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 1e0x_1_A DATA FIRST_RESID 1 DATA SEQUENCE AESTLGAAAA QSGRYFGTAI ASGRLSDSTY TSIAGREFNM VTAENEMKID DATA SEQUENCE ATEPQRGQFN FSSADRVYNW AVQNGKQVRG HTLAWHSQQP GWMQSLSGSA DATA SEQUENCE LRQAMIDHIN GVMAHYKGKI VQWDVVNEAF ADGSSGARRD SNLQRSGNDW DATA SEQUENCE IEVAFRTARA ADPSAKLcYN DYNVENWTWA KTQAMYNMVR DFKQRGVPID DATA SEQUENCE cVGFQSHFNS GSPYNSNFRT TLQNFAALGV DVAITELDIQ GAPASTYANV DATA SEQUENCE TNDcLAVSRc LGITVWGVRD SDSWRSEQTP LLFNNDGSKK AAYTAVLDAL DATA SEQUENCE NGGDSSEPP 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.575 177.584 -0.015 0.000 1.274 1 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 1 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 2 E N 0.111 120.298 120.200 -0.020 0.000 2.369 2 E HA 0.538 4.879 4.350 -0.015 0.000 0.270 2 E C 0.388 176.977 176.600 -0.019 0.000 0.909 2 E CA 0.002 56.392 56.400 -0.017 0.000 0.775 2 E CB 1.936 31.627 29.700 -0.015 0.000 1.270 2 E HN 0.814 9.174 8.360 -0.000 0.000 0.445 3 S N -1.118 114.578 115.700 -0.007 0.000 2.556 3 S HA 0.067 4.528 4.470 -0.015 0.000 0.216 3 S C 0.719 175.342 174.600 0.039 0.000 0.970 3 S CA -0.069 58.138 58.200 0.012 0.000 0.912 3 S CB -0.185 63.020 63.200 0.009 0.000 0.790 3 S HN 0.509 8.819 8.310 -0.000 0.000 0.504 4 T N -1.397 113.163 114.554 0.010 0.000 2.906 4 T HA 0.641 4.982 4.350 -0.015 0.000 0.295 4 T C 0.839 175.499 174.700 -0.067 0.000 1.061 4 T CA -0.971 61.137 62.100 0.013 0.000 1.000 4 T CB 1.210 70.069 68.868 -0.014 0.000 1.103 4 T HN 0.007 8.247 8.240 -0.000 0.000 0.486 5 L N 1.296 122.432 121.223 -0.144 0.000 2.017 5 L HA 0.095 4.426 4.340 -0.015 0.000 0.208 5 L C 2.988 179.822 176.870 -0.059 0.000 1.073 5 L CA 1.869 56.535 54.840 -0.290 0.000 0.745 5 L CB -1.027 40.687 42.059 -0.574 0.000 0.894 5 L HN 0.979 9.209 8.230 -0.000 0.000 0.432 6 G N -0.493 108.338 108.800 0.052 0.000 2.418 6 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.217 6 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.217 6 G C 1.762 176.725 174.900 0.104 0.000 1.158 6 G CA 0.804 46.009 45.100 0.174 0.000 0.771 6 G HN 0.467 8.757 8.290 -0.000 0.000 0.545 7 A N 1.049 123.894 122.820 0.041 0.000 1.930 7 A HA 0.336 4.647 4.320 -0.015 0.000 0.217 7 A C 2.783 180.377 177.584 0.017 0.000 1.175 7 A CA 2.072 54.124 52.037 0.025 0.000 0.627 7 A CB -0.653 18.350 19.000 0.005 0.000 0.815 7 A HN 0.713 8.863 8.150 -0.000 0.000 0.443 8 A N -0.066 122.750 122.820 -0.007 0.000 1.898 8 A HA 0.197 4.508 4.320 -0.015 0.000 0.216 8 A C 2.494 180.083 177.584 0.008 0.000 1.181 8 A CA 1.927 53.951 52.037 -0.022 0.000 0.620 8 A CB -0.986 17.968 19.000 -0.076 0.000 0.819 8 A HN 1.017 9.167 8.150 -0.000 0.000 0.442 9 A N -0.066 122.782 122.820 0.047 0.000 1.933 9 A HA 0.151 4.462 4.320 -0.015 0.000 0.218 9 A C 2.434 180.060 177.584 0.070 0.000 1.175 9 A CA 1.996 54.086 52.037 0.088 0.000 0.628 9 A CB -0.945 18.170 19.000 0.193 0.000 0.814 9 A HN 1.102 9.252 8.150 -0.000 0.000 0.444 10 A N -0.681 122.185 122.820 0.076 0.000 2.121 10 A HA -0.156 4.155 4.320 -0.015 0.000 0.218 10 A C 1.984 179.593 177.584 0.041 0.000 1.154 10 A CA 1.416 53.493 52.037 0.067 0.000 0.679 10 A CB -0.509 18.531 19.000 0.066 0.000 0.795 10 A HN 0.690 8.840 8.150 -0.000 0.000 0.458 11 Q N 0.131 119.948 119.800 0.028 0.000 2.181 11 Q HA -0.127 4.204 4.340 -0.015 0.000 0.205 11 Q C 1.782 177.790 176.000 0.015 0.000 0.980 11 Q CA 1.651 57.464 55.803 0.016 0.000 0.862 11 Q CB -0.210 28.532 28.738 0.006 0.000 0.905 11 Q HN 0.787 9.057 8.270 -0.000 0.000 0.429 12 S N -1.490 114.220 115.700 0.017 0.000 2.582 12 S HA 0.372 4.832 4.470 -0.015 0.000 0.234 12 S C 1.050 175.661 174.600 0.018 0.000 0.961 12 S CA 0.036 58.243 58.200 0.012 0.000 0.953 12 S CB 0.759 63.962 63.200 0.005 0.000 0.800 12 S HN 0.463 8.773 8.310 -0.000 0.000 0.471 13 G N 1.327 110.145 108.800 0.030 0.000 2.160 13 G HA2 -0.255 3.695 3.960 -0.015 0.000 0.251 13 G HA3 -0.255 3.695 3.960 -0.015 0.000 0.251 13 G C 0.061 174.993 174.900 0.053 0.000 1.008 13 G CA 0.103 45.228 45.100 0.042 0.000 0.724 13 G HN 0.619 8.909 8.290 -0.000 0.000 0.514 14 R N -1.209 119.319 120.500 0.046 0.000 2.875 14 R HA 0.725 5.056 4.340 -0.015 0.000 0.251 14 R C -0.019 176.342 176.300 0.101 0.000 1.123 14 R CA -0.723 55.386 56.100 0.015 0.000 1.064 14 R CB 0.931 31.198 30.300 -0.056 0.000 1.205 14 R HN 0.465 8.735 8.270 -0.000 0.000 0.503 15 Y N -1.545 118.809 120.300 0.091 0.000 2.562 15 Y HA 0.671 5.213 4.550 -0.013 0.000 0.343 15 Y C -1.193 174.811 175.900 0.173 0.000 1.025 15 Y CA -1.521 56.650 58.100 0.118 0.000 1.082 15 Y CB 1.132 39.637 38.460 0.075 0.000 1.264 15 Y HN 0.406 8.686 8.280 -0.000 0.000 0.478 16 F N 1.842 122.003 119.950 0.352 0.000 2.553 16 F HA 0.768 5.285 4.527 -0.017 0.000 0.335 16 F C 0.007 176.121 175.800 0.524 0.000 1.148 16 F CA -0.751 57.455 58.000 0.344 0.000 0.963 16 F CB 1.317 40.456 39.000 0.232 0.000 1.217 16 F HN 0.936 9.236 8.300 -0.000 0.000 0.441 17 G N 2.162 111.142 108.800 0.300 0.000 2.735 17 G HA2 0.619 4.570 3.960 -0.015 0.000 0.301 17 G HA3 0.619 4.570 3.960 -0.015 0.000 0.301 17 G C -1.289 173.443 174.900 -0.279 0.000 1.279 17 G CA -0.636 44.560 45.100 0.161 0.000 1.019 17 G HN 0.583 8.873 8.290 -0.000 0.000 0.497 18 T N -1.858 112.377 114.554 -0.533 0.000 2.804 18 T HA 0.651 4.992 4.350 -0.015 0.000 0.290 18 T C -0.962 173.453 174.700 -0.475 0.000 1.099 18 T CA 0.087 61.756 62.100 -0.719 0.000 1.011 18 T CB 1.445 69.500 68.868 -1.355 0.000 1.291 18 T HN 1.178 9.418 8.240 -0.000 0.000 0.523 19 A N 2.521 124.987 122.820 -0.590 0.000 2.260 19 A HA 0.698 5.009 4.320 -0.015 0.000 0.314 19 A C -0.550 176.736 177.584 -0.497 0.000 1.257 19 A CA -0.576 51.000 52.037 -0.768 0.000 0.871 19 A CB 0.071 18.049 19.000 -1.703 0.000 1.166 19 A HN 0.627 8.777 8.150 -0.000 0.000 0.522 20 I N 2.092 122.466 120.570 -0.328 0.000 2.359 20 I HA 0.477 4.638 4.170 -0.015 0.000 0.294 20 I C 0.643 176.679 176.117 -0.135 0.000 0.987 20 I CA -0.283 60.914 61.300 -0.171 0.000 1.225 20 I CB 1.284 39.184 38.000 -0.167 0.000 1.366 20 I HN 0.698 8.908 8.210 -0.000 0.000 0.466 21 A N 4.269 127.037 122.820 -0.087 0.000 2.260 21 A HA 0.456 4.767 4.320 -0.015 0.000 0.314 21 A C 1.082 178.580 177.584 -0.144 0.000 1.257 21 A CA -0.228 51.732 52.037 -0.127 0.000 0.871 21 A CB 0.685 19.584 19.000 -0.169 0.000 1.166 21 A HN 0.840 8.990 8.150 -0.000 0.000 0.522 22 S N 2.693 118.344 115.700 -0.082 0.000 2.383 22 S HA -0.146 4.315 4.470 -0.015 0.000 0.229 22 S C 1.796 176.335 174.600 -0.101 0.000 1.030 22 S CA 1.674 59.836 58.200 -0.064 0.000 1.002 22 S CB -0.736 62.468 63.200 0.006 0.000 0.829 22 S HN 1.241 9.551 8.310 -0.000 0.000 0.467 23 G N 1.388 110.121 108.800 -0.112 0.000 2.509 23 G HA2 -0.072 3.879 3.960 -0.015 0.000 0.218 23 G HA3 -0.072 3.879 3.960 -0.015 0.000 0.218 23 G C 1.562 176.339 174.900 -0.205 0.000 1.124 23 G CA 0.145 45.170 45.100 -0.124 0.000 0.776 23 G HN 0.584 8.874 8.290 -0.000 0.000 0.547 24 R N -0.441 119.853 120.500 -0.344 0.000 2.334 24 R HA 0.315 4.646 4.340 -0.015 0.000 0.216 24 R C 1.647 177.692 176.300 -0.425 0.000 0.905 24 R CA -0.267 55.489 56.100 -0.574 0.000 1.064 24 R CB 0.022 29.554 30.300 -1.281 0.000 1.046 24 R HN 0.314 8.584 8.270 -0.000 0.000 0.508 25 L N 0.881 121.952 121.223 -0.253 0.000 2.551 25 L HA -0.043 4.288 4.340 -0.015 0.000 0.228 25 L C 1.754 178.575 176.870 -0.082 0.000 1.153 25 L CA 0.884 55.612 54.840 -0.187 0.000 0.851 25 L CB -0.086 41.846 42.059 -0.212 0.000 0.959 25 L HN 0.181 8.411 8.230 -0.000 0.000 0.451 26 S N -2.938 112.714 115.700 -0.080 0.000 2.575 26 S HA -0.003 4.458 4.470 -0.015 0.000 0.215 26 S C 0.607 175.191 174.600 -0.026 0.000 0.966 26 S CA -0.454 57.727 58.200 -0.031 0.000 0.911 26 S CB -0.169 63.013 63.200 -0.029 0.000 0.780 26 S HN 0.249 8.559 8.310 -0.000 0.000 0.514 27 D N 2.815 123.188 120.400 -0.045 0.000 2.411 27 D HA 0.246 4.877 4.640 -0.015 0.000 0.225 27 D C 1.263 177.592 176.300 0.048 0.000 1.156 27 D CA 0.059 54.049 54.000 -0.017 0.000 0.874 27 D CB 1.432 42.188 40.800 -0.073 0.000 1.034 27 D HN 0.256 8.626 8.370 -0.000 0.000 0.502 28 S N 2.047 117.771 115.700 0.041 0.000 2.419 28 S HA -0.168 4.293 4.470 -0.015 0.000 0.233 28 S C 1.673 176.305 174.600 0.053 0.000 1.016 28 S CA 1.082 59.315 58.200 0.055 0.000 0.974 28 S CB -0.288 62.936 63.200 0.040 0.000 0.786 28 S HN 0.464 8.774 8.310 -0.000 0.000 0.492 29 T N 0.962 115.543 114.554 0.046 0.000 2.737 29 T HA -0.051 4.290 4.350 -0.015 0.000 0.265 29 T C 1.408 176.129 174.700 0.034 0.000 1.038 29 T CA 1.443 63.559 62.100 0.026 0.000 1.144 29 T CB -0.624 68.257 68.868 0.022 0.000 0.866 29 T HN 0.549 8.789 8.240 -0.000 0.000 0.434 30 Y N 2.562 122.817 120.300 -0.075 0.000 2.097 30 Y HA -0.259 4.283 4.550 -0.015 0.000 0.282 30 Y C 2.823 178.667 175.900 -0.094 0.000 1.152 30 Y CA 2.129 60.167 58.100 -0.104 0.000 1.136 30 Y CB -0.797 37.587 38.460 -0.126 0.000 0.975 30 Y HN 0.337 8.617 8.280 -0.000 0.000 0.498 31 T N -3.294 111.303 114.554 0.072 0.000 2.867 31 T HA -0.124 4.217 4.350 -0.015 0.000 0.268 31 T C 2.084 176.860 174.700 0.127 0.000 1.057 31 T CA 1.335 63.477 62.100 0.070 0.000 1.136 31 T CB -0.729 68.249 68.868 0.183 0.000 0.874 31 T HN 0.278 8.518 8.240 -0.000 0.000 0.466 32 S N 1.404 117.135 115.700 0.052 0.000 2.356 32 S HA 0.079 4.540 4.470 -0.015 0.000 0.223 32 S C 1.955 176.523 174.600 -0.052 0.000 1.032 32 S CA 1.225 59.435 58.200 0.017 0.000 1.005 32 S CB -0.454 62.742 63.200 -0.006 0.000 0.867 32 S HN 0.509 8.819 8.310 -0.000 0.000 0.449 33 I N 1.530 122.011 120.570 -0.147 0.000 2.163 33 I HA -0.190 3.971 4.170 -0.015 0.000 0.240 33 I C 2.706 178.697 176.117 -0.211 0.000 1.081 33 I CA 1.149 62.270 61.300 -0.299 0.000 1.353 33 I CB -0.524 37.147 38.000 -0.548 0.000 1.054 33 I HN 0.256 8.466 8.210 -0.000 0.000 0.407 34 A N 0.949 123.691 122.820 -0.131 0.000 1.902 34 A HA -0.136 4.175 4.320 -0.015 0.000 0.217 34 A C 2.423 180.219 177.584 0.354 0.000 1.181 34 A CA 1.978 54.117 52.037 0.171 0.000 0.623 34 A CB -1.451 17.454 19.000 -0.159 0.000 0.818 34 A HN 0.481 8.631 8.150 -0.000 0.000 0.443 35 G N -0.810 108.188 108.800 0.330 0.000 2.402 35 G HA2 -0.229 3.722 3.960 -0.015 0.000 0.216 35 G HA3 -0.229 3.722 3.960 -0.015 0.000 0.216 35 G C 1.744 176.668 174.900 0.040 0.000 1.162 35 G CA 0.977 46.198 45.100 0.202 0.000 0.777 35 G HN 0.558 8.848 8.290 -0.000 0.000 0.539 36 R N 0.123 120.619 120.500 -0.007 0.000 2.075 36 R HA -0.020 4.311 4.340 -0.015 0.000 0.232 36 R C 2.082 178.324 176.300 -0.098 0.000 1.126 36 R CA 1.355 57.421 56.100 -0.056 0.000 0.963 36 R CB -0.024 30.231 30.300 -0.075 0.000 0.858 36 R HN 0.222 8.492 8.270 -0.000 0.000 0.435 37 E N -0.716 119.354 120.200 -0.218 0.000 2.364 37 E HA 0.051 4.391 4.350 -0.015 0.000 0.196 37 E C -0.391 175.906 176.600 -0.505 0.000 0.990 37 E CA 0.357 56.498 56.400 -0.432 0.000 0.886 37 E CB 0.407 29.672 29.700 -0.724 0.000 0.866 37 E HN 0.115 8.475 8.360 -0.000 0.000 0.493 38 F N 1.670 121.710 119.950 0.149 0.000 2.532 38 F HA 0.240 4.758 4.527 -0.016 0.000 0.321 38 F C 1.064 176.933 175.800 0.115 0.000 1.089 38 F CA -1.181 56.931 58.000 0.186 0.000 0.926 38 F CB 1.000 40.113 39.000 0.188 0.000 1.168 38 F HN -0.191 8.109 8.300 -0.000 0.000 0.459 39 N N 1.115 120.009 118.700 0.324 0.000 2.187 39 N HA 0.272 5.003 4.740 -0.015 0.000 0.212 39 N C -0.586 174.982 175.510 0.097 0.000 1.152 39 N CA 0.029 53.179 53.050 0.166 0.000 0.872 39 N CB 0.705 39.276 38.487 0.141 0.000 1.025 39 N HN 0.604 8.984 8.380 -0.000 0.000 0.514 40 M N 0.378 120.048 119.600 0.116 0.000 2.421 40 M HA 0.532 5.003 4.480 -0.015 0.000 0.287 40 M C -2.160 174.112 176.300 -0.047 0.000 1.183 40 M CA -0.723 54.533 55.300 -0.073 0.000 0.916 40 M CB 2.527 34.955 32.600 -0.287 0.000 1.701 40 M HN -0.180 8.110 8.290 -0.000 0.000 0.470 41 V N 2.794 122.649 119.914 -0.098 0.000 2.656 41 V HA 0.766 4.876 4.120 -0.015 0.000 0.307 41 V C -0.711 175.305 176.094 -0.130 0.000 1.051 41 V CA -0.544 61.708 62.300 -0.081 0.000 0.893 41 V CB 2.432 34.270 31.823 0.025 0.000 0.999 41 V HN 0.903 9.093 8.190 -0.000 0.000 0.426 42 T N 3.474 117.938 114.554 -0.150 0.000 2.807 42 T HA 0.654 4.995 4.350 -0.015 0.000 0.279 42 T C 0.095 174.715 174.700 -0.133 0.000 0.993 42 T CA -0.282 61.747 62.100 -0.119 0.000 0.970 42 T CB 1.658 70.496 68.868 -0.049 0.000 0.950 42 T HN 0.952 9.192 8.240 -0.000 0.000 0.441 43 A N 2.010 124.804 122.820 -0.044 0.000 2.488 43 A HA 0.222 4.533 4.320 -0.015 0.000 0.249 43 A C 1.402 178.983 177.584 -0.005 0.000 1.083 43 A CA -0.293 51.737 52.037 -0.012 0.000 0.768 43 A CB -0.018 19.024 19.000 0.071 0.000 1.017 43 A HN 1.060 9.210 8.150 -0.000 0.000 0.496 44 E N 1.839 121.966 120.200 -0.122 0.000 2.077 44 E HA -0.172 4.169 4.350 -0.015 0.000 0.193 44 E C 0.642 177.361 176.600 0.198 0.000 0.989 44 E CA 1.642 57.963 56.400 -0.132 0.000 0.800 44 E CB 0.078 29.614 29.700 -0.274 0.000 0.746 44 E HN 0.806 9.166 8.360 -0.000 0.000 0.452 45 N N -1.163 117.635 118.700 0.163 0.000 2.028 45 N HA -0.009 4.722 4.740 -0.015 0.000 0.230 45 N C 0.585 176.214 175.510 0.198 0.000 1.354 45 N CA 0.156 53.336 53.050 0.216 0.000 0.855 45 N CB 0.541 39.123 38.487 0.159 0.000 1.111 45 N HN -0.009 8.371 8.380 -0.000 0.000 0.480 46 E N 0.575 120.877 120.200 0.170 0.000 2.418 46 E HA 0.139 4.480 4.350 -0.015 0.000 0.197 46 E C 1.160 177.904 176.600 0.240 0.000 1.026 46 E CA 0.789 57.296 56.400 0.179 0.000 0.862 46 E CB 0.051 29.846 29.700 0.158 0.000 0.799 46 E HN 0.317 8.677 8.360 -0.000 0.000 0.518 47 M N -0.057 119.703 119.600 0.266 0.000 2.404 47 M HA 0.163 4.633 4.480 -0.015 0.000 0.271 47 M C 0.009 176.523 176.300 0.357 0.000 1.128 47 M CA -0.052 55.455 55.300 0.345 0.000 0.982 47 M CB 0.552 33.333 32.600 0.301 0.000 1.445 47 M HN -0.156 8.134 8.290 -0.000 0.000 0.495 48 K N 0.463 121.037 120.400 0.290 0.000 2.118 48 K HA 0.272 4.583 4.320 -0.015 0.000 0.240 48 K C 1.054 177.799 176.600 0.243 0.000 1.035 48 K CA -0.254 56.190 56.287 0.261 0.000 0.899 48 K CB 1.203 33.861 32.500 0.264 0.000 1.085 48 K HN 0.062 8.312 8.250 -0.000 0.000 0.498 49 I N 1.154 121.805 120.570 0.136 0.000 2.252 49 I HA -0.290 3.871 4.170 -0.015 0.000 0.245 49 I C 1.918 178.028 176.117 -0.011 0.000 1.102 49 I CA 1.298 62.567 61.300 -0.053 0.000 1.385 49 I CB -0.474 37.312 38.000 -0.357 0.000 1.064 49 I HN 0.708 8.918 8.210 -0.000 0.000 0.414 50 D N 1.901 122.281 120.400 -0.033 0.000 2.144 50 D HA -0.180 4.451 4.640 -0.015 0.000 0.199 50 D C 2.042 178.372 176.300 0.050 0.000 0.984 50 D CA 1.581 55.566 54.000 -0.024 0.000 0.834 50 D CB -0.472 40.292 40.800 -0.058 0.000 0.955 50 D HN 0.334 8.704 8.370 -0.000 0.000 0.465 51 A N 0.426 123.297 122.820 0.085 0.000 1.968 51 A HA -0.054 4.257 4.320 -0.015 0.000 0.217 51 A C 2.330 179.962 177.584 0.079 0.000 1.169 51 A CA 2.257 54.348 52.037 0.090 0.000 0.638 51 A CB -0.901 18.174 19.000 0.124 0.000 0.812 51 A HN 0.467 8.617 8.150 -0.000 0.000 0.446 52 T N -3.485 111.153 114.554 0.141 0.000 3.057 52 T HA 0.166 4.507 4.350 -0.015 0.000 0.254 52 T C 0.628 175.366 174.700 0.065 0.000 1.094 52 T CA 0.885 63.019 62.100 0.056 0.000 1.088 52 T CB 0.097 69.110 68.868 0.241 0.000 0.934 52 T HN 0.444 8.684 8.240 -0.000 0.000 0.497 53 E N 1.696 121.996 120.200 0.167 0.000 3.626 53 E HA 0.230 4.571 4.350 -0.015 0.000 0.245 53 E C -2.174 174.547 176.600 0.202 0.000 1.236 53 E CA -1.923 54.517 56.400 0.067 0.000 1.072 53 E CB 1.383 31.232 29.700 0.248 0.000 1.309 53 E HN 0.129 8.489 8.360 -0.000 0.000 0.400 54 P HA -0.113 4.307 4.420 -0.000 0.000 0.220 54 P C -0.112 177.324 177.300 0.226 0.000 1.148 54 P CA 0.876 64.066 63.100 0.149 0.000 0.803 54 P CB 0.446 32.172 31.700 0.043 0.000 0.782 55 Q N -1.386 118.387 119.800 -0.046 0.000 2.413 55 Q HA 0.417 4.748 4.340 -0.015 0.000 0.276 55 Q C -0.297 175.131 176.000 -0.953 0.000 1.099 55 Q CA -0.802 54.742 55.803 -0.431 0.000 0.814 55 Q CB 1.819 30.379 28.738 -0.296 0.000 1.379 55 Q HN -0.143 8.127 8.270 -0.000 0.000 0.436 56 R N 0.503 119.978 120.500 -1.708 0.000 2.480 56 R HA 0.231 4.562 4.340 -0.015 0.000 0.303 56 R C 0.558 176.352 176.300 -0.843 0.000 0.985 56 R CA 1.538 56.626 56.100 -1.687 0.000 1.051 56 R CB -0.346 29.075 30.300 -1.465 0.000 0.935 56 R HN 0.905 9.175 8.270 -0.000 0.000 0.410 57 G N 3.367 111.713 108.800 -0.757 0.000 2.166 57 G HA2 -0.257 3.694 3.960 -0.015 0.000 0.260 57 G HA3 -0.257 3.694 3.960 -0.015 0.000 0.260 57 G C -0.220 174.382 174.900 -0.498 0.000 0.986 57 G CA 0.261 45.028 45.100 -0.554 0.000 0.683 57 G HN 0.583 8.873 8.290 -0.000 0.000 0.527 58 Q N -0.066 119.385 119.800 -0.582 0.000 2.721 58 Q HA 0.491 4.822 4.340 -0.015 0.000 0.257 58 Q C 0.060 175.847 176.000 -0.355 0.000 1.070 58 Q CA -0.505 55.097 55.803 -0.336 0.000 0.910 58 Q CB 0.076 28.660 28.738 -0.256 0.000 1.163 58 Q HN 0.360 8.630 8.270 -0.000 0.000 0.501 59 F N 1.480 121.339 119.950 -0.152 0.000 2.496 59 F HA 0.185 4.703 4.527 -0.015 0.000 0.344 59 F C 1.214 176.769 175.800 -0.408 0.000 1.155 59 F CA 0.144 57.948 58.000 -0.326 0.000 1.302 59 F CB 0.576 39.371 39.000 -0.342 0.000 1.159 59 F HN 0.205 8.505 8.300 -0.000 0.000 0.595 60 N N 2.179 120.620 118.700 -0.432 0.000 2.519 60 N HA 0.212 4.943 4.740 -0.015 0.000 0.286 60 N C -1.028 174.211 175.510 -0.452 0.000 1.079 60 N CA -0.381 52.483 53.050 -0.310 0.000 0.878 60 N CB 0.477 38.887 38.487 -0.129 0.000 1.375 60 N HN 0.370 8.750 8.380 -0.000 0.000 0.514 61 F N 1.102 121.049 119.950 -0.006 0.000 2.654 61 F HA 0.305 4.823 4.527 -0.015 0.000 0.303 61 F C 1.990 177.849 175.800 0.098 0.000 1.099 61 F CA -0.262 57.742 58.000 0.006 0.000 1.270 61 F CB 0.389 39.196 39.000 -0.322 0.000 1.024 61 F HN 0.346 8.646 8.300 -0.000 0.000 0.548 62 S N 0.297 116.108 115.700 0.186 0.000 2.353 62 S HA -0.228 4.232 4.470 -0.015 0.000 0.222 62 S C 2.391 177.101 174.600 0.182 0.000 1.035 62 S CA 2.092 60.394 58.200 0.170 0.000 1.025 62 S CB -0.482 62.781 63.200 0.105 0.000 0.902 62 S HN 0.538 8.848 8.310 -0.000 0.000 0.440 63 S N 2.019 117.813 115.700 0.158 0.000 2.387 63 S HA 0.127 4.588 4.470 -0.015 0.000 0.226 63 S C 2.052 176.774 174.600 0.204 0.000 1.026 63 S CA 0.816 59.105 58.200 0.148 0.000 0.972 63 S CB -0.573 62.692 63.200 0.107 0.000 0.814 63 S HN 0.487 8.797 8.310 -0.000 0.000 0.477 64 A N 2.483 125.469 122.820 0.277 0.000 1.908 64 A HA -0.135 4.175 4.320 -0.015 0.000 0.218 64 A C 1.949 179.785 177.584 0.421 0.000 1.181 64 A CA 1.828 54.083 52.037 0.362 0.000 0.627 64 A CB -0.941 18.376 19.000 0.529 0.000 0.818 64 A HN 0.494 8.644 8.150 -0.000 0.000 0.445 65 D N -0.673 119.995 120.400 0.447 0.000 2.178 65 D HA -0.084 4.547 4.640 -0.015 0.000 0.202 65 D C 2.190 178.699 176.300 0.348 0.000 0.974 65 D CA 0.797 55.060 54.000 0.437 0.000 0.841 65 D CB -0.330 40.696 40.800 0.377 0.000 0.953 65 D HN 0.439 8.809 8.370 -0.000 0.000 0.478 66 R N 0.347 121.006 120.500 0.265 0.000 2.081 66 R HA -0.074 4.257 4.340 -0.015 0.000 0.235 66 R C 2.310 178.753 176.300 0.238 0.000 1.131 66 R CA 0.758 56.988 56.100 0.217 0.000 0.960 66 R CB -0.411 29.980 30.300 0.152 0.000 0.856 66 R HN 0.124 8.394 8.270 -0.000 0.000 0.436 67 V N 0.153 120.202 119.914 0.225 0.000 2.307 67 V HA -0.260 3.850 4.120 -0.015 0.000 0.245 67 V C 1.988 178.233 176.094 0.253 0.000 1.045 67 V CA 1.667 64.091 62.300 0.208 0.000 1.024 67 V CB -0.690 31.213 31.823 0.135 0.000 0.651 67 V HN 0.264 8.454 8.190 -0.000 0.000 0.449 68 Y N 1.980 122.380 120.300 0.165 0.000 2.128 68 Y HA -0.280 4.261 4.550 -0.015 0.000 0.284 68 Y C 2.558 178.542 175.900 0.139 0.000 1.154 68 Y CA 2.185 60.364 58.100 0.131 0.000 1.149 68 Y CB -0.368 38.210 38.460 0.197 0.000 0.976 68 Y HN 0.286 8.566 8.280 -0.000 0.000 0.505 69 N N -0.499 118.333 118.700 0.219 0.000 2.120 69 N HA -0.241 4.490 4.740 -0.015 0.000 0.188 69 N C 1.576 177.109 175.510 0.039 0.000 1.024 69 N CA 1.630 54.748 53.050 0.114 0.000 0.852 69 N CB -1.205 37.407 38.487 0.207 0.000 1.003 69 N HN 0.660 9.040 8.380 -0.000 0.000 0.424 70 W N 2.009 123.295 121.300 -0.023 0.000 2.338 70 W HA -0.104 4.546 4.660 -0.016 0.000 0.304 70 W C 2.333 178.802 176.519 -0.083 0.000 1.212 70 W CA 2.312 59.640 57.345 -0.029 0.000 1.264 70 W CB -0.355 29.109 29.460 0.007 0.000 1.142 70 W HN 0.087 8.267 8.180 -0.000 0.000 0.512 71 A N 0.198 123.031 122.820 0.021 0.000 1.858 71 A HA -0.209 4.102 4.320 -0.015 0.000 0.216 71 A C 2.080 179.437 177.584 -0.378 0.000 1.190 71 A CA 3.079 55.001 52.037 -0.192 0.000 0.617 71 A CB -1.601 17.340 19.000 -0.097 0.000 0.827 71 A HN 0.596 8.746 8.150 -0.000 0.000 0.443 72 V N -3.085 116.574 119.914 -0.424 0.000 2.719 72 V HA -0.132 3.979 4.120 -0.015 0.000 0.252 72 V C 1.935 177.865 176.094 -0.273 0.000 1.065 72 V CA 1.787 63.868 62.300 -0.365 0.000 1.086 72 V CB -0.839 30.728 31.823 -0.428 0.000 0.700 72 V HN 0.467 8.657 8.190 -0.000 0.000 0.467 73 Q N 1.059 120.693 119.800 -0.277 0.000 2.297 73 Q HA 0.014 4.345 4.340 -0.015 0.000 0.204 73 Q C 1.293 177.113 176.000 -0.300 0.000 0.962 73 Q CA 0.995 56.660 55.803 -0.229 0.000 0.879 73 Q CB -0.275 28.357 28.738 -0.177 0.000 0.947 73 Q HN 0.729 8.999 8.270 -0.000 0.000 0.462 74 N N -0.655 117.771 118.700 -0.458 0.000 2.251 74 N HA 0.089 4.820 4.740 -0.015 0.000 0.217 74 N C 0.539 175.848 175.510 -0.336 0.000 1.124 74 N CA 0.671 53.426 53.050 -0.491 0.000 0.843 74 N CB 1.312 39.264 38.487 -0.892 0.000 1.024 74 N HN 0.289 8.669 8.380 -0.000 0.000 0.501 75 G N 1.111 109.758 108.800 -0.254 0.000 2.143 75 G HA2 -0.295 3.656 3.960 -0.015 0.000 0.249 75 G HA3 -0.295 3.656 3.960 -0.015 0.000 0.249 75 G C 0.010 174.824 174.900 -0.142 0.000 0.981 75 G CA 0.306 45.306 45.100 -0.166 0.000 0.665 75 G HN 0.276 8.566 8.290 -0.000 0.000 0.528 76 K N 0.449 120.738 120.400 -0.185 0.000 2.098 76 K HA 0.652 4.963 4.320 -0.015 0.000 0.258 76 K C 0.761 177.272 176.600 -0.148 0.000 0.973 76 K CA -0.446 55.765 56.287 -0.126 0.000 0.898 76 K CB 1.040 33.482 32.500 -0.096 0.000 1.057 76 K HN 0.400 8.650 8.250 -0.000 0.000 0.447 77 Q N 0.241 119.965 119.800 -0.127 0.000 2.249 77 Q HA 0.491 4.822 4.340 -0.015 0.000 0.226 77 Q C -0.764 175.130 176.000 -0.177 0.000 0.983 77 Q CA -0.899 54.816 55.803 -0.147 0.000 0.930 77 Q CB 1.333 29.985 28.738 -0.143 0.000 1.193 77 Q HN 0.208 8.478 8.270 -0.000 0.000 0.508 78 V N 1.230 121.040 119.914 -0.174 0.000 2.588 78 V HA 0.390 4.501 4.120 -0.015 0.000 0.304 78 V C -0.644 175.290 176.094 -0.266 0.000 1.042 78 V CA -0.797 61.390 62.300 -0.188 0.000 0.877 78 V CB 1.773 33.532 31.823 -0.107 0.000 0.996 78 V HN 0.635 8.825 8.190 -0.000 0.000 0.425 79 R N 2.561 122.892 120.500 -0.282 0.000 2.265 79 R HA 0.567 4.897 4.340 -0.015 0.000 0.319 79 R C 0.445 176.497 176.300 -0.414 0.000 1.006 79 R CA -0.397 55.513 56.100 -0.316 0.000 0.880 79 R CB 1.647 31.826 30.300 -0.201 0.000 1.077 79 R HN 0.901 9.171 8.270 -0.000 0.000 0.454 80 G N 1.476 109.798 108.800 -0.795 0.000 2.370 80 G HA2 0.178 4.129 3.960 -0.015 0.000 0.272 80 G HA3 0.178 4.129 3.960 -0.015 0.000 0.272 80 G C -0.955 173.773 174.900 -0.287 0.000 1.208 80 G CA 0.007 44.375 45.100 -1.220 0.000 0.856 80 G HN 0.672 8.962 8.290 -0.000 0.000 0.500 81 H N -0.037 119.008 119.070 -0.040 0.000 3.096 81 H HA 0.590 5.137 4.556 -0.015 0.000 0.335 81 H C -0.835 174.636 175.328 0.238 0.000 0.990 81 H CA -0.272 55.849 56.048 0.123 0.000 1.393 81 H CB 2.014 31.806 29.762 0.051 0.000 1.742 81 H HN 0.665 8.945 8.280 -0.000 0.000 0.501 82 T N 4.625 119.138 114.554 -0.068 0.000 2.932 82 T HA 0.265 4.606 4.350 -0.015 0.000 0.318 82 T C 0.267 175.025 174.700 0.097 0.000 1.265 82 T CA -0.662 61.354 62.100 -0.140 0.000 1.036 82 T CB 1.107 69.519 68.868 -0.759 0.000 1.209 82 T HN 0.574 8.814 8.240 -0.000 0.000 0.484 83 L N 2.027 123.302 121.223 0.087 0.000 2.354 83 L HA 0.583 4.914 4.340 -0.015 0.000 0.212 83 L C 1.073 178.039 176.870 0.160 0.000 1.091 83 L CA 0.213 55.116 54.840 0.105 0.000 0.828 83 L CB 0.121 42.110 42.059 -0.117 0.000 0.973 83 L HN 0.723 8.953 8.230 -0.000 0.000 0.461 84 A N -0.803 122.103 122.820 0.144 0.000 2.442 84 A HA 0.545 4.856 4.320 -0.015 0.000 0.284 84 A C -2.118 175.692 177.584 0.376 0.000 1.058 84 A CA -0.222 51.960 52.037 0.242 0.000 0.738 84 A CB 0.965 20.162 19.000 0.329 0.000 1.242 84 A HN 0.127 8.277 8.150 -0.000 0.000 0.421 85 W N 4.084 125.411 121.300 0.045 0.000 3.363 85 W HA 0.365 5.016 4.660 -0.014 0.000 0.306 85 W C 0.665 177.135 176.519 -0.083 0.000 1.253 85 W CA -0.882 56.482 57.345 0.032 0.000 1.195 85 W CB 0.850 30.258 29.460 -0.087 0.000 1.366 85 W HN 0.843 9.023 8.180 -0.000 0.000 0.551 86 H N 0.989 120.087 119.070 0.046 0.000 2.457 86 H HA 0.074 4.621 4.556 -0.015 0.000 0.294 86 H C 0.217 175.252 175.328 -0.487 0.000 1.064 86 H CA 1.267 57.178 56.048 -0.228 0.000 1.330 86 H CB -0.104 29.586 29.762 -0.120 0.000 1.395 86 H HN 0.088 8.368 8.280 -0.000 0.000 0.541 87 S N 0.004 114.674 115.700 -1.718 0.000 2.608 87 S HA 0.197 4.657 4.470 -0.015 0.000 0.291 87 S C -0.047 173.788 174.600 -1.275 0.000 1.146 87 S CA -0.412 56.814 58.200 -1.624 0.000 1.043 87 S CB 0.838 62.718 63.200 -2.200 0.000 1.037 87 S HN 0.558 8.868 8.310 -0.000 0.000 0.520 88 Q N 0.445 119.784 119.800 -0.769 0.000 2.475 88 Q HA -0.200 4.131 4.340 -0.015 0.000 0.280 88 Q C -0.569 175.233 176.000 -0.331 0.000 1.234 88 Q CA 0.659 56.197 55.803 -0.440 0.000 0.873 88 Q CB -1.380 27.171 28.738 -0.313 0.000 1.256 88 Q HN 0.688 8.958 8.270 -0.000 0.000 0.475 89 Q N 1.175 120.749 119.800 -0.376 0.000 2.293 89 Q HA 0.306 4.637 4.340 -0.015 0.000 0.251 89 Q C -1.948 173.835 176.000 -0.361 0.000 0.930 89 Q CA -1.718 53.856 55.803 -0.382 0.000 0.893 89 Q CB 0.740 29.228 28.738 -0.417 0.000 1.215 89 Q HN 0.095 8.365 8.270 -0.000 0.000 0.425 90 P HA -0.040 4.380 4.420 -0.000 0.000 0.272 90 P C 0.334 177.351 177.300 -0.472 0.000 1.223 90 P CA 0.058 62.929 63.100 -0.382 0.000 0.784 90 P CB 0.633 32.115 31.700 -0.362 0.000 0.923 91 G N 1.882 110.536 108.800 -0.245 0.000 2.442 91 G HA2 -0.245 3.706 3.960 -0.015 0.000 0.219 91 G HA3 -0.245 3.706 3.960 -0.015 0.000 0.219 91 G C 1.347 176.144 174.900 -0.172 0.000 1.141 91 G CA 0.394 45.391 45.100 -0.172 0.000 0.763 91 G HN 0.754 9.044 8.290 -0.000 0.000 0.554 92 W N -0.027 121.224 121.300 -0.082 0.000 2.374 92 W HA 0.035 4.686 4.660 -0.015 0.000 0.288 92 W C 2.044 178.514 176.519 -0.083 0.000 1.218 92 W CA 1.001 58.299 57.345 -0.078 0.000 1.245 92 W CB -0.824 28.587 29.460 -0.081 0.000 1.126 92 W HN 0.280 8.460 8.180 -0.000 0.000 0.545 93 M N 1.417 120.361 119.600 -1.094 0.000 2.288 93 M HA -0.136 4.335 4.480 -0.015 0.000 0.266 93 M C 2.390 178.422 176.300 -0.446 0.000 1.072 93 M CA 1.576 56.317 55.300 -0.931 0.000 1.132 93 M CB -0.230 31.574 32.600 -1.328 0.000 1.386 93 M HN -0.008 8.282 8.290 -0.000 0.000 0.432 94 Q N -0.222 119.342 119.800 -0.393 0.000 2.170 94 Q HA -0.144 4.187 4.340 -0.015 0.000 0.203 94 Q C 1.888 177.790 176.000 -0.163 0.000 0.976 94 Q CA 1.875 57.527 55.803 -0.251 0.000 0.858 94 Q CB -0.191 28.418 28.738 -0.215 0.000 0.907 94 Q HN 0.664 8.934 8.270 -0.000 0.000 0.433 95 S N -0.500 115.127 115.700 -0.123 0.000 2.603 95 S HA 0.095 4.556 4.470 -0.015 0.000 0.220 95 S C 0.682 175.258 174.600 -0.040 0.000 0.967 95 S CA -0.182 57.982 58.200 -0.059 0.000 0.920 95 S CB -0.038 63.148 63.200 -0.023 0.000 0.773 95 S HN 0.118 8.428 8.310 -0.000 0.000 0.529 96 L N 2.505 123.695 121.223 -0.054 0.000 2.379 96 L HA 0.609 4.940 4.340 -0.015 0.000 0.269 96 L C 0.336 177.172 176.870 -0.056 0.000 1.084 96 L CA -0.523 54.302 54.840 -0.026 0.000 0.802 96 L CB 1.605 43.669 42.059 0.007 0.000 1.175 96 L HN 0.381 8.611 8.230 -0.000 0.000 0.448 97 S N 0.163 115.842 115.700 -0.035 0.000 2.651 97 S HA 0.856 5.317 4.470 -0.015 0.000 0.279 97 S C 0.071 174.656 174.600 -0.025 0.000 1.148 97 S CA -0.190 57.983 58.200 -0.046 0.000 0.837 97 S CB 1.592 64.767 63.200 -0.041 0.000 1.138 97 S HN 1.127 9.437 8.310 -0.000 0.000 0.478 98 G N 1.876 110.659 108.800 -0.027 0.000 2.614 98 G HA2 -0.320 3.631 3.960 -0.015 0.000 0.303 98 G HA3 -0.320 3.631 3.960 -0.015 0.000 0.303 98 G C 1.023 175.926 174.900 0.006 0.000 1.270 98 G CA 0.648 45.744 45.100 -0.007 0.000 0.988 98 G HN 1.526 9.816 8.290 -0.000 0.000 0.551 99 S N 0.466 116.175 115.700 0.016 0.000 2.400 99 S HA 0.018 4.479 4.470 -0.015 0.000 0.232 99 S C 2.805 177.424 174.600 0.031 0.000 1.025 99 S CA 2.194 60.410 58.200 0.026 0.000 0.993 99 S CB -0.617 62.598 63.200 0.024 0.000 0.808 99 S HN 1.500 9.810 8.310 -0.000 0.000 0.478 100 A N 1.295 124.132 122.820 0.028 0.000 1.902 100 A HA -0.035 4.275 4.320 -0.015 0.000 0.217 100 A C 2.111 179.727 177.584 0.054 0.000 1.181 100 A CA 1.344 53.405 52.037 0.041 0.000 0.623 100 A CB -0.662 18.361 19.000 0.038 0.000 0.818 100 A HN 0.432 8.582 8.150 -0.000 0.000 0.443 101 L N -0.336 120.904 121.223 0.027 0.000 2.056 101 L HA -0.090 4.241 4.340 -0.015 0.000 0.207 101 L C 2.374 179.263 176.870 0.031 0.000 1.078 101 L CA 2.417 57.264 54.840 0.011 0.000 0.749 101 L CB -0.622 41.407 42.059 -0.050 0.000 0.901 101 L HN 0.378 8.608 8.230 -0.000 0.000 0.433 102 R N -0.225 120.296 120.500 0.035 0.000 2.083 102 R HA -0.234 4.097 4.340 -0.015 0.000 0.237 102 R C 2.356 178.703 176.300 0.078 0.000 1.137 102 R CA 2.091 58.227 56.100 0.061 0.000 0.951 102 R CB -0.822 29.515 30.300 0.062 0.000 0.851 102 R HN 0.552 8.822 8.270 -0.000 0.000 0.434 103 Q N -0.334 119.510 119.800 0.074 0.000 2.079 103 Q HA 0.048 4.379 4.340 -0.015 0.000 0.200 103 Q C 1.865 177.935 176.000 0.116 0.000 0.974 103 Q CA 2.138 57.990 55.803 0.083 0.000 0.840 103 Q CB -0.458 28.319 28.738 0.066 0.000 0.898 103 Q HN 0.421 8.691 8.270 -0.000 0.000 0.430 104 A N 0.213 123.118 122.820 0.141 0.000 1.969 104 A HA -0.155 4.156 4.320 -0.015 0.000 0.218 104 A C 2.115 179.837 177.584 0.228 0.000 1.169 104 A CA 1.534 53.706 52.037 0.225 0.000 0.635 104 A CB -0.654 18.537 19.000 0.318 0.000 0.810 104 A HN 0.597 8.747 8.150 -0.000 0.000 0.445 105 M N -0.534 119.157 119.600 0.152 0.000 2.099 105 M HA -0.095 4.376 4.480 -0.015 0.000 0.262 105 M C 1.952 178.358 176.300 0.177 0.000 1.067 105 M CA 1.832 57.224 55.300 0.152 0.000 1.124 105 M CB -0.279 32.388 32.600 0.112 0.000 1.353 105 M HN 0.417 8.707 8.290 -0.000 0.000 0.410 106 I N 0.518 121.170 120.570 0.137 0.000 2.226 106 I HA -0.319 3.842 4.170 -0.015 0.000 0.245 106 I C 1.728 177.915 176.117 0.117 0.000 1.100 106 I CA 1.246 62.608 61.300 0.103 0.000 1.374 106 I CB -0.632 37.416 38.000 0.081 0.000 1.057 106 I HN 0.299 8.509 8.210 -0.000 0.000 0.413 107 D N -0.421 120.075 120.400 0.160 0.000 2.144 107 D HA -0.233 4.398 4.640 -0.015 0.000 0.199 107 D C 1.983 178.458 176.300 0.291 0.000 0.984 107 D CA 1.396 55.514 54.000 0.196 0.000 0.834 107 D CB -0.355 40.568 40.800 0.205 0.000 0.955 107 D HN 0.433 8.803 8.370 -0.000 0.000 0.465 108 H N 0.342 119.569 119.070 0.261 0.000 2.357 108 H HA 0.028 4.574 4.556 -0.015 0.000 0.301 108 H C 2.139 177.571 175.328 0.172 0.000 1.082 108 H CA 1.182 57.431 56.048 0.336 0.000 1.342 108 H CB -0.274 29.647 29.762 0.265 0.000 1.389 108 H HN 0.039 8.319 8.280 -0.000 0.000 0.511 109 I N 0.253 120.857 120.570 0.057 0.000 2.163 109 I HA -0.332 3.829 4.170 -0.015 0.000 0.243 109 I C 2.065 178.067 176.117 -0.191 0.000 1.085 109 I CA 1.913 63.142 61.300 -0.118 0.000 1.347 109 I CB -0.395 37.562 38.000 -0.072 0.000 1.044 109 I HN 0.425 8.635 8.210 -0.000 0.000 0.408 110 N N 0.258 118.899 118.700 -0.098 0.000 2.120 110 N HA -0.133 4.597 4.740 -0.015 0.000 0.188 110 N C 1.956 177.347 175.510 -0.198 0.000 1.024 110 N CA 1.152 54.133 53.050 -0.114 0.000 0.852 110 N CB -0.286 38.176 38.487 -0.042 0.000 1.003 110 N HN 0.405 8.785 8.380 -0.000 0.000 0.424 111 G N 0.478 109.110 108.800 -0.280 0.000 2.402 111 G HA2 -0.154 3.797 3.960 -0.015 0.000 0.216 111 G HA3 -0.154 3.797 3.960 -0.015 0.000 0.216 111 G C 1.565 176.125 174.900 -0.566 0.000 1.162 111 G CA 0.483 45.175 45.100 -0.680 0.000 0.777 111 G HN 0.104 8.394 8.290 -0.000 0.000 0.539 112 V N 1.028 120.707 119.914 -0.391 0.000 2.323 112 V HA -0.106 4.005 4.120 -0.015 0.000 0.244 112 V C 2.871 178.924 176.094 -0.068 0.000 1.041 112 V CA 1.806 64.063 62.300 -0.071 0.000 1.025 112 V CB -0.371 31.417 31.823 -0.057 0.000 0.656 112 V HN 0.339 8.529 8.190 -0.000 0.000 0.451 113 M N -0.064 119.398 119.600 -0.230 0.000 2.229 113 M HA -0.101 4.370 4.480 -0.015 0.000 0.264 113 M C 2.320 178.578 176.300 -0.070 0.000 1.063 113 M CA 1.811 57.022 55.300 -0.148 0.000 1.114 113 M CB -0.525 31.907 32.600 -0.280 0.000 1.387 113 M HN 0.400 8.690 8.290 -0.000 0.000 0.420 114 A N -0.636 122.093 122.820 -0.150 0.000 1.930 114 A HA -0.224 4.087 4.320 -0.015 0.000 0.217 114 A C 1.801 179.251 177.584 -0.224 0.000 1.175 114 A CA 1.940 53.885 52.037 -0.154 0.000 0.627 114 A CB -1.002 17.901 19.000 -0.162 0.000 0.815 114 A HN 0.534 8.684 8.150 -0.000 0.000 0.443 115 H N -2.228 116.552 119.070 -0.484 0.000 2.421 115 H HA -0.111 4.436 4.556 -0.015 0.000 0.298 115 H C 0.507 175.341 175.328 -0.824 0.000 1.087 115 H CA 1.782 57.334 56.048 -0.827 0.000 1.330 115 H CB -0.126 28.683 29.762 -1.589 0.000 1.388 115 H HN 0.536 8.816 8.280 -0.000 0.000 0.526 116 Y N 0.301 120.469 120.300 -0.220 0.000 2.658 116 Y HA 0.223 4.765 4.550 -0.015 0.000 0.276 116 Y C 0.443 176.300 175.900 -0.072 0.000 1.167 116 Y CA -0.527 57.462 58.100 -0.184 0.000 1.230 116 Y CB -0.028 38.466 38.460 0.057 0.000 1.144 116 Y HN -0.030 8.250 8.280 -0.000 0.000 0.529 117 K N 0.683 121.073 120.400 -0.017 0.000 2.436 117 K HA 0.243 4.554 4.320 -0.015 0.000 0.282 117 K C 1.198 177.811 176.600 0.021 0.000 1.044 117 K CA 1.197 57.497 56.287 0.022 0.000 1.028 117 K CB -0.140 32.339 32.500 -0.035 0.000 0.919 117 K HN 0.610 8.860 8.250 -0.000 0.000 0.474 118 G N 3.774 112.615 108.800 0.068 0.000 2.179 118 G HA2 -0.284 3.667 3.960 -0.015 0.000 0.260 118 G HA3 -0.284 3.667 3.960 -0.015 0.000 0.260 118 G C 0.508 175.448 174.900 0.067 0.000 0.977 118 G CA 0.593 45.725 45.100 0.055 0.000 0.641 118 G HN 0.726 9.016 8.290 -0.000 0.000 0.533 119 K N -0.700 119.753 120.400 0.088 0.000 2.373 119 K HA 0.367 4.678 4.320 -0.015 0.000 0.200 119 K C 0.365 177.049 176.600 0.140 0.000 1.054 119 K CA 0.016 56.382 56.287 0.131 0.000 1.065 119 K CB 0.921 33.439 32.500 0.030 0.000 0.886 119 K HN 0.318 8.568 8.250 -0.000 0.000 0.546 120 I N 1.590 122.194 120.570 0.056 0.000 2.389 120 I HA 0.060 4.221 4.170 -0.015 0.000 0.288 120 I C 1.290 177.353 176.117 -0.090 0.000 0.999 120 I CA -0.276 60.958 61.300 -0.110 0.000 1.129 120 I CB 1.637 39.414 38.000 -0.372 0.000 1.288 120 I HN -0.209 8.001 8.210 -0.000 0.000 0.444 121 V N 6.648 126.496 119.914 -0.111 0.000 2.358 121 V HA -0.061 4.050 4.120 -0.015 0.000 0.246 121 V C 0.772 176.842 176.094 -0.040 0.000 1.047 121 V CA 1.823 64.088 62.300 -0.059 0.000 1.035 121 V CB 0.147 31.923 31.823 -0.078 0.000 0.658 121 V HN 0.808 8.998 8.190 -0.000 0.000 0.452 122 Q N -1.716 118.014 119.800 -0.116 0.000 2.331 122 Q HA 0.338 4.669 4.340 -0.015 0.000 0.272 122 Q C -1.992 173.927 176.000 -0.134 0.000 1.062 122 Q CA -0.403 55.378 55.803 -0.036 0.000 0.806 122 Q CB 2.247 30.978 28.738 -0.013 0.000 1.312 122 Q HN 0.493 8.763 8.270 -0.000 0.000 0.431 123 W N 1.682 123.006 121.300 0.041 0.000 2.529 123 W HA 0.302 4.953 4.660 -0.015 0.000 0.321 123 W C -0.504 176.028 176.519 0.021 0.000 1.047 123 W CA -0.443 56.916 57.345 0.023 0.000 1.216 123 W CB 1.471 30.934 29.460 0.006 0.000 1.357 123 W HN 0.433 8.613 8.180 -0.000 0.000 0.489 124 D N 3.409 123.985 120.400 0.294 0.000 2.416 124 D HA 0.036 4.667 4.640 -0.015 0.000 0.240 124 D C 1.122 177.488 176.300 0.110 0.000 1.250 124 D CA 0.263 54.353 54.000 0.150 0.000 0.967 124 D CB 1.143 41.999 40.800 0.093 0.000 1.059 124 D HN 0.121 8.491 8.370 -0.000 0.000 0.512 125 V N 1.960 121.878 119.914 0.007 0.000 2.323 125 V HA -0.102 4.009 4.120 -0.015 0.000 0.244 125 V C 1.071 177.033 176.094 -0.219 0.000 1.041 125 V CA 0.985 63.148 62.300 -0.228 0.000 1.025 125 V CB 0.144 31.543 31.823 -0.708 0.000 0.656 125 V HN 0.264 8.454 8.190 -0.000 0.000 0.451 126 V N 0.673 120.476 119.914 -0.184 0.000 2.604 126 V HA 0.519 4.630 4.120 -0.015 0.000 0.305 126 V C -0.801 175.184 176.094 -0.182 0.000 1.043 126 V CA -0.715 61.566 62.300 -0.031 0.000 0.888 126 V CB 1.843 33.724 31.823 0.098 0.000 0.995 126 V HN 0.428 8.618 8.190 -0.000 0.000 0.429 127 N N 2.008 120.622 118.700 -0.144 0.000 2.258 127 N HA 0.393 5.124 4.740 -0.015 0.000 0.299 127 N C -0.349 175.137 175.510 -0.041 0.000 1.047 127 N CA -0.496 52.325 53.050 -0.382 0.000 0.814 127 N CB 1.532 39.480 38.487 -0.899 0.000 1.413 127 N HN 0.754 9.134 8.380 -0.000 0.000 0.478 128 E N 0.880 121.071 120.200 -0.015 0.000 2.320 128 E HA -0.242 4.098 4.350 -0.015 0.000 0.234 128 E C -0.184 176.656 176.600 0.399 0.000 1.183 128 E CA 0.591 57.175 56.400 0.306 0.000 0.713 128 E CB -1.392 28.703 29.700 0.659 0.000 1.226 128 E HN 0.585 8.945 8.360 -0.000 0.000 0.382 129 A N -0.226 122.801 122.820 0.346 0.000 2.178 129 A HA 0.197 4.508 4.320 -0.015 0.000 0.211 129 A C 0.369 177.857 177.584 -0.159 0.000 1.157 129 A CA 0.289 52.446 52.037 0.200 0.000 0.780 129 A CB 0.213 19.263 19.000 0.083 0.000 0.828 129 A HN 0.218 8.368 8.150 -0.000 0.000 0.476 130 F N 0.024 120.085 119.950 0.184 0.000 2.385 130 F HA 0.585 5.104 4.527 -0.014 0.000 0.336 130 F C 0.907 176.717 175.800 0.017 0.000 1.100 130 F CA -0.753 57.291 58.000 0.073 0.000 1.116 130 F CB 1.162 40.182 39.000 0.034 0.000 1.166 130 F HN 0.130 8.430 8.300 -0.000 0.000 0.511 131 A N 2.333 125.259 122.820 0.177 0.000 2.425 131 A HA 0.215 4.526 4.320 -0.015 0.000 0.242 131 A C -0.084 177.538 177.584 0.063 0.000 1.077 131 A CA -0.645 51.444 52.037 0.087 0.000 0.781 131 A CB 0.011 19.052 19.000 0.068 0.000 1.020 131 A HN 0.686 8.836 8.150 -0.000 0.000 0.494 132 D N 0.067 120.490 120.400 0.038 0.000 2.344 132 D HA 0.491 5.122 4.640 -0.015 0.000 0.244 132 D C 0.911 177.204 176.300 -0.011 0.000 1.134 132 D CA 1.651 55.658 54.000 0.012 0.000 0.930 132 D CB 1.136 41.971 40.800 0.059 0.000 1.175 132 D HN 1.147 9.517 8.370 -0.000 0.000 0.437 133 G N 0.247 109.012 108.800 -0.057 0.000 2.472 133 G HA2 -0.191 3.760 3.960 -0.015 0.000 0.205 133 G HA3 -0.191 3.760 3.960 -0.015 0.000 0.205 133 G C 0.196 175.055 174.900 -0.069 0.000 1.270 133 G CA -0.028 45.031 45.100 -0.069 0.000 0.974 133 G HN 0.362 8.652 8.290 -0.000 0.000 0.542 134 S N 0.274 115.945 115.700 -0.048 0.000 2.568 134 S HA 0.285 4.746 4.470 -0.015 0.000 0.232 134 S C 2.189 176.781 174.600 -0.014 0.000 0.975 134 S CA 1.040 59.219 58.200 -0.036 0.000 0.949 134 S CB 0.346 63.525 63.200 -0.035 0.000 0.829 134 S HN 1.557 9.867 8.310 -0.000 0.000 0.479 135 S N 1.433 117.133 115.700 -0.000 0.000 2.406 135 S HA 0.128 4.588 4.470 -0.015 0.000 0.228 135 S C 1.840 176.455 174.600 0.025 0.000 1.020 135 S CA 0.922 59.131 58.200 0.015 0.000 0.965 135 S CB -0.705 62.511 63.200 0.027 0.000 0.798 135 S HN 0.794 9.104 8.310 -0.000 0.000 0.488 136 G N 1.122 109.941 108.800 0.032 0.000 2.155 136 G HA2 -0.103 3.848 3.960 -0.015 0.000 0.257 136 G HA3 -0.103 3.848 3.960 -0.015 0.000 0.257 136 G C 0.220 175.213 174.900 0.155 0.000 0.983 136 G CA 0.271 45.393 45.100 0.037 0.000 0.676 136 G HN 1.270 9.560 8.290 -0.000 0.000 0.528 137 A N -0.242 122.675 122.820 0.161 0.000 2.271 137 A HA 0.802 5.113 4.320 -0.015 0.000 0.288 137 A C 0.803 178.512 177.584 0.209 0.000 1.094 137 A CA -0.530 51.605 52.037 0.163 0.000 0.828 137 A CB 0.550 19.603 19.000 0.088 0.000 1.091 137 A HN 0.328 8.478 8.150 -0.000 0.000 0.493 138 R N 0.951 121.515 120.500 0.107 0.000 2.491 138 R HA 0.105 4.436 4.340 -0.015 0.000 0.283 138 R C 0.448 176.767 176.300 0.032 0.000 1.072 138 R CA -0.199 55.900 56.100 -0.002 0.000 1.048 138 R CB 0.278 30.588 30.300 0.017 0.000 0.983 138 R HN 0.796 9.066 8.270 -0.000 0.000 0.450 139 R N 1.693 122.200 120.500 0.011 0.000 2.585 139 R HA -0.110 4.221 4.340 -0.015 0.000 0.275 139 R C -0.445 175.843 176.300 -0.021 0.000 1.018 139 R CA 0.068 56.161 56.100 -0.012 0.000 1.072 139 R CB 0.322 30.585 30.300 -0.062 0.000 0.953 139 R HN 0.440 8.710 8.270 -0.000 0.000 0.419 140 D N 2.181 122.554 120.400 -0.044 0.000 2.343 140 D HA 0.127 4.758 4.640 -0.015 0.000 0.255 140 D C -1.098 175.147 176.300 -0.093 0.000 1.187 140 D CA 0.292 54.261 54.000 -0.051 0.000 0.875 140 D CB 0.740 41.516 40.800 -0.039 0.000 1.136 140 D HN 0.559 8.929 8.370 -0.000 0.000 0.469 141 S N 2.441 118.074 115.700 -0.111 0.000 2.656 141 S HA 0.285 4.746 4.470 -0.015 0.000 0.273 141 S C 0.891 175.379 174.600 -0.187 0.000 1.168 141 S CA -0.803 57.311 58.200 -0.144 0.000 0.817 141 S CB 0.866 63.975 63.200 -0.153 0.000 1.146 141 S HN 0.387 8.697 8.310 -0.000 0.000 0.475 142 N N 1.217 119.799 118.700 -0.197 0.000 2.166 142 N HA -0.103 4.627 4.740 -0.015 0.000 0.186 142 N C 1.549 176.876 175.510 -0.305 0.000 1.019 142 N CA 1.580 54.507 53.050 -0.206 0.000 0.856 142 N CB -1.101 37.275 38.487 -0.185 0.000 0.993 142 N HN 0.645 9.025 8.380 -0.000 0.000 0.426 143 L N -0.242 120.687 121.223 -0.490 0.000 2.017 143 L HA -0.158 4.173 4.340 -0.015 0.000 0.208 143 L C 2.819 179.096 176.870 -0.988 0.000 1.073 143 L CA 1.533 55.861 54.840 -0.854 0.000 0.745 143 L CB -0.563 40.622 42.059 -1.456 0.000 0.894 143 L HN 0.230 8.460 8.230 -0.000 0.000 0.432 144 Q N 0.426 119.781 119.800 -0.741 0.000 2.167 144 Q HA -0.164 4.167 4.340 -0.015 0.000 0.202 144 Q C 2.169 178.117 176.000 -0.086 0.000 0.970 144 Q CA 1.514 57.178 55.803 -0.232 0.000 0.855 144 Q CB -0.038 28.718 28.738 0.030 0.000 0.911 144 Q HN 0.292 8.562 8.270 -0.000 0.000 0.438 145 R N -0.288 120.134 120.500 -0.129 0.000 2.235 145 R HA -0.019 4.312 4.340 -0.015 0.000 0.213 145 R C 2.204 178.475 176.300 -0.048 0.000 1.059 145 R CA 1.044 57.105 56.100 -0.065 0.000 0.997 145 R CB -0.175 30.083 30.300 -0.071 0.000 0.884 145 R HN 0.390 8.660 8.270 -0.000 0.000 0.462 146 S N -0.469 115.182 115.700 -0.081 0.000 2.515 146 S HA 0.086 4.547 4.470 -0.015 0.000 0.231 146 S C 0.771 175.396 174.600 0.042 0.000 0.987 146 S CA 0.377 58.559 58.200 -0.029 0.000 0.936 146 S CB 0.438 63.606 63.200 -0.053 0.000 0.766 146 S HN 0.414 8.724 8.310 -0.000 0.000 0.528 147 G N 0.720 109.570 108.800 0.084 0.000 2.397 147 G HA2 0.025 3.976 3.960 -0.015 0.000 0.453 147 G HA3 0.025 3.976 3.960 -0.015 0.000 0.453 147 G C -0.227 174.832 174.900 0.265 0.000 1.579 147 G CA -0.353 44.830 45.100 0.139 0.000 0.906 147 G HN 0.079 8.369 8.290 -0.000 0.000 0.675 148 N N 0.448 119.274 118.700 0.211 0.000 2.348 148 N HA -0.129 4.602 4.740 -0.015 0.000 0.185 148 N C 1.892 177.518 175.510 0.193 0.000 1.019 148 N CA 2.019 55.207 53.050 0.230 0.000 0.880 148 N CB 0.140 38.705 38.487 0.130 0.000 0.965 148 N HN 0.659 9.039 8.380 -0.000 0.000 0.437 149 D N -0.071 120.431 120.400 0.170 0.000 2.378 149 D HA -0.164 4.467 4.640 -0.015 0.000 0.227 149 D C 1.771 178.164 176.300 0.155 0.000 1.012 149 D CA 0.198 54.271 54.000 0.122 0.000 0.905 149 D CB -1.038 39.819 40.800 0.095 0.000 0.895 149 D HN 0.599 8.969 8.370 -0.000 0.000 0.532 150 W N 1.430 122.775 121.300 0.076 0.000 2.342 150 W HA -0.154 4.498 4.660 -0.014 0.000 0.297 150 W C 1.568 178.158 176.519 0.118 0.000 1.213 150 W CA 0.285 57.676 57.345 0.076 0.000 1.251 150 W CB -1.122 28.375 29.460 0.062 0.000 1.136 150 W HN -0.038 8.142 8.180 -0.000 0.000 0.526 151 I N 1.378 121.626 120.570 -0.536 0.000 2.163 151 I HA -0.290 3.871 4.170 -0.015 0.000 0.240 151 I C 2.779 178.943 176.117 0.078 0.000 1.081 151 I CA 2.293 63.347 61.300 -0.410 0.000 1.353 151 I CB -0.801 36.945 38.000 -0.425 0.000 1.054 151 I HN 0.021 8.231 8.210 -0.000 0.000 0.407 152 E N 1.119 121.315 120.200 -0.006 0.000 2.085 152 E HA -0.194 4.147 4.350 -0.015 0.000 0.194 152 E C 2.261 178.839 176.600 -0.038 0.000 0.994 152 E CA 1.481 57.759 56.400 -0.203 0.000 0.801 152 E CB 0.130 29.663 29.700 -0.278 0.000 0.743 152 E HN 0.256 8.616 8.360 -0.000 0.000 0.453 153 V N 1.163 121.091 119.914 0.024 0.000 2.343 153 V HA -0.251 3.860 4.120 -0.015 0.000 0.247 153 V C 2.464 178.592 176.094 0.057 0.000 1.051 153 V CA 1.717 64.048 62.300 0.051 0.000 1.036 153 V CB -0.761 31.116 31.823 0.089 0.000 0.654 153 V HN 0.474 8.664 8.190 -0.000 0.000 0.451 154 A N -0.379 122.480 122.820 0.066 0.000 1.902 154 A HA -0.199 4.112 4.320 -0.015 0.000 0.217 154 A C 2.041 179.555 177.584 -0.115 0.000 1.181 154 A CA 1.905 53.931 52.037 -0.018 0.000 0.623 154 A CB -0.726 18.256 19.000 -0.030 0.000 0.818 154 A HN 0.468 8.618 8.150 -0.000 0.000 0.443 155 F N -0.188 119.744 119.950 -0.030 0.000 2.146 155 F HA -0.112 4.406 4.527 -0.015 0.000 0.298 155 F C 2.616 178.385 175.800 -0.051 0.000 1.096 155 F CA 1.748 59.725 58.000 -0.038 0.000 1.275 155 F CB -0.285 38.671 39.000 -0.073 0.000 1.008 155 F HN 0.097 8.397 8.300 -0.000 0.000 0.480 156 R N -0.507 120.051 120.500 0.096 0.000 2.096 156 R HA -0.120 4.211 4.340 -0.015 0.000 0.235 156 R C 2.086 178.398 176.300 0.020 0.000 1.127 156 R CA 1.865 57.987 56.100 0.037 0.000 0.968 156 R CB -1.031 29.270 30.300 0.002 0.000 0.861 156 R HN 0.225 8.495 8.270 -0.000 0.000 0.440 157 T N 0.990 115.549 114.554 0.007 0.000 2.708 157 T HA -0.156 4.185 4.350 -0.015 0.000 0.266 157 T C 1.978 176.656 174.700 -0.037 0.000 1.037 157 T CA 1.501 63.594 62.100 -0.012 0.000 1.146 157 T CB -0.251 68.612 68.868 -0.008 0.000 0.865 157 T HN 0.387 8.627 8.240 -0.000 0.000 0.435 158 A N 1.715 124.498 122.820 -0.062 0.000 1.902 158 A HA -0.096 4.215 4.320 -0.015 0.000 0.217 158 A C 2.256 179.827 177.584 -0.022 0.000 1.181 158 A CA 1.980 53.959 52.037 -0.097 0.000 0.623 158 A CB -0.538 18.367 19.000 -0.157 0.000 0.818 158 A HN 0.363 8.513 8.150 -0.000 0.000 0.443 159 R N 0.253 120.770 120.500 0.029 0.000 2.081 159 R HA -0.025 4.306 4.340 -0.015 0.000 0.235 159 R C 2.098 178.414 176.300 0.026 0.000 1.131 159 R CA 2.007 58.138 56.100 0.051 0.000 0.960 159 R CB -0.807 29.532 30.300 0.066 0.000 0.856 159 R HN 0.366 8.636 8.270 -0.000 0.000 0.436 160 A N 0.252 123.079 122.820 0.011 0.000 1.902 160 A HA 0.006 4.317 4.320 -0.015 0.000 0.217 160 A C 2.384 179.963 177.584 -0.007 0.000 1.181 160 A CA 1.658 53.697 52.037 0.003 0.000 0.623 160 A CB -1.017 17.982 19.000 -0.001 0.000 0.818 160 A HN 0.510 8.660 8.150 -0.000 0.000 0.443 161 A N -1.419 121.386 122.820 -0.024 0.000 1.930 161 A HA 0.040 4.351 4.320 -0.015 0.000 0.217 161 A C 0.910 178.482 177.584 -0.020 0.000 1.175 161 A CA 1.705 53.718 52.037 -0.040 0.000 0.627 161 A CB -0.055 18.894 19.000 -0.084 0.000 0.815 161 A HN 0.411 8.561 8.150 -0.000 0.000 0.443 162 D N -2.501 117.902 120.400 0.005 0.000 2.337 162 D HA 0.259 4.890 4.640 -0.015 0.000 0.238 162 D C -2.635 173.706 176.300 0.067 0.000 1.331 162 D CA -1.385 52.642 54.000 0.045 0.000 0.967 162 D CB 1.210 42.065 40.800 0.091 0.000 1.382 162 D HN -0.057 8.313 8.370 -0.000 0.000 0.549 163 P HA 0.047 4.467 4.420 -0.000 0.000 0.237 163 P C 0.913 178.256 177.300 0.071 0.000 1.178 163 P CA 0.377 63.513 63.100 0.059 0.000 0.766 163 P CB 0.449 32.174 31.700 0.041 0.000 0.876 164 S N -0.899 114.847 115.700 0.077 0.000 2.501 164 S HA 0.223 4.684 4.470 -0.015 0.000 0.220 164 S C 1.136 175.796 174.600 0.100 0.000 0.997 164 S CA -0.020 58.227 58.200 0.077 0.000 0.919 164 S CB -0.197 63.042 63.200 0.066 0.000 0.778 164 S HN 0.183 8.493 8.310 -0.000 0.000 0.523 165 A N 1.822 124.727 122.820 0.141 0.000 2.327 165 A HA 0.463 4.774 4.320 -0.015 0.000 0.283 165 A C 0.019 177.707 177.584 0.173 0.000 1.127 165 A CA -0.486 51.658 52.037 0.179 0.000 0.810 165 A CB 0.388 19.590 19.000 0.336 0.000 1.066 165 A HN 0.263 8.413 8.150 -0.000 0.000 0.492 166 K N 1.303 121.794 120.400 0.152 0.000 2.298 166 K HA 0.391 4.702 4.320 -0.015 0.000 0.280 166 K C -1.040 175.695 176.600 0.226 0.000 1.032 166 K CA 0.211 56.596 56.287 0.162 0.000 0.958 166 K CB 0.618 33.198 32.500 0.133 0.000 0.978 166 K HN 0.568 8.818 8.250 -0.000 0.000 0.472 167 L N 3.999 125.381 121.223 0.265 0.000 2.280 167 L HA 0.356 4.687 4.340 -0.015 0.000 0.287 167 L C -0.559 176.587 176.870 0.459 0.000 1.023 167 L CA -0.925 54.139 54.840 0.373 0.000 0.819 167 L CB 1.211 43.542 42.059 0.453 0.000 1.212 167 L HN 0.672 8.902 8.230 -0.000 0.000 0.420 168 c N 1.854 120.702 118.600 0.413 0.000 2.454 168 c HA 0.440 5.001 4.570 -0.015 0.000 0.336 168 c C -0.167 174.214 174.090 0.484 0.000 1.189 168 c CA -0.906 55.643 56.329 0.367 0.000 1.877 168 c CB 1.426 44.051 42.510 0.192 0.000 2.348 168 c HN 0.609 8.839 8.230 -0.000 0.000 0.508 169 Y N 2.597 123.110 120.300 0.355 0.000 2.328 169 Y HA 0.503 5.044 4.550 -0.016 0.000 0.337 169 Y C -0.104 175.824 175.900 0.047 0.000 1.008 169 Y CA -0.022 58.254 58.100 0.292 0.000 1.129 169 Y CB 0.482 39.074 38.460 0.219 0.000 1.185 169 Y HN 0.795 9.075 8.280 -0.000 0.000 0.476 170 N N 4.121 122.312 118.700 -0.848 0.000 2.258 170 N HA 0.412 5.143 4.740 -0.015 0.000 0.299 170 N C -2.100 173.039 175.510 -0.617 0.000 1.047 170 N CA -0.387 52.324 53.050 -0.565 0.000 0.814 170 N CB 1.409 39.693 38.487 -0.338 0.000 1.413 170 N HN 0.744 9.124 8.380 -0.000 0.000 0.478 171 D N 0.207 120.409 120.400 -0.329 0.000 2.639 171 D HA 0.266 4.897 4.640 -0.015 0.000 0.271 171 D C -1.468 174.833 176.300 0.001 0.000 1.254 171 D CA -0.276 53.658 54.000 -0.110 0.000 0.810 171 D CB 0.973 41.810 40.800 0.062 0.000 1.351 171 D HN 0.422 8.792 8.370 -0.000 0.000 0.427 172 Y N -0.402 119.933 120.300 0.058 0.000 2.587 172 Y HA 0.574 5.114 4.550 -0.016 0.000 0.337 172 Y C 0.526 176.528 175.900 0.170 0.000 1.065 172 Y CA -0.919 57.237 58.100 0.093 0.000 1.126 172 Y CB 0.651 39.193 38.460 0.137 0.000 1.279 172 Y HN 0.273 8.553 8.280 -0.000 0.000 0.489 173 N N -0.335 118.568 118.700 0.339 0.000 2.735 173 N HA -0.151 4.580 4.740 -0.015 0.000 0.248 173 N C -0.292 175.481 175.510 0.438 0.000 1.083 173 N CA 1.205 54.467 53.050 0.354 0.000 0.703 173 N CB -1.453 37.102 38.487 0.112 0.000 1.005 173 N HN 0.956 9.336 8.380 -0.000 0.000 0.550 174 V N -3.998 116.169 119.914 0.422 0.000 3.078 174 V HA 0.376 4.487 4.120 -0.015 0.000 0.344 174 V C 1.130 177.537 176.094 0.522 0.000 1.409 174 V CA -0.139 62.413 62.300 0.420 0.000 1.146 174 V CB 0.806 32.773 31.823 0.240 0.000 1.126 174 V HN -0.040 8.150 8.190 -0.000 0.000 0.513 175 E N 0.863 121.317 120.200 0.423 0.000 2.216 175 E HA 0.149 4.490 4.350 -0.015 0.000 0.192 175 E C 1.065 177.727 176.600 0.104 0.000 0.973 175 E CA 0.265 56.852 56.400 0.311 0.000 0.851 175 E CB 0.047 29.772 29.700 0.042 0.000 0.804 175 E HN 0.581 8.941 8.360 -0.000 0.000 0.477 176 N N 0.643 119.107 118.700 -0.393 0.000 2.422 176 N HA -0.065 4.666 4.740 -0.015 0.000 0.264 176 N C 0.076 175.381 175.510 -0.343 0.000 1.063 176 N CA -0.105 52.509 53.050 -0.727 0.000 0.959 176 N CB 0.364 37.666 38.487 -1.975 0.000 1.087 176 N HN 0.278 8.658 8.380 -0.000 0.000 0.483 177 W N 3.444 124.574 121.300 -0.284 0.000 2.387 177 W HA -0.201 4.454 4.660 -0.008 0.000 0.272 177 W C 1.154 177.585 176.519 -0.146 0.000 1.224 177 W CA 1.769 59.024 57.345 -0.150 0.000 1.210 177 W CB 0.234 29.608 29.460 -0.144 0.000 1.125 177 W HN 0.649 8.829 8.180 -0.000 0.000 0.572 178 T N -2.784 111.618 114.554 -0.253 0.000 3.088 178 T HA -0.091 4.250 4.350 -0.015 0.000 0.259 178 T C 0.488 175.149 174.700 -0.064 0.000 1.122 178 T CA -0.050 61.914 62.100 -0.227 0.000 1.095 178 T CB -0.582 68.225 68.868 -0.102 0.000 0.930 178 T HN -0.073 8.167 8.240 -0.000 0.000 0.508 179 W N 1.367 122.604 121.300 -0.105 0.000 2.190 179 W HA 0.676 5.330 4.660 -0.011 0.000 0.330 179 W C 1.613 178.051 176.519 -0.135 0.000 1.299 179 W CA -1.463 55.834 57.345 -0.081 0.000 1.215 179 W CB 0.198 29.650 29.460 -0.013 0.000 1.147 179 W HN 0.235 8.415 8.180 -0.000 0.000 0.563 180 A N 2.756 125.646 122.820 0.117 0.000 1.933 180 A HA -0.227 4.084 4.320 -0.015 0.000 0.218 180 A C 2.087 179.651 177.584 -0.033 0.000 1.175 180 A CA 1.812 53.846 52.037 -0.006 0.000 0.628 180 A CB -0.464 18.526 19.000 -0.016 0.000 0.814 180 A HN 0.700 8.850 8.150 -0.000 0.000 0.444 181 K N -0.821 119.589 120.400 0.016 0.000 2.057 181 K HA -0.131 4.180 4.320 -0.015 0.000 0.207 181 K C 2.031 178.586 176.600 -0.076 0.000 1.049 181 K CA 1.809 58.067 56.287 -0.049 0.000 0.931 181 K CB -0.317 32.185 32.500 0.003 0.000 0.714 181 K HN 0.475 8.725 8.250 -0.000 0.000 0.440 182 T N 1.493 116.109 114.554 0.103 0.000 2.684 182 T HA -0.151 4.190 4.350 -0.015 0.000 0.267 182 T C 1.783 176.527 174.700 0.073 0.000 1.036 182 T CA 1.187 63.392 62.100 0.174 0.000 1.148 182 T CB -0.158 68.847 68.868 0.227 0.000 0.863 182 T HN 0.271 8.511 8.240 -0.000 0.000 0.436 183 Q N 0.675 120.403 119.800 -0.120 0.000 2.167 183 Q HA 0.100 4.431 4.340 -0.015 0.000 0.202 183 Q C 2.704 178.623 176.000 -0.136 0.000 0.970 183 Q CA 1.367 57.057 55.803 -0.189 0.000 0.855 183 Q CB -0.708 27.863 28.738 -0.278 0.000 0.911 183 Q HN 0.601 8.871 8.270 -0.000 0.000 0.438 184 A N 0.895 123.561 122.820 -0.258 0.000 1.898 184 A HA -0.156 4.155 4.320 -0.015 0.000 0.216 184 A C 2.135 179.329 177.584 -0.648 0.000 1.181 184 A CA 1.562 53.343 52.037 -0.427 0.000 0.620 184 A CB -0.537 18.139 19.000 -0.540 0.000 0.819 184 A HN 0.384 8.534 8.150 -0.000 0.000 0.442 185 M N -2.058 117.086 119.600 -0.760 0.000 2.117 185 M HA -0.154 4.317 4.480 -0.015 0.000 0.262 185 M C 2.117 178.448 176.300 0.052 0.000 1.065 185 M CA 2.108 57.150 55.300 -0.429 0.000 1.114 185 M CB -0.304 32.220 32.600 -0.127 0.000 1.361 185 M HN 0.534 8.824 8.290 -0.000 0.000 0.408 186 Y N 1.450 121.791 120.300 0.067 0.000 2.128 186 Y HA -0.292 4.249 4.550 -0.015 0.000 0.284 186 Y C 1.967 177.744 175.900 -0.206 0.000 1.154 186 Y CA 2.230 60.208 58.100 -0.204 0.000 1.149 186 Y CB -0.461 37.793 38.460 -0.343 0.000 0.976 186 Y HN 0.379 8.659 8.280 -0.000 0.000 0.505 187 N N 0.053 118.688 118.700 -0.108 0.000 2.166 187 N HA -0.228 4.503 4.740 -0.015 0.000 0.186 187 N C 2.024 177.385 175.510 -0.248 0.000 1.019 187 N CA 1.758 54.705 53.050 -0.171 0.000 0.856 187 N CB -0.583 37.858 38.487 -0.077 0.000 0.993 187 N HN 0.528 8.908 8.380 -0.000 0.000 0.426 188 M N 0.383 119.820 119.600 -0.271 0.000 2.099 188 M HA -0.103 4.368 4.480 -0.015 0.000 0.262 188 M C 1.550 177.456 176.300 -0.657 0.000 1.067 188 M CA 1.286 56.311 55.300 -0.458 0.000 1.124 188 M CB 0.063 32.407 32.600 -0.426 0.000 1.353 188 M HN -0.114 8.176 8.290 -0.000 0.000 0.410 189 V N 0.474 120.115 119.914 -0.456 0.000 2.427 189 V HA -0.256 3.855 4.120 -0.015 0.000 0.248 189 V C 2.447 178.390 176.094 -0.252 0.000 1.051 189 V CA 2.126 64.233 62.300 -0.322 0.000 1.048 189 V CB -1.003 30.786 31.823 -0.057 0.000 0.666 189 V HN 0.550 8.740 8.190 -0.000 0.000 0.456 190 R N 0.372 120.646 120.500 -0.377 0.000 2.081 190 R HA -0.245 4.086 4.340 -0.015 0.000 0.235 190 R C 2.123 178.323 176.300 -0.167 0.000 1.131 190 R CA 2.365 58.261 56.100 -0.340 0.000 0.960 190 R CB -0.450 29.546 30.300 -0.507 0.000 0.856 190 R HN 0.638 8.908 8.270 -0.000 0.000 0.436 191 D N -0.685 119.627 120.400 -0.146 0.000 2.097 191 D HA -0.188 4.443 4.640 -0.015 0.000 0.195 191 D C 1.616 177.984 176.300 0.113 0.000 0.989 191 D CA 1.313 55.298 54.000 -0.026 0.000 0.827 191 D CB -0.050 40.736 40.800 -0.023 0.000 0.966 191 D HN 0.161 8.531 8.370 -0.000 0.000 0.456 192 F N 1.002 120.875 119.950 -0.129 0.000 2.095 192 F HA -0.084 4.434 4.527 -0.015 0.000 0.298 192 F C 2.331 178.062 175.800 -0.114 0.000 1.104 192 F CA 0.938 58.856 58.000 -0.137 0.000 1.232 192 F CB -0.726 38.151 39.000 -0.205 0.000 0.987 192 F HN -0.022 8.278 8.300 -0.000 0.000 0.475 193 K N 0.436 120.885 120.400 0.082 0.000 2.097 193 K HA -0.150 4.161 4.320 -0.015 0.000 0.206 193 K C 1.980 178.582 176.600 0.003 0.000 1.049 193 K CA 0.982 57.279 56.287 0.017 0.000 0.933 193 K CB -0.809 31.684 32.500 -0.012 0.000 0.717 193 K HN 0.435 8.685 8.250 -0.000 0.000 0.442 194 Q N 0.235 120.034 119.800 -0.002 0.000 2.096 194 Q HA -0.105 4.225 4.340 -0.015 0.000 0.204 194 Q C 1.913 177.914 176.000 0.001 0.000 0.982 194 Q CA 1.376 57.175 55.803 -0.006 0.000 0.850 194 Q CB -0.096 28.635 28.738 -0.012 0.000 0.901 194 Q HN 0.260 8.530 8.270 -0.000 0.000 0.422 195 R N -1.011 119.495 120.500 0.009 0.000 2.300 195 R HA 0.084 4.415 4.340 -0.015 0.000 0.199 195 R C 0.841 177.127 176.300 -0.023 0.000 0.920 195 R CA 0.548 56.647 56.100 -0.003 0.000 1.046 195 R CB 0.620 30.922 30.300 0.004 0.000 0.984 195 R HN 0.389 8.659 8.270 -0.000 0.000 0.493 196 G N 1.051 109.836 108.800 -0.024 0.000 2.132 196 G HA2 -0.234 3.717 3.960 -0.015 0.000 0.234 196 G HA3 -0.234 3.717 3.960 -0.015 0.000 0.234 196 G C 0.137 174.994 174.900 -0.072 0.000 0.989 196 G CA -0.112 44.967 45.100 -0.035 0.000 0.676 196 G HN 0.119 8.409 8.290 -0.000 0.000 0.522 197 V N 2.207 122.044 119.914 -0.127 0.000 2.585 197 V HA 0.324 4.435 4.120 -0.015 0.000 0.296 197 V C -1.139 174.850 176.094 -0.176 0.000 1.035 197 V CA -0.707 61.442 62.300 -0.252 0.000 1.084 197 V CB 1.100 32.544 31.823 -0.631 0.000 0.953 197 V HN 0.252 8.442 8.190 -0.000 0.000 0.483 198 P HA 0.305 4.725 4.420 -0.000 0.000 0.268 198 P C -0.597 176.697 177.300 -0.010 0.000 1.485 198 P CA 0.420 63.511 63.100 -0.015 0.000 1.102 198 P CB 0.276 32.007 31.700 0.051 0.000 1.501 199 I N 2.306 122.834 120.570 -0.069 0.000 2.571 199 I HA 0.285 4.446 4.170 -0.015 0.000 0.289 199 I C -0.229 175.907 176.117 0.031 0.000 1.115 199 I CA -0.611 60.618 61.300 -0.118 0.000 1.045 199 I CB 2.469 40.218 38.000 -0.418 0.000 1.238 199 I HN -0.027 8.183 8.210 -0.000 0.000 0.424 200 D N 5.769 126.239 120.400 0.116 0.000 2.423 200 D HA 0.158 4.789 4.640 -0.015 0.000 0.208 200 D C 0.037 176.416 176.300 0.132 0.000 1.068 200 D CA 0.435 54.506 54.000 0.119 0.000 0.860 200 D CB 0.892 41.773 40.800 0.136 0.000 0.992 200 D HN 0.486 8.856 8.370 -0.000 0.000 0.504 201 c N -0.142 118.552 118.600 0.156 0.000 3.285 201 c HA 0.661 5.222 4.570 -0.015 0.000 0.325 201 c C -1.716 172.469 174.090 0.157 0.000 1.304 201 c CA -0.516 55.909 56.329 0.160 0.000 1.319 201 c CB 1.201 43.808 42.510 0.161 0.000 1.640 201 c HN -0.103 8.127 8.230 -0.000 0.000 0.477 202 V N 2.939 122.923 119.914 0.117 0.000 2.531 202 V HA 0.772 4.883 4.120 -0.015 0.000 0.301 202 V C 0.756 176.769 176.094 -0.136 0.000 1.034 202 V CA 0.407 62.691 62.300 -0.027 0.000 0.865 202 V CB 1.688 33.430 31.823 -0.135 0.000 0.995 202 V HN 1.322 9.512 8.190 -0.000 0.000 0.424 203 G N 3.207 111.865 108.800 -0.237 0.000 2.343 203 G HA2 0.644 4.594 3.960 -0.015 0.000 0.319 203 G HA3 0.644 4.594 3.960 -0.015 0.000 0.319 203 G C -1.152 173.474 174.900 -0.455 0.000 1.126 203 G CA -0.271 44.710 45.100 -0.198 0.000 0.889 203 G HN 0.431 8.721 8.290 -0.000 0.000 0.457 204 F N 1.255 121.198 119.950 -0.010 0.000 2.361 204 F HA 0.289 4.809 4.527 -0.012 0.000 0.364 204 F C 1.679 177.429 175.800 -0.085 0.000 1.117 204 F CA -0.556 57.453 58.000 0.014 0.000 1.071 204 F CB 2.095 41.221 39.000 0.210 0.000 1.188 204 F HN 0.521 8.821 8.300 -0.000 0.000 0.464 205 Q N 1.232 120.988 119.800 -0.073 0.000 2.135 205 Q HA -0.150 4.181 4.340 -0.015 0.000 0.204 205 Q C 0.690 176.419 176.000 -0.451 0.000 0.981 205 Q CA 1.469 57.090 55.803 -0.302 0.000 0.856 205 Q CB -0.095 28.479 28.738 -0.274 0.000 0.902 205 Q HN 0.807 9.077 8.270 -0.000 0.000 0.425 206 S N 0.260 115.699 115.700 -0.436 0.000 3.812 206 S HA -0.109 4.352 4.470 -0.015 0.000 0.341 206 S C -0.727 173.359 174.600 -0.856 0.000 1.057 206 S CA 0.101 57.801 58.200 -0.833 0.000 1.015 206 S CB -1.605 61.369 63.200 -0.377 0.000 0.893 206 S HN 0.430 8.740 8.310 -0.000 0.000 0.476 207 H N 0.626 119.422 119.070 -0.456 0.000 3.008 207 H HA 0.325 4.872 4.556 -0.015 0.000 0.268 207 H C 0.066 175.251 175.328 -0.238 0.000 1.323 207 H CA -0.120 55.807 56.048 -0.201 0.000 1.401 207 H CB -0.368 29.401 29.762 0.012 0.000 1.556 207 H HN 0.276 8.556 8.280 -0.000 0.000 0.502 208 F N 3.166 123.202 119.950 0.144 0.000 2.404 208 F HA 0.173 4.692 4.527 -0.014 0.000 0.345 208 F C 0.871 176.733 175.800 0.104 0.000 1.110 208 F CA -0.548 57.517 58.000 0.108 0.000 1.130 208 F CB 0.901 39.922 39.000 0.035 0.000 1.129 208 F HN 0.547 8.847 8.300 -0.000 0.000 0.500 209 N N -1.885 116.989 118.700 0.290 0.000 3.308 209 N HA 0.181 4.912 4.740 -0.015 0.000 0.276 209 N C 0.121 175.726 175.510 0.159 0.000 1.533 209 N CA -0.275 52.881 53.050 0.178 0.000 0.878 209 N CB 0.296 38.850 38.487 0.111 0.000 1.566 209 N HN 0.208 8.588 8.380 -0.000 0.000 0.546 210 S N -2.192 113.571 115.700 0.105 0.000 2.419 210 S HA 0.017 4.478 4.470 -0.015 0.000 0.233 210 S C 1.670 176.328 174.600 0.097 0.000 1.016 210 S CA 1.127 59.383 58.200 0.094 0.000 0.974 210 S CB -1.189 62.048 63.200 0.062 0.000 0.786 210 S HN 0.818 9.128 8.310 -0.000 0.000 0.492 211 G N 0.093 108.945 108.800 0.086 0.000 2.551 211 G HA2 0.238 4.189 3.960 -0.015 0.000 0.216 211 G HA3 0.238 4.189 3.960 -0.015 0.000 0.216 211 G C 0.406 175.369 174.900 0.106 0.000 1.137 211 G CA 0.297 45.439 45.100 0.070 0.000 0.798 211 G HN 0.538 8.828 8.290 -0.000 0.000 0.536 212 S N 1.518 117.332 115.700 0.190 0.000 2.293 212 S HA 0.380 4.841 4.470 -0.015 0.000 0.154 212 S C -2.851 172.018 174.600 0.449 0.000 1.602 212 S CA -0.791 57.611 58.200 0.336 0.000 1.260 212 S CB 2.411 65.784 63.200 0.288 0.000 1.270 212 S HN 0.076 8.386 8.310 -0.000 0.000 0.416 213 P HA 0.158 4.578 4.420 -0.000 0.000 0.274 213 P C -0.456 176.996 177.300 0.253 0.000 1.231 213 P CA -0.469 62.808 63.100 0.294 0.000 0.790 213 P CB 0.420 32.230 31.700 0.182 0.000 0.951 214 Y N 2.395 122.616 120.300 -0.131 0.000 2.578 214 Y HA 0.119 4.658 4.550 -0.018 0.000 0.339 214 Y C 0.218 175.956 175.900 -0.271 0.000 1.231 214 Y CA 0.575 58.322 58.100 -0.589 0.000 1.461 214 Y CB 0.239 38.141 38.460 -0.930 0.000 1.323 214 Y HN 0.343 8.623 8.280 -0.000 0.000 0.590 215 N N 2.112 120.156 118.700 -1.094 0.000 2.229 215 N HA 0.088 4.819 4.740 -0.015 0.000 0.298 215 N C 0.240 175.056 175.510 -1.157 0.000 1.114 215 N CA 0.205 52.766 53.050 -0.815 0.000 0.776 215 N CB 2.090 40.303 38.487 -0.456 0.000 1.501 215 N HN 0.794 9.174 8.380 -0.000 0.000 0.474 216 S N 1.924 117.250 115.700 -0.623 0.000 2.465 216 S HA -0.204 4.257 4.470 -0.015 0.000 0.241 216 S C 1.195 175.667 174.600 -0.213 0.000 1.000 216 S CA 1.256 59.269 58.200 -0.313 0.000 0.964 216 S CB -0.524 62.628 63.200 -0.079 0.000 0.763 216 S HN 0.771 9.081 8.310 -0.000 0.000 0.512 217 N N 1.001 119.566 118.700 -0.226 0.000 2.571 217 N HA -0.058 4.673 4.740 -0.015 0.000 0.189 217 N C 0.985 176.441 175.510 -0.090 0.000 1.154 217 N CA 0.289 53.253 53.050 -0.142 0.000 0.907 217 N CB -1.034 37.403 38.487 -0.083 0.000 0.977 217 N HN 0.407 8.787 8.380 -0.000 0.000 0.449 218 F N 1.720 121.485 119.950 -0.309 0.000 2.202 218 F HA 0.011 4.530 4.527 -0.014 0.000 0.301 218 F C 2.275 177.962 175.800 -0.189 0.000 1.082 218 F CA 0.876 58.747 58.000 -0.214 0.000 1.313 218 F CB -0.303 38.615 39.000 -0.138 0.000 1.024 218 F HN 0.103 8.403 8.300 -0.000 0.000 0.495 219 R N -0.571 119.820 120.500 -0.182 0.000 2.096 219 R HA -0.129 4.202 4.340 -0.015 0.000 0.235 219 R C 2.021 178.127 176.300 -0.324 0.000 1.127 219 R CA 1.879 57.809 56.100 -0.283 0.000 0.968 219 R CB -0.446 29.758 30.300 -0.159 0.000 0.861 219 R HN 0.251 8.521 8.270 -0.000 0.000 0.440 220 T N -0.158 114.204 114.554 -0.321 0.000 2.746 220 T HA -0.106 4.235 4.350 -0.015 0.000 0.267 220 T C 1.680 175.990 174.700 -0.650 0.000 1.039 220 T CA 1.824 63.628 62.100 -0.492 0.000 1.142 220 T CB -0.288 68.256 68.868 -0.540 0.000 0.866 220 T HN 0.349 8.589 8.240 -0.000 0.000 0.444 221 T N 2.651 116.963 114.554 -0.403 0.000 2.674 221 T HA 0.006 4.347 4.350 -0.015 0.000 0.265 221 T C 2.009 176.628 174.700 -0.136 0.000 1.039 221 T CA 0.997 63.029 62.100 -0.113 0.000 1.150 221 T CB -0.548 68.421 68.868 0.168 0.000 0.864 221 T HN 0.251 8.491 8.240 -0.000 0.000 0.427 222 L N 0.658 121.613 121.223 -0.446 0.000 2.042 222 L HA -0.189 4.142 4.340 -0.015 0.000 0.210 222 L C 2.921 179.691 176.870 -0.166 0.000 1.076 222 L CA 1.528 56.122 54.840 -0.410 0.000 0.749 222 L CB -0.653 41.044 42.059 -0.603 0.000 0.893 222 L HN 0.328 8.558 8.230 -0.000 0.000 0.432 223 Q N 0.001 119.661 119.800 -0.234 0.000 2.084 223 Q HA -0.199 4.132 4.340 -0.015 0.000 0.202 223 Q C 1.981 177.901 176.000 -0.134 0.000 0.978 223 Q CA 1.902 57.599 55.803 -0.177 0.000 0.844 223 Q CB -0.200 28.398 28.738 -0.234 0.000 0.898 223 Q HN 0.609 8.879 8.270 -0.000 0.000 0.426 224 N N -0.505 118.044 118.700 -0.251 0.000 2.188 224 N HA -0.113 4.618 4.740 -0.015 0.000 0.184 224 N C 1.438 176.992 175.510 0.073 0.000 1.018 224 N CA 0.737 53.653 53.050 -0.224 0.000 0.858 224 N CB -0.082 37.951 38.487 -0.756 0.000 0.989 224 N HN 0.093 8.473 8.380 -0.000 0.000 0.426 225 F N 1.460 121.507 119.950 0.162 0.000 2.146 225 F HA -0.030 4.487 4.527 -0.017 0.000 0.298 225 F C 2.531 178.416 175.800 0.141 0.000 1.096 225 F CA 0.847 59.009 58.000 0.269 0.000 1.275 225 F CB -0.416 38.820 39.000 0.392 0.000 1.008 225 F HN 0.013 8.313 8.300 -0.000 0.000 0.480 226 A N -0.035 122.928 122.820 0.240 0.000 1.978 226 A HA -0.134 4.177 4.320 -0.015 0.000 0.220 226 A C 2.295 179.927 177.584 0.079 0.000 1.170 226 A CA 1.682 53.798 52.037 0.131 0.000 0.636 226 A CB -1.234 17.801 19.000 0.059 0.000 0.810 226 A HN 0.307 8.457 8.150 -0.000 0.000 0.448 227 A N -0.617 122.237 122.820 0.056 0.000 2.168 227 A HA 0.182 4.493 4.320 -0.015 0.000 0.215 227 A C 1.830 179.430 177.584 0.027 0.000 1.152 227 A CA 0.881 52.935 52.037 0.027 0.000 0.716 227 A CB -0.488 18.515 19.000 0.006 0.000 0.794 227 A HN 0.482 8.632 8.150 -0.000 0.000 0.465 228 L N -1.194 120.046 121.223 0.030 0.000 2.552 228 L HA 0.133 4.464 4.340 -0.015 0.000 0.227 228 L C 1.504 178.379 176.870 0.009 0.000 1.146 228 L CA 0.600 55.428 54.840 -0.019 0.000 0.858 228 L CB -0.319 41.686 42.059 -0.090 0.000 0.969 228 L HN 0.560 8.790 8.230 -0.000 0.000 0.451 229 G N 0.900 109.723 108.800 0.037 0.000 2.207 229 G HA2 -0.177 3.774 3.960 -0.015 0.000 0.216 229 G HA3 -0.177 3.774 3.960 -0.015 0.000 0.216 229 G C -0.089 174.847 174.900 0.061 0.000 1.053 229 G CA 0.030 45.154 45.100 0.040 0.000 0.764 229 G HN 0.229 8.519 8.290 -0.000 0.000 0.495 230 V N -3.446 116.523 119.914 0.093 0.000 2.962 230 V HA 0.868 4.978 4.120 -0.015 0.000 0.313 230 V C -0.201 175.971 176.094 0.131 0.000 1.099 230 V CA -1.603 60.767 62.300 0.116 0.000 0.971 230 V CB 2.151 34.064 31.823 0.150 0.000 1.028 230 V HN 0.046 8.236 8.190 -0.000 0.000 0.430 231 D N 1.513 121.989 120.400 0.127 0.000 2.329 231 D HA 0.572 5.203 4.640 -0.015 0.000 0.246 231 D C 0.008 176.406 176.300 0.163 0.000 1.111 231 D CA 0.114 54.190 54.000 0.126 0.000 0.941 231 D CB 2.037 42.907 40.800 0.118 0.000 1.169 231 D HN 0.947 9.317 8.370 -0.000 0.000 0.441 232 V N -2.572 117.435 119.914 0.156 0.000 2.769 232 V HA 0.938 5.049 4.120 -0.015 0.000 0.312 232 V C -0.748 175.450 176.094 0.173 0.000 1.061 232 V CA -0.948 61.483 62.300 0.219 0.000 0.931 232 V CB 1.521 33.494 31.823 0.250 0.000 1.010 232 V HN 0.659 8.849 8.190 -0.000 0.000 0.433 233 A N 3.804 126.761 122.820 0.229 0.000 2.486 233 A HA 0.871 5.182 4.320 -0.015 0.000 0.300 233 A C -0.961 176.763 177.584 0.234 0.000 1.048 233 A CA -0.698 51.446 52.037 0.179 0.000 0.696 233 A CB 1.554 20.673 19.000 0.198 0.000 1.278 233 A HN 0.950 9.100 8.150 -0.000 0.000 0.405 234 I N 2.576 123.243 120.570 0.163 0.000 2.291 234 I HA 0.217 4.378 4.170 -0.015 0.000 0.290 234 I C 1.497 177.665 176.117 0.084 0.000 1.050 234 I CA 0.091 61.501 61.300 0.182 0.000 1.245 234 I CB 1.575 39.684 38.000 0.180 0.000 1.405 234 I HN 0.892 9.102 8.210 -0.000 0.000 0.478 235 T N 0.745 115.314 114.554 0.026 0.000 3.040 235 T HA 0.191 4.532 4.350 -0.015 0.000 0.252 235 T C 0.837 175.481 174.700 -0.093 0.000 1.064 235 T CA 0.303 62.383 62.100 -0.034 0.000 1.110 235 T CB 0.092 68.900 68.868 -0.100 0.000 0.921 235 T HN 0.553 8.793 8.240 -0.000 0.000 0.480 236 E N 0.811 120.873 120.200 -0.229 0.000 3.521 236 E HA 0.320 4.661 4.350 -0.015 0.000 0.183 236 E C -1.013 175.445 176.600 -0.236 0.000 0.981 236 E CA -0.477 55.730 56.400 -0.321 0.000 1.349 236 E CB 0.695 29.782 29.700 -1.020 0.000 1.102 236 E HN 0.215 8.575 8.360 -0.000 0.000 0.449 237 L N 3.035 124.235 121.223 -0.038 0.000 2.559 237 L HA 0.078 4.409 4.340 -0.015 0.000 0.274 237 L C -0.559 176.452 176.870 0.235 0.000 1.205 237 L CA 0.843 55.707 54.840 0.040 0.000 0.907 237 L CB 0.072 42.215 42.059 0.140 0.000 1.153 237 L HN 0.165 8.395 8.230 -0.000 0.000 0.490 238 D N 4.218 124.750 120.400 0.221 0.000 2.654 238 D HA 0.517 5.148 4.640 -0.015 0.000 0.231 238 D C -1.025 175.401 176.300 0.210 0.000 1.239 238 D CA -0.405 53.809 54.000 0.356 0.000 0.790 238 D CB 0.599 41.716 40.800 0.527 0.000 1.480 238 D HN 0.404 8.774 8.370 -0.000 0.000 0.442 239 I N 0.429 121.103 120.570 0.173 0.000 2.512 239 I HA 0.224 4.385 4.170 -0.015 0.000 0.287 239 I C -0.289 175.928 176.117 0.166 0.000 1.069 239 I CA -0.955 60.405 61.300 0.100 0.000 1.056 239 I CB 2.207 40.104 38.000 -0.171 0.000 1.229 239 I HN 0.395 8.605 8.210 -0.000 0.000 0.429 240 Q N 4.643 124.534 119.800 0.151 0.000 2.262 240 Q HA 0.142 4.473 4.340 -0.015 0.000 0.298 240 Q C 1.216 177.285 176.000 0.116 0.000 1.083 240 Q CA 1.585 57.460 55.803 0.121 0.000 0.962 240 Q CB 0.419 29.213 28.738 0.095 0.000 1.104 240 Q HN 1.007 9.277 8.270 -0.000 0.000 0.376 241 G N 3.141 112.012 108.800 0.118 0.000 2.205 241 G HA2 -0.347 3.604 3.960 -0.015 0.000 0.261 241 G HA3 -0.347 3.604 3.960 -0.015 0.000 0.261 241 G C 0.515 175.502 174.900 0.145 0.000 0.980 241 G CA 0.222 45.389 45.100 0.111 0.000 0.632 241 G HN 1.908 10.198 8.290 -0.000 0.000 0.533 242 A N -0.597 122.353 122.820 0.216 0.000 2.560 242 A HA 0.049 4.360 4.320 -0.015 0.000 0.299 242 A C -0.558 177.186 177.584 0.267 0.000 1.484 242 A CA 1.297 53.541 52.037 0.344 0.000 0.749 242 A CB -1.479 17.699 19.000 0.298 0.000 1.072 242 A HN 1.355 9.505 8.150 -0.000 0.000 0.426 243 P HA 0.304 4.724 4.420 -0.000 0.000 0.263 243 P C 1.018 178.422 177.300 0.173 0.000 1.195 243 P CA 0.747 63.922 63.100 0.126 0.000 0.762 243 P CB 1.037 32.773 31.700 0.061 0.000 0.799 244 A N 3.954 126.839 122.820 0.110 0.000 1.969 244 A HA -0.148 4.162 4.320 -0.015 0.000 0.218 244 A C 2.245 179.867 177.584 0.062 0.000 1.169 244 A CA 1.835 53.925 52.037 0.089 0.000 0.635 244 A CB -1.353 17.661 19.000 0.023 0.000 0.810 244 A HN 0.640 8.790 8.150 -0.000 0.000 0.445 245 S N -0.043 115.671 115.700 0.023 0.000 2.354 245 S HA -0.210 4.251 4.470 -0.015 0.000 0.219 245 S C 1.882 176.433 174.600 -0.081 0.000 1.035 245 S CA 2.102 60.290 58.200 -0.020 0.000 1.037 245 S CB -1.508 61.681 63.200 -0.019 0.000 0.956 245 S HN 0.494 8.804 8.310 -0.000 0.000 0.428 246 T N 0.739 115.219 114.554 -0.123 0.000 2.788 246 T HA -0.045 4.296 4.350 -0.015 0.000 0.268 246 T C 1.563 176.072 174.700 -0.319 0.000 1.044 246 T CA 1.543 63.435 62.100 -0.346 0.000 1.139 246 T CB -0.624 68.041 68.868 -0.338 0.000 0.867 246 T HN 0.406 8.646 8.240 -0.000 0.000 0.454 247 Y N 1.622 121.840 120.300 -0.135 0.000 2.165 247 Y HA -0.057 4.484 4.550 -0.016 0.000 0.286 247 Y C 2.732 178.593 175.900 -0.065 0.000 1.155 247 Y CA 0.817 58.884 58.100 -0.054 0.000 1.164 247 Y CB -0.772 37.691 38.460 0.005 0.000 0.978 247 Y HN 0.214 8.494 8.280 -0.000 0.000 0.513 248 A N 0.013 122.879 122.820 0.076 0.000 1.930 248 A HA -0.197 4.114 4.320 -0.015 0.000 0.217 248 A C 2.072 179.636 177.584 -0.034 0.000 1.175 248 A CA 1.795 53.841 52.037 0.014 0.000 0.627 248 A CB -0.620 18.372 19.000 -0.013 0.000 0.815 248 A HN 0.442 8.592 8.150 -0.000 0.000 0.443 249 N N 0.232 118.849 118.700 -0.137 0.000 2.120 249 N HA -0.118 4.613 4.740 -0.015 0.000 0.188 249 N C 1.679 177.123 175.510 -0.111 0.000 1.024 249 N CA 1.577 54.525 53.050 -0.171 0.000 0.852 249 N CB -0.612 37.643 38.487 -0.387 0.000 1.003 249 N HN 0.254 8.634 8.380 -0.000 0.000 0.424 250 V N 1.010 120.807 119.914 -0.196 0.000 2.343 250 V HA -0.207 3.904 4.120 -0.015 0.000 0.247 250 V C 2.172 178.360 176.094 0.157 0.000 1.051 250 V CA 1.795 64.139 62.300 0.075 0.000 1.036 250 V CB -0.953 30.908 31.823 0.064 0.000 0.654 250 V HN 0.352 8.542 8.190 -0.000 0.000 0.451 251 T N 0.291 114.922 114.554 0.129 0.000 2.708 251 T HA -0.174 4.166 4.350 -0.015 0.000 0.266 251 T C 1.840 176.583 174.700 0.071 0.000 1.037 251 T CA 1.661 63.845 62.100 0.140 0.000 1.146 251 T CB -0.388 68.566 68.868 0.143 0.000 0.865 251 T HN 0.411 8.651 8.240 -0.000 0.000 0.435 252 N N 1.250 119.974 118.700 0.040 0.000 2.309 252 N HA -0.085 4.646 4.740 -0.015 0.000 0.182 252 N C 1.489 177.002 175.510 0.005 0.000 1.018 252 N CA 0.855 53.914 53.050 0.015 0.000 0.876 252 N CB -0.359 38.131 38.487 0.005 0.000 0.972 252 N HN 0.384 8.764 8.380 -0.000 0.000 0.434 253 D N 0.271 120.687 120.400 0.027 0.000 2.117 253 D HA -0.110 4.520 4.640 -0.015 0.000 0.197 253 D C 2.043 178.282 176.300 -0.101 0.000 0.987 253 D CA 0.562 54.543 54.000 -0.032 0.000 0.829 253 D CB -0.549 40.259 40.800 0.014 0.000 0.961 253 D HN 0.205 8.575 8.370 -0.000 0.000 0.460 254 c N 0.548 119.114 118.600 -0.057 0.000 2.432 254 c HA -0.049 4.512 4.570 -0.015 0.000 0.277 254 c C 2.814 176.869 174.090 -0.059 0.000 1.249 254 c CA 0.312 56.595 56.329 -0.076 0.000 1.725 254 c CB -1.241 41.252 42.510 -0.029 0.000 2.028 254 c HN 0.288 8.518 8.230 -0.000 0.000 0.477 255 L N 1.147 122.353 121.223 -0.028 0.000 2.191 255 L HA -0.091 4.240 4.340 -0.015 0.000 0.212 255 L C 2.807 179.655 176.870 -0.036 0.000 1.103 255 L CA 1.421 56.246 54.840 -0.024 0.000 0.769 255 L CB -0.588 41.465 42.059 -0.009 0.000 0.908 255 L HN 0.475 8.705 8.230 -0.000 0.000 0.438 256 A N -0.839 121.952 122.820 -0.049 0.000 2.167 256 A HA 0.112 4.423 4.320 -0.015 0.000 0.214 256 A C 0.900 178.442 177.584 -0.070 0.000 1.151 256 A CA 0.361 52.363 52.037 -0.058 0.000 0.735 256 A CB -0.049 18.912 19.000 -0.064 0.000 0.802 256 A HN 0.139 8.289 8.150 -0.000 0.000 0.467 257 V N 0.729 120.595 119.914 -0.080 0.000 2.350 257 V HA 0.157 4.268 4.120 -0.015 0.000 0.285 257 V C 0.989 177.052 176.094 -0.053 0.000 1.014 257 V CA -0.055 62.195 62.300 -0.082 0.000 0.831 257 V CB 1.094 32.843 31.823 -0.124 0.000 1.000 257 V HN 0.419 8.609 8.190 -0.000 0.000 0.433 258 S N 3.923 119.601 115.700 -0.037 0.000 2.387 258 S HA -0.162 4.299 4.470 -0.015 0.000 0.230 258 S C 1.647 176.243 174.600 -0.006 0.000 1.035 258 S CA 1.397 59.586 58.200 -0.019 0.000 1.014 258 S CB -0.183 63.010 63.200 -0.012 0.000 0.836 258 S HN 0.726 9.036 8.310 -0.000 0.000 0.466 259 R N -0.097 120.403 120.500 -0.000 0.000 2.356 259 R HA 0.199 4.530 4.340 -0.015 0.000 0.234 259 R C 0.044 176.357 176.300 0.023 0.000 0.929 259 R CA -0.167 55.947 56.100 0.024 0.000 1.084 259 R CB -0.258 30.068 30.300 0.043 0.000 1.105 259 R HN 0.278 8.548 8.270 -0.000 0.000 0.515 260 c N 1.673 120.265 118.600 -0.013 0.000 2.416 260 c HA 0.208 4.769 4.570 -0.015 0.000 0.355 260 c C 1.864 175.924 174.090 -0.050 0.000 1.211 260 c CA -0.630 55.680 56.329 -0.031 0.000 1.699 260 c CB -1.001 41.463 42.510 -0.076 0.000 2.310 260 c HN 0.538 8.768 8.230 -0.000 0.000 0.539 261 L N 5.371 126.577 121.223 -0.029 0.000 2.141 261 L HA 0.249 4.580 4.340 -0.015 0.000 0.209 261 L C 1.541 178.175 176.870 -0.394 0.000 1.094 261 L CA 1.144 55.959 54.840 -0.042 0.000 0.763 261 L CB -0.697 41.463 42.059 0.168 0.000 0.908 261 L HN 0.930 9.160 8.230 -0.000 0.000 0.437 262 G N -0.684 107.734 108.800 -0.637 0.000 2.315 262 G HA2 0.386 4.337 3.960 -0.015 0.000 0.294 262 G HA3 0.386 4.337 3.960 -0.015 0.000 0.294 262 G C -1.842 172.625 174.900 -0.721 0.000 1.300 262 G CA -0.775 43.617 45.100 -1.181 0.000 0.843 262 G HN -0.105 8.185 8.290 -0.000 0.000 0.527 263 I N 0.357 120.552 120.570 -0.626 0.000 2.545 263 I HA 0.537 4.698 4.170 -0.015 0.000 0.292 263 I C -0.348 175.541 176.117 -0.379 0.000 1.040 263 I CA -0.655 60.411 61.300 -0.391 0.000 1.068 263 I CB 2.735 40.461 38.000 -0.457 0.000 1.251 263 I HN 0.390 8.600 8.210 -0.000 0.000 0.424 264 T N 5.288 119.762 114.554 -0.134 0.000 2.792 264 T HA 0.463 4.804 4.350 -0.015 0.000 0.280 264 T C -0.318 174.361 174.700 -0.034 0.000 0.990 264 T CA -0.548 61.502 62.100 -0.082 0.000 0.960 264 T CB 1.554 70.460 68.868 0.062 0.000 0.939 264 T HN 0.368 8.608 8.240 -0.000 0.000 0.439 265 V N 1.166 121.077 119.914 -0.004 0.000 2.567 265 V HA 0.473 4.584 4.120 -0.015 0.000 0.289 265 V C 0.207 176.401 176.094 0.168 0.000 1.049 265 V CA -1.109 61.313 62.300 0.203 0.000 0.969 265 V CB 1.295 33.352 31.823 0.390 0.000 0.995 265 V HN 1.002 9.192 8.190 -0.000 0.000 0.471 266 W N 5.221 126.551 121.300 0.051 0.000 1.395 266 W HA 0.547 5.197 4.660 -0.016 0.000 0.451 266 W C 0.551 177.103 176.519 0.056 0.000 0.619 266 W CA 0.753 58.092 57.345 -0.010 0.000 2.212 266 W CB -0.008 29.438 29.460 -0.024 0.000 1.537 266 W HN 1.253 9.433 8.180 -0.000 0.000 0.275 267 G N -0.002 108.671 108.800 -0.211 0.000 2.354 267 G HA2 -0.103 3.848 3.960 -0.015 0.000 0.582 267 G HA3 -0.103 3.848 3.960 -0.015 0.000 0.582 267 G C -0.638 174.271 174.900 0.016 0.000 1.316 267 G CA -0.581 44.433 45.100 -0.144 0.000 0.995 267 G HN 0.051 8.341 8.290 -0.000 0.000 0.573 268 V N 0.280 120.246 119.914 0.086 0.000 2.785 268 V HA 0.350 4.461 4.120 -0.015 0.000 0.226 268 V C 1.578 177.862 176.094 0.317 0.000 1.127 268 V CA 1.395 63.796 62.300 0.169 0.000 1.193 268 V CB -0.494 31.264 31.823 -0.108 0.000 0.926 268 V HN 0.706 8.896 8.190 -0.000 0.000 0.507 269 R N 0.729 121.380 120.500 0.251 0.000 2.549 269 R HA 0.249 4.580 4.340 -0.015 0.000 0.267 269 R C 0.819 177.257 176.300 0.230 0.000 1.045 269 R CA -0.554 55.707 56.100 0.267 0.000 1.115 269 R CB 0.520 30.936 30.300 0.194 0.000 1.121 269 R HN 0.244 8.514 8.270 -0.000 0.000 0.543 270 D N 0.402 120.926 120.400 0.207 0.000 2.149 270 D HA -0.167 4.464 4.640 -0.015 0.000 0.198 270 D C 1.716 178.104 176.300 0.147 0.000 0.990 270 D CA 2.041 56.147 54.000 0.176 0.000 0.839 270 D CB -0.152 40.735 40.800 0.146 0.000 0.948 270 D HN 0.542 8.912 8.370 -0.000 0.000 0.460 271 S N 0.159 115.933 115.700 0.123 0.000 2.447 271 S HA -0.116 4.345 4.470 -0.015 0.000 0.233 271 S C 1.301 175.955 174.600 0.090 0.000 1.006 271 S CA 0.769 59.024 58.200 0.091 0.000 0.957 271 S CB 0.006 63.247 63.200 0.068 0.000 0.773 271 S HN 0.100 8.410 8.310 -0.000 0.000 0.507 272 D N 1.609 122.080 120.400 0.119 0.000 2.323 272 D HA 0.123 4.754 4.640 -0.015 0.000 0.209 272 D C 0.815 177.196 176.300 0.135 0.000 0.973 272 D CA 0.344 54.406 54.000 0.104 0.000 0.874 272 D CB -0.119 40.781 40.800 0.167 0.000 0.930 272 D HN 0.434 8.804 8.370 -0.000 0.000 0.521 273 S N 1.109 116.923 115.700 0.190 0.000 2.572 273 S HA 0.009 4.470 4.470 -0.015 0.000 0.279 273 S C 1.345 176.153 174.600 0.346 0.000 1.341 273 S CA -0.811 57.569 58.200 0.300 0.000 1.043 273 S CB 0.558 63.941 63.200 0.305 0.000 0.887 273 S HN 0.346 8.656 8.310 -0.000 0.000 0.516 274 W N 5.361 126.750 121.300 0.147 0.000 2.468 274 W HA 0.065 4.715 4.660 -0.016 0.000 0.262 274 W C 0.292 176.863 176.519 0.086 0.000 1.241 274 W CA 0.281 57.704 57.345 0.130 0.000 1.232 274 W CB -0.743 28.841 29.460 0.206 0.000 1.124 274 W HN 0.651 8.831 8.180 -0.000 0.000 0.597 275 R N 1.348 121.781 120.500 -0.111 0.000 2.795 275 R HA 0.075 4.406 4.340 -0.015 0.000 0.320 275 R C 1.750 178.031 176.300 -0.032 0.000 1.223 275 R CA 0.548 56.490 56.100 -0.263 0.000 1.305 275 R CB 0.351 30.323 30.300 -0.546 0.000 1.318 275 R HN 0.077 8.347 8.270 -0.000 0.000 0.636 276 S N 0.717 116.438 115.700 0.036 0.000 2.400 276 S HA -0.229 4.232 4.470 -0.015 0.000 0.232 276 S C 1.769 176.395 174.600 0.043 0.000 1.025 276 S CA 1.482 59.723 58.200 0.069 0.000 0.993 276 S CB 0.036 63.280 63.200 0.073 0.000 0.808 276 S HN 0.510 8.820 8.310 -0.000 0.000 0.478 277 E N 1.665 121.870 120.200 0.008 0.000 2.333 277 E HA -0.183 4.158 4.350 -0.015 0.000 0.198 277 E C 1.436 178.043 176.600 0.011 0.000 1.007 277 E CA 1.000 57.402 56.400 0.004 0.000 0.845 277 E CB -0.664 29.026 29.700 -0.017 0.000 0.766 277 E HN 0.778 9.138 8.360 -0.000 0.000 0.507 278 Q N 0.896 120.703 119.800 0.012 0.000 2.280 278 Q HA 0.037 4.368 4.340 -0.015 0.000 0.201 278 Q C -0.248 175.799 176.000 0.079 0.000 0.890 278 Q CA 0.564 56.386 55.803 0.033 0.000 0.947 278 Q CB 0.118 28.861 28.738 0.010 0.000 1.081 278 Q HN 0.470 8.740 8.270 -0.000 0.000 0.502 279 T N -0.297 114.311 114.554 0.089 0.000 3.151 279 T HA -0.122 4.219 4.350 -0.015 0.000 0.438 279 T C -2.194 172.603 174.700 0.163 0.000 0.772 279 T CA 0.419 62.589 62.100 0.117 0.000 2.200 279 T CB -0.749 68.176 68.868 0.095 0.000 1.653 279 T HN 0.222 8.462 8.240 -0.000 0.000 0.581 280 P HA 0.433 4.853 4.420 -0.000 0.000 0.280 280 P C 0.442 177.981 177.300 0.398 0.000 1.431 280 P CA -0.380 62.891 63.100 0.285 0.000 1.058 280 P CB 0.569 32.430 31.700 0.269 0.000 1.521 281 L N -0.828 120.588 121.223 0.321 0.000 2.341 281 L HA 0.436 4.767 4.340 -0.015 0.000 0.267 281 L C 1.813 178.764 176.870 0.135 0.000 1.022 281 L CA -1.097 53.929 54.840 0.311 0.000 0.844 281 L CB 0.926 43.177 42.059 0.321 0.000 1.436 281 L HN -0.293 7.937 8.230 -0.000 0.000 0.483 282 L N -0.451 120.809 121.223 0.061 0.000 2.529 282 L HA 0.192 4.523 4.340 -0.015 0.000 0.223 282 L C -0.518 176.088 176.870 -0.439 0.000 1.113 282 L CA 0.438 55.124 54.840 -0.257 0.000 0.861 282 L CB 0.105 41.965 42.059 -0.332 0.000 1.012 282 L HN 0.240 8.470 8.230 -0.000 0.000 0.461 283 F N -0.641 119.366 119.950 0.094 0.000 2.532 283 F HA 0.315 4.834 4.527 -0.015 0.000 0.321 283 F C 0.476 176.311 175.800 0.059 0.000 1.089 283 F CA -0.948 57.083 58.000 0.052 0.000 0.926 283 F CB 1.014 40.045 39.000 0.052 0.000 1.168 283 F HN -0.177 8.123 8.300 -0.000 0.000 0.459 284 N N 1.058 119.875 118.700 0.194 0.000 2.317 284 N HA 0.069 4.799 4.740 -0.015 0.000 0.245 284 N C 0.723 176.319 175.510 0.142 0.000 1.294 284 N CA -0.451 52.679 53.050 0.134 0.000 0.924 284 N CB 0.355 38.893 38.487 0.085 0.000 1.186 284 N HN 0.510 8.890 8.380 -0.000 0.000 0.495 285 N N 0.798 119.560 118.700 0.104 0.000 2.205 285 N HA -0.160 4.571 4.740 -0.015 0.000 0.186 285 N C 0.557 176.112 175.510 0.074 0.000 1.015 285 N CA 1.054 54.157 53.050 0.088 0.000 0.862 285 N CB -0.398 38.129 38.487 0.066 0.000 0.986 285 N HN 0.634 9.014 8.380 -0.000 0.000 0.429 286 D N -1.162 119.278 120.400 0.066 0.000 2.349 286 D HA 0.101 4.732 4.640 -0.015 0.000 0.224 286 D C 1.199 177.530 176.300 0.052 0.000 1.029 286 D CA 0.647 54.677 54.000 0.050 0.000 0.879 286 D CB -0.342 40.480 40.800 0.037 0.000 0.906 286 D HN 0.254 8.624 8.370 -0.000 0.000 0.528 287 G N 0.171 109.020 108.800 0.082 0.000 2.195 287 G HA2 -0.287 3.664 3.960 -0.015 0.000 0.246 287 G HA3 -0.287 3.664 3.960 -0.015 0.000 0.246 287 G C 0.401 175.389 174.900 0.147 0.000 0.984 287 G CA 0.360 45.505 45.100 0.075 0.000 0.633 287 G HN 0.817 9.107 8.290 -0.000 0.000 0.525 288 S N 0.052 115.822 115.700 0.118 0.000 2.585 288 S HA 0.577 5.038 4.470 -0.015 0.000 0.273 288 S C 0.288 174.944 174.600 0.093 0.000 1.339 288 S CA -0.111 58.138 58.200 0.083 0.000 1.028 288 S CB 1.489 64.707 63.200 0.031 0.000 0.906 288 S HN 0.471 8.781 8.310 -0.000 0.000 0.528 289 K N 1.794 122.165 120.400 -0.047 0.000 2.412 289 K HA 0.177 4.488 4.320 -0.015 0.000 0.281 289 K C 0.191 176.694 176.600 -0.163 0.000 1.027 289 K CA 0.022 56.139 56.287 -0.283 0.000 0.989 289 K CB 0.465 32.683 32.500 -0.470 0.000 0.935 289 K HN 0.536 8.786 8.250 -0.000 0.000 0.475 290 K N 0.896 121.188 120.400 -0.181 0.000 2.098 290 K HA 0.202 4.513 4.320 -0.015 0.000 0.244 290 K C 1.161 177.724 176.600 -0.062 0.000 1.014 290 K CA -0.281 55.952 56.287 -0.089 0.000 0.917 290 K CB 0.904 33.355 32.500 -0.082 0.000 1.072 290 K HN 0.635 8.885 8.250 -0.000 0.000 0.477 291 A N 1.093 123.893 122.820 -0.033 0.000 1.986 291 A HA -0.228 4.083 4.320 -0.015 0.000 0.220 291 A C 2.117 179.675 177.584 -0.043 0.000 1.171 291 A CA 2.313 54.337 52.037 -0.022 0.000 0.640 291 A CB -0.922 18.074 19.000 -0.005 0.000 0.811 291 A HN 0.784 8.934 8.150 -0.000 0.000 0.451 292 A N -1.526 121.250 122.820 -0.074 0.000 1.930 292 A HA -0.079 4.232 4.320 -0.015 0.000 0.217 292 A C 2.073 179.504 177.584 -0.256 0.000 1.175 292 A CA 1.573 53.521 52.037 -0.149 0.000 0.627 292 A CB -0.785 18.072 19.000 -0.238 0.000 0.815 292 A HN 0.749 8.899 8.150 -0.000 0.000 0.443 293 Y N 1.310 121.386 120.300 -0.373 0.000 2.081 293 Y HA -0.255 4.287 4.550 -0.013 0.000 0.280 293 Y C 2.644 178.374 175.900 -0.284 0.000 1.163 293 Y CA 2.590 60.438 58.100 -0.420 0.000 1.135 293 Y CB -0.813 37.323 38.460 -0.541 0.000 0.970 293 Y HN 0.301 8.581 8.280 -0.000 0.000 0.498 294 T N 0.725 115.267 114.554 -0.021 0.000 2.720 294 T HA -0.231 4.110 4.350 -0.015 0.000 0.268 294 T C 2.060 176.669 174.700 -0.152 0.000 1.037 294 T CA 1.560 63.631 62.100 -0.048 0.000 1.144 294 T CB -0.805 68.074 68.868 0.018 0.000 0.864 294 T HN 0.529 8.769 8.240 -0.000 0.000 0.444 295 A N 0.727 123.468 122.820 -0.132 0.000 1.930 295 A HA -0.010 4.301 4.320 -0.015 0.000 0.217 295 A C 2.570 180.065 177.584 -0.150 0.000 1.175 295 A CA 1.144 53.117 52.037 -0.107 0.000 0.627 295 A CB -0.850 18.117 19.000 -0.055 0.000 0.815 295 A HN 0.364 8.514 8.150 -0.000 0.000 0.443 296 V N -0.345 119.424 119.914 -0.242 0.000 2.307 296 V HA -0.215 3.896 4.120 -0.015 0.000 0.245 296 V C 2.475 178.356 176.094 -0.354 0.000 1.045 296 V CA 1.905 64.044 62.300 -0.269 0.000 1.024 296 V CB -0.752 30.843 31.823 -0.380 0.000 0.651 296 V HN 0.588 8.778 8.190 -0.000 0.000 0.449 297 L N 0.497 121.408 121.223 -0.521 0.000 2.042 297 L HA -0.193 4.138 4.340 -0.015 0.000 0.210 297 L C 2.064 178.797 176.870 -0.228 0.000 1.076 297 L CA 2.131 56.705 54.840 -0.442 0.000 0.749 297 L CB -0.879 40.888 42.059 -0.486 0.000 0.893 297 L HN 0.317 8.547 8.230 -0.000 0.000 0.432 298 D N -0.233 120.061 120.400 -0.176 0.000 2.144 298 D HA -0.132 4.499 4.640 -0.015 0.000 0.199 298 D C 2.214 178.464 176.300 -0.084 0.000 0.984 298 D CA 1.421 55.360 54.000 -0.102 0.000 0.834 298 D CB -0.235 40.519 40.800 -0.077 0.000 0.955 298 D HN 0.504 8.874 8.370 -0.000 0.000 0.465 299 A N 0.707 123.474 122.820 -0.089 0.000 1.877 299 A HA -0.114 4.197 4.320 -0.015 0.000 0.216 299 A C 2.357 179.911 177.584 -0.049 0.000 1.186 299 A CA 0.894 52.898 52.037 -0.055 0.000 0.620 299 A CB -0.813 18.165 19.000 -0.036 0.000 0.822 299 A HN 0.210 8.360 8.150 -0.000 0.000 0.443 300 L N -0.213 120.966 121.223 -0.074 0.000 2.131 300 L HA -0.174 4.157 4.340 -0.015 0.000 0.210 300 L C 1.757 178.599 176.870 -0.047 0.000 1.092 300 L CA 1.066 55.873 54.840 -0.054 0.000 0.759 300 L CB -0.526 41.480 42.059 -0.087 0.000 0.903 300 L HN 0.358 8.588 8.230 -0.000 0.000 0.435 301 N N 0.064 118.728 118.700 -0.060 0.000 2.412 301 N HA 0.009 4.740 4.740 -0.015 0.000 0.184 301 N C 1.373 176.863 175.510 -0.033 0.000 1.101 301 N CA 0.990 54.014 53.050 -0.044 0.000 0.881 301 N CB 0.492 38.950 38.487 -0.049 0.000 0.969 301 N HN 0.383 8.763 8.380 -0.000 0.000 0.459 302 G N -0.092 108.689 108.800 -0.033 0.000 2.160 302 G HA2 -0.115 3.836 3.960 -0.015 0.000 0.251 302 G HA3 -0.115 3.836 3.960 -0.015 0.000 0.251 302 G C 0.452 175.336 174.900 -0.026 0.000 1.008 302 G CA 0.741 45.825 45.100 -0.026 0.000 0.724 302 G HN 0.790 9.080 8.290 -0.000 0.000 0.514 303 G N -0.828 107.953 108.800 -0.031 0.000 2.357 303 G HA2 0.524 4.475 3.960 -0.015 0.000 0.289 303 G HA3 0.524 4.475 3.960 -0.015 0.000 0.289 303 G C -0.592 174.290 174.900 -0.031 0.000 1.302 303 G CA 0.475 45.558 45.100 -0.028 0.000 0.936 303 G HN 1.438 9.728 8.290 -0.000 0.000 0.513 304 D N -0.912 119.474 120.400 -0.025 0.000 2.819 304 D HA 0.373 5.004 4.640 -0.015 0.000 0.326 304 D C 1.018 177.308 176.300 -0.016 0.000 1.408 304 D CA 0.568 54.555 54.000 -0.022 0.000 0.811 304 D CB -0.093 40.694 40.800 -0.022 0.000 1.148 304 D HN 0.847 9.217 8.370 -0.000 0.000 0.457 305 S N 0.069 115.760 115.700 -0.015 0.000 2.580 305 S HA 0.405 4.866 4.470 -0.015 0.000 0.266 305 S C 0.456 175.049 174.600 -0.011 0.000 1.354 305 S CA -0.362 57.831 58.200 -0.012 0.000 1.008 305 S CB 0.810 64.004 63.200 -0.011 0.000 0.898 305 S HN 0.426 8.736 8.310 -0.000 0.000 0.555 306 S N 0.196 115.891 115.700 -0.009 0.000 2.312 306 S HA 0.565 5.026 4.470 -0.015 0.000 0.173 306 S C -0.786 173.810 174.600 -0.007 0.000 1.488 306 S CA -0.838 57.358 58.200 -0.008 0.000 1.239 306 S CB -0.270 62.926 63.200 -0.007 0.000 1.215 306 S HN 0.988 9.298 8.310 -0.000 0.000 0.438 307 E N 0.342 120.537 120.200 -0.007 0.000 2.439 307 E HA 0.625 4.966 4.350 -0.015 0.000 0.279 307 E C -3.154 173.442 176.600 -0.006 0.000 1.077 307 E CA -1.993 54.403 56.400 -0.006 0.000 0.849 307 E CB -0.425 29.271 29.700 -0.006 0.000 1.408 307 E HN 0.247 8.607 8.360 -0.000 0.000 0.457 308 P HA 0.234 4.654 4.420 -0.000 0.000 0.269 308 P C -2.110 175.187 177.300 -0.006 0.000 1.215 308 P CA -0.693 62.404 63.100 -0.005 0.000 0.780 308 P CB -0.357 31.340 31.700 -0.005 0.000 0.898 309 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 309 P CA 0.000 63.097 63.100 -0.006 0.000 0.800 309 P CB 0.000 31.697 31.700 -0.005 0.000 0.726