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 2q09_1_A DATA FIRST_RESID 4 DATA SEQUENCE NCERVWLNVT PATLRSDLAD YGLLEPHALG VHEGRIHALV PXQDLKXXYP DATA SEQUENCE AHWQDXKGKL VTPGLIDCHT HLIFAGSRAE EFELRQKGVP YAEIARKGGG DATA SEQUENCE IISTVRATRA ASEDQLFELA LPRVKSLIRE GVTTVEIKSG YGLTLEDELK DATA SEQUENCE XLRVARRLGE ALPIRVKTTL LAAHAVPPEY RDDPDSWVET ICQEIIPAAA DATA SEQUENCE EAGLADAVDV FCEHIGFSLA QTEQVYLAAD QYGLAVKGHX DQLSNLGGST DATA SEQUENCE LAANFGALSV DHLEYLDPEG IQALAHRGVV ATLLPTAFYF LKETKLPPVV DATA SEQUENCE ALRKAGVPXA VSSDINPGTA PIVSLRXAXN XACTLFGLTP VEAXAGVTRH DATA SEQUENCE AARALGEQEQ LGQLRVGXLA DFLVWNCGHP AELSYLIGVD QLVSRVVNGE DATA SEQUENCE ETLH 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.457 175.510 -0.088 0.000 1.280 4 N CA 0.000 53.094 53.050 0.074 0.000 0.885 4 N CB 0.000 38.499 38.487 0.020 0.000 1.341 5 C N -0.508 118.822 119.300 0.050 0.000 2.994 5 C HA 0.656 5.114 4.460 -0.003 0.000 0.305 5 C C 1.551 176.661 174.990 0.200 0.000 1.251 5 C CA -0.869 58.183 59.018 0.056 0.000 1.478 5 C CB 2.273 30.070 27.740 0.096 0.000 1.922 5 C HN 0.577 nan 8.230 nan 0.000 0.472 6 E N 1.426 121.774 120.200 0.245 0.000 2.110 6 E HA -0.129 4.219 4.350 -0.003 0.000 0.193 6 E C 0.131 176.890 176.600 0.265 0.000 0.988 6 E CA 1.011 57.558 56.400 0.246 0.000 0.804 6 E CB 0.056 29.863 29.700 0.178 0.000 0.745 6 E HN 0.804 nan 8.360 nan 0.000 0.458 7 R N 0.209 120.797 120.500 0.146 0.000 2.750 7 R HA 0.686 5.024 4.340 -0.003 0.000 0.281 7 R C -1.114 175.031 176.300 -0.259 0.000 0.972 7 R CA -0.775 55.295 56.100 -0.051 0.000 0.912 7 R CB 2.748 33.057 30.300 0.014 0.000 1.187 7 R HN -0.133 nan 8.270 nan 0.000 0.464 8 V N 1.805 121.277 119.914 -0.738 0.000 2.733 8 V HA 0.372 4.490 4.120 -0.003 0.000 0.306 8 V C -0.996 174.659 176.094 -0.733 0.000 1.084 8 V CA -0.814 60.997 62.300 -0.815 0.000 0.905 8 V CB 2.433 33.134 31.823 -1.871 0.000 1.010 8 V HN 0.680 nan 8.190 nan 0.000 0.424 9 W N 5.648 126.745 121.300 -0.340 0.000 2.294 9 W HA 0.581 5.239 4.660 -0.003 0.000 0.314 9 W C -0.599 175.778 176.519 -0.236 0.000 1.044 9 W CA -0.526 56.696 57.345 -0.204 0.000 1.284 9 W CB 1.647 31.031 29.460 -0.127 0.000 1.231 9 W HN 0.378 nan 8.180 nan 0.000 0.419 10 L N 4.337 125.504 121.223 -0.093 0.000 2.399 10 L HA 0.247 4.585 4.340 -0.003 0.000 0.266 10 L C 0.865 177.724 176.870 -0.018 0.000 1.114 10 L CA -0.574 54.199 54.840 -0.113 0.000 0.804 10 L CB 0.414 42.358 42.059 -0.190 0.000 1.146 10 L HN 0.416 nan 8.230 nan 0.000 0.451 11 N N 0.668 119.358 118.700 -0.017 0.000 2.696 11 N HA -0.142 4.596 4.740 -0.003 0.000 0.256 11 N C -0.775 174.759 175.510 0.040 0.000 1.031 11 N CA 0.668 53.730 53.050 0.020 0.000 0.730 11 N CB -1.210 37.295 38.487 0.029 0.000 0.894 11 N HN 0.431 nan 8.380 nan 0.000 0.544 12 V N -2.507 117.430 119.914 0.038 0.000 2.547 12 V HA 0.633 4.751 4.120 -0.003 0.000 0.299 12 V C 0.800 176.906 176.094 0.021 0.000 1.040 12 V CA -0.552 61.765 62.300 0.027 0.000 0.913 12 V CB 2.187 33.999 31.823 -0.018 0.000 0.992 12 V HN 0.155 nan 8.190 nan 0.000 0.449 13 T N 6.879 121.438 114.554 0.010 0.000 2.891 13 T HA 0.369 4.717 4.350 -0.003 0.000 0.315 13 T C -2.451 172.218 174.700 -0.052 0.000 1.054 13 T CA -0.755 61.341 62.100 -0.005 0.000 0.958 13 T CB 0.644 69.509 68.868 -0.005 0.000 1.008 13 T HN 0.767 nan 8.240 nan 0.000 0.521 14 P HA 0.332 nan 4.420 nan 0.000 0.276 14 P C -0.902 176.319 177.300 -0.132 0.000 1.253 14 P CA -0.475 62.537 63.100 -0.147 0.000 0.766 14 P CB 0.753 32.303 31.700 -0.250 0.000 0.845 15 A N 3.435 126.194 122.820 -0.102 0.000 2.736 15 A HA 0.338 4.655 4.320 -0.003 0.000 0.335 15 A C 1.527 179.080 177.584 -0.052 0.000 1.446 15 A CA -0.257 51.732 52.037 -0.079 0.000 1.028 15 A CB -0.540 18.392 19.000 -0.113 0.000 1.154 15 A HN 0.585 nan 8.150 nan 0.000 0.507 16 T N -0.042 114.468 114.554 -0.074 0.000 2.881 16 T HA -0.095 4.253 4.350 -0.003 0.000 0.270 16 T C 1.018 175.691 174.700 -0.044 0.000 1.068 16 T CA 0.960 63.014 62.100 -0.078 0.000 1.131 16 T CB -0.456 68.350 68.868 -0.103 0.000 0.871 16 T HN 0.980 nan 8.240 nan 0.000 0.479 17 L N 0.498 121.709 121.223 -0.020 0.000 3.843 17 L HA -0.160 4.178 4.340 -0.003 0.000 0.411 17 L C 0.296 177.134 176.870 -0.053 0.000 1.205 17 L CA 0.695 55.518 54.840 -0.029 0.000 0.945 17 L CB -2.098 39.946 42.059 -0.025 0.000 1.929 17 L HN 0.585 nan 8.230 nan 0.000 0.934 18 R N 0.022 120.493 120.500 -0.048 0.000 2.537 18 R HA 0.087 4.425 4.340 -0.003 0.000 0.280 18 R C 1.685 177.960 176.300 -0.041 0.000 1.058 18 R CA 0.552 56.625 56.100 -0.045 0.000 1.057 18 R CB 0.555 30.829 30.300 -0.043 0.000 0.973 18 R HN 0.400 nan 8.270 nan 0.000 0.438 19 S N 1.035 116.715 115.700 -0.032 0.000 2.442 19 S HA -0.156 4.312 4.470 -0.003 0.000 0.236 19 S C 1.093 175.686 174.600 -0.012 0.000 1.007 19 S CA 1.401 59.590 58.200 -0.018 0.000 0.965 19 S CB -0.050 63.148 63.200 -0.002 0.000 0.773 19 S HN 0.793 nan 8.310 nan 0.000 0.504 20 D N 0.554 120.944 120.400 -0.016 0.000 2.349 20 D HA 0.174 4.812 4.640 -0.003 0.000 0.214 20 D C 0.281 176.572 176.300 -0.016 0.000 1.063 20 D CA -0.206 53.786 54.000 -0.013 0.000 0.847 20 D CB -0.168 40.625 40.800 -0.012 0.000 0.933 20 D HN 0.396 nan 8.370 nan 0.000 0.513 21 L N 0.828 122.037 121.223 -0.022 0.000 2.334 21 L HA 0.627 4.965 4.340 -0.003 0.000 0.276 21 L C 0.438 177.291 176.870 -0.028 0.000 1.014 21 L CA -1.343 53.483 54.840 -0.022 0.000 0.815 21 L CB 1.926 43.970 42.059 -0.025 0.000 1.268 21 L HN -0.102 nan 8.230 nan 0.000 0.428 22 A N 1.625 124.431 122.820 -0.023 0.000 2.425 22 A HA 0.269 4.587 4.320 -0.003 0.000 0.242 22 A C 0.375 177.930 177.584 -0.049 0.000 1.077 22 A CA -0.068 51.950 52.037 -0.032 0.000 0.781 22 A CB 0.078 19.067 19.000 -0.018 0.000 1.020 22 A HN 0.978 nan 8.150 nan 0.000 0.494 23 D N -0.465 119.877 120.400 -0.097 0.000 3.899 23 D HA -0.292 4.346 4.640 -0.003 0.000 0.146 23 D C 0.636 176.774 176.300 -0.270 0.000 0.820 23 D CA 2.887 56.762 54.000 -0.208 0.000 1.056 23 D CB -1.015 39.721 40.800 -0.107 0.000 0.474 23 D HN 0.714 nan 8.370 nan 0.000 0.457 24 Y N 1.090 121.362 120.300 -0.048 0.000 2.490 24 Y HA 0.352 4.900 4.550 -0.003 0.000 0.281 24 Y C 2.011 177.860 175.900 -0.086 0.000 1.174 24 Y CA 0.843 58.895 58.100 -0.081 0.000 1.295 24 Y CB 0.325 38.710 38.460 -0.125 0.000 1.062 24 Y HN 0.607 nan 8.280 nan 0.000 0.522 25 G N 1.197 110.026 108.800 0.049 0.000 2.273 25 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.280 25 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.280 25 G C -0.012 174.880 174.900 -0.013 0.000 1.047 25 G CA -0.078 45.022 45.100 0.001 0.000 0.869 25 G HN 0.301 nan 8.290 nan 0.000 0.502 26 L N -0.630 120.599 121.223 0.010 0.000 2.416 26 L HA 0.558 4.896 4.340 -0.003 0.000 0.272 26 L C 1.031 177.876 176.870 -0.041 0.000 1.161 26 L CA -0.183 54.635 54.840 -0.037 0.000 0.845 26 L CB 0.661 42.694 42.059 -0.043 0.000 1.119 26 L HN 0.206 nan 8.230 nan 0.000 0.464 27 L N 1.962 123.142 121.223 -0.071 0.000 2.257 27 L HA 0.456 4.794 4.340 -0.003 0.000 0.257 27 L C -0.006 176.882 176.870 0.030 0.000 1.033 27 L CA -0.981 53.834 54.840 -0.041 0.000 0.835 27 L CB 1.764 43.716 42.059 -0.179 0.000 1.398 27 L HN 0.593 nan 8.230 nan 0.000 0.429 28 E N 0.231 120.507 120.200 0.127 0.000 2.410 28 E HA 0.215 4.563 4.350 -0.003 0.000 0.255 28 E C -2.495 174.242 176.600 0.228 0.000 1.194 28 E CA -1.716 54.763 56.400 0.132 0.000 0.955 28 E CB -0.360 29.402 29.700 0.103 0.000 0.988 28 E HN 0.207 nan 8.360 nan 0.000 0.461 29 P HA 0.010 nan 4.420 nan 0.000 0.264 29 P C -1.191 176.209 177.300 0.167 0.000 1.183 29 P CA 0.760 63.935 63.100 0.125 0.000 0.763 29 P CB 0.353 32.085 31.700 0.054 0.000 0.807 30 H N 0.359 119.405 119.070 -0.040 0.000 2.906 30 H HA 0.781 5.335 4.556 -0.004 0.000 0.337 30 H C -0.636 174.647 175.328 -0.074 0.000 1.257 30 H CA -0.777 55.238 56.048 -0.055 0.000 1.192 30 H CB 1.433 31.151 29.762 -0.074 0.000 1.912 30 H HN 0.339 nan 8.280 nan 0.000 0.573 31 A N 1.275 124.112 122.820 0.028 0.000 2.318 31 A HA 0.549 4.867 4.320 -0.003 0.000 0.317 31 A C -1.315 176.225 177.584 -0.073 0.000 1.159 31 A CA -0.587 51.406 52.037 -0.074 0.000 0.799 31 A CB 0.441 19.354 19.000 -0.145 0.000 1.194 31 A HN 0.560 nan 8.150 nan 0.000 0.479 32 L N 3.304 124.472 121.223 -0.091 0.000 2.298 32 L HA 0.750 5.088 4.340 -0.003 0.000 0.284 32 L C 0.236 177.093 176.870 -0.022 0.000 1.013 32 L CA -0.351 54.417 54.840 -0.120 0.000 0.824 32 L CB 1.376 43.238 42.059 -0.328 0.000 1.221 32 L HN 0.782 nan 8.230 nan 0.000 0.418 33 G N 4.124 112.907 108.800 -0.028 0.000 2.416 33 G HA2 0.579 4.537 3.960 -0.003 0.000 0.329 33 G HA3 0.579 4.537 3.960 -0.003 0.000 0.329 33 G C -1.033 173.969 174.900 0.169 0.000 1.173 33 G CA -0.460 44.658 45.100 0.029 0.000 0.929 33 G HN 0.586 nan 8.290 nan 0.000 0.475 34 V N -0.261 119.806 119.914 0.256 0.000 2.715 34 V HA 0.860 4.978 4.120 -0.003 0.000 0.310 34 V C -1.020 175.220 176.094 0.243 0.000 1.054 34 V CA -1.190 61.273 62.300 0.270 0.000 0.928 34 V CB 1.769 33.788 31.823 0.326 0.000 1.007 34 V HN 0.909 nan 8.190 nan 0.000 0.437 35 H N 1.438 120.544 119.070 0.060 0.000 2.934 35 H HA 0.437 4.990 4.556 -0.003 0.000 0.340 35 H C -0.259 175.060 175.328 -0.015 0.000 1.008 35 H CA 0.079 56.084 56.048 -0.070 0.000 1.317 35 H CB 1.397 30.905 29.762 -0.423 0.000 1.670 35 H HN 1.022 nan 8.280 nan 0.000 0.516 36 E N 3.595 123.540 120.200 -0.424 0.000 2.210 36 E HA -0.233 4.115 4.350 -0.003 0.000 0.201 36 E C 0.875 177.417 176.600 -0.097 0.000 1.339 36 E CA 0.914 57.141 56.400 -0.287 0.000 0.699 36 E CB -1.266 28.212 29.700 -0.371 0.000 1.126 36 E HN 1.173 nan 8.360 nan 0.000 0.355 37 G N 0.017 108.795 108.800 -0.037 0.000 2.175 37 G HA2 -0.388 3.570 3.960 -0.003 0.000 0.265 37 G HA3 -0.388 3.570 3.960 -0.003 0.000 0.265 37 G C 0.252 175.171 174.900 0.031 0.000 0.979 37 G CA 0.958 46.058 45.100 -0.000 0.000 0.663 37 G HN 0.375 nan 8.290 nan 0.000 0.533 38 R N -0.992 119.545 120.500 0.062 0.000 2.854 38 R HA 0.631 4.969 4.340 -0.003 0.000 0.271 38 R C 0.153 176.537 176.300 0.141 0.000 0.994 38 R CA -1.209 54.946 56.100 0.092 0.000 0.945 38 R CB 1.350 31.706 30.300 0.093 0.000 1.194 38 R HN 0.157 nan 8.270 nan 0.000 0.476 39 I N 2.287 122.925 120.570 0.113 0.000 2.494 39 I HA -0.046 4.122 4.170 -0.003 0.000 0.289 39 I C 1.122 177.323 176.117 0.140 0.000 1.106 39 I CA 0.314 61.671 61.300 0.095 0.000 1.369 39 I CB 0.357 38.365 38.000 0.014 0.000 1.410 39 I HN 0.639 nan 8.210 nan 0.000 0.523 40 H N 5.624 124.730 119.070 0.059 0.000 2.486 40 H HA 0.435 4.989 4.556 -0.003 0.000 0.287 40 H C 0.189 175.529 175.328 0.020 0.000 1.010 40 H CA 0.775 56.859 56.048 0.061 0.000 1.324 40 H CB 0.582 30.403 29.762 0.099 0.000 1.446 40 H HN 0.690 nan 8.280 nan 0.000 0.537 41 A N -0.097 122.727 122.820 0.007 0.000 2.594 41 A HA 0.506 4.824 4.320 -0.003 0.000 0.296 41 A C -1.877 175.685 177.584 -0.036 0.000 1.061 41 A CA -0.687 51.315 52.037 -0.058 0.000 0.689 41 A CB 0.849 19.811 19.000 -0.063 0.000 1.280 41 A HN 0.171 nan 8.150 nan 0.000 0.406 42 L N 2.246 123.459 121.223 -0.017 0.000 2.427 42 L HA 0.543 4.881 4.340 -0.003 0.000 0.264 42 L C -1.310 175.641 176.870 0.136 0.000 0.989 42 L CA -0.633 54.233 54.840 0.042 0.000 0.865 42 L CB 1.766 43.825 42.059 0.001 0.000 1.209 42 L HN 0.526 nan 8.230 nan 0.000 0.430 43 V N 4.770 124.733 119.914 0.083 0.000 2.487 43 V HA 0.470 4.588 4.120 -0.003 0.000 0.298 43 V C -1.910 173.994 176.094 -0.318 0.000 1.028 43 V CA -1.613 60.657 62.300 -0.050 0.000 0.860 43 V CB 1.876 33.670 31.823 -0.047 0.000 0.991 43 V HN 0.491 nan 8.190 nan 0.000 0.427 47 D N 1.527 121.910 120.400 -0.028 0.000 2.325 47 D HA 0.362 5.000 4.640 -0.003 0.000 0.234 47 D C -0.367 175.953 176.300 0.033 0.000 1.122 47 D CA 0.515 54.510 54.000 -0.007 0.000 0.850 47 D CB 0.434 41.216 40.800 -0.030 0.000 0.921 47 D HN 0.267 nan 8.370 nan 0.000 0.513 48 L N -0.917 120.344 121.223 0.062 0.000 2.465 48 L HA 0.759 5.097 4.340 -0.003 0.000 0.257 48 L C 0.082 177.050 176.870 0.163 0.000 0.988 48 L CA -0.821 54.104 54.840 0.142 0.000 0.827 48 L CB 1.984 44.161 42.059 0.197 0.000 1.397 48 L HN -0.184 nan 8.230 nan 0.000 0.410 53 P HA 0.152 nan 4.420 nan 0.000 0.273 53 P C 0.560 177.690 177.300 -0.283 0.000 1.252 53 P CA 0.979 63.772 63.100 -0.512 0.000 0.809 53 P CB 0.806 32.304 31.700 -0.336 0.000 1.017 54 A N -0.114 122.677 122.820 -0.048 0.000 2.178 54 A HA -0.085 4.233 4.320 -0.003 0.000 0.211 54 A C 1.723 179.363 177.584 0.093 0.000 1.157 54 A CA 0.483 52.539 52.037 0.031 0.000 0.780 54 A CB -1.166 17.855 19.000 0.034 0.000 0.828 54 A HN 0.754 nan 8.150 nan 0.000 0.476 55 H N -3.453 115.638 119.070 0.035 0.000 2.539 55 H HA 0.006 4.560 4.556 -0.004 0.000 0.267 55 H C -0.595 174.828 175.328 0.158 0.000 0.982 55 H CA -0.450 55.644 56.048 0.076 0.000 1.146 55 H CB -0.485 29.321 29.762 0.073 0.000 1.382 55 H HN 0.443 nan 8.280 nan 0.000 0.577 56 W N 3.334 124.318 121.300 -0.528 0.000 2.304 56 W HA 0.290 4.947 4.660 -0.004 0.000 0.313 56 W C 0.211 176.524 176.519 -0.344 0.000 1.323 56 W CA -0.695 56.344 57.345 -0.510 0.000 1.223 56 W CB 0.491 29.701 29.460 -0.418 0.000 1.237 56 W HN 0.159 nan 8.180 nan 0.000 0.535 57 Q N 2.603 122.238 119.800 -0.275 0.000 2.296 57 Q HA 0.093 4.431 4.340 -0.003 0.000 0.257 57 Q C -0.009 175.916 176.000 -0.125 0.000 0.942 57 Q CA -0.558 55.114 55.803 -0.218 0.000 0.939 57 Q CB 1.637 30.161 28.738 -0.357 0.000 1.198 57 Q HN 0.324 nan 8.270 nan 0.000 0.429 61 G N 1.360 110.190 108.800 0.050 0.000 2.176 61 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.253 61 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.253 61 G C 0.054 174.982 174.900 0.047 0.000 0.979 61 G CA -0.005 45.122 45.100 0.045 0.000 0.641 61 G HN 0.119 nan 8.290 nan 0.000 0.530 62 K N 0.222 120.659 120.400 0.061 0.000 2.469 62 K HA 0.279 4.597 4.320 -0.003 0.000 0.274 62 K C 0.706 177.349 176.600 0.071 0.000 0.983 62 K CA -0.556 55.776 56.287 0.075 0.000 0.974 62 K CB 1.123 33.680 32.500 0.095 0.000 0.913 62 K HN 0.468 nan 8.250 nan 0.000 0.493 63 L N 2.439 123.712 121.223 0.084 0.000 2.453 63 L HA 0.108 4.446 4.340 -0.003 0.000 0.272 63 L C -0.436 176.524 176.870 0.150 0.000 1.182 63 L CA 0.162 55.045 54.840 0.072 0.000 0.858 63 L CB 0.877 42.957 42.059 0.035 0.000 1.120 63 L HN 0.341 nan 8.230 nan 0.000 0.474 64 V N 5.446 125.407 119.914 0.079 0.000 2.735 64 V HA 0.873 4.991 4.120 -0.003 0.000 0.310 64 V C -0.274 175.869 176.094 0.082 0.000 1.061 64 V CA 0.532 62.881 62.300 0.082 0.000 0.913 64 V CB 2.257 34.038 31.823 -0.070 0.000 1.005 64 V HN 1.155 nan 8.190 nan 0.000 0.428 65 T N 4.195 118.854 114.554 0.175 0.000 2.865 65 T HA 0.729 5.077 4.350 -0.003 0.000 0.294 65 T C -3.146 171.641 174.700 0.144 0.000 1.119 65 T CA -2.167 60.024 62.100 0.152 0.000 1.007 65 T CB 2.032 71.051 68.868 0.252 0.000 1.225 65 T HN 0.467 nan 8.240 nan 0.000 0.515 66 P HA 0.371 nan 4.420 nan 0.000 0.272 66 P C 0.375 177.729 177.300 0.091 0.000 1.240 66 P CA -0.048 63.103 63.100 0.084 0.000 0.791 66 P CB 0.129 31.854 31.700 0.042 0.000 0.978 67 G N 1.317 110.141 108.800 0.039 0.000 2.491 67 G HA2 0.285 4.243 3.960 -0.003 0.000 0.242 67 G HA3 0.285 4.243 3.960 -0.003 0.000 0.242 67 G C -0.291 174.634 174.900 0.042 0.000 1.266 67 G CA -0.493 44.611 45.100 0.006 0.000 0.844 67 G HN 0.374 nan 8.290 nan 0.000 0.571 68 L N 0.641 121.903 121.223 0.066 0.000 2.436 68 L HA 0.408 4.746 4.340 -0.003 0.000 0.265 68 L C 0.193 177.085 176.870 0.037 0.000 1.168 68 L CA -0.177 54.706 54.840 0.073 0.000 0.815 68 L CB 0.816 42.942 42.059 0.112 0.000 1.109 68 L HN 0.290 nan 8.230 nan 0.000 0.462 69 I N 1.259 121.850 120.570 0.035 0.000 2.466 69 I HA 0.217 4.385 4.170 -0.003 0.000 0.289 69 I C -0.927 175.209 176.117 0.032 0.000 1.026 69 I CA -0.413 60.902 61.300 0.025 0.000 1.078 69 I CB 2.171 40.182 38.000 0.019 0.000 1.249 69 I HN 0.462 nan 8.210 nan 0.000 0.429 70 D N 5.642 126.061 120.400 0.032 0.000 2.473 70 D HA 0.222 4.860 4.640 -0.003 0.000 0.226 70 D C 0.681 177.008 176.300 0.044 0.000 1.089 70 D CA -0.525 53.500 54.000 0.042 0.000 0.883 70 D CB 1.107 41.934 40.800 0.044 0.000 1.029 70 D HN 0.687 nan 8.370 nan 0.000 0.517 71 C N 2.591 121.922 119.300 0.051 0.000 2.578 71 C HA 0.348 4.806 4.460 -0.003 0.000 0.285 71 C C 0.751 175.785 174.990 0.074 0.000 1.297 71 C CA -0.648 58.398 59.018 0.045 0.000 1.690 71 C CB -1.930 25.834 27.740 0.039 0.000 1.773 71 C HN 0.658 nan 8.230 nan 0.000 0.594 72 H N 0.680 119.731 119.070 -0.033 0.000 3.059 72 H HA 0.451 5.005 4.556 -0.003 0.000 0.302 72 H C -0.473 174.850 175.328 -0.008 0.000 1.264 72 H CA 0.593 56.607 56.048 -0.057 0.000 1.615 72 H CB 0.542 30.249 29.762 -0.091 0.000 1.795 72 H HN 0.467 nan 8.280 nan 0.000 0.556 73 T N 0.891 115.475 114.554 0.051 0.000 2.896 73 T HA 0.308 4.656 4.350 -0.003 0.000 0.297 73 T C -0.485 174.229 174.700 0.024 0.000 1.108 73 T CA -0.835 61.359 62.100 0.157 0.000 1.004 73 T CB 1.839 70.791 68.868 0.140 0.000 1.159 73 T HN 0.700 nan 8.240 nan 0.000 0.499 74 H N 2.700 121.880 119.070 0.184 0.000 2.587 74 H HA 0.197 4.751 4.556 -0.003 0.000 0.245 74 H C 1.097 176.666 175.328 0.401 0.000 1.238 74 H CA -0.215 55.974 56.048 0.235 0.000 0.963 74 H CB 0.573 30.504 29.762 0.283 0.000 1.904 74 H HN 0.543 nan 8.280 nan 0.000 0.584 75 L N -1.595 119.858 121.223 0.383 0.000 2.456 75 L HA 0.165 4.503 4.340 -0.003 0.000 0.224 75 L C 0.577 177.587 176.870 0.233 0.000 1.148 75 L CA 1.257 56.312 54.840 0.358 0.000 0.825 75 L CB -0.364 41.794 42.059 0.165 0.000 0.937 75 L HN 0.136 nan 8.230 nan 0.000 0.450 76 I N 2.169 122.907 120.570 0.280 0.000 2.312 76 I HA 0.418 4.586 4.170 -0.003 0.000 0.291 76 I C -0.660 175.662 176.117 0.342 0.000 1.031 76 I CA -0.385 61.003 61.300 0.145 0.000 1.293 76 I CB 0.364 38.453 38.000 0.148 0.000 1.403 76 I HN 0.233 nan 8.210 nan 0.000 0.484 77 F N 4.754 124.768 119.950 0.106 0.000 2.829 77 F HA 0.784 5.310 4.527 -0.003 0.000 0.319 77 F C -1.136 174.654 175.800 -0.017 0.000 1.153 77 F CA -1.107 56.914 58.000 0.035 0.000 0.912 77 F CB 0.459 39.397 39.000 -0.104 0.000 1.292 77 F HN 0.350 nan 8.300 nan 0.000 0.447 78 A N 1.000 123.929 122.820 0.181 0.000 2.344 78 A HA 1.008 5.326 4.320 -0.003 0.000 0.307 78 A C 0.411 178.096 177.584 0.169 0.000 1.151 78 A CA -0.595 51.499 52.037 0.096 0.000 0.842 78 A CB 0.583 19.613 19.000 0.050 0.000 1.350 78 A HN 2.869 nan 8.150 nan 0.000 0.459 79 G N -1.016 107.844 108.800 0.101 0.000 2.828 79 G HA2 0.311 4.269 3.960 -0.003 0.000 0.463 79 G HA3 0.311 4.269 3.960 -0.003 0.000 0.463 79 G C -0.067 174.898 174.900 0.108 0.000 1.394 79 G CA 0.215 45.362 45.100 0.077 0.000 0.862 79 G HN 2.137 nan 8.290 nan 0.000 0.540 80 S N -1.049 114.684 115.700 0.055 0.000 2.572 80 S HA 0.670 5.138 4.470 -0.003 0.000 0.274 80 S C 0.696 175.306 174.600 0.018 0.000 1.150 80 S CA -0.434 57.794 58.200 0.047 0.000 0.944 80 S CB 1.341 64.576 63.200 0.058 0.000 1.071 80 S HN 0.755 nan 8.310 nan 0.000 0.479 81 R N 2.594 123.090 120.500 -0.006 0.000 2.427 81 R HA 0.252 4.590 4.340 -0.003 0.000 0.262 81 R C 1.714 178.069 176.300 0.091 0.000 0.943 81 R CA 0.573 56.685 56.100 0.021 0.000 1.081 81 R CB -0.279 30.009 30.300 -0.020 0.000 1.166 81 R HN 0.640 nan 8.270 nan 0.000 0.534 82 A N 1.730 124.601 122.820 0.086 0.000 1.877 82 A HA -0.191 4.127 4.320 -0.003 0.000 0.216 82 A C 1.940 179.636 177.584 0.187 0.000 1.186 82 A CA 1.296 53.420 52.037 0.145 0.000 0.620 82 A CB -0.195 18.865 19.000 0.100 0.000 0.822 82 A HN 0.293 nan 8.150 nan 0.000 0.443 83 E N -0.799 119.471 120.200 0.116 0.000 2.110 83 E HA -0.216 4.132 4.350 -0.003 0.000 0.193 83 E C 2.087 178.743 176.600 0.093 0.000 0.988 83 E CA 1.171 57.625 56.400 0.091 0.000 0.804 83 E CB -0.128 29.606 29.700 0.057 0.000 0.745 83 E HN 0.811 nan 8.360 nan 0.000 0.458 84 E N 0.241 120.506 120.200 0.108 0.000 2.077 84 E HA -0.221 4.127 4.350 -0.003 0.000 0.193 84 E C 1.881 178.564 176.600 0.138 0.000 0.989 84 E CA 0.859 57.324 56.400 0.108 0.000 0.800 84 E CB -0.120 29.648 29.700 0.114 0.000 0.746 84 E HN 0.192 nan 8.360 nan 0.000 0.452 85 F N 2.057 122.027 119.950 0.034 0.000 2.102 85 F HA -0.169 4.356 4.527 -0.003 0.000 0.298 85 F C 2.233 178.039 175.800 0.010 0.000 1.105 85 F CA 2.138 60.153 58.000 0.025 0.000 1.239 85 F CB -0.435 38.611 39.000 0.077 0.000 0.991 85 F HN 0.076 nan 8.300 nan 0.000 0.474 86 E N 0.365 120.566 120.200 0.001 0.000 2.058 86 E HA -0.238 4.110 4.350 -0.003 0.000 0.194 86 E C 2.321 178.835 176.600 -0.143 0.000 0.997 86 E CA 1.890 58.225 56.400 -0.109 0.000 0.801 86 E CB -0.423 29.289 29.700 0.019 0.000 0.746 86 E HN 0.547 nan 8.360 nan 0.000 0.450 87 L N 0.172 121.354 121.223 -0.068 0.000 2.042 87 L HA -0.199 4.139 4.340 -0.003 0.000 0.210 87 L C 2.877 179.691 176.870 -0.093 0.000 1.076 87 L CA 1.391 56.196 54.840 -0.058 0.000 0.749 87 L CB -0.414 41.637 42.059 -0.014 0.000 0.893 87 L HN 0.155 nan 8.230 nan 0.000 0.432 88 R N -0.622 119.803 120.500 -0.125 0.000 2.081 88 R HA -0.152 4.186 4.340 -0.003 0.000 0.235 88 R C 2.358 178.518 176.300 -0.234 0.000 1.131 88 R CA 1.036 57.046 56.100 -0.149 0.000 0.960 88 R CB -0.208 29.999 30.300 -0.154 0.000 0.856 88 R HN 0.386 nan 8.270 nan 0.000 0.436 89 Q N 0.764 120.333 119.800 -0.385 0.000 2.170 89 Q HA -0.134 4.204 4.340 -0.003 0.000 0.203 89 Q C 1.666 177.543 176.000 -0.205 0.000 0.976 89 Q CA 1.385 56.966 55.803 -0.369 0.000 0.858 89 Q CB -0.025 28.412 28.738 -0.503 0.000 0.907 89 Q HN 0.340 nan 8.270 nan 0.000 0.433 90 K N -0.941 119.363 120.400 -0.161 0.000 2.439 90 K HA 0.020 4.338 4.320 -0.003 0.000 0.197 90 K C 0.942 177.494 176.600 -0.080 0.000 1.041 90 K CA 0.651 56.878 56.287 -0.100 0.000 0.970 90 K CB 0.283 32.738 32.500 -0.075 0.000 0.773 90 K HN 0.364 nan 8.250 nan 0.000 0.479 91 G N 0.838 109.585 108.800 -0.087 0.000 2.168 91 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.197 91 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.197 91 G C 0.029 174.903 174.900 -0.043 0.000 0.997 91 G CA -0.302 44.760 45.100 -0.063 0.000 0.658 91 G HN 0.070 nan 8.290 nan 0.000 0.513 92 V N 2.170 122.060 119.914 -0.041 0.000 2.521 92 V HA 0.339 4.457 4.120 -0.003 0.000 0.286 92 V C -1.177 174.915 176.094 -0.003 0.000 1.034 92 V CA -0.948 61.338 62.300 -0.023 0.000 1.045 92 V CB 0.922 32.732 31.823 -0.021 0.000 0.974 92 V HN 0.182 nan 8.190 nan 0.000 0.480 93 P HA -0.032 nan 4.420 nan 0.000 0.265 93 P C 0.238 177.573 177.300 0.057 0.000 1.193 93 P CA 0.048 63.162 63.100 0.023 0.000 0.765 93 P CB 0.293 31.992 31.700 -0.000 0.000 0.823 94 Y N 4.105 124.384 120.300 -0.034 0.000 2.274 94 Y HA -0.221 4.327 4.550 -0.003 0.000 0.290 94 Y C 2.172 178.057 175.900 -0.024 0.000 1.145 94 Y CA 1.811 59.894 58.100 -0.029 0.000 1.203 94 Y CB -0.975 37.469 38.460 -0.027 0.000 0.984 94 Y HN 0.432 nan 8.280 nan 0.000 0.533 95 A N 0.067 122.795 122.820 -0.154 0.000 1.908 95 A HA -0.253 4.065 4.320 -0.003 0.000 0.218 95 A C 2.161 179.617 177.584 -0.214 0.000 1.181 95 A CA 2.019 53.923 52.037 -0.222 0.000 0.627 95 A CB -0.797 18.146 19.000 -0.095 0.000 0.818 95 A HN 0.503 nan 8.150 nan 0.000 0.445 96 E N 0.193 120.314 120.200 -0.132 0.000 2.072 96 E HA -0.120 4.228 4.350 -0.003 0.000 0.191 96 E C 1.679 178.207 176.600 -0.120 0.000 0.985 96 E CA 1.430 57.770 56.400 -0.101 0.000 0.801 96 E CB -0.417 29.248 29.700 -0.057 0.000 0.750 96 E HN 0.624 nan 8.360 nan 0.000 0.452 97 I N 0.379 120.872 120.570 -0.128 0.000 2.226 97 I HA -0.267 3.901 4.170 -0.003 0.000 0.245 97 I C 2.358 178.362 176.117 -0.188 0.000 1.100 97 I CA 1.180 62.422 61.300 -0.098 0.000 1.374 97 I CB -0.354 37.660 38.000 0.023 0.000 1.057 97 I HN 0.220 nan 8.210 nan 0.000 0.413 98 A N 1.626 124.189 122.820 -0.429 0.000 1.873 98 A HA -0.208 4.110 4.320 -0.003 0.000 0.215 98 A C 2.361 179.810 177.584 -0.226 0.000 1.186 98 A CA 1.711 53.492 52.037 -0.427 0.000 0.616 98 A CB -0.689 17.861 19.000 -0.749 0.000 0.823 98 A HN 0.493 nan 8.150 nan 0.000 0.442 99 R N -0.757 119.624 120.500 -0.199 0.000 2.159 99 R HA -0.074 4.264 4.340 -0.003 0.000 0.237 99 R C 0.698 176.944 176.300 -0.090 0.000 1.131 99 R CA 1.430 57.456 56.100 -0.124 0.000 0.982 99 R CB -0.329 29.909 30.300 -0.103 0.000 0.868 99 R HN 0.134 nan 8.270 nan 0.000 0.453 100 K N 0.517 120.865 120.400 -0.088 0.000 2.469 100 K HA 0.111 4.429 4.320 -0.003 0.000 0.201 100 K C 0.610 177.180 176.600 -0.050 0.000 1.028 100 K CA 0.622 56.874 56.287 -0.058 0.000 1.170 100 K CB 0.707 33.179 32.500 -0.047 0.000 0.874 100 K HN 0.567 nan 8.250 nan 0.000 0.507 101 G N 0.975 109.737 108.800 -0.063 0.000 2.149 101 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.235 101 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.235 101 G C 0.479 175.360 174.900 -0.030 0.000 1.018 101 G CA 0.043 45.115 45.100 -0.046 0.000 0.728 101 G HN 0.515 nan 8.290 nan 0.000 0.508 102 G N -1.224 107.556 108.800 -0.035 0.000 2.563 102 G HA2 0.861 4.819 3.960 -0.003 0.000 0.283 102 G HA3 0.861 4.819 3.960 -0.003 0.000 0.283 102 G C 1.005 175.944 174.900 0.066 0.000 1.309 102 G CA 1.004 46.115 45.100 0.019 0.000 1.022 102 G HN 2.012 nan 8.290 nan 0.000 0.501 103 G N -1.164 107.711 108.800 0.124 0.000 2.587 103 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.212 103 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.212 103 G C 1.047 175.965 174.900 0.030 0.000 1.327 103 G CA 0.192 45.373 45.100 0.136 0.000 0.898 103 G HN 1.379 nan 8.290 nan 0.000 0.551 104 I N -0.166 120.405 120.570 0.002 0.000 2.423 104 I HA -0.098 4.070 4.170 -0.003 0.000 0.254 104 I C 2.500 178.605 176.117 -0.020 0.000 1.151 104 I CA 2.116 63.393 61.300 -0.037 0.000 1.421 104 I CB -0.159 37.789 38.000 -0.085 0.000 1.079 104 I HN 0.571 nan 8.210 nan 0.000 0.431 105 I N 0.691 121.255 120.570 -0.010 0.000 2.394 105 I HA -0.258 3.910 4.170 -0.003 0.000 0.251 105 I C 2.643 178.753 176.117 -0.012 0.000 1.136 105 I CA 1.881 63.175 61.300 -0.010 0.000 1.425 105 I CB -0.406 37.584 38.000 -0.017 0.000 1.079 105 I HN 0.439 nan 8.210 nan 0.000 0.425 106 S N -1.502 114.188 115.700 -0.017 0.000 2.383 106 S HA -0.170 4.298 4.470 -0.003 0.000 0.227 106 S C 1.971 176.547 174.600 -0.040 0.000 1.026 106 S CA 1.670 59.858 58.200 -0.020 0.000 0.981 106 S CB -1.250 61.943 63.200 -0.013 0.000 0.818 106 S HN 0.475 nan 8.310 nan 0.000 0.472 107 T N 2.142 116.643 114.554 -0.089 0.000 2.821 107 T HA 0.032 4.380 4.350 -0.003 0.000 0.267 107 T C 1.876 176.526 174.700 -0.083 0.000 1.046 107 T CA 1.247 63.241 62.100 -0.176 0.000 1.139 107 T CB -0.487 68.104 68.868 -0.462 0.000 0.871 107 T HN 0.290 nan 8.240 nan 0.000 0.454 108 V N 1.604 121.521 119.914 0.005 0.000 2.295 108 V HA -0.175 3.943 4.120 -0.003 0.000 0.246 108 V C 2.612 178.739 176.094 0.055 0.000 1.049 108 V CA 1.623 63.975 62.300 0.087 0.000 1.024 108 V CB -0.523 31.349 31.823 0.082 0.000 0.648 108 V HN 0.398 nan 8.190 nan 0.000 0.447 109 R N 0.202 120.716 120.500 0.023 0.000 2.081 109 R HA -0.101 4.237 4.340 -0.003 0.000 0.235 109 R C 2.452 178.767 176.300 0.026 0.000 1.131 109 R CA 1.475 57.587 56.100 0.020 0.000 0.960 109 R CB -0.642 29.662 30.300 0.006 0.000 0.856 109 R HN 0.528 nan 8.270 nan 0.000 0.436 110 A N 0.502 123.334 122.820 0.020 0.000 1.902 110 A HA -0.137 4.181 4.320 -0.003 0.000 0.217 110 A C 2.151 179.762 177.584 0.045 0.000 1.181 110 A CA 1.861 53.914 52.037 0.027 0.000 0.623 110 A CB -0.684 18.329 19.000 0.022 0.000 0.818 110 A HN 0.268 nan 8.150 nan 0.000 0.443 111 T N -0.555 114.036 114.554 0.061 0.000 2.857 111 T HA -0.072 4.276 4.350 -0.003 0.000 0.266 111 T C 2.048 176.804 174.700 0.093 0.000 1.048 111 T CA 1.310 63.468 62.100 0.097 0.000 1.139 111 T CB -0.182 68.782 68.868 0.161 0.000 0.874 111 T HN 0.498 nan 8.240 nan 0.000 0.455 112 R N 1.085 121.635 120.500 0.083 0.000 2.081 112 R HA 0.060 4.398 4.340 -0.003 0.000 0.235 112 R C 2.759 179.092 176.300 0.055 0.000 1.131 112 R CA 1.307 57.451 56.100 0.072 0.000 0.960 112 R CB -0.396 29.940 30.300 0.060 0.000 0.856 112 R HN 0.336 nan 8.270 nan 0.000 0.436 113 A N 1.285 124.132 122.820 0.045 0.000 2.014 113 A HA 0.132 4.450 4.320 -0.003 0.000 0.218 113 A C 1.160 178.765 177.584 0.036 0.000 1.163 113 A CA 0.825 52.883 52.037 0.035 0.000 0.652 113 A CB -0.218 18.798 19.000 0.027 0.000 0.808 113 A HN 0.354 nan 8.150 nan 0.000 0.449 114 A N 0.736 123.581 122.820 0.042 0.000 2.425 114 A HA 0.497 4.815 4.320 -0.003 0.000 0.249 114 A C 0.868 178.477 177.584 0.043 0.000 1.084 114 A CA 0.275 52.336 52.037 0.039 0.000 0.781 114 A CB -0.081 18.943 19.000 0.041 0.000 1.019 114 A HN 0.973 nan 8.150 nan 0.000 0.490 115 S N 0.825 116.547 115.700 0.038 0.000 2.632 115 S HA 0.181 4.649 4.470 -0.003 0.000 0.267 115 S C 0.906 175.535 174.600 0.048 0.000 1.276 115 S CA 0.318 58.541 58.200 0.038 0.000 0.998 115 S CB 1.037 64.255 63.200 0.030 0.000 0.953 115 S HN 0.825 nan 8.310 nan 0.000 0.547 116 E N 0.646 120.872 120.200 0.043 0.000 2.085 116 E HA -0.236 4.112 4.350 -0.003 0.000 0.194 116 E C 0.849 177.492 176.600 0.071 0.000 0.994 116 E CA 1.744 58.174 56.400 0.051 0.000 0.801 116 E CB -0.207 29.508 29.700 0.025 0.000 0.743 116 E HN 0.753 nan 8.360 nan 0.000 0.453 117 D N 0.183 120.614 120.400 0.051 0.000 2.144 117 D HA -0.153 4.485 4.640 -0.003 0.000 0.199 117 D C 1.966 178.344 176.300 0.130 0.000 0.984 117 D CA 0.916 54.962 54.000 0.077 0.000 0.834 117 D CB -0.167 40.655 40.800 0.037 0.000 0.955 117 D HN 0.344 nan 8.370 nan 0.000 0.465 118 Q N -0.075 119.773 119.800 0.080 0.000 2.079 118 Q HA -0.013 4.325 4.340 -0.003 0.000 0.200 118 Q C 2.485 178.512 176.000 0.046 0.000 0.974 118 Q CA 0.571 56.408 55.803 0.057 0.000 0.840 118 Q CB 0.005 28.763 28.738 0.033 0.000 0.898 118 Q HN 0.299 nan 8.270 nan 0.000 0.430 119 L N -0.318 120.941 121.223 0.060 0.000 2.083 119 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 119 L C 2.279 179.173 176.870 0.039 0.000 1.083 119 L CA 0.906 55.764 54.840 0.030 0.000 0.752 119 L CB -0.402 41.694 42.059 0.062 0.000 0.899 119 L HN 0.225 nan 8.230 nan 0.000 0.433 120 F N 1.180 121.109 119.950 -0.035 0.000 2.102 120 F HA -0.207 4.318 4.527 -0.004 0.000 0.298 120 F C 2.574 178.347 175.800 -0.045 0.000 1.105 120 F CA 1.588 59.568 58.000 -0.034 0.000 1.239 120 F CB -0.104 38.883 39.000 -0.021 0.000 0.991 120 F HN 0.007 nan 8.300 nan 0.000 0.474 121 E N 0.627 120.812 120.200 -0.024 0.000 2.153 121 E HA -0.170 4.178 4.350 -0.003 0.000 0.194 121 E C 2.431 178.924 176.600 -0.180 0.000 0.988 121 E CA 1.218 57.543 56.400 -0.124 0.000 0.811 121 E CB -0.613 29.096 29.700 0.015 0.000 0.746 121 E HN 0.483 nan 8.360 nan 0.000 0.466 122 L N 0.133 121.263 121.223 -0.154 0.000 2.156 122 L HA -0.060 4.278 4.340 -0.003 0.000 0.208 122 L C 2.361 179.074 176.870 -0.262 0.000 1.095 122 L CA 0.936 55.660 54.840 -0.194 0.000 0.770 122 L CB -0.279 41.657 42.059 -0.206 0.000 0.914 122 L HN 0.042 nan 8.230 nan 0.000 0.439 123 A N -0.393 122.262 122.820 -0.275 0.000 2.021 123 A HA -0.008 4.310 4.320 -0.003 0.000 0.216 123 A C 2.192 179.613 177.584 -0.271 0.000 1.163 123 A CA 0.426 52.304 52.037 -0.266 0.000 0.676 123 A CB -0.317 18.563 19.000 -0.201 0.000 0.818 123 A HN 0.265 nan 8.150 nan 0.000 0.453 124 L N 0.375 121.371 121.223 -0.379 0.000 1.978 124 L HA -0.178 4.160 4.340 -0.003 0.000 0.218 124 L C -0.124 176.624 176.870 -0.203 0.000 1.075 124 L CA 2.287 56.914 54.840 -0.355 0.000 0.767 124 L CB -1.517 40.290 42.059 -0.419 0.000 0.890 124 L HN 0.299 nan 8.230 nan 0.000 0.434 125 P HA -0.181 nan 4.420 nan 0.000 0.219 125 P C 1.281 178.527 177.300 -0.090 0.000 1.146 125 P CA 1.556 64.590 63.100 -0.110 0.000 0.808 125 P CB -0.107 31.536 31.700 -0.095 0.000 0.779 126 R N -0.246 120.192 120.500 -0.104 0.000 2.066 126 R HA -0.023 4.315 4.340 -0.003 0.000 0.232 126 R C 2.459 178.728 176.300 -0.053 0.000 1.131 126 R CA 1.108 57.168 56.100 -0.067 0.000 0.955 126 R CB -1.140 29.116 30.300 -0.073 0.000 0.851 126 R HN 0.064 nan 8.270 nan 0.000 0.432 127 V N 1.749 121.619 119.914 -0.074 0.000 2.490 127 V HA -0.227 3.891 4.120 -0.003 0.000 0.250 127 V C 2.014 178.074 176.094 -0.055 0.000 1.061 127 V CA 1.657 63.922 62.300 -0.058 0.000 1.064 127 V CB -0.418 31.360 31.823 -0.073 0.000 0.670 127 V HN 0.294 nan 8.190 nan 0.000 0.461 128 K N -0.073 120.287 120.400 -0.068 0.000 2.147 128 K HA -0.111 4.207 4.320 -0.003 0.000 0.205 128 K C 2.421 178.994 176.600 -0.046 0.000 1.049 128 K CA 1.499 57.750 56.287 -0.060 0.000 0.936 128 K CB -0.230 32.231 32.500 -0.064 0.000 0.722 128 K HN 0.365 nan 8.250 nan 0.000 0.446 129 S N 1.287 116.965 115.700 -0.037 0.000 2.383 129 S HA -0.013 4.455 4.470 -0.003 0.000 0.227 129 S C 1.853 176.445 174.600 -0.014 0.000 1.026 129 S CA 0.819 59.005 58.200 -0.023 0.000 0.981 129 S CB -0.074 63.116 63.200 -0.017 0.000 0.818 129 S HN 0.195 nan 8.310 nan 0.000 0.472 130 L N 0.498 121.713 121.223 -0.013 0.000 2.056 130 L HA -0.090 4.248 4.340 -0.003 0.000 0.207 130 L C 2.097 178.958 176.870 -0.014 0.000 1.078 130 L CA 0.690 55.529 54.840 -0.003 0.000 0.749 130 L CB -0.572 41.488 42.059 0.001 0.000 0.901 130 L HN 0.264 nan 8.230 nan 0.000 0.433 131 I N 0.531 121.080 120.570 -0.035 0.000 2.118 131 I HA -0.314 3.854 4.170 -0.003 0.000 0.241 131 I C 2.757 178.832 176.117 -0.071 0.000 1.070 131 I CA 1.645 62.910 61.300 -0.057 0.000 1.327 131 I CB -0.690 37.270 38.000 -0.067 0.000 1.034 131 I HN 0.319 nan 8.210 nan 0.000 0.405 132 R N 0.501 120.966 120.500 -0.058 0.000 2.237 132 R HA -0.070 4.268 4.340 -0.003 0.000 0.219 132 R C 1.528 177.811 176.300 -0.028 0.000 1.080 132 R CA 1.123 57.186 56.100 -0.062 0.000 0.995 132 R CB -0.677 29.595 30.300 -0.045 0.000 0.875 132 R HN 0.436 nan 8.270 nan 0.000 0.462 133 E N 0.392 120.599 120.200 0.011 0.000 2.435 133 E HA 0.035 4.383 4.350 -0.003 0.000 0.195 133 E C 0.596 177.277 176.600 0.136 0.000 1.029 133 E CA 0.557 57.014 56.400 0.094 0.000 0.865 133 E CB 0.437 30.188 29.700 0.086 0.000 0.833 133 E HN 0.711 nan 8.360 nan 0.000 0.510 134 G N 0.986 109.782 108.800 -0.007 0.000 2.168 134 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.197 134 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.197 134 G C 0.210 175.105 174.900 -0.009 0.000 0.997 134 G CA -0.100 44.961 45.100 -0.065 0.000 0.658 134 G HN 0.106 nan 8.290 nan 0.000 0.513 135 V N 2.182 122.097 119.914 0.001 0.000 2.470 135 V HA 0.460 4.578 4.120 -0.003 0.000 0.276 135 V C 1.635 177.709 176.094 -0.033 0.000 1.040 135 V CA 1.225 63.526 62.300 0.002 0.000 1.008 135 V CB 1.101 32.930 31.823 0.010 0.000 0.990 135 V HN 0.668 nan 8.190 nan 0.000 0.477 136 T N -0.129 114.403 114.554 -0.035 0.000 2.985 136 T HA 0.162 4.510 4.350 -0.003 0.000 0.254 136 T C 0.585 175.261 174.700 -0.039 0.000 1.021 136 T CA -0.006 62.059 62.100 -0.058 0.000 0.957 136 T CB 0.369 69.186 68.868 -0.084 0.000 1.047 136 T HN 0.550 nan 8.240 nan 0.000 0.511 137 T N 1.572 116.114 114.554 -0.021 0.000 2.991 137 T HA 0.657 5.005 4.350 -0.003 0.000 0.303 137 T C -1.635 173.063 174.700 -0.003 0.000 1.015 137 T CA -0.549 61.543 62.100 -0.014 0.000 1.007 137 T CB 2.298 71.160 68.868 -0.011 0.000 1.034 137 T HN 0.159 nan 8.240 nan 0.000 0.446 138 V N 2.685 122.598 119.914 -0.003 0.000 2.789 138 V HA 0.660 4.778 4.120 -0.003 0.000 0.311 138 V C -0.910 175.183 176.094 -0.002 0.000 1.073 138 V CA -0.715 61.588 62.300 0.004 0.000 0.921 138 V CB 1.871 33.698 31.823 0.008 0.000 1.009 138 V HN 0.871 nan 8.190 nan 0.000 0.426 139 E N 5.847 126.044 120.200 -0.004 0.000 2.175 139 E HA 0.479 4.827 4.350 -0.003 0.000 0.278 139 E C -1.459 175.117 176.600 -0.041 0.000 0.969 139 E CA -0.456 55.926 56.400 -0.029 0.000 0.796 139 E CB 1.485 31.159 29.700 -0.044 0.000 1.104 139 E HN 0.701 nan 8.360 nan 0.000 0.395 140 I N 4.115 124.656 120.570 -0.049 0.000 2.466 140 I HA 0.305 4.473 4.170 -0.003 0.000 0.289 140 I C -0.050 176.011 176.117 -0.095 0.000 1.026 140 I CA -0.802 60.471 61.300 -0.046 0.000 1.078 140 I CB 1.858 39.860 38.000 0.004 0.000 1.249 140 I HN 0.245 nan 8.210 nan 0.000 0.429 141 K N 3.536 123.834 120.400 -0.169 0.000 2.106 141 K HA 0.541 4.859 4.320 -0.003 0.000 0.246 141 K C 0.295 176.823 176.600 -0.121 0.000 0.987 141 K CA -0.662 55.491 56.287 -0.223 0.000 0.904 141 K CB 1.728 33.942 32.500 -0.476 0.000 1.071 141 K HN 0.711 nan 8.250 nan 0.000 0.453 142 S N -0.485 115.152 115.700 -0.105 0.000 2.389 142 S HA 0.535 5.003 4.470 -0.003 0.000 0.230 142 S C 1.162 175.707 174.600 -0.092 0.000 1.197 142 S CA 0.098 58.283 58.200 -0.026 0.000 1.092 142 S CB 0.107 63.307 63.200 0.001 0.000 1.050 142 S HN 0.935 nan 8.310 nan 0.000 0.466 143 G N -0.954 107.836 108.800 -0.018 0.000 2.195 143 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.224 143 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.224 143 G C 0.120 175.049 174.900 0.048 0.000 0.990 143 G CA 0.387 45.481 45.100 -0.009 0.000 0.639 143 G HN 0.597 nan 8.290 nan 0.000 0.514 144 Y N 0.820 121.265 120.300 0.240 0.000 2.584 144 Y HA 0.481 5.029 4.550 -0.004 0.000 0.254 144 Y C 2.097 178.077 175.900 0.132 0.000 1.177 144 Y CA 0.182 58.392 58.100 0.183 0.000 1.216 144 Y CB 0.549 39.124 38.460 0.193 0.000 1.172 144 Y HN 0.259 nan 8.280 nan 0.000 0.529 145 G N -0.767 108.183 108.800 0.250 0.000 2.645 145 G HA2 0.076 4.034 3.960 -0.003 0.000 0.207 145 G HA3 0.076 4.034 3.960 -0.003 0.000 0.207 145 G C 0.734 175.724 174.900 0.150 0.000 1.145 145 G CA 0.028 45.239 45.100 0.185 0.000 0.831 145 G HN 0.270 nan 8.290 nan 0.000 0.563 146 L N 1.106 122.442 121.223 0.188 0.000 3.737 146 L HA -0.185 4.153 4.340 -0.003 0.000 0.418 146 L C 0.228 177.136 176.870 0.063 0.000 1.216 146 L CA 0.508 55.412 54.840 0.106 0.000 0.915 146 L CB -2.769 39.225 42.059 -0.110 0.000 1.834 146 L HN 0.630 nan 8.230 nan 0.000 0.943 147 T N -4.954 109.766 114.554 0.276 0.000 2.853 147 T HA 0.466 4.814 4.350 -0.003 0.000 0.311 147 T C 0.418 175.281 174.700 0.272 0.000 1.307 147 T CA -0.333 61.939 62.100 0.287 0.000 1.019 147 T CB 2.189 71.155 68.868 0.163 0.000 1.264 147 T HN 0.051 nan 8.240 nan 0.000 0.497 148 L N 0.849 122.207 121.223 0.225 0.000 1.989 148 L HA -0.033 4.305 4.340 -0.003 0.000 0.211 148 L C 2.523 179.448 176.870 0.091 0.000 1.071 148 L CA 1.910 56.825 54.840 0.124 0.000 0.749 148 L CB -0.394 41.715 42.059 0.083 0.000 0.890 148 L HN 0.886 nan 8.230 nan 0.000 0.431 149 E N 0.166 120.419 120.200 0.088 0.000 2.085 149 E HA -0.232 4.116 4.350 -0.003 0.000 0.194 149 E C 1.891 178.535 176.600 0.073 0.000 0.994 149 E CA 1.661 58.101 56.400 0.067 0.000 0.801 149 E CB -0.217 29.519 29.700 0.060 0.000 0.743 149 E HN 0.565 nan 8.360 nan 0.000 0.453 150 D N 0.251 120.708 120.400 0.095 0.000 2.149 150 D HA -0.111 4.527 4.640 -0.003 0.000 0.201 150 D C 1.687 178.051 176.300 0.108 0.000 0.972 150 D CA 0.660 54.720 54.000 0.100 0.000 0.835 150 D CB 0.042 40.909 40.800 0.111 0.000 0.966 150 D HN 0.144 nan 8.370 nan 0.000 0.476 151 E N 0.664 120.933 120.200 0.116 0.000 2.051 151 E HA -0.115 4.233 4.350 -0.003 0.000 0.192 151 E C 2.302 178.937 176.600 0.060 0.000 0.991 151 E CA 0.403 56.862 56.400 0.098 0.000 0.799 151 E CB -0.221 29.538 29.700 0.099 0.000 0.748 151 E HN 0.219 nan 8.360 nan 0.000 0.449 152 L N 1.269 122.519 121.223 0.045 0.000 2.201 152 L HA -0.063 4.275 4.340 -0.003 0.000 0.212 152 L C 1.602 178.492 176.870 0.033 0.000 1.105 152 L CA 1.026 55.880 54.840 0.024 0.000 0.775 152 L CB -0.617 41.449 42.059 0.011 0.000 0.913 152 L HN -0.005 nan 8.230 nan 0.000 0.440 156 R N 0.783 121.298 120.500 0.025 0.000 2.092 156 R HA -0.033 4.305 4.340 -0.003 0.000 0.231 156 R C 2.004 178.323 176.300 0.032 0.000 1.119 156 R CA 1.536 57.646 56.100 0.016 0.000 0.970 156 R CB -0.089 30.214 30.300 0.006 0.000 0.864 156 R HN 0.130 nan 8.270 nan 0.000 0.440 157 V N 1.090 121.042 119.914 0.063 0.000 2.407 157 V HA -0.244 3.874 4.120 -0.003 0.000 0.248 157 V C 2.461 178.640 176.094 0.141 0.000 1.055 157 V CA 1.923 64.298 62.300 0.125 0.000 1.049 157 V CB -0.654 31.255 31.823 0.145 0.000 0.662 157 V HN 0.387 nan 8.190 nan 0.000 0.455 158 A N -0.026 122.846 122.820 0.087 0.000 1.877 158 A HA -0.209 4.109 4.320 -0.003 0.000 0.216 158 A C 2.351 179.973 177.584 0.063 0.000 1.186 158 A CA 1.557 53.635 52.037 0.068 0.000 0.620 158 A CB -0.474 18.549 19.000 0.038 0.000 0.822 158 A HN 0.392 nan 8.150 nan 0.000 0.443 159 R N -0.416 120.110 120.500 0.043 0.000 2.091 159 R HA -0.076 4.262 4.340 -0.003 0.000 0.238 159 R C 2.240 178.565 176.300 0.042 0.000 1.136 159 R CA 1.529 57.647 56.100 0.029 0.000 0.959 159 R CB -0.701 29.604 30.300 0.009 0.000 0.856 159 R HN 0.584 nan 8.270 nan 0.000 0.437 160 R N 0.382 120.914 120.500 0.053 0.000 2.091 160 R HA -0.045 4.293 4.340 -0.003 0.000 0.238 160 R C 2.447 178.882 176.300 0.225 0.000 1.136 160 R CA 1.135 57.261 56.100 0.042 0.000 0.959 160 R CB -0.342 29.896 30.300 -0.102 0.000 0.856 160 R HN 0.158 nan 8.270 nan 0.000 0.437 161 L N -1.018 120.378 121.223 0.289 0.000 2.046 161 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 161 L C 2.493 179.436 176.870 0.121 0.000 1.077 161 L CA 1.403 56.386 54.840 0.238 0.000 0.747 161 L CB -0.643 41.478 42.059 0.104 0.000 0.896 161 L HN 0.367 nan 8.230 nan 0.000 0.432 162 G N -0.967 107.880 108.800 0.078 0.000 2.471 162 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.219 162 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.219 162 G C 1.522 176.444 174.900 0.036 0.000 1.125 162 G CA 0.304 45.427 45.100 0.039 0.000 0.775 162 G HN 0.246 nan 8.290 nan 0.000 0.548 163 E N 0.416 120.646 120.200 0.050 0.000 2.190 163 E HA 0.137 4.485 4.350 -0.003 0.000 0.191 163 E C 2.739 179.368 176.600 0.049 0.000 0.978 163 E CA 0.769 57.189 56.400 0.032 0.000 0.839 163 E CB -0.064 29.643 29.700 0.011 0.000 0.787 163 E HN 0.347 nan 8.360 nan 0.000 0.473 164 A N 0.559 123.441 122.820 0.103 0.000 2.072 164 A HA 0.143 4.461 4.320 -0.003 0.000 0.216 164 A C 1.197 178.833 177.584 0.086 0.000 1.156 164 A CA 0.392 52.508 52.037 0.132 0.000 0.701 164 A CB 0.116 19.304 19.000 0.314 0.000 0.816 164 A HN 0.060 nan 8.150 nan 0.000 0.458 165 L N -0.363 120.894 121.223 0.058 0.000 2.323 165 L HA 0.383 4.721 4.340 -0.003 0.000 0.265 165 L C -2.326 174.542 176.870 -0.003 0.000 1.012 165 L CA -2.324 52.525 54.840 0.015 0.000 0.820 165 L CB 2.045 44.100 42.059 -0.007 0.000 1.334 165 L HN -0.065 nan 8.230 nan 0.000 0.427 166 P HA 0.182 nan 4.420 nan 0.000 0.237 166 P C -0.919 176.350 177.300 -0.051 0.000 1.788 166 P CA 0.279 63.355 63.100 -0.040 0.000 1.061 166 P CB 0.384 32.052 31.700 -0.054 0.000 1.967 167 I N 1.669 122.217 120.570 -0.036 0.000 2.787 167 I HA 0.292 4.460 4.170 -0.003 0.000 0.294 167 I C -0.837 175.265 176.117 -0.025 0.000 1.365 167 I CA -1.156 60.122 61.300 -0.038 0.000 1.029 167 I CB 3.279 41.258 38.000 -0.034 0.000 1.313 167 I HN 0.071 nan 8.210 nan 0.000 0.431 168 R N 4.889 125.373 120.500 -0.027 0.000 2.308 168 R HA 0.628 4.966 4.340 -0.003 0.000 0.305 168 R C -0.947 175.346 176.300 -0.011 0.000 1.053 168 R CA -0.550 55.539 56.100 -0.019 0.000 0.957 168 R CB 1.481 31.768 30.300 -0.022 0.000 1.022 168 R HN 0.332 nan 8.270 nan 0.000 0.461 169 V N 4.103 124.013 119.914 -0.006 0.000 2.448 169 V HA 0.305 4.423 4.120 -0.003 0.000 0.295 169 V C -0.338 175.751 176.094 -0.008 0.000 1.025 169 V CA -0.948 61.350 62.300 -0.003 0.000 0.859 169 V CB 1.779 33.606 31.823 0.007 0.000 0.988 169 V HN 0.583 nan 8.190 nan 0.000 0.431 170 K N 2.956 123.349 120.400 -0.013 0.000 2.244 170 K HA 0.578 4.896 4.320 -0.003 0.000 0.260 170 K C 0.018 176.601 176.600 -0.028 0.000 0.951 170 K CA -0.387 55.888 56.287 -0.020 0.000 0.826 170 K CB 2.051 34.537 32.500 -0.023 0.000 1.108 170 K HN 0.884 nan 8.250 nan 0.000 0.433 171 T N -1.069 113.467 114.554 -0.029 0.000 2.902 171 T HA 0.587 4.935 4.350 -0.003 0.000 0.283 171 T C -0.084 174.584 174.700 -0.054 0.000 1.009 171 T CA -0.560 61.518 62.100 -0.036 0.000 1.051 171 T CB 1.205 70.059 68.868 -0.024 0.000 0.999 171 T HN 0.308 nan 8.240 nan 0.000 0.474 172 T N 3.010 117.519 114.554 -0.074 0.000 2.937 172 T HA 0.410 4.758 4.350 -0.003 0.000 0.297 172 T C -0.817 173.826 174.700 -0.094 0.000 0.991 172 T CA -0.681 61.364 62.100 -0.091 0.000 0.990 172 T CB 1.280 70.071 68.868 -0.128 0.000 0.991 172 T HN 0.710 nan 8.240 nan 0.000 0.440 173 L N 4.444 125.619 121.223 -0.079 0.000 2.325 173 L HA 0.503 4.841 4.340 -0.003 0.000 0.284 173 L C -0.295 176.520 176.870 -0.091 0.000 1.089 173 L CA -0.245 54.549 54.840 -0.078 0.000 0.836 173 L CB 0.275 42.286 42.059 -0.080 0.000 1.184 173 L HN 0.596 nan 8.230 nan 0.000 0.444 174 L N 5.393 126.557 121.223 -0.099 0.000 2.999 174 L HA 0.495 4.833 4.340 -0.003 0.000 0.263 174 L C 1.237 178.088 176.870 -0.032 0.000 1.320 174 L CA 0.434 55.205 54.840 -0.115 0.000 0.913 174 L CB 0.358 42.269 42.059 -0.246 0.000 1.296 174 L HN 0.737 nan 8.230 nan 0.000 0.546 175 A N 0.894 123.702 122.820 -0.020 0.000 2.015 175 A HA 0.167 4.485 4.320 -0.003 0.000 0.219 175 A C 1.690 179.379 177.584 0.175 0.000 1.163 175 A CA 1.064 53.163 52.037 0.103 0.000 0.646 175 A CB -0.276 18.696 19.000 -0.046 0.000 0.806 175 A HN 0.635 nan 8.150 nan 0.000 0.448 176 A N -1.227 121.537 122.820 -0.092 0.000 3.019 176 A HA 0.291 4.609 4.320 -0.003 0.000 0.262 176 A C 1.022 178.697 177.584 0.152 0.000 1.509 176 A CA 0.201 52.019 52.037 -0.364 0.000 1.159 176 A CB -1.155 17.347 19.000 -0.830 0.000 1.042 176 A HN 0.740 nan 8.150 nan 0.000 0.641 177 H N -0.393 118.835 119.070 0.263 0.000 2.497 177 H HA 0.457 5.011 4.556 -0.003 0.000 0.282 177 H C 0.669 176.263 175.328 0.442 0.000 1.003 177 H CA 0.727 56.916 56.048 0.234 0.000 1.307 177 H CB 0.263 30.028 29.762 0.005 0.000 1.437 177 H HN 0.648 nan 8.280 nan 0.000 0.544 178 A N -0.137 123.092 122.820 0.681 0.000 2.522 178 A HA 0.373 4.691 4.320 -0.003 0.000 0.291 178 A C -1.645 176.144 177.584 0.342 0.000 1.039 178 A CA -0.637 51.627 52.037 0.378 0.000 0.643 178 A CB 0.679 19.719 19.000 0.066 0.000 1.310 178 A HN 0.002 nan 8.150 nan 0.000 0.436 179 V N 3.224 123.141 119.914 0.005 0.000 2.406 179 V HA 0.438 4.556 4.120 -0.003 0.000 0.272 179 V C -1.756 174.186 176.094 -0.253 0.000 1.043 179 V CA -0.974 61.248 62.300 -0.129 0.000 0.915 179 V CB 0.959 32.721 31.823 -0.100 0.000 0.988 179 V HN 0.790 nan 8.190 nan 0.000 0.466 180 P HA 0.181 nan 4.420 nan 0.000 0.271 180 P C -2.333 174.889 177.300 -0.130 0.000 1.233 180 P CA -1.457 61.450 63.100 -0.321 0.000 0.789 180 P CB 0.364 31.768 31.700 -0.494 0.000 0.951 181 P HA -0.178 nan 4.420 nan 0.000 0.216 181 P C 1.148 178.412 177.300 -0.060 0.000 1.150 181 P CA 1.662 64.725 63.100 -0.060 0.000 0.843 181 P CB -0.087 31.580 31.700 -0.055 0.000 0.787 182 E N -2.234 117.918 120.200 -0.079 0.000 2.333 182 E HA -0.149 4.199 4.350 -0.003 0.000 0.198 182 E C 0.764 177.185 176.600 -0.300 0.000 1.007 182 E CA 1.060 57.349 56.400 -0.184 0.000 0.845 182 E CB -0.677 28.881 29.700 -0.235 0.000 0.766 182 E HN 0.508 nan 8.360 nan 0.000 0.507 183 Y N -1.113 119.137 120.300 -0.084 0.000 2.612 183 Y HA 0.294 4.842 4.550 -0.003 0.000 0.250 183 Y C 1.736 177.622 175.900 -0.023 0.000 1.175 183 Y CA -0.594 57.495 58.100 -0.019 0.000 1.205 183 Y CB 0.322 38.799 38.460 0.029 0.000 1.201 183 Y HN -0.127 nan 8.280 nan 0.000 0.532 184 R N 0.929 121.464 120.500 0.058 0.000 2.165 184 R HA -0.226 4.112 4.340 -0.003 0.000 0.254 184 R C 0.264 176.580 176.300 0.028 0.000 1.153 184 R CA 2.387 58.498 56.100 0.018 0.000 0.971 184 R CB -0.055 30.236 30.300 -0.016 0.000 0.878 184 R HN 0.277 nan 8.270 nan 0.000 0.449 185 D N -0.824 119.596 120.400 0.033 0.000 2.342 185 D HA 0.041 4.679 4.640 -0.003 0.000 0.221 185 D C -0.452 175.885 176.300 0.063 0.000 1.101 185 D CA 0.386 54.405 54.000 0.032 0.000 0.837 185 D CB 0.595 41.402 40.800 0.012 0.000 0.938 185 D HN 0.138 nan 8.370 nan 0.000 0.508 186 D N -0.382 120.088 120.400 0.117 0.000 2.978 186 D HA 0.125 4.763 4.640 -0.003 0.000 0.268 186 D C -2.033 174.416 176.300 0.249 0.000 1.252 186 D CA -1.530 52.567 54.000 0.161 0.000 0.771 186 D CB 1.194 42.092 40.800 0.165 0.000 1.361 186 D HN -0.192 nan 8.370 nan 0.000 0.558 187 P HA -0.110 nan 4.420 nan 0.000 0.216 187 P C 0.996 178.454 177.300 0.264 0.000 1.150 187 P CA 0.982 64.213 63.100 0.220 0.000 0.843 187 P CB 0.419 32.178 31.700 0.098 0.000 0.787 188 D N -1.439 119.072 120.400 0.184 0.000 2.219 188 D HA -0.091 4.547 4.640 -0.003 0.000 0.205 188 D C 2.032 178.414 176.300 0.138 0.000 0.970 188 D CA 1.022 55.106 54.000 0.140 0.000 0.851 188 D CB -0.422 40.437 40.800 0.098 0.000 0.943 188 D HN 0.120 nan 8.370 nan 0.000 0.488 189 S N -0.406 115.423 115.700 0.216 0.000 2.387 189 S HA -0.113 4.355 4.470 -0.003 0.000 0.226 189 S C 1.622 176.334 174.600 0.187 0.000 1.026 189 S CA 0.545 58.903 58.200 0.264 0.000 0.972 189 S CB -0.269 63.183 63.200 0.420 0.000 0.814 189 S HN 0.500 nan 8.310 nan 0.000 0.477 190 W N 1.580 122.771 121.300 -0.182 0.000 2.381 190 W HA -0.110 4.548 4.660 -0.004 0.000 0.301 190 W C 1.564 177.927 176.519 -0.260 0.000 1.205 190 W CA 0.982 57.951 57.345 -0.626 0.000 1.285 190 W CB -0.212 28.927 29.460 -0.536 0.000 1.133 190 W HN 0.107 nan 8.180 nan 0.000 0.521 191 V N 1.352 121.149 119.914 -0.195 0.000 2.343 191 V HA -0.304 3.814 4.120 -0.003 0.000 0.247 191 V C 2.172 178.087 176.094 -0.299 0.000 1.051 191 V CA 2.262 64.372 62.300 -0.316 0.000 1.036 191 V CB -0.965 30.798 31.823 -0.099 0.000 0.654 191 V HN 0.168 nan 8.190 nan 0.000 0.451 192 E N -0.177 119.930 120.200 -0.156 0.000 2.077 192 E HA -0.198 4.150 4.350 -0.003 0.000 0.193 192 E C 2.325 178.828 176.600 -0.162 0.000 0.989 192 E CA 1.801 58.136 56.400 -0.109 0.000 0.800 192 E CB -0.215 29.477 29.700 -0.014 0.000 0.746 192 E HN 0.599 nan 8.360 nan 0.000 0.452 193 T N 1.301 115.724 114.554 -0.217 0.000 2.708 193 T HA -0.147 4.201 4.350 -0.003 0.000 0.266 193 T C 1.945 176.418 174.700 -0.377 0.000 1.037 193 T CA 0.980 62.941 62.100 -0.232 0.000 1.146 193 T CB -0.174 68.575 68.868 -0.199 0.000 0.865 193 T HN 0.131 nan 8.240 nan 0.000 0.435 194 I N 0.705 120.892 120.570 -0.638 0.000 2.179 194 I HA -0.204 3.964 4.170 -0.003 0.000 0.242 194 I C 2.655 178.561 176.117 -0.351 0.000 1.088 194 I CA 1.006 61.950 61.300 -0.594 0.000 1.357 194 I CB -0.493 37.055 38.000 -0.753 0.000 1.051 194 I HN 0.341 nan 8.210 nan 0.000 0.409 195 C N -0.015 119.112 119.300 -0.287 0.000 2.446 195 C HA -0.125 4.333 4.460 -0.003 0.000 0.277 195 C C 2.682 177.609 174.990 -0.105 0.000 1.275 195 C CA 0.690 59.607 59.018 -0.167 0.000 1.727 195 C CB -1.052 26.612 27.740 -0.127 0.000 2.010 195 C HN 0.527 nan 8.230 nan 0.000 0.486 196 Q N -0.338 119.400 119.800 -0.103 0.000 2.408 196 Q HA 0.033 4.371 4.340 -0.003 0.000 0.205 196 Q C 1.524 177.485 176.000 -0.066 0.000 0.919 196 Q CA 0.731 56.504 55.803 -0.049 0.000 0.932 196 Q CB 0.295 29.019 28.738 -0.023 0.000 1.058 196 Q HN 0.720 nan 8.270 nan 0.000 0.517 197 E N -0.411 119.721 120.200 -0.112 0.000 2.905 197 E HA 0.104 4.452 4.350 -0.003 0.000 0.197 197 E C 1.704 178.221 176.600 -0.138 0.000 1.016 197 E CA -0.074 56.267 56.400 -0.098 0.000 1.307 197 E CB 0.333 30.002 29.700 -0.052 0.000 1.255 197 E HN 0.062 nan 8.360 nan 0.000 0.527 198 I N 1.781 122.248 120.570 -0.171 0.000 2.142 198 I HA -0.239 3.929 4.170 -0.003 0.000 0.240 198 I C 2.492 178.485 176.117 -0.206 0.000 1.078 198 I CA 1.284 62.483 61.300 -0.168 0.000 1.343 198 I CB -0.316 37.566 38.000 -0.197 0.000 1.046 198 I HN 0.106 nan 8.210 nan 0.000 0.405 199 I N 0.866 121.283 120.570 -0.256 0.000 2.163 199 I HA -0.206 3.962 4.170 -0.003 0.000 0.243 199 I C -0.307 175.511 176.117 -0.499 0.000 1.085 199 I CA 1.833 62.950 61.300 -0.305 0.000 1.347 199 I CB -1.580 36.263 38.000 -0.261 0.000 1.044 199 I HN 0.144 nan 8.210 nan 0.000 0.408 200 P HA -0.165 nan 4.420 nan 0.000 0.215 200 P C 1.470 178.541 177.300 -0.382 0.000 1.153 200 P CA 1.828 64.450 63.100 -0.797 0.000 0.853 200 P CB -0.005 31.437 31.700 -0.429 0.000 0.788 201 A N -0.207 122.477 122.820 -0.228 0.000 1.930 201 A HA -0.075 4.243 4.320 -0.003 0.000 0.217 201 A C 2.288 179.803 177.584 -0.115 0.000 1.175 201 A CA 1.951 53.913 52.037 -0.126 0.000 0.627 201 A CB -1.573 17.378 19.000 -0.081 0.000 0.815 201 A HN 0.179 nan 8.150 nan 0.000 0.443 202 A N -0.093 122.642 122.820 -0.141 0.000 1.902 202 A HA 0.182 4.500 4.320 -0.003 0.000 0.217 202 A C 2.499 180.025 177.584 -0.097 0.000 1.181 202 A CA 2.035 54.010 52.037 -0.104 0.000 0.623 202 A CB -0.979 17.956 19.000 -0.108 0.000 0.818 202 A HN 0.998 nan 8.150 nan 0.000 0.443 203 A N -0.305 122.426 122.820 -0.150 0.000 1.898 203 A HA -0.122 4.196 4.320 -0.003 0.000 0.216 203 A C 1.960 179.529 177.584 -0.025 0.000 1.181 203 A CA 2.079 54.068 52.037 -0.081 0.000 0.620 203 A CB -0.507 18.430 19.000 -0.105 0.000 0.819 203 A HN 0.523 nan 8.150 nan 0.000 0.442 204 E N 0.479 120.652 120.200 -0.045 0.000 2.118 204 E HA -0.100 4.248 4.350 -0.003 0.000 0.195 204 E C 1.695 178.292 176.600 -0.005 0.000 0.992 204 E CA 1.614 58.014 56.400 -0.001 0.000 0.804 204 E CB -0.396 29.299 29.700 -0.010 0.000 0.741 204 E HN 0.480 nan 8.360 nan 0.000 0.458 205 A N -0.649 122.158 122.820 -0.021 0.000 2.251 205 A HA 0.366 4.684 4.320 -0.003 0.000 0.209 205 A C 1.637 179.214 177.584 -0.012 0.000 1.187 205 A CA 0.736 52.764 52.037 -0.015 0.000 0.823 205 A CB -0.674 18.314 19.000 -0.020 0.000 0.846 205 A HN 0.475 nan 8.150 nan 0.000 0.486 206 G N -0.623 108.171 108.800 -0.011 0.000 2.249 206 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.273 206 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.273 206 G C 0.567 175.460 174.900 -0.012 0.000 1.036 206 G CA 0.604 45.700 45.100 -0.007 0.000 0.824 206 G HN 0.485 nan 8.290 nan 0.000 0.504 207 L N -0.924 120.287 121.223 -0.020 0.000 2.529 207 L HA 0.465 4.803 4.340 -0.003 0.000 0.223 207 L C 1.593 178.448 176.870 -0.024 0.000 1.113 207 L CA 0.879 55.707 54.840 -0.020 0.000 0.861 207 L CB 0.166 42.212 42.059 -0.021 0.000 1.012 207 L HN 0.526 nan 8.230 nan 0.000 0.461 208 A N -0.679 122.123 122.820 -0.030 0.000 2.330 208 A HA 0.368 4.686 4.320 -0.003 0.000 0.313 208 A C -0.198 177.370 177.584 -0.026 0.000 1.124 208 A CA -0.572 51.444 52.037 -0.034 0.000 0.774 208 A CB 0.769 19.740 19.000 -0.049 0.000 1.198 208 A HN 0.006 nan 8.150 nan 0.000 0.465 209 D N 1.016 121.400 120.400 -0.028 0.000 2.346 209 D HA 0.353 4.991 4.640 -0.003 0.000 0.206 209 D C 0.708 176.991 176.300 -0.028 0.000 1.001 209 D CA 1.622 55.608 54.000 -0.023 0.000 0.871 209 D CB 0.715 41.501 40.800 -0.023 0.000 0.943 209 D HN 0.762 nan 8.370 nan 0.000 0.518 210 A N -0.304 122.493 122.820 -0.039 0.000 2.586 210 A HA 0.568 4.886 4.320 -0.003 0.000 0.290 210 A C -1.551 176.003 177.584 -0.050 0.000 1.086 210 A CA -0.564 51.446 52.037 -0.045 0.000 0.665 210 A CB 1.407 20.376 19.000 -0.052 0.000 1.279 210 A HN -0.122 nan 8.150 nan 0.000 0.423 211 V N 1.479 121.365 119.914 -0.045 0.000 2.540 211 V HA 0.578 4.696 4.120 -0.003 0.000 0.302 211 V C -0.931 175.168 176.094 0.009 0.000 1.035 211 V CA -0.448 61.833 62.300 -0.031 0.000 0.873 211 V CB 1.749 33.562 31.823 -0.017 0.000 0.992 211 V HN 0.941 nan 8.190 nan 0.000 0.428 212 D N 2.332 122.738 120.400 0.010 0.000 2.374 212 D HA 0.796 5.434 4.640 -0.003 0.000 0.239 212 D C -1.343 175.006 176.300 0.081 0.000 0.991 212 D CA -0.265 53.779 54.000 0.074 0.000 0.960 212 D CB 2.499 43.311 40.800 0.021 0.000 1.284 212 D HN 0.285 nan 8.370 nan 0.000 0.512 213 V N 1.833 121.850 119.914 0.172 0.000 2.969 213 V HA 0.275 4.393 4.120 -0.003 0.000 0.304 213 V C -1.053 175.215 176.094 0.289 0.000 1.192 213 V CA -0.944 61.416 62.300 0.100 0.000 0.962 213 V CB 2.083 33.864 31.823 -0.070 0.000 1.045 213 V HN 0.489 nan 8.190 nan 0.000 0.428 214 F N 4.990 125.022 119.950 0.137 0.000 2.351 214 F HA 0.506 5.031 4.527 -0.003 0.000 0.362 214 F C 0.161 176.129 175.800 0.280 0.000 1.131 214 F CA -1.144 56.994 58.000 0.229 0.000 1.187 214 F CB 0.406 39.560 39.000 0.257 0.000 1.434 214 F HN 0.584 nan 8.300 nan 0.000 0.553 215 C N 6.596 125.902 119.300 0.010 0.000 2.256 215 C HA 0.721 5.179 4.460 -0.003 0.000 0.333 215 C C -0.293 174.518 174.990 -0.299 0.000 1.183 215 C CA 0.172 59.130 59.018 -0.100 0.000 1.692 215 C CB -1.442 26.308 27.740 0.016 0.000 2.274 215 C HN 0.946 nan 8.230 nan 0.000 0.509 216 E N 2.054 121.991 120.200 -0.438 0.000 2.422 216 E HA 0.254 4.602 4.350 -0.003 0.000 0.280 216 E C 0.711 177.152 176.600 -0.265 0.000 1.091 216 E CA -0.466 55.702 56.400 -0.386 0.000 0.849 216 E CB 0.626 29.854 29.700 -0.787 0.000 1.353 216 E HN 0.710 nan 8.360 nan 0.000 0.449 217 H N 1.592 120.541 119.070 -0.202 0.000 2.387 217 H HA -0.070 4.484 4.556 -0.003 0.000 0.299 217 H C 1.565 176.810 175.328 -0.139 0.000 1.090 217 H CA 2.009 57.972 56.048 -0.142 0.000 1.332 217 H CB -0.459 29.240 29.762 -0.105 0.000 1.386 217 H HN 0.525 nan 8.280 nan 0.000 0.516 218 I N -1.576 118.603 120.570 -0.651 0.000 3.861 218 I HA 0.488 4.656 4.170 -0.003 0.000 0.329 218 I C 0.947 176.913 176.117 -0.253 0.000 1.321 218 I CA -0.022 61.058 61.300 -0.367 0.000 1.126 218 I CB 0.326 38.130 38.000 -0.326 0.000 1.018 218 I HN 0.188 nan 8.210 nan 0.000 0.407 219 G N 1.082 109.625 108.800 -0.429 0.000 3.414 219 G HA2 0.482 4.440 3.960 -0.003 0.000 0.189 219 G HA3 0.482 4.440 3.960 -0.003 0.000 0.189 219 G C -0.889 173.709 174.900 -0.504 0.000 1.329 219 G CA -0.471 44.356 45.100 -0.454 0.000 0.851 219 G HN 0.133 nan 8.290 nan 0.000 0.671 220 F N 1.186 121.021 119.950 -0.192 0.000 2.480 220 F HA 0.508 5.033 4.527 -0.003 0.000 0.329 220 F C 1.099 176.826 175.800 -0.121 0.000 1.091 220 F CA -0.644 57.300 58.000 -0.094 0.000 0.972 220 F CB 2.188 41.157 39.000 -0.051 0.000 1.150 220 F HN 0.439 nan 8.300 nan 0.000 0.467 221 S N 2.437 118.175 115.700 0.062 0.000 2.606 221 S HA 0.086 4.554 4.470 -0.003 0.000 0.257 221 S C 0.993 175.604 174.600 0.017 0.000 1.327 221 S CA -0.620 57.592 58.200 0.019 0.000 0.984 221 S CB 0.653 63.862 63.200 0.017 0.000 0.941 221 S HN 0.715 nan 8.310 nan 0.000 0.576 222 L N 1.331 122.557 121.223 0.005 0.000 2.083 222 L HA 0.084 4.422 4.340 -0.003 0.000 0.209 222 L C 2.652 179.515 176.870 -0.011 0.000 1.083 222 L CA 2.300 57.140 54.840 -0.000 0.000 0.752 222 L CB -1.525 40.547 42.059 0.023 0.000 0.899 222 L HN 0.939 nan 8.230 nan 0.000 0.433 223 A N -1.179 121.645 122.820 0.006 0.000 1.873 223 A HA -0.245 4.073 4.320 -0.003 0.000 0.215 223 A C 2.169 179.742 177.584 -0.018 0.000 1.186 223 A CA 1.758 53.799 52.037 0.007 0.000 0.616 223 A CB -0.553 18.458 19.000 0.019 0.000 0.823 223 A HN 0.630 nan 8.150 nan 0.000 0.442 224 Q N -0.932 118.868 119.800 0.000 0.000 2.167 224 Q HA -0.100 4.238 4.340 -0.003 0.000 0.202 224 Q C 2.054 177.974 176.000 -0.133 0.000 0.970 224 Q CA 1.698 57.498 55.803 -0.004 0.000 0.855 224 Q CB -0.348 28.481 28.738 0.151 0.000 0.911 224 Q HN 0.651 nan 8.270 nan 0.000 0.438 225 T N 0.938 115.389 114.554 -0.172 0.000 2.821 225 T HA -0.180 4.168 4.350 -0.003 0.000 0.267 225 T C 1.651 175.987 174.700 -0.606 0.000 1.046 225 T CA 1.365 63.215 62.100 -0.417 0.000 1.139 225 T CB -0.109 68.544 68.868 -0.359 0.000 0.871 225 T HN 0.401 nan 8.240 nan 0.000 0.454 226 E N 0.550 120.556 120.200 -0.324 0.000 2.110 226 E HA -0.196 4.152 4.350 -0.003 0.000 0.193 226 E C 2.240 178.720 176.600 -0.199 0.000 0.988 226 E CA 0.835 57.102 56.400 -0.221 0.000 0.804 226 E CB 0.030 29.755 29.700 0.042 0.000 0.745 226 E HN 0.294 nan 8.360 nan 0.000 0.458 227 Q N 0.253 119.959 119.800 -0.156 0.000 2.096 227 Q HA -0.132 4.206 4.340 -0.003 0.000 0.204 227 Q C 2.390 178.290 176.000 -0.166 0.000 0.982 227 Q CA 1.202 56.938 55.803 -0.113 0.000 0.850 227 Q CB -0.361 28.319 28.738 -0.097 0.000 0.901 227 Q HN 0.277 nan 8.270 nan 0.000 0.422 228 V N 0.367 120.114 119.914 -0.278 0.000 2.261 228 V HA -0.257 3.861 4.120 -0.003 0.000 0.246 228 V C 2.112 178.113 176.094 -0.155 0.000 1.047 228 V CA 1.666 63.807 62.300 -0.266 0.000 1.015 228 V CB -0.815 30.786 31.823 -0.370 0.000 0.642 228 V HN 0.247 nan 8.190 nan 0.000 0.446 229 Y N -0.046 120.013 120.300 -0.402 0.000 2.256 229 Y HA -0.180 4.368 4.550 -0.003 0.000 0.288 229 Y C 2.316 177.986 175.900 -0.382 0.000 1.155 229 Y CA 0.709 58.455 58.100 -0.590 0.000 1.203 229 Y CB -1.067 36.560 38.460 -1.387 0.000 0.980 229 Y HN 0.191 nan 8.280 nan 0.000 0.530 230 L N -0.996 120.181 121.223 -0.076 0.000 2.046 230 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 230 L C 2.652 179.579 176.870 0.096 0.000 1.077 230 L CA 1.187 56.104 54.840 0.129 0.000 0.747 230 L CB -0.775 41.361 42.059 0.129 0.000 0.896 230 L HN 0.178 nan 8.230 nan 0.000 0.432 231 A N -0.099 122.750 122.820 0.049 0.000 1.873 231 A HA -0.157 4.161 4.320 -0.003 0.000 0.215 231 A C 2.536 180.212 177.584 0.154 0.000 1.186 231 A CA 1.635 53.729 52.037 0.094 0.000 0.616 231 A CB -0.760 18.254 19.000 0.023 0.000 0.823 231 A HN 0.396 nan 8.150 nan 0.000 0.442 232 A N 0.164 123.033 122.820 0.081 0.000 1.892 232 A HA -0.278 4.040 4.320 -0.003 0.000 0.218 232 A C 1.899 179.550 177.584 0.112 0.000 1.188 232 A CA 2.363 54.450 52.037 0.083 0.000 0.631 232 A CB -0.837 18.181 19.000 0.030 0.000 0.822 232 A HN 0.529 nan 8.150 nan 0.000 0.447 233 D N -0.686 119.776 120.400 0.103 0.000 2.116 233 D HA -0.197 4.441 4.640 -0.003 0.000 0.193 233 D C 2.010 178.347 176.300 0.062 0.000 0.998 233 D CA 1.737 55.803 54.000 0.109 0.000 0.836 233 D CB -0.230 40.684 40.800 0.189 0.000 0.951 233 D HN 0.424 nan 8.370 nan 0.000 0.449 234 Q N -1.033 118.795 119.800 0.047 0.000 2.234 234 Q HA -0.166 4.172 4.340 -0.003 0.000 0.206 234 Q C 1.376 177.210 176.000 -0.275 0.000 0.980 234 Q CA 0.937 56.681 55.803 -0.098 0.000 0.869 234 Q CB -0.295 28.376 28.738 -0.113 0.000 0.912 234 Q HN 0.584 nan 8.270 nan 0.000 0.436 235 Y N -0.631 119.669 120.300 -0.001 0.000 2.524 235 Y HA 0.281 4.829 4.550 -0.003 0.000 0.266 235 Y C 1.214 177.109 175.900 -0.008 0.000 1.180 235 Y CA 0.167 58.263 58.100 -0.008 0.000 1.244 235 Y CB 0.604 39.054 38.460 -0.017 0.000 1.125 235 Y HN 0.191 nan 8.280 nan 0.000 0.524 236 G N 1.312 110.152 108.800 0.066 0.000 2.273 236 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.280 236 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.280 236 G C -0.320 174.609 174.900 0.048 0.000 1.047 236 G CA 0.058 45.184 45.100 0.043 0.000 0.869 236 G HN 0.303 nan 8.290 nan 0.000 0.502 237 L N -0.108 121.149 121.223 0.057 0.000 2.317 237 L HA 0.752 5.090 4.340 -0.003 0.000 0.281 237 L C 1.000 177.868 176.870 -0.002 0.000 1.024 237 L CA -0.706 54.150 54.840 0.027 0.000 0.810 237 L CB 1.712 43.787 42.059 0.027 0.000 1.240 237 L HN 0.311 nan 8.230 nan 0.000 0.427 238 A N 2.802 125.609 122.820 -0.021 0.000 2.425 238 A HA 0.540 4.858 4.320 -0.003 0.000 0.242 238 A C -0.085 177.448 177.584 -0.085 0.000 1.077 238 A CA -0.282 51.727 52.037 -0.047 0.000 0.781 238 A CB 0.578 19.553 19.000 -0.041 0.000 1.020 238 A HN 0.594 nan 8.150 nan 0.000 0.494 239 V N -0.744 119.079 119.914 -0.152 0.000 3.046 239 V HA 0.974 5.092 4.120 -0.003 0.000 0.316 239 V C -0.531 175.428 176.094 -0.226 0.000 1.104 239 V CA -0.535 61.609 62.300 -0.259 0.000 1.006 239 V CB 1.537 32.967 31.823 -0.656 0.000 1.058 239 V HN 1.330 nan 8.190 nan 0.000 0.440 240 K N 0.761 121.064 120.400 -0.161 0.000 2.580 240 K HA 0.897 5.215 4.320 -0.003 0.000 0.288 240 K C -0.598 176.077 176.600 0.125 0.000 1.041 240 K CA -0.446 55.817 56.287 -0.040 0.000 0.855 240 K CB 1.535 34.022 32.500 -0.021 0.000 1.543 240 K HN 1.786 nan 8.250 nan 0.000 0.388 241 G N 0.230 109.136 108.800 0.177 0.000 2.667 241 G HA2 0.451 4.409 3.960 -0.003 0.000 0.294 241 G HA3 0.451 4.409 3.960 -0.003 0.000 0.294 241 G C -1.871 173.228 174.900 0.331 0.000 1.467 241 G CA -0.700 44.585 45.100 0.308 0.000 0.852 241 G HN 0.549 nan 8.290 nan 0.000 0.521 245 Q N 0.269 120.261 119.800 0.321 0.000 2.123 245 Q HA 0.105 4.443 4.340 -0.003 0.000 0.196 245 Q C 1.369 177.598 176.000 0.381 0.000 0.958 245 Q CA 0.881 56.852 55.803 0.281 0.000 0.841 245 Q CB 0.518 29.276 28.738 0.033 0.000 0.915 245 Q HN 0.297 nan 8.270 nan 0.000 0.455 246 L N -0.556 120.842 121.223 0.292 0.000 2.609 246 L HA 0.284 4.622 4.340 -0.003 0.000 0.230 246 L C 0.598 177.274 176.870 -0.323 0.000 1.064 246 L CA 0.104 55.064 54.840 0.200 0.000 0.873 246 L CB 1.053 43.297 42.059 0.308 0.000 1.139 246 L HN 0.092 nan 8.230 nan 0.000 0.490 247 S N -1.626 113.911 115.700 -0.272 0.000 2.615 247 S HA 0.302 4.770 4.470 -0.003 0.000 0.268 247 S C -1.457 173.060 174.600 -0.138 0.000 1.146 247 S CA -0.889 56.998 58.200 -0.522 0.000 0.818 247 S CB 1.928 64.863 63.200 -0.441 0.000 1.111 247 S HN 0.017 nan 8.310 nan 0.000 0.465 248 N N 0.909 119.551 118.700 -0.096 0.000 2.437 248 N HA 0.440 5.178 4.740 -0.003 0.000 0.259 248 N C -0.133 175.378 175.510 0.001 0.000 0.983 248 N CA -0.545 52.520 53.050 0.027 0.000 0.937 248 N CB 0.843 39.377 38.487 0.078 0.000 1.122 248 N HN 0.723 nan 8.380 nan 0.000 0.499 249 L N 2.057 123.293 121.223 0.022 0.000 2.766 249 L HA 0.313 4.651 4.340 -0.003 0.000 0.242 249 L C 1.259 178.149 176.870 0.034 0.000 1.136 249 L CA 0.131 54.980 54.840 0.015 0.000 0.933 249 L CB 0.284 42.349 42.059 0.009 0.000 1.241 249 L HN 0.786 nan 8.230 nan 0.000 0.522 250 G N -0.070 108.761 108.800 0.052 0.000 2.144 250 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.218 250 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.218 250 G C 0.926 175.878 174.900 0.086 0.000 0.988 250 G CA 0.128 45.266 45.100 0.064 0.000 0.659 250 G HN 0.405 nan 8.290 nan 0.000 0.522 251 G N 0.586 109.441 108.800 0.092 0.000 2.442 251 G HA2 -0.022 3.936 3.960 -0.003 0.000 0.219 251 G HA3 -0.022 3.936 3.960 -0.003 0.000 0.219 251 G C 1.903 176.897 174.900 0.157 0.000 1.141 251 G CA 2.094 47.266 45.100 0.120 0.000 0.763 251 G HN 0.805 nan 8.290 nan 0.000 0.554 252 S N 0.202 115.985 115.700 0.137 0.000 2.382 252 S HA -0.112 4.356 4.470 -0.003 0.000 0.228 252 S C 2.512 177.188 174.600 0.126 0.000 1.027 252 S CA 1.682 59.960 58.200 0.131 0.000 0.991 252 S CB -0.375 62.888 63.200 0.105 0.000 0.823 252 S HN 0.449 nan 8.310 nan 0.000 0.469 253 T N 2.331 116.953 114.554 0.114 0.000 2.867 253 T HA 0.026 4.374 4.350 -0.003 0.000 0.268 253 T C 1.735 176.522 174.700 0.144 0.000 1.057 253 T CA 0.804 62.968 62.100 0.107 0.000 1.136 253 T CB -0.303 68.614 68.868 0.082 0.000 0.874 253 T HN 0.208 nan 8.240 nan 0.000 0.466 254 L N 1.632 122.968 121.223 0.188 0.000 2.027 254 L HA 0.153 4.491 4.340 -0.003 0.000 0.206 254 L C 2.609 179.725 176.870 0.410 0.000 1.074 254 L CA 1.903 56.917 54.840 0.289 0.000 0.745 254 L CB -1.083 41.145 42.059 0.280 0.000 0.898 254 L HN 0.191 nan 8.230 nan 0.000 0.433 255 A N -0.257 122.776 122.820 0.355 0.000 1.908 255 A HA -0.144 4.174 4.320 -0.003 0.000 0.218 255 A C 2.457 180.137 177.584 0.160 0.000 1.181 255 A CA 1.981 54.178 52.037 0.266 0.000 0.627 255 A CB -1.276 17.843 19.000 0.199 0.000 0.818 255 A HN 0.610 nan 8.150 nan 0.000 0.445 256 A N 0.127 123.029 122.820 0.137 0.000 1.933 256 A HA -0.183 4.135 4.320 -0.003 0.000 0.218 256 A C 1.816 179.448 177.584 0.079 0.000 1.175 256 A CA 1.694 53.783 52.037 0.087 0.000 0.628 256 A CB -0.578 18.470 19.000 0.081 0.000 0.814 256 A HN 0.551 nan 8.150 nan 0.000 0.444 257 N N -1.318 117.442 118.700 0.101 0.000 2.459 257 N HA -0.019 4.719 4.740 -0.003 0.000 0.181 257 N C 0.517 175.969 175.510 -0.097 0.000 1.046 257 N CA 0.824 53.878 53.050 0.007 0.000 0.904 257 N CB -0.303 38.176 38.487 -0.013 0.000 0.964 257 N HN 0.515 nan 8.380 nan 0.000 0.444 258 F N -0.008 119.942 119.950 0.000 0.000 2.693 258 F HA 0.286 4.811 4.527 -0.003 0.000 0.303 258 F C 1.421 177.163 175.800 -0.096 0.000 1.097 258 F CA -0.150 57.822 58.000 -0.046 0.000 1.330 258 F CB 0.152 39.096 39.000 -0.093 0.000 1.067 258 F HN -0.010 nan 8.300 nan 0.000 0.565 259 G N 1.243 110.074 108.800 0.051 0.000 2.246 259 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.273 259 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.273 259 G C 0.404 175.288 174.900 -0.026 0.000 1.055 259 G CA -0.086 45.014 45.100 0.001 0.000 0.851 259 G HN 0.642 nan 8.290 nan 0.000 0.500 260 A N -0.811 121.984 122.820 -0.042 0.000 2.520 260 A HA 0.581 4.899 4.320 -0.003 0.000 0.235 260 A C 1.629 179.180 177.584 -0.055 0.000 1.065 260 A CA 0.644 52.623 52.037 -0.096 0.000 0.764 260 A CB 0.266 19.209 19.000 -0.095 0.000 1.002 260 A HN 0.875 nan 8.150 nan 0.000 0.502 261 L N 1.281 122.469 121.223 -0.059 0.000 2.156 261 L HA 0.002 4.340 4.340 -0.003 0.000 0.208 261 L C 1.146 178.003 176.870 -0.021 0.000 1.095 261 L CA 1.520 56.339 54.840 -0.036 0.000 0.770 261 L CB -0.400 41.638 42.059 -0.035 0.000 0.914 261 L HN 0.955 nan 8.230 nan 0.000 0.439 262 S N -1.610 114.080 115.700 -0.018 0.000 2.595 262 S HA 0.545 5.013 4.470 -0.003 0.000 0.270 262 S C -0.918 173.695 174.600 0.023 0.000 1.145 262 S CA -0.897 57.304 58.200 0.001 0.000 0.825 262 S CB 1.675 64.879 63.200 0.006 0.000 1.107 262 S HN -0.087 nan 8.310 nan 0.000 0.461 263 V N -0.573 119.363 119.914 0.037 0.000 2.656 263 V HA 0.882 5.000 4.120 -0.003 0.000 0.307 263 V C -1.689 174.438 176.094 0.055 0.000 1.051 263 V CA -0.683 61.662 62.300 0.074 0.000 0.893 263 V CB 1.345 33.221 31.823 0.089 0.000 0.999 263 V HN 0.885 nan 8.190 nan 0.000 0.426 264 D N 2.575 123.015 120.400 0.067 0.000 2.350 264 D HA 0.720 5.358 4.640 -0.003 0.000 0.245 264 D C 0.403 176.732 176.300 0.048 0.000 1.036 264 D CA 0.058 54.038 54.000 -0.033 0.000 0.848 264 D CB 1.233 41.958 40.800 -0.126 0.000 1.307 264 D HN 0.841 nan 8.370 nan 0.000 0.469 265 H N 0.440 119.522 119.070 0.020 0.000 4.674 265 H HA -0.195 4.360 4.556 -0.003 0.000 0.063 265 H C 0.511 175.872 175.328 0.055 0.000 0.626 265 H CA 0.819 56.915 56.048 0.081 0.000 0.897 265 H CB -0.825 29.045 29.762 0.181 0.000 0.409 265 H HN 0.382 nan 8.280 nan 0.000 0.815 266 L N 1.049 122.417 121.223 0.242 0.000 4.429 266 L HA -0.208 4.130 4.340 -0.003 0.000 0.422 266 L C 1.505 178.408 176.870 0.056 0.000 1.149 266 L CA 1.799 56.713 54.840 0.124 0.000 0.972 266 L CB -2.037 40.043 42.059 0.035 0.000 2.059 266 L HN 0.483 nan 8.230 nan 0.000 0.870 267 E N -0.918 119.337 120.200 0.091 0.000 2.114 267 E HA -0.168 4.180 4.350 -0.003 0.000 0.199 267 E C 1.338 177.800 176.600 -0.230 0.000 1.008 267 E CA 2.053 58.408 56.400 -0.076 0.000 0.810 267 E CB -0.208 29.491 29.700 -0.001 0.000 0.739 267 E HN 0.709 nan 8.360 nan 0.000 0.456 268 Y N -0.599 119.738 120.300 0.061 0.000 2.683 268 Y HA 0.230 4.778 4.550 -0.003 0.000 0.297 268 Y C 0.081 176.001 175.900 0.033 0.000 1.147 268 Y CA -0.859 57.268 58.100 0.044 0.000 1.274 268 Y CB 0.214 38.705 38.460 0.052 0.000 1.143 268 Y HN -0.020 nan 8.280 nan 0.000 0.527 269 L N 2.650 123.936 121.223 0.106 0.000 2.453 269 L HA 0.135 4.473 4.340 -0.003 0.000 0.272 269 L C 0.104 177.004 176.870 0.051 0.000 1.182 269 L CA -0.083 54.803 54.840 0.076 0.000 0.858 269 L CB 0.218 42.300 42.059 0.038 0.000 1.120 269 L HN 0.247 nan 8.230 nan 0.000 0.474 270 D N 3.913 124.346 120.400 0.054 0.000 2.442 270 D HA 0.410 5.048 4.640 -0.003 0.000 0.254 270 D C -2.343 173.970 176.300 0.023 0.000 1.069 270 D CA -1.992 52.031 54.000 0.038 0.000 1.017 270 D CB 0.442 41.270 40.800 0.046 0.000 1.172 270 D HN 0.252 nan 8.370 nan 0.000 0.561 271 P HA -0.153 nan 4.420 nan 0.000 0.215 271 P C 0.904 178.211 177.300 0.011 0.000 1.157 271 P CA 1.636 64.740 63.100 0.008 0.000 0.874 271 P CB 0.225 31.928 31.700 0.004 0.000 0.790 272 E N -0.635 119.574 120.200 0.015 0.000 2.097 272 E HA -0.141 4.207 4.350 -0.003 0.000 0.196 272 E C 2.276 178.890 176.600 0.024 0.000 1.000 272 E CA 1.758 58.167 56.400 0.016 0.000 0.804 272 E CB -1.562 28.149 29.700 0.018 0.000 0.740 272 E HN 0.253 nan 8.360 nan 0.000 0.454 273 G N 0.567 109.386 108.800 0.033 0.000 2.402 273 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.216 273 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.216 273 G C 1.649 176.570 174.900 0.035 0.000 1.162 273 G CA 0.732 45.858 45.100 0.043 0.000 0.777 273 G HN 0.200 nan 8.290 nan 0.000 0.539 274 I N 0.542 121.126 120.570 0.023 0.000 2.208 274 I HA -0.201 3.967 4.170 -0.003 0.000 0.245 274 I C 2.929 179.057 176.117 0.017 0.000 1.097 274 I CA 0.957 62.264 61.300 0.012 0.000 1.363 274 I CB -0.153 37.846 38.000 -0.001 0.000 1.051 274 I HN 0.147 nan 8.210 nan 0.000 0.413 275 Q N 0.638 120.449 119.800 0.018 0.000 2.124 275 Q HA -0.134 4.204 4.340 -0.003 0.000 0.202 275 Q C 2.417 178.446 176.000 0.048 0.000 0.977 275 Q CA 1.809 57.625 55.803 0.021 0.000 0.850 275 Q CB -0.639 28.102 28.738 0.004 0.000 0.901 275 Q HN 0.573 nan 8.270 nan 0.000 0.429 276 A N 0.906 123.756 122.820 0.050 0.000 1.898 276 A HA -0.095 4.223 4.320 -0.003 0.000 0.216 276 A C 2.263 179.899 177.584 0.086 0.000 1.181 276 A CA 0.967 53.051 52.037 0.079 0.000 0.620 276 A CB -0.657 18.383 19.000 0.067 0.000 0.819 276 A HN 0.307 nan 8.150 nan 0.000 0.442 277 L N -0.731 120.525 121.223 0.054 0.000 2.017 277 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 277 L C 3.120 180.004 176.870 0.025 0.000 1.073 277 L CA 1.240 56.099 54.840 0.033 0.000 0.745 277 L CB -0.823 41.246 42.059 0.016 0.000 0.894 277 L HN 0.446 nan 8.230 nan 0.000 0.432 278 A N -0.378 122.462 122.820 0.033 0.000 1.908 278 A HA -0.303 4.015 4.320 -0.003 0.000 0.218 278 A C 2.138 179.753 177.584 0.052 0.000 1.181 278 A CA 2.128 54.181 52.037 0.027 0.000 0.627 278 A CB -0.853 18.164 19.000 0.029 0.000 0.818 278 A HN 0.528 nan 8.150 nan 0.000 0.445 279 H N -0.633 118.429 119.070 -0.013 0.000 2.395 279 H HA 0.056 4.610 4.556 -0.003 0.000 0.299 279 H C 1.611 176.932 175.328 -0.012 0.000 1.070 279 H CA 1.478 57.519 56.048 -0.012 0.000 1.356 279 H CB 0.105 29.861 29.762 -0.009 0.000 1.401 279 H HN 0.206 nan 8.280 nan 0.000 0.524 280 R N 0.017 120.472 120.500 -0.076 0.000 2.334 280 R HA 0.208 4.546 4.340 -0.003 0.000 0.220 280 R C 0.821 177.068 176.300 -0.089 0.000 0.917 280 R CA 0.531 56.558 56.100 -0.122 0.000 1.073 280 R CB -0.527 29.758 30.300 -0.025 0.000 1.056 280 R HN 0.533 nan 8.270 nan 0.000 0.506 281 G N 1.392 110.148 108.800 -0.073 0.000 2.305 281 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.287 281 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.287 281 G C 0.180 175.056 174.900 -0.041 0.000 1.036 281 G CA 0.442 45.508 45.100 -0.057 0.000 0.887 281 G HN 0.153 nan 8.290 nan 0.000 0.505 282 V N -0.248 119.649 119.914 -0.029 0.000 2.649 282 V HA 0.439 4.557 4.120 -0.003 0.000 0.292 282 V C 1.119 177.195 176.094 -0.029 0.000 1.055 282 V CA -0.688 61.600 62.300 -0.020 0.000 1.023 282 V CB 1.793 33.616 31.823 -0.001 0.000 0.992 282 V HN 0.226 nan 8.190 nan 0.000 0.480 283 V N 3.508 123.407 119.914 -0.026 0.000 2.509 283 V HA 0.577 4.695 4.120 -0.003 0.000 0.284 283 V C 0.568 176.646 176.094 -0.027 0.000 1.047 283 V CA -0.383 61.894 62.300 -0.038 0.000 0.952 283 V CB 1.488 33.300 31.823 -0.018 0.000 0.988 283 V HN 1.013 nan 8.190 nan 0.000 0.469 284 A N 3.514 126.308 122.820 -0.044 0.000 2.252 284 A HA 0.628 4.946 4.320 -0.003 0.000 0.309 284 A C 0.258 177.824 177.584 -0.029 0.000 1.285 284 A CA -0.321 51.697 52.037 -0.032 0.000 0.900 284 A CB 0.207 19.179 19.000 -0.047 0.000 1.157 284 A HN 0.768 nan 8.150 nan 0.000 0.536 285 T N 4.293 118.834 114.554 -0.023 0.000 2.733 285 T HA 0.452 4.800 4.350 -0.003 0.000 0.294 285 T C 0.004 174.668 174.700 -0.059 0.000 0.956 285 T CA -0.012 62.069 62.100 -0.032 0.000 0.987 285 T CB 0.168 69.017 68.868 -0.031 0.000 0.920 285 T HN 0.464 nan 8.240 nan 0.000 0.470 286 L N 4.310 125.525 121.223 -0.014 0.000 2.326 286 L HA 0.489 4.827 4.340 -0.003 0.000 0.278 286 L C -0.038 176.867 176.870 0.059 0.000 1.092 286 L CA -0.643 54.231 54.840 0.057 0.000 0.810 286 L CB 0.727 42.882 42.059 0.161 0.000 1.153 286 L HN 0.469 nan 8.230 nan 0.000 0.439 287 L N 5.520 126.807 121.223 0.107 0.000 2.495 287 L HA 0.265 4.603 4.340 -0.003 0.000 0.248 287 L C -1.468 175.542 176.870 0.233 0.000 1.229 287 L CA -1.188 53.671 54.840 0.032 0.000 0.942 287 L CB 1.047 42.952 42.059 -0.256 0.000 1.242 287 L HN 0.429 nan 8.230 nan 0.000 0.484 288 P HA -0.139 nan 4.420 nan 0.000 0.218 288 P C 1.246 178.589 177.300 0.072 0.000 1.149 288 P CA 1.299 64.278 63.100 -0.203 0.000 0.817 288 P CB 0.304 31.663 31.700 -0.569 0.000 0.785 289 T N 0.235 114.846 114.554 0.096 0.000 2.821 289 T HA -0.042 4.306 4.350 -0.003 0.000 0.267 289 T C 2.107 176.997 174.700 0.317 0.000 1.046 289 T CA 1.627 63.832 62.100 0.175 0.000 1.139 289 T CB -0.711 68.202 68.868 0.076 0.000 0.871 289 T HN 0.112 nan 8.240 nan 0.000 0.454 290 A N 0.822 123.819 122.820 0.295 0.000 1.930 290 A HA 0.045 4.363 4.320 -0.003 0.000 0.217 290 A C 1.978 179.767 177.584 0.341 0.000 1.175 290 A CA 1.007 53.239 52.037 0.326 0.000 0.627 290 A CB -0.873 18.361 19.000 0.390 0.000 0.815 290 A HN 0.492 nan 8.150 nan 0.000 0.443 291 F N -0.462 119.643 119.950 0.259 0.000 2.134 291 F HA -0.192 4.333 4.527 -0.004 0.000 0.299 291 F C 2.126 178.036 175.800 0.184 0.000 1.097 291 F CA 1.955 60.103 58.000 0.247 0.000 1.264 291 F CB -0.542 38.673 39.000 0.358 0.000 1.001 291 F HN 0.415 nan 8.300 nan 0.000 0.479 292 Y N -0.235 120.181 120.300 0.193 0.000 2.089 292 Y HA -0.276 4.272 4.550 -0.003 0.000 0.282 292 Y C 2.202 178.140 175.900 0.064 0.000 1.139 292 Y CA 2.111 60.264 58.100 0.087 0.000 1.123 292 Y CB -1.397 37.136 38.460 0.121 0.000 0.980 292 Y HN 0.123 nan 8.280 nan 0.000 0.493 293 F N 0.664 120.382 119.950 -0.386 0.000 2.171 293 F HA -0.159 4.366 4.527 -0.003 0.000 0.300 293 F C 1.869 177.479 175.800 -0.316 0.000 1.090 293 F CA 1.519 59.222 58.000 -0.494 0.000 1.293 293 F CB -0.456 38.458 39.000 -0.144 0.000 1.013 293 F HN 0.129 nan 8.300 nan 0.000 0.486 294 L N -0.036 121.087 121.223 -0.165 0.000 2.552 294 L HA -0.056 4.282 4.340 -0.003 0.000 0.227 294 L C 0.831 177.531 176.870 -0.284 0.000 1.146 294 L CA 0.496 55.211 54.840 -0.208 0.000 0.858 294 L CB -0.524 41.489 42.059 -0.075 0.000 0.969 294 L HN 0.079 nan 8.230 nan 0.000 0.451 295 K N 0.357 120.537 120.400 -0.366 0.000 3.071 295 K HA -0.223 4.095 4.320 -0.003 0.000 0.265 295 K C 0.276 176.659 176.600 -0.361 0.000 1.060 295 K CA 0.417 56.492 56.287 -0.354 0.000 0.767 295 K CB -1.234 31.100 32.500 -0.276 0.000 1.241 295 K HN 0.228 nan 8.250 nan 0.000 0.486 296 E N 0.727 120.602 120.200 -0.543 0.000 2.408 296 E HA 0.102 4.450 4.350 -0.003 0.000 0.259 296 E C 1.120 177.409 176.600 -0.518 0.000 1.110 296 E CA 0.949 57.053 56.400 -0.494 0.000 0.929 296 E CB 0.766 30.177 29.700 -0.481 0.000 0.971 296 E HN 0.253 nan 8.360 nan 0.000 0.438 297 T N -0.447 114.035 114.554 -0.121 0.000 2.975 297 T HA 0.219 4.567 4.350 -0.003 0.000 0.261 297 T C 0.279 175.106 174.700 0.210 0.000 0.984 297 T CA -0.437 61.702 62.100 0.063 0.000 0.911 297 T CB 0.082 68.970 68.868 0.033 0.000 1.127 297 T HN 0.171 nan 8.240 nan 0.000 0.514 298 K N 2.428 122.939 120.400 0.185 0.000 2.284 298 K HA 0.531 4.849 4.320 -0.003 0.000 0.287 298 K C -0.739 175.951 176.600 0.151 0.000 1.081 298 K CA -0.935 55.377 56.287 0.042 0.000 0.910 298 K CB -0.342 31.983 32.500 -0.291 0.000 1.088 298 K HN 0.315 nan 8.250 nan 0.000 0.478 299 L N 6.867 128.104 121.223 0.023 0.000 2.371 299 L HA 0.399 4.737 4.340 -0.003 0.000 0.272 299 L C -1.864 174.793 176.870 -0.354 0.000 1.124 299 L CA -2.096 52.605 54.840 -0.231 0.000 0.816 299 L CB 0.744 42.687 42.059 -0.195 0.000 1.129 299 L HN 0.564 nan 8.230 nan 0.000 0.448 300 P HA 0.053 nan 4.420 nan 0.000 0.269 300 P C -2.338 174.752 177.300 -0.350 0.000 1.209 300 P CA -1.016 61.811 63.100 -0.455 0.000 0.776 300 P CB -0.055 31.258 31.700 -0.647 0.000 0.876 301 P HA -0.009 nan 4.420 nan 0.000 0.231 301 P C 0.774 177.987 177.300 -0.145 0.000 1.756 301 P CA 0.204 63.214 63.100 -0.151 0.000 0.990 301 P CB -0.268 31.375 31.700 -0.095 0.000 1.973 302 V N 1.682 121.485 119.914 -0.185 0.000 2.255 302 V HA -0.253 3.865 4.120 -0.003 0.000 0.247 302 V C 2.631 178.675 176.094 -0.085 0.000 1.051 302 V CA 1.928 64.142 62.300 -0.142 0.000 1.018 302 V CB -0.773 30.965 31.823 -0.140 0.000 0.641 302 V HN 0.145 nan 8.190 nan 0.000 0.445 303 V N 0.259 120.130 119.914 -0.072 0.000 2.287 303 V HA -0.306 3.812 4.120 -0.003 0.000 0.248 303 V C 2.700 178.768 176.094 -0.044 0.000 1.053 303 V CA 2.251 64.522 62.300 -0.047 0.000 1.027 303 V CB -1.209 30.592 31.823 -0.038 0.000 0.646 303 V HN 0.581 nan 8.190 nan 0.000 0.447 304 A N -0.526 122.264 122.820 -0.049 0.000 1.933 304 A HA -0.137 4.181 4.320 -0.003 0.000 0.218 304 A C 2.218 179.778 177.584 -0.041 0.000 1.175 304 A CA 1.711 53.724 52.037 -0.039 0.000 0.628 304 A CB -0.525 18.453 19.000 -0.037 0.000 0.814 304 A HN 0.508 nan 8.150 nan 0.000 0.444 305 L N -1.201 119.990 121.223 -0.054 0.000 2.083 305 L HA -0.185 4.153 4.340 -0.003 0.000 0.209 305 L C 2.909 179.747 176.870 -0.052 0.000 1.083 305 L CA 1.327 56.134 54.840 -0.055 0.000 0.752 305 L CB -0.447 41.569 42.059 -0.072 0.000 0.899 305 L HN 0.368 nan 8.230 nan 0.000 0.433 306 R N 0.213 120.684 120.500 -0.049 0.000 2.066 306 R HA -0.154 4.184 4.340 -0.003 0.000 0.232 306 R C 2.331 178.612 176.300 -0.033 0.000 1.131 306 R CA 1.341 57.416 56.100 -0.042 0.000 0.955 306 R CB -0.174 30.105 30.300 -0.034 0.000 0.851 306 R HN 0.326 nan 8.270 nan 0.000 0.432 307 K N 0.009 120.391 120.400 -0.029 0.000 2.152 307 K HA -0.117 4.201 4.320 -0.003 0.000 0.206 307 K C 1.801 178.389 176.600 -0.020 0.000 1.048 307 K CA 1.484 57.758 56.287 -0.022 0.000 0.933 307 K CB -0.055 32.434 32.500 -0.020 0.000 0.721 307 K HN 0.147 nan 8.250 nan 0.000 0.447 308 A N 0.186 122.992 122.820 -0.023 0.000 2.251 308 A HA 0.199 4.517 4.320 -0.003 0.000 0.209 308 A C 1.351 178.921 177.584 -0.023 0.000 1.187 308 A CA 0.713 52.738 52.037 -0.019 0.000 0.823 308 A CB -0.233 18.758 19.000 -0.016 0.000 0.846 308 A HN 0.400 nan 8.150 nan 0.000 0.486 309 G N -1.032 107.748 108.800 -0.033 0.000 2.160 309 G HA2 -0.205 3.753 3.960 -0.003 0.000 0.251 309 G HA3 -0.205 3.753 3.960 -0.003 0.000 0.251 309 G C 0.155 175.016 174.900 -0.064 0.000 1.008 309 G CA 0.233 45.307 45.100 -0.042 0.000 0.724 309 G HN 0.766 nan 8.290 nan 0.000 0.514 310 V N 3.046 122.918 119.914 -0.070 0.000 2.470 310 V HA 0.325 4.443 4.120 -0.003 0.000 0.276 310 V C -0.147 175.852 176.094 -0.159 0.000 1.040 310 V CA -0.833 61.412 62.300 -0.091 0.000 1.008 310 V CB 0.873 32.656 31.823 -0.066 0.000 0.990 310 V HN 0.383 nan 8.190 nan 0.000 0.477 314 V N 0.788 120.738 119.914 0.061 0.000 2.588 314 V HA 0.864 4.982 4.120 -0.003 0.000 0.304 314 V C 0.135 176.247 176.094 0.029 0.000 1.042 314 V CA -0.167 62.161 62.300 0.046 0.000 0.877 314 V CB 1.758 33.611 31.823 0.050 0.000 0.996 314 V HN 1.272 nan 8.190 nan 0.000 0.425 315 S N 1.665 117.369 115.700 0.007 0.000 2.618 315 S HA 0.452 4.920 4.470 -0.003 0.000 0.277 315 S C 1.006 175.607 174.600 0.002 0.000 1.138 315 S CA 0.184 58.392 58.200 0.012 0.000 0.844 315 S CB 2.180 65.396 63.200 0.026 0.000 1.127 315 S HN 1.008 nan 8.310 nan 0.000 0.474 316 S N 1.463 117.182 115.700 0.033 0.000 2.461 316 S HA 0.041 4.509 4.470 -0.003 0.000 0.228 316 S C 0.653 175.293 174.600 0.066 0.000 1.005 316 S CA 1.459 59.682 58.200 0.039 0.000 0.942 316 S CB -0.583 62.646 63.200 0.048 0.000 0.776 316 S HN 0.996 nan 8.310 nan 0.000 0.514 317 D N 0.557 121.024 120.400 0.111 0.000 2.811 317 D HA -0.181 4.457 4.640 -0.003 0.000 0.231 317 D C -0.549 175.911 176.300 0.267 0.000 1.157 317 D CA 0.425 54.563 54.000 0.231 0.000 0.716 317 D CB -2.286 38.544 40.800 0.048 0.000 1.077 317 D HN 0.696 nan 8.370 nan 0.000 0.428 318 I N 0.740 121.440 120.570 0.217 0.000 3.045 318 I HA -0.115 4.053 4.170 -0.003 0.000 0.306 318 I C 0.878 177.139 176.117 0.241 0.000 1.232 318 I CA 1.096 62.506 61.300 0.184 0.000 1.415 318 I CB -0.292 37.822 38.000 0.188 0.000 1.364 318 I HN 0.397 nan 8.210 nan 0.000 0.538 319 N N 6.705 125.449 118.700 0.073 0.000 2.636 319 N HA 0.287 5.025 4.740 -0.003 0.000 0.261 319 N C -2.464 172.841 175.510 -0.342 0.000 1.195 319 N CA -1.360 51.652 53.050 -0.064 0.000 0.902 319 N CB 1.670 40.098 38.487 -0.097 0.000 1.627 319 N HN 0.039 nan 8.380 nan 0.000 0.491 320 P HA -0.013 nan 4.420 nan 0.000 0.225 320 P C 0.762 177.836 177.300 -0.378 0.000 1.148 320 P CA 1.346 63.991 63.100 -0.760 0.000 0.779 320 P CB 0.074 31.029 31.700 -1.243 0.000 0.780 321 G N 0.015 108.660 108.800 -0.258 0.000 2.556 321 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.209 321 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.209 321 G C 1.345 176.258 174.900 0.021 0.000 1.159 321 G CA 1.173 46.210 45.100 -0.105 0.000 0.828 321 G HN 0.419 nan 8.290 nan 0.000 0.553 322 T N -3.656 110.908 114.554 0.018 0.000 3.004 322 T HA 0.598 4.946 4.350 -0.003 0.000 0.266 322 T C 0.608 175.372 174.700 0.107 0.000 0.986 322 T CA 0.795 62.998 62.100 0.172 0.000 0.902 322 T CB 0.906 69.854 68.868 0.133 0.000 1.118 322 T HN 0.740 nan 8.240 nan 0.000 0.522 323 A N 2.691 125.444 122.820 -0.111 0.000 3.422 323 A HA 0.565 4.883 4.320 -0.003 0.000 0.271 323 A C -2.782 174.655 177.584 -0.245 0.000 1.104 323 A CA -0.942 50.999 52.037 -0.160 0.000 0.899 323 A CB 0.782 19.798 19.000 0.027 0.000 1.309 323 A HN 0.160 nan 8.150 nan 0.000 0.580 324 P HA 0.218 nan 4.420 nan 0.000 0.246 324 P C -0.460 176.705 177.300 -0.225 0.000 1.686 324 P CA 0.398 63.296 63.100 -0.338 0.000 0.867 324 P CB -0.497 30.922 31.700 -0.468 0.000 1.733 325 I N 0.217 120.695 120.570 -0.153 0.000 2.420 325 I HA 0.167 4.335 4.170 -0.003 0.000 0.282 325 I C 0.342 176.439 176.117 -0.033 0.000 1.019 325 I CA -1.066 60.177 61.300 -0.095 0.000 1.130 325 I CB 2.498 40.435 38.000 -0.106 0.000 1.262 325 I HN -0.329 nan 8.210 nan 0.000 0.454 326 V N 4.926 124.831 119.914 -0.014 0.000 2.153 326 V HA 0.194 4.312 4.120 -0.003 0.000 0.250 326 V C 0.381 176.475 176.094 -0.000 0.000 1.334 326 V CA 0.197 62.503 62.300 0.011 0.000 1.249 326 V CB -0.345 31.488 31.823 0.018 0.000 1.371 326 V HN 0.762 nan 8.190 nan 0.000 0.498 327 S N 2.759 118.457 115.700 -0.002 0.000 2.605 327 S HA 0.395 4.863 4.470 -0.003 0.000 0.279 327 S C -0.066 174.534 174.600 -0.001 0.000 1.166 327 S CA -0.538 57.659 58.200 -0.005 0.000 0.975 327 S CB 1.655 64.840 63.200 -0.025 0.000 1.111 327 S HN 0.373 nan 8.310 nan 0.000 0.465 328 L N 5.625 126.856 121.223 0.014 0.000 2.127 328 L HA 0.429 4.767 4.340 -0.003 0.000 0.203 328 L C 1.318 178.192 176.870 0.007 0.000 1.080 328 L CA 1.341 56.193 54.840 0.019 0.000 0.768 328 L CB -0.387 41.694 42.059 0.036 0.000 0.924 328 L HN 0.700 nan 8.230 nan 0.000 0.444 336 C N 0.398 119.678 119.300 -0.033 0.000 2.489 336 C HA 0.027 4.485 4.460 -0.003 0.000 0.279 336 C C 2.883 177.872 174.990 -0.002 0.000 1.266 336 C CA 2.051 61.074 59.018 0.007 0.000 1.707 336 C CB -1.160 26.594 27.740 0.022 0.000 2.059 336 C HN 0.667 nan 8.230 nan 0.000 0.481 337 T N 1.466 115.999 114.554 -0.035 0.000 2.777 337 T HA -0.051 4.297 4.350 -0.003 0.000 0.266 337 T C 1.676 176.365 174.700 -0.018 0.000 1.040 337 T CA 1.263 63.349 62.100 -0.024 0.000 1.141 337 T CB -0.215 68.627 68.868 -0.044 0.000 0.868 337 T HN 0.435 nan 8.240 nan 0.000 0.444 338 L N -0.969 120.198 121.223 -0.092 0.000 2.253 338 L HA 0.211 4.549 4.340 -0.003 0.000 0.205 338 L C 1.654 178.553 176.870 0.047 0.000 1.078 338 L CA 0.716 55.507 54.840 -0.081 0.000 0.805 338 L CB -0.110 41.799 42.059 -0.251 0.000 0.963 338 L HN 0.188 nan 8.230 nan 0.000 0.459 339 F N -0.004 119.883 119.950 -0.104 0.000 2.695 339 F HA 0.362 4.887 4.527 -0.003 0.000 0.303 339 F C 1.757 177.509 175.800 -0.079 0.000 1.091 339 F CA -0.049 57.867 58.000 -0.140 0.000 1.300 339 F CB -0.524 38.380 39.000 -0.159 0.000 1.071 339 F HN 0.152 nan 8.300 nan 0.000 0.578 340 G N 0.839 109.713 108.800 0.122 0.000 2.148 340 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.254 340 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.254 340 G C 0.192 175.126 174.900 0.057 0.000 0.981 340 G CA -0.087 45.055 45.100 0.069 0.000 0.670 340 G HN 0.181 nan 8.290 nan 0.000 0.528 341 L N 1.523 122.789 121.223 0.072 0.000 2.473 341 L HA 0.538 4.876 4.340 -0.003 0.000 0.268 341 L C 1.655 178.547 176.870 0.038 0.000 1.215 341 L CA 0.926 55.798 54.840 0.052 0.000 0.823 341 L CB 0.564 42.663 42.059 0.066 0.000 1.099 341 L HN 0.442 nan 8.230 nan 0.000 0.483 342 T N -1.228 113.341 114.554 0.025 0.000 2.918 342 T HA 0.360 4.708 4.350 -0.003 0.000 0.283 342 T C -1.977 172.743 174.700 0.034 0.000 1.001 342 T CA -1.703 60.411 62.100 0.022 0.000 1.041 342 T CB 1.133 69.999 68.868 -0.003 0.000 1.028 342 T HN 0.401 nan 8.240 nan 0.000 0.511 343 P HA -0.051 nan 4.420 nan 0.000 0.219 343 P C 1.631 178.993 177.300 0.103 0.000 1.146 343 P CA 0.234 63.402 63.100 0.114 0.000 0.808 343 P CB -0.022 31.783 31.700 0.175 0.000 0.779 344 V N -0.080 119.809 119.914 -0.041 0.000 2.453 344 V HA -0.200 3.918 4.120 -0.003 0.000 0.247 344 V C 1.985 177.966 176.094 -0.189 0.000 1.048 344 V CA 1.866 63.943 62.300 -0.371 0.000 1.049 344 V CB -0.736 30.689 31.823 -0.664 0.000 0.672 344 V HN 0.093 nan 8.190 nan 0.000 0.457 345 E N 0.555 120.709 120.200 -0.076 0.000 2.106 345 E HA 0.021 4.369 4.350 -0.003 0.000 0.192 345 E C 1.304 177.921 176.600 0.028 0.000 0.984 345 E CA 0.711 57.107 56.400 -0.006 0.000 0.806 345 E CB -0.223 29.489 29.700 0.019 0.000 0.750 345 E HN 0.713 nan 8.360 nan 0.000 0.458 349 G N 0.508 109.308 108.800 -0.001 0.000 2.448 349 G HA2 0.093 4.051 3.960 -0.003 0.000 0.219 349 G HA3 0.093 4.051 3.960 -0.003 0.000 0.219 349 G C 1.195 176.128 174.900 0.055 0.000 1.127 349 G CA 2.242 47.403 45.100 0.101 0.000 0.766 349 G HN 1.387 nan 8.290 nan 0.000 0.552 350 V N -1.483 118.444 119.914 0.022 0.000 3.376 350 V HA 0.362 4.480 4.120 -0.003 0.000 0.313 350 V C 1.248 177.351 176.094 0.017 0.000 1.393 350 V CA 1.106 63.424 62.300 0.029 0.000 1.125 350 V CB -0.263 31.583 31.823 0.040 0.000 1.037 350 V HN 0.356 nan 8.190 nan 0.000 0.440 351 T N -2.332 112.210 114.554 -0.020 0.000 2.964 351 T HA 0.215 4.563 4.350 -0.003 0.000 0.161 351 T C 1.632 176.297 174.700 -0.058 0.000 0.859 351 T CA 0.589 62.672 62.100 -0.028 0.000 1.015 351 T CB 0.265 69.114 68.868 -0.031 0.000 2.138 351 T HN 0.175 nan 8.240 nan 0.000 0.367 352 R N 0.640 121.058 120.500 -0.136 0.000 2.115 352 R HA -0.181 4.157 4.340 -0.003 0.000 0.239 352 R C 2.469 178.737 176.300 -0.053 0.000 1.133 352 R CA 2.457 58.467 56.100 -0.150 0.000 0.935 352 R CB -0.684 29.437 30.300 -0.298 0.000 0.853 352 R HN 0.718 nan 8.270 nan 0.000 0.433 353 H N -1.370 117.698 119.070 -0.004 0.000 2.428 353 H HA 0.040 4.594 4.556 -0.003 0.000 0.296 353 H C 1.971 177.299 175.328 -0.002 0.000 1.062 353 H CA 0.539 56.584 56.048 -0.005 0.000 1.350 353 H CB 0.054 29.811 29.762 -0.008 0.000 1.403 353 H HN 0.398 nan 8.280 nan 0.000 0.533 354 A N 1.331 124.211 122.820 0.100 0.000 1.930 354 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 354 A C 2.534 180.143 177.584 0.040 0.000 1.175 354 A CA 1.239 53.312 52.037 0.061 0.000 0.627 354 A CB -0.851 18.174 19.000 0.042 0.000 0.815 354 A HN 0.454 nan 8.150 nan 0.000 0.443 355 A N -0.162 122.676 122.820 0.030 0.000 1.877 355 A HA -0.194 4.124 4.320 -0.003 0.000 0.216 355 A C 2.260 179.857 177.584 0.022 0.000 1.186 355 A CA 1.830 53.878 52.037 0.018 0.000 0.620 355 A CB -0.524 18.481 19.000 0.009 0.000 0.822 355 A HN 0.549 nan 8.150 nan 0.000 0.443 356 R N -0.400 120.123 120.500 0.039 0.000 2.081 356 R HA -0.095 4.243 4.340 -0.003 0.000 0.235 356 R C 2.194 178.506 176.300 0.020 0.000 1.131 356 R CA 1.373 57.493 56.100 0.033 0.000 0.960 356 R CB -0.406 29.927 30.300 0.055 0.000 0.856 356 R HN 0.438 nan 8.270 nan 0.000 0.436 357 A N 0.480 123.317 122.820 0.028 0.000 2.070 357 A HA -0.069 4.249 4.320 -0.003 0.000 0.220 357 A C 1.759 179.344 177.584 0.002 0.000 1.159 357 A CA 0.992 53.038 52.037 0.015 0.000 0.656 357 A CB -0.172 18.844 19.000 0.026 0.000 0.800 357 A HN 0.365 nan 8.150 nan 0.000 0.453 358 L N -1.626 119.598 121.223 0.003 0.000 2.728 358 L HA 0.281 4.619 4.340 -0.003 0.000 0.238 358 L C 1.443 178.308 176.870 -0.009 0.000 1.143 358 L CA 0.355 55.190 54.840 -0.007 0.000 0.937 358 L CB -0.029 42.027 42.059 -0.005 0.000 1.225 358 L HN 0.501 nan 8.230 nan 0.000 0.507 359 G N 0.670 109.466 108.800 -0.006 0.000 2.160 359 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.251 359 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.251 359 G C 0.492 175.390 174.900 -0.004 0.000 1.008 359 G CA 0.146 45.242 45.100 -0.008 0.000 0.724 359 G HN 0.397 nan 8.290 nan 0.000 0.514 360 E N 0.178 120.378 120.200 -0.001 0.000 2.569 360 E HA 0.038 4.386 4.350 -0.003 0.000 0.205 360 E C 2.292 178.894 176.600 0.003 0.000 1.006 360 E CA 0.427 56.827 56.400 -0.000 0.000 0.985 360 E CB 0.107 29.806 29.700 -0.001 0.000 1.060 360 E HN 0.828 nan 8.360 nan 0.000 0.460 361 Q N 0.504 120.307 119.800 0.006 0.000 2.197 361 Q HA -0.207 4.131 4.340 -0.003 0.000 0.207 361 Q C 0.943 176.945 176.000 0.004 0.000 0.984 361 Q CA 1.477 57.285 55.803 0.008 0.000 0.869 361 Q CB -0.318 28.428 28.738 0.012 0.000 0.906 361 Q HN 0.367 nan 8.270 nan 0.000 0.426 362 E N -0.114 120.087 120.200 0.002 0.000 2.435 362 E HA -0.029 4.319 4.350 -0.003 0.000 0.195 362 E C 1.778 178.379 176.600 0.002 0.000 1.029 362 E CA 0.364 56.765 56.400 0.001 0.000 0.865 362 E CB 0.313 30.013 29.700 0.001 0.000 0.833 362 E HN 0.424 nan 8.360 nan 0.000 0.510 363 Q N -0.551 119.251 119.800 0.002 0.000 2.391 363 Q HA 0.254 4.592 4.340 -0.003 0.000 0.243 363 Q C 0.709 176.711 176.000 0.003 0.000 0.874 363 Q CA 0.415 56.220 55.803 0.003 0.000 0.950 363 Q CB 1.329 30.069 28.738 0.002 0.000 1.103 363 Q HN 0.164 nan 8.270 nan 0.000 0.544 364 L N -1.935 119.288 121.223 0.000 0.000 2.341 364 L HA 0.673 5.011 4.340 -0.003 0.000 0.254 364 L C 0.656 177.524 176.870 -0.003 0.000 1.040 364 L CA -0.285 54.554 54.840 -0.000 0.000 0.837 364 L CB 2.125 44.182 42.059 -0.002 0.000 1.425 364 L HN 0.249 nan 8.230 nan 0.000 0.414 365 G N 0.073 108.871 108.800 -0.003 0.000 2.194 365 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.236 365 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.236 365 G C -0.088 174.799 174.900 -0.021 0.000 0.987 365 G CA -0.096 44.997 45.100 -0.012 0.000 0.635 365 G HN 0.533 nan 8.290 nan 0.000 0.520 366 Q N -0.879 118.911 119.800 -0.017 0.000 2.416 366 Q HA 0.625 4.963 4.340 -0.003 0.000 0.281 366 Q C -0.433 175.549 176.000 -0.030 0.000 1.067 366 Q CA -0.953 54.833 55.803 -0.028 0.000 0.809 366 Q CB 1.999 30.717 28.738 -0.033 0.000 1.418 366 Q HN 0.180 nan 8.270 nan 0.000 0.411 367 L N 2.768 123.960 121.223 -0.053 0.000 2.389 367 L HA 0.427 4.765 4.340 -0.003 0.000 0.265 367 L C -0.233 176.585 176.870 -0.086 0.000 1.167 367 L CA 0.097 54.886 54.840 -0.085 0.000 1.045 367 L CB -0.373 41.605 42.059 -0.135 0.000 1.351 367 L HN 0.318 nan 8.230 nan 0.000 0.419 368 R N 0.985 121.451 120.500 -0.057 0.000 2.750 368 R HA 0.513 4.851 4.340 -0.003 0.000 0.281 368 R C -0.717 175.563 176.300 -0.034 0.000 0.972 368 R CA -1.016 55.055 56.100 -0.048 0.000 0.912 368 R CB 2.973 33.253 30.300 -0.033 0.000 1.187 368 R HN 0.038 nan 8.270 nan 0.000 0.464 369 V N 2.370 122.263 119.914 -0.035 0.000 2.673 369 V HA 0.286 4.404 4.120 -0.003 0.000 0.303 369 V C 0.907 176.998 176.094 -0.005 0.000 1.046 369 V CA 1.611 63.896 62.300 -0.025 0.000 1.126 369 V CB 0.668 32.463 31.823 -0.047 0.000 0.934 369 V HN 1.057 nan 8.190 nan 0.000 0.487 373 A N 0.773 123.625 122.820 0.053 0.000 3.063 373 A HA 0.435 4.753 4.320 -0.003 0.000 0.263 373 A C -0.693 176.867 177.584 -0.040 0.000 1.736 373 A CA 0.002 52.107 52.037 0.114 0.000 1.408 373 A CB -0.888 18.197 19.000 0.143 0.000 1.108 373 A HN 0.516 nan 8.150 nan 0.000 0.621 374 D N 1.736 122.129 120.400 -0.011 0.000 2.472 374 D HA 0.554 5.192 4.640 -0.003 0.000 0.234 374 D C -0.467 175.801 176.300 -0.053 0.000 1.088 374 D CA 0.255 54.174 54.000 -0.136 0.000 0.882 374 D CB 0.442 41.197 40.800 -0.075 0.000 1.037 374 D HN 0.438 nan 8.370 nan 0.000 0.520 375 F N 0.009 119.830 119.950 -0.215 0.000 2.664 375 F HA 0.717 5.242 4.527 -0.003 0.000 0.317 375 F C -1.726 173.907 175.800 -0.278 0.000 1.108 375 F CA -1.339 56.526 58.000 -0.225 0.000 0.957 375 F CB 1.210 40.047 39.000 -0.272 0.000 1.365 375 F HN -0.089 nan 8.300 nan 0.000 0.475 376 L N 1.970 123.198 121.223 0.008 0.000 2.401 376 L HA 0.755 5.093 4.340 -0.003 0.000 0.266 376 L C -1.219 175.518 176.870 -0.223 0.000 0.991 376 L CA -1.307 53.366 54.840 -0.278 0.000 0.818 376 L CB 2.134 43.873 42.059 -0.534 0.000 1.321 376 L HN 0.551 nan 8.230 nan 0.000 0.413 377 V N 1.095 120.834 119.914 -0.293 0.000 2.357 377 V HA 0.377 4.495 4.120 -0.003 0.000 0.284 377 V C -0.819 175.150 176.094 -0.207 0.000 1.018 377 V CA -0.381 61.852 62.300 -0.112 0.000 0.841 377 V CB 1.086 32.918 31.823 0.015 0.000 0.991 377 V HN 0.580 nan 8.190 nan 0.000 0.437 378 W N 3.191 124.493 121.300 0.002 0.000 2.497 378 W HA 0.443 5.102 4.660 -0.002 0.000 0.359 378 W C 1.099 177.621 176.519 0.004 0.000 1.131 378 W CA -0.761 56.582 57.345 -0.004 0.000 1.280 378 W CB 0.707 30.155 29.460 -0.021 0.000 1.319 378 W HN 0.627 nan 8.180 nan 0.000 0.626 379 N N 0.394 119.269 118.700 0.293 0.000 2.236 379 N HA 0.025 4.763 4.740 -0.003 0.000 0.196 379 N C -0.088 175.504 175.510 0.137 0.000 1.114 379 N CA -0.339 52.811 53.050 0.167 0.000 0.859 379 N CB -0.983 37.578 38.487 0.122 0.000 0.982 379 N HN 0.307 nan 8.380 nan 0.000 0.493 380 C N -1.960 117.432 119.300 0.152 0.000 2.364 380 C HA 0.895 5.353 4.460 -0.003 0.000 0.356 380 C C 2.025 177.026 174.990 0.019 0.000 1.201 380 C CA -0.502 58.546 59.018 0.051 0.000 2.227 380 C CB 0.824 28.553 27.740 -0.018 0.000 2.387 380 C HN 0.245 nan 8.230 nan 0.000 0.546 381 G N -0.578 108.224 108.800 0.004 0.000 2.403 381 G HA2 0.049 4.007 3.960 -0.003 0.000 0.216 381 G HA3 0.049 4.007 3.960 -0.003 0.000 0.216 381 G C 0.644 175.539 174.900 -0.009 0.000 1.154 381 G CA 0.721 45.824 45.100 0.006 0.000 0.784 381 G HN 0.931 nan 8.290 nan 0.000 0.538 382 H N -0.156 118.816 119.070 -0.164 0.000 2.717 382 H HA 0.278 4.832 4.556 -0.003 0.000 0.366 382 H C -1.757 173.353 175.328 -0.362 0.000 1.132 382 H CA -1.564 54.339 56.048 -0.242 0.000 1.180 382 H CB 3.014 32.652 29.762 -0.207 0.000 1.678 382 H HN -0.109 nan 8.280 nan 0.000 0.537 383 P HA -0.107 nan 4.420 nan 0.000 0.222 383 P C 1.049 178.092 177.300 -0.429 0.000 1.147 383 P CA 1.283 63.949 63.100 -0.724 0.000 0.790 383 P CB 0.087 31.119 31.700 -1.114 0.000 0.780 384 A N 0.843 123.598 122.820 -0.109 0.000 2.024 384 A HA -0.213 4.105 4.320 -0.003 0.000 0.220 384 A C 2.312 179.901 177.584 0.009 0.000 1.164 384 A CA 1.748 53.845 52.037 0.100 0.000 0.643 384 A CB -1.383 17.699 19.000 0.137 0.000 0.806 384 A HN 0.280 nan 8.150 nan 0.000 0.451 385 E N -0.045 120.120 120.200 -0.058 0.000 2.268 385 E HA -0.108 4.240 4.350 -0.003 0.000 0.195 385 E C 1.665 178.216 176.600 -0.081 0.000 0.995 385 E CA 0.597 56.970 56.400 -0.045 0.000 0.836 385 E CB -0.234 29.419 29.700 -0.079 0.000 0.763 385 E HN 0.687 nan 8.360 nan 0.000 0.491 386 L N 0.117 121.213 121.223 -0.213 0.000 2.141 386 L HA -0.110 4.228 4.340 -0.003 0.000 0.209 386 L C 2.217 179.027 176.870 -0.101 0.000 1.094 386 L CA 0.888 55.565 54.840 -0.272 0.000 0.763 386 L CB -0.124 41.687 42.059 -0.413 0.000 0.908 386 L HN 0.094 nan 8.230 nan 0.000 0.437 387 S N -2.028 113.662 115.700 -0.016 0.000 2.524 387 S HA -0.034 4.434 4.470 -0.003 0.000 0.216 387 S C 1.453 176.086 174.600 0.055 0.000 0.987 387 S CA 0.085 58.299 58.200 0.024 0.000 0.909 387 S CB 0.055 63.291 63.200 0.060 0.000 0.781 387 S HN 0.336 nan 8.310 nan 0.000 0.521 388 Y N 1.529 121.794 120.300 -0.060 0.000 2.217 388 Y HA 0.384 4.932 4.550 -0.004 0.000 0.286 388 Y C 0.545 176.414 175.900 -0.051 0.000 1.117 388 Y CA 0.269 58.338 58.100 -0.050 0.000 1.113 388 Y CB -0.218 38.213 38.460 -0.048 0.000 1.053 388 Y HN 0.149 nan 8.280 nan 0.000 0.501 389 L N 2.670 123.932 121.223 0.065 0.000 2.278 389 L HA 0.303 4.641 4.340 -0.003 0.000 0.287 389 L C -1.050 175.794 176.870 -0.043 0.000 1.072 389 L CA -0.102 54.725 54.840 -0.021 0.000 0.819 389 L CB -0.088 42.016 42.059 0.075 0.000 1.176 389 L HN 0.076 nan 8.230 nan 0.000 0.435 390 I N 4.580 125.104 120.570 -0.077 0.000 2.648 390 I HA 0.536 4.704 4.170 -0.003 0.000 0.304 390 I C 1.245 177.342 176.117 -0.032 0.000 1.009 390 I CA -0.217 61.051 61.300 -0.054 0.000 1.114 390 I CB 0.942 38.893 38.000 -0.082 0.000 1.293 390 I HN 0.742 nan 8.210 nan 0.000 0.449 391 G N 3.863 112.656 108.800 -0.011 0.000 2.176 391 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.253 391 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.253 391 G C -0.071 174.838 174.900 0.015 0.000 0.979 391 G CA -0.078 45.020 45.100 -0.003 0.000 0.641 391 G HN 0.454 nan 8.290 nan 0.000 0.530 392 V N 1.485 121.418 119.914 0.031 0.000 2.435 392 V HA 0.474 4.592 4.120 -0.003 0.000 0.290 392 V C -0.266 175.874 176.094 0.076 0.000 1.030 392 V CA -1.085 61.242 62.300 0.045 0.000 0.881 392 V CB 1.764 33.614 31.823 0.045 0.000 0.983 392 V HN 0.207 nan 8.190 nan 0.000 0.445 393 D N 3.884 124.321 120.400 0.063 0.000 2.371 393 D HA 0.233 4.871 4.640 -0.003 0.000 0.256 393 D C 0.532 176.892 176.300 0.101 0.000 1.193 393 D CA 0.403 54.444 54.000 0.069 0.000 0.881 393 D CB 1.203 42.020 40.800 0.029 0.000 1.143 393 D HN 0.604 nan 8.370 nan 0.000 0.473 394 Q N 1.216 121.118 119.800 0.171 0.000 2.103 394 Q HA 0.232 4.570 4.340 -0.003 0.000 0.219 394 Q C -0.110 176.002 176.000 0.187 0.000 0.784 394 Q CA -0.218 55.730 55.803 0.241 0.000 1.014 394 Q CB 0.892 29.863 28.738 0.389 0.000 1.183 394 Q HN 0.351 nan 8.270 nan 0.000 0.469 395 L N 0.830 122.027 121.223 -0.044 0.000 2.331 395 L HA 0.147 4.485 4.340 -0.003 0.000 0.278 395 L C 0.964 177.748 176.870 -0.143 0.000 1.106 395 L CA -0.184 54.487 54.840 -0.283 0.000 0.824 395 L CB 1.091 42.910 42.059 -0.400 0.000 1.142 395 L HN 0.007 nan 8.230 nan 0.000 0.443 396 V N 1.175 121.008 119.914 -0.135 0.000 3.263 396 V HA 0.074 4.192 4.120 -0.003 0.000 0.248 396 V C 0.613 176.675 176.094 -0.054 0.000 1.145 396 V CA 0.630 62.903 62.300 -0.045 0.000 1.107 396 V CB 1.034 32.867 31.823 0.015 0.000 0.797 396 V HN 0.785 nan 8.190 nan 0.000 0.467 397 S N -0.043 115.582 115.700 -0.124 0.000 2.543 397 S HA 0.579 5.047 4.470 -0.003 0.000 0.273 397 S C -1.020 173.431 174.600 -0.248 0.000 1.152 397 S CA -0.732 57.408 58.200 -0.101 0.000 0.910 397 S CB 1.591 64.826 63.200 0.058 0.000 1.105 397 S HN 0.357 nan 8.310 nan 0.000 0.465 398 R N 4.142 124.488 120.500 -0.256 0.000 2.422 398 R HA 0.637 4.975 4.340 -0.003 0.000 0.307 398 R C -1.821 174.260 176.300 -0.365 0.000 1.004 398 R CA -0.413 55.484 56.100 -0.337 0.000 0.882 398 R CB 1.029 31.158 30.300 -0.286 0.000 1.164 398 R HN 0.472 nan 8.270 nan 0.000 0.489 399 V N 5.173 124.725 119.914 -0.602 0.000 2.394 399 V HA 0.437 4.555 4.120 -0.003 0.000 0.282 399 V C -0.385 175.364 176.094 -0.575 0.000 1.031 399 V CA -0.640 61.225 62.300 -0.724 0.000 0.881 399 V CB 1.763 32.658 31.823 -1.545 0.000 0.982 399 V HN 0.454 nan 8.190 nan 0.000 0.451 400 V N 4.753 124.461 119.914 -0.343 0.000 2.483 400 V HA 0.481 4.599 4.120 -0.003 0.000 0.297 400 V C 0.656 176.656 176.094 -0.156 0.000 1.027 400 V CA -0.683 61.483 62.300 -0.224 0.000 0.855 400 V CB 1.390 33.121 31.823 -0.153 0.000 0.995 400 V HN 1.036 nan 8.190 nan 0.000 0.424 401 N N 3.424 122.051 118.700 -0.121 0.000 2.735 401 N HA -0.232 4.506 4.740 -0.003 0.000 0.248 401 N C 1.078 176.560 175.510 -0.046 0.000 1.083 401 N CA 1.109 54.120 53.050 -0.064 0.000 0.703 401 N CB -0.546 37.914 38.487 -0.046 0.000 1.005 401 N HN 1.598 nan 8.380 nan 0.000 0.550 402 G N -0.822 107.930 108.800 -0.079 0.000 2.179 402 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.260 402 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.260 402 G C -0.298 174.639 174.900 0.061 0.000 0.977 402 G CA 0.837 45.944 45.100 0.011 0.000 0.641 402 G HN 0.612 nan 8.290 nan 0.000 0.533 403 E N 0.297 120.482 120.200 -0.025 0.000 2.199 403 E HA 0.448 4.796 4.350 -0.003 0.000 0.269 403 E C -0.270 176.316 176.600 -0.023 0.000 0.899 403 E CA -0.939 55.477 56.400 0.027 0.000 0.772 403 E CB 1.761 31.467 29.700 0.011 0.000 1.155 403 E HN 0.227 nan 8.360 nan 0.000 0.408 404 E N 1.077 121.312 120.200 0.059 0.000 2.414 404 E HA -0.023 4.325 4.350 -0.003 0.000 0.263 404 E C 0.430 177.013 176.600 -0.028 0.000 1.000 404 E CA 0.503 56.918 56.400 0.026 0.000 0.914 404 E CB 0.639 30.400 29.700 0.103 0.000 0.948 404 E HN 0.590 nan 8.360 nan 0.000 0.444 405 T N 1.871 116.376 114.554 -0.082 0.000 3.004 405 T HA 0.127 4.475 4.350 -0.003 0.000 0.266 405 T C 1.214 175.839 174.700 -0.125 0.000 0.986 405 T CA -0.367 61.679 62.100 -0.091 0.000 0.902 405 T CB 0.102 68.900 68.868 -0.118 0.000 1.118 405 T HN 0.322 nan 8.240 nan 0.000 0.522 406 L N 0.724 121.853 121.223 -0.156 0.000 2.156 406 L HA 0.310 4.648 4.340 -0.003 0.000 0.208 406 L C 0.909 177.483 176.870 -0.493 0.000 1.095 406 L CA 1.512 56.168 54.840 -0.307 0.000 0.770 406 L CB -1.038 40.862 42.059 -0.264 0.000 0.914 406 L HN 0.487 nan 8.230 nan 0.000 0.439 407 H N 0.000 119.062 119.070 -0.014 0.000 2.539 407 H HA 0.000 4.556 4.556 0.000 0.000 0.296 407 H CA 0.000 56.045 56.048 -0.006 0.000 1.023 407 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 407 H HN 0.000 nan 8.280 nan 0.000 0.496