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 2cb1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEYTTLAVLA GLPEDPHGAV GLPIYAVAAY GFKTLEEGQE RFATGEGYVY DATA SEQUENCE ARQKDPTAKA LEERLKALEG ALEAVVLASG QAATFAALLA LLRPGDEVVA DATA SEQUENCE AKGLFGQTIG LFGQVLSLMG VTVRYVDPEP EAVREALSAK TRAVFVETVA DATA SEQUENCE NPALLVPDLE ALATLAEEAG VALVVDNTFG AAGALCRPLA WGAHVVVESL DATA SEQUENCE TXWASGHGSV LGGAVLSRET ELWRNYPQFL QXXXXXXXPW EALRARCFPE DATA SEQUENCE RVRTLGLSLC GMALSPFNAY LLFQGLETVA LRVARMSETA RFLAERLQGH DATA SEQUENCE PKVKALRYPG LPEDPAHRNA RKYLASGGPI LTLDLGDLER ASRFLGAIRL DATA SEQUENCE LKAANLGDAR TLLVHPWTTT HSRLKEEARL QAGVTPGLVR VSVGLEDPLD DATA SEQUENCE LLALFEEALE AV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 E N 0.632 120.839 120.200 0.011 0.000 2.345 2 E HA 0.101 4.450 4.350 -0.001 0.000 0.259 2 E C 0.188 176.825 176.600 0.061 0.000 1.117 2 E CA -0.064 56.363 56.400 0.045 0.000 0.913 2 E CB 0.588 30.320 29.700 0.053 0.000 1.057 2 E HN 0.694 nan 8.360 nan 0.000 0.432 3 Y N 1.840 122.129 120.300 -0.019 0.000 2.139 3 Y HA -0.329 4.221 4.550 -0.001 0.000 0.282 3 Y C 2.282 178.167 175.900 -0.025 0.000 1.179 3 Y CA 2.911 60.999 58.100 -0.020 0.000 1.161 3 Y CB -0.165 38.285 38.460 -0.016 0.000 0.970 3 Y HN 0.605 nan 8.280 nan 0.000 0.511 4 T N -3.638 111.040 114.554 0.207 0.000 2.821 4 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 4 T C 1.737 176.439 174.700 0.002 0.000 1.046 4 T CA 1.676 63.851 62.100 0.124 0.000 1.139 4 T CB -1.016 67.914 68.868 0.103 0.000 0.871 4 T HN 0.334 nan 8.240 nan 0.000 0.454 5 T N 2.656 117.205 114.554 -0.009 0.000 2.674 5 T HA 0.091 4.440 4.350 -0.001 0.000 0.265 5 T C 1.940 176.590 174.700 -0.084 0.000 1.039 5 T CA 1.155 63.233 62.100 -0.036 0.000 1.150 5 T CB -0.583 68.274 68.868 -0.019 0.000 0.864 5 T HN 0.264 nan 8.240 nan 0.000 0.427 6 L N 0.816 121.962 121.223 -0.128 0.000 2.131 6 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 6 L C 2.939 179.669 176.870 -0.233 0.000 1.092 6 L CA 1.016 55.751 54.840 -0.174 0.000 0.759 6 L CB -0.595 41.329 42.059 -0.224 0.000 0.903 6 L HN 0.254 nan 8.230 nan 0.000 0.435 7 A N -0.307 122.338 122.820 -0.292 0.000 2.067 7 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 7 A C 2.092 179.522 177.584 -0.257 0.000 1.158 7 A CA 1.631 53.479 52.037 -0.315 0.000 0.661 7 A CB -0.494 18.346 19.000 -0.265 0.000 0.801 7 A HN 0.356 nan 8.150 nan 0.000 0.452 8 V N -4.491 115.316 119.914 -0.178 0.000 3.660 8 V HA 0.323 4.442 4.120 -0.001 0.000 0.276 8 V C 1.536 177.562 176.094 -0.114 0.000 1.317 8 V CA 0.679 62.887 62.300 -0.153 0.000 1.097 8 V CB -0.148 31.624 31.823 -0.085 0.000 0.863 8 V HN 0.349 nan 8.190 nan 0.000 0.438 9 L N 0.647 121.810 121.223 -0.099 0.000 2.526 9 L HA 0.627 4.966 4.340 -0.001 0.000 0.210 9 L C 1.683 178.543 176.870 -0.017 0.000 1.048 9 L CA 0.548 55.365 54.840 -0.039 0.000 0.852 9 L CB -0.236 41.805 42.059 -0.031 0.000 1.128 9 L HN 0.266 nan 8.230 nan 0.000 0.482 10 A N 0.489 123.274 122.820 -0.059 0.000 2.546 10 A HA 0.376 4.696 4.320 -0.001 0.000 0.243 10 A C 1.354 178.978 177.584 0.067 0.000 1.063 10 A CA 0.889 52.914 52.037 -0.020 0.000 0.757 10 A CB -0.298 18.660 19.000 -0.070 0.000 0.991 10 A HN 0.657 nan 8.150 nan 0.000 0.503 11 G N 1.216 110.087 108.800 0.118 0.000 2.225 11 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.254 11 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.254 11 G C 0.261 175.324 174.900 0.272 0.000 0.988 11 G CA 0.225 45.458 45.100 0.222 0.000 0.625 11 G HN 0.885 nan 8.290 nan 0.000 0.527 12 L N 3.119 124.514 121.223 0.286 0.000 2.559 12 L HA 0.239 4.578 4.340 -0.001 0.000 0.274 12 L C -0.853 176.066 176.870 0.082 0.000 1.205 12 L CA -1.088 53.882 54.840 0.217 0.000 0.907 12 L CB 0.153 42.318 42.059 0.178 0.000 1.153 12 L HN 0.131 nan 8.230 nan 0.000 0.490 13 P HA 0.055 nan 4.420 nan 0.000 0.274 13 P C -0.679 176.629 177.300 0.013 0.000 1.237 13 P CA -0.535 62.563 63.100 -0.002 0.000 0.793 13 P CB 0.748 32.428 31.700 -0.034 0.000 0.977 14 E N 1.137 121.339 120.200 0.003 0.000 1.814 14 E HA 0.080 4.430 4.350 -0.001 0.000 0.264 14 E C -0.595 176.000 176.600 -0.008 0.000 1.179 14 E CA -0.052 56.349 56.400 0.002 0.000 0.972 14 E CB -1.106 28.593 29.700 -0.003 0.000 1.077 14 E HN 0.275 nan 8.360 nan 0.000 0.417 15 D N 3.546 123.947 120.400 0.002 0.000 2.345 15 D HA 0.120 4.759 4.640 -0.001 0.000 0.247 15 D C -1.522 174.739 176.300 -0.064 0.000 1.108 15 D CA -1.737 52.257 54.000 -0.011 0.000 0.894 15 D CB 1.260 42.081 40.800 0.034 0.000 1.203 15 D HN 0.217 nan 8.370 nan 0.000 0.430 16 P HA -0.111 nan 4.420 nan 0.000 0.225 16 P C 0.205 177.346 177.300 -0.264 0.000 1.148 16 P CA 1.031 63.976 63.100 -0.259 0.000 0.779 16 P CB 0.172 31.619 31.700 -0.422 0.000 0.780 17 H N -2.651 116.430 119.070 0.018 0.000 2.586 17 H HA 0.330 4.886 4.556 -0.001 0.000 0.273 17 H C 1.557 176.894 175.328 0.016 0.000 0.997 17 H CA 0.871 56.927 56.048 0.014 0.000 1.177 17 H CB 0.210 29.977 29.762 0.009 0.000 1.471 17 H HN 0.137 nan 8.280 nan 0.000 0.538 18 G N 1.060 109.913 108.800 0.089 0.000 2.176 18 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.253 18 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.253 18 G C 0.660 175.606 174.900 0.077 0.000 0.979 18 G CA 0.154 45.295 45.100 0.070 0.000 0.641 18 G HN 0.686 nan 8.290 nan 0.000 0.530 19 A N -0.113 122.766 122.820 0.099 0.000 2.591 19 A HA 0.426 4.746 4.320 -0.001 0.000 0.244 19 A C 0.873 178.505 177.584 0.079 0.000 1.031 19 A CA 1.051 53.143 52.037 0.091 0.000 0.767 19 A CB 0.396 19.459 19.000 0.104 0.000 0.942 19 A HN 1.254 nan 8.150 nan 0.000 0.514 20 V N 4.025 123.986 119.914 0.077 0.000 2.221 20 V HA 0.607 4.726 4.120 -0.001 0.000 0.258 20 V C 0.973 177.129 176.094 0.103 0.000 1.179 20 V CA 0.923 63.272 62.300 0.080 0.000 1.022 20 V CB -0.981 30.880 31.823 0.064 0.000 1.228 20 V HN 1.625 nan 8.190 nan 0.000 0.487 21 G N 3.216 112.091 108.800 0.124 0.000 2.356 21 G HA2 0.299 4.259 3.960 -0.001 0.000 0.266 21 G HA3 0.299 4.259 3.960 -0.001 0.000 0.266 21 G C -2.008 172.959 174.900 0.112 0.000 1.312 21 G CA -0.729 44.471 45.100 0.165 0.000 0.922 21 G HN 0.385 nan 8.290 nan 0.000 0.480 22 L N 1.873 123.163 121.223 0.112 0.000 2.388 22 L HA 0.682 5.022 4.340 -0.001 0.000 0.267 22 L C -2.309 174.631 176.870 0.118 0.000 0.995 22 L CA -1.815 53.022 54.840 -0.005 0.000 0.864 22 L CB 1.264 43.124 42.059 -0.330 0.000 1.216 22 L HN 0.345 nan 8.230 nan 0.000 0.430 23 P HA 0.224 nan 4.420 nan 0.000 0.269 23 P C -0.683 176.588 177.300 -0.048 0.000 1.215 23 P CA 0.177 63.267 63.100 -0.016 0.000 0.780 23 P CB 0.528 32.211 31.700 -0.029 0.000 0.898 24 I N 2.443 122.870 120.570 -0.238 0.000 2.297 24 I HA 0.139 4.309 4.170 -0.001 0.000 0.291 24 I C -0.064 175.844 176.117 -0.348 0.000 1.033 24 I CA -0.536 60.573 61.300 -0.320 0.000 1.253 24 I CB 0.200 37.827 38.000 -0.621 0.000 1.396 24 I HN 0.316 nan 8.210 nan 0.000 0.476 25 Y N 5.389 125.533 120.300 -0.260 0.000 2.623 25 Y HA 0.260 4.810 4.550 -0.001 0.000 0.341 25 Y C 1.124 176.886 175.900 -0.230 0.000 1.292 25 Y CA -0.343 57.635 58.100 -0.204 0.000 1.840 25 Y CB 0.275 38.657 38.460 -0.130 0.000 1.865 25 Y HN 0.649 nan 8.280 nan 0.000 0.440 26 A N 2.670 125.331 122.820 -0.265 0.000 3.091 26 A HA 0.482 4.802 4.320 -0.001 0.000 0.264 26 A C -0.303 177.204 177.584 -0.128 0.000 1.673 26 A CA -0.223 51.689 52.037 -0.209 0.000 1.362 26 A CB -0.981 17.854 19.000 -0.276 0.000 1.137 26 A HN 0.372 nan 8.150 nan 0.000 0.617 27 V N -2.542 117.301 119.914 -0.118 0.000 2.760 27 V HA 0.801 4.920 4.120 -0.001 0.000 0.309 27 V C 0.546 176.530 176.094 -0.183 0.000 1.077 27 V CA -0.103 62.089 62.300 -0.179 0.000 0.910 27 V CB 1.163 32.800 31.823 -0.310 0.000 1.008 27 V HN 0.568 nan 8.190 nan 0.000 0.424 28 A N 3.452 126.163 122.820 -0.182 0.000 1.935 28 A HA 0.824 5.143 4.320 -0.001 0.000 0.214 28 A C 1.246 178.706 177.584 -0.208 0.000 1.178 28 A CA 1.115 53.019 52.037 -0.221 0.000 0.640 28 A CB -0.198 18.725 19.000 -0.128 0.000 0.825 28 A HN 2.087 nan 8.150 nan 0.000 0.447 29 A N -1.937 120.784 122.820 -0.165 0.000 2.527 29 A HA 0.714 5.034 4.320 -0.001 0.000 0.293 29 A C -1.580 175.855 177.584 -0.248 0.000 1.117 29 A CA -0.523 51.539 52.037 0.041 0.000 0.723 29 A CB 0.741 19.870 19.000 0.215 0.000 1.313 29 A HN 0.286 nan 8.150 nan 0.000 0.411 30 Y N 0.016 120.408 120.300 0.153 0.000 2.361 30 Y HA 0.552 5.102 4.550 -0.001 0.000 0.337 30 Y C 0.929 176.916 175.900 0.145 0.000 0.965 30 Y CA -0.273 57.912 58.100 0.142 0.000 1.091 30 Y CB 2.398 40.971 38.460 0.189 0.000 1.182 30 Y HN 0.931 nan 8.280 nan 0.000 0.450 31 G N 2.075 110.950 108.800 0.125 0.000 2.502 31 G HA2 0.630 4.590 3.960 -0.001 0.000 0.305 31 G HA3 0.630 4.590 3.960 -0.001 0.000 0.305 31 G C -1.318 173.602 174.900 0.033 0.000 1.190 31 G CA -0.496 44.538 45.100 -0.110 0.000 0.933 31 G HN 0.526 nan 8.290 nan 0.000 0.503 32 F N -2.346 117.674 119.950 0.116 0.000 2.626 32 F HA 0.614 5.141 4.527 -0.000 0.000 0.311 32 F C 0.617 176.461 175.800 0.073 0.000 1.088 32 F CA -1.392 56.668 58.000 0.099 0.000 0.949 32 F CB 1.779 40.847 39.000 0.113 0.000 1.322 32 F HN 0.236 nan 8.300 nan 0.000 0.461 33 K N 0.022 120.576 120.400 0.258 0.000 2.356 33 K HA 0.165 4.485 4.320 -0.001 0.000 0.195 33 K C 0.167 176.865 176.600 0.164 0.000 1.037 33 K CA 0.869 57.240 56.287 0.141 0.000 1.014 33 K CB 0.402 32.963 32.500 0.102 0.000 0.815 33 K HN 0.918 nan 8.250 nan 0.000 0.507 34 T N -3.008 111.696 114.554 0.250 0.000 2.883 34 T HA 0.300 4.650 4.350 -0.001 0.000 0.296 34 T C 0.975 175.819 174.700 0.240 0.000 1.117 34 T CA -0.840 61.373 62.100 0.189 0.000 1.006 34 T CB 1.562 70.497 68.868 0.110 0.000 1.191 34 T HN -0.050 nan 8.240 nan 0.000 0.508 35 L N 0.545 121.860 121.223 0.152 0.000 2.013 35 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 35 L C 2.400 179.280 176.870 0.018 0.000 1.073 35 L CA 1.988 56.891 54.840 0.104 0.000 0.753 35 L CB -0.400 41.693 42.059 0.058 0.000 0.890 35 L HN 0.824 nan 8.230 nan 0.000 0.432 36 E N -0.122 120.090 120.200 0.020 0.000 2.110 36 E HA -0.269 4.081 4.350 -0.001 0.000 0.193 36 E C 1.993 178.566 176.600 -0.043 0.000 0.988 36 E CA 1.455 57.846 56.400 -0.014 0.000 0.804 36 E CB -0.140 29.562 29.700 0.005 0.000 0.745 36 E HN 0.581 nan 8.360 nan 0.000 0.458 37 E N 0.005 120.198 120.200 -0.012 0.000 2.051 37 E HA -0.153 4.197 4.350 -0.001 0.000 0.192 37 E C 2.182 178.645 176.600 -0.228 0.000 0.991 37 E CA 1.174 57.557 56.400 -0.028 0.000 0.799 37 E CB -0.328 29.435 29.700 0.106 0.000 0.748 37 E HN 0.303 nan 8.360 nan 0.000 0.449 38 G N 0.994 109.440 108.800 -0.590 0.000 2.476 38 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.218 38 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.218 38 G C 1.481 176.105 174.900 -0.459 0.000 1.164 38 G CA 1.104 45.360 45.100 -1.407 0.000 0.768 38 G HN 0.381 nan 8.290 nan 0.000 0.560 39 Q N 0.064 119.703 119.800 -0.267 0.000 2.084 39 Q HA -0.155 4.185 4.340 -0.001 0.000 0.202 39 Q C 2.419 178.393 176.000 -0.044 0.000 0.978 39 Q CA 1.945 57.677 55.803 -0.118 0.000 0.844 39 Q CB -0.206 28.475 28.738 -0.094 0.000 0.898 39 Q HN 0.606 nan 8.270 nan 0.000 0.426 40 E N 0.217 120.377 120.200 -0.067 0.000 2.077 40 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 40 E C 1.988 178.558 176.600 -0.051 0.000 0.989 40 E CA 1.323 57.695 56.400 -0.046 0.000 0.800 40 E CB 0.036 29.709 29.700 -0.044 0.000 0.746 40 E HN 0.306 nan 8.360 nan 0.000 0.452 41 R N -0.787 119.665 120.500 -0.079 0.000 2.096 41 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 41 R C 2.244 178.457 176.300 -0.144 0.000 1.127 41 R CA 1.427 57.453 56.100 -0.124 0.000 0.968 41 R CB -0.447 29.762 30.300 -0.153 0.000 0.861 41 R HN 0.256 nan 8.270 nan 0.000 0.440 42 F N 0.806 120.668 119.950 -0.147 0.000 2.186 42 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 42 F C 2.613 178.362 175.800 -0.084 0.000 1.090 42 F CA 1.361 59.298 58.000 -0.104 0.000 1.307 42 F CB -0.346 38.588 39.000 -0.109 0.000 1.019 42 F HN 0.062 nan 8.300 nan 0.000 0.489 43 A N -0.439 122.432 122.820 0.085 0.000 1.873 43 A HA -0.170 4.150 4.320 -0.001 0.000 0.215 43 A C 2.189 179.764 177.584 -0.016 0.000 1.186 43 A CA 2.213 54.266 52.037 0.026 0.000 0.616 43 A CB -1.279 17.725 19.000 0.006 0.000 0.823 43 A HN 0.390 nan 8.150 nan 0.000 0.442 44 T N -4.903 109.624 114.554 -0.045 0.000 3.044 44 T HA 0.391 4.740 4.350 -0.001 0.000 0.250 44 T C 1.469 176.107 174.700 -0.103 0.000 1.081 44 T CA 1.131 63.190 62.100 -0.068 0.000 1.040 44 T CB 0.064 68.889 68.868 -0.071 0.000 0.962 44 T HN 1.696 nan 8.240 nan 0.000 0.506 45 G N 1.375 110.095 108.800 -0.133 0.000 2.166 45 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.260 45 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.260 45 G C -0.185 174.573 174.900 -0.236 0.000 0.986 45 G CA 0.482 45.467 45.100 -0.192 0.000 0.683 45 G HN 0.681 nan 8.290 nan 0.000 0.527 46 E N -0.314 119.764 120.200 -0.204 0.000 2.318 46 E HA 0.535 4.885 4.350 -0.001 0.000 0.265 46 E C 1.079 177.519 176.600 -0.266 0.000 1.069 46 E CA -0.028 56.237 56.400 -0.226 0.000 0.893 46 E CB 0.943 30.552 29.700 -0.152 0.000 1.076 46 E HN 1.336 nan 8.360 nan 0.000 0.414 47 G N 0.256 108.865 108.800 -0.318 0.000 2.806 47 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.236 47 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.236 47 G C -1.207 173.350 174.900 -0.572 0.000 1.387 47 G CA -0.432 44.483 45.100 -0.309 0.000 0.884 47 G HN 0.414 nan 8.290 nan 0.000 0.560 48 Y N -1.107 119.023 120.300 -0.283 0.000 2.487 48 Y HA 0.544 5.094 4.550 -0.001 0.000 0.337 48 Y C 1.442 177.225 175.900 -0.195 0.000 1.076 48 Y CA -0.029 57.786 58.100 -0.476 0.000 1.115 48 Y CB 2.060 39.758 38.460 -1.269 0.000 1.235 48 Y HN 0.849 nan 8.280 nan 0.000 0.468 49 V N -1.506 118.421 119.914 0.021 0.000 3.229 49 V HA 0.391 4.511 4.120 -0.001 0.000 0.239 49 V C -1.077 175.318 176.094 0.501 0.000 1.390 49 V CA -0.128 62.321 62.300 0.249 0.000 1.231 49 V CB 0.413 32.170 31.823 -0.111 0.000 1.025 49 V HN 0.643 nan 8.190 nan 0.000 0.461 50 Y N -0.284 120.155 120.300 0.231 0.000 2.480 50 Y HA 0.765 5.314 4.550 -0.001 0.000 0.329 50 Y C 0.784 176.815 175.900 0.218 0.000 1.127 50 Y CA -0.322 57.927 58.100 0.248 0.000 1.037 50 Y CB 2.057 40.614 38.460 0.161 0.000 1.320 50 Y HN 0.100 nan 8.280 nan 0.000 0.446 51 A N 4.896 127.518 122.820 -0.330 0.000 2.066 51 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 51 A C 2.078 179.609 177.584 -0.088 0.000 1.157 51 A CA 1.352 53.322 52.037 -0.111 0.000 0.670 51 A CB -0.369 18.540 19.000 -0.152 0.000 0.804 51 A HN 0.858 nan 8.150 nan 0.000 0.453 52 R N -0.739 119.702 120.500 -0.097 0.000 2.120 52 R HA -0.187 4.153 4.340 -0.001 0.000 0.234 52 R C 2.040 178.409 176.300 0.115 0.000 1.123 52 R CA 1.793 57.962 56.100 0.115 0.000 0.975 52 R CB -0.099 30.389 30.300 0.312 0.000 0.866 52 R HN 0.529 nan 8.270 nan 0.000 0.446 53 Q N 0.216 120.093 119.800 0.128 0.000 2.062 53 Q HA -0.015 4.325 4.340 -0.001 0.000 0.196 53 Q C 0.079 176.077 176.000 -0.004 0.000 0.967 53 Q CA 1.491 57.320 55.803 0.042 0.000 0.832 53 Q CB 0.221 28.959 28.738 -0.000 0.000 0.899 53 Q HN 0.264 nan 8.270 nan 0.000 0.442 54 K N -0.881 119.523 120.400 0.006 0.000 2.642 54 K HA 0.480 4.799 4.320 -0.001 0.000 0.290 54 K C -1.934 174.738 176.600 0.121 0.000 1.006 54 K CA -0.731 55.567 56.287 0.019 0.000 0.869 54 K CB 1.751 34.205 32.500 -0.077 0.000 1.499 54 K HN -0.048 nan 8.250 nan 0.000 0.403 55 D N 0.647 121.122 120.400 0.126 0.000 2.927 55 D HA 0.359 4.998 4.640 -0.001 0.000 0.219 55 D C -2.405 173.813 176.300 -0.137 0.000 1.248 55 D CA -1.611 52.378 54.000 -0.018 0.000 0.861 55 D CB 2.588 43.397 40.800 0.016 0.000 1.677 55 D HN 0.244 nan 8.370 nan 0.000 0.511 56 P HA -0.057 nan 4.420 nan 0.000 0.220 56 P C 0.899 178.040 177.300 -0.265 0.000 1.148 56 P CA 1.158 63.952 63.100 -0.509 0.000 0.803 56 P CB 0.270 31.312 31.700 -1.097 0.000 0.782 57 T N -0.771 113.682 114.554 -0.169 0.000 2.809 57 T HA -0.043 4.306 4.350 -0.001 0.000 0.260 57 T C 1.956 176.606 174.700 -0.083 0.000 1.039 57 T CA 1.354 63.394 62.100 -0.101 0.000 1.141 57 T CB -0.980 67.871 68.868 -0.027 0.000 0.869 57 T HN 0.010 nan 8.240 nan 0.000 0.437 58 A N 1.979 124.779 122.820 -0.033 0.000 1.940 58 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 58 A C 2.228 179.813 177.584 0.002 0.000 1.176 58 A CA 2.122 54.162 52.037 0.005 0.000 0.631 58 A CB -0.630 18.382 19.000 0.020 0.000 0.814 58 A HN 0.512 nan 8.150 nan 0.000 0.446 59 K N -0.269 120.120 120.400 -0.018 0.000 2.057 59 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 59 K C 2.135 178.731 176.600 -0.007 0.000 1.049 59 K CA 1.324 57.606 56.287 -0.008 0.000 0.931 59 K CB -0.384 32.118 32.500 0.003 0.000 0.714 59 K HN 0.350 nan 8.250 nan 0.000 0.440 60 A N 1.401 124.184 122.820 -0.061 0.000 1.908 60 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 60 A C 2.063 179.728 177.584 0.135 0.000 1.181 60 A CA 1.529 53.534 52.037 -0.054 0.000 0.627 60 A CB -0.620 18.143 19.000 -0.394 0.000 0.818 60 A HN 0.426 nan 8.150 nan 0.000 0.445 61 L N -0.014 121.286 121.223 0.128 0.000 2.093 61 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 61 L C 2.099 179.072 176.870 0.170 0.000 1.085 61 L CA 2.276 57.289 54.840 0.289 0.000 0.755 61 L CB -0.686 41.500 42.059 0.211 0.000 0.904 61 L HN 0.518 nan 8.230 nan 0.000 0.435 62 E N -0.292 119.969 120.200 0.101 0.000 2.058 62 E HA -0.265 4.085 4.350 -0.001 0.000 0.194 62 E C 2.038 178.678 176.600 0.066 0.000 0.997 62 E CA 1.809 58.250 56.400 0.069 0.000 0.801 62 E CB -0.172 29.551 29.700 0.037 0.000 0.746 62 E HN 0.622 nan 8.360 nan 0.000 0.450 63 E N 0.292 120.535 120.200 0.071 0.000 2.110 63 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 63 E C 2.167 178.803 176.600 0.060 0.000 0.988 63 E CA 0.674 57.108 56.400 0.057 0.000 0.804 63 E CB -0.056 29.677 29.700 0.055 0.000 0.745 63 E HN 0.100 nan 8.360 nan 0.000 0.458 64 R N 0.909 121.472 120.500 0.106 0.000 2.066 64 R HA -0.093 4.246 4.340 -0.001 0.000 0.232 64 R C 2.296 178.587 176.300 -0.015 0.000 1.131 64 R CA 0.871 56.988 56.100 0.028 0.000 0.955 64 R CB -0.141 30.160 30.300 0.003 0.000 0.851 64 R HN 0.130 nan 8.270 nan 0.000 0.432 65 L N 1.138 122.381 121.223 0.033 0.000 2.083 65 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 65 L C 2.731 179.619 176.870 0.030 0.000 1.083 65 L CA 1.664 56.525 54.840 0.034 0.000 0.752 65 L CB -0.498 41.601 42.059 0.067 0.000 0.899 65 L HN 0.290 nan 8.230 nan 0.000 0.433 66 K N 0.650 121.068 120.400 0.031 0.000 2.044 66 K HA -0.266 4.054 4.320 -0.001 0.000 0.210 66 K C 2.087 178.690 176.600 0.005 0.000 1.049 66 K CA 1.797 58.100 56.287 0.026 0.000 0.927 66 K CB -0.194 32.320 32.500 0.023 0.000 0.713 66 K HN 0.270 nan 8.250 nan 0.000 0.443 67 A N 1.068 123.876 122.820 -0.021 0.000 1.933 67 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 67 A C 2.139 179.675 177.584 -0.080 0.000 1.175 67 A CA 1.388 53.393 52.037 -0.053 0.000 0.628 67 A CB -0.444 18.509 19.000 -0.078 0.000 0.814 67 A HN 0.370 nan 8.150 nan 0.000 0.444 68 L N -1.158 120.006 121.223 -0.098 0.000 2.162 68 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 68 L C 2.288 179.226 176.870 0.114 0.000 1.086 68 L CA 0.778 55.539 54.840 -0.131 0.000 0.778 68 L CB -0.341 41.596 42.059 -0.203 0.000 0.928 68 L HN 0.334 nan 8.230 nan 0.000 0.446 69 E N 0.269 120.522 120.200 0.088 0.000 2.371 69 E HA 0.010 4.359 4.350 -0.001 0.000 0.194 69 E C 1.117 177.755 176.600 0.063 0.000 1.012 69 E CA 0.749 57.209 56.400 0.101 0.000 0.860 69 E CB 0.275 30.030 29.700 0.092 0.000 0.811 69 E HN 0.473 nan 8.360 nan 0.000 0.502 70 G N 1.668 110.490 108.800 0.038 0.000 2.248 70 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.263 70 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.263 70 G C 0.244 175.153 174.900 0.016 0.000 1.082 70 G CA 0.313 45.421 45.100 0.014 0.000 0.863 70 G HN 0.460 nan 8.290 nan 0.000 0.495 71 A N -0.991 121.847 122.820 0.030 0.000 2.256 71 A HA 0.859 5.179 4.320 -0.001 0.000 0.318 71 A C 1.441 179.048 177.584 0.038 0.000 1.103 71 A CA 0.233 52.296 52.037 0.044 0.000 0.860 71 A CB 0.746 19.785 19.000 0.066 0.000 1.182 71 A HN 1.239 nan 8.150 nan 0.000 0.501 72 L N -0.428 120.829 121.223 0.056 0.000 2.056 72 L HA 0.152 4.492 4.340 -0.001 0.000 0.207 72 L C 0.757 177.652 176.870 0.040 0.000 1.078 72 L CA 2.366 57.237 54.840 0.050 0.000 0.749 72 L CB -0.225 41.880 42.059 0.076 0.000 0.901 72 L HN 0.855 nan 8.230 nan 0.000 0.433 73 E N -1.603 118.630 120.200 0.055 0.000 2.375 73 E HA 0.601 4.950 4.350 -0.001 0.000 0.280 73 E C -1.777 174.853 176.600 0.050 0.000 0.972 73 E CA -0.316 56.105 56.400 0.035 0.000 0.782 73 E CB 1.584 31.296 29.700 0.019 0.000 1.229 73 E HN 0.176 nan 8.360 nan 0.000 0.439 74 A N 2.209 125.050 122.820 0.035 0.000 2.374 74 A HA 0.762 5.081 4.320 -0.001 0.000 0.317 74 A C -1.329 176.267 177.584 0.020 0.000 1.094 74 A CA -0.592 51.471 52.037 0.043 0.000 0.765 74 A CB 1.743 20.775 19.000 0.054 0.000 1.268 74 A HN 0.290 nan 8.150 nan 0.000 0.438 75 V N 2.201 122.126 119.914 0.019 0.000 2.531 75 V HA 0.556 4.676 4.120 -0.001 0.000 0.301 75 V C -0.035 176.076 176.094 0.028 0.000 1.034 75 V CA -0.559 61.741 62.300 -0.000 0.000 0.865 75 V CB 1.481 33.277 31.823 -0.046 0.000 0.995 75 V HN 1.073 nan 8.190 nan 0.000 0.424 76 V N 3.959 123.894 119.914 0.035 0.000 2.713 76 V HA 0.913 5.033 4.120 -0.001 0.000 0.307 76 V C -0.649 175.478 176.094 0.054 0.000 1.052 76 V CA -0.453 61.880 62.300 0.056 0.000 0.967 76 V CB 1.580 33.445 31.823 0.069 0.000 1.019 76 V HN 0.650 nan 8.190 nan 0.000 0.459 77 L N 2.032 123.296 121.223 0.069 0.000 2.510 77 L HA 0.777 5.116 4.340 -0.001 0.000 0.252 77 L C 1.310 178.232 176.870 0.088 0.000 1.091 77 L CA 0.017 54.903 54.840 0.075 0.000 0.888 77 L CB 1.305 43.412 42.059 0.080 0.000 1.507 77 L HN 0.686 nan 8.230 nan 0.000 0.407 78 A N -0.335 122.541 122.820 0.093 0.000 2.067 78 A HA 0.270 4.590 4.320 -0.001 0.000 0.219 78 A C 0.673 178.312 177.584 0.092 0.000 1.158 78 A CA 1.496 53.588 52.037 0.092 0.000 0.661 78 A CB -0.541 18.514 19.000 0.092 0.000 0.801 78 A HN 0.759 nan 8.150 nan 0.000 0.452 79 S N -4.919 110.839 115.700 0.097 0.000 2.587 79 S HA 0.500 4.970 4.470 -0.001 0.000 0.269 79 S C 0.957 175.616 174.600 0.098 0.000 1.154 79 S CA 0.073 58.328 58.200 0.091 0.000 0.824 79 S CB 0.708 63.962 63.200 0.090 0.000 1.118 79 S HN 0.810 nan 8.310 nan 0.000 0.462 80 G N 0.889 109.736 108.800 0.077 0.000 2.476 80 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 80 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 80 G C 1.154 176.120 174.900 0.109 0.000 1.164 80 G CA 1.193 46.336 45.100 0.071 0.000 0.768 80 G HN 0.667 nan 8.290 nan 0.000 0.560 81 Q N 0.449 120.319 119.800 0.116 0.000 2.096 81 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 81 Q C 3.017 179.144 176.000 0.212 0.000 0.982 81 Q CA 1.589 57.489 55.803 0.161 0.000 0.850 81 Q CB -0.781 28.043 28.738 0.143 0.000 0.901 81 Q HN 0.476 nan 8.270 nan 0.000 0.422 82 A N 0.858 123.794 122.820 0.193 0.000 1.933 82 A HA -0.074 4.245 4.320 -0.001 0.000 0.218 82 A C 2.310 180.036 177.584 0.236 0.000 1.175 82 A CA 1.860 54.043 52.037 0.244 0.000 0.628 82 A CB -0.574 18.534 19.000 0.181 0.000 0.814 82 A HN 0.373 nan 8.150 nan 0.000 0.444 83 A N -1.028 121.903 122.820 0.185 0.000 1.873 83 A HA -0.052 4.268 4.320 -0.001 0.000 0.215 83 A C 2.314 180.031 177.584 0.221 0.000 1.186 83 A CA 2.214 54.350 52.037 0.165 0.000 0.616 83 A CB -1.326 17.765 19.000 0.151 0.000 0.823 83 A HN 0.404 nan 8.150 nan 0.000 0.442 84 T N -0.441 114.280 114.554 0.278 0.000 2.635 84 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 84 T C 1.642 176.562 174.700 0.367 0.000 1.040 84 T CA 1.801 64.129 62.100 0.379 0.000 1.156 84 T CB -0.444 68.647 68.868 0.371 0.000 0.863 84 T HN 0.468 nan 8.240 nan 0.000 0.430 85 F N 2.308 122.368 119.950 0.183 0.000 2.102 85 F HA 0.014 4.540 4.527 -0.001 0.000 0.298 85 F C 2.436 178.312 175.800 0.128 0.000 1.105 85 F CA 0.880 58.971 58.000 0.151 0.000 1.239 85 F CB -0.966 38.103 39.000 0.116 0.000 0.991 85 F HN 0.144 nan 8.300 nan 0.000 0.474 86 A N 0.515 123.232 122.820 -0.172 0.000 1.902 86 A HA -0.016 4.304 4.320 -0.001 0.000 0.217 86 A C 2.470 179.957 177.584 -0.162 0.000 1.181 86 A CA 1.862 53.726 52.037 -0.289 0.000 0.623 86 A CB -1.596 17.334 19.000 -0.117 0.000 0.818 86 A HN 0.527 nan 8.150 nan 0.000 0.443 87 A N -0.233 122.604 122.820 0.028 0.000 1.883 87 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 87 A C 2.195 179.920 177.584 0.235 0.000 1.186 87 A CA 1.635 53.797 52.037 0.208 0.000 0.624 87 A CB -0.599 18.613 19.000 0.353 0.000 0.822 87 A HN 0.480 nan 8.150 nan 0.000 0.444 88 L N -1.414 119.904 121.223 0.159 0.000 2.072 88 L HA -0.103 4.236 4.340 -0.001 0.000 0.205 88 L C 2.515 179.399 176.870 0.023 0.000 1.079 88 L CA 0.874 55.789 54.840 0.125 0.000 0.752 88 L CB -0.489 41.648 42.059 0.131 0.000 0.906 88 L HN 0.418 nan 8.230 nan 0.000 0.436 89 L N 0.465 121.603 121.223 -0.142 0.000 2.081 89 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 89 L C 2.522 179.321 176.870 -0.119 0.000 1.080 89 L CA 2.030 56.738 54.840 -0.220 0.000 0.754 89 L CB -0.584 41.128 42.059 -0.577 0.000 0.893 89 L HN 0.175 nan 8.230 nan 0.000 0.433 90 A N -1.924 120.841 122.820 -0.091 0.000 2.119 90 A HA -0.026 4.293 4.320 -0.001 0.000 0.216 90 A C 1.994 179.617 177.584 0.066 0.000 1.152 90 A CA 1.136 53.135 52.037 -0.063 0.000 0.708 90 A CB -0.400 18.487 19.000 -0.189 0.000 0.805 90 A HN 0.395 nan 8.150 nan 0.000 0.460 91 L N -1.100 120.208 121.223 0.141 0.000 2.357 91 L HA 0.382 4.722 4.340 -0.001 0.000 0.211 91 L C 0.606 177.586 176.870 0.184 0.000 1.075 91 L CA 1.021 55.966 54.840 0.175 0.000 0.830 91 L CB -0.237 41.939 42.059 0.196 0.000 0.996 91 L HN 0.260 nan 8.230 nan 0.000 0.467 92 L N -0.614 120.668 121.223 0.098 0.000 2.322 92 L HA 0.480 4.820 4.340 -0.001 0.000 0.269 92 L C -0.099 176.790 176.870 0.031 0.000 1.012 92 L CA -0.685 54.200 54.840 0.076 0.000 0.815 92 L CB 1.633 43.718 42.059 0.043 0.000 1.295 92 L HN -0.078 nan 8.230 nan 0.000 0.438 93 R N 0.939 121.450 120.500 0.019 0.000 2.837 93 R HA 0.475 4.815 4.340 -0.001 0.000 0.271 93 R C -2.666 173.632 176.300 -0.002 0.000 0.993 93 R CA -2.084 54.016 56.100 0.000 0.000 0.931 93 R CB 1.771 32.065 30.300 -0.011 0.000 1.206 93 R HN 0.250 nan 8.270 nan 0.000 0.474 94 P HA 0.023 nan 4.420 nan 0.000 0.264 94 P C 0.577 177.870 177.300 -0.011 0.000 1.193 94 P CA 1.029 64.127 63.100 -0.002 0.000 0.763 94 P CB 0.473 32.173 31.700 0.000 0.000 0.810 95 G N 1.859 110.651 108.800 -0.014 0.000 2.213 95 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.236 95 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.236 95 G C 0.125 175.009 174.900 -0.027 0.000 0.991 95 G CA -0.311 44.777 45.100 -0.020 0.000 0.629 95 G HN 0.486 nan 8.290 nan 0.000 0.517 96 D N 0.862 121.247 120.400 -0.026 0.000 2.361 96 D HA 0.495 5.134 4.640 -0.001 0.000 0.239 96 D C 0.578 176.851 176.300 -0.045 0.000 1.200 96 D CA 0.413 54.395 54.000 -0.031 0.000 0.915 96 D CB 0.897 41.689 40.800 -0.013 0.000 1.170 96 D HN 0.602 nan 8.370 nan 0.000 0.444 97 E N -0.122 120.048 120.200 -0.051 0.000 2.256 97 E HA 0.489 4.839 4.350 -0.001 0.000 0.267 97 E C -1.566 174.982 176.600 -0.086 0.000 0.892 97 E CA -0.793 55.562 56.400 -0.074 0.000 0.775 97 E CB 1.593 31.255 29.700 -0.063 0.000 1.207 97 E HN 0.069 nan 8.360 nan 0.000 0.420 98 V N 3.140 122.964 119.914 -0.149 0.000 2.581 98 V HA 0.323 4.442 4.120 -0.001 0.000 0.303 98 V C -0.397 175.602 176.094 -0.158 0.000 1.041 98 V CA -0.837 61.365 62.300 -0.163 0.000 0.907 98 V CB 1.798 33.422 31.823 -0.331 0.000 0.994 98 V HN 0.555 nan 8.190 nan 0.000 0.442 99 V N 3.929 123.799 119.914 -0.072 0.000 2.328 99 V HA 0.762 4.882 4.120 -0.001 0.000 0.278 99 V C 0.338 176.447 176.094 0.025 0.000 1.021 99 V CA -0.315 61.958 62.300 -0.046 0.000 0.838 99 V CB 1.175 32.997 31.823 -0.002 0.000 0.999 99 V HN 0.994 nan 8.190 nan 0.000 0.447 100 A N 4.274 127.097 122.820 0.005 0.000 2.350 100 A HA 0.915 5.234 4.320 -0.001 0.000 0.324 100 A C 0.300 178.067 177.584 0.305 0.000 1.118 100 A CA -0.327 51.838 52.037 0.212 0.000 0.783 100 A CB 1.342 20.472 19.000 0.217 0.000 1.236 100 A HN 1.257 nan 8.150 nan 0.000 0.457 101 A N 1.459 124.482 122.820 0.338 0.000 2.520 101 A HA 0.264 4.583 4.320 -0.001 0.000 0.235 101 A C 1.025 178.813 177.584 0.340 0.000 1.065 101 A CA 0.457 52.654 52.037 0.267 0.000 0.764 101 A CB -0.001 19.115 19.000 0.194 0.000 1.002 101 A HN 0.904 nan 8.150 nan 0.000 0.502 102 K N 1.620 122.158 120.400 0.231 0.000 2.211 102 K HA -0.061 4.259 4.320 -0.001 0.000 0.203 102 K C 1.629 178.274 176.600 0.076 0.000 1.050 102 K CA 1.231 57.606 56.287 0.147 0.000 0.945 102 K CB -0.006 32.545 32.500 0.085 0.000 0.732 102 K HN 0.804 nan 8.250 nan 0.000 0.451 103 G N 0.845 109.699 108.800 0.090 0.000 3.279 103 G HA2 0.074 4.033 3.960 -0.001 0.000 0.230 103 G HA3 0.074 4.033 3.960 -0.001 0.000 0.230 103 G C 0.206 175.169 174.900 0.104 0.000 1.230 103 G CA -0.188 44.947 45.100 0.058 0.000 0.891 103 G HN 0.023 nan 8.290 nan 0.000 0.518 104 L N -0.306 120.994 121.223 0.128 0.000 2.466 104 L HA 0.328 4.667 4.340 -0.001 0.000 0.257 104 L C 0.737 177.719 176.870 0.187 0.000 1.189 104 L CA -1.147 53.797 54.840 0.173 0.000 0.813 104 L CB 0.558 42.725 42.059 0.180 0.000 1.118 104 L HN 0.128 nan 8.230 nan 0.000 0.471 105 F N 0.868 120.844 119.950 0.043 0.000 2.623 105 F HA -0.033 4.493 4.527 -0.001 0.000 0.386 105 F C 1.340 177.053 175.800 -0.145 0.000 1.068 105 F CA 0.511 58.505 58.000 -0.010 0.000 1.265 105 F CB 0.801 39.828 39.000 0.044 0.000 1.026 105 F HN 0.530 nan 8.300 nan 0.000 0.568 106 G N 4.108 112.390 108.800 -0.863 0.000 2.442 106 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.219 106 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.219 106 G C 1.196 175.787 174.900 -0.515 0.000 1.141 106 G CA 0.581 45.253 45.100 -0.714 0.000 0.763 106 G HN 0.667 nan 8.290 nan 0.000 0.554 107 Q N 0.189 119.606 119.800 -0.639 0.000 2.291 107 Q HA -0.048 4.292 4.340 -0.001 0.000 0.205 107 Q C 2.627 178.585 176.000 -0.070 0.000 0.970 107 Q CA 1.345 57.014 55.803 -0.224 0.000 0.876 107 Q CB -0.610 28.114 28.738 -0.022 0.000 0.935 107 Q HN 0.428 nan 8.270 nan 0.000 0.455 108 T N 1.560 116.112 114.554 -0.003 0.000 2.777 108 T HA -0.021 4.328 4.350 -0.001 0.000 0.266 108 T C 2.045 176.362 174.700 -0.638 0.000 1.040 108 T CA 0.670 62.574 62.100 -0.327 0.000 1.141 108 T CB -0.108 68.589 68.868 -0.286 0.000 0.868 108 T HN 0.178 nan 8.240 nan 0.000 0.444 109 I N 1.227 121.574 120.570 -0.373 0.000 2.226 109 I HA -0.103 4.067 4.170 -0.001 0.000 0.245 109 I C 2.862 178.917 176.117 -0.104 0.000 1.100 109 I CA 1.256 62.430 61.300 -0.211 0.000 1.374 109 I CB -0.684 37.205 38.000 -0.184 0.000 1.057 109 I HN 0.303 nan 8.210 nan 0.000 0.413 110 G N 1.042 109.758 108.800 -0.139 0.000 2.421 110 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.216 110 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.216 110 G C 1.660 176.543 174.900 -0.029 0.000 1.171 110 G CA 0.765 45.816 45.100 -0.081 0.000 0.775 110 G HN 0.277 nan 8.290 nan 0.000 0.543 111 L N -0.275 120.919 121.223 -0.049 0.000 2.042 111 L HA 0.014 4.354 4.340 -0.001 0.000 0.210 111 L C 2.522 179.511 176.870 0.200 0.000 1.076 111 L CA 1.633 56.491 54.840 0.030 0.000 0.749 111 L CB -0.527 41.558 42.059 0.043 0.000 0.893 111 L HN 0.143 nan 8.230 nan 0.000 0.432 112 F N 0.170 120.129 119.950 0.015 0.000 2.102 112 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 112 F C 2.559 178.381 175.800 0.038 0.000 1.105 112 F CA 0.942 58.956 58.000 0.024 0.000 1.239 112 F CB -1.827 37.203 39.000 0.050 0.000 0.991 112 F HN 0.217 nan 8.300 nan 0.000 0.474 113 G N -1.059 107.885 108.800 0.239 0.000 2.408 113 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 113 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 113 G C 1.481 176.429 174.900 0.080 0.000 1.150 113 G CA 0.495 45.679 45.100 0.140 0.000 0.776 113 G HN 0.401 nan 8.290 nan 0.000 0.542 114 Q N -1.116 118.718 119.800 0.057 0.000 2.350 114 Q HA 0.267 4.607 4.340 -0.001 0.000 0.225 114 Q C 2.079 178.085 176.000 0.010 0.000 0.878 114 Q CA 0.058 55.873 55.803 0.020 0.000 0.935 114 Q CB 1.055 29.789 28.738 -0.007 0.000 1.099 114 Q HN 0.381 nan 8.270 nan 0.000 0.527 115 V N -0.475 119.453 119.914 0.023 0.000 2.948 115 V HA -0.039 4.081 4.120 -0.001 0.000 0.234 115 V C 1.518 177.652 176.094 0.067 0.000 1.205 115 V CA 0.328 62.627 62.300 -0.003 0.000 1.234 115 V CB 0.080 31.829 31.823 -0.123 0.000 1.020 115 V HN 0.128 nan 8.190 nan 0.000 0.491 116 L N 1.665 122.959 121.223 0.118 0.000 2.191 116 L HA -0.111 4.229 4.340 -0.001 0.000 0.212 116 L C 2.728 179.631 176.870 0.055 0.000 1.103 116 L CA 2.129 57.032 54.840 0.105 0.000 0.769 116 L CB -0.853 41.240 42.059 0.057 0.000 0.908 116 L HN 0.558 nan 8.230 nan 0.000 0.438 117 S N -0.808 114.924 115.700 0.054 0.000 2.370 117 S HA -0.211 4.259 4.470 -0.001 0.000 0.226 117 S C 1.997 176.616 174.600 0.032 0.000 1.033 117 S CA 1.249 59.470 58.200 0.036 0.000 1.011 117 S CB -0.877 62.346 63.200 0.039 0.000 0.852 117 S HN 0.438 nan 8.310 nan 0.000 0.457 118 L N 0.129 121.374 121.223 0.037 0.000 2.201 118 L HA 0.069 4.408 4.340 -0.001 0.000 0.212 118 L C 2.431 179.329 176.870 0.047 0.000 1.105 118 L CA 1.171 56.033 54.840 0.036 0.000 0.775 118 L CB -0.597 41.481 42.059 0.031 0.000 0.913 118 L HN 0.360 nan 8.230 nan 0.000 0.440 119 M N -0.685 118.954 119.600 0.064 0.000 2.563 119 M HA 0.189 4.669 4.480 -0.001 0.000 0.231 119 M C 1.256 177.577 176.300 0.034 0.000 1.136 119 M CA 0.637 55.976 55.300 0.064 0.000 1.026 119 M CB 0.229 32.888 32.600 0.097 0.000 1.597 119 M HN 0.310 nan 8.290 nan 0.000 0.495 120 G N 0.730 109.544 108.800 0.024 0.000 2.143 120 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.248 120 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.248 120 G C -0.088 174.809 174.900 -0.004 0.000 0.991 120 G CA -0.180 44.925 45.100 0.009 0.000 0.689 120 G HN 0.344 nan 8.290 nan 0.000 0.522 121 V N 1.215 121.123 119.914 -0.010 0.000 2.547 121 V HA 0.803 4.923 4.120 -0.001 0.000 0.299 121 V C 0.800 176.862 176.094 -0.053 0.000 1.040 121 V CA 0.157 62.433 62.300 -0.039 0.000 0.913 121 V CB 1.870 33.658 31.823 -0.057 0.000 0.992 121 V HN 0.725 nan 8.190 nan 0.000 0.449 122 T N 1.476 115.987 114.554 -0.071 0.000 2.888 122 T HA 0.794 5.143 4.350 -0.001 0.000 0.284 122 T C -0.754 173.863 174.700 -0.139 0.000 1.017 122 T CA -0.711 61.346 62.100 -0.073 0.000 1.022 122 T CB 1.721 70.560 68.868 -0.049 0.000 1.013 122 T HN 0.314 nan 8.240 nan 0.000 0.465 123 V N 2.672 122.485 119.914 -0.168 0.000 2.495 123 V HA 0.533 4.653 4.120 -0.001 0.000 0.298 123 V C 0.112 176.009 176.094 -0.329 0.000 1.031 123 V CA -1.045 61.057 62.300 -0.329 0.000 0.871 123 V CB 1.662 33.193 31.823 -0.487 0.000 0.988 123 V HN 0.836 nan 8.190 nan 0.000 0.432 124 R N 3.352 123.673 120.500 -0.299 0.000 2.255 124 R HA 0.480 4.820 4.340 -0.001 0.000 0.326 124 R C -1.544 174.630 176.300 -0.211 0.000 0.986 124 R CA -0.531 55.464 56.100 -0.176 0.000 0.847 124 R CB 1.349 31.607 30.300 -0.071 0.000 1.111 124 R HN 0.607 nan 8.270 nan 0.000 0.452 125 Y N 2.030 122.368 120.300 0.065 0.000 2.313 125 Y HA 0.324 4.874 4.550 -0.000 0.000 0.332 125 Y C 0.738 176.676 175.900 0.063 0.000 1.071 125 Y CA -0.490 57.659 58.100 0.082 0.000 1.169 125 Y CB 1.505 40.016 38.460 0.086 0.000 1.192 125 Y HN 0.295 nan 8.280 nan 0.000 0.487 126 V N -0.983 119.056 119.914 0.210 0.000 3.159 126 V HA 0.516 4.636 4.120 -0.001 0.000 0.308 126 V C -0.877 175.285 176.094 0.113 0.000 1.190 126 V CA -1.358 61.018 62.300 0.128 0.000 1.037 126 V CB 1.993 33.865 31.823 0.082 0.000 1.060 126 V HN 0.603 nan 8.190 nan 0.000 0.437 127 D N 3.025 123.470 120.400 0.075 0.000 2.487 127 D HA 0.248 4.888 4.640 -0.001 0.000 0.243 127 D C -2.085 174.243 176.300 0.047 0.000 1.154 127 D CA -1.049 52.983 54.000 0.054 0.000 0.876 127 D CB 1.138 41.959 40.800 0.034 0.000 1.161 127 D HN 0.580 nan 8.370 nan 0.000 0.478 128 P HA 0.081 nan 4.420 nan 0.000 0.235 128 P C -0.834 176.461 177.300 -0.007 0.000 1.765 128 P CA 0.227 63.341 63.100 0.023 0.000 1.034 128 P CB -0.037 31.671 31.700 0.013 0.000 1.984 129 E N 2.350 122.551 120.200 0.002 0.000 2.308 129 E HA 0.249 4.599 4.350 -0.001 0.000 0.275 129 E C -2.356 174.243 176.600 -0.001 0.000 0.890 129 E CA -2.540 53.856 56.400 -0.006 0.000 0.754 129 E CB 2.339 32.039 29.700 -0.000 0.000 1.207 129 E HN -0.138 nan 8.360 nan 0.000 0.426 130 P HA -0.194 nan 4.420 nan 0.000 0.216 130 P C 0.927 178.230 177.300 0.005 0.000 1.157 130 P CA 1.525 64.624 63.100 -0.001 0.000 0.880 130 P CB 0.440 32.139 31.700 -0.001 0.000 0.791 131 E N -0.634 119.569 120.200 0.005 0.000 2.107 131 E HA -0.076 4.273 4.350 -0.001 0.000 0.191 131 E C 1.992 178.598 176.600 0.010 0.000 0.982 131 E CA 1.222 57.626 56.400 0.007 0.000 0.809 131 E CB -1.012 28.692 29.700 0.006 0.000 0.756 131 E HN 0.056 nan 8.360 nan 0.000 0.459 132 A N -0.028 122.800 122.820 0.013 0.000 1.933 132 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 132 A C 2.422 180.019 177.584 0.021 0.000 1.175 132 A CA 1.474 53.523 52.037 0.020 0.000 0.628 132 A CB -0.667 18.349 19.000 0.026 0.000 0.814 132 A HN 0.198 nan 8.150 nan 0.000 0.444 133 V N -0.039 119.887 119.914 0.020 0.000 2.244 133 V HA -0.271 3.848 4.120 -0.001 0.000 0.244 133 V C 2.572 178.674 176.094 0.013 0.000 1.042 133 V CA 2.258 64.570 62.300 0.020 0.000 1.006 133 V CB -0.813 31.022 31.823 0.020 0.000 0.641 133 V HN 0.699 nan 8.190 nan 0.000 0.446 134 R N 0.315 120.821 120.500 0.009 0.000 2.162 134 R HA -0.297 4.043 4.340 -0.001 0.000 0.245 134 R C 2.143 178.446 176.300 0.004 0.000 1.129 134 R CA 2.677 58.780 56.100 0.005 0.000 0.940 134 R CB -0.358 29.945 30.300 0.004 0.000 0.875 134 R HN 0.651 nan 8.270 nan 0.000 0.437 135 E N -1.043 119.161 120.200 0.006 0.000 2.418 135 E HA -0.071 4.278 4.350 -0.001 0.000 0.197 135 E C 1.432 178.036 176.600 0.006 0.000 1.026 135 E CA 0.624 57.028 56.400 0.006 0.000 0.862 135 E CB 0.192 29.897 29.700 0.008 0.000 0.799 135 E HN 0.499 nan 8.360 nan 0.000 0.518 136 A N 0.786 123.610 122.820 0.007 0.000 2.195 136 A HA 0.111 4.431 4.320 -0.001 0.000 0.210 136 A C 0.943 178.525 177.584 -0.005 0.000 1.165 136 A CA -0.190 51.849 52.037 0.004 0.000 0.806 136 A CB -0.052 18.953 19.000 0.008 0.000 0.847 136 A HN 0.077 nan 8.150 nan 0.000 0.482 137 L N 1.579 122.799 121.223 -0.004 0.000 2.514 137 L HA 0.175 4.515 4.340 -0.001 0.000 0.280 137 L C 0.881 177.742 176.870 -0.016 0.000 1.223 137 L CA 0.205 55.039 54.840 -0.010 0.000 0.864 137 L CB 0.442 42.495 42.059 -0.009 0.000 1.118 137 L HN 0.481 nan 8.230 nan 0.000 0.494 138 S N 1.492 117.178 115.700 -0.022 0.000 2.732 138 S HA 0.624 5.093 4.470 -0.001 0.000 0.293 138 S C 0.594 175.174 174.600 -0.033 0.000 1.159 138 S CA -0.202 57.983 58.200 -0.025 0.000 0.847 138 S CB 1.598 64.783 63.200 -0.025 0.000 1.169 138 S HN 0.604 nan 8.310 nan 0.000 0.501 139 A N 0.659 123.458 122.820 -0.035 0.000 2.076 139 A HA 0.029 4.349 4.320 -0.001 0.000 0.220 139 A C 1.701 179.252 177.584 -0.054 0.000 1.160 139 A CA 1.173 53.183 52.037 -0.045 0.000 0.653 139 A CB -0.582 18.394 19.000 -0.040 0.000 0.801 139 A HN 0.608 nan 8.150 nan 0.000 0.455 140 K N 0.086 120.457 120.400 -0.047 0.000 2.374 140 K HA 0.085 4.405 4.320 -0.001 0.000 0.196 140 K C -0.012 176.558 176.600 -0.050 0.000 1.023 140 K CA 0.185 56.441 56.287 -0.051 0.000 1.103 140 K CB -0.211 32.264 32.500 -0.042 0.000 0.848 140 K HN 0.373 nan 8.250 nan 0.000 0.528 141 T N 2.185 116.712 114.554 -0.045 0.000 2.853 141 T HA 0.114 4.463 4.350 -0.001 0.000 0.298 141 T C 1.090 175.774 174.700 -0.027 0.000 0.978 141 T CA 0.104 62.184 62.100 -0.032 0.000 1.152 141 T CB 0.974 69.829 68.868 -0.023 0.000 0.914 141 T HN -0.069 nan 8.240 nan 0.000 0.539 142 R N 0.898 121.404 120.500 0.010 0.000 2.509 142 R HA 0.532 4.871 4.340 -0.001 0.000 0.297 142 R C 0.020 176.431 176.300 0.186 0.000 0.951 142 R CA -0.104 56.044 56.100 0.080 0.000 1.103 142 R CB 0.600 30.961 30.300 0.102 0.000 1.283 142 R HN 0.723 nan 8.270 nan 0.000 0.534 143 A N -0.153 122.734 122.820 0.111 0.000 2.582 143 A HA 0.535 4.855 4.320 -0.001 0.000 0.297 143 A C -1.464 176.183 177.584 0.105 0.000 1.059 143 A CA -0.483 51.635 52.037 0.135 0.000 0.705 143 A CB 1.539 20.633 19.000 0.157 0.000 1.279 143 A HN -0.107 nan 8.150 nan 0.000 0.404 144 V N 1.996 121.987 119.914 0.129 0.000 2.378 144 V HA 0.525 4.645 4.120 -0.001 0.000 0.288 144 V C -0.934 175.281 176.094 0.200 0.000 1.016 144 V CA -0.202 62.173 62.300 0.126 0.000 0.840 144 V CB 1.149 33.022 31.823 0.083 0.000 0.994 144 V HN 0.786 nan 8.190 nan 0.000 0.431 145 F N 6.914 126.910 119.950 0.078 0.000 2.402 145 F HA 0.741 5.268 4.527 -0.001 0.000 0.355 145 F C -0.075 175.813 175.800 0.146 0.000 1.123 145 F CA -0.438 57.647 58.000 0.142 0.000 1.021 145 F CB 1.394 40.529 39.000 0.226 0.000 1.160 145 F HN 0.420 nan 8.300 nan 0.000 0.451 146 V N 1.807 121.676 119.914 -0.075 0.000 3.158 146 V HA 0.646 4.765 4.120 -0.001 0.000 0.311 146 V C -1.046 174.929 176.094 -0.198 0.000 1.181 146 V CA -0.894 61.394 62.300 -0.020 0.000 1.054 146 V CB 1.972 33.767 31.823 -0.047 0.000 1.085 146 V HN 0.707 nan 8.190 nan 0.000 0.446 147 E N 0.194 120.346 120.200 -0.080 0.000 2.195 147 E HA 0.422 4.771 4.350 -0.001 0.000 0.271 147 E C 0.441 176.959 176.600 -0.137 0.000 0.923 147 E CA -0.315 56.023 56.400 -0.105 0.000 0.790 147 E CB 2.119 31.785 29.700 -0.057 0.000 1.155 147 E HN 0.814 nan 8.360 nan 0.000 0.402 148 T N 0.537 115.016 114.554 -0.126 0.000 2.653 148 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 148 T C 0.631 175.241 174.700 -0.150 0.000 1.035 148 T CA 0.933 62.956 62.100 -0.129 0.000 1.154 148 T CB 0.107 68.939 68.868 -0.060 0.000 0.862 148 T HN 0.156 nan 8.240 nan 0.000 0.441 149 V N 0.906 120.700 119.914 -0.200 0.000 2.525 149 V HA 0.671 4.791 4.120 -0.001 0.000 0.299 149 V C -0.076 175.759 176.094 -0.431 0.000 1.034 149 V CA -1.658 60.489 62.300 -0.256 0.000 0.863 149 V CB 1.386 33.112 31.823 -0.161 0.000 0.999 149 V HN 0.420 nan 8.190 nan 0.000 0.423 150 A N 4.195 126.856 122.820 -0.265 0.000 2.511 150 A HA 0.323 4.642 4.320 -0.001 0.000 0.242 150 A C 0.306 177.706 177.584 -0.308 0.000 1.069 150 A CA 0.173 52.074 52.037 -0.225 0.000 0.763 150 A CB -0.004 18.940 19.000 -0.094 0.000 1.001 150 A HN 0.872 nan 8.150 nan 0.000 0.498 151 N N 3.378 121.921 118.700 -0.262 0.000 2.407 151 N HA 0.376 5.116 4.740 -0.001 0.000 0.277 151 N C -2.495 173.097 175.510 0.136 0.000 0.995 151 N CA -1.666 51.321 53.050 -0.104 0.000 0.903 151 N CB 2.207 40.670 38.487 -0.040 0.000 1.218 151 N HN 0.322 nan 8.380 nan 0.000 0.487 152 P HA 0.180 nan 4.420 nan 0.000 0.261 152 P C 0.655 177.985 177.300 0.049 0.000 1.352 152 P CA 0.030 63.202 63.100 0.121 0.000 0.891 152 P CB 0.226 32.005 31.700 0.132 0.000 1.383 153 A N 0.603 123.421 122.820 -0.002 0.000 2.121 153 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 153 A C 1.262 178.843 177.584 -0.006 0.000 1.154 153 A CA 0.365 52.397 52.037 -0.009 0.000 0.679 153 A CB -1.235 17.752 19.000 -0.021 0.000 0.795 153 A HN 0.228 nan 8.150 nan 0.000 0.458 154 L N -1.553 119.659 121.223 -0.017 0.000 3.762 154 L HA -0.201 4.138 4.340 -0.001 0.000 0.460 154 L C -0.775 176.070 176.870 -0.042 0.000 1.255 154 L CA -0.154 54.674 54.840 -0.021 0.000 0.783 154 L CB -1.777 40.301 42.059 0.032 0.000 1.600 154 L HN 0.363 nan 8.230 nan 0.000 0.862 155 L N -0.115 121.071 121.223 -0.061 0.000 2.317 155 L HA 0.643 4.982 4.340 -0.001 0.000 0.281 155 L C 0.204 177.024 176.870 -0.084 0.000 1.024 155 L CA -0.845 53.961 54.840 -0.057 0.000 0.810 155 L CB 2.072 44.106 42.059 -0.042 0.000 1.240 155 L HN -0.140 nan 8.230 nan 0.000 0.427 156 V N 3.576 123.441 119.914 -0.082 0.000 2.347 156 V HA 0.321 4.440 4.120 -0.001 0.000 0.280 156 V C -2.068 173.953 176.094 -0.122 0.000 1.021 156 V CA -1.727 60.508 62.300 -0.108 0.000 0.847 156 V CB 1.157 32.931 31.823 -0.082 0.000 0.990 156 V HN 0.583 nan 8.190 nan 0.000 0.444 157 P HA 0.092 nan 4.420 nan 0.000 0.272 157 P C -0.400 176.713 177.300 -0.311 0.000 1.230 157 P CA -0.289 62.697 63.100 -0.191 0.000 0.788 157 P CB 0.520 32.103 31.700 -0.195 0.000 0.949 158 D N 1.825 122.097 120.400 -0.213 0.000 2.508 158 D HA 0.041 4.681 4.640 -0.001 0.000 0.224 158 D C 1.081 177.164 176.300 -0.361 0.000 1.171 158 D CA 0.170 54.062 54.000 -0.179 0.000 1.006 158 D CB -0.534 40.254 40.800 -0.021 0.000 1.073 158 D HN 0.202 nan 8.370 nan 0.000 0.513 159 L N 1.781 122.451 121.223 -0.922 0.000 2.042 159 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 159 L C 2.327 179.056 176.870 -0.236 0.000 1.076 159 L CA 1.120 55.587 54.840 -0.622 0.000 0.749 159 L CB -0.264 41.295 42.059 -0.833 0.000 0.893 159 L HN 0.403 nan 8.230 nan 0.000 0.432 160 E N 0.434 120.589 120.200 -0.075 0.000 2.072 160 E HA -0.230 4.119 4.350 -0.001 0.000 0.191 160 E C 2.225 178.871 176.600 0.077 0.000 0.985 160 E CA 1.196 57.700 56.400 0.174 0.000 0.801 160 E CB -0.005 29.906 29.700 0.351 0.000 0.750 160 E HN 0.442 nan 8.360 nan 0.000 0.452 161 A N 0.849 123.694 122.820 0.043 0.000 1.930 161 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 161 A C 2.175 179.757 177.584 -0.004 0.000 1.175 161 A CA 0.868 52.918 52.037 0.021 0.000 0.627 161 A CB -0.545 18.465 19.000 0.017 0.000 0.815 161 A HN 0.303 nan 8.150 nan 0.000 0.443 162 L N -0.718 120.484 121.223 -0.036 0.000 2.083 162 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 162 L C 3.057 179.916 176.870 -0.017 0.000 1.083 162 L CA 1.101 55.921 54.840 -0.033 0.000 0.752 162 L CB -0.521 41.500 42.059 -0.063 0.000 0.899 162 L HN 0.430 nan 8.230 nan 0.000 0.433 163 A N -0.441 122.363 122.820 -0.028 0.000 1.898 163 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 163 A C 2.374 179.950 177.584 -0.013 0.000 1.181 163 A CA 2.131 54.143 52.037 -0.042 0.000 0.620 163 A CB -0.884 18.078 19.000 -0.063 0.000 0.819 163 A HN 0.370 nan 8.150 nan 0.000 0.442 164 T N 0.360 114.917 114.554 0.006 0.000 2.684 164 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 164 T C 1.846 176.556 174.700 0.016 0.000 1.036 164 T CA 1.659 63.767 62.100 0.014 0.000 1.148 164 T CB -0.432 68.449 68.868 0.022 0.000 0.863 164 T HN 0.359 nan 8.240 nan 0.000 0.436 165 L N 1.491 122.723 121.223 0.015 0.000 2.017 165 L HA 0.067 4.406 4.340 -0.001 0.000 0.208 165 L C 2.617 179.503 176.870 0.025 0.000 1.073 165 L CA 2.028 56.877 54.840 0.015 0.000 0.745 165 L CB -1.140 40.925 42.059 0.011 0.000 0.894 165 L HN 0.215 nan 8.230 nan 0.000 0.432 166 A N -0.634 122.213 122.820 0.045 0.000 1.883 166 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 166 A C 2.157 179.792 177.584 0.085 0.000 1.186 166 A CA 1.963 54.046 52.037 0.076 0.000 0.624 166 A CB -0.776 18.306 19.000 0.136 0.000 0.822 166 A HN 0.624 nan 8.150 nan 0.000 0.444 167 E N -0.257 120.014 120.200 0.119 0.000 2.038 167 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 167 E C 2.050 178.661 176.600 0.018 0.000 1.000 167 E CA 1.563 58.018 56.400 0.093 0.000 0.803 167 E CB -0.244 29.493 29.700 0.062 0.000 0.750 167 E HN 0.742 nan 8.360 nan 0.000 0.448 168 E N 0.404 120.611 120.200 0.012 0.000 2.085 168 E HA -0.209 4.140 4.350 -0.001 0.000 0.194 168 E C 1.982 178.573 176.600 -0.015 0.000 0.994 168 E CA 1.028 57.425 56.400 -0.005 0.000 0.801 168 E CB -0.172 29.527 29.700 -0.002 0.000 0.743 168 E HN 0.246 nan 8.360 nan 0.000 0.453 169 A N 0.403 123.217 122.820 -0.011 0.000 2.168 169 A HA 0.132 4.451 4.320 -0.001 0.000 0.215 169 A C 1.775 179.332 177.584 -0.045 0.000 1.152 169 A CA 0.946 52.969 52.037 -0.024 0.000 0.716 169 A CB -0.471 18.521 19.000 -0.013 0.000 0.794 169 A HN 0.363 nan 8.150 nan 0.000 0.465 170 G N -1.208 107.560 108.800 -0.053 0.000 2.160 170 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.244 170 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.244 170 G C 0.208 175.064 174.900 -0.073 0.000 1.022 170 G CA 0.723 45.772 45.100 -0.086 0.000 0.741 170 G HN 1.864 nan 8.290 nan 0.000 0.508 171 V N -3.468 116.420 119.914 -0.044 0.000 3.001 171 V HA 0.982 5.101 4.120 -0.001 0.000 0.314 171 V C 0.410 176.469 176.094 -0.058 0.000 1.099 171 V CA -0.700 61.616 62.300 0.027 0.000 0.989 171 V CB 1.848 33.698 31.823 0.045 0.000 1.040 171 V HN 1.798 nan 8.190 nan 0.000 0.434 172 A N 2.969 125.786 122.820 -0.004 0.000 2.409 172 A HA 0.675 4.994 4.320 -0.001 0.000 0.262 172 A C -0.445 177.231 177.584 0.153 0.000 1.113 172 A CA -0.327 51.649 52.037 -0.101 0.000 0.790 172 A CB 0.476 19.476 19.000 -0.001 0.000 1.046 172 A HN 1.416 nan 8.150 nan 0.000 0.496 173 L N 4.357 125.788 121.223 0.347 0.000 2.261 173 L HA 0.485 4.824 4.340 -0.001 0.000 0.289 173 L C -0.527 176.406 176.870 0.105 0.000 1.059 173 L CA 0.169 55.106 54.840 0.162 0.000 0.816 173 L CB 0.923 43.029 42.059 0.078 0.000 1.191 173 L HN 0.377 nan 8.230 nan 0.000 0.431 174 V N 6.270 126.217 119.914 0.056 0.000 2.370 174 V HA 0.451 4.571 4.120 -0.001 0.000 0.279 174 V C -0.185 175.743 176.094 -0.276 0.000 1.029 174 V CA -0.642 61.646 62.300 -0.020 0.000 0.870 174 V CB 1.549 33.455 31.823 0.138 0.000 0.984 174 V HN 0.492 nan 8.190 nan 0.000 0.451 175 V N 3.722 123.494 119.914 -0.236 0.000 2.409 175 V HA 0.317 4.437 4.120 -0.001 0.000 0.291 175 V C -0.047 175.876 176.094 -0.286 0.000 1.020 175 V CA -0.648 61.475 62.300 -0.293 0.000 0.848 175 V CB 1.802 33.534 31.823 -0.153 0.000 0.990 175 V HN 0.869 nan 8.190 nan 0.000 0.430 176 D N 4.049 124.198 120.400 -0.420 0.000 2.348 176 D HA 0.006 4.645 4.640 -0.001 0.000 0.259 176 D C 0.572 176.851 176.300 -0.034 0.000 1.296 176 D CA 0.317 54.229 54.000 -0.146 0.000 0.931 176 D CB 0.442 41.218 40.800 -0.040 0.000 1.067 176 D HN 0.554 nan 8.370 nan 0.000 0.503 177 N N 2.232 120.946 118.700 0.023 0.000 2.327 177 N HA 0.030 4.769 4.740 -0.001 0.000 0.231 177 N C 1.024 176.608 175.510 0.123 0.000 1.130 177 N CA -0.084 52.999 53.050 0.055 0.000 0.845 177 N CB 0.307 38.824 38.487 0.050 0.000 1.073 177 N HN 0.199 nan 8.380 nan 0.000 0.496 178 T N -0.275 114.389 114.554 0.183 0.000 2.665 178 T HA -0.147 4.202 4.350 -0.001 0.000 0.268 178 T C 1.020 175.935 174.700 0.358 0.000 1.035 178 T CA 1.348 63.620 62.100 0.286 0.000 1.151 178 T CB -0.330 68.716 68.868 0.296 0.000 0.862 178 T HN 0.262 nan 8.240 nan 0.000 0.438 179 F N 1.086 121.049 119.950 0.022 0.000 2.502 179 F HA 0.219 4.745 4.527 -0.001 0.000 0.298 179 F C 2.398 177.967 175.800 -0.385 0.000 1.111 179 F CA 0.078 57.906 58.000 -0.287 0.000 1.445 179 F CB -0.659 38.244 39.000 -0.161 0.000 1.081 179 F HN 0.221 nan 8.300 nan 0.000 0.558 180 G N -0.773 108.012 108.800 -0.026 0.000 2.985 180 G HA2 0.284 4.244 3.960 -0.001 0.000 0.209 180 G HA3 0.284 4.244 3.960 -0.001 0.000 0.209 180 G C 0.841 175.677 174.900 -0.106 0.000 1.165 180 G CA 0.225 45.277 45.100 -0.080 0.000 0.776 180 G HN 0.402 nan 8.290 nan 0.000 0.541 181 A N -0.949 121.818 122.820 -0.088 0.000 2.648 181 A HA 0.257 4.577 4.320 -0.001 0.000 0.297 181 A C 1.534 179.158 177.584 0.067 0.000 1.467 181 A CA 1.238 53.261 52.037 -0.023 0.000 0.731 181 A CB -1.903 16.968 19.000 -0.214 0.000 1.085 181 A HN 2.385 nan 8.150 nan 0.000 0.437 182 A N -0.374 122.517 122.820 0.117 0.000 2.799 182 A HA 0.313 4.632 4.320 -0.001 0.000 0.287 182 A C 1.691 179.406 177.584 0.218 0.000 1.484 182 A CA 1.769 53.902 52.037 0.160 0.000 0.813 182 A CB -1.946 17.161 19.000 0.179 0.000 1.009 182 A HN 3.213 nan 8.150 nan 0.000 0.545 183 G N -3.109 105.768 108.800 0.127 0.000 2.213 183 G HA2 0.086 4.045 3.960 -0.001 0.000 0.236 183 G HA3 0.086 4.045 3.960 -0.001 0.000 0.236 183 G C 1.465 176.293 174.900 -0.120 0.000 0.991 183 G CA 1.213 46.392 45.100 0.133 0.000 0.629 183 G HN 2.235 nan 8.290 nan 0.000 0.517 184 A N -0.609 122.013 122.820 -0.330 0.000 1.969 184 A HA 0.473 4.792 4.320 -0.001 0.000 0.218 184 A C 2.261 179.609 177.584 -0.393 0.000 1.169 184 A CA 2.238 53.820 52.037 -0.759 0.000 0.635 184 A CB -0.137 18.512 19.000 -0.585 0.000 0.810 184 A HN 1.207 nan 8.150 nan 0.000 0.445 185 L N -2.735 118.346 121.223 -0.238 0.000 2.467 185 L HA 0.363 4.703 4.340 -0.001 0.000 0.213 185 L C 0.458 177.281 176.870 -0.079 0.000 1.053 185 L CA 0.829 55.565 54.840 -0.174 0.000 0.847 185 L CB 0.709 42.634 42.059 -0.222 0.000 1.075 185 L HN 0.415 nan 8.230 nan 0.000 0.479 186 C N -0.109 119.169 119.300 -0.036 0.000 2.880 186 C HA 0.569 5.029 4.460 -0.001 0.000 0.320 186 C C -0.695 174.357 174.990 0.104 0.000 1.176 186 C CA -0.787 58.275 59.018 0.073 0.000 1.390 186 C CB 1.449 29.224 27.740 0.058 0.000 1.846 186 C HN 0.398 nan 8.230 nan 0.000 0.478 187 R N 4.029 124.644 120.500 0.191 0.000 2.477 187 R HA 0.256 4.596 4.340 -0.001 0.000 0.285 187 R C -2.154 174.287 176.300 0.236 0.000 1.415 187 R CA -1.290 54.902 56.100 0.154 0.000 1.446 187 R CB 1.263 31.612 30.300 0.082 0.000 1.110 187 R HN 0.507 nan 8.270 nan 0.000 0.590 188 P HA -0.191 nan 4.420 nan 0.000 0.217 188 P C 0.959 178.352 177.300 0.155 0.000 1.148 188 P CA 1.226 64.457 63.100 0.219 0.000 0.828 188 P CB 0.267 32.004 31.700 0.062 0.000 0.783 189 L N -1.282 119.985 121.223 0.074 0.000 2.127 189 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 189 L C 2.365 179.213 176.870 -0.036 0.000 1.089 189 L CA 1.469 56.319 54.840 0.018 0.000 0.757 189 L CB -1.198 40.876 42.059 0.025 0.000 0.899 189 L HN -0.032 nan 8.230 nan 0.000 0.434 190 A N -1.016 121.747 122.820 -0.095 0.000 2.121 190 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 190 A C 1.626 178.957 177.584 -0.422 0.000 1.154 190 A CA 0.889 52.749 52.037 -0.296 0.000 0.679 190 A CB -0.667 18.070 19.000 -0.438 0.000 0.795 190 A HN 0.599 nan 8.150 nan 0.000 0.458 191 W N -1.873 119.428 121.300 0.002 0.000 3.220 191 W HA 0.413 5.072 4.660 -0.001 0.000 0.328 191 W C 1.517 178.011 176.519 -0.042 0.000 1.205 191 W CA 0.563 57.921 57.345 0.022 0.000 1.773 191 W CB 0.555 30.065 29.460 0.084 0.000 1.086 191 W HN 0.475 nan 8.180 nan 0.000 0.622 192 G N -0.085 108.749 108.800 0.057 0.000 2.192 192 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.193 192 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.193 192 G C 0.483 175.241 174.900 -0.238 0.000 0.999 192 G CA -0.533 44.512 45.100 -0.092 0.000 0.659 192 G HN 0.399 nan 8.290 nan 0.000 0.503 193 A N 0.519 123.263 122.820 -0.126 0.000 2.561 193 A HA 0.442 4.762 4.320 -0.001 0.000 0.234 193 A C 1.265 178.708 177.584 -0.235 0.000 1.055 193 A CA 1.134 53.073 52.037 -0.162 0.000 0.756 193 A CB -0.013 18.959 19.000 -0.047 0.000 0.986 193 A HN 0.493 nan 8.150 nan 0.000 0.505 194 H N 0.926 119.973 119.070 -0.039 0.000 2.415 194 H HA 0.130 4.686 4.556 -0.000 0.000 0.297 194 H C -0.017 175.343 175.328 0.054 0.000 1.048 194 H CA 1.432 57.452 56.048 -0.047 0.000 1.365 194 H CB 0.168 29.813 29.762 -0.195 0.000 1.421 194 H HN 0.351 nan 8.280 nan 0.000 0.533 195 V N 1.632 121.635 119.914 0.148 0.000 2.709 195 V HA 0.269 4.388 4.120 -0.001 0.000 0.308 195 V C -0.277 175.874 176.094 0.095 0.000 1.062 195 V CA -0.761 61.619 62.300 0.133 0.000 0.901 195 V CB 3.008 34.876 31.823 0.075 0.000 1.003 195 V HN -0.132 nan 8.190 nan 0.000 0.425 196 V N 4.785 124.769 119.914 0.117 0.000 2.513 196 V HA 0.679 4.799 4.120 -0.001 0.000 0.299 196 V C -0.235 175.931 176.094 0.120 0.000 1.035 196 V CA -0.475 61.873 62.300 0.079 0.000 0.889 196 V CB 2.168 34.036 31.823 0.076 0.000 0.988 196 V HN 0.794 nan 8.190 nan 0.000 0.440 197 V N 2.453 122.428 119.914 0.102 0.000 2.919 197 V HA 0.989 5.109 4.120 -0.001 0.000 0.316 197 V C -0.766 175.399 176.094 0.119 0.000 1.077 197 V CA -0.540 61.848 62.300 0.146 0.000 0.977 197 V CB 1.941 33.900 31.823 0.226 0.000 1.039 197 V HN 1.058 nan 8.190 nan 0.000 0.441 198 E N 0.877 121.152 120.200 0.124 0.000 2.396 198 E HA 0.404 4.753 4.350 -0.001 0.000 0.280 198 E C -1.418 175.242 176.600 0.099 0.000 1.065 198 E CA -0.709 55.758 56.400 0.113 0.000 0.831 198 E CB 1.647 31.419 29.700 0.120 0.000 1.272 198 E HN 0.773 nan 8.360 nan 0.000 0.443 199 S N 1.701 117.447 115.700 0.076 0.000 2.416 199 S HA 0.227 4.696 4.470 -0.001 0.000 0.287 199 S C 0.818 175.466 174.600 0.080 0.000 1.139 199 S CA -0.630 57.599 58.200 0.049 0.000 1.058 199 S CB -0.024 63.162 63.200 -0.024 0.000 0.967 199 S HN 0.553 nan 8.310 nan 0.000 0.495 200 L N 4.139 125.412 121.223 0.083 0.000 2.465 200 L HA 0.016 4.355 4.340 -0.001 0.000 0.224 200 L C 1.516 178.422 176.870 0.061 0.000 1.145 200 L CA 0.213 55.106 54.840 0.090 0.000 0.834 200 L CB -0.923 41.193 42.059 0.094 0.000 0.944 200 L HN 0.574 nan 8.230 nan 0.000 0.451 204 A N 0.791 123.725 122.820 0.189 0.000 1.877 204 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 204 A C 2.064 179.692 177.584 0.073 0.000 1.186 204 A CA 2.881 54.997 52.037 0.131 0.000 0.620 204 A CB -0.962 18.113 19.000 0.125 0.000 0.822 204 A HN 0.128 nan 8.150 nan 0.000 0.443 205 S N -1.627 114.102 115.700 0.048 0.000 2.345 205 S HA 0.190 4.660 4.470 -0.001 0.000 0.220 205 S C 1.750 176.333 174.600 -0.029 0.000 1.031 205 S CA 2.098 60.326 58.200 0.047 0.000 0.996 205 S CB -0.602 62.624 63.200 0.043 0.000 0.882 205 S HN 1.950 nan 8.310 nan 0.000 0.445 206 G N -0.215 108.505 108.800 -0.133 0.000 2.212 206 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.266 206 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.266 206 G C 0.428 175.007 174.900 -0.536 0.000 0.978 206 G CA 0.887 45.785 45.100 -0.335 0.000 0.632 206 G HN 0.728 nan 8.290 nan 0.000 0.537 207 H N -0.714 118.344 119.070 -0.020 0.000 2.916 207 H HA 0.449 5.004 4.556 -0.001 0.000 0.262 207 H C 1.648 176.964 175.328 -0.019 0.000 1.178 207 H CA 0.247 56.288 56.048 -0.011 0.000 1.090 207 H CB 0.749 30.517 29.762 0.011 0.000 1.657 207 H HN 1.112 nan 8.280 nan 0.000 0.601 208 G N 1.650 110.461 108.800 0.018 0.000 2.395 208 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.300 208 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.300 208 G C 0.915 175.840 174.900 0.041 0.000 0.998 208 G CA 0.933 46.033 45.100 0.001 0.000 1.046 208 G HN 0.558 nan 8.290 nan 0.000 0.513 209 S N -1.901 113.839 115.700 0.066 0.000 2.826 209 S HA 0.641 5.110 4.470 -0.001 0.000 0.193 209 S C 1.023 175.660 174.600 0.062 0.000 0.838 209 S CA 1.011 59.254 58.200 0.072 0.000 0.844 209 S CB 0.166 63.428 63.200 0.104 0.000 0.816 209 S HN 1.684 nan 8.310 nan 0.000 0.626 210 V N -0.365 119.594 119.914 0.075 0.000 3.113 210 V HA 0.686 4.806 4.120 -0.001 0.000 0.316 210 V C -0.767 175.370 176.094 0.071 0.000 1.125 210 V CA -1.353 60.993 62.300 0.077 0.000 1.026 210 V CB 1.234 33.120 31.823 0.104 0.000 1.080 210 V HN 0.525 nan 8.190 nan 0.000 0.444 211 L N 1.448 122.715 121.223 0.073 0.000 2.343 211 L HA 0.931 5.271 4.340 -0.001 0.000 0.275 211 L C 0.550 177.469 176.870 0.081 0.000 1.056 211 L CA 0.060 54.941 54.840 0.068 0.000 0.804 211 L CB 1.443 43.543 42.059 0.067 0.000 1.203 211 L HN 1.091 nan 8.230 nan 0.000 0.440 212 G N 0.518 109.365 108.800 0.078 0.000 2.673 212 G HA2 0.650 4.610 3.960 -0.001 0.000 0.292 212 G HA3 0.650 4.610 3.960 -0.001 0.000 0.292 212 G C -1.443 173.508 174.900 0.084 0.000 1.450 212 G CA -0.256 44.897 45.100 0.088 0.000 0.837 212 G HN 0.833 nan 8.290 nan 0.000 0.505 213 G N -1.455 107.399 108.800 0.090 0.000 2.694 213 G HA2 0.971 4.930 3.960 -0.001 0.000 0.290 213 G HA3 0.971 4.930 3.960 -0.001 0.000 0.290 213 G C -1.057 173.900 174.900 0.096 0.000 1.386 213 G CA 0.139 45.295 45.100 0.094 0.000 0.872 213 G HN 1.746 nan 8.290 nan 0.000 0.475 214 A N -0.631 122.250 122.820 0.102 0.000 2.515 214 A HA 0.802 5.122 4.320 -0.001 0.000 0.298 214 A C -1.191 176.458 177.584 0.109 0.000 1.059 214 A CA -0.537 51.558 52.037 0.097 0.000 0.698 214 A CB 1.980 21.037 19.000 0.095 0.000 1.289 214 A HN 1.305 nan 8.150 nan 0.000 0.404 215 V N 1.738 121.712 119.914 0.099 0.000 2.555 215 V HA 0.698 4.817 4.120 -0.001 0.000 0.302 215 V C -0.723 175.448 176.094 0.129 0.000 1.038 215 V CA -0.377 62.001 62.300 0.131 0.000 0.887 215 V CB 1.179 33.069 31.823 0.112 0.000 0.991 215 V HN 0.753 nan 8.190 nan 0.000 0.434 216 L N 3.621 124.948 121.223 0.172 0.000 2.409 216 L HA 0.866 5.206 4.340 -0.001 0.000 0.262 216 L C -0.042 176.964 176.870 0.228 0.000 0.992 216 L CA -0.051 54.885 54.840 0.161 0.000 0.817 216 L CB 2.505 44.637 42.059 0.121 0.000 1.350 216 L HN 0.858 nan 8.230 nan 0.000 0.411 217 S N 0.264 116.103 115.700 0.232 0.000 2.685 217 S HA 0.919 5.388 4.470 -0.001 0.000 0.282 217 S C -0.922 173.800 174.600 0.202 0.000 1.159 217 S CA -1.074 57.289 58.200 0.271 0.000 0.833 217 S CB 2.295 65.759 63.200 0.441 0.000 1.151 217 S HN 0.704 nan 8.310 nan 0.000 0.485 218 R N -0.276 120.347 120.500 0.205 0.000 2.902 218 R HA 0.719 5.059 4.340 -0.001 0.000 0.258 218 R C -0.798 175.601 176.300 0.164 0.000 1.071 218 R CA -0.741 55.438 56.100 0.133 0.000 1.024 218 R CB 0.559 30.895 30.300 0.059 0.000 1.184 218 R HN 0.588 nan 8.270 nan 0.000 0.492 219 E N 0.862 121.123 120.200 0.101 0.000 2.376 219 E HA 0.157 4.506 4.350 -0.001 0.000 0.266 219 E C -1.179 175.468 176.600 0.080 0.000 1.009 219 E CA 0.613 57.072 56.400 0.099 0.000 0.902 219 E CB 0.824 30.555 29.700 0.051 0.000 0.972 219 E HN 0.658 nan 8.360 nan 0.000 0.439 220 T N 2.869 117.482 114.554 0.099 0.000 2.893 220 T HA 0.190 4.540 4.350 -0.001 0.000 0.337 220 T C -0.332 174.414 174.700 0.078 0.000 1.587 220 T CA -0.556 61.552 62.100 0.014 0.000 1.066 220 T CB 0.844 69.645 68.868 -0.112 0.000 1.414 220 T HN 0.557 nan 8.240 nan 0.000 0.488 221 E N 1.775 121.980 120.200 0.009 0.000 2.474 221 E HA 0.057 4.407 4.350 -0.001 0.000 0.194 221 E C 1.696 178.078 176.600 -0.364 0.000 1.041 221 E CA -0.002 56.391 56.400 -0.012 0.000 0.874 221 E CB 0.294 29.994 29.700 0.000 0.000 0.914 221 E HN 0.447 nan 8.360 nan 0.000 0.498 222 L N 0.378 121.305 121.223 -0.494 0.000 2.013 222 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 222 L C 1.658 178.249 176.870 -0.466 0.000 1.073 222 L CA 1.910 56.376 54.840 -0.623 0.000 0.753 222 L CB -0.573 40.832 42.059 -1.090 0.000 0.890 222 L HN 0.209 nan 8.230 nan 0.000 0.432 223 W N -0.623 120.563 121.300 -0.190 0.000 2.468 223 W HA -0.084 4.576 4.660 -0.001 0.000 0.262 223 W C 2.618 179.069 176.519 -0.114 0.000 1.241 223 W CA 0.389 57.670 57.345 -0.107 0.000 1.232 223 W CB -0.353 28.938 29.460 -0.281 0.000 1.124 223 W HN 0.109 nan 8.180 nan 0.000 0.597 224 R N 1.210 121.334 120.500 -0.627 0.000 2.159 224 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 224 R C 1.414 177.581 176.300 -0.222 0.000 1.131 224 R CA 1.411 57.018 56.100 -0.823 0.000 0.982 224 R CB -0.299 29.273 30.300 -1.214 0.000 0.868 224 R HN 0.193 nan 8.270 nan 0.000 0.453 225 N N -0.624 118.038 118.700 -0.064 0.000 2.398 225 N HA -0.061 4.678 4.740 -0.001 0.000 0.188 225 N C -0.739 174.784 175.510 0.023 0.000 1.122 225 N CA 0.460 53.493 53.050 -0.029 0.000 0.866 225 N CB 0.420 38.849 38.487 -0.096 0.000 0.970 225 N HN 0.215 nan 8.380 nan 0.000 0.462 226 Y N 1.260 121.649 120.300 0.148 0.000 2.353 226 Y HA 0.242 4.792 4.550 -0.000 0.000 0.340 226 Y C -1.307 174.635 175.900 0.069 0.000 0.972 226 Y CA -2.211 55.985 58.100 0.159 0.000 1.157 226 Y CB 1.525 40.185 38.460 0.332 0.000 1.157 226 Y HN -0.072 nan 8.280 nan 0.000 0.495 227 P HA -0.295 nan 4.420 nan 0.000 0.217 227 P C 1.155 178.438 177.300 -0.029 0.000 1.148 227 P CA 1.608 64.717 63.100 0.015 0.000 0.834 227 P CB 0.289 31.974 31.700 -0.025 0.000 0.783 228 Q N -0.824 118.875 119.800 -0.167 0.000 2.291 228 Q HA -0.121 4.219 4.340 -0.001 0.000 0.205 228 Q C 1.246 177.060 176.000 -0.309 0.000 0.970 228 Q CA 1.353 56.966 55.803 -0.316 0.000 0.876 228 Q CB -1.027 27.412 28.738 -0.497 0.000 0.935 228 Q HN 0.254 nan 8.270 nan 0.000 0.455 229 F N 0.022 120.068 119.950 0.161 0.000 2.765 229 F HA 0.185 4.712 4.527 -0.001 0.000 0.302 229 F C 0.973 176.894 175.800 0.203 0.000 1.111 229 F CA -0.094 58.023 58.000 0.195 0.000 1.359 229 F CB 0.346 39.522 39.000 0.292 0.000 1.097 229 F HN 0.001 nan 8.300 nan 0.000 0.577 230 L N -0.624 120.745 121.223 0.243 0.000 2.766 230 L HA 0.252 4.592 4.340 -0.001 0.000 0.242 230 L C 0.840 177.779 176.870 0.115 0.000 1.136 230 L CA 0.051 54.999 54.840 0.179 0.000 0.933 230 L CB -0.999 41.133 42.059 0.121 0.000 1.241 230 L HN 0.074 nan 8.230 nan 0.000 0.522 240 W N 2.336 123.720 121.300 0.140 0.000 2.338 240 W HA -0.135 4.525 4.660 -0.001 0.000 0.304 240 W C 1.308 177.867 176.519 0.066 0.000 1.212 240 W CA 1.828 59.236 57.345 0.105 0.000 1.264 240 W CB 0.154 29.707 29.460 0.155 0.000 1.142 240 W HN -0.004 nan 8.180 nan 0.000 0.512 241 E N 0.443 120.655 120.200 0.021 0.000 2.072 241 E HA -0.139 4.210 4.350 -0.001 0.000 0.191 241 E C 2.325 178.839 176.600 -0.145 0.000 0.985 241 E CA 1.594 57.950 56.400 -0.073 0.000 0.801 241 E CB -0.913 28.824 29.700 0.061 0.000 0.750 241 E HN 0.319 nan 8.360 nan 0.000 0.452 242 A N 0.054 122.823 122.820 -0.085 0.000 1.968 242 A HA -0.002 4.318 4.320 -0.001 0.000 0.217 242 A C 2.091 179.596 177.584 -0.131 0.000 1.169 242 A CA 0.951 52.939 52.037 -0.081 0.000 0.638 242 A CB -0.059 18.920 19.000 -0.034 0.000 0.812 242 A HN 0.200 nan 8.150 nan 0.000 0.446 243 L N -3.536 117.576 121.223 -0.185 0.000 3.076 243 L HA 0.208 4.547 4.340 -0.001 0.000 0.271 243 L C 1.192 177.871 176.870 -0.318 0.000 1.152 243 L CA -0.315 54.408 54.840 -0.194 0.000 0.996 243 L CB 0.244 42.229 42.059 -0.123 0.000 1.453 243 L HN 0.241 nan 8.230 nan 0.000 0.571 244 R N 0.116 120.250 120.500 -0.610 0.000 3.835 244 R HA -0.326 4.014 4.340 -0.001 0.000 0.455 244 R C 1.357 177.287 176.300 -0.617 0.000 0.241 244 R CA 1.494 56.910 56.100 -1.140 0.000 1.439 244 R CB -1.489 28.342 30.300 -0.782 0.000 0.987 244 R HN 0.273 nan 8.270 nan 0.000 0.570 245 A N 1.322 123.994 122.820 -0.247 0.000 2.216 245 A HA -0.095 4.225 4.320 -0.001 0.000 0.214 245 A C 1.921 179.595 177.584 0.150 0.000 1.160 245 A CA 1.673 53.854 52.037 0.240 0.000 0.725 245 A CB -0.356 18.787 19.000 0.238 0.000 0.784 245 A HN 0.422 nan 8.150 nan 0.000 0.472 246 R N -0.644 119.836 120.500 -0.034 0.000 2.297 246 R HA -0.026 4.314 4.340 -0.001 0.000 0.197 246 R C 2.054 178.269 176.300 -0.141 0.000 0.943 246 R CA 0.809 56.869 56.100 -0.068 0.000 1.038 246 R CB -0.680 29.571 30.300 -0.082 0.000 0.957 246 R HN 0.852 nan 8.270 nan 0.000 0.484 247 C N -0.336 118.856 119.300 -0.180 0.000 2.413 247 C HA -0.097 4.363 4.460 -0.001 0.000 0.276 247 C C 2.315 177.014 174.990 -0.484 0.000 1.248 247 C CA 0.103 58.968 59.018 -0.256 0.000 1.742 247 C CB -1.302 26.302 27.740 -0.227 0.000 2.017 247 C HN 0.438 nan 8.230 nan 0.000 0.481 248 F N 4.509 123.881 119.950 -0.962 0.000 2.075 248 F HA 0.057 4.583 4.527 -0.001 0.000 0.297 248 F C -0.149 175.395 175.800 -0.428 0.000 1.113 248 F CA 1.864 59.249 58.000 -1.024 0.000 1.218 248 F CB -1.541 36.344 39.000 -1.859 0.000 0.984 248 F HN 0.125 nan 8.300 nan 0.000 0.472 249 P HA -0.151 nan 4.420 nan 0.000 0.221 249 P C 1.139 178.246 177.300 -0.321 0.000 1.150 249 P CA 1.456 64.306 63.100 -0.417 0.000 0.800 249 P CB -0.171 31.443 31.700 -0.144 0.000 0.787 250 E N 0.205 120.262 120.200 -0.239 0.000 2.110 250 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 250 E C 2.235 178.739 176.600 -0.159 0.000 0.988 250 E CA 0.871 57.172 56.400 -0.165 0.000 0.804 250 E CB -0.475 29.159 29.700 -0.109 0.000 0.745 250 E HN 0.300 nan 8.360 nan 0.000 0.458 251 R N 0.810 121.208 120.500 -0.169 0.000 2.115 251 R HA -0.073 4.267 4.340 -0.001 0.000 0.230 251 R C 2.298 178.450 176.300 -0.247 0.000 1.111 251 R CA 0.764 56.784 56.100 -0.134 0.000 0.976 251 R CB 0.026 30.337 30.300 0.020 0.000 0.870 251 R HN -0.029 nan 8.270 nan 0.000 0.445 252 V N 0.959 120.621 119.914 -0.421 0.000 2.295 252 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 252 V C 2.515 178.478 176.094 -0.219 0.000 1.049 252 V CA 2.151 64.223 62.300 -0.379 0.000 1.024 252 V CB -0.649 30.861 31.823 -0.522 0.000 0.648 252 V HN 0.397 nan 8.190 nan 0.000 0.447 253 R N -0.073 120.310 120.500 -0.195 0.000 2.103 253 R HA -0.207 4.132 4.340 -0.001 0.000 0.234 253 R C 2.468 178.714 176.300 -0.089 0.000 1.132 253 R CA 2.500 58.529 56.100 -0.119 0.000 0.925 253 R CB -0.744 29.489 30.300 -0.111 0.000 0.842 253 R HN 0.542 nan 8.270 nan 0.000 0.430 254 T N 1.575 116.074 114.554 -0.091 0.000 2.635 254 T HA -0.178 4.172 4.350 -0.001 0.000 0.267 254 T C 1.806 176.474 174.700 -0.054 0.000 1.040 254 T CA 1.755 63.818 62.100 -0.061 0.000 1.156 254 T CB -0.201 68.633 68.868 -0.055 0.000 0.863 254 T HN 0.193 nan 8.240 nan 0.000 0.430 255 L N 0.197 121.370 121.223 -0.084 0.000 2.072 255 L HA 0.091 4.431 4.340 -0.001 0.000 0.205 255 L C 3.037 179.866 176.870 -0.068 0.000 1.079 255 L CA 1.331 56.123 54.840 -0.081 0.000 0.752 255 L CB -0.898 41.085 42.059 -0.128 0.000 0.906 255 L HN 0.371 nan 8.230 nan 0.000 0.436 256 G N -0.288 108.461 108.800 -0.086 0.000 2.408 256 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.215 256 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.215 256 G C 1.550 176.455 174.900 0.009 0.000 1.156 256 G CA 0.311 45.378 45.100 -0.054 0.000 0.793 256 G HN 0.169 nan 8.290 nan 0.000 0.535 257 L N -0.241 120.983 121.223 0.002 0.000 2.453 257 L HA 0.148 4.488 4.340 -0.001 0.000 0.190 257 L C 3.023 179.922 176.870 0.049 0.000 1.093 257 L CA 0.574 55.433 54.840 0.031 0.000 0.834 257 L CB -0.457 41.612 42.059 0.017 0.000 1.090 257 L HN 0.071 nan 8.230 nan 0.000 0.489 258 S N 0.572 116.290 115.700 0.030 0.000 2.368 258 S HA -0.059 4.410 4.470 -0.001 0.000 0.225 258 S C 1.871 176.504 174.600 0.055 0.000 1.030 258 S CA 1.383 59.612 58.200 0.048 0.000 0.999 258 S CB -0.117 63.097 63.200 0.024 0.000 0.844 258 S HN 0.227 nan 8.310 nan 0.000 0.459 259 L N -0.477 120.769 121.223 0.038 0.000 2.347 259 L HA 0.137 4.476 4.340 -0.001 0.000 0.196 259 L C 2.161 179.067 176.870 0.060 0.000 1.072 259 L CA 0.437 55.303 54.840 0.042 0.000 0.817 259 L CB -0.444 41.629 42.059 0.023 0.000 1.029 259 L HN 0.297 nan 8.230 nan 0.000 0.478 260 C N 0.492 119.832 119.300 0.066 0.000 2.481 260 C HA 0.208 4.667 4.460 -0.001 0.000 0.275 260 C C 1.655 176.708 174.990 0.106 0.000 1.419 260 C CA 0.440 59.521 59.018 0.104 0.000 1.773 260 C CB -1.097 26.733 27.740 0.149 0.000 1.862 260 C HN 0.838 nan 8.230 nan 0.000 0.530 261 G N 1.128 109.984 108.800 0.093 0.000 2.246 261 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.273 261 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.273 261 G C 0.117 175.077 174.900 0.100 0.000 1.055 261 G CA 0.101 45.261 45.100 0.101 0.000 0.851 261 G HN 0.598 nan 8.290 nan 0.000 0.500 262 M N 0.646 120.306 119.600 0.100 0.000 3.607 262 M HA 0.434 4.914 4.480 -0.001 0.000 0.206 262 M C 1.014 177.367 176.300 0.090 0.000 1.314 262 M CA 0.353 55.717 55.300 0.107 0.000 1.526 262 M CB 0.220 32.901 32.600 0.135 0.000 1.101 262 M HN 0.490 nan 8.290 nan 0.000 0.539 263 A N 1.541 124.411 122.820 0.083 0.000 2.327 263 A HA 0.544 4.864 4.320 -0.001 0.000 0.283 263 A C -0.522 177.107 177.584 0.076 0.000 1.127 263 A CA -0.645 51.436 52.037 0.073 0.000 0.810 263 A CB 0.515 19.556 19.000 0.067 0.000 1.066 263 A HN 0.606 nan 8.150 nan 0.000 0.492 264 L N 2.695 123.962 121.223 0.073 0.000 2.331 264 L HA 0.408 4.747 4.340 -0.001 0.000 0.278 264 L C 0.827 177.748 176.870 0.086 0.000 1.106 264 L CA 0.459 55.349 54.840 0.083 0.000 0.824 264 L CB 1.216 43.325 42.059 0.083 0.000 1.142 264 L HN 0.711 nan 8.230 nan 0.000 0.443 265 S N 6.185 121.951 115.700 0.109 0.000 2.562 265 S HA 0.266 4.736 4.470 -0.001 0.000 0.281 265 S C -1.419 173.248 174.600 0.110 0.000 1.333 265 S CA -0.743 57.538 58.200 0.135 0.000 1.052 265 S CB 0.597 63.922 63.200 0.209 0.000 0.884 265 S HN 0.697 nan 8.310 nan 0.000 0.506 266 P HA -0.073 nan 4.420 nan 0.000 0.220 266 P C 1.021 178.263 177.300 -0.096 0.000 1.148 266 P CA 1.160 64.222 63.100 -0.063 0.000 0.803 266 P CB -0.098 31.503 31.700 -0.166 0.000 0.782 267 F N 1.056 121.036 119.950 0.049 0.000 2.134 267 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 267 F C 2.196 178.077 175.800 0.136 0.000 1.097 267 F CA 1.503 59.539 58.000 0.061 0.000 1.264 267 F CB -1.597 37.415 39.000 0.020 0.000 1.001 267 F HN -0.083 nan 8.300 nan 0.000 0.479 268 N N 0.413 119.290 118.700 0.296 0.000 2.120 268 N HA -0.138 4.602 4.740 -0.001 0.000 0.188 268 N C 1.992 177.622 175.510 0.201 0.000 1.024 268 N CA 1.372 54.554 53.050 0.220 0.000 0.852 268 N CB -0.854 37.732 38.487 0.166 0.000 1.003 268 N HN 0.230 nan 8.380 nan 0.000 0.424 269 A N 0.070 122.992 122.820 0.171 0.000 1.948 269 A HA -0.239 4.081 4.320 -0.001 0.000 0.220 269 A C 2.162 179.871 177.584 0.208 0.000 1.177 269 A CA 1.506 53.636 52.037 0.156 0.000 0.636 269 A CB -1.069 17.987 19.000 0.094 0.000 0.815 269 A HN 0.510 nan 8.150 nan 0.000 0.449 270 Y N 0.269 120.615 120.300 0.077 0.000 2.163 270 Y HA -0.101 4.449 4.550 -0.001 0.000 0.288 270 Y C 1.972 177.981 175.900 0.182 0.000 1.136 270 Y CA 1.839 59.993 58.100 0.090 0.000 1.147 270 Y CB -0.287 38.188 38.460 0.024 0.000 0.987 270 Y HN 0.199 nan 8.280 nan 0.000 0.509 271 L N -0.265 121.126 121.223 0.280 0.000 2.083 271 L HA -0.242 4.098 4.340 -0.001 0.000 0.209 271 L C 2.398 179.342 176.870 0.124 0.000 1.083 271 L CA 1.265 56.207 54.840 0.170 0.000 0.752 271 L CB -0.623 41.572 42.059 0.228 0.000 0.899 271 L HN 0.324 nan 8.230 nan 0.000 0.433 272 L N -1.523 119.793 121.223 0.155 0.000 2.093 272 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 272 L C 2.546 179.495 176.870 0.130 0.000 1.085 272 L CA 1.053 55.975 54.840 0.136 0.000 0.755 272 L CB -0.569 41.574 42.059 0.141 0.000 0.904 272 L HN 0.144 nan 8.230 nan 0.000 0.435 273 F N 0.975 120.916 119.950 -0.015 0.000 2.126 273 F HA -0.282 4.245 4.527 -0.001 0.000 0.299 273 F C 2.627 178.381 175.800 -0.077 0.000 1.096 273 F CA 1.765 59.737 58.000 -0.047 0.000 1.255 273 F CB -0.145 38.816 39.000 -0.064 0.000 0.997 273 F HN 0.060 nan 8.300 nan 0.000 0.479 274 Q N -0.374 119.405 119.800 -0.036 0.000 2.083 274 Q HA -0.065 4.274 4.340 -0.001 0.000 0.198 274 Q C 2.543 178.515 176.000 -0.047 0.000 0.969 274 Q CA 1.098 56.835 55.803 -0.111 0.000 0.838 274 Q CB -0.751 27.907 28.738 -0.134 0.000 0.900 274 Q HN 0.580 nan 8.270 nan 0.000 0.436 275 G N 1.162 109.981 108.800 0.031 0.000 2.450 275 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.220 275 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.220 275 G C 1.374 176.284 174.900 0.016 0.000 1.130 275 G CA 0.483 45.626 45.100 0.071 0.000 0.760 275 G HN 0.197 nan 8.290 nan 0.000 0.557 276 L N 0.085 121.289 121.223 -0.031 0.000 2.265 276 L HA -0.056 4.284 4.340 -0.001 0.000 0.215 276 L C 2.711 179.540 176.870 -0.068 0.000 1.117 276 L CA 0.880 55.694 54.840 -0.044 0.000 0.782 276 L CB -0.313 41.676 42.059 -0.116 0.000 0.914 276 L HN 0.330 nan 8.230 nan 0.000 0.441 277 E N -0.525 119.607 120.200 -0.112 0.000 2.268 277 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 277 E C 1.596 178.184 176.600 -0.019 0.000 0.995 277 E CA 1.624 57.963 56.400 -0.101 0.000 0.836 277 E CB 0.069 29.696 29.700 -0.122 0.000 0.763 277 E HN 0.562 nan 8.360 nan 0.000 0.491 278 T N -2.858 111.705 114.554 0.016 0.000 3.040 278 T HA 0.154 4.503 4.350 -0.001 0.000 0.266 278 T C 1.569 176.306 174.700 0.061 0.000 1.005 278 T CA -0.222 61.903 62.100 0.042 0.000 0.906 278 T CB 0.440 69.335 68.868 0.045 0.000 1.082 278 T HN -0.027 nan 8.240 nan 0.000 0.531 279 V N 1.977 121.942 119.914 0.086 0.000 2.332 279 V HA -0.088 4.031 4.120 -0.001 0.000 0.248 279 V C 2.844 178.988 176.094 0.083 0.000 1.055 279 V CA 2.360 64.724 62.300 0.108 0.000 1.038 279 V CB -1.065 30.847 31.823 0.148 0.000 0.651 279 V HN 0.663 nan 8.190 nan 0.000 0.450 280 A N -0.641 122.250 122.820 0.119 0.000 1.898 280 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 280 A C 2.168 179.757 177.584 0.007 0.000 1.181 280 A CA 1.915 53.956 52.037 0.007 0.000 0.620 280 A CB -0.580 18.457 19.000 0.062 0.000 0.819 280 A HN 0.562 nan 8.150 nan 0.000 0.442 281 L N -0.988 120.259 121.223 0.039 0.000 2.042 281 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 281 L C 2.953 179.840 176.870 0.027 0.000 1.076 281 L CA 1.640 56.497 54.840 0.029 0.000 0.749 281 L CB -0.439 41.640 42.059 0.034 0.000 0.893 281 L HN 0.384 nan 8.230 nan 0.000 0.432 282 R N -0.825 119.697 120.500 0.038 0.000 2.066 282 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 282 R C 2.214 178.550 176.300 0.061 0.000 1.131 282 R CA 1.282 57.412 56.100 0.049 0.000 0.955 282 R CB -0.551 29.782 30.300 0.054 0.000 0.851 282 R HN 0.169 nan 8.270 nan 0.000 0.432 283 V N 1.318 121.259 119.914 0.045 0.000 2.332 283 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 283 V C 2.486 178.571 176.094 -0.014 0.000 1.055 283 V CA 1.985 64.281 62.300 -0.007 0.000 1.038 283 V CB -0.788 30.966 31.823 -0.115 0.000 0.651 283 V HN 0.419 nan 8.190 nan 0.000 0.450 284 A N 0.642 123.452 122.820 -0.017 0.000 1.883 284 A HA -0.281 4.039 4.320 -0.001 0.000 0.217 284 A C 2.319 179.913 177.584 0.016 0.000 1.186 284 A CA 2.321 54.354 52.037 -0.006 0.000 0.624 284 A CB -0.546 18.447 19.000 -0.012 0.000 0.822 284 A HN 0.498 nan 8.150 nan 0.000 0.444 285 R N -0.209 120.304 120.500 0.023 0.000 2.081 285 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 285 R C 1.964 178.289 176.300 0.042 0.000 1.131 285 R CA 2.272 58.387 56.100 0.026 0.000 0.960 285 R CB -0.690 29.626 30.300 0.027 0.000 0.856 285 R HN 0.545 nan 8.270 nan 0.000 0.436 286 M N 0.044 119.682 119.600 0.064 0.000 2.175 286 M HA -0.101 4.378 4.480 -0.001 0.000 0.264 286 M C 2.299 178.654 176.300 0.092 0.000 1.063 286 M CA 2.057 57.413 55.300 0.093 0.000 1.119 286 M CB -0.296 32.395 32.600 0.151 0.000 1.377 286 M HN 0.360 nan 8.290 nan 0.000 0.415 287 S N -0.027 115.723 115.700 0.084 0.000 2.406 287 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 287 S C 1.788 176.454 174.600 0.109 0.000 1.020 287 S CA 1.214 59.487 58.200 0.122 0.000 0.965 287 S CB -0.329 62.925 63.200 0.090 0.000 0.798 287 S HN 0.538 nan 8.310 nan 0.000 0.488 288 E N 0.778 121.017 120.200 0.065 0.000 2.038 288 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 288 E C 1.888 178.514 176.600 0.042 0.000 1.000 288 E CA 1.869 58.297 56.400 0.046 0.000 0.803 288 E CB -0.441 29.268 29.700 0.016 0.000 0.750 288 E HN 0.643 nan 8.360 nan 0.000 0.448 289 T N 0.635 115.210 114.554 0.034 0.000 2.708 289 T HA -0.138 4.212 4.350 -0.001 0.000 0.266 289 T C 1.867 176.578 174.700 0.019 0.000 1.037 289 T CA 1.348 63.480 62.100 0.053 0.000 1.146 289 T CB -0.374 68.522 68.868 0.047 0.000 0.865 289 T HN 0.352 nan 8.240 nan 0.000 0.435 290 A N 1.635 124.430 122.820 -0.042 0.000 1.908 290 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 290 A C 2.272 179.491 177.584 -0.609 0.000 1.181 290 A CA 2.162 54.063 52.037 -0.226 0.000 0.627 290 A CB -0.613 18.355 19.000 -0.053 0.000 0.818 290 A HN 0.424 nan 8.150 nan 0.000 0.445 291 R N -1.634 118.580 120.500 -0.476 0.000 2.081 291 R HA -0.128 4.212 4.340 -0.001 0.000 0.235 291 R C 1.896 178.081 176.300 -0.192 0.000 1.131 291 R CA 1.792 57.638 56.100 -0.424 0.000 0.960 291 R CB -0.573 29.741 30.300 0.024 0.000 0.856 291 R HN 0.485 nan 8.270 nan 0.000 0.436 292 F N 0.875 120.707 119.950 -0.197 0.000 2.069 292 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 292 F C 1.648 177.338 175.800 -0.183 0.000 1.113 292 F CA 1.728 59.643 58.000 -0.142 0.000 1.214 292 F CB -0.359 38.584 39.000 -0.095 0.000 0.978 292 F HN 0.009 nan 8.300 nan 0.000 0.474 293 L N -0.152 120.918 121.223 -0.255 0.000 2.046 293 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 293 L C 2.814 179.436 176.870 -0.413 0.000 1.077 293 L CA 1.086 55.677 54.840 -0.416 0.000 0.747 293 L CB -1.277 40.534 42.059 -0.413 0.000 0.896 293 L HN 0.275 nan 8.230 nan 0.000 0.432 294 A N 0.235 122.815 122.820 -0.401 0.000 1.859 294 A HA -0.273 4.047 4.320 -0.001 0.000 0.217 294 A C 2.188 179.642 177.584 -0.216 0.000 1.198 294 A CA 2.077 53.932 52.037 -0.304 0.000 0.629 294 A CB -0.612 18.141 19.000 -0.411 0.000 0.830 294 A HN 0.469 nan 8.150 nan 0.000 0.446 295 E N -1.012 119.053 120.200 -0.226 0.000 2.077 295 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 295 E C 2.244 178.713 176.600 -0.218 0.000 0.989 295 E CA 0.999 57.294 56.400 -0.174 0.000 0.800 295 E CB -0.132 29.486 29.700 -0.135 0.000 0.746 295 E HN 0.345 nan 8.360 nan 0.000 0.452 296 R N 0.076 120.359 120.500 -0.362 0.000 2.200 296 R HA 0.054 4.394 4.340 -0.001 0.000 0.208 296 R C 2.123 178.302 176.300 -0.202 0.000 1.033 296 R CA 0.552 56.444 56.100 -0.346 0.000 1.000 296 R CB -0.053 29.876 30.300 -0.618 0.000 0.906 296 R HN 0.254 nan 8.270 nan 0.000 0.462 297 L N 0.774 121.879 121.223 -0.196 0.000 2.515 297 L HA 0.011 4.350 4.340 -0.001 0.000 0.223 297 L C 2.509 179.349 176.870 -0.050 0.000 1.079 297 L CA 0.245 55.017 54.840 -0.113 0.000 0.857 297 L CB -0.160 41.790 42.059 -0.181 0.000 1.050 297 L HN 0.119 nan 8.230 nan 0.000 0.476 298 Q N 0.453 120.211 119.800 -0.070 0.000 2.124 298 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 298 Q C 1.823 177.817 176.000 -0.010 0.000 0.977 298 Q CA 1.822 57.603 55.803 -0.038 0.000 0.850 298 Q CB -0.655 28.060 28.738 -0.039 0.000 0.901 298 Q HN 0.326 nan 8.270 nan 0.000 0.429 299 G N 0.056 108.850 108.800 -0.011 0.000 2.956 299 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.207 299 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.207 299 G C -0.318 174.595 174.900 0.021 0.000 1.162 299 G CA -0.131 44.967 45.100 -0.004 0.000 0.796 299 G HN 0.557 nan 8.290 nan 0.000 0.527 300 H N 0.988 120.030 119.070 -0.046 0.000 2.652 300 H HA 0.237 4.793 4.556 -0.001 0.000 0.349 300 H C -0.729 174.581 175.328 -0.030 0.000 1.099 300 H CA -1.383 54.645 56.048 -0.033 0.000 1.417 300 H CB 1.978 31.723 29.762 -0.028 0.000 1.457 300 H HN -0.070 nan 8.280 nan 0.000 0.568 301 P HA -0.144 nan 4.420 nan 0.000 0.220 301 P C 0.319 177.688 177.300 0.115 0.000 1.148 301 P CA 1.330 64.416 63.100 -0.023 0.000 0.803 301 P CB 0.319 31.950 31.700 -0.115 0.000 0.782 302 K N -0.306 120.314 120.400 0.366 0.000 2.459 302 K HA 0.125 4.445 4.320 -0.001 0.000 0.193 302 K C 0.380 177.012 176.600 0.054 0.000 1.030 302 K CA 0.206 56.610 56.287 0.195 0.000 1.026 302 K CB 0.233 32.855 32.500 0.203 0.000 0.809 302 K HN 0.045 nan 8.250 nan 0.000 0.504 303 V N 2.536 122.495 119.914 0.074 0.000 2.320 303 V HA 0.065 4.184 4.120 -0.001 0.000 0.265 303 V C 0.847 176.932 176.094 -0.016 0.000 1.048 303 V CA -0.130 62.150 62.300 -0.033 0.000 0.865 303 V CB 0.973 32.771 31.823 -0.042 0.000 1.043 303 V HN 0.034 nan 8.190 nan 0.000 0.474 304 K N 3.447 123.826 120.400 -0.036 0.000 2.057 304 K HA 0.099 4.419 4.320 -0.001 0.000 0.207 304 K C 0.760 177.346 176.600 -0.024 0.000 1.049 304 K CA 1.408 57.678 56.287 -0.028 0.000 0.931 304 K CB 0.037 32.514 32.500 -0.038 0.000 0.714 304 K HN 0.829 nan 8.250 nan 0.000 0.440 305 A N -0.259 122.543 122.820 -0.029 0.000 2.517 305 A HA 0.591 4.910 4.320 -0.001 0.000 0.297 305 A C -1.767 175.807 177.584 -0.016 0.000 1.050 305 A CA -0.683 51.343 52.037 -0.018 0.000 0.694 305 A CB 1.104 20.095 19.000 -0.014 0.000 1.277 305 A HN 0.118 nan 8.150 nan 0.000 0.400 306 L N 2.043 123.263 121.223 -0.005 0.000 2.349 306 L HA 0.693 5.033 4.340 -0.001 0.000 0.278 306 L C -0.271 176.625 176.870 0.043 0.000 0.996 306 L CA -0.495 54.350 54.840 0.009 0.000 0.825 306 L CB 1.398 43.451 42.059 -0.010 0.000 1.243 306 L HN 0.842 nan 8.230 nan 0.000 0.412 307 R N 3.677 124.219 120.500 0.070 0.000 2.346 307 R HA 0.530 4.870 4.340 -0.001 0.000 0.311 307 R C -1.784 174.628 176.300 0.187 0.000 0.983 307 R CA -0.407 55.751 56.100 0.096 0.000 0.880 307 R CB 1.483 31.825 30.300 0.070 0.000 1.100 307 R HN 0.468 nan 8.270 nan 0.000 0.453 308 Y N 4.275 124.593 120.300 0.030 0.000 2.348 308 Y HA 0.280 4.830 4.550 -0.001 0.000 0.321 308 Y C -2.418 173.516 175.900 0.057 0.000 1.163 308 Y CA -2.477 55.648 58.100 0.042 0.000 1.070 308 Y CB 2.143 40.617 38.460 0.023 0.000 1.250 308 Y HN 0.483 nan 8.280 nan 0.000 0.425 309 P HA -0.009 nan 4.420 nan 0.000 0.223 309 P C 1.102 178.276 177.300 -0.211 0.000 1.144 309 P CA 1.956 64.860 63.100 -0.326 0.000 0.783 309 P CB 0.355 31.872 31.700 -0.305 0.000 0.771 310 G N -1.472 107.079 108.800 -0.414 0.000 3.088 310 G HA2 0.098 4.058 3.960 -0.001 0.000 0.217 310 G HA3 0.098 4.058 3.960 -0.001 0.000 0.217 310 G C 0.301 175.354 174.900 0.254 0.000 1.159 310 G CA -0.197 44.965 45.100 0.103 0.000 0.760 310 G HN 0.191 nan 8.290 nan 0.000 0.550 311 L N 0.968 122.318 121.223 0.212 0.000 2.410 311 L HA 0.162 4.501 4.340 -0.001 0.000 0.273 311 L C -1.104 175.657 176.870 -0.182 0.000 1.152 311 L CA -1.545 53.335 54.840 0.066 0.000 0.855 311 L CB 1.590 43.708 42.059 0.098 0.000 1.129 311 L HN -0.043 nan 8.230 nan 0.000 0.463 312 P HA -0.198 nan 4.420 nan 0.000 0.216 312 P C 0.707 177.792 177.300 -0.358 0.000 1.157 312 P CA 1.304 64.067 63.100 -0.562 0.000 0.880 312 P CB 0.232 31.773 31.700 -0.266 0.000 0.791 313 E N -1.011 119.092 120.200 -0.161 0.000 2.465 313 E HA 0.023 4.372 4.350 -0.001 0.000 0.191 313 E C 0.383 176.965 176.600 -0.029 0.000 1.053 313 E CA 0.099 56.455 56.400 -0.074 0.000 0.869 313 E CB -0.794 28.877 29.700 -0.048 0.000 0.977 313 E HN 0.406 nan 8.360 nan 0.000 0.483 314 D N 1.398 121.788 120.400 -0.017 0.000 2.414 314 D HA -0.008 4.632 4.640 -0.001 0.000 0.242 314 D C -1.571 174.753 176.300 0.041 0.000 1.129 314 D CA -1.647 52.368 54.000 0.025 0.000 0.885 314 D CB 1.744 42.568 40.800 0.041 0.000 1.198 314 D HN -0.154 nan 8.370 nan 0.000 0.437 315 P HA -0.075 nan 4.420 nan 0.000 0.219 315 P C 0.545 177.856 177.300 0.017 0.000 1.146 315 P CA 0.880 63.992 63.100 0.019 0.000 0.808 315 P CB 0.174 31.878 31.700 0.007 0.000 0.779 316 A N -1.745 121.082 122.820 0.012 0.000 2.208 316 A HA -0.092 4.227 4.320 -0.001 0.000 0.209 316 A C 2.005 179.581 177.584 -0.013 0.000 1.161 316 A CA 0.731 52.758 52.037 -0.015 0.000 0.782 316 A CB -1.351 17.621 19.000 -0.046 0.000 0.816 316 A HN 0.190 nan 8.150 nan 0.000 0.477 317 H N 1.432 120.467 119.070 -0.059 0.000 2.357 317 H HA -0.166 4.390 4.556 -0.001 0.000 0.301 317 H C 2.292 177.585 175.328 -0.058 0.000 1.082 317 H CA 2.109 58.120 56.048 -0.062 0.000 1.342 317 H CB -0.080 29.656 29.762 -0.044 0.000 1.389 317 H HN 0.600 nan 8.280 nan 0.000 0.511 318 R N 0.110 120.587 120.500 -0.038 0.000 2.143 318 R HA -0.210 4.129 4.340 -0.001 0.000 0.239 318 R C 1.644 177.849 176.300 -0.158 0.000 1.126 318 R CA 2.113 58.160 56.100 -0.087 0.000 0.927 318 R CB -0.649 29.634 30.300 -0.027 0.000 0.860 318 R HN 0.298 nan 8.270 nan 0.000 0.433 319 N N 0.684 119.325 118.700 -0.098 0.000 2.300 319 N HA 0.034 4.773 4.740 -0.001 0.000 0.179 319 N C 1.786 177.257 175.510 -0.065 0.000 1.016 319 N CA 1.347 54.374 53.050 -0.038 0.000 0.876 319 N CB -0.332 38.180 38.487 0.041 0.000 0.979 319 N HN 0.447 nan 8.380 nan 0.000 0.432 320 A N 1.308 124.049 122.820 -0.131 0.000 1.892 320 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 320 A C 2.244 179.688 177.584 -0.233 0.000 1.188 320 A CA 1.738 53.672 52.037 -0.171 0.000 0.631 320 A CB -0.592 18.282 19.000 -0.210 0.000 0.822 320 A HN 0.276 nan 8.150 nan 0.000 0.447 321 R N -0.448 119.846 120.500 -0.344 0.000 2.115 321 R HA -0.115 4.225 4.340 -0.001 0.000 0.230 321 R C 2.217 178.361 176.300 -0.260 0.000 1.111 321 R CA 1.808 57.716 56.100 -0.321 0.000 0.976 321 R CB -0.176 29.890 30.300 -0.390 0.000 0.870 321 R HN 0.605 nan 8.270 nan 0.000 0.445 322 K N -1.013 119.167 120.400 -0.366 0.000 2.021 322 K HA -0.109 4.211 4.320 -0.001 0.000 0.205 322 K C 1.261 177.475 176.600 -0.643 0.000 1.047 322 K CA 1.244 57.186 56.287 -0.575 0.000 0.943 322 K CB 0.013 31.933 32.500 -0.966 0.000 0.725 322 K HN 0.162 nan 8.250 nan 0.000 0.439 323 Y N 0.485 120.582 120.300 -0.339 0.000 2.476 323 Y HA 0.233 4.783 4.550 -0.001 0.000 0.283 323 Y C 0.570 176.413 175.900 -0.095 0.000 1.109 323 Y CA -0.073 57.816 58.100 -0.351 0.000 1.246 323 Y CB 0.357 38.504 38.460 -0.521 0.000 1.068 323 Y HN -0.104 nan 8.280 nan 0.000 0.552 324 L N -0.914 120.311 121.223 0.004 0.000 2.344 324 L HA 0.499 4.838 4.340 -0.001 0.000 0.272 324 L C 1.225 178.079 176.870 -0.026 0.000 1.035 324 L CA -0.611 54.222 54.840 -0.012 0.000 0.807 324 L CB 1.381 43.403 42.059 -0.062 0.000 1.237 324 L HN -0.051 nan 8.230 nan 0.000 0.442 325 A N 1.110 123.909 122.820 -0.036 0.000 2.066 325 A HA 0.051 4.370 4.320 -0.001 0.000 0.218 325 A C 1.005 178.564 177.584 -0.042 0.000 1.157 325 A CA 1.334 53.345 52.037 -0.043 0.000 0.670 325 A CB -0.215 18.740 19.000 -0.075 0.000 0.804 325 A HN 0.824 nan 8.150 nan 0.000 0.453 326 S N -4.481 111.189 115.700 -0.049 0.000 2.800 326 S HA 0.500 4.970 4.470 -0.001 0.000 0.293 326 S C 1.046 175.620 174.600 -0.044 0.000 1.209 326 S CA 0.250 58.437 58.200 -0.022 0.000 0.884 326 S CB 0.507 63.711 63.200 0.006 0.000 1.244 326 S HN 0.676 nan 8.310 nan 0.000 0.540 327 G N -0.074 108.728 108.800 0.002 0.000 2.534 327 G HA2 0.453 4.413 3.960 -0.001 0.000 0.217 327 G HA3 0.453 4.413 3.960 -0.001 0.000 0.217 327 G C 1.125 175.887 174.900 -0.230 0.000 1.128 327 G CA 0.534 45.527 45.100 -0.179 0.000 0.784 327 G HN 1.941 nan 8.290 nan 0.000 0.542 328 G N -0.352 108.449 108.800 0.002 0.000 2.756 328 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.678 328 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.678 328 G C -1.839 173.161 174.900 0.165 0.000 1.349 328 G CA -0.090 45.007 45.100 -0.006 0.000 0.847 328 G HN 0.144 nan 8.290 nan 0.000 0.548 329 P HA 0.305 nan 4.420 nan 0.000 0.267 329 P C 0.327 177.795 177.300 0.280 0.000 1.289 329 P CA 0.297 63.514 63.100 0.194 0.000 0.866 329 P CB 0.378 32.193 31.700 0.191 0.000 1.309 330 I N 1.594 122.351 120.570 0.311 0.000 2.530 330 I HA 0.405 4.574 4.170 -0.001 0.000 0.297 330 I C 0.423 176.774 176.117 0.392 0.000 1.011 330 I CA -1.256 60.248 61.300 0.340 0.000 1.107 330 I CB 1.898 40.141 38.000 0.406 0.000 1.285 330 I HN -0.141 nan 8.210 nan 0.000 0.436 331 L N 2.830 124.243 121.223 0.316 0.000 2.409 331 L HA 0.956 5.296 4.340 -0.001 0.000 0.255 331 L C -0.312 176.684 176.870 0.210 0.000 1.027 331 L CA -0.520 54.498 54.840 0.295 0.000 0.834 331 L CB 2.181 44.360 42.059 0.201 0.000 1.426 331 L HN 0.657 nan 8.230 nan 0.000 0.411 332 T N -0.787 113.865 114.554 0.164 0.000 2.907 332 T HA 0.823 5.173 4.350 -0.001 0.000 0.292 332 T C -0.701 174.041 174.700 0.072 0.000 1.043 332 T CA -0.764 61.414 62.100 0.130 0.000 1.003 332 T CB 1.593 70.529 68.868 0.115 0.000 1.084 332 T HN 0.687 nan 8.240 nan 0.000 0.483 333 L N 1.546 122.795 121.223 0.044 0.000 2.362 333 L HA 0.650 4.990 4.340 -0.001 0.000 0.271 333 L C -0.870 175.971 176.870 -0.048 0.000 1.002 333 L CA -1.030 53.788 54.840 -0.036 0.000 0.818 333 L CB 1.894 43.876 42.059 -0.129 0.000 1.298 333 L HN 0.713 nan 8.230 nan 0.000 0.420 334 D N 2.067 122.431 120.400 -0.060 0.000 2.349 334 D HA 0.333 4.973 4.640 -0.001 0.000 0.232 334 D C 0.321 176.565 176.300 -0.094 0.000 1.071 334 D CA -0.258 53.707 54.000 -0.059 0.000 0.832 334 D CB 1.538 42.313 40.800 -0.041 0.000 1.086 334 D HN 0.444 nan 8.370 nan 0.000 0.504 335 L N 3.081 124.240 121.223 -0.107 0.000 2.558 335 L HA 0.274 4.614 4.340 -0.001 0.000 0.225 335 L C 1.771 178.596 176.870 -0.074 0.000 1.128 335 L CA 0.623 55.388 54.840 -0.124 0.000 0.868 335 L CB -0.074 41.901 42.059 -0.141 0.000 1.006 335 L HN 0.819 nan 8.230 nan 0.000 0.454 336 G N 0.132 108.891 108.800 -0.067 0.000 2.561 336 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.203 336 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.203 336 G C -0.196 174.658 174.900 -0.078 0.000 1.101 336 G CA 0.111 45.173 45.100 -0.062 0.000 0.711 336 G HN 0.470 nan 8.290 nan 0.000 0.511 337 D N -1.234 119.120 120.400 -0.076 0.000 2.768 337 D HA 0.573 5.213 4.640 -0.001 0.000 0.327 337 D C 0.855 177.105 176.300 -0.083 0.000 1.302 337 D CA -0.176 53.764 54.000 -0.099 0.000 0.897 337 D CB 0.188 40.938 40.800 -0.084 0.000 1.420 337 D HN 0.532 nan 8.370 nan 0.000 0.494 338 L N 0.388 121.550 121.223 -0.103 0.000 1.989 338 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 338 L C 1.925 178.750 176.870 -0.075 0.000 1.071 338 L CA 2.053 56.844 54.840 -0.082 0.000 0.749 338 L CB -0.829 41.194 42.059 -0.060 0.000 0.890 338 L HN 0.583 nan 8.230 nan 0.000 0.431 339 E N -0.766 119.403 120.200 -0.051 0.000 2.085 339 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 339 E C 2.253 178.839 176.600 -0.023 0.000 0.994 339 E CA 1.595 57.975 56.400 -0.034 0.000 0.801 339 E CB -0.139 29.547 29.700 -0.023 0.000 0.743 339 E HN 0.526 nan 8.360 nan 0.000 0.453 340 R N 0.325 120.812 120.500 -0.021 0.000 2.090 340 R HA -0.016 4.324 4.340 -0.001 0.000 0.228 340 R C 2.409 178.723 176.300 0.024 0.000 1.110 340 R CA 0.865 56.965 56.100 -0.001 0.000 0.973 340 R CB -0.267 30.025 30.300 -0.014 0.000 0.869 340 R HN 0.085 nan 8.270 nan 0.000 0.440 341 A N 0.925 123.741 122.820 -0.007 0.000 1.883 341 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 341 A C 2.239 179.835 177.584 0.020 0.000 1.186 341 A CA 2.023 54.072 52.037 0.020 0.000 0.624 341 A CB -0.842 18.130 19.000 -0.047 0.000 0.822 341 A HN 0.319 nan 8.150 nan 0.000 0.444 342 S N -0.530 115.124 115.700 -0.076 0.000 2.359 342 S HA -0.254 4.216 4.470 -0.001 0.000 0.223 342 S C 2.226 176.818 174.600 -0.013 0.000 1.039 342 S CA 1.791 59.950 58.200 -0.068 0.000 1.042 342 S CB -0.384 62.775 63.200 -0.069 0.000 0.915 342 S HN 0.631 nan 8.310 nan 0.000 0.439 343 R N -0.701 119.810 120.500 0.018 0.000 2.073 343 R HA -0.064 4.276 4.340 -0.001 0.000 0.234 343 R C 2.175 178.505 176.300 0.049 0.000 1.134 343 R CA 1.611 57.726 56.100 0.026 0.000 0.952 343 R CB -0.812 29.508 30.300 0.034 0.000 0.850 343 R HN 0.543 nan 8.270 nan 0.000 0.433 344 F N 1.918 121.834 119.950 -0.057 0.000 2.065 344 F HA -0.214 4.313 4.527 -0.001 0.000 0.298 344 F C 1.974 177.723 175.800 -0.085 0.000 1.112 344 F CA 1.585 59.545 58.000 -0.066 0.000 1.212 344 F CB -0.312 38.657 39.000 -0.053 0.000 0.975 344 F HN -0.098 nan 8.300 nan 0.000 0.476 345 L N -0.548 120.612 121.223 -0.105 0.000 2.156 345 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 345 L C 2.738 179.486 176.870 -0.204 0.000 1.095 345 L CA 1.074 55.784 54.840 -0.217 0.000 0.770 345 L CB -1.419 40.620 42.059 -0.034 0.000 0.914 345 L HN 0.347 nan 8.230 nan 0.000 0.439 346 G N -0.432 108.290 108.800 -0.130 0.000 2.408 346 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.217 346 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.217 346 G C 1.713 176.528 174.900 -0.141 0.000 1.150 346 G CA 0.757 45.792 45.100 -0.107 0.000 0.776 346 G HN 0.445 nan 8.290 nan 0.000 0.542 347 A N -0.091 122.623 122.820 -0.176 0.000 1.970 347 A HA 0.350 4.670 4.320 -0.001 0.000 0.216 347 A C 1.304 178.733 177.584 -0.259 0.000 1.170 347 A CA -0.132 51.799 52.037 -0.177 0.000 0.645 347 A CB -0.159 18.766 19.000 -0.125 0.000 0.816 347 A HN 0.358 nan 8.150 nan 0.000 0.447 348 I N 1.026 121.334 120.570 -0.438 0.000 2.598 348 I HA 0.013 4.183 4.170 -0.001 0.000 0.284 348 I C 0.329 176.255 176.117 -0.318 0.000 1.140 348 I CA -0.187 60.810 61.300 -0.504 0.000 1.420 348 I CB 0.550 38.018 38.000 -0.887 0.000 1.387 348 I HN 0.216 nan 8.210 nan 0.000 0.553 349 R N 7.571 127.925 120.500 -0.243 0.000 4.779 349 R HA 0.333 4.673 4.340 -0.001 0.000 0.217 349 R C -0.990 175.224 176.300 -0.144 0.000 1.934 349 R CA 0.052 56.059 56.100 -0.156 0.000 1.623 349 R CB -0.385 29.854 30.300 -0.102 0.000 1.364 349 R HN 0.544 nan 8.270 nan 0.000 0.799 350 L N 0.434 121.547 121.223 -0.184 0.000 2.376 350 L HA 0.452 4.791 4.340 -0.001 0.000 0.258 350 L C -0.235 176.570 176.870 -0.108 0.000 1.013 350 L CA -1.287 53.472 54.840 -0.134 0.000 0.822 350 L CB 2.105 44.058 42.059 -0.177 0.000 1.388 350 L HN 0.072 nan 8.230 nan 0.000 0.413 351 L N 2.035 123.224 121.223 -0.057 0.000 2.456 351 L HA 0.180 4.520 4.340 -0.001 0.000 0.272 351 L C 0.013 176.865 176.870 -0.031 0.000 1.189 351 L CA 0.059 54.876 54.840 -0.038 0.000 0.846 351 L CB -0.018 42.032 42.059 -0.015 0.000 1.111 351 L HN 0.395 nan 8.230 nan 0.000 0.475 352 K N 3.460 123.845 120.400 -0.024 0.000 2.293 352 K HA 0.773 5.093 4.320 -0.001 0.000 0.267 352 K C -0.721 175.889 176.600 0.017 0.000 1.010 352 K CA -0.375 55.914 56.287 0.004 0.000 0.875 352 K CB 1.858 34.357 32.500 -0.002 0.000 1.106 352 K HN 0.703 nan 8.250 nan 0.000 0.450 353 A N 1.404 124.242 122.820 0.031 0.000 2.612 353 A HA 0.668 4.988 4.320 -0.001 0.000 0.293 353 A C -1.461 176.148 177.584 0.043 0.000 1.075 353 A CA -0.795 51.259 52.037 0.029 0.000 0.680 353 A CB 1.536 20.544 19.000 0.014 0.000 1.279 353 A HN 0.615 nan 8.150 nan 0.000 0.411 354 A N 1.656 124.502 122.820 0.044 0.000 3.016 354 A HA 0.617 4.936 4.320 -0.001 0.000 0.303 354 A C -0.105 177.507 177.584 0.048 0.000 1.507 354 A CA -0.165 51.908 52.037 0.060 0.000 1.196 354 A CB -0.927 18.108 19.000 0.058 0.000 1.169 354 A HN 0.929 nan 8.150 nan 0.000 0.544 355 N N 0.669 119.379 118.700 0.017 0.000 2.825 355 N HA 0.720 5.460 4.740 -0.001 0.000 0.253 355 N C -1.567 173.872 175.510 -0.119 0.000 1.426 355 N CA -0.475 52.551 53.050 -0.039 0.000 0.851 355 N CB 1.110 39.560 38.487 -0.061 0.000 1.470 355 N HN 0.275 nan 8.380 nan 0.000 0.517 356 L N -0.158 120.890 121.223 -0.293 0.000 2.393 356 L HA 0.654 4.994 4.340 -0.001 0.000 0.260 356 L C 0.979 177.263 176.870 -0.976 0.000 1.002 356 L CA -0.596 53.886 54.840 -0.596 0.000 0.818 356 L CB 2.155 43.729 42.059 -0.809 0.000 1.369 356 L HN 0.837 nan 8.230 nan 0.000 0.412 357 G N 0.446 108.487 108.800 -1.265 0.000 2.155 357 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.257 357 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.257 357 G C -0.027 174.487 174.900 -0.644 0.000 0.983 357 G CA 0.402 44.513 45.100 -1.648 0.000 0.676 357 G HN 0.687 nan 8.290 nan 0.000 0.528 358 D N -0.492 119.665 120.400 -0.405 0.000 2.360 358 D HA 0.618 5.257 4.640 -0.001 0.000 0.242 358 D C 1.615 177.834 176.300 -0.135 0.000 1.184 358 D CA 0.520 54.391 54.000 -0.214 0.000 0.930 358 D CB 0.637 41.355 40.800 -0.137 0.000 1.161 358 D HN 0.436 nan 8.370 nan 0.000 0.447 359 A N 2.222 124.986 122.820 -0.093 0.000 2.167 359 A HA 0.027 4.347 4.320 -0.001 0.000 0.214 359 A C 0.973 178.559 177.584 0.004 0.000 1.151 359 A CA 0.654 52.668 52.037 -0.040 0.000 0.735 359 A CB -0.048 18.947 19.000 -0.008 0.000 0.802 359 A HN 0.457 nan 8.150 nan 0.000 0.467 360 R N 0.237 120.738 120.500 0.000 0.000 2.368 360 R HA 0.414 4.754 4.340 -0.001 0.000 0.302 360 R C -0.548 175.765 176.300 0.022 0.000 1.002 360 R CA -0.181 55.930 56.100 0.018 0.000 0.929 360 R CB 0.949 31.257 30.300 0.013 0.000 1.073 360 R HN 0.110 nan 8.270 nan 0.000 0.464 361 T N 4.250 118.837 114.554 0.054 0.000 2.888 361 T HA 0.188 4.537 4.350 -0.001 0.000 0.301 361 T C -0.060 174.683 174.700 0.071 0.000 1.001 361 T CA 0.214 62.369 62.100 0.091 0.000 1.147 361 T CB 0.138 69.097 68.868 0.152 0.000 0.931 361 T HN 0.195 nan 8.240 nan 0.000 0.541 362 L N 3.987 125.256 121.223 0.077 0.000 2.381 362 L HA 0.617 4.956 4.340 -0.001 0.000 0.268 362 L C -0.891 176.040 176.870 0.102 0.000 0.997 362 L CA -1.064 53.810 54.840 0.057 0.000 0.818 362 L CB 1.753 43.826 42.059 0.023 0.000 1.310 362 L HN 0.396 nan 8.230 nan 0.000 0.416 363 L N 2.908 124.184 121.223 0.089 0.000 2.354 363 L HA 0.804 5.144 4.340 -0.001 0.000 0.269 363 L C -0.499 176.450 176.870 0.131 0.000 1.005 363 L CA -0.607 54.315 54.840 0.136 0.000 0.819 363 L CB 2.232 44.356 42.059 0.108 0.000 1.311 363 L HN 0.286 nan 8.230 nan 0.000 0.423 364 V N 0.010 120.032 119.914 0.179 0.000 3.216 364 V HA 0.427 4.547 4.120 -0.001 0.000 0.302 364 V C -1.757 174.489 176.094 0.253 0.000 1.286 364 V CA -0.583 61.827 62.300 0.184 0.000 1.048 364 V CB 2.450 34.365 31.823 0.154 0.000 1.081 364 V HN 0.858 nan 8.190 nan 0.000 0.442 365 H N 5.211 124.367 119.070 0.142 0.000 2.683 365 H HA 0.539 5.095 4.556 -0.001 0.000 0.270 365 H C -2.285 173.155 175.328 0.187 0.000 1.201 365 H CA -1.958 54.187 56.048 0.162 0.000 1.277 365 H CB 1.946 31.798 29.762 0.149 0.000 1.400 365 H HN 0.317 nan 8.280 nan 0.000 0.504 366 P HA -0.207 nan 4.420 nan 0.000 0.218 366 P C 1.553 178.867 177.300 0.024 0.000 1.148 366 P CA 0.993 64.135 63.100 0.069 0.000 0.822 366 P CB -0.013 31.751 31.700 0.106 0.000 0.784 367 W N 1.127 122.189 121.300 -0.396 0.000 2.363 367 W HA -0.129 4.531 4.660 -0.001 0.000 0.296 367 W C 1.082 177.542 176.519 -0.098 0.000 1.212 367 W CA 2.433 59.615 57.345 -0.271 0.000 1.260 367 W CB -0.629 28.613 29.460 -0.363 0.000 1.131 367 W HN 0.100 nan 8.180 nan 0.000 0.530 368 T N -3.406 111.237 114.554 0.148 0.000 3.069 368 T HA 0.080 4.429 4.350 -0.001 0.000 0.252 368 T C 1.192 175.955 174.700 0.105 0.000 1.053 368 T CA 1.005 63.226 62.100 0.201 0.000 0.964 368 T CB 0.160 69.280 68.868 0.420 0.000 1.005 368 T HN 0.144 nan 8.240 nan 0.000 0.532 369 T N -0.385 114.215 114.554 0.076 0.000 3.212 369 T HA 0.100 4.450 4.350 -0.001 0.000 0.157 369 T C 2.089 176.778 174.700 -0.018 0.000 0.908 369 T CA 0.831 62.957 62.100 0.042 0.000 0.954 369 T CB -0.379 68.539 68.868 0.083 0.000 1.709 369 T HN 0.202 nan 8.240 nan 0.000 0.335 370 T N 0.254 114.808 114.554 0.001 0.000 2.822 370 T HA -0.182 4.168 4.350 -0.001 0.000 0.270 370 T C 1.343 175.860 174.700 -0.305 0.000 1.064 370 T CA 2.021 64.051 62.100 -0.117 0.000 1.131 370 T CB -0.733 68.133 68.868 -0.004 0.000 0.858 370 T HN 0.682 nan 8.240 nan 0.000 0.483 371 H N 0.026 119.010 119.070 -0.142 0.000 2.784 371 H HA 0.412 4.968 4.556 -0.001 0.000 0.273 371 H C 2.122 177.310 175.328 -0.234 0.000 1.112 371 H CA 0.301 56.237 56.048 -0.187 0.000 1.162 371 H CB 0.510 30.178 29.762 -0.158 0.000 1.586 371 H HN 0.513 nan 8.280 nan 0.000 0.548 372 S N 0.171 115.794 115.700 -0.128 0.000 2.442 372 S HA -0.136 4.334 4.470 -0.001 0.000 0.236 372 S C 1.804 176.301 174.600 -0.171 0.000 1.007 372 S CA 0.735 58.831 58.200 -0.173 0.000 0.965 372 S CB 0.032 63.170 63.200 -0.102 0.000 0.773 372 S HN 0.353 nan 8.310 nan 0.000 0.504 373 R N 0.300 120.703 120.500 -0.162 0.000 2.310 373 R HA 0.365 4.704 4.340 -0.001 0.000 0.202 373 R C -0.216 175.997 176.300 -0.146 0.000 0.933 373 R CA 0.035 56.049 56.100 -0.143 0.000 1.054 373 R CB -0.094 30.121 30.300 -0.142 0.000 0.985 373 R HN 0.416 nan 8.270 nan 0.000 0.489 374 L N 2.058 123.181 121.223 -0.167 0.000 2.322 374 L HA 0.281 4.621 4.340 -0.001 0.000 0.279 374 L C -0.001 176.755 176.870 -0.189 0.000 1.036 374 L CA -1.042 53.705 54.840 -0.156 0.000 0.807 374 L CB 1.390 43.371 42.059 -0.130 0.000 1.226 374 L HN 0.018 nan 8.230 nan 0.000 0.433 375 K N 0.772 121.082 120.400 -0.150 0.000 2.559 375 K HA -0.043 4.276 4.320 -0.001 0.000 0.279 375 K C 0.421 176.902 176.600 -0.198 0.000 0.967 375 K CA -0.216 55.982 56.287 -0.148 0.000 1.000 375 K CB 0.573 33.019 32.500 -0.090 0.000 0.890 375 K HN 0.419 nan 8.250 nan 0.000 0.501 376 E N 1.808 121.886 120.200 -0.204 0.000 2.086 376 E HA -0.271 4.079 4.350 -0.001 0.000 0.200 376 E C 1.537 178.095 176.600 -0.069 0.000 1.012 376 E CA 2.304 58.577 56.400 -0.212 0.000 0.812 376 E CB -0.117 29.563 29.700 -0.033 0.000 0.743 376 E HN 0.714 nan 8.360 nan 0.000 0.453 377 E N 0.490 120.674 120.200 -0.027 0.000 2.070 377 E HA -0.245 4.105 4.350 -0.001 0.000 0.197 377 E C 1.987 178.571 176.600 -0.026 0.000 1.004 377 E CA 1.523 57.921 56.400 -0.002 0.000 0.805 377 E CB -0.510 29.184 29.700 -0.009 0.000 0.744 377 E HN 0.343 nan 8.360 nan 0.000 0.451 378 A N 0.872 123.652 122.820 -0.066 0.000 1.933 378 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 378 A C 2.085 179.621 177.584 -0.079 0.000 1.175 378 A CA 1.533 53.517 52.037 -0.088 0.000 0.628 378 A CB -0.357 18.574 19.000 -0.114 0.000 0.814 378 A HN 0.083 nan 8.150 nan 0.000 0.444 379 R N -0.559 119.877 120.500 -0.107 0.000 2.070 379 R HA -0.053 4.287 4.340 -0.001 0.000 0.232 379 R C 2.077 178.373 176.300 -0.007 0.000 1.138 379 R CA 1.600 57.633 56.100 -0.111 0.000 0.936 379 R CB -0.650 29.470 30.300 -0.299 0.000 0.839 379 R HN 0.500 nan 8.270 nan 0.000 0.429 380 L N 0.898 122.179 121.223 0.097 0.000 2.081 380 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 380 L C 2.516 179.403 176.870 0.028 0.000 1.080 380 L CA 1.235 56.137 54.840 0.103 0.000 0.754 380 L CB -0.445 41.689 42.059 0.125 0.000 0.893 380 L HN 0.259 nan 8.230 nan 0.000 0.433 381 Q N -0.550 119.250 119.800 0.001 0.000 2.369 381 Q HA -0.008 4.332 4.340 -0.001 0.000 0.206 381 Q C 1.948 177.934 176.000 -0.024 0.000 0.963 381 Q CA 1.163 56.960 55.803 -0.010 0.000 0.894 381 Q CB 0.127 28.853 28.738 -0.019 0.000 0.965 381 Q HN 0.540 nan 8.270 nan 0.000 0.475 382 A N -0.694 122.095 122.820 -0.052 0.000 2.345 382 A HA 0.406 4.726 4.320 -0.001 0.000 0.225 382 A C 1.332 178.862 177.584 -0.090 0.000 1.243 382 A CA 0.666 52.658 52.037 -0.075 0.000 0.875 382 A CB 0.089 19.012 19.000 -0.128 0.000 0.929 382 A HN 0.337 nan 8.150 nan 0.000 0.502 383 G N -1.163 107.604 108.800 -0.054 0.000 2.148 383 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.254 383 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.254 383 G C 0.125 174.996 174.900 -0.047 0.000 0.981 383 G CA 0.224 45.302 45.100 -0.037 0.000 0.670 383 G HN 0.829 nan 8.290 nan 0.000 0.528 384 V N 2.098 121.968 119.914 -0.072 0.000 2.406 384 V HA 0.673 4.792 4.120 -0.001 0.000 0.272 384 V C 0.841 177.041 176.094 0.175 0.000 1.043 384 V CA 0.409 62.697 62.300 -0.019 0.000 0.915 384 V CB 1.035 32.757 31.823 -0.167 0.000 0.988 384 V HN 0.767 nan 8.190 nan 0.000 0.466 385 T N 2.805 117.401 114.554 0.070 0.000 2.930 385 T HA 0.523 4.873 4.350 -0.001 0.000 0.290 385 T C -2.224 172.241 174.700 -0.391 0.000 1.052 385 T CA -2.222 59.796 62.100 -0.138 0.000 1.017 385 T CB 2.289 71.075 68.868 -0.137 0.000 1.137 385 T HN 0.323 nan 8.240 nan 0.000 0.511 386 P HA 0.115 nan 4.420 nan 0.000 0.225 386 P C 1.492 178.699 177.300 -0.156 0.000 1.148 386 P CA 0.701 63.316 63.100 -0.810 0.000 0.779 386 P CB -0.282 30.858 31.700 -0.933 0.000 0.780 387 G N -1.012 107.705 108.800 -0.138 0.000 2.777 387 G HA2 0.006 3.965 3.960 -0.001 0.000 0.211 387 G HA3 0.006 3.965 3.960 -0.001 0.000 0.211 387 G C 0.316 175.238 174.900 0.037 0.000 1.149 387 G CA -0.042 45.038 45.100 -0.034 0.000 0.785 387 G HN 0.203 nan 8.290 nan 0.000 0.536 388 L N 1.718 122.961 121.223 0.034 0.000 2.367 388 L HA 0.489 4.829 4.340 -0.001 0.000 0.275 388 L C -0.464 176.500 176.870 0.155 0.000 1.129 388 L CA -0.158 54.714 54.840 0.053 0.000 0.839 388 L CB 1.582 43.651 42.059 0.017 0.000 1.133 388 L HN -0.134 nan 8.230 nan 0.000 0.453 389 V N 6.150 126.151 119.914 0.145 0.000 2.487 389 V HA 0.502 4.622 4.120 -0.001 0.000 0.298 389 V C -0.030 176.183 176.094 0.198 0.000 1.028 389 V CA -0.788 61.644 62.300 0.220 0.000 0.860 389 V CB 1.664 33.636 31.823 0.247 0.000 0.991 389 V HN 0.761 nan 8.190 nan 0.000 0.427 390 R N 3.497 124.128 120.500 0.218 0.000 2.368 390 R HA 0.738 5.077 4.340 -0.001 0.000 0.302 390 R C -1.515 174.935 176.300 0.250 0.000 1.002 390 R CA -0.335 55.900 56.100 0.226 0.000 0.929 390 R CB 1.654 32.092 30.300 0.231 0.000 1.073 390 R HN 0.524 nan 8.270 nan 0.000 0.464 391 V N 3.058 123.128 119.914 0.259 0.000 2.444 391 V HA 0.255 4.374 4.120 -0.001 0.000 0.294 391 V C -0.317 175.917 176.094 0.233 0.000 1.022 391 V CA -0.672 61.793 62.300 0.274 0.000 0.850 391 V CB 1.590 33.608 31.823 0.325 0.000 0.992 391 V HN 0.811 nan 8.190 nan 0.000 0.426 392 S N 4.745 120.559 115.700 0.191 0.000 2.448 392 S HA 0.571 5.040 4.470 -0.001 0.000 0.320 392 S C -0.521 174.170 174.600 0.152 0.000 1.071 392 S CA -0.471 57.826 58.200 0.161 0.000 1.113 392 S CB 1.031 64.258 63.200 0.045 0.000 0.972 392 S HN 0.483 nan 8.310 nan 0.000 0.465 393 V N 5.684 125.706 119.914 0.180 0.000 2.530 393 V HA 0.535 4.655 4.120 -0.001 0.000 0.282 393 V C 1.357 177.530 176.094 0.132 0.000 1.048 393 V CA 0.209 62.600 62.300 0.151 0.000 0.997 393 V CB 0.953 32.852 31.823 0.126 0.000 0.987 393 V HN 0.990 nan 8.190 nan 0.000 0.477 394 G N 3.141 112.002 108.800 0.101 0.000 2.782 394 G HA2 0.476 4.436 3.960 -0.001 0.000 0.201 394 G HA3 0.476 4.436 3.960 -0.001 0.000 0.201 394 G C 0.393 175.334 174.900 0.069 0.000 1.374 394 G CA -0.668 44.474 45.100 0.070 0.000 1.039 394 G HN 0.595 nan 8.290 nan 0.000 0.576 395 L N -0.080 121.174 121.223 0.051 0.000 2.640 395 L HA 0.244 4.583 4.340 -0.001 0.000 0.230 395 L C 0.369 177.263 176.870 0.041 0.000 1.123 395 L CA -0.031 54.835 54.840 0.044 0.000 0.900 395 L CB -0.134 41.947 42.059 0.037 0.000 1.146 395 L HN 0.350 nan 8.230 nan 0.000 0.484 396 E N 0.646 120.876 120.200 0.049 0.000 2.438 396 E HA -0.043 4.306 4.350 -0.001 0.000 0.261 396 E C -0.204 176.419 176.600 0.038 0.000 1.103 396 E CA -0.080 56.349 56.400 0.047 0.000 0.959 396 E CB 0.287 30.024 29.700 0.062 0.000 0.958 396 E HN -0.017 nan 8.360 nan 0.000 0.447 397 D N 1.842 122.259 120.400 0.028 0.000 2.487 397 D HA -0.044 4.596 4.640 -0.001 0.000 0.243 397 D C -1.444 174.870 176.300 0.023 0.000 1.154 397 D CA -1.126 52.878 54.000 0.006 0.000 0.876 397 D CB 0.803 41.607 40.800 0.005 0.000 1.161 397 D HN 0.141 nan 8.370 nan 0.000 0.478 398 P HA -0.163 nan 4.420 nan 0.000 0.217 398 P C 1.530 178.907 177.300 0.129 0.000 1.150 398 P CA 1.066 64.174 63.100 0.014 0.000 0.832 398 P CB 0.183 31.731 31.700 -0.254 0.000 0.787 399 L N -0.361 120.882 121.223 0.034 0.000 2.109 399 L HA -0.107 4.232 4.340 -0.001 0.000 0.207 399 L C 2.327 179.275 176.870 0.130 0.000 1.086 399 L CA 1.413 56.330 54.840 0.128 0.000 0.760 399 L CB -1.061 41.028 42.059 0.049 0.000 0.910 399 L HN -0.080 nan 8.230 nan 0.000 0.437 400 D N 0.393 120.847 120.400 0.089 0.000 2.117 400 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 400 D C 2.402 178.784 176.300 0.137 0.000 0.987 400 D CA 1.231 55.285 54.000 0.091 0.000 0.829 400 D CB -0.119 40.720 40.800 0.065 0.000 0.961 400 D HN 0.254 nan 8.370 nan 0.000 0.460 401 L N 0.120 121.446 121.223 0.171 0.000 2.027 401 L HA -0.153 4.186 4.340 -0.001 0.000 0.206 401 L C 2.451 179.533 176.870 0.354 0.000 1.074 401 L CA 0.459 55.457 54.840 0.264 0.000 0.745 401 L CB -0.343 41.868 42.059 0.254 0.000 0.898 401 L HN 0.071 nan 8.230 nan 0.000 0.433 402 L N 0.253 121.636 121.223 0.267 0.000 2.042 402 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 402 L C 2.613 179.618 176.870 0.225 0.000 1.076 402 L CA 2.043 57.011 54.840 0.214 0.000 0.749 402 L CB -0.712 41.456 42.059 0.181 0.000 0.893 402 L HN 0.166 nan 8.230 nan 0.000 0.432 403 A N -0.529 122.402 122.820 0.185 0.000 1.908 403 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 403 A C 2.250 179.911 177.584 0.128 0.000 1.181 403 A CA 2.064 54.184 52.037 0.138 0.000 0.627 403 A CB -0.903 18.159 19.000 0.103 0.000 0.818 403 A HN 0.532 nan 8.150 nan 0.000 0.445 404 L N -2.277 119.027 121.223 0.135 0.000 2.056 404 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 404 L C 2.503 179.375 176.870 0.004 0.000 1.078 404 L CA 1.235 56.099 54.840 0.039 0.000 0.749 404 L CB -0.622 41.433 42.059 -0.007 0.000 0.901 404 L HN 0.378 nan 8.230 nan 0.000 0.433 405 F N 0.609 120.586 119.950 0.045 0.000 2.051 405 F HA -0.223 4.304 4.527 -0.001 0.000 0.296 405 F C 2.632 178.485 175.800 0.089 0.000 1.122 405 F CA 1.532 59.594 58.000 0.103 0.000 1.201 405 F CB -0.378 38.686 39.000 0.108 0.000 0.978 405 F HN 0.040 nan 8.300 nan 0.000 0.472 406 E N 0.011 120.360 120.200 0.247 0.000 2.065 406 E HA -0.331 4.019 4.350 -0.001 0.000 0.201 406 E C 2.176 178.855 176.600 0.132 0.000 1.016 406 E CA 1.769 58.267 56.400 0.163 0.000 0.818 406 E CB -0.469 29.324 29.700 0.156 0.000 0.749 406 E HN 0.533 nan 8.360 nan 0.000 0.453 407 E N 0.764 121.021 120.200 0.094 0.000 2.058 407 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 407 E C 2.091 178.710 176.600 0.031 0.000 0.997 407 E CA 1.184 57.616 56.400 0.053 0.000 0.801 407 E CB -0.120 29.593 29.700 0.022 0.000 0.746 407 E HN 0.213 nan 8.360 nan 0.000 0.450 408 A N 1.217 124.031 122.820 -0.010 0.000 1.933 408 A HA -0.136 4.183 4.320 -0.001 0.000 0.218 408 A C 2.276 179.937 177.584 0.129 0.000 1.175 408 A CA 1.219 53.220 52.037 -0.061 0.000 0.628 408 A CB -0.673 18.091 19.000 -0.393 0.000 0.814 408 A HN 0.352 nan 8.150 nan 0.000 0.444 409 L N -0.341 121.004 121.223 0.203 0.000 2.131 409 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 409 L C 2.610 179.572 176.870 0.153 0.000 1.092 409 L CA 1.563 56.499 54.840 0.160 0.000 0.759 409 L CB -0.441 41.545 42.059 -0.121 0.000 0.903 409 L HN 0.652 nan 8.230 nan 0.000 0.435 410 E N 0.927 121.209 120.200 0.136 0.000 2.267 410 E HA -0.244 4.105 4.350 -0.001 0.000 0.197 410 E C 1.861 178.507 176.600 0.076 0.000 0.998 410 E CA 1.204 57.668 56.400 0.107 0.000 0.830 410 E CB 0.100 29.851 29.700 0.084 0.000 0.751 410 E HN 0.490 nan 8.360 nan 0.000 0.491 411 A N 0.496 123.358 122.820 0.071 0.000 2.218 411 A HA 0.426 4.746 4.320 -0.001 0.000 0.209 411 A C 0.882 178.502 177.584 0.060 0.000 1.168 411 A CA 0.901 52.968 52.037 0.049 0.000 0.804 411 A CB 0.156 19.167 19.000 0.019 0.000 0.834 411 A HN 0.369 nan 8.150 nan 0.000 0.482 412 V N 0.000 119.964 119.914 0.084 0.000 2.409 412 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 412 V CA 0.000 nan 62.300 nan 0.000 1.235 412 V CB 0.000 nan 31.823 nan 0.000 1.184 412 V HN 0.000 nan 8.190 nan 0.000 0.556