176.195 177.300 -0.270 0.000 1.723 29 P CA -0.173 62.718 63.100 -0.350 0.000 0.882 29 P CB -0.389 31.130 31.700 -0.303 0.000 1.810 30 D N -0.743 119.511 120.400 -0.242 0.000 2.509 30 D HA 0.125 4.765 4.640 -0.000 0.000 0.275 30 D C 0.478 176.758 176.300 -0.034 0.000 1.189 30 D CA -0.319 53.605 54.000 -0.127 0.000 1.098 30 D CB -0.151 40.587 40.800 -0.104 0.000 1.177 30 D HN -0.180 nan 8.370 nan 0.000 0.599 31 D N -1.351 119.046 120.400 -0.005 0.000 2.363 31 D HA 0.065 4.705 4.640 -0.000 0.000 0.214 31 D C -0.069 176.252 176.300 0.035 0.000 1.093 31 D CA 0.237 54.245 54.000 0.014 0.000 0.837 31 D CB 0.188 40.995 40.800 0.011 0.000 0.948 31 D HN 0.241 nan 8.370 nan 0.000 0.507 32 T N 2.003 116.587 114.554 0.050 0.000 3.945 32 T HA 0.186 4.536 4.350 -0.000 0.000 0.306 32 T C 0.919 175.710 174.700 0.152 0.000 1.475 32 T CA -0.150 62.009 62.100 0.100 0.000 1.177 32 T CB -0.266 68.668 68.868 0.109 0.000 1.272 32 T HN 0.032 nan 8.240 nan 0.000 0.930 33 L N 3.485 124.790 121.223 0.137 0.000 2.536 33 L HA 0.223 4.563 4.340 -0.000 0.000 0.282 33 L C 0.739 177.811 176.870 0.335 0.000 1.174 33 L CA 0.324 55.297 54.840 0.221 0.000 0.989 33 L CB -0.166 41.946 42.059 0.088 0.000 1.311 33 L HN 0.420 nan 8.230 nan 0.000 0.455 34 E N 2.963 123.360 120.200 0.327 0.000 2.256 34 E HA 0.342 4.691 4.350 -0.000 0.000 0.267 34 E C -0.725 175.926 176.600 0.086 0.000 0.892 34 E CA -1.027 55.453 56.400 0.133 0.000 0.775 34 E CB 2.570 32.139 29.700 -0.218 0.000 1.207 34 E HN 0.309 nan 8.360 nan 0.000 0.420 35 K N 3.181 123.405 120.400 -0.295 0.000 2.383 35 K HA 0.096 4.416 4.320 -0.000 0.000 0.286 35 K C 0.023 176.553 176.600 -0.118 0.000 1.051 35 K CA 0.165 56.188 56.287 -0.441 0.000 0.974 35 K CB 0.214 32.402 32.500 -0.520 0.000 0.968 35 K HN 0.522 nan 8.250 nan 0.000 0.475 36 H N -0.272 118.734 119.070 -0.107 0.000 2.947 36 H HA 0.466 5.022 4.556 -0.000 0.000 0.290 36 H C -1.119 174.245 175.328 0.059 0.000 1.430 36 H CA -0.780 55.279 56.048 0.018 0.000 1.189 36 H CB 1.836 31.698 29.762 0.166 0.000 1.875 36 H HN 0.440 nan 8.280 nan 0.000 0.568 37 T N 0.347 115.004 114.554 0.172 0.000 2.906 37 T HA 0.588 4.938 4.350 -0.000 0.000 0.295 37 T C -0.987 173.854 174.700 0.235 0.000 1.075 37 T CA -0.758 61.409 62.100 0.112 0.000 1.005 37 T CB 1.149 70.103 68.868 0.144 0.000 1.136 37 T HN 0.427 nan 8.240 nan 0.000 0.498 38 L N 3.539 124.867 121.223 0.174 0.000 2.329 38 L HA 0.768 5.108 4.340 -0.000 0.000 0.279 38 L C 0.035 176.990 176.870 0.142 0.000 1.014 38 L CA -1.090 53.865 54.840 0.191 0.000 0.814 38 L CB 1.503 43.668 42.059 0.176 0.000 1.257 38 L HN 0.461 nan 8.230 nan 0.000 0.424 39 R N 1.232 121.824 120.500 0.154 0.000 2.707 39 R HA 0.561 4.901 4.340 -0.000 0.000 0.272 39 R C -1.447 174.969 176.300 0.194 0.000 1.011 39 R CA -0.873 55.317 56.100 0.149 0.000 0.893 39 R CB 2.334 32.687 30.300 0.088 0.000 1.233 39 R HN 0.479 nan 8.270 nan 0.000 0.464 40 S N 1.301 117.095 115.700 0.157 0.000 2.478 40 S HA 0.440 4.910 4.470 -0.000 0.000 0.312 40 S C -0.863 173.841 174.600 0.173 0.000 1.094 40 S CA -0.692 57.589 58.200 0.134 0.000 1.081 40 S CB 1.724 64.969 63.200 0.075 0.000 1.007 40 S HN 0.228 nan 8.310 nan 0.000 0.475 41 E N 2.534 122.870 120.200 0.227 0.000 2.199 41 E HA 0.353 4.703 4.350 -0.000 0.000 0.265 41 E C -0.082 176.615 176.600 0.163 0.000 0.882 41 E CA -0.420 56.113 56.400 0.222 0.000 0.759 41 E CB 1.959 31.859 29.700 0.333 0.000 1.148 41 E HN 0.717 nan 8.360 nan 0.000 0.412 42 T N -0.588 114.037 114.554 0.118 0.000 2.847 42 T HA 0.561 4.910 4.350 -0.000 0.000 0.279 42 T C 0.280 175.051 174.700 0.117 0.000 0.984 42 T CA -0.589 61.566 62.100 0.092 0.000 0.988 42 T CB 1.110 70.012 68.868 0.058 0.000 1.040 42 T HN 0.113 nan 8.240 nan 0.000 0.528 43 S N 0.776 116.549 115.700 0.121 0.000 2.614 43 S HA 0.698 5.168 4.470 -0.000 0.000 0.288 43 S C -0.751 173.935 174.600 0.143 0.000 1.137 43 S CA -0.864 57.454 58.200 0.196 0.000 0.992 43 S CB 1.538 64.909 63.200 0.286 0.000 1.026 43 S HN 1.127 nan 8.310 nan 0.000 0.486 44 T N 1.233 115.785 114.554 -0.003 0.000 2.991 44 T HA 0.750 5.100 4.350 -0.000 0.000 0.303 44 T C -1.489 173.007 174.700 -0.340 0.000 1.015 44 T CA -0.540 61.521 62.100 -0.065 0.000 1.007 44 T CB 0.668 69.479 68.868 -0.094 0.000 1.034 44 T HN 0.405 nan 8.240 nan 0.000 0.446 45 Y N 0.979 121.288 120.300 0.016 0.000 2.534 45 Y HA 0.578 5.128 4.550 -0.000 0.000 0.345 45 Y C -0.391 175.492 175.900 -0.028 0.000 1.031 45 Y CA -1.272 56.824 58.100 -0.006 0.000 1.022 45 Y CB 2.404 40.857 38.460 -0.013 0.000 1.292 45 Y HN 0.596 nan 8.280 nan 0.000 0.459 46 N N 3.350 122.109 118.700 0.097 0.000 2.626 46 N HA 0.396 5.136 4.740 -0.000 0.000 0.249 46 N C -1.402 174.120 175.510 0.020 0.000 1.021 46 N CA -0.311 52.757 53.050 0.030 0.000 0.886 46 N CB 1.142 39.630 38.487 0.002 0.000 1.149 46 N HN 0.542 nan 8.380 nan 0.000 0.517 47 L N 0.853 122.054 121.223 -0.037 0.000 2.371 47 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 47 L C 0.857 177.694 176.870 -0.055 0.000 1.124 47 L CA -0.196 54.592 54.840 -0.086 0.000 0.816 47 L CB 0.776 42.617 42.059 -0.363 0.000 1.129 47 L HN 0.151 nan 8.230 nan 0.000 0.448 48 T N 2.010 116.580 114.554 0.027 0.000 2.799 48 T HA 0.329 4.679 4.350 -0.000 0.000 0.286 48 T C 0.009 174.771 174.700 0.104 0.000 0.973 48 T CA -0.428 61.696 62.100 0.040 0.000 1.035 48 T CB 1.505 70.398 68.868 0.042 0.000 0.932 48 T HN 0.205 nan 8.240 nan 0.000 0.469 49 V N 3.924 123.877 119.914 0.065 0.000 2.555 49 V HA 0.418 4.538 4.120 -0.000 0.000 0.286 49 V C 1.284 177.456 176.094 0.129 0.000 1.044 49 V CA -0.288 62.093 62.300 0.134 0.000 1.026 49 V CB 0.945 32.807 31.823 0.065 0.000 0.981 49 V HN 1.025 nan 8.190 nan 0.000 0.480 50 G N 3.016 111.914 108.800 0.163 0.000 2.570 50 G HA2 0.166 4.126 3.960 -0.000 0.000 0.276 50 G HA3 0.166 4.126 3.960 -0.000 0.000 0.276 50 G C 0.572 175.518 174.900 0.077 0.000 1.346 50 G CA 0.272 45.432 45.100 0.100 0.000 1.034 50 G HN 0.883 nan 8.290 nan 0.000 0.512 51 D N -2.120 118.308 120.400 0.047 0.000 2.348 51 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 51 D C 2.039 178.354 176.300 0.025 0.000 0.970 51 D CA 1.365 55.384 54.000 0.031 0.000 0.889 51 D CB -0.366 40.444 40.800 0.017 0.000 0.912 51 D HN 0.399 nan 8.370 nan 0.000 0.524 52 T N -4.329 110.241 114.554 0.026 0.000 3.081 52 T HA 0.306 4.656 4.350 -0.000 0.000 0.255 52 T C 1.884 176.601 174.700 0.028 0.000 1.113 52 T CA 0.326 62.430 62.100 0.007 0.000 1.082 52 T CB -0.274 68.581 68.868 -0.022 0.000 0.939 52 T HN 0.375 nan 8.240 nan 0.000 0.506 53 G N 0.533 109.382 108.800 0.081 0.000 2.155 53 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.257 53 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.257 53 G C 0.117 175.140 174.900 0.206 0.000 0.983 53 G CA 0.228 45.407 45.100 0.132 0.000 0.676 53 G HN 0.790 nan 8.290 nan 0.000 0.528 54 S N -0.855 114.914 115.700 0.114 0.000 2.542 54 S HA 0.916 5.386 4.470 -0.000 0.000 0.293 54 S C 0.377 174.804 174.600 -0.287 0.000 1.089 54 S CA 0.084 58.227 58.200 -0.094 0.000 0.961 54 S CB 2.333 65.462 63.200 -0.119 0.000 1.062 54 S HN 1.630 nan 8.310 nan 0.000 0.483 55 G N 0.285 108.504 108.800 -0.968 0.000 2.550 55 G HA2 0.624 4.584 3.960 -0.000 0.000 0.293 55 G HA3 0.624 4.584 3.960 -0.000 0.000 0.293 55 G C -2.469 172.152 174.900 -0.465 0.000 1.402 55 G CA -0.538 44.173 45.100 -0.648 0.000 0.784 55 G HN 0.635 nan 8.290 nan 0.000 0.482 56 L N -0.165 121.061 121.223 0.006 0.000 2.464 56 L HA 0.788 5.128 4.340 -0.000 0.000 0.266 56 L C -1.247 175.718 176.870 0.159 0.000 0.965 56 L CA -0.686 54.178 54.840 0.040 0.000 0.833 56 L CB 1.816 43.794 42.059 -0.136 0.000 1.296 56 L HN 0.508 nan 8.230 nan 0.000 0.405 57 I N 5.230 125.831 120.570 0.051 0.000 2.378 57 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 57 I C -0.750 175.155 176.117 -0.352 0.000 0.992 57 I CA -0.966 60.240 61.300 -0.157 0.000 1.154 57 I CB 1.960 39.742 38.000 -0.363 0.000 1.315 57 I HN 0.249 nan 8.210 nan 0.000 0.448 58 V N 6.934 126.597 119.914 -0.418 0.000 2.370 58 V HA 0.391 4.511 4.120 -0.000 0.000 0.283 58 V C -0.353 175.286 176.094 -0.758 0.000 1.023 58 V CA -0.405 61.589 62.300 -0.509 0.000 0.857 58 V CB 0.959 32.501 31.823 -0.469 0.000 0.985 58 V HN 0.400 nan 8.190 nan 0.000 0.443 59 F N 3.884 123.550 119.950 -0.473 0.000 2.458 59 F HA 0.582 5.109 4.527 -0.000 0.000 0.330 59 F C 0.025 175.456 175.800 -0.614 0.000 1.082 59 F CA -0.564 57.174 58.000 -0.437 0.000 0.995 59 F CB 1.744 40.641 39.000 -0.172 0.000 1.170 59 F HN 0.360 nan 8.300 nan 0.000 0.478 60 F N 3.734 123.851 119.950 0.279 0.000 2.366 60 F HA 0.262 4.789 4.527 -0.000 0.000 0.328 60 F C -1.489 174.456 175.800 0.242 0.000 1.180 60 F CA -1.785 56.356 58.000 0.235 0.000 1.232 60 F CB 0.157 39.301 39.000 0.240 0.000 1.513 60 F HN 0.285 nan 8.300 nan 0.000 0.540 61 P HA -0.212 nan 4.420 nan 0.000 0.218 61 P C 1.367 178.765 177.300 0.163 0.000 1.152 61 P CA 1.687 64.871 63.100 0.141 0.000 0.857 61 P CB 0.278 32.012 31.700 0.056 0.000 0.787 62 G N -2.100 106.825 108.800 0.208 0.000 3.337 62 G HA2 0.072 4.032 3.960 -0.000 0.000 0.246 62 G HA3 0.072 4.032 3.960 -0.000 0.000 0.246 62 G C -0.153 174.885 174.900 0.230 0.000 1.131 62 G CA -0.460 44.742 45.100 0.171 0.000 0.773 62 G HN 0.140 nan 8.290 nan 0.000 0.544 63 F N 3.300 123.383 119.950 0.221 0.000 2.571 63 F HA 0.215 4.742 4.527 -0.000 0.000 0.390 63 F C -1.371 174.564 175.800 0.224 0.000 1.043 63 F CA -2.255 55.873 58.000 0.213 0.000 1.164 63 F CB 0.968 40.101 39.000 0.222 0.000 1.049 63 F HN -0.015 nan 8.300 nan 0.000 0.552 64 P HA 0.286 nan 4.420 nan 0.000 0.237 64 P C -0.039 177.213 177.300 -0.080 0.000 1.788 64 P CA 0.414 63.436 63.100 -0.129 0.000 1.061 64 P CB 0.093 31.628 31.700 -0.275 0.000 1.967 65 G N 0.232 109.248 108.800 0.360 0.000 2.360 65 G HA2 0.036 3.995 3.960 -0.000 0.000 0.276 65 G HA3 0.036 3.995 3.960 -0.000 0.000 0.276 65 G C 0.288 175.449 174.900 0.436 0.000 1.256 65 G CA -0.338 44.945 45.100 0.305 0.000 0.890 65 G HN -0.058 nan 8.290 nan 0.000 0.486 66 S N -0.252 115.608 115.700 0.266 0.000 2.562 66 S HA 0.227 4.697 4.470 -0.000 0.000 0.221 66 S C 1.073 175.747 174.600 0.122 0.000 0.975 66 S CA 0.128 58.441 58.200 0.188 0.000 0.918 66 S CB -0.283 62.978 63.200 0.102 0.000 0.772 66 S HN 0.352 nan 8.310 nan 0.000 0.531 67 I N 1.836 122.351 120.570 -0.091 0.000 2.363 67 I HA 0.119 4.289 4.170 -0.000 0.000 0.292 67 I C 0.901 176.983 176.117 -0.058 0.000 1.075 67 I CA -0.199 60.905 61.300 -0.327 0.000 1.333 67 I CB 1.091 38.491 38.000 -0.999 0.000 1.415 67 I HN -0.031 nan 8.210 nan 0.000 0.502 68 V N 5.734 125.731 119.914 0.138 0.000 2.795 68 V HA 0.321 4.441 4.120 -0.000 0.000 0.243 68 V C 1.048 177.358 176.094 0.360 0.000 1.069 68 V CA 1.213 63.686 62.300 0.289 0.000 1.089 68 V CB 0.280 32.270 31.823 0.277 0.000 0.756 68 V HN 0.990 nan 8.190 nan 0.000 0.471 69 G N -1.320 107.602 108.800 0.203 0.000 2.348 69 G HA2 0.670 4.630 3.960 -0.000 0.000 0.296 69 G HA3 0.670 4.630 3.960 -0.000 0.000 0.296 69 G C -1.885 172.995 174.900 -0.033 0.000 1.258 69 G CA 0.128 45.225 45.100 -0.005 0.000 0.868 69 G HN 0.673 nan 8.290 nan 0.000 0.488 70 A N -0.513 122.204 122.820 -0.172 0.000 2.517 70 A HA 0.760 5.080 4.320 -0.000 0.000 0.297 70 A C -1.246 176.210 177.584 -0.214 0.000 1.050 70 A CA -0.427 51.555 52.037 -0.092 0.000 0.694 70 A CB 1.352 20.423 19.000 0.117 0.000 1.277 70 A HN 1.202 nan 8.150 nan 0.000 0.400 71 H N 1.384 120.193 119.070 -0.434 0.000 2.457 71 H HA 0.690 5.246 4.556 -0.000 0.000 0.335 71 H C -1.739 173.309 175.328 -0.466 0.000 1.115 71 H CA -0.329 55.513 56.048 -0.343 0.000 1.219 71 H CB 0.958 30.558 29.762 -0.270 0.000 1.471 71 H HN 0.616 nan 8.280 nan 0.000 0.491 72 Y N 1.617 121.717 120.300 -0.334 0.000 2.477 72 Y HA 0.192 4.742 4.550 -0.000 0.000 0.347 72 Y C 0.182 175.919 175.900 -0.272 0.000 0.981 72 Y CA -0.822 57.136 58.100 -0.236 0.000 1.033 72 Y CB 2.283 40.754 38.460 0.018 0.000 1.245 72 Y HN 0.601 nan 8.280 nan 0.000 0.455 73 T N 0.320 114.862 114.554 -0.021 0.000 2.902 73 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 73 T C -0.971 173.838 174.700 0.182 0.000 1.009 73 T CA -0.800 61.336 62.100 0.059 0.000 1.051 73 T CB 1.558 70.439 68.868 0.022 0.000 0.999 73 T HN 0.433 nan 8.240 nan 0.000 0.474 74 L N 2.180 123.451 121.223 0.080 0.000 2.276 74 L HA 0.413 4.753 4.340 -0.000 0.000 0.286 74 L C 0.069 176.884 176.870 -0.091 0.000 1.061 74 L CA -0.040 54.729 54.840 -0.119 0.000 0.807 74 L CB 0.851 42.764 42.059 -0.244 0.000 1.177 74 L HN 0.767 nan 8.230 nan 0.000 0.429 75 Q N 1.718 121.449 119.800 -0.116 0.000 2.221 75 Q HA 0.260 4.599 4.340 -0.000 0.000 0.242 75 Q C 1.249 177.193 176.000 -0.092 0.000 0.940 75 Q CA 0.180 55.939 55.803 -0.073 0.000 0.896 75 Q CB 1.391 30.099 28.738 -0.051 0.000 1.226 75 Q HN 0.864 nan 8.270 nan 0.000 0.463 76 S N 0.435 116.099 115.700 -0.060 0.000 2.402 76 S HA -0.266 4.204 4.470 -0.000 0.000 0.233 76 S C 1.136 175.695 174.600 -0.069 0.000 1.030 76 S CA 1.926 60.092 58.200 -0.058 0.000 1.003 76 S CB -0.699 62.478 63.200 -0.038 0.000 0.813 76 S HN 0.846 nan 8.310 nan 0.000 0.477 77 N N 0.786 119.443 118.700 -0.071 0.000 2.521 77 N HA 0.244 4.984 4.740 -0.000 0.000 0.188 77 N C 1.269 176.717 175.510 -0.103 0.000 1.146 77 N CA 0.349 53.354 53.050 -0.075 0.000 0.893 77 N CB -0.145 38.304 38.487 -0.063 0.000 0.975 77 N HN 0.558 nan 8.380 nan 0.000 0.451 78 G N 0.064 108.780 108.800 -0.140 0.000 2.195 78 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.246 78 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.246 78 G C -0.389 174.348 174.900 -0.272 0.000 0.984 78 G CA -0.218 44.766 45.100 -0.193 0.000 0.633 78 G HN 0.421 nan 8.290 nan 0.000 0.525 79 N N -0.245 118.319 118.700 -0.226 0.000 2.489 79 N HA 0.595 5.335 4.740 -0.000 0.000 0.284 79 N C -0.274 175.087 175.510 -0.248 0.000 1.158 79 N CA -0.336 52.577 53.050 -0.229 0.000 0.965 79 N CB 0.665 39.080 38.487 -0.120 0.000 1.195 79 N HN 0.233 nan 8.380 nan 0.000 0.506 80 Y N 0.238 120.463 120.300 -0.124 0.000 2.316 80 Y HA 0.263 4.813 4.550 -0.000 0.000 0.324 80 Y C 0.923 176.848 175.900 0.042 0.000 1.267 80 Y CA -0.071 58.001 58.100 -0.045 0.000 1.311 80 Y CB 1.172 39.562 38.460 -0.118 0.000 1.267 80 Y HN 0.178 nan 8.280 nan 0.000 0.516 81 K N 2.833 123.440 120.400 0.346 0.000 2.507 81 K HA 0.239 4.559 4.320 -0.000 0.000 0.251 81 K C -1.558 175.250 176.600 0.346 0.000 0.943 81 K CA -0.788 55.663 56.287 0.274 0.000 0.794 81 K CB 0.936 33.514 32.500 0.131 0.000 1.188 81 K HN 0.538 nan 8.250 nan 0.000 0.428 82 F N 3.974 124.057 119.950 0.221 0.000 2.578 82 F HA -0.008 4.519 4.527 -0.000 0.000 0.376 82 F C 0.901 176.624 175.800 -0.128 0.000 1.085 82 F CA 0.499 58.486 58.000 -0.022 0.000 1.260 82 F CB 0.784 39.793 39.000 0.014 0.000 1.095 82 F HN 0.804 nan 8.300 nan 0.000 0.573 83 D N 2.585 122.366 120.400 -1.031 0.000 2.805 83 D HA 0.098 4.737 4.640 -0.000 0.000 0.271 83 D C -0.507 175.051 176.300 -1.236 0.000 1.166 83 D CA 1.065 54.571 54.000 -0.824 0.000 1.004 83 D CB 0.216 40.709 40.800 -0.512 0.000 1.136 83 D HN 0.694 nan 8.370 nan 0.000 0.444 84 Q N -1.287 117.673 119.800 -1.399 0.000 2.702 84 Q HA 0.316 4.656 4.340 -0.000 0.000 0.289 84 Q C -1.163 174.615 176.000 -0.369 0.000 0.923 84 Q CA -1.011 54.272 55.803 -0.867 0.000 0.787 84 Q CB 0.964 29.509 28.738 -0.323 0.000 1.476 84 Q HN -0.052 nan 8.270 nan 0.000 0.402 85 M N 1.374 120.989 119.600 0.025 0.000 2.255 85 M HA 0.450 4.930 4.480 -0.000 0.000 0.336 85 M C -0.604 175.596 176.300 -0.167 0.000 1.135 85 M CA -0.301 55.028 55.300 0.050 0.000 1.145 85 M CB 0.391 33.061 32.600 0.117 0.000 1.473 85 M HN 0.628 nan 8.290 nan 0.000 0.462 86 L N 3.993 125.081 121.223 -0.225 0.000 2.325 86 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 86 L C -0.535 176.290 176.870 -0.075 0.000 1.004 86 L CA -0.352 54.192 54.840 -0.494 0.000 0.823 86 L CB 1.037 42.799 42.059 -0.494 0.000 1.236 86 L HN 0.589 nan 8.230 nan 0.000 0.415 87 L N 1.238 122.549 121.223 0.147 0.000 2.216 87 L HA 0.654 4.994 4.340 -0.000 0.000 0.260 87 L C 0.538 177.595 176.870 0.312 0.000 1.036 87 L CA -0.829 54.143 54.840 0.221 0.000 0.914 87 L CB 1.982 44.154 42.059 0.188 0.000 1.501 87 L HN 0.526 nan 8.230 nan 0.000 0.485 88 T N -2.656 112.039 114.554 0.236 0.000 2.874 88 T HA 0.424 4.773 4.350 -0.000 0.000 0.281 88 T C 1.021 175.820 174.700 0.164 0.000 0.994 88 T CA -0.085 62.148 62.100 0.221 0.000 1.015 88 T CB 1.539 70.543 68.868 0.226 0.000 1.028 88 T HN 0.633 nan 8.240 nan 0.000 0.523 89 A N 0.912 123.806 122.820 0.124 0.000 1.917 89 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 89 A C 1.274 178.900 177.584 0.070 0.000 1.182 89 A CA 1.665 53.743 52.037 0.069 0.000 0.633 89 A CB -0.887 18.147 19.000 0.056 0.000 0.819 89 A HN 0.989 nan 8.150 nan 0.000 0.448 90 Q N -1.433 118.419 119.800 0.087 0.000 2.416 90 Q HA 0.510 4.850 4.340 -0.000 0.000 0.279 90 Q C -1.016 175.033 176.000 0.081 0.000 1.101 90 Q CA -0.964 54.886 55.803 0.077 0.000 0.830 90 Q CB 0.768 29.555 28.738 0.082 0.000 1.402 90 Q HN 0.171 nan 8.270 nan 0.000 0.445 91 N N 1.703 120.443 118.700 0.068 0.000 2.439 91 N HA 0.131 4.871 4.740 -0.000 0.000 0.243 91 N C 0.470 176.020 175.510 0.066 0.000 1.088 91 N CA -0.085 53.002 53.050 0.061 0.000 0.940 91 N CB 0.373 38.889 38.487 0.048 0.000 1.180 91 N HN 0.799 nan 8.380 nan 0.000 0.505 92 L N 4.282 125.537 121.223 0.054 0.000 2.043 92 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 92 L C -0.660 176.277 176.870 0.112 0.000 1.075 92 L CA 1.309 56.198 54.840 0.081 0.000 0.752 92 L CB -1.285 40.715 42.059 -0.098 0.000 0.891 92 L HN 0.510 nan 8.230 nan 0.000 0.432 93 P HA -0.150 nan 4.420 nan 0.000 0.223 93 P C 1.148 178.454 177.300 0.011 0.000 1.144 93 P CA 1.390 64.505 63.100 0.025 0.000 0.783 93 P CB 0.009 31.715 31.700 0.010 0.000 0.771 94 A N -1.581 121.250 122.820 0.017 0.000 2.123 94 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 94 A C 2.039 179.589 177.584 -0.057 0.000 1.152 94 A CA 1.376 53.405 52.037 -0.012 0.000 0.728 94 A CB -0.502 18.498 19.000 -0.001 0.000 0.814 94 A HN 0.107 nan 8.150 nan 0.000 0.464 95 S N -2.491 113.163 115.700 -0.077 0.000 2.589 95 S HA 0.357 4.827 4.470 -0.000 0.000 0.235 95 S C -0.481 173.788 174.600 -0.551 0.000 1.051 95 S CA -0.229 57.781 58.200 -0.317 0.000 0.978 95 S CB 0.146 63.087 63.200 -0.432 0.000 0.929 95 S HN 0.507 nan 8.310 nan 0.000 0.523 96 Y N 0.810 121.093 120.300 -0.030 0.000 2.576 96 Y HA 0.513 5.063 4.550 -0.000 0.000 0.346 96 Y C 0.653 176.518 175.900 -0.058 0.000 1.018 96 Y CA -1.089 56.998 58.100 -0.021 0.000 1.050 96 Y CB 1.062 39.512 38.460 -0.017 0.000 1.280 96 Y HN -0.145 nan 8.280 nan 0.000 0.474 97 N N -0.234 118.526 118.700 0.099 0.000 2.332 97 N HA 0.106 4.845 4.740 -0.000 0.000 0.190 97 N C -1.247 174.055 175.510 -0.347 0.000 1.117 97 N CA 0.361 53.326 53.050 -0.141 0.000 0.883 97 N CB 0.680 39.062 38.487 -0.174 0.000 1.089 97 N HN 0.539 nan 8.380 nan 0.000 0.480 98 Y N -0.879 119.495 120.300 0.122 0.000 2.524 98 Y HA 0.527 5.077 4.550 -0.000 0.000 0.347 98 Y C -0.353 175.667 175.900 0.201 0.000 1.005 98 Y CA -1.103 57.086 58.100 0.148 0.000 1.025 98 Y CB 2.272 40.824 38.460 0.154 0.000 1.275 98 Y HN -0.143 nan 8.280 nan 0.000 0.460 99 C N 2.608 122.108 119.300 0.334 0.000 3.239 99 C HA 0.840 5.300 4.460 -0.000 0.000 0.317 99 C C -1.666 173.300 174.990 -0.040 0.000 1.310 99 C CA -0.702 58.394 59.018 0.130 0.000 1.371 99 C CB 1.874 29.592 27.740 -0.037 0.000 1.714 99 C HN 1.028 nan 8.230 nan 0.000 0.473 100 R N 2.468 122.911 120.500 -0.094 0.000 2.604 100 R HA 0.672 5.012 4.340 -0.000 0.000 0.281 100 R C -1.671 174.687 176.300 0.098 0.000 1.020 100 R CA -0.646 55.364 56.100 -0.150 0.000 0.899 100 R CB 1.741 31.702 30.300 -0.564 0.000 1.205 100 R HN 0.751 nan 8.270 nan 0.000 0.450 101 L N 4.513 125.816 121.223 0.134 0.000 2.319 101 L HA 0.240 4.580 4.340 -0.000 0.000 0.280 101 L C 0.030 176.932 176.870 0.052 0.000 1.099 101 L CA 0.453 55.342 54.840 0.082 0.000 0.828 101 L CB 1.612 43.721 42.059 0.083 0.000 1.150 101 L HN 0.628 nan 8.230 nan 0.000 0.442 102 V N 2.737 122.644 119.914 -0.012 0.000 2.581 102 V HA 0.275 4.395 4.120 -0.000 0.000 0.240 102 V C 0.603 176.757 176.094 0.099 0.000 1.054 102 V CA 1.159 63.529 62.300 0.117 0.000 1.076 102 V CB 0.241 32.127 31.823 0.106 0.000 0.748 102 V HN 0.952 nan 8.190 nan 0.000 0.474 103 S N -0.368 115.294 115.700 -0.063 0.000 2.595 103 S HA 0.754 5.224 4.470 -0.000 0.000 0.270 103 S C -0.908 173.601 174.600 -0.150 0.000 1.145 103 S CA -0.872 57.278 58.200 -0.083 0.000 0.825 103 S CB 2.843 65.974 63.200 -0.115 0.000 1.107 103 S HN 0.449 nan 8.310 nan 0.000 0.461 104 R N 0.191 120.617 120.500 -0.122 0.000 2.644 104 R HA 0.661 5.001 4.340 -0.000 0.000 0.257 104 R C -1.905 174.311 176.300 -0.140 0.000 1.082 104 R CA 0.014 56.034 56.100 -0.133 0.000 0.927 104 R CB 1.603 31.832 30.300 -0.118 0.000 1.258 104 R HN 1.411 nan 8.270 nan 0.000 0.459 105 S N 3.479 119.087 115.700 -0.154 0.000 2.537 105 S HA 0.752 5.222 4.470 -0.000 0.000 0.270 105 S C -1.424 173.049 174.600 -0.212 0.000 1.142 105 S CA -0.843 57.230 58.200 -0.212 0.000 0.870 105 S CB 1.725 64.781 63.200 -0.240 0.000 1.112 105 S HN 0.434 nan 8.310 nan 0.000 0.466 106 L N 1.752 122.801 121.223 -0.290 0.000 2.434 106 L HA 0.770 5.110 4.340 -0.000 0.000 0.260 106 L C -0.272 176.468 176.870 -0.218 0.000 0.983 106 L CA -0.661 54.021 54.840 -0.263 0.000 0.820 106 L CB 2.819 44.590 42.059 -0.481 0.000 1.361 106 L HN 0.988 nan 8.230 nan 0.000 0.410 107 T N -0.919 113.576 114.554 -0.098 0.000 2.885 107 T HA 0.836 5.186 4.350 -0.000 0.000 0.285 107 T C -0.666 174.050 174.700 0.026 0.000 1.019 107 T CA -0.836 61.239 62.100 -0.041 0.000 1.010 107 T CB 1.975 70.838 68.868 -0.009 0.000 1.022 107 T HN 0.232 nan 8.240 nan 0.000 0.466 108 V N 3.550 123.497 119.914 0.055 0.000 2.525 108 V HA 0.792 4.912 4.120 -0.000 0.000 0.299 108 V C -0.160 175.967 176.094 0.056 0.000 1.034 108 V CA -0.906 61.446 62.300 0.086 0.000 0.863 108 V CB 1.265 33.184 31.823 0.159 0.000 0.999 108 V HN 1.176 nan 8.190 nan 0.000 0.423 109 R N 2.106 122.621 120.500 0.025 0.000 2.692 109 R HA 0.666 5.006 4.340 -0.000 0.000 0.269 109 R C -1.105 175.182 176.300 -0.023 0.000 1.030 109 R CA -0.589 55.518 56.100 0.011 0.000 0.882 109 R CB 1.766 32.079 30.300 0.022 0.000 1.250 109 R HN 0.474 nan 8.270 nan 0.000 0.465 110 S N -0.174 115.508 115.700 -0.030 0.000 2.584 110 S HA 0.234 4.704 4.470 -0.000 0.000 0.273 110 S C 0.544 175.128 174.600 -0.027 0.000 1.311 110 S CA 0.060 58.231 58.200 -0.049 0.000 1.034 110 S CB 0.816 63.987 63.200 -0.048 0.000 0.939 110 S HN 0.679 nan 8.310 nan 0.000 0.513 111 S N 2.047 117.728 115.700 -0.030 0.000 2.733 111 S HA 0.327 4.797 4.470 -0.000 0.000 0.247 111 S C 0.272 174.862 174.600 -0.017 0.000 1.043 111 S CA -0.427 57.762 58.200 -0.018 0.000 1.066 111 S CB 0.439 63.630 63.200 -0.015 0.000 1.045 111 S HN 0.547 nan 8.310 nan 0.000 0.586 112 T N 1.417 115.957 114.554 -0.022 0.000 2.883 112 T HA 0.680 5.030 4.350 -0.000 0.000 0.301 112 T C -2.104 172.587 174.700 -0.015 0.000 1.158 112 T CA -0.573 61.517 62.100 -0.017 0.000 1.007 112 T CB 1.606 70.463 68.868 -0.018 0.000 1.186 112 T HN 0.267 nan 8.240 nan 0.000 0.499 113 L N 4.113 125.330 121.223 -0.009 0.000 2.457 113 L HA 0.442 4.782 4.340 -0.000 0.000 0.266 113 L C -1.893 174.975 176.870 -0.004 0.000 0.979 113 L CA -1.592 53.245 54.840 -0.006 0.000 0.857 113 L CB 2.135 44.192 42.059 -0.003 0.000 1.213 113 L HN 0.513 nan 8.230 nan 0.000 0.418 114 P HA 0.116 nan 4.420 nan 0.000 0.275 114 P C 0.925 178.225 177.300 0.000 0.000 1.270 114 P CA -0.160 62.940 63.100 -0.001 0.000 0.791 114 P CB 0.703 32.404 31.700 0.001 0.000 1.089 115 G N 0.549 109.350 108.800 0.001 0.000 2.907 115 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.235 115 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.235 115 G C 1.330 176.231 174.900 0.001 0.000 1.198 115 G CA 1.178 46.278 45.100 0.001 0.000 0.766 115 G HN 0.753 nan 8.290 nan 0.000 0.763 116 G N -0.823 107.978 108.800 0.002 0.000 3.295 116 G HA2 0.411 4.371 3.960 -0.000 0.000 0.231 116 G HA3 0.411 4.371 3.960 -0.000 0.000 0.231 116 G C -0.237 174.665 174.900 0.002 0.000 1.277 116 G CA 0.721 45.822 45.100 0.002 0.000 1.013 116 G HN 0.735 nan 8.290 nan 0.000 0.509 121 N N 3.234 121.940 118.700 0.011 0.000 2.648 121 N HA 0.746 5.486 4.740 -0.000 0.000 0.272 121 N C -0.693 174.828 175.510 0.019 0.000 1.118 121 N CA -0.108 52.949 53.050 0.012 0.000 0.973 121 N CB 2.118 40.610 38.487 0.008 0.000 1.565 121 N HN 0.825 nan 8.380 nan 0.000 0.542 122 G N 0.645 109.459 108.800 0.024 0.000 2.484 122 G HA2 0.214 4.174 3.960 -0.000 0.000 0.685 122 G HA3 0.214 4.174 3.960 -0.000 0.000 0.685 122 G C -0.942 173.997 174.900 0.065 0.000 1.294 122 G CA -0.549 44.574 45.100 0.039 0.000 0.879 122 G HN 0.648 nan 8.290 nan 0.000 0.646 123 T N -1.721 112.888 114.554 0.091 0.000 2.883 123 T HA 0.820 5.170 4.350 -0.000 0.000 0.296 123 T C -0.338 174.549 174.700 0.310 0.000 1.117 123 T CA -0.869 61.331 62.100 0.167 0.000 1.006 123 T CB 2.255 71.228 68.868 0.174 0.000 1.191 123 T HN 0.985 nan 8.240 nan 0.000 0.508 124 I N 1.600 122.371 120.570 0.336 0.000 2.608 124 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 124 I C -0.865 175.375 176.117 0.205 0.000 1.049 124 I CA -1.055 60.461 61.300 0.360 0.000 1.063 124 I CB 2.217 40.356 38.000 0.232 0.000 1.248 124 I HN 0.551 nan 8.210 nan 0.000 0.424 125 N N 3.858 122.553 118.700 -0.008 0.000 2.321 125 N HA 0.803 5.542 4.740 -0.000 0.000 0.299 125 N C -1.235 174.207 175.510 -0.113 0.000 1.048 125 N CA -0.443 52.447 53.050 -0.266 0.000 0.836 125 N CB 2.351 40.354 38.487 -0.808 0.000 1.269 125 N HN 0.721 nan 8.380 nan 0.000 0.486 126 A N 0.865 123.642 122.820 -0.072 0.000 2.486 126 A HA 0.785 5.105 4.320 -0.000 0.000 0.300 126 A C -1.287 176.271 177.584 -0.044 0.000 1.048 126 A CA -0.680 51.342 52.037 -0.025 0.000 0.696 126 A CB 1.492 20.510 19.000 0.030 0.000 1.278 126 A HN 0.433 nan 8.150 nan 0.000 0.405 127 V N 0.836 120.732 119.914 -0.029 0.000 3.120 127 V HA 0.787 4.906 4.120 -0.000 0.000 0.303 127 V C -1.072 175.028 176.094 0.011 0.000 1.238 127 V CA -0.198 62.087 62.300 -0.025 0.000 1.008 127 V CB 2.522 34.323 31.823 -0.036 0.000 1.064 127 V HN 1.026 nan 8.190 nan 0.000 0.434 128 T N 6.228 120.794 114.554 0.021 0.000 2.772 128 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 128 T C -0.952 173.823 174.700 0.124 0.000 0.994 128 T CA 0.050 62.181 62.100 0.051 0.000 0.951 128 T CB 0.635 69.504 68.868 0.001 0.000 0.933 128 T HN 0.591 nan 8.240 nan 0.000 0.447 129 F N 2.732 122.664 119.950 -0.031 0.000 2.421 129 F HA 0.331 4.858 4.527 -0.000 0.000 0.337 129 F C 1.149 176.943 175.800 -0.010 0.000 1.105 129 F CA -0.878 57.108 58.000 -0.023 0.000 1.049 129 F CB 1.350 40.337 39.000 -0.021 0.000 1.139 129 F HN 0.491 nan 8.300 nan 0.000 0.479 130 Q N 3.896 123.434 119.800 -0.437 0.000 2.329 130 Q HA 0.200 4.540 4.340 -0.000 0.000 0.208 130 Q C 0.548 176.118 176.000 -0.717 0.000 0.934 130 Q CA 0.190 55.717 55.803 -0.460 0.000 0.951 130 Q CB 0.200 28.758 28.738 -0.301 0.000 1.017 130 Q HN 0.907 nan 8.270 nan 0.000 0.490 131 G N -0.083 107.884 108.800 -1.387 0.000 3.209 131 G HA2 0.449 4.409 3.960 -0.000 0.000 0.236 131 G HA3 0.449 4.409 3.960 -0.000 0.000 0.236 131 G C -0.628 174.213 174.900 -0.098 0.000 1.329 131 G CA -0.493 44.150 45.100 -0.763 0.000 1.015 131 G HN 0.210 nan 8.290 nan 0.000 0.571 132 S N -1.066 114.743 115.700 0.182 0.000 2.722 132 S HA 0.395 4.865 4.470 -0.000 0.000 0.292 132 S C 1.251 176.068 174.600 0.361 0.000 1.135 132 S CA -0.553 57.814 58.200 0.278 0.000 1.003 132 S CB 1.579 64.909 63.200 0.216 0.000 1.067 132 S HN 0.576 nan 8.310 nan 0.000 0.546 133 L N 1.887 123.268 121.223 0.262 0.000 2.034 133 L HA -0.172 4.168 4.340 -0.000 0.000 0.217 133 L C 2.561 179.501 176.870 0.116 0.000 1.077 133 L CA 2.776 57.689 54.840 0.121 0.000 0.769 133 L CB -1.326 40.756 42.059 0.038 0.000 0.890 133 L HN 1.002 nan 8.230 nan 0.000 0.435 134 S N -2.207 113.588 115.700 0.158 0.000 2.555 134 S HA -0.113 4.357 4.470 -0.000 0.000 0.230 134 S C 1.670 176.354 174.600 0.141 0.000 0.978 134 S CA 0.932 59.218 58.200 0.143 0.000 0.934 134 S CB -0.522 62.745 63.200 0.112 0.000 0.766 134 S HN 0.643 nan 8.310 nan 0.000 0.533 135 E N 0.418 120.749 120.200 0.218 0.000 2.371 135 E HA 0.236 4.586 4.350 -0.000 0.000 0.194 135 E C -0.110 176.594 176.600 0.173 0.000 1.012 135 E CA -0.164 56.402 56.400 0.276 0.000 0.860 135 E CB -0.073 29.884 29.700 0.429 0.000 0.811 135 E HN 0.549 nan 8.360 nan 0.000 0.502 136 L N 1.418 122.571 121.223 -0.117 0.000 2.525 136 L HA -0.046 4.293 4.340 -0.000 0.000 0.278 136 L C 1.717 178.491 176.870 -0.159 0.000 1.218 136 L CA 0.286 54.851 54.840 -0.459 0.000 0.878 136 L CB 0.674 42.432 42.059 -0.502 0.000 1.127 136 L HN 0.162 nan 8.230 nan 0.000 0.492 137 T N -2.665 111.803 114.554 -0.144 0.000 3.067 137 T HA 0.046 4.396 4.350 -0.000 0.000 0.257 137 T C 0.276 174.944 174.700 -0.054 0.000 1.105 137 T CA 0.046 62.113 62.100 -0.055 0.000 1.104 137 T CB 0.142 68.996 68.868 -0.023 0.000 0.925 137 T HN 0.556 nan 8.240 nan 0.000 0.498 138 D N 0.732 121.082 120.400 -0.083 0.000 2.966 138 D HA 0.258 4.898 4.640 -0.000 0.000 0.222 138 D C 0.023 176.296 176.300 -0.046 0.000 1.292 138 D CA -0.656 53.316 54.000 -0.046 0.000 0.907 138 D CB 2.296 43.071 40.800 -0.041 0.000 1.621 138 D HN 0.077 nan 8.370 nan 0.000 0.557 139 V N 1.535 121.464 119.914 0.026 0.000 3.176 139 V HA 0.357 4.477 4.120 -0.000 0.000 0.332 139 V C 0.492 176.674 176.094 0.146 0.000 1.414 139 V CA 0.161 62.506 62.300 0.076 0.000 1.133 139 V CB -0.325 31.616 31.823 0.197 0.000 1.088 139 V HN 0.440 nan 8.190 nan 0.000 0.473 140 S N -0.858 114.896 115.700 0.089 0.000 2.603 140 S HA 0.334 4.804 4.470 -0.000 0.000 0.268 140 S C 0.807 175.470 174.600 0.105 0.000 1.317 140 S CA 0.205 58.469 58.200 0.107 0.000 1.012 140 S CB 0.840 64.074 63.200 0.056 0.000 0.926 140 S HN 0.485 nan 8.310 nan 0.000 0.539 141 Y N 2.437 122.754 120.300 0.028 0.000 2.069 141 Y HA -0.281 4.269 4.550 -0.000 0.000 0.278 141 Y C 2.123 178.030 175.900 0.011 0.000 1.175 141 Y CA 2.625 60.736 58.100 0.018 0.000 1.134 141 Y CB -0.491 37.973 38.460 0.007 0.000 0.965 141 Y HN 0.715 nan 8.280 nan 0.000 0.498 142 N N -0.309 118.446 118.700 0.091 0.000 2.333 142 N HA -0.053 4.687 4.740 -0.000 0.000 0.178 142 N C 2.020 177.503 175.510 -0.045 0.000 1.018 142 N CA 1.100 54.149 53.050 -0.001 0.000 0.882 142 N CB -0.779 37.761 38.487 0.090 0.000 0.984 142 N HN 0.539 nan 8.380 nan 0.000 0.434 143 G N 1.742 110.529 108.800 -0.020 0.000 2.432 143 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 143 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 143 G C 1.653 176.513 174.900 -0.065 0.000 1.135 143 G CA 0.288 45.368 45.100 -0.034 0.000 0.767 143 G HN 0.223 nan 8.290 nan 0.000 0.550 144 L N 0.200 121.368 121.223 -0.091 0.000 2.127 144 L HA -0.114 4.226 4.340 -0.000 0.000 0.211 144 L C 2.820 179.629 176.870 -0.101 0.000 1.089 144 L CA 0.627 55.400 54.840 -0.113 0.000 0.757 144 L CB -0.417 41.561 42.059 -0.135 0.000 0.899 144 L HN 0.167 nan 8.230 nan 0.000 0.434 145 M N -1.030 118.506 119.600 -0.106 0.000 2.530 145 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 145 M C 1.824 178.093 176.300 -0.051 0.000 1.067 145 M CA 1.248 56.498 55.300 -0.083 0.000 1.071 145 M CB -1.080 31.470 32.600 -0.084 0.000 1.405 145 M HN 0.117 nan 8.290 nan 0.000 0.478 146 S N -0.296 115.377 115.700 -0.045 0.000 2.539 146 S HA 0.326 4.796 4.470 -0.000 0.000 0.221 146 S C 1.798 176.394 174.600 -0.008 0.000 0.987 146 S CA 0.316 58.502 58.200 -0.023 0.000 0.929 146 S CB 0.213 63.401 63.200 -0.020 0.000 0.832 146 S HN 0.498 nan 8.310 nan 0.000 0.492 147 A N 1.444 124.251 122.820 -0.020 0.000 2.076 147 A HA 0.029 4.348 4.320 -0.000 0.000 0.220 147 A C 1.359 179.028 177.584 0.141 0.000 1.160 147 A CA 1.454 53.499 52.037 0.014 0.000 0.653 147 A CB -0.158 18.791 19.000 -0.084 0.000 0.801 147 A HN 0.414 nan 8.150 nan 0.000 0.455 148 T N -3.958 110.643 114.554 0.078 0.000 2.896 148 T HA 0.566 4.916 4.350 -0.000 0.000 0.297 148 T C 0.305 175.017 174.700 0.019 0.000 1.108 148 T CA 0.090 62.231 62.100 0.068 0.000 1.004 148 T CB 1.738 70.640 68.868 0.056 0.000 1.159 148 T HN 0.454 nan 8.240 nan 0.000 0.499 149 A N 2.651 125.476 122.820 0.008 0.000 2.267 149 A HA 0.328 4.648 4.320 -0.000 0.000 0.213 149 A C 0.622 178.192 177.584 -0.022 0.000 1.192 149 A CA -0.144 51.888 52.037 -0.007 0.000 0.851 149 A CB -0.213 18.784 19.000 -0.006 0.000 0.881 149 A HN 0.722 nan 8.150 nan 0.000 0.494 150 N N 0.824 119.507 118.700 -0.028 0.000 2.431 150 N HA 0.105 4.845 4.740 -0.000 0.000 0.265 150 N C 0.639 176.112 175.510 -0.061 0.000 1.184 150 N CA -0.222 52.800 53.050 -0.047 0.000 0.943 150 N CB 1.140 39.593 38.487 -0.056 0.000 1.080 150 N HN 0.218 nan 8.380 nan 0.000 0.477 151 I N 2.343 122.873 120.570 -0.065 0.000 2.423 151 I HA -0.186 3.984 4.170 -0.000 0.000 0.254 151 I C 1.105 177.152 176.117 -0.117 0.000 1.151 151 I CA 1.313 62.566 61.300 -0.077 0.000 1.421 151 I CB -0.101 37.859 38.000 -0.066 0.000 1.079 151 I HN 0.403 nan 8.210 nan 0.000 0.431 152 N N 0.595 119.212 118.700 -0.139 0.000 2.370 152 N HA 0.001 4.741 4.740 -0.000 0.000 0.198 152 N C 0.107 175.485 175.510 -0.221 0.000 1.156 152 N CA 0.433 53.353 53.050 -0.216 0.000 0.839 152 N CB -0.017 38.331 38.487 -0.232 0.000 0.989 152 N HN 0.440 nan 8.380 nan 0.000 0.468 153 D N 0.396 120.707 120.400 -0.148 0.000 2.571 153 D HA 0.093 4.733 4.640 -0.000 0.000 0.239 153 D C -0.006 176.239 176.300 -0.092 0.000 1.267 153 D CA 0.148 54.076 54.000 -0.119 0.000 0.823 153 D CB 0.784 41.539 40.800 -0.074 0.000 1.056 153 D HN 0.393 nan 8.370 nan 0.000 0.494 154 K N -0.331 120.004 120.400 -0.107 0.000 2.551 154 K HA 0.685 5.005 4.320 -0.000 0.000 0.269 154 K C -1.483 175.062 176.600 -0.091 0.000 0.949 154 K CA -0.917 55.320 56.287 -0.083 0.000 0.849 154 K CB 2.570 35.030 32.500 -0.067 0.000 1.411 154 K HN -0.155 nan 8.250 nan 0.000 0.432 155 I N 0.486 121.013 120.570 -0.070 0.000 2.680 155 I HA 0.531 4.700 4.170 -0.000 0.000 0.291 155 I C -1.319 174.774 176.117 -0.040 0.000 1.244 155 I CA 0.052 61.323 61.300 -0.050 0.000 1.042 155 I CB 2.430 40.411 38.000 -0.033 0.000 1.277 155 I HN 0.883 nan 8.210 nan 0.000 0.423 156 G N 4.059 112.845 108.800 -0.023 0.000 2.482 156 G HA2 0.434 4.394 3.960 -0.000 0.000 0.317 156 G HA3 0.434 4.394 3.960 -0.000 0.000 0.317 156 G C -0.546 174.376 174.900 0.037 0.000 1.241 156 G CA -0.578 44.510 45.100 -0.019 0.000 0.967 156 G HN 0.663 nan 8.290 nan 0.000 0.482 157 N N -0.691 118.059 118.700 0.084 0.000 2.714 157 N HA -0.163 4.576 4.740 -0.000 0.000 0.252 157 N C 0.278 175.860 175.510 0.120 0.000 1.014 157 N CA 0.675 53.817 53.050 0.153 0.000 0.735 157 N CB -0.945 37.622 38.487 0.134 0.000 0.924 157 N HN 0.393 nan 8.380 nan 0.000 0.540 158 V N 0.920 120.905 119.914 0.119 0.000 2.649 158 V HA 0.166 4.285 4.120 -0.000 0.000 0.292 158 V C 1.369 177.529 176.094 0.111 0.000 1.055 158 V CA -0.623 61.739 62.300 0.103 0.000 1.023 158 V CB 1.205 33.088 31.823 0.101 0.000 0.992 158 V HN 0.170 nan 8.190 nan 0.000 0.480 159 L N 4.886 126.161 121.223 0.087 0.000 2.455 159 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 159 L C 1.526 178.441 176.870 0.075 0.000 1.174 159 L CA -0.224 54.661 54.840 0.076 0.000 0.869 159 L CB 0.818 42.911 42.059 0.057 0.000 1.130 159 L HN 0.734 nan 8.230 nan 0.000 0.474 160 V N 0.934 120.892 119.914 0.073 0.000 2.453 160 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 160 V C 2.143 178.257 176.094 0.035 0.000 1.068 160 V CA 1.986 64.321 62.300 0.057 0.000 1.070 160 V CB -1.412 30.430 31.823 0.032 0.000 0.664 160 V HN 1.024 nan 8.190 nan 0.000 0.461 161 G N 0.023 108.841 108.800 0.030 0.000 2.422 161 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 161 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 161 G C 1.507 176.425 174.900 0.030 0.000 1.146 161 G CA 0.843 45.956 45.100 0.023 0.000 0.769 161 G HN 0.611 nan 8.290 nan 0.000 0.547 162 E N 0.288 120.513 120.200 0.042 0.000 2.072 162 E HA 0.201 4.551 4.350 -0.000 0.000 0.190 162 E C 1.529 178.163 176.600 0.055 0.000 0.982 162 E CA 0.595 57.024 56.400 0.048 0.000 0.803 162 E CB -0.156 29.578 29.700 0.057 0.000 0.755 162 E HN 0.465 nan 8.360 nan 0.000 0.453 163 G N 0.853 109.691 108.800 0.063 0.000 2.746 163 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.685 163 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.685 163 G C -0.850 174.102 174.900 0.086 0.000 1.350 163 G CA -0.248 44.893 45.100 0.069 0.000 0.837 163 G HN 0.290 nan 8.290 nan 0.000 0.564 164 V N 0.096 120.061 119.914 0.086 0.000 2.769 164 V HA 0.906 5.026 4.120 -0.000 0.000 0.312 164 V C 0.221 176.348 176.094 0.055 0.000 1.061 164 V CA 0.251 62.608 62.300 0.095 0.000 0.931 164 V CB 2.309 34.194 31.823 0.103 0.000 1.010 164 V HN 1.420 nan 8.190 nan 0.000 0.433 165 T N 5.219 119.802 114.554 0.049 0.000 2.792 165 T HA 0.533 4.883 4.350 -0.000 0.000 0.280 165 T C -0.645 174.004 174.700 -0.085 0.000 0.990 165 T CA -0.260 61.780 62.100 -0.101 0.000 0.960 165 T CB 1.381 70.059 68.868 -0.317 0.000 0.939 165 T HN 0.548 nan 8.240 nan 0.000 0.439 166 V N 4.803 124.601 119.914 -0.195 0.000 2.407 166 V HA 0.481 4.600 4.120 -0.000 0.000 0.278 166 V C -0.335 175.622 176.094 -0.228 0.000 1.037 166 V CA -0.734 61.450 62.300 -0.193 0.000 0.900 166 V CB 1.211 32.816 31.823 -0.363 0.000 0.983 166 V HN 0.623 nan 8.190 nan 0.000 0.459 167 L N 4.785 125.939 121.223 -0.116 0.000 2.341 167 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 167 L C 0.124 176.953 176.870 -0.069 0.000 1.005 167 L CA 0.226 54.994 54.840 -0.121 0.000 0.818 167 L CB 2.067 44.123 42.059 -0.005 0.000 1.259 167 L HN 0.620 nan 8.230 nan 0.000 0.418 168 S N 5.545 121.198 115.700 -0.077 0.000 2.465 168 S HA 0.612 5.081 4.470 -0.000 0.000 0.279 168 S C -0.518 174.071 174.600 -0.018 0.000 1.201 168 S CA -0.517 57.657 58.200 -0.043 0.000 1.053 168 S CB -0.188 62.988 63.200 -0.040 0.000 0.953 168 S HN 0.585 nan 8.310 nan 0.000 0.488 169 L N 6.600 127.813 121.223 -0.018 0.000 2.334 169 L HA 0.556 4.895 4.340 -0.000 0.000 0.276 169 L C -1.716 175.128 176.870 -0.042 0.000 1.014 169 L CA -2.351 52.482 54.840 -0.011 0.000 0.815 169 L CB 1.604 43.651 42.059 -0.021 0.000 1.268 169 L HN 0.546 nan 8.230 nan 0.000 0.428 170 P HA 0.002 nan 4.420 nan 0.000 0.265 170 P C -0.362 176.796 177.300 -0.237 0.000 1.187 170 P CA -0.007 62.953 63.100 -0.234 0.000 0.766 170 P CB 0.494 31.869 31.700 -0.542 0.000 0.820 171 T N -1.834 112.569 114.554 -0.252 0.000 3.514 171 T HA 0.473 4.823 4.350 -0.000 0.000 0.259 171 T C -0.180 174.360 174.700 -0.267 0.000 1.466 171 T CA -0.592 61.383 62.100 -0.209 0.000 1.562 171 T CB -0.833 67.949 68.868 -0.143 0.000 0.924 171 T HN 0.719 nan 8.240 nan 0.000 0.678 172 S N 0.417 115.909 115.700 -0.346 0.000 2.978 172 S HA -0.082 4.388 4.470 -0.000 0.000 0.855 172 S C -1.056 173.292 174.600 -0.421 0.000 0.951 172 S CA -0.773 57.233 58.200 -0.324 0.000 1.377 172 S CB -0.941 62.124 63.200 -0.226 0.000 0.983 172 S HN 0.674 nan 8.310 nan 0.000 0.235 173 Y N 1.695 121.956 120.300 -0.066 0.000 2.699 173 Y HA 0.498 5.047 4.550 -0.000 0.000 0.326 173 Y C 1.140 176.996 175.900 -0.073 0.000 1.141 173 Y CA -0.238 57.820 58.100 -0.070 0.000 1.246 173 Y CB 0.680 39.098 38.460 -0.069 0.000 1.426 173 Y HN 0.822 nan 8.280 nan 0.000 0.559 174 D N 0.767 121.259 120.400 0.152 0.000 2.772 174 D HA -0.183 4.457 4.640 -0.000 0.000 0.233 174 D C -1.065 175.254 176.300 0.032 0.000 1.143 174 D CA 0.743 54.781 54.000 0.063 0.000 0.700 174 D CB -1.027 39.800 40.800 0.045 0.000 1.076 174 D HN 0.267 nan 8.370 nan 0.000 0.430 175 L N -0.032 121.205 121.223 0.023 0.000 2.395 175 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 175 L C 1.796 178.727 176.870 0.101 0.000 1.133 175 L CA -0.093 54.737 54.840 -0.016 0.000 0.812 175 L CB 1.013 43.001 42.059 -0.119 0.000 1.125 175 L HN 0.032 nan 8.230 nan 0.000 0.452 176 G N 0.499 109.420 108.800 0.202 0.000 2.599 176 G HA2 0.226 4.186 3.960 -0.000 0.000 0.264 176 G HA3 0.226 4.186 3.960 -0.000 0.000 0.264 176 G C -0.981 174.074 174.900 0.258 0.000 1.200 176 G CA -0.341 44.901 45.100 0.237 0.000 0.896 176 G HN 0.334 nan 8.290 nan 0.000 0.536 177 Y N -0.885 119.471 120.300 0.094 0.000 2.411 177 Y HA 0.291 4.841 4.550 -0.000 0.000 0.333 177 Y C 0.829 176.783 175.900 0.091 0.000 1.186 177 Y CA 0.156 58.306 58.100 0.084 0.000 1.381 177 Y CB 1.242 39.717 38.460 0.026 0.000 1.273 177 Y HN 0.140 nan 8.280 nan 0.000 0.546 178 V N 4.812 124.790 119.914 0.107 0.000 2.472 178 V HA 0.370 4.489 4.120 -0.000 0.000 0.290 178 V C -0.062 176.080 176.094 0.079 0.000 1.037 178 V CA -1.128 61.126 62.300 -0.077 0.000 0.908 178 V CB 1.531 33.045 31.823 -0.516 0.000 0.985 178 V HN 0.582 nan 8.190 nan 0.000 0.454 179 R N 2.992 123.494 120.500 0.003 0.000 2.543 179 R HA 0.265 4.605 4.340 -0.000 0.000 0.277 179 R C 0.566 176.746 176.300 -0.201 0.000 1.074 179 R CA 0.233 56.156 56.100 -0.296 0.000 1.076 179 R CB 0.336 30.480 30.300 -0.260 0.000 0.993 179 R HN 0.699 nan 8.270 nan 0.000 0.459 180 L N 3.139 124.233 121.223 -0.215 0.000 2.591 180 L HA 0.222 4.562 4.340 -0.000 0.000 0.228 180 L C 1.063 177.897 176.870 -0.059 0.000 1.133 180 L CA 0.776 55.553 54.840 -0.106 0.000 0.880 180 L CB 0.134 42.151 42.059 -0.070 0.000 1.033 180 L HN 1.103 nan 8.230 nan 0.000 0.450 181 G N 0.640 109.391 108.800 -0.082 0.000 2.149 181 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.235 181 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.235 181 G C -0.038 174.836 174.900 -0.043 0.000 1.018 181 G CA 0.200 45.275 45.100 -0.042 0.000 0.728 181 G HN 0.538 nan 8.290 nan 0.000 0.508 182 D N 0.462 120.818 120.400 -0.073 0.000 2.399 182 D HA 0.339 4.979 4.640 -0.000 0.000 0.241 182 D C -2.084 174.185 176.300 -0.052 0.000 1.133 182 D CA -1.219 52.745 54.000 -0.061 0.000 0.890 182 D CB 1.483 42.232 40.800 -0.085 0.000 1.201 182 D HN 0.251 nan 8.370 nan 0.000 0.432 183 P HA 0.180 nan 4.420 nan 0.000 0.275 183 P C 0.007 177.285 177.300 -0.036 0.000 1.228 183 P CA -0.362 62.719 63.100 -0.031 0.000 0.786 183 P CB 0.992 32.678 31.700 -0.023 0.000 0.927 184 I N -0.298 120.254 120.570 -0.032 0.000 2.822 184 I HA 0.629 4.799 4.170 -0.000 0.000 0.312 184 I C -2.518 173.586 176.117 -0.022 0.000 1.011 184 I CA -3.395 57.887 61.300 -0.029 0.000 1.105 184 I CB 0.835 38.817 38.000 -0.029 0.000 1.291 184 I HN 0.048 nan 8.210 nan 0.000 0.474 185 P HA 0.393 nan 4.420 nan 0.000 0.271 185 P C -1.013 176.279 177.300 -0.013 0.000 1.233 185 P CA 0.097 63.188 63.100 -0.015 0.000 0.764 185 P CB 0.781 32.472 31.700 -0.014 0.000 0.825 186 A N 3.425 126.238 122.820 -0.012 0.000 2.604 186 A HA 0.780 5.100 4.320 -0.000 0.000 0.295 186 A C -1.134 176.445 177.584 -0.008 0.000 1.067 186 A CA -0.660 51.371 52.037 -0.010 0.000 0.683 186 A CB 1.176 20.170 19.000 -0.011 0.000 1.281 186 A HN 0.541 nan 8.150 nan 0.000 0.407 187 I N -1.085 119.481 120.570 -0.007 0.000 2.647 187 I HA 0.954 5.124 4.170 -0.000 0.000 0.295 187 I C -0.016 176.098 176.117 -0.005 0.000 1.078 187 I CA -0.872 60.424 61.300 -0.006 0.000 1.048 187 I CB 2.282 40.279 38.000 -0.006 0.000 1.239 187 I HN 0.986 nan 8.210 nan 0.000 0.421 188 G N 3.873 112.671 108.800 -0.005 0.000 2.692 188 G HA2 0.473 4.433 3.960 -0.000 0.000 0.291 188 G HA3 0.473 4.433 3.960 -0.000 0.000 0.291 188 G C -0.033 174.865 174.900 -0.004 0.000 1.423 188 G CA -0.895 44.202 45.100 -0.004 0.000 0.843 188 G HN 0.704 nan 8.290 nan 0.000 0.486 189 L N -0.461 120.760 121.223 -0.003 0.000 2.131 189 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 189 L C 0.868 177.736 176.870 -0.003 0.000 1.092 189 L CA 0.795 55.633 54.840 -0.003 0.000 0.759 189 L CB 0.020 42.077 42.059 -0.003 0.000 0.903 189 L HN 0.381 nan 8.230 nan 0.000 0.435 190 D N -0.186 120.212 120.400 -0.003 0.000 2.277 190 D HA 0.118 4.758 4.640 -0.000 0.000 0.249 190 D C -1.732 174.567 176.300 -0.002 0.000 1.134 190 D CA -1.915 52.083 54.000 -0.002 0.000 0.863 190 D CB 1.930 42.728 40.800 -0.002 0.000 1.143 190 D HN -0.137 nan 8.370 nan 0.000 0.458 191 P HA 0.000 nan 4.420 nan 0.000 0.221 191 P C 0.533 177.833 177.300 0.000 0.000 1.150 191 P CA 0.877 63.977 63.100 -0.001 0.000 0.800 191 P CB 0.328 32.028 31.700 0.000 0.000 0.787 192 K N -1.017 119.383 120.400 0.000 0.000 2.522 192 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 192 K C 0.853 177.454 176.600 0.001 0.000 1.026 192 K CA -0.113 56.175 56.287 0.001 0.000 1.119 192 K CB -0.235 32.267 32.500 0.002 0.000 0.856 192 K HN 0.254 nan 8.250 nan 0.000 0.513 193 M N 2.219 121.819 119.600 -0.001 0.000 2.248 193 M HA 0.021 4.501 4.480 -0.000 0.000 0.345 193 M C -0.909 175.390 176.300 -0.003 0.000 1.243 193 M CA 0.662 55.961 55.300 -0.002 0.000 1.090 193 M CB 0.499 33.097 32.600 -0.003 0.000 1.683 193 M HN -0.215 nan 8.290 nan 0.000 0.450 194 V N 4.511 124.423 119.914 -0.003 0.000 2.709 194 V HA 0.827 4.947 4.120 -0.000 0.000 0.308 194 V C -0.579 175.511 176.094 -0.007 0.000 1.062 194 V CA -0.897 61.400 62.300 -0.004 0.000 0.901 194 V CB 1.569 33.392 31.823 -0.001 0.000 1.003 194 V HN 0.959 nan 8.190 nan 0.000 0.425 195 A N 3.022 125.835 122.820 -0.011 0.000 2.375 195 A HA 0.933 5.253 4.320 -0.000 0.000 0.295 195 A C -0.252 177.318 177.584 -0.022 0.000 1.066 195 A CA -0.307 51.720 52.037 -0.016 0.000 0.722 195 A CB 1.730 20.721 19.000 -0.016 0.000 1.206 195 A HN 1.025 nan 8.150 nan 0.000 0.435 196 T N -1.944 112.593 114.554 -0.028 0.000 2.883 196 T HA 0.578 4.928 4.350 -0.000 0.000 0.296 196 T C -0.744 173.924 174.700 -0.053 0.000 1.117 196 T CA -0.718 61.359 62.100 -0.038 0.000 1.006 196 T CB 1.370 70.220 68.868 -0.031 0.000 1.191 196 T HN 1.127 nan 8.240 nan 0.000 0.508 197 C N 2.513 121.772 119.300 -0.069 0.000 2.251 197 C HA 0.614 5.074 4.460 -0.000 0.000 0.323 197 C C -0.605 174.327 174.990 -0.097 0.000 1.241 197 C CA -0.424 58.543 59.018 -0.086 0.000 1.601 197 C CB -1.407 26.271 27.740 -0.104 0.000 2.251 197 C HN 0.852 nan 8.230 nan 0.000 0.488 198 D N 2.917 123.264 120.400 -0.088 0.000 2.332 198 D HA 0.276 4.916 4.640 -0.000 0.000 0.252 198 D C 0.010 176.275 176.300 -0.059 0.000 1.050 198 D CA 0.033 53.992 54.000 -0.068 0.000 0.970 198 D CB 1.479 42.248 40.800 -0.050 0.000 1.141 198 D HN 0.513 nan 8.370 nan 0.000 0.485 199 S N -0.121 115.555 115.700 -0.040 0.000 2.546 199 S HA 0.132 4.602 4.470 -0.000 0.000 0.290 199 S C 1.077 175.687 174.600 0.016 0.000 1.262 199 S CA -0.071 58.099 58.200 -0.049 0.000 1.083 199 S CB 0.239 63.394 63.200 -0.076 0.000 0.859 199 S HN 0.524 nan 8.310 nan 0.000 0.495 200 S N 1.502 117.216 115.700 0.024 0.000 2.918 200 S HA 0.133 4.603 4.470 -0.000 0.000 0.264 200 S C -0.349 174.304 174.600 0.088 0.000 1.078 200 S CA -0.521 57.724 58.200 0.074 0.000 0.918 200 S CB -0.431 62.786 63.200 0.027 0.000 0.882 200 S HN 0.559 nan 8.310 nan 0.000 0.466 201 D N 3.420 123.867 120.400 0.079 0.000 2.571 201 D HA 0.239 4.879 4.640 -0.000 0.000 0.231 201 D C 0.101 176.477 176.300 0.127 0.000 1.133 201 D CA 0.754 54.817 54.000 0.104 0.000 0.862 201 D CB -0.001 40.877 40.800 0.131 0.000 1.179 201 D HN 0.189 nan 8.370 nan 0.000 0.474 202 R N -0.234 120.328 120.500 0.103 0.000 3.201 202 R HA -0.108 4.232 4.340 -0.000 0.000 0.254 202 R C -2.444 173.895 176.300 0.065 0.000 0.978 202 R CA -0.032 56.118 56.100 0.085 0.000 0.661 202 R CB -1.802 28.572 30.300 0.124 0.000 1.170 202 R HN 0.460 nan 8.270 nan 0.000 0.430 203 P HA 0.055 nan 4.420 nan 0.000 0.272 203 P C -0.311 176.969 177.300 -0.034 0.000 1.223 203 P CA -0.058 63.056 63.100 0.024 0.000 0.784 203 P CB 0.728 32.451 31.700 0.038 0.000 0.923 204 R N 1.275 121.730 120.500 -0.074 0.000 2.407 204 R HA 0.542 4.882 4.340 -0.000 0.000 0.303 204 R C -1.422 174.754 176.300 -0.207 0.000 0.981 204 R CA -0.738 55.262 56.100 -0.167 0.000 0.905 204 R CB 1.006 31.189 30.300 -0.196 0.000 1.099 204 R HN 0.262 nan 8.270 nan 0.000 0.459 205 V N 5.234 124.986 119.914 -0.269 0.000 2.531 205 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 205 V C -1.308 174.627 176.094 -0.266 0.000 1.034 205 V CA -0.702 61.479 62.300 -0.197 0.000 0.865 205 V CB 1.543 33.304 31.823 -0.104 0.000 0.995 205 V HN 0.697 nan 8.190 nan 0.000 0.424 206 Y N 1.718 121.989 120.300 -0.050 0.000 2.360 206 Y HA 0.614 5.164 4.550 -0.000 0.000 0.337 206 Y C 0.706 176.558 175.900 -0.081 0.000 1.039 206 Y CA -0.531 57.536 58.100 -0.056 0.000 1.109 206 Y CB 2.181 40.612 38.460 -0.047 0.000 1.201 206 Y HN 0.492 nan 8.280 nan 0.000 0.458 207 T N 5.271 119.859 114.554 0.057 0.000 2.786 207 T HA 0.579 4.928 4.350 -0.000 0.000 0.283 207 T C -0.572 174.073 174.700 -0.091 0.000 0.992 207 T CA -0.507 61.572 62.100 -0.035 0.000 0.954 207 T CB 0.221 69.061 68.868 -0.047 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.865 123.325 120.570 -0.183 0.000 2.410 208 I HA 0.278 4.448 4.170 -0.000 0.000 0.286 208 I C 0.197 176.120 176.117 -0.324 0.000 1.009 208 I CA -0.677 60.433 61.300 -0.318 0.000 1.111 208 I CB 1.892 39.560 38.000 -0.553 0.000 1.262 208 I HN 0.451 nan 8.210 nan 0.000 0.443 209 T N 5.756 120.157 114.554 -0.255 0.000 2.891 209 T HA 0.254 4.604 4.350 -0.000 0.000 0.315 209 T C 1.129 175.693 174.700 -0.227 0.000 1.054 209 T CA -0.282 61.700 62.100 -0.197 0.000 0.958 209 T CB 1.233 70.028 68.868 -0.122 0.000 1.008 209 T HN 0.762 nan 8.240 nan 0.000 0.521 210 A N 3.013 125.683 122.820 -0.250 0.000 1.969 210 A HA 0.543 4.863 4.320 -0.000 0.000 0.218 210 A C 1.224 178.779 177.584 -0.049 0.000 1.169 210 A CA 0.716 52.653 52.037 -0.166 0.000 0.635 210 A CB 0.065 19.069 19.000 0.008 0.000 0.810 210 A HN 0.881 nan 8.150 nan 0.000 0.445 211 A N -0.995 121.801 122.820 -0.040 0.000 2.566 211 A HA 0.546 4.866 4.320 -0.000 0.000 0.297 211 A C -1.937 175.659 177.584 0.020 0.000 1.059 211 A CA -0.330 51.722 52.037 0.025 0.000 0.691 211 A CB 1.078 20.129 19.000 0.084 0.000 1.282 211 A HN 0.028 nan 8.150 nan 0.000 0.401 212 D N 1.991 122.432 120.400 0.068 0.000 2.378 212 D HA 0.389 5.029 4.640 -0.000 0.000 0.265 212 D C -0.604 175.749 176.300 0.089 0.000 1.229 212 D CA 0.323 54.351 54.000 0.047 0.000 0.914 212 D CB 0.279 41.097 40.800 0.030 0.000 1.140 212 D HN 0.479 nan 8.370 nan 0.000 0.516 213 D N 2.018 122.468 120.400 0.084 0.000 2.723 213 D HA -0.292 4.348 4.640 -0.000 0.000 0.236 213 D C -0.566 175.823 176.300 0.148 0.000 1.138 213 D CA 0.510 54.571 54.000 0.101 0.000 0.676 213 D CB -1.323 39.522 40.800 0.075 0.000 1.069 213 D HN 0.484 nan 8.370 nan 0.000 0.430 214 Y N 1.256 121.611 120.300 0.092 0.000 2.442 214 Y HA 0.179 4.729 4.550 -0.000 0.000 0.330 214 Y C 0.457 176.441 175.900 0.140 0.000 1.129 214 Y CA 0.090 58.262 58.100 0.120 0.000 1.365 214 Y CB 0.636 39.196 38.460 0.168 0.000 1.233 214 Y HN -0.065 nan 8.280 nan 0.000 0.529 215 Q N 7.553 126.935 119.800 -0.696 0.000 2.303 215 Q HA 0.192 4.532 4.340 -0.000 0.000 0.257 215 Q C -1.425 174.044 176.000 -0.885 0.000 0.941 215 Q CA -0.454 55.011 55.803 -0.563 0.000 0.931 215 Q CB 1.578 30.110 28.738 -0.342 0.000 1.215 215 Q HN 0.721 nan 8.270 nan 0.000 0.437 216 F N 1.587 120.982 119.950 -0.925 0.000 2.427 216 F HA 0.515 5.042 4.527 -0.000 0.000 0.346 216 F C -0.628 174.764 175.800 -0.681 0.000 1.120 216 F CA -0.563 56.833 58.000 -1.006 0.000 1.033 216 F CB 1.609 39.420 39.000 -1.982 0.000 1.126 216 F HN 0.348 nan 8.300 nan 0.000 0.462 217 S N 4.290 119.141 115.700 -1.414 0.000 2.572 217 S HA 0.727 5.197 4.470 -0.000 0.000 0.274 217 S C -1.414 172.619 174.600 -0.946 0.000 1.150 217 S CA -0.401 57.187 58.200 -1.021 0.000 0.944 217 S CB 1.333 64.229 63.200 -0.507 0.000 1.071 217 S HN 0.924 nan 8.310 nan 0.000 0.479 218 S N 2.799 118.098 115.700 -0.668 0.000 2.558 218 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 218 S C -1.835 172.683 174.600 -0.136 0.000 1.143 218 S CA -0.606 57.375 58.200 -0.364 0.000 0.865 218 S CB 1.416 64.417 63.200 -0.332 0.000 1.102 218 S HN 0.711 nan 8.310 nan 0.000 0.454 219 Q N 2.270 122.031 119.800 -0.065 0.000 2.361 219 Q HA 0.129 4.469 4.340 -0.000 0.000 0.276 219 Q C -0.356 175.690 176.000 0.076 0.000 1.022 219 Q CA 0.197 56.012 55.803 0.020 0.000 0.898 219 Q CB 0.365 29.114 28.738 0.017 0.000 1.246 219 Q HN 0.765 nan 8.270 nan 0.000 0.410 220 Y N 2.074 122.385 120.300 0.018 0.000 2.641 220 Y HA -0.065 4.485 4.550 -0.000 0.000 0.351 220 Y C -0.154 175.770 175.900 0.040 0.000 1.269 220 Y CA 0.658 58.784 58.100 0.043 0.000 1.485 220 Y CB 0.547 39.030 38.460 0.038 0.000 1.364 220 Y HN 0.606 nan 8.280 nan 0.000 0.651 221 Q N 3.135 122.170 119.800 -1.275 0.000 2.430 221 Q HA 0.283 4.623 4.340 -0.000 0.000 0.253 221 Q C -1.549 173.828 176.000 -1.038 0.000 0.945 221 Q CA -0.593 54.672 55.803 -0.897 0.000 0.964 221 Q CB 1.101 29.645 28.738 -0.325 0.000 1.460 221 Q HN 0.890 nan 8.270 nan 0.000 0.428 222 S N 1.657 116.957 115.700 -0.667 0.000 2.552 222 S HA 0.472 4.942 4.470 -0.000 0.000 0.289 222 S C 1.169 175.677 174.600 -0.153 0.000 1.304 222 S CA 0.729 58.791 58.200 -0.230 0.000 1.063 222 S CB 0.961 64.168 63.200 0.012 0.000 0.848 222 S HN 1.509 nan 8.310 nan 0.000 0.499 223 G N 1.720 110.474 108.800 -0.076 0.000 2.258 223 G HA2 0.277 4.236 3.960 -0.000 0.000 0.233 223 G HA3 0.277 4.236 3.960 -0.000 0.000 0.233 223 G C 0.975 175.848 174.900 -0.044 0.000 1.006 223 G CA 0.190 45.264 45.100 -0.044 0.000 0.620 223 G HN 2.573 nan 8.290 nan 0.000 0.511 224 G N -2.214 106.536 108.800 -0.084 0.000 2.663 224 G HA2 0.331 4.291 3.960 -0.000 0.000 0.686 224 G HA3 0.331 4.291 3.960 -0.000 0.000 0.686 224 G C -0.598 174.296 174.900 -0.011 0.000 1.288 224 G CA 0.059 45.139 45.100 -0.033 0.000 0.836 224 G HN 1.543 nan 8.290 nan 0.000 0.584 225 V N 0.824 120.771 119.914 0.055 0.000 2.487 225 V HA 0.692 4.812 4.120 -0.000 0.000 0.298 225 V C 0.555 176.704 176.094 0.092 0.000 1.028 225 V CA -0.281 62.079 62.300 0.100 0.000 0.860 225 V CB 1.761 33.720 31.823 0.227 0.000 0.991 225 V HN 1.020 nan 8.190 nan 0.000 0.427 226 T N 6.704 121.300 114.554 0.069 0.000 2.829 226 T HA 0.736 5.086 4.350 -0.000 0.000 0.282 226 T C -0.244 174.501 174.700 0.075 0.000 0.990 226 T CA -0.101 62.030 62.100 0.051 0.000 1.028 226 T CB 0.859 69.746 68.868 0.031 0.000 0.951 226 T HN 0.672 nan 8.240 nan 0.000 0.460 227 I N -0.763 119.847 120.570 0.066 0.000 2.934 227 I HA 0.678 4.848 4.170 -0.000 0.000 0.306 227 I C -0.724 175.421 176.117 0.048 0.000 1.110 227 I CA -0.914 60.440 61.300 0.090 0.000 1.019 227 I CB 2.574 40.670 38.000 0.161 0.000 1.227 227 I HN 0.327 nan 8.210 nan 0.000 0.434 228 T N 4.759 119.327 114.554 0.023 0.000 2.853 228 T HA 0.254 4.603 4.350 -0.000 0.000 0.317 228 T C 0.727 175.407 174.700 -0.033 0.000 1.059 228 T CA -0.288 61.791 62.100 -0.034 0.000 0.954 228 T CB 1.116 69.943 68.868 -0.068 0.000 0.994 228 T HN 0.581 nan 8.240 nan 0.000 0.479 229 L N 4.366 125.569 121.223 -0.033 0.000 2.042 229 L HA 0.174 4.514 4.340 -0.000 0.000 0.210 229 L C 0.243 177.145 176.870 0.053 0.000 1.076 229 L CA 1.916 56.761 54.840 0.008 0.000 0.749 229 L CB -0.395 41.729 42.059 0.108 0.000 0.893 229 L HN 0.729 nan 8.230 nan 0.000 0.432 230 F N -3.484 116.458 119.950 -0.014 0.000 2.773 230 F HA 0.598 5.125 4.527 -0.000 0.000 0.314 230 F C -0.801 174.992 175.800 -0.012 0.000 1.160 230 F CA -0.866 57.117 58.000 -0.028 0.000 0.920 230 F CB 0.608 39.582 39.000 -0.044 0.000 1.323 230 F HN -0.277 nan 8.300 nan 0.000 0.457 231 S N 1.351 117.180 115.700 0.214 0.000 2.572 231 S HA 0.906 5.376 4.470 -0.000 0.000 0.274 231 S C -1.524 173.231 174.600 0.259 0.000 1.150 231 S CA 0.234 58.503 58.200 0.115 0.000 0.944 231 S CB 1.123 64.322 63.200 -0.002 0.000 1.071 231 S HN 1.860 nan 8.310 nan 0.000 0.479 232 A N 3.787 126.747 122.820 0.233 0.000 2.498 232 A HA 0.771 5.091 4.320 -0.000 0.000 0.298 232 A C -1.097 176.488 177.584 0.002 0.000 1.075 232 A CA -0.917 51.180 52.037 0.100 0.000 0.714 232 A CB 1.248 20.279 19.000 0.052 0.000 1.299 232 A HN 0.747 nan 8.150 nan 0.000 0.407 233 N N 1.057 119.735 118.700 -0.037 0.000 2.472 233 N HA 0.629 5.369 4.740 -0.000 0.000 0.277 233 N C -0.483 174.906 175.510 -0.202 0.000 1.081 233 N CA 0.157 53.171 53.050 -0.060 0.000 0.973 233 N CB 0.976 39.464 38.487 0.001 0.000 1.105 233 N HN 0.726 nan 8.380 nan 0.000 0.470 234 I N -2.126 118.297 120.570 -0.245 0.000 3.102 234 I HA 0.564 4.734 4.170 -0.000 0.000 0.310 234 I C -1.211 174.841 176.117 -0.108 0.000 1.246 234 I CA -0.965 60.018 61.300 -0.529 0.000 0.979 234 I CB 2.775 40.282 38.000 -0.821 0.000 1.267 234 I HN 0.034 nan 8.210 nan 0.000 0.451 235 D N 2.322 122.777 120.400 0.090 0.000 2.498 235 D HA 0.743 5.383 4.640 -0.000 0.000 0.247 235 D C -1.063 175.317 176.300 0.133 0.000 1.070 235 D CA -0.197 53.888 54.000 0.142 0.000 0.842 235 D CB 2.455 43.373 40.800 0.197 0.000 1.361 235 D HN 0.899 nan 8.370 nan 0.000 0.484 236 A N 2.052 124.915 122.820 0.072 0.000 2.540 236 A HA 0.505 4.825 4.320 -0.000 0.000 0.297 236 A C -0.320 177.261 177.584 -0.005 0.000 1.056 236 A CA -0.495 51.569 52.037 0.046 0.000 0.700 236 A CB 0.910 19.937 19.000 0.044 0.000 1.280 236 A HN 0.564 nan 8.150 nan 0.000 0.398 237 I N 0.502 121.055 120.570 -0.028 0.000 3.971 237 I HA 0.124 4.294 4.170 -0.000 0.000 0.303 237 I C 1.232 177.327 176.117 -0.038 0.000 1.233 237 I CA 1.195 62.437 61.300 -0.096 0.000 1.346 237 I CB 0.874 38.742 38.000 -0.219 0.000 1.273 237 I HN 0.832 nan 8.210 nan 0.000 0.448 238 T N -1.715 112.855 114.554 0.027 0.000 2.724 238 T HA 0.400 4.750 4.350 -0.000 0.000 0.274 238 T C 0.223 174.968 174.700 0.076 0.000 0.984 238 T CA -0.444 61.690 62.100 0.056 0.000 1.024 238 T CB 1.114 70.042 68.868 0.100 0.000 1.320 238 T HN 0.116 nan 8.240 nan 0.000 0.555 239 S N 0.734 116.499 115.700 0.109 0.000 2.571 239 S HA 0.312 4.782 4.470 -0.000 0.000 0.298 239 S C 0.137 174.858 174.600 0.202 0.000 1.280 239 S CA -0.274 58.028 58.200 0.170 0.000 1.052 239 S CB -1.112 62.209 63.200 0.201 0.000 0.799 239 S HN 1.208 nan 8.310 nan 0.000 0.501 240 L N -1.038 120.262 121.223 0.128 0.000 2.491 240 L HA 0.952 5.292 4.340 -0.000 0.000 0.254 240 L C -0.726 176.155 176.870 0.020 0.000 1.048 240 L CA -1.087 53.706 54.840 -0.077 0.000 0.855 240 L CB 1.784 43.819 42.059 -0.041 0.000 1.466 240 L HN 0.578 nan 8.230 nan 0.000 0.409 241 S N 0.591 116.255 115.700 -0.059 0.000 2.548 241 S HA 0.787 5.257 4.470 -0.000 0.000 0.286 241 S C -0.820 173.804 174.600 0.040 0.000 1.098 241 S CA -0.490 57.742 58.200 0.054 0.000 0.930 241 S CB 1.830 65.098 63.200 0.112 0.000 1.070 241 S HN 0.527 nan 8.310 nan 0.000 0.480 242 I N 1.986 122.604 120.570 0.080 0.000 2.468 242 I HA 0.622 4.791 4.170 -0.000 0.000 0.285 242 I C 0.314 176.504 176.117 0.122 0.000 1.039 242 I CA -0.420 60.934 61.300 0.090 0.000 1.074 242 I CB 1.893 39.974 38.000 0.135 0.000 1.228 242 I HN 0.738 nan 8.210 nan 0.000 0.436 243 G N 3.069 111.909 108.800 0.068 0.000 2.658 243 G HA2 0.895 4.855 3.960 -0.000 0.000 0.292 243 G HA3 0.895 4.855 3.960 -0.000 0.000 0.292 243 G C -0.541 174.363 174.900 0.008 0.000 1.320 243 G CA -0.506 44.648 45.100 0.090 0.000 0.933 243 G HN 0.988 nan 8.290 nan 0.000 0.476 244 G N -0.868 107.967 108.800 0.058 0.000 2.316 244 G HA2 0.513 4.473 3.960 -0.000 0.000 0.349 244 G HA3 0.513 4.473 3.960 -0.000 0.000 0.349 244 G C -0.879 174.097 174.900 0.126 0.000 1.274 244 G CA 0.295 45.385 45.100 -0.017 0.000 1.018 244 G HN 1.575 nan 8.290 nan 0.000 0.486 245 E N -1.439 118.798 120.200 0.061 0.000 2.388 245 E HA 0.646 4.996 4.350 -0.000 0.000 0.280 245 E C -1.751 174.918 176.600 0.116 0.000 1.019 245 E CA -1.122 55.401 56.400 0.206 0.000 0.806 245 E CB 1.563 31.340 29.700 0.128 0.000 1.246 245 E HN 0.690 nan 8.360 nan 0.000 0.443 246 L N 1.974 123.320 121.223 0.206 0.000 2.346 246 L HA 0.648 4.988 4.340 -0.000 0.000 0.274 246 L C -0.861 175.966 176.870 -0.072 0.000 1.007 246 L CA -1.355 53.495 54.840 0.016 0.000 0.818 246 L CB 2.082 44.199 42.059 0.098 0.000 1.284 246 L HN 0.459 nan 8.230 nan 0.000 0.424 247 V N 2.550 122.293 119.914 -0.285 0.000 2.495 247 V HA 0.469 4.589 4.120 -0.000 0.000 0.298 247 V C -0.706 175.051 176.094 -0.562 0.000 1.031 247 V CA -0.470 61.674 62.300 -0.261 0.000 0.871 247 V CB 1.736 33.421 31.823 -0.230 0.000 0.988 247 V HN 0.371 nan 8.190 nan 0.000 0.432 248 F N 2.589 122.436 119.950 -0.171 0.000 2.508 248 F HA 0.611 5.138 4.527 -0.000 0.000 0.325 248 F C 0.334 176.134 175.800 0.001 0.000 1.090 248 F CA -0.393 57.531 58.000 -0.127 0.000 0.945 248 F CB 1.568 40.453 39.000 -0.192 0.000 1.156 248 F HN 0.474 nan 8.300 nan 0.000 0.463 249 H N 0.143 119.376 119.070 0.273 0.000 2.637 249 H HA 0.619 5.175 4.556 -0.000 0.000 0.363 249 H C -0.730 174.757 175.328 0.265 0.000 1.131 249 H CA -0.869 55.300 56.048 0.203 0.000 1.183 249 H CB 2.462 32.307 29.762 0.139 0.000 1.637 249 H HN 0.584 nan 8.280 nan 0.000 0.531 250 T N 0.090 114.825 114.554 0.301 0.000 2.853 250 T HA 0.177 4.527 4.350 -0.000 0.000 0.311 250 T C 0.257 175.008 174.700 0.085 0.000 1.307 250 T CA -0.337 61.900 62.100 0.227 0.000 1.019 250 T CB 1.229 70.241 68.868 0.240 0.000 1.264 250 T HN 0.653 nan 8.240 nan 0.000 0.497 251 S N 0.835 116.571 115.700 0.061 0.000 2.520 251 S HA 0.312 4.782 4.470 -0.000 0.000 0.219 251 S C 0.506 175.082 174.600 -0.040 0.000 1.028 251 S CA -0.171 58.026 58.200 -0.004 0.000 0.921 251 S CB 0.193 63.410 63.200 0.029 0.000 0.844 251 S HN 0.497 nan 8.310 nan 0.000 0.495 252 V N 3.832 123.758 119.914 0.020 0.000 2.649 252 V HA 0.280 4.400 4.120 -0.000 0.000 0.292 252 V C 0.180 176.267 176.094 -0.011 0.000 1.055 252 V CA -0.400 61.941 62.300 0.069 0.000 1.023 252 V CB 0.643 32.539 31.823 0.121 0.000 0.992 252 V HN 0.511 nan 8.190 nan 0.000 0.480 253 H N 2.332 121.442 119.070 0.068 0.000 2.496 253 H HA 0.403 4.959 4.556 -0.000 0.000 0.342 253 H C 1.167 176.530 175.328 0.059 0.000 1.170 253 H CA 0.351 56.433 56.048 0.057 0.000 1.274 253 H CB 1.551 31.336 29.762 0.038 0.000 1.538 253 H HN 0.926 nan 8.280 nan 0.000 0.542 254 G N 1.608 110.506 108.800 0.164 0.000 2.143 254 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 254 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 254 G C 0.063 175.023 174.900 0.101 0.000 0.991 254 G CA 0.032 45.200 45.100 0.113 0.000 0.689 254 G HN 0.404 nan 8.290 nan 0.000 0.522 255 L N 0.112 121.394 121.223 0.099 0.000 2.357 255 L HA 0.739 5.079 4.340 -0.000 0.000 0.273 255 L C 0.632 177.523 176.870 0.034 0.000 1.080 255 L CA -0.187 54.715 54.840 0.103 0.000 0.803 255 L CB 1.672 43.826 42.059 0.158 0.000 1.174 255 L HN 0.358 nan 8.230 nan 0.000 0.443 256 A N 3.881 126.708 122.820 0.012 0.000 2.414 256 A HA 0.834 5.154 4.320 -0.000 0.000 0.306 256 A C -1.014 176.499 177.584 -0.117 0.000 1.054 256 A CA -0.538 51.466 52.037 -0.056 0.000 0.724 256 A CB 1.438 20.421 19.000 -0.029 0.000 1.267 256 A HN 0.618 nan 8.150 nan 0.000 0.418 257 L N 1.472 122.564 121.223 -0.219 0.000 2.334 257 L HA 0.550 4.890 4.340 -0.000 0.000 0.273 257 L C -0.924 175.812 176.870 -0.223 0.000 1.013 257 L CA -0.855 53.809 54.840 -0.294 0.000 0.816 257 L CB 1.996 43.712 42.059 -0.571 0.000 1.278 257 L HN 0.599 nan 8.230 nan 0.000 0.431 258 D N 1.938 122.226 120.400 -0.186 0.000 2.505 258 D HA 0.654 5.294 4.640 -0.000 0.000 0.249 258 D C -0.921 175.286 176.300 -0.155 0.000 1.082 258 D CA -0.154 53.758 54.000 -0.146 0.000 0.839 258 D CB 2.607 43.351 40.800 -0.093 0.000 1.317 258 D HN 0.579 nan 8.370 nan 0.000 0.497 259 A N 1.648 124.369 122.820 -0.165 0.000 2.393 259 A HA 0.726 5.046 4.320 -0.000 0.000 0.306 259 A C -0.603 176.885 177.584 -0.160 0.000 1.050 259 A CA -0.547 51.403 52.037 -0.146 0.000 0.724 259 A CB 1.680 20.581 19.000 -0.165 0.000 1.248 259 A HN 0.357 nan 8.150 nan 0.000 0.424 260 T N 2.165 116.639 114.554 -0.133 0.000 2.886 260 T HA 0.555 4.905 4.350 -0.000 0.000 0.292 260 T C -0.563 173.967 174.700 -0.283 0.000 1.012 260 T CA -0.153 61.794 62.100 -0.255 0.000 0.982 260 T CB 1.161 69.808 68.868 -0.368 0.000 1.018 260 T HN 0.500 nan 8.240 nan 0.000 0.451 261 I N 2.761 123.145 120.570 -0.309 0.000 2.392 261 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 261 I C -1.145 174.753 176.117 -0.365 0.000 0.985 261 I CA -0.771 60.419 61.300 -0.184 0.000 1.221 261 I CB 0.994 39.004 38.000 0.017 0.000 1.366 261 I HN 0.612 nan 8.210 nan 0.000 0.467 262 Y N 6.049 126.328 120.300 -0.035 0.000 2.409 262 Y HA 0.563 5.113 4.550 -0.000 0.000 0.343 262 Y C -0.549 175.336 175.900 -0.026 0.000 0.973 262 Y CA -0.804 57.276 58.100 -0.033 0.000 1.064 262 Y CB 1.534 39.964 38.460 -0.051 0.000 1.207 262 Y HN 0.234 nan 8.280 nan 0.000 0.452 263 L N 5.131 126.429 121.223 0.126 0.000 2.298 263 L HA 0.491 4.831 4.340 -0.000 0.000 0.284 263 L C -0.909 176.001 176.870 0.066 0.000 1.013 263 L CA -0.641 54.242 54.840 0.072 0.000 0.824 263 L CB 0.910 42.995 42.059 0.043 0.000 1.221 263 L HN 0.486 nan 8.230 nan 0.000 0.418 264 I N 2.319 122.916 120.570 0.046 0.000 2.385 264 I HA 0.392 4.562 4.170 -0.000 0.000 0.294 264 I C 0.947 177.079 176.117 0.026 0.000 0.988 264 I CA -0.108 61.207 61.300 0.026 0.000 1.265 264 I CB 1.448 39.448 38.000 -0.000 0.000 1.388 264 I HN 0.553 nan 8.210 nan 0.000 0.480 265 G N 3.308 112.124 108.800 0.027 0.000 2.580 265 G HA2 0.198 4.158 3.960 -0.000 0.000 0.278 265 G HA3 0.198 4.158 3.960 -0.000 0.000 0.278 265 G C 0.375 175.327 174.900 0.086 0.000 1.212 265 G CA -0.349 44.784 45.100 0.056 0.000 0.939 265 G HN 0.583 nan 8.290 nan 0.000 0.513 266 F N 0.601 120.533 119.950 -0.031 0.000 2.202 266 F HA -0.124 4.403 4.527 -0.000 0.000 0.301 266 F C 2.167 177.908 175.800 -0.098 0.000 1.082 266 F CA 1.936 59.858 58.000 -0.130 0.000 1.313 266 F CB 0.204 39.001 39.000 -0.337 0.000 1.024 266 F HN 0.433 nan 8.300 nan 0.000 0.495 267 D N -1.150 119.238 120.400 -0.020 0.000 2.328 267 D HA 0.171 4.811 4.640 -0.000 0.000 0.226 267 D C 1.820 178.094 176.300 -0.044 0.000 1.066 267 D CA 0.737 54.720 54.000 -0.028 0.000 0.861 267 D CB -0.405 40.537 40.800 0.237 0.000 0.912 267 D HN 0.402 nan 8.370 nan 0.000 0.521 268 G N -0.728 108.033 108.800 -0.066 0.000 2.217 268 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.246 268 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.246 268 G C 0.576 175.459 174.900 -0.028 0.000 0.990 268 G CA 0.338 45.402 45.100 -0.059 0.000 0.627 268 G HN 0.496 nan 8.290 nan 0.000 0.522 269 T N 1.967 116.525 114.554 0.007 0.000 2.898 269 T HA 0.482 4.832 4.350 -0.000 0.000 0.301 269 T C 0.684 175.394 174.700 0.017 0.000 1.049 269 T CA 0.949 63.060 62.100 0.019 0.000 1.095 269 T CB 0.840 69.739 68.868 0.053 0.000 0.976 269 T HN 0.224 nan 8.240 nan 0.000 0.539 270 T N 2.770 117.338 114.554 0.024 0.000 2.794 270 T HA 0.252 4.602 4.350 -0.000 0.000 0.296 270 T C 1.303 176.032 174.700 0.048 0.000 0.949 270 T CA -0.604 61.528 62.100 0.053 0.000 1.101 270 T CB 1.003 69.928 68.868 0.095 0.000 0.905 270 T HN 0.355 nan 8.240 nan 0.000 0.516 271 V N 3.422 123.361 119.914 0.042 0.000 2.949 271 V HA 0.333 4.453 4.120 -0.000 0.000 0.245 271 V C 0.338 176.447 176.094 0.025 0.000 1.086 271 V CA 0.552 62.863 62.300 0.017 0.000 1.097 271 V CB -0.011 31.807 31.823 -0.008 0.000 0.762 271 V HN 0.674 nan 8.190 nan 0.000 0.470 272 I N -0.009 120.586 120.570 0.042 0.000 2.752 272 I HA 0.492 4.662 4.170 -0.000 0.000 0.295 272 I C -0.491 175.635 176.117 0.015 0.000 1.219 272 I CA 0.026 61.340 61.300 0.023 0.000 1.030 272 I CB 2.488 40.495 38.000 0.012 0.000 1.259 272 I HN 0.159 nan 8.210 nan 0.000 0.423 273 T N 2.684 117.212 114.554 -0.044 0.000 2.886 273 T HA 0.812 5.162 4.350 -0.000 0.000 0.292 273 T C -0.653 173.941 174.700 -0.176 0.000 1.012 273 T CA -0.924 61.064 62.100 -0.188 0.000 0.982 273 T CB 1.956 70.714 68.868 -0.183 0.000 1.018 273 T HN 0.315 nan 8.240 nan 0.000 0.451 274 R N 1.348 121.708 120.500 -0.233 0.000 2.574 274 R HA 0.783 5.123 4.340 -0.000 0.000 0.288 274 R C -0.555 175.623 176.300 -0.203 0.000 1.004 274 R CA -0.845 55.158 56.100 -0.161 0.000 0.895 274 R CB 1.873 32.118 30.300 -0.092 0.000 1.191 274 R HN 1.010 nan 8.270 nan 0.000 0.444 275 A N 2.025 124.744 122.820 -0.168 0.000 2.363 275 A HA 0.423 4.743 4.320 -0.000 0.000 0.270 275 A C 0.610 178.076 177.584 -0.196 0.000 1.121 275 A CA -0.319 51.611 52.037 -0.179 0.000 0.800 275 A CB 0.656 19.573 19.000 -0.139 0.000 1.052 275 A HN 0.466 nan 8.150 nan 0.000 0.493 276 V N 1.175 120.936 119.914 -0.255 0.000 3.484 276 V HA 0.436 4.556 4.120 -0.000 0.000 0.252 276 V C 0.859 176.747 176.094 -0.344 0.000 1.282 276 V CA 1.279 63.351 62.300 -0.380 0.000 1.104 276 V CB 0.163 31.614 31.823 -0.621 0.000 0.868 276 V HN 1.158 nan 8.190 nan 0.000 0.457 277 A N -0.820 121.844 122.820 -0.261 0.000 2.488 277 A HA 0.781 5.101 4.320 -0.000 0.000 0.295 277 A C -0.731 176.751 177.584 -0.170 0.000 1.045 277 A CA -0.241 51.665 52.037 -0.217 0.000 0.703 277 A CB 1.957 20.810 19.000 -0.245 0.000 1.271 277 A HN 0.005 nan 8.150 nan 0.000 0.400 278 S N 1.622 117.239 115.700 -0.139 0.000 2.779 278 S HA 0.507 4.976 4.470 -0.000 0.000 0.293 278 S C -0.561 173.983 174.600 -0.093 0.000 1.150 278 S CA -0.011 58.124 58.200 -0.108 0.000 1.057 278 S CB 0.989 64.135 63.200 -0.089 0.000 1.021 278 S HN 1.178 nan 8.310 nan 0.000 0.485 279 D N 2.880 123.227 120.400 -0.088 0.000 2.686 279 D HA -0.203 4.437 4.640 -0.000 0.000 0.235 279 D C -0.379 175.872 176.300 -0.082 0.000 1.160 279 D CA 0.570 54.527 54.000 -0.071 0.000 0.645 279 D CB -0.991 39.780 40.800 -0.047 0.000 1.039 279 D HN 0.509 nan 8.370 nan 0.000 0.423 280 N N 0.356 118.984 118.700 -0.119 0.000 2.415 280 N HA 0.399 5.139 4.740 -0.000 0.000 0.246 280 N C 0.222 175.658 175.510 -0.124 0.000 1.078 280 N CA 0.474 53.449 53.050 -0.125 0.000 0.942 280 N CB 0.700 39.084 38.487 -0.172 0.000 1.140 280 N HN 0.318 nan 8.380 nan 0.000 0.501 281 G N 3.314 112.069 108.800 -0.075 0.000 2.403 281 G HA2 0.361 4.320 3.960 -0.000 0.000 0.259 281 G HA3 0.361 4.320 3.960 -0.000 0.000 0.259 281 G C 0.054 174.923 174.900 -0.051 0.000 1.244 281 G CA -0.443 44.626 45.100 -0.052 0.000 0.849 281 G HN 0.607 nan 8.290 nan 0.000 0.532 282 L N 2.102 123.300 121.223 -0.042 0.000 2.264 282 L HA 0.299 4.639 4.340 -0.000 0.000 0.289 282 L C 0.467 177.343 176.870 0.010 0.000 1.044 282 L CA -0.521 54.307 54.840 -0.020 0.000 0.807 282 L CB 1.473 43.520 42.059 -0.020 0.000 1.192 282 L HN 0.373 nan 8.230 nan 0.000 0.425 283 T N 1.510 116.075 114.554 0.020 0.000 2.845 283 T HA 0.180 4.530 4.350 -0.000 0.000 0.288 283 T C 0.393 175.092 174.700 -0.003 0.000 0.980 283 T CA -0.323 61.784 62.100 0.011 0.000 1.071 283 T CB 1.170 70.053 68.868 0.025 0.000 0.941 283 T HN 0.498 nan 8.240 nan 0.000 0.487 284 T N 2.518 117.025 114.554 -0.078 0.000 2.932 284 T HA 0.367 4.717 4.350 -0.000 0.000 0.312 284 T C 1.379 176.051 174.700 -0.048 0.000 1.071 284 T CA 0.789 62.816 62.100 -0.123 0.000 1.128 284 T CB 0.299 68.960 68.868 -0.344 0.000 0.984 284 T HN 0.977 nan 8.240 nan 0.000 0.549 285 G N 2.222 110.996 108.800 -0.043 0.000 2.356 285 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.296 285 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.296 285 G C -0.062 174.812 174.900 -0.044 0.000 1.022 285 G CA 0.289 45.355 45.100 -0.055 0.000 0.961 285 G HN 0.714 nan 8.290 nan 0.000 0.510 286 I N -1.105 119.463 120.570 -0.003 0.000 3.006 286 I HA 0.251 4.421 4.170 -0.000 0.000 0.306 286 I C -1.035 175.186 176.117 0.174 0.000 1.250 286 I CA -1.128 60.200 61.300 0.048 0.000 0.996 286 I CB 1.912 39.943 38.000 0.051 0.000 1.261 286 I HN -0.130 nan 8.210 nan 0.000 0.442 287 D N 4.490 125.011 120.400 0.201 0.000 2.338 287 D HA 0.148 4.787 4.640 -0.000 0.000 0.255 287 D C -0.620 175.781 176.300 0.168 0.000 1.237 287 D CA 0.148 54.319 54.000 0.285 0.000 0.883 287 D CB 0.513 41.438 40.800 0.209 0.000 1.087 287 D HN 0.294 nan 8.370 nan 0.000 0.485 288 N N 3.189 121.995 118.700 0.177 0.000 2.414 288 N HA 0.188 4.928 4.740 -0.000 0.000 0.256 288 N C -0.095 175.490 175.510 0.126 0.000 1.029 288 N CA -0.301 52.828 53.050 0.131 0.000 0.948 288 N CB 1.676 40.248 38.487 0.141 0.000 1.102 288 N HN 0.249 nan 8.380 nan 0.000 0.496 289 L N 2.270 123.544 121.223 0.084 0.000 2.292 289 L HA 0.453 4.792 4.340 -0.000 0.000 0.284 289 L C 0.490 177.407 176.870 0.077 0.000 1.065 289 L CA -0.195 54.693 54.840 0.079 0.000 0.806 289 L CB 1.075 43.166 42.059 0.054 0.000 1.175 289 L HN 0.380 nan 8.230 nan 0.000 0.431 290 M N 6.954 126.624 119.600 0.116 0.000 1.987 290 M HA 0.394 4.873 4.480 -0.000 0.000 0.298 290 M C -2.592 173.774 176.300 0.110 0.000 0.892 290 M CA -1.623 53.722 55.300 0.075 0.000 0.885 290 M CB 1.561 34.249 32.600 0.147 0.000 1.469 290 M HN 0.234 nan 8.290 nan 0.000 0.389 291 P HA 0.348 nan 4.420 nan 0.000 0.276 291 P C -1.378 175.976 177.300 0.089 0.000 1.252 291 P CA -0.123 63.069 63.100 0.154 0.000 0.802 291 P CB 0.872 32.619 31.700 0.080 0.000 1.035 292 F N 0.573 120.531 119.950 0.013 0.000 2.493 292 F HA 0.379 4.905 4.527 -0.000 0.000 0.329 292 F C 0.167 175.975 175.800 0.013 0.000 1.126 292 F CA -0.333 57.675 58.000 0.013 0.000 0.937 292 F CB 1.289 40.303 39.000 0.023 0.000 1.146 292 F HN 0.176 nan 8.300 nan 0.000 0.442 293 N N 3.802 122.582 118.700 0.134 0.000 2.726 293 N HA 0.379 5.119 4.740 -0.000 0.000 0.253 293 N C -1.508 174.046 175.510 0.074 0.000 1.530 293 N CA -0.227 52.879 53.050 0.094 0.000 0.772 293 N CB 0.868 39.385 38.487 0.049 0.000 1.220 293 N HN 0.361 nan 8.380 nan 0.000 0.508 294 L N 0.570 121.856 121.223 0.105 0.000 2.317 294 L HA 0.688 5.027 4.340 -0.000 0.000 0.281 294 L C -0.492 176.426 176.870 0.080 0.000 1.024 294 L CA -1.162 53.724 54.840 0.077 0.000 0.810 294 L CB 1.761 43.874 42.059 0.090 0.000 1.240 294 L HN 0.006 nan 8.230 nan 0.000 0.427 295 V N 4.632 124.585 119.914 0.064 0.000 2.407 295 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 295 V C -0.335 175.798 176.094 0.065 0.000 1.018 295 V CA -0.349 61.999 62.300 0.081 0.000 0.842 295 V CB 1.991 33.857 31.823 0.072 0.000 0.996 295 V HN 0.449 nan 8.190 nan 0.000 0.426 296 I N 8.953 129.568 120.570 0.075 0.000 2.328 296 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 296 I C -2.029 174.128 176.117 0.066 0.000 1.012 296 I CA -1.856 59.478 61.300 0.055 0.000 1.195 296 I CB 1.887 39.914 38.000 0.044 0.000 1.350 296 I HN 0.434 nan 8.210 nan 0.000 0.464 297 P HA 0.145 nan 4.420 nan 0.000 0.277 297 P C 0.496 177.818 177.300 0.036 0.000 1.240 297 P CA -0.260 62.865 63.100 0.043 0.000 0.798 297 P CB 0.999 32.714 31.700 0.025 0.000 0.979 298 T N 1.029 115.605 114.554 0.037 0.000 2.699 298 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 298 T C 1.637 176.346 174.700 0.015 0.000 1.036 298 T CA 2.023 64.140 62.100 0.028 0.000 1.147 298 T CB -0.891 67.995 68.868 0.031 0.000 0.862 298 T HN 0.631 nan 8.240 nan 0.000 0.446 299 N N 1.539 120.248 118.700 0.015 0.000 2.443 299 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 299 N C 1.578 177.094 175.510 0.011 0.000 1.037 299 N CA 1.233 54.291 53.050 0.013 0.000 0.896 299 N CB -0.275 38.220 38.487 0.012 0.000 0.959 299 N HN 0.560 nan 8.380 nan 0.000 0.442 300 E N 0.268 120.474 120.200 0.011 0.000 2.299 300 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 300 E C 0.111 176.711 176.600 0.000 0.000 0.998 300 E CA -0.081 56.324 56.400 0.008 0.000 0.851 300 E CB 0.139 29.845 29.700 0.010 0.000 0.795 300 E HN 0.360 nan 8.360 nan 0.000 0.492 301 I N 2.240 122.807 120.570 -0.005 0.000 2.347 301 I HA -0.002 4.168 4.170 -0.000 0.000 0.294 301 I C 1.175 177.265 176.117 -0.046 0.000 1.090 301 I CA -0.035 61.250 61.300 -0.025 0.000 1.314 301 I CB 1.258 39.244 38.000 -0.024 0.000 1.423 301 I HN 0.096 nan 8.210 nan 0.000 0.503 302 T N 1.790 116.305 114.554 -0.064 0.000 3.081 302 T HA 0.077 4.427 4.350 -0.000 0.000 0.255 302 T C 0.428 174.980 174.700 -0.247 0.000 1.113 302 T CA 0.079 62.132 62.100 -0.078 0.000 1.082 302 T CB -0.022 68.831 68.868 -0.024 0.000 0.939 302 T HN 0.715 nan 8.240 nan 0.000 0.506 303 Q N -0.521 119.072 119.800 -0.345 0.000 2.522 303 Q HA 0.560 4.900 4.340 -0.000 0.000 0.285 303 Q C -3.483 172.364 176.000 -0.254 0.000 0.982 303 Q CA -2.461 52.972 55.803 -0.616 0.000 0.805 303 Q CB 0.684 28.650 28.738 -1.286 0.000 1.457 303 Q HN -0.116 nan 8.270 nan 0.000 0.394 304 P HA 0.003 nan 4.420 nan 0.000 0.264 304 P C -0.668 176.646 177.300 0.024 0.000 1.183 304 P CA 0.130 63.227 63.100 -0.006 0.000 0.763 304 P CB 0.293 32.067 31.700 0.123 0.000 0.807 305 I N 3.244 123.826 120.570 0.020 0.000 2.371 305 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 305 I C 1.449 177.600 176.117 0.058 0.000 1.028 305 I CA 0.339 61.658 61.300 0.031 0.000 1.345 305 I CB 0.546 38.557 38.000 0.018 0.000 1.407 305 I HN 0.429 nan 8.210 nan 0.000 0.501 306 T N 0.304 114.899 114.554 0.068 0.000 3.043 306 T HA 0.249 4.599 4.350 -0.000 0.000 0.272 306 T C 0.411 175.126 174.700 0.026 0.000 0.990 306 T CA -0.073 62.073 62.100 0.077 0.000 0.897 306 T CB 0.123 69.083 68.868 0.155 0.000 1.111 306 T HN 0.628 nan 8.240 nan 0.000 0.529 307 S N 0.327 116.032 115.700 0.008 0.000 2.587 307 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 307 S C -1.626 172.977 174.600 0.005 0.000 1.154 307 S CA -1.043 57.151 58.200 -0.010 0.000 0.824 307 S CB 1.785 64.983 63.200 -0.003 0.000 1.118 307 S HN 0.483 nan 8.310 nan 0.000 0.462 308 I N 1.046 121.629 120.570 0.022 0.000 2.686 308 I HA 0.739 4.908 4.170 -0.000 0.000 0.295 308 I C -1.730 174.406 176.117 0.032 0.000 1.114 308 I CA -0.690 60.645 61.300 0.058 0.000 1.038 308 I CB 1.921 39.980 38.000 0.097 0.000 1.238 308 I HN 1.054 nan 8.210 nan 0.000 0.420 309 K N 6.344 126.713 120.400 -0.051 0.000 2.527 309 K HA 0.561 4.881 4.320 -0.000 0.000 0.260 309 K C -2.267 174.169 176.600 -0.274 0.000 0.937 309 K CA -0.921 55.182 56.287 -0.305 0.000 0.826 309 K CB 2.444 34.830 32.500 -0.190 0.000 1.359 309 K HN 0.482 nan 8.250 nan 0.000 0.434 310 L N 1.141 121.991 121.223 -0.622 0.000 2.333 310 L HA 0.469 4.809 4.340 -0.000 0.000 0.280 310 L C -0.995 175.803 176.870 -0.121 0.000 1.004 310 L CA -0.014 54.657 54.840 -0.281 0.000 0.820 310 L CB 1.736 43.627 42.059 -0.280 0.000 1.247 310 L HN 0.864 nan 8.230 nan 0.000 0.416 311 E N 4.819 125.048 120.200 0.048 0.000 2.171 311 E HA 0.539 4.889 4.350 -0.000 0.000 0.271 311 E C -1.328 175.293 176.600 0.034 0.000 0.916 311 E CA -0.583 55.862 56.400 0.075 0.000 0.774 311 E CB 1.541 31.379 29.700 0.229 0.000 1.128 311 E HN 0.627 nan 8.360 nan 0.000 0.403 312 I N 3.802 124.386 120.570 0.023 0.000 2.436 312 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 312 I C -0.842 175.254 176.117 -0.035 0.000 1.010 312 I CA -0.996 60.290 61.300 -0.023 0.000 1.098 312 I CB 1.961 39.965 38.000 0.006 0.000 1.266 312 I HN 0.223 nan 8.210 nan 0.000 0.434 313 V N 4.744 124.618 119.914 -0.067 0.000 2.384 313 V HA 0.375 4.495 4.120 -0.000 0.000 0.287 313 V C 0.061 176.121 176.094 -0.056 0.000 1.020 313 V CA -0.466 61.809 62.300 -0.040 0.000 0.850 313 V CB 1.577 33.385 31.823 -0.025 0.000 0.987 313 V HN 0.707 nan 8.190 nan 0.000 0.436 314 T N 3.998 118.553 114.554 0.001 0.000 2.767 314 T HA 0.615 4.965 4.350 -0.000 0.000 0.284 314 T C -0.075 174.694 174.700 0.115 0.000 0.973 314 T CA -0.407 61.744 62.100 0.086 0.000 0.996 314 T CB 1.126 70.165 68.868 0.286 0.000 0.927 314 T HN 0.765 nan 8.240 nan 0.000 0.456 315 S N 2.591 118.349 115.700 0.098 0.000 2.569 315 S HA 0.593 5.063 4.470 -0.000 0.000 0.280 315 S C -0.927 173.765 174.600 0.152 0.000 1.111 315 S CA -1.128 57.137 58.200 0.108 0.000 0.887 315 S CB 2.170 65.406 63.200 0.060 0.000 1.095 315 S HN 0.587 nan 8.310 nan 0.000 0.476 316 K N 1.526 122.063 120.400 0.228 0.000 2.527 316 K HA 0.362 4.682 4.320 -0.000 0.000 0.240 316 K C 0.862 177.598 176.600 0.227 0.000 0.989 316 K CA -0.237 56.189 56.287 0.231 0.000 0.985 316 K CB 1.189 33.862 32.500 0.288 0.000 1.221 316 K HN 0.626 nan 8.250 nan 0.000 0.458 317 S N 2.452 118.234 115.700 0.136 0.000 2.427 317 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 317 S C 1.040 175.693 174.600 0.089 0.000 1.045 317 S CA 1.981 60.245 58.200 0.106 0.000 1.154 317 S CB -0.310 62.928 63.200 0.063 0.000 1.093 317 S HN 0.777 nan 8.310 nan 0.000 0.422 318 G N 0.908 109.732 108.800 0.040 0.000 3.161 318 G HA2 0.553 4.513 3.960 -0.000 0.000 0.293 318 G HA3 0.553 4.513 3.960 -0.000 0.000 0.293 318 G C -0.129 174.723 174.900 -0.080 0.000 0.893 318 G CA 0.099 45.194 45.100 -0.008 0.000 1.756 318 G HN 0.669 nan 8.290 nan 0.000 0.549 319 G N 0.674 109.358 108.800 -0.195 0.000 2.574 319 G HA2 0.692 4.652 3.960 -0.000 0.000 0.299 319 G HA3 0.692 4.652 3.960 -0.000 0.000 0.299 319 G C -0.737 173.587 174.900 -0.960 0.000 1.298 319 G CA -0.821 43.961 45.100 -0.530 0.000 0.952 319 G HN 0.695 nan 8.290 nan 0.000 0.477 320 Q N -0.175 119.119 119.800 -0.844 0.000 2.423 320 Q HA 0.733 5.073 4.340 -0.000 0.000 0.278 320 Q C -0.156 175.633 176.000 -0.350 0.000 1.097 320 Q CA -1.053 54.418 55.803 -0.554 0.000 0.809 320 Q CB 2.156 30.758 28.738 -0.227 0.000 1.391 320 Q HN 0.954 nan 8.270 nan 0.000 0.428 321 A N 0.606 123.414 122.820 -0.020 0.000 2.613 321 A HA 0.336 4.656 4.320 -0.000 0.000 0.230 321 A C 1.318 178.932 177.584 0.049 0.000 1.051 321 A CA 1.351 53.474 52.037 0.142 0.000 0.754 321 A CB -1.017 18.053 19.000 0.116 0.000 0.979 321 A HN 1.709 nan 8.150 nan 0.000 0.510 322 G N 1.242 110.087 108.800 0.075 0.000 2.284 322 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.230 322 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.230 322 G C 0.037 174.957 174.900 0.034 0.000 1.021 322 G CA 0.367 45.488 45.100 0.036 0.000 0.619 322 G HN 0.891 nan 8.290 nan 0.000 0.510 323 D N 1.377 121.799 120.400 0.037 0.000 2.425 323 D HA 0.473 5.113 4.640 -0.000 0.000 0.247 323 D C 0.522 176.878 176.300 0.094 0.000 1.147 323 D CA 0.456 54.480 54.000 0.039 0.000 0.879 323 D CB 1.292 42.074 40.800 -0.030 0.000 1.179 323 D HN 0.433 nan 8.370 nan 0.000 0.456 324 Q N 2.248 122.082 119.800 0.056 0.000 2.278 324 Q HA 0.364 4.704 4.340 -0.000 0.000 0.257 324 Q C -0.822 175.212 176.000 0.058 0.000 0.928 324 Q CA -0.338 55.486 55.803 0.034 0.000 0.932 324 Q CB 0.930 29.662 28.738 -0.011 0.000 1.221 324 Q HN 0.372 nan 8.270 nan 0.000 0.434 325 M N 2.576 122.211 119.600 0.058 0.000 2.238 325 M HA 0.551 5.031 4.480 -0.000 0.000 0.350 325 M C -0.701 175.609 176.300 0.016 0.000 1.138 325 M CA -0.586 54.794 55.300 0.132 0.000 1.040 325 M CB 1.647 34.399 32.600 0.253 0.000 1.639 325 M HN 0.796 nan 8.290 nan 0.000 0.451 326 S N 2.776 118.543 115.700 0.112 0.000 2.552 326 S HA 0.837 5.307 4.470 -0.000 0.000 0.272 326 S C -1.830 172.913 174.600 0.238 0.000 1.150 326 S CA -0.952 57.240 58.200 -0.014 0.000 0.849 326 S CB 1.942 65.080 63.200 -0.104 0.000 1.113 326 S HN 0.981 nan 8.310 nan 0.000 0.458 327 W N 0.057 121.539 121.300 0.302 0.000 2.989 327 W HA 0.697 5.357 4.660 -0.000 0.000 0.344 327 W C -1.363 175.317 176.519 0.268 0.000 1.233 327 W CA -0.535 56.987 57.345 0.295 0.000 1.187 327 W CB 0.685 30.372 29.460 0.377 0.000 1.443 327 W HN 1.162 nan 8.180 nan 0.000 0.573 328 S N 1.051 117.148 115.700 0.662 0.000 2.536 328 S HA 0.905 5.375 4.470 -0.000 0.000 0.298 328 S C -0.861 173.993 174.600 0.424 0.000 1.083 328 S CA -0.490 57.986 58.200 0.459 0.000 0.995 328 S CB 2.198 65.541 63.200 0.239 0.000 1.058 328 S HN 1.233 nan 8.310 nan 0.000 0.488 329 A N 1.477 124.479 122.820 0.304 0.000 2.454 329 A HA 0.907 5.227 4.320 -0.000 0.000 0.302 329 A C -0.470 177.052 177.584 -0.103 0.000 1.079 329 A CA -0.772 51.169 52.037 -0.161 0.000 0.731 329 A CB 1.855 20.605 19.000 -0.416 0.000 1.299 329 A HN 0.853 nan 8.150 nan 0.000 0.413 330 S N -0.917 114.629 115.700 -0.258 0.000 2.540 330 S HA 0.922 5.392 4.470 -0.000 0.000 0.275 330 S C -0.302 174.194 174.600 -0.172 0.000 1.123 330 S CA 0.062 58.174 58.200 -0.146 0.000 0.907 330 S CB 2.051 65.181 63.200 -0.118 0.000 1.081 330 S HN 2.180 nan 8.310 nan 0.000 0.476 331 G N 1.040 109.771 108.800 -0.115 0.000 2.376 331 G HA2 0.470 4.430 3.960 -0.000 0.000 0.302 331 G HA3 0.470 4.430 3.960 -0.000 0.000 0.302 331 G C -1.660 173.164 174.900 -0.128 0.000 1.586 331 G CA -0.577 44.455 45.100 -0.113 0.000 0.907 331 G HN 0.662 nan 8.290 nan 0.000 0.655 332 S N -0.865 114.750 115.700 -0.143 0.000 2.548 332 S HA 0.840 5.310 4.470 -0.000 0.000 0.286 332 S C -0.501 173.958 174.600 -0.235 0.000 1.098 332 S CA -0.708 57.384 58.200 -0.180 0.000 0.930 332 S CB 1.654 64.777 63.200 -0.128 0.000 1.070 332 S HN 1.400 nan 8.310 nan 0.000 0.480 333 L N -0.259 120.791 121.223 -0.288 0.000 2.333 333 L HA 1.106 5.446 4.340 -0.000 0.000 0.263 333 L C -0.659 176.102 176.870 -0.182 0.000 1.014 333 L CA -1.087 53.562 54.840 -0.318 0.000 0.820 333 L CB 1.560 43.296 42.059 -0.539 0.000 1.352 333 L HN 0.642 nan 8.230 nan 0.000 0.421 334 A N 1.508 124.258 122.820 -0.117 0.000 2.330 334 A HA 0.807 5.127 4.320 -0.000 0.000 0.313 334 A C -0.948 176.629 177.584 -0.012 0.000 1.124 334 A CA -0.626 51.382 52.037 -0.049 0.000 0.774 334 A CB 1.579 20.558 19.000 -0.033 0.000 1.198 334 A HN 0.589 nan 8.150 nan 0.000 0.465 335 V N 2.683 122.621 119.914 0.039 0.000 2.347 335 V HA 0.443 4.563 4.120 -0.000 0.000 0.280 335 V C 0.105 176.240 176.094 0.069 0.000 1.021 335 V CA -0.204 62.141 62.300 0.074 0.000 0.847 335 V CB 1.364 33.266 31.823 0.132 0.000 0.990 335 V HN 0.884 nan 8.190 nan 0.000 0.444 336 T N 6.636 121.176 114.554 -0.023 0.000 2.756 336 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 336 T C -0.170 174.372 174.700 -0.263 0.000 0.985 336 T CA -0.265 61.763 62.100 -0.120 0.000 0.955 336 T CB 0.582 69.373 68.868 -0.128 0.000 0.930 336 T HN 0.304 nan 8.240 nan 0.000 0.451 337 I N 4.482 124.950 120.570 -0.170 0.000 2.297 337 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 337 I C 0.648 176.657 176.117 -0.179 0.000 1.033 337 I CA -0.906 60.301 61.300 -0.154 0.000 1.253 337 I CB 0.137 38.141 38.000 0.007 0.000 1.396 337 I HN 0.562 nan 8.210 nan 0.000 0.476 338 H N 5.184 124.278 119.070 0.040 0.000 3.070 338 H HA 0.077 4.632 4.556 -0.000 0.000 0.313 338 H C 1.481 176.822 175.328 0.022 0.000 0.997 338 H CA 0.956 57.020 56.048 0.027 0.000 1.438 338 H CB 0.438 30.213 29.762 0.022 0.000 1.455 338 H HN 0.945 nan 8.280 nan 0.000 0.575 339 G N 2.790 111.665 108.800 0.125 0.000 2.180 339 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.263 339 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.263 339 G C 1.582 176.529 174.900 0.079 0.000 0.989 339 G CA 0.841 45.991 45.100 0.084 0.000 0.692 339 G HN 0.870 nan 8.290 nan 0.000 0.526 340 G N 0.271 109.103 108.800 0.053 0.000 2.442 340 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.219 340 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.219 340 G C 1.314 176.237 174.900 0.039 0.000 1.141 340 G CA 1.311 46.436 45.100 0.041 0.000 0.763 340 G HN 0.524 nan 8.290 nan 0.000 0.554 341 N N -0.757 117.957 118.700 0.024 0.000 2.383 341 N HA 0.060 4.800 4.740 -0.000 0.000 0.192 341 N C -0.282 175.247 175.510 0.031 0.000 1.141 341 N CA -0.434 52.616 53.050 0.001 0.000 0.851 341 N CB -0.115 38.349 38.487 -0.039 0.000 0.976 341 N HN 0.454 nan 8.380 nan 0.000 0.465 342 Y N 2.569 122.844 120.300 -0.042 0.000 2.569 342 Y HA 0.159 4.709 4.550 -0.000 0.000 0.332 342 Y C -2.123 173.743 175.900 -0.056 0.000 1.120 342 Y CA -1.964 56.107 58.100 -0.048 0.000 1.416 342 Y CB 0.540 38.964 38.460 -0.059 0.000 1.210 342 Y HN -0.001 nan 8.280 nan 0.000 0.528 343 P HA 0.079 nan 4.420 nan 0.000 0.260 343 P C 0.456 177.694 177.300 -0.104 0.000 1.185 343 P CA 2.013 64.958 63.100 -0.259 0.000 0.763 343 P CB 0.409 31.907 31.700 -0.337 0.000 0.776 344 G N 3.121 111.939 108.800 0.031 0.000 2.259 344 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 344 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 344 G C 1.158 176.157 174.900 0.166 0.000 1.001 344 G CA 0.304 45.475 45.100 0.119 0.000 0.627 344 G HN 0.614 nan 8.290 nan 0.000 0.501 345 A N -0.247 122.655 122.820 0.137 0.000 1.929 345 A HA 0.577 4.897 4.320 -0.000 0.000 0.216 345 A C 2.232 179.924 177.584 0.179 0.000 1.176 345 A CA 1.959 54.035 52.037 0.065 0.000 0.628 345 A CB -0.184 18.839 19.000 0.038 0.000 0.816 345 A HN 0.856 nan 8.150 nan 0.000 0.444 346 L N -2.251 119.069 121.223 0.161 0.000 2.806 346 L HA 0.217 4.557 4.340 -0.000 0.000 0.242 346 L C 0.772 177.777 176.870 0.224 0.000 1.068 346 L CA -0.092 54.851 54.840 0.170 0.000 0.923 346 L CB 0.354 42.487 42.059 0.125 0.000 1.364 346 L HN 0.434 nan 8.230 nan 0.000 0.511 347 R N 0.730 121.322 120.500 0.153 0.000 2.807 347 R HA 0.588 4.928 4.340 -0.000 0.000 0.276 347 R C -3.020 173.335 176.300 0.090 0.000 0.979 347 R CA -1.703 54.459 56.100 0.105 0.000 0.928 347 R CB 1.814 32.112 30.300 -0.002 0.000 1.191 347 R HN -0.288 nan 8.270 nan 0.000 0.471 348 P HA 0.275 nan 4.420 nan 0.000 0.297 348 P C -0.852 176.539 177.300 0.152 0.000 1.307 348 P CA -0.630 62.503 63.100 0.054 0.000 0.773 348 P CB 1.060 32.760 31.700 0.000 0.000 1.265 349 V N -0.494 119.512 119.914 0.153 0.000 2.709 349 V HA 0.356 4.476 4.120 -0.000 0.000 0.308 349 V C -0.138 176.008 176.094 0.087 0.000 1.062 349 V CA -0.293 62.081 62.300 0.123 0.000 0.901 349 V CB 2.038 33.952 31.823 0.152 0.000 1.003 349 V HN 0.513 nan 8.190 nan 0.000 0.425 350 T N 6.285 120.864 114.554 0.040 0.000 2.770 350 T HA 0.587 4.937 4.350 -0.000 0.000 0.283 350 T C -0.466 174.266 174.700 0.053 0.000 0.988 350 T CA -0.297 61.842 62.100 0.066 0.000 0.957 350 T CB 0.583 69.501 68.868 0.083 0.000 0.930 350 T HN 0.320 nan 8.240 nan 0.000 0.443 351 L N 3.609 124.837 121.223 0.009 0.000 2.295 351 L HA 0.630 4.970 4.340 -0.000 0.000 0.285 351 L C -0.449 176.441 176.870 0.033 0.000 1.035 351 L CA -1.061 53.757 54.840 -0.037 0.000 0.806 351 L CB 1.604 43.600 42.059 -0.105 0.000 1.214 351 L HN 0.316 nan 8.230 nan 0.000 0.426 352 V N 2.844 122.798 119.914 0.068 0.000 2.326 352 V HA 0.559 4.679 4.120 -0.000 0.000 0.281 352 V C 0.296 176.471 176.094 0.135 0.000 1.015 352 V CA -0.427 61.955 62.300 0.137 0.000 0.823 352 V CB 1.454 33.433 31.823 0.260 0.000 1.009 352 V HN 0.890 nan 8.190 nan 0.000 0.436 353 A N 5.478 128.370 122.820 0.120 0.000 2.325 353 A HA 0.966 5.286 4.320 -0.000 0.000 0.333 353 A C -1.024 176.786 177.584 0.377 0.000 1.155 353 A CA -0.491 51.644 52.037 0.163 0.000 0.814 353 A CB 1.139 20.213 19.000 0.124 0.000 1.206 353 A HN 1.036 nan 8.150 nan 0.000 0.482 354 Y N -0.549 119.957 120.300 0.343 0.000 2.512 354 Y HA 0.764 5.314 4.550 -0.000 0.000 0.348 354 Y C -0.542 175.414 175.900 0.093 0.000 0.990 354 Y CA -1.078 57.181 58.100 0.265 0.000 1.033 354 Y CB 1.299 39.854 38.460 0.159 0.000 1.259 354 Y HN 0.861 nan 8.280 nan 0.000 0.461 355 E N 1.323 121.540 120.200 0.029 0.000 2.413 355 E HA 0.606 4.956 4.350 -0.000 0.000 0.277 355 E C -0.692 175.865 176.600 -0.072 0.000 0.958 355 E CA -1.360 54.948 56.400 -0.154 0.000 0.779 355 E CB 1.664 31.038 29.700 -0.544 0.000 1.278 355 E HN 0.591 nan 8.360 nan 0.000 0.456 356 R N -0.759 119.718 120.500 -0.038 0.000 3.878 356 R HA -0.098 4.242 4.340 -0.000 0.000 0.330 356 R C -0.617 175.701 176.300 0.029 0.000 1.186 356 R CA 0.721 56.811 56.100 -0.017 0.000 0.885 356 R CB -2.759 27.512 30.300 -0.050 0.000 1.377 356 R HN 0.473 nan 8.270 nan 0.000 0.523 357 V N 1.150 121.115 119.914 0.084 0.000 2.607 357 V HA 0.523 4.642 4.120 -0.000 0.000 0.289 357 V C 1.365 177.486 176.094 0.045 0.000 1.053 357 V CA -0.199 62.137 62.300 0.060 0.000 0.996 357 V CB 1.708 33.563 31.823 0.054 0.000 0.995 357 V HN 0.382 nan 8.190 nan 0.000 0.476 358 A N 3.633 126.465 122.820 0.020 0.000 2.546 358 A HA 0.302 4.622 4.320 -0.000 0.000 0.243 358 A C 0.747 178.345 177.584 0.023 0.000 1.063 358 A CA 0.127 52.174 52.037 0.017 0.000 0.757 358 A CB -0.330 18.674 19.000 0.007 0.000 0.991 358 A HN 0.855 nan 8.150 nan 0.000 0.503 359 T N 1.815 116.386 114.554 0.028 0.000 2.946 359 T HA 0.406 4.756 4.350 -0.000 0.000 0.311 359 T C 1.569 176.282 174.700 0.023 0.000 1.063 359 T CA 1.573 63.694 62.100 0.035 0.000 1.139 359 T CB 0.490 69.376 68.868 0.031 0.000 0.994 359 T HN 2.051 nan 8.240 nan 0.000 0.547 360 G N 2.761 111.577 108.800 0.026 0.000 2.179 360 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 360 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 360 G C 0.400 175.301 174.900 0.002 0.000 0.977 360 G CA 0.180 45.289 45.100 0.015 0.000 0.641 360 G HN 0.817 nan 8.290 nan 0.000 0.533 361 S N -0.977 114.719 115.700 -0.007 0.000 2.624 361 S HA 0.581 5.051 4.470 -0.000 0.000 0.263 361 S C 0.408 174.981 174.600 -0.046 0.000 1.287 361 S CA -0.206 57.977 58.200 -0.028 0.000 0.990 361 S CB 2.239 65.413 63.200 -0.042 0.000 0.950 361 S HN 0.729 nan 8.310 nan 0.000 0.561 362 V N 2.034 121.915 119.914 -0.055 0.000 2.370 362 V HA 0.319 4.439 4.120 -0.000 0.000 0.283 362 V C -0.347 175.684 176.094 -0.106 0.000 1.023 362 V CA -0.624 61.637 62.300 -0.066 0.000 0.857 362 V CB 1.412 33.212 31.823 -0.038 0.000 0.985 362 V HN 0.640 nan 8.190 nan 0.000 0.443 363 V N 4.564 124.381 119.914 -0.161 0.000 2.350 363 V HA 0.325 4.445 4.120 -0.000 0.000 0.276 363 V C 0.464 176.489 176.094 -0.115 0.000 1.028 363 V CA -0.137 62.042 62.300 -0.200 0.000 0.860 363 V CB 1.729 33.322 31.823 -0.383 0.000 0.990 363 V HN 0.955 nan 8.190 nan 0.000 0.453 364 T N 5.296 119.816 114.554 -0.056 0.000 2.767 364 T HA 0.530 4.880 4.350 -0.000 0.000 0.288 364 T C -0.185 174.536 174.700 0.034 0.000 0.963 364 T CA -0.256 61.841 62.100 -0.005 0.000 1.019 364 T CB 1.384 70.251 68.868 -0.001 0.000 0.923 364 T HN 0.336 nan 8.240 nan 0.000 0.468 365 V N 2.462 122.428 119.914 0.087 0.000 2.513 365 V HA 0.863 4.983 4.120 -0.000 0.000 0.299 365 V C -0.121 176.058 176.094 0.142 0.000 1.035 365 V CA -0.828 61.560 62.300 0.146 0.000 0.889 365 V CB 1.505 33.463 31.823 0.224 0.000 0.988 365 V HN 1.078 nan 8.190 nan 0.000 0.440 366 A N 3.193 126.074 122.820 0.101 0.000 2.456 366 A HA 0.938 5.258 4.320 -0.000 0.000 0.288 366 A C -0.248 177.360 177.584 0.039 0.000 1.042 366 A CA 0.151 52.230 52.037 0.071 0.000 0.738 366 A CB 1.686 20.709 19.000 0.039 0.000 1.266 366 A HN 1.315 nan 8.150 nan 0.000 0.407 367 G N -0.301 108.527 108.800 0.047 0.000 2.645 367 G HA2 0.662 4.621 3.960 -0.000 0.000 0.292 367 G HA3 0.662 4.621 3.960 -0.000 0.000 0.292 367 G C -1.780 173.132 174.900 0.021 0.000 1.415 367 G CA -0.453 44.649 45.100 0.004 0.000 0.785 367 G HN 1.196 nan 8.290 nan 0.000 0.483 368 V N -0.069 119.838 119.914 -0.011 0.000 2.735 368 V HA 0.763 4.883 4.120 -0.000 0.000 0.310 368 V C -0.313 175.753 176.094 -0.048 0.000 1.061 368 V CA -0.676 61.621 62.300 -0.005 0.000 0.913 368 V CB 2.063 33.876 31.823 -0.017 0.000 1.005 368 V HN 0.766 nan 8.190 nan 0.000 0.428 369 S N 3.493 119.163 115.700 -0.050 0.000 2.532 369 S HA 0.572 5.042 4.470 -0.000 0.000 0.299 369 S C -0.796 173.543 174.600 -0.434 0.000 1.105 369 S CA -0.793 57.255 58.200 -0.253 0.000 1.018 369 S CB 1.237 64.360 63.200 -0.128 0.000 1.021 369 S HN 0.748 nan 8.310 nan 0.000 0.483 370 N N 1.919 120.259 118.700 -0.601 0.000 2.362 370 N HA 0.667 5.407 4.740 -0.000 0.000 0.298 370 N C -1.380 173.771 175.510 -0.598 0.000 1.048 370 N CA -0.216 52.595 53.050 -0.399 0.000 0.858 370 N CB 1.260 39.653 38.487 -0.156 0.000 1.218 370 N HN 0.402 nan 8.380 nan 0.000 0.488 371 F N -0.299 119.668 119.950 0.028 0.000 2.629 371 F HA 0.398 4.925 4.527 -0.000 0.000 0.316 371 F C 0.406 176.221 175.800 0.025 0.000 1.081 371 F CA -0.893 57.110 58.000 0.005 0.000 0.954 371 F CB 1.761 40.735 39.000 -0.043 0.000 1.337 371 F HN 0.127 nan 8.300 nan 0.000 0.474 372 E N 2.005 122.338 120.200 0.221 0.000 2.151 372 E HA 0.695 5.045 4.350 -0.000 0.000 0.275 372 E C -1.365 175.390 176.600 0.258 0.000 0.936 372 E CA -0.551 55.966 56.400 0.196 0.000 0.777 372 E CB 2.015 31.651 29.700 -0.108 0.000 1.108 372 E HN 0.412 nan 8.360 nan 0.000 0.401 373 L N 3.266 124.668 121.223 0.298 0.000 2.393 373 L HA 0.586 4.925 4.340 -0.000 0.000 0.260 373 L C -0.670 176.396 176.870 0.328 0.000 1.002 373 L CA -0.837 54.130 54.840 0.210 0.000 0.818 373 L CB 2.004 43.880 42.059 -0.305 0.000 1.369 373 L HN 0.426 nan 8.230 nan 0.000 0.412 374 I N 3.275 124.056 120.570 0.352 0.000 2.382 374 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 374 I C -2.209 174.129 176.117 0.368 0.000 1.002 374 I CA -1.917 59.551 61.300 0.280 0.000 1.135 374 I CB 2.060 40.177 38.000 0.195 0.000 1.288 374 I HN 0.259 nan 8.210 nan 0.000 0.448 375 P HA 0.037 nan 4.420 nan 0.000 0.270 375 P C -0.936 176.374 177.300 0.017 0.000 1.223 375 P CA -0.304 62.846 63.100 0.082 0.000 0.785 375 P CB 0.453 32.146 31.700 -0.012 0.000 0.923 376 N N 1.965 120.610 118.700 -0.092 0.000 2.347 376 N HA 0.103 4.843 4.740 -0.000 0.000 0.253 376 N C -1.986 173.496 175.510 -0.048 0.000 1.274 376 N CA -1.752 51.264 53.050 -0.057 0.000 0.941 376 N CB -1.477 36.956 38.487 -0.090 0.000 1.200 376 N HN 0.147 nan 8.380 nan 0.000 0.514 377 P HA -0.155 nan 4.420 nan 0.000 0.216 377 P C 0.999 178.277 177.300 -0.037 0.000 1.153 377 P CA 1.534 64.619 63.100 -0.025 0.000 0.858 377 P CB 0.181 31.871 31.700 -0.018 0.000 0.789 378 E N -0.805 119.365 120.200 -0.050 0.000 2.072 378 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 378 E C 1.784 178.347 176.600 -0.062 0.000 0.985 378 E CA 0.783 57.153 56.400 -0.051 0.000 0.801 378 E CB -1.101 28.568 29.700 -0.053 0.000 0.750 378 E HN 0.026 nan 8.360 nan 0.000 0.452 379 L N -0.113 121.054 121.223 -0.094 0.000 2.217 379 L HA 0.082 4.422 4.340 -0.000 0.000 0.211 379 L C 1.977 178.804 176.870 -0.071 0.000 1.107 379 L CA 1.577 56.351 54.840 -0.110 0.000 0.783 379 L CB -0.584 41.346 42.059 -0.216 0.000 0.919 379 L HN 0.162 nan 8.230 nan 0.000 0.442 380 A N -0.826 121.962 122.820 -0.053 0.000 2.076 380 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 380 A C 2.247 179.818 177.584 -0.022 0.000 1.160 380 A CA 1.627 53.648 52.037 -0.026 0.000 0.653 380 A CB -0.495 18.496 19.000 -0.015 0.000 0.801 380 A HN 0.489 nan 8.150 nan 0.000 0.455 381 K N -0.721 119.664 120.400 -0.026 0.000 2.283 381 K HA -0.023 4.296 4.320 -0.000 0.000 0.202 381 K C 0.637 177.227 176.600 -0.017 0.000 1.048 381 K CA 1.040 57.316 56.287 -0.020 0.000 0.948 381 K CB 0.026 32.514 32.500 -0.020 0.000 0.742 381 K HN 0.361 nan 8.250 nan 0.000 0.458 382 N N -0.173 118.516 118.700 -0.019 0.000 2.143 382 N HA 0.081 4.821 4.740 -0.000 0.000 0.222 382 N C -1.115 174.392 175.510 -0.004 0.000 1.264 382 N CA 0.011 53.054 53.050 -0.012 0.000 0.897 382 N CB 0.942 39.420 38.487 -0.014 0.000 1.092 382 N HN -0.036 nan 8.380 nan 0.000 0.516 383 L N 1.708 122.929 121.223 -0.003 0.000 2.316 383 L HA 0.394 4.734 4.340 -0.000 0.000 0.280 383 L C -0.341 176.536 176.870 0.011 0.000 1.006 383 L CA -0.586 54.263 54.840 0.016 0.000 0.836 383 L CB 1.705 43.783 42.059 0.031 0.000 1.221 383 L HN -0.255 nan 8.230 nan 0.000 0.418 384 V N 2.512 122.429 119.914 0.006 0.000 2.740 384 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 384 V C 0.656 176.735 176.094 -0.025 0.000 1.054 384 V CA -0.187 62.105 62.300 -0.013 0.000 1.106 384 V CB 1.071 32.886 31.823 -0.014 0.000 0.957 384 V HN 0.872 nan 8.190 nan 0.000 0.486 385 T N 1.887 116.404 114.554 -0.061 0.000 2.908 385 T HA 0.787 5.137 4.350 -0.000 0.000 0.290 385 T C -0.803 173.786 174.700 -0.184 0.000 1.034 385 T CA -0.894 61.142 62.100 -0.107 0.000 1.010 385 T CB 2.438 71.251 68.868 -0.092 0.000 1.068 385 T HN 0.711 nan 8.240 nan 0.000 0.481 386 E N 0.454 120.490 120.200 -0.273 0.000 2.456 386 E HA 0.271 4.620 4.350 -0.000 0.000 0.276 386 E C -0.384 175.991 176.600 -0.374 0.000 0.981 386 E CA -0.921 55.308 56.400 -0.286 0.000 0.814 386 E CB 1.435 31.048 29.700 -0.144 0.000 1.382 386 E HN 0.684 nan 8.360 nan 0.000 0.459 387 Y N 0.815 121.086 120.300 -0.049 0.000 2.395 387 Y HA 0.123 4.673 4.550 -0.000 0.000 0.293 387 Y C 1.246 177.198 175.900 0.086 0.000 1.123 387 Y CA 1.290 59.414 58.100 0.041 0.000 1.227 387 Y CB 0.483 38.971 38.460 0.047 0.000 1.012 387 Y HN 0.789 nan 8.280 nan 0.000 0.552 388 G N 1.097 109.982 108.800 0.142 0.000 3.039 388 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 388 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 388 G C -0.733 174.283 174.900 0.193 0.000 1.066 388 G CA -1.009 44.186 45.100 0.158 0.000 0.774 388 G HN 0.186 nan 8.290 nan 0.000 0.591 389 R N 0.084 120.675 120.500 0.152 0.000 2.489 389 R HA -0.027 4.313 4.340 -0.000 0.000 0.287 389 R C 0.491 176.912 176.300 0.202 0.000 0.902 389 R CA 0.353 56.543 56.100 0.149 0.000 1.136 389 R CB 0.070 30.430 30.300 0.100 0.000 0.872 389 R HN 0.538 nan 8.270 nan 0.000 0.421 390 F N 3.386 123.360 119.950 0.041 0.000 2.427 390 F HA 0.108 4.635 4.527 -0.000 0.000 0.352 390 F C -0.013 175.799 175.800 0.021 0.000 1.100 390 F CA -0.898 57.116 58.000 0.025 0.000 1.191 390 F CB 0.748 39.756 39.000 0.012 0.000 1.128 390 F HN 0.372 nan 8.300 nan 0.000 0.533 391 D N 8.901 128.987 120.400 -0.524 0.000 2.429 391 D HA 0.247 4.886 4.640 -0.000 0.000 0.255 391 D C -1.663 174.241 176.300 -0.661 0.000 1.257 391 D CA -1.753 51.925 54.000 -0.536 0.000 0.890 391 D CB 1.317 42.008 40.800 -0.182 0.000 1.267 391 D HN 0.254 nan 8.370 nan 0.000 0.521 392 P HA -0.166 nan 4.420 nan 0.000 0.219 392 P C 1.069 178.260 177.300 -0.181 0.000 1.158 392 P CA 1.392 64.144 63.100 -0.580 0.000 0.895 392 P CB 0.323 31.762 31.700 -0.436 0.000 0.792 393 G N -1.784 106.928 108.800 -0.147 0.000 3.233 393 G HA2 0.313 4.273 3.960 -0.000 0.000 0.234 393 G HA3 0.313 4.273 3.960 -0.000 0.000 0.234 393 G C 1.549 176.472 174.900 0.038 0.000 1.137 393 G CA 0.552 45.637 45.100 -0.025 0.000 0.763 393 G HN 0.387 nan 8.290 nan 0.000 0.549 394 A N 0.983 123.801 122.820 -0.004 0.000 1.883 394 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 394 A C 2.207 179.860 177.584 0.115 0.000 1.186 394 A CA 2.180 54.262 52.037 0.075 0.000 0.624 394 A CB -0.296 18.723 19.000 0.030 0.000 0.822 394 A HN 0.392 nan 8.150 nan 0.000 0.444 395 M N 0.433 120.046 119.600 0.023 0.000 2.117 395 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 395 M C 1.496 177.841 176.300 0.076 0.000 1.065 395 M CA 1.728 57.033 55.300 0.007 0.000 1.114 395 M CB -0.878 31.701 32.600 -0.035 0.000 1.361 395 M HN 0.413 nan 8.290 nan 0.000 0.408 396 N N -1.032 117.719 118.700 0.085 0.000 2.166 396 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 396 N C 1.751 177.320 175.510 0.097 0.000 1.019 396 N CA 1.402 54.503 53.050 0.085 0.000 0.856 396 N CB -0.576 37.959 38.487 0.080 0.000 0.993 396 N HN 0.509 nan 8.380 nan 0.000 0.426 397 Y N 1.865 122.198 120.300 0.055 0.000 2.242 397 Y HA -0.120 4.429 4.550 -0.000 0.000 0.291 397 Y C 2.334 178.302 175.900 0.113 0.000 1.137 397 Y CA 1.360 59.504 58.100 0.073 0.000 1.181 397 Y CB -0.375 38.125 38.460 0.067 0.000 0.989 397 Y HN 0.005 nan 8.280 nan 0.000 0.527 398 T N -0.051 114.624 114.554 0.201 0.000 2.746 398 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 398 T C 1.801 176.571 174.700 0.116 0.000 1.039 398 T CA 1.803 64.029 62.100 0.210 0.000 1.142 398 T CB -0.153 68.905 68.868 0.316 0.000 0.866 398 T HN 0.232 nan 8.240 nan 0.000 0.444 399 K N 0.453 120.905 120.400 0.088 0.000 2.057 399 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 399 K C 2.177 178.773 176.600 -0.005 0.000 1.049 399 K CA 0.823 57.144 56.287 0.057 0.000 0.931 399 K CB -0.354 32.177 32.500 0.053 0.000 0.714 399 K HN 0.126 nan 8.250 nan 0.000 0.440 400 L N 1.347 122.527 121.223 -0.071 0.000 1.994 400 L HA -0.193 4.146 4.340 -0.000 0.000 0.208 400 L C 1.875 178.667 176.870 -0.130 0.000 1.071 400 L CA 1.641 56.406 54.840 -0.125 0.000 0.745 400 L CB -0.396 41.525 42.059 -0.229 0.000 0.892 400 L HN 0.104 nan 8.230 nan 0.000 0.431 401 I N -0.285 120.176 120.570 -0.182 0.000 2.127 401 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 401 I C 2.628 178.747 176.117 0.003 0.000 1.075 401 I CA 1.715 62.968 61.300 -0.079 0.000 1.334 401 I CB -1.295 36.697 38.000 -0.013 0.000 1.040 401 I HN 0.337 nan 8.210 nan 0.000 0.405 402 L N 0.640 121.879 121.223 0.026 0.000 2.083 402 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 402 L C 2.726 179.600 176.870 0.008 0.000 1.083 402 L CA 1.703 56.562 54.840 0.032 0.000 0.752 402 L CB -0.693 41.398 42.059 0.055 0.000 0.899 402 L HN 0.361 nan 8.230 nan 0.000 0.433 403 S N -0.891 114.808 115.700 -0.002 0.000 2.447 403 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 403 S C 1.518 176.113 174.600 -0.008 0.000 1.006 403 S CA 0.780 58.976 58.200 -0.008 0.000 0.957 403 S CB -0.102 63.092 63.200 -0.010 0.000 0.773 403 S HN 0.356 nan 8.310 nan 0.000 0.507 404 E N 0.999 121.195 120.200 -0.006 0.000 2.451 404 E HA 0.200 4.550 4.350 -0.000 0.000 0.194 404 E C 1.558 178.169 176.600 0.017 0.000 1.027 404 E CA -0.225 56.178 56.400 0.004 0.000 0.914 404 E CB -0.146 29.556 29.700 0.004 0.000 1.054 404 E HN 0.574 nan 8.360 nan 0.000 0.461 405 R N 1.226 121.731 120.500 0.008 0.000 2.134 405 R HA -0.242 4.098 4.340 -0.000 0.000 0.248 405 R C 1.078 177.368 176.300 -0.017 0.000 1.143 405 R CA 1.846 57.945 56.100 -0.001 0.000 0.957 405 R CB 0.265 30.552 30.300 -0.022 0.000 0.867 405 R HN 0.017 nan 8.270 nan 0.000 0.441 406 E N -0.384 119.803 120.200 -0.021 0.000 2.072 406 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 406 E C 2.050 178.648 176.600 -0.004 0.000 0.982 406 E CA 1.044 57.427 56.400 -0.029 0.000 0.803 406 E CB -0.177 29.506 29.700 -0.028 0.000 0.755 406 E HN 0.269 nan 8.360 nan 0.000 0.453 407 R N 0.162 120.671 120.500 0.015 0.000 2.115 407 R HA -0.033 4.306 4.340 -0.000 0.000 0.230 407 R C 1.658 178.002 176.300 0.072 0.000 1.111 407 R CA 0.937 57.060 56.100 0.037 0.000 0.976 407 R CB -0.061 30.261 30.300 0.036 0.000 0.870 407 R HN 0.202 nan 8.270 nan 0.000 0.445 408 L N -0.686 120.589 121.223 0.087 0.000 2.509 408 L HA 0.227 4.567 4.340 -0.000 0.000 0.222 408 L C 1.045 178.012 176.870 0.162 0.000 1.123 408 L CA 0.453 55.391 54.840 0.163 0.000 0.856 408 L CB 0.357 42.530 42.059 0.189 0.000 0.985 408 L HN 0.470 nan 8.230 nan 0.000 0.456 409 G N 1.327 110.155 108.800 0.046 0.000 2.246 409 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 409 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 409 G C -0.101 174.678 174.900 -0.202 0.000 1.055 409 G CA -0.245 44.820 45.100 -0.058 0.000 0.851 409 G HN 0.144 nan 8.290 nan 0.000 0.500 410 I N 0.985 121.468 120.570 -0.146 0.000 2.347 410 I HA 0.294 4.464 4.170 -0.000 0.000 0.294 410 I C 0.869 176.751 176.117 -0.393 0.000 1.090 410 I CA -0.067 61.115 61.300 -0.197 0.000 1.314 410 I CB 0.573 38.569 38.000 -0.007 0.000 1.423 410 I HN 0.188 nan 8.210 nan 0.000 0.503 411 K N 3.228 123.082 120.400 -0.910 0.000 2.132 411 K HA 0.490 4.810 4.320 -0.000 0.000 0.241 411 K C 1.122 177.418 176.600 -0.506 0.000 1.000 411 K CA -0.411 55.332 56.287 -0.908 0.000 0.911 411 K CB 0.920 32.501 32.500 -1.531 0.000 1.093 411 K HN 0.598 nan 8.250 nan 0.000 0.460 412 T N -3.169 111.182 114.554 -0.339 0.000 3.040 412 T HA 0.070 4.420 4.350 -0.000 0.000 0.252 412 T C 0.619 175.259 174.700 -0.100 0.000 1.064 412 T CA -0.159 61.861 62.100 -0.134 0.000 1.110 412 T CB -0.080 68.728 68.868 -0.100 0.000 0.921 412 T HN 0.348 nan 8.240 nan 0.000 0.480 413 V N -1.286 118.498 119.914 -0.215 0.000 2.531 413 V HA 0.826 4.946 4.120 -0.000 0.000 0.301 413 V C -1.755 174.257 176.094 -0.136 0.000 1.034 413 V CA -1.665 60.588 62.300 -0.077 0.000 0.865 413 V CB 0.887 32.677 31.823 -0.056 0.000 0.995 413 V HN 0.372 nan 8.190 nan 0.000 0.424 414 W N 3.102 124.340 121.300 -0.103 0.000 2.962 414 W HA 0.764 5.424 4.660 -0.000 0.000 0.341 414 W C -2.926 173.593 176.519 -0.001 0.000 1.155 414 W CA -2.582 54.736 57.345 -0.045 0.000 1.165 414 W CB 1.425 30.875 29.460 -0.017 0.000 1.435 414 W HN 0.307 nan 8.180 nan 0.000 0.546 415 P HA 0.178 nan 4.420 nan 0.000 0.287 415 P C 0.757 178.199 177.300 0.237 0.000 1.281 415 P CA 0.140 63.361 63.100 0.200 0.000 0.781 415 P CB 1.111 32.909 31.700 0.162 0.000 0.903 416 T N 2.689 117.345 114.554 0.170 0.000 2.737 416 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 416 T C 1.589 176.373 174.700 0.139 0.000 1.040 416 T CA 1.497 63.691 62.100 0.156 0.000 1.142 416 T CB -0.356 68.574 68.868 0.102 0.000 0.861 416 T HN 0.466 nan 8.240 nan 0.000 0.456 417 R N 1.086 121.655 120.500 0.114 0.000 2.091 417 R HA -0.094 4.245 4.340 -0.000 0.000 0.238 417 R C 2.511 178.872 176.300 0.101 0.000 1.136 417 R CA 1.486 57.636 56.100 0.084 0.000 0.959 417 R CB -0.298 30.045 30.300 0.072 0.000 0.856 417 R HN 0.563 nan 8.270 nan 0.000 0.437 418 E N -0.047 120.257 120.200 0.173 0.000 2.072 418 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 418 E C 1.749 178.489 176.600 0.234 0.000 0.985 418 E CA 1.018 57.561 56.400 0.240 0.000 0.801 418 E CB -0.190 29.716 29.700 0.343 0.000 0.750 418 E HN 0.317 nan 8.360 nan 0.000 0.452 419 Y N 1.913 122.214 120.300 0.003 0.000 2.224 419 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 419 Y C 2.318 178.100 175.900 -0.197 0.000 1.146 419 Y CA 1.539 59.349 58.100 -0.483 0.000 1.182 419 Y CB -0.449 37.567 38.460 -0.740 0.000 0.983 419 Y HN -0.106 nan 8.280 nan 0.000 0.524 420 T N 0.247 114.651 114.554 -0.249 0.000 2.777 420 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 420 T C 1.388 175.990 174.700 -0.165 0.000 1.040 420 T CA 1.619 63.572 62.100 -0.245 0.000 1.141 420 T CB -0.272 68.543 68.868 -0.088 0.000 0.868 420 T HN 0.366 nan 8.240 nan 0.000 0.444 421 D N 0.633 121.004 120.400 -0.049 0.000 2.117 421 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 421 D C 1.721 178.044 176.300 0.038 0.000 0.987 421 D CA 0.694 54.695 54.000 0.002 0.000 0.829 421 D CB -0.483 40.341 40.800 0.041 0.000 0.961 421 D HN 0.385 nan 8.370 nan 0.000 0.460 422 F N 2.216 122.110 119.950 -0.093 0.000 2.126 422 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 422 F C 2.226 177.978 175.800 -0.079 0.000 1.096 422 F CA 1.438 59.429 58.000 -0.016 0.000 1.255 422 F CB -0.016 38.927 39.000 -0.095 0.000 0.997 422 F HN -0.204 nan 8.300 nan 0.000 0.479 423 R N 0.394 120.653 120.500 -0.402 0.000 2.081 423 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 423 R C 2.142 178.312 176.300 -0.218 0.000 1.131 423 R CA 1.962 57.789 56.100 -0.454 0.000 0.960 423 R CB -0.564 29.470 30.300 -0.443 0.000 0.856 423 R HN 0.452 nan 8.270 nan 0.000 0.436 424 E N -0.118 120.007 120.200 -0.126 0.000 2.031 424 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 424 E C 1.693 178.307 176.600 0.024 0.000 0.994 424 E CA 1.089 57.466 56.400 -0.038 0.000 0.800 424 E CB -0.265 29.426 29.700 -0.015 0.000 0.752 424 E HN 0.273 nan 8.360 nan 0.000 0.447 425 Y N 0.106 120.335 120.300 -0.118 0.000 2.465 425 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 425 Y C 1.652 177.479 175.900 -0.122 0.000 1.150 425 Y CA 0.918 58.962 58.100 -0.093 0.000 1.293 425 Y CB -0.145 38.291 38.460 -0.040 0.000 0.977 425 Y HN 0.073 nan 8.280 nan 0.000 0.556 426 F N -0.656 119.090 119.950 -0.340 0.000 2.274 426 F HA 0.157 4.684 4.527 0.000 0.000 0.288 426 F C 1.237 176.879 175.800 -0.264 0.000 1.069 426 F CA 0.193 57.947 58.000 -0.411 0.000 1.343 426 F CB -0.240 38.397 39.000 -0.605 0.000 1.089 426 F HN -0.214 nan 8.300 nan 0.000 0.517 427 M N 0.000 119.587 119.600 -0.022 0.000 2.572 427 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 427 M CA 0.000 55.251 55.300 -0.082 0.000 0.988 427 M CB 0.000 32.603 32.600 0.005 0.000 1.302 427 M HN 0.000 nan 8.290 nan 0.000 0.411