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 1lul_1_C DATA FIRST_RESID 1 DATA SEQUENCE ADIQSFSFKN FXXSSFILQG DATVSSSKLR LTKVKGNGLP TLSSLGRAFY DATA SEQUENCE SSPIQIYDKS TGAVASWATS FTANIFAPNK SSSADGIAFA LVPVGSEPKS DATA SEQUENCE NXXFLGVFDS DVYDNSAQTV AVEFDTFSNT XWDPTSRHIG IDVNSIKSIR DATA SEQUENCE TASWGLANGQ NAEILITYNA ATSLLVASLV HPSRRTSYIV SERVDITNEL DATA SEQUENCE PEYVSIGFSA TTGLSXXYTE THDVLSWSFA SKLPDDSTTE PLDIASYLVR DATA SEQUENCE NVL 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 0.000 177.605 177.584 0.036 0.000 1.274 1 A CA 0.000 52.056 52.037 0.031 0.000 0.836 1 A CB 0.000 19.016 19.000 0.026 0.000 0.831 2 D N 1.598 122.024 120.400 0.043 0.000 2.232 2 D HA 0.653 5.292 4.640 -0.001 0.000 0.242 2 D C -0.463 175.872 176.300 0.059 0.000 1.093 2 D CA 0.317 54.347 54.000 0.050 0.000 0.845 2 D CB 1.556 42.387 40.800 0.051 0.000 1.124 2 D HN 0.349 8.719 8.370 -0.000 0.000 0.467 3 I N 1.550 122.157 120.570 0.061 0.000 2.569 3 I HA 0.252 4.421 4.170 -0.001 0.000 0.296 3 I C -0.292 175.879 176.117 0.089 0.000 1.028 3 I CA -0.481 60.859 61.300 0.067 0.000 1.082 3 I CB 1.830 39.858 38.000 0.047 0.000 1.264 3 I HN 0.072 8.282 8.210 -0.000 0.000 0.429 4 Q N 3.825 123.694 119.800 0.115 0.000 2.271 4 Q HA 0.729 5.068 4.340 -0.001 0.000 0.268 4 Q C -1.315 174.776 176.000 0.152 0.000 1.021 4 Q CA -0.710 55.191 55.803 0.162 0.000 0.802 4 Q CB 2.546 31.419 28.738 0.226 0.000 1.282 4 Q HN 0.762 9.032 8.270 -0.000 0.000 0.431 5 S N 1.473 117.241 115.700 0.112 0.000 2.596 5 S HA 0.903 5.372 4.470 -0.001 0.000 0.270 5 S C -1.283 173.327 174.600 0.018 0.000 1.155 5 S CA -0.650 57.548 58.200 -0.003 0.000 0.827 5 S CB 1.690 64.872 63.200 -0.030 0.000 1.130 5 S HN 0.573 8.883 8.310 -0.000 0.000 0.467 6 F N -1.651 118.229 119.950 -0.117 0.000 2.741 6 F HA 0.875 5.401 4.527 -0.001 0.000 0.311 6 F C -1.052 174.496 175.800 -0.421 0.000 1.149 6 F CA -0.656 57.130 58.000 -0.357 0.000 0.930 6 F CB 1.174 39.842 39.000 -0.553 0.000 1.312 6 F HN 0.895 9.195 8.300 -0.000 0.000 0.450 7 S N 1.314 116.875 115.700 -0.231 0.000 2.603 7 S HA 0.788 5.258 4.470 -0.001 0.000 0.274 7 S C -2.206 172.106 174.600 -0.481 0.000 1.168 7 S CA -0.370 57.709 58.200 -0.202 0.000 0.963 7 S CB 0.452 63.565 63.200 -0.145 0.000 1.078 7 S HN 0.595 8.905 8.310 -0.000 0.000 0.477 8 F N 2.902 122.890 119.950 0.064 0.000 2.507 8 F HA 0.692 5.219 4.527 -0.001 0.000 0.325 8 F C 1.019 176.734 175.800 -0.142 0.000 1.116 8 F CA -0.528 57.406 58.000 -0.111 0.000 0.930 8 F CB 2.031 40.856 39.000 -0.291 0.000 1.146 8 F HN 0.702 9.002 8.300 -0.000 0.000 0.447 9 K N 0.554 120.989 120.400 0.057 0.000 2.399 9 K HA 0.400 4.719 4.320 -0.001 0.000 0.196 9 K C 0.263 176.885 176.600 0.036 0.000 1.117 9 K CA 0.849 57.170 56.287 0.057 0.000 0.965 9 K CB -0.673 31.863 32.500 0.061 0.000 0.983 9 K HN 0.756 9.006 8.250 -0.000 0.000 0.531 10 N N 0.912 119.613 118.700 0.001 0.000 2.576 10 N HA 0.620 5.359 4.740 -0.001 0.000 0.269 10 N C -0.421 175.083 175.510 -0.010 0.000 1.058 10 N CA -0.774 52.306 53.050 0.050 0.000 0.860 10 N CB 0.152 38.688 38.487 0.082 0.000 1.249 10 N HN 0.167 8.547 8.380 -0.000 0.000 0.525 15 S N 1.284 116.898 115.700 -0.143 0.000 2.631 15 S HA 0.500 4.970 4.470 -0.001 0.000 0.217 15 S C -0.356 173.782 174.600 -0.769 0.000 0.958 15 S CA 0.069 57.977 58.200 -0.487 0.000 0.920 15 S CB -0.336 62.505 63.200 -0.597 0.000 0.776 15 S HN 0.516 8.826 8.310 -0.000 0.000 0.517 16 F N 0.376 120.349 119.950 0.038 0.000 2.563 16 F HA 0.573 5.099 4.527 -0.001 0.000 0.316 16 F C -0.137 175.709 175.800 0.077 0.000 1.076 16 F CA -1.330 56.731 58.000 0.103 0.000 0.921 16 F CB 0.960 40.025 39.000 0.107 0.000 1.209 16 F HN -0.187 8.113 8.300 -0.000 0.000 0.462 17 I N 3.875 124.620 120.570 0.291 0.000 2.339 17 I HA 0.357 4.526 4.170 -0.001 0.000 0.290 17 I C -0.822 175.430 176.117 0.224 0.000 0.994 17 I CA -0.446 60.976 61.300 0.203 0.000 1.191 17 I CB 1.118 39.221 38.000 0.172 0.000 1.343 17 I HN 0.342 8.552 8.210 -0.000 0.000 0.458 18 L N 6.749 128.057 121.223 0.141 0.000 2.325 18 L HA 0.549 4.888 4.340 -0.001 0.000 0.278 18 L C -0.439 176.475 176.870 0.073 0.000 1.023 18 L CA -0.676 54.215 54.840 0.085 0.000 0.811 18 L CB 1.445 43.526 42.059 0.037 0.000 1.249 18 L HN 0.565 8.795 8.230 -0.000 0.000 0.431 19 Q N 1.216 121.049 119.800 0.056 0.000 2.372 19 Q HA 0.594 4.934 4.340 -0.001 0.000 0.273 19 Q C 0.214 176.222 176.000 0.012 0.000 1.078 19 Q CA -0.331 55.502 55.803 0.050 0.000 0.806 19 Q CB 2.769 31.564 28.738 0.096 0.000 1.332 19 Q HN 0.854 9.124 8.270 -0.000 0.000 0.435 20 G N 2.334 111.139 108.800 0.008 0.000 2.547 20 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.271 20 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.271 20 G C -0.038 174.854 174.900 -0.013 0.000 1.209 20 G CA 0.268 45.365 45.100 -0.004 0.000 0.959 20 G HN 0.746 9.036 8.290 -0.000 0.000 0.563 21 D N 1.751 122.138 120.400 -0.020 0.000 2.378 21 D HA 0.344 4.984 4.640 -0.001 0.000 0.227 21 D C 1.622 177.896 176.300 -0.044 0.000 1.012 21 D CA 1.092 55.077 54.000 -0.026 0.000 0.905 21 D CB -0.597 40.192 40.800 -0.019 0.000 0.895 21 D HN 0.998 9.368 8.370 -0.000 0.000 0.532 22 A N 0.612 123.398 122.820 -0.056 0.000 2.567 22 A HA 0.292 4.611 4.320 -0.001 0.000 0.240 22 A C 0.685 178.221 177.584 -0.081 0.000 1.053 22 A CA 0.587 52.571 52.037 -0.087 0.000 0.755 22 A CB 0.114 19.060 19.000 -0.089 0.000 0.978 22 A HN 0.105 8.255 8.150 -0.000 0.000 0.507 23 T N 0.884 115.369 114.554 -0.114 0.000 2.885 23 T HA 0.466 4.816 4.350 -0.001 0.000 0.322 23 T C -1.386 173.224 174.700 -0.150 0.000 1.387 23 T CA 0.038 62.077 62.100 -0.102 0.000 1.041 23 T CB 1.290 70.115 68.868 -0.071 0.000 1.287 23 T HN 1.706 9.946 8.240 -0.000 0.000 0.491 24 V N 3.645 123.484 119.914 -0.125 0.000 2.495 24 V HA 0.946 5.066 4.120 -0.001 0.000 0.298 24 V C -0.831 175.217 176.094 -0.078 0.000 1.031 24 V CA 0.407 62.620 62.300 -0.144 0.000 0.871 24 V CB 1.407 33.145 31.823 -0.142 0.000 0.988 24 V HN 1.307 9.497 8.190 -0.000 0.000 0.432 25 S N 3.673 119.329 115.700 -0.073 0.000 2.542 25 S HA 0.575 5.045 4.470 -0.001 0.000 0.276 25 S C -0.185 174.398 174.600 -0.029 0.000 1.148 25 S CA 0.210 58.387 58.200 -0.038 0.000 0.886 25 S CB 1.641 64.818 63.200 -0.039 0.000 1.109 25 S HN 1.968 10.278 8.310 -0.000 0.000 0.458 26 S N 1.368 117.065 115.700 -0.005 0.000 3.482 26 S HA -0.073 4.397 4.470 -0.001 0.000 0.294 26 S C 0.954 175.571 174.600 0.028 0.000 1.244 26 S CA 1.388 59.592 58.200 0.007 0.000 0.911 26 S CB -2.259 60.937 63.200 -0.005 0.000 1.070 26 S HN 2.681 10.992 8.310 -0.000 0.000 0.614 27 S N -0.519 115.206 115.700 0.042 0.000 3.682 27 S HA -0.178 4.291 4.470 -0.001 0.000 0.354 27 S C -0.015 174.674 174.600 0.149 0.000 1.034 27 S CA 2.283 60.541 58.200 0.096 0.000 1.084 27 S CB -1.330 61.926 63.200 0.094 0.000 0.903 27 S HN 1.518 9.828 8.310 -0.000 0.000 0.470 28 K N -0.277 120.146 120.400 0.039 0.000 2.543 28 K HA 0.752 5.071 4.320 -0.001 0.000 0.255 28 K C -0.725 175.663 176.600 -0.354 0.000 0.934 28 K CA -1.018 55.218 56.287 -0.084 0.000 0.810 28 K CB 1.229 33.692 32.500 -0.061 0.000 1.315 28 K HN 0.435 8.685 8.250 -0.000 0.000 0.433 29 L N 2.904 123.634 121.223 -0.822 0.000 2.433 29 L HA 0.381 4.721 4.340 -0.001 0.000 0.275 29 L C -0.192 176.376 176.870 -0.503 0.000 1.128 29 L CA 0.294 54.657 54.840 -0.794 0.000 0.875 29 L CB 0.246 41.543 42.059 -1.269 0.000 1.171 29 L HN 0.959 9.189 8.230 -0.000 0.000 0.463 30 R N 5.706 126.010 120.500 -0.326 0.000 2.247 30 R HA 0.398 4.737 4.340 -0.001 0.000 0.329 30 R C 0.256 176.447 176.300 -0.181 0.000 1.014 30 R CA -0.395 55.576 56.100 -0.215 0.000 0.907 30 R CB -0.038 30.177 30.300 -0.142 0.000 1.146 30 R HN 0.867 9.137 8.270 -0.000 0.000 0.499 31 L N 0.648 121.764 121.223 -0.178 0.000 2.156 31 L HA 0.016 4.356 4.340 -0.001 0.000 0.208 31 L C 1.246 178.071 176.870 -0.076 0.000 1.095 31 L CA 1.610 56.362 54.840 -0.147 0.000 0.770 31 L CB -0.022 41.933 42.059 -0.174 0.000 0.914 31 L HN 0.817 9.047 8.230 -0.000 0.000 0.439 32 T N -3.684 110.869 114.554 -0.002 0.000 2.942 32 T HA 0.324 4.674 4.350 -0.001 0.000 0.289 32 T C -0.061 174.648 174.700 0.016 0.000 1.044 32 T CA -1.034 61.085 62.100 0.032 0.000 1.023 32 T CB 2.202 71.168 68.868 0.163 0.000 1.123 32 T HN -0.209 8.031 8.240 -0.000 0.000 0.512 33 K N 0.730 121.139 120.400 0.015 0.000 2.414 33 K HA 0.393 4.712 4.320 -0.001 0.000 0.272 33 K C -0.980 175.623 176.600 0.004 0.000 0.993 33 K CA -0.098 56.191 56.287 0.004 0.000 0.964 33 K CB 0.675 33.179 32.500 0.007 0.000 0.925 33 K HN 0.539 8.789 8.250 -0.000 0.000 0.487 34 V N 3.870 123.779 119.914 -0.008 0.000 2.733 34 V HA 0.217 4.337 4.120 -0.001 0.000 0.306 34 V C -0.023 176.065 176.094 -0.011 0.000 1.084 34 V CA -0.965 61.329 62.300 -0.011 0.000 0.905 34 V CB 2.069 33.879 31.823 -0.021 0.000 1.010 34 V HN 0.721 8.911 8.190 -0.000 0.000 0.424 35 K N 1.943 122.338 120.400 -0.010 0.000 2.143 35 K HA 0.336 4.655 4.320 -0.001 0.000 0.239 35 K C 1.476 178.070 176.600 -0.011 0.000 1.048 35 K CA 0.617 56.899 56.287 -0.009 0.000 0.867 35 K CB 0.317 32.812 32.500 -0.008 0.000 1.088 35 K HN 0.850 9.100 8.250 -0.000 0.000 0.510 36 G N 0.829 109.623 108.800 -0.009 0.000 2.418 36 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.217 36 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.217 36 G C 1.029 175.923 174.900 -0.011 0.000 1.158 36 G CA 1.393 46.487 45.100 -0.010 0.000 0.771 36 G HN 0.830 9.120 8.290 -0.000 0.000 0.545 37 N N -0.128 118.566 118.700 -0.011 0.000 2.443 37 N HA 0.213 4.952 4.740 -0.001 0.000 0.184 37 N C 1.565 177.067 175.510 -0.014 0.000 1.037 37 N CA 1.342 54.384 53.050 -0.012 0.000 0.896 37 N CB -0.211 38.269 38.487 -0.012 0.000 0.959 37 N HN 0.560 8.940 8.380 -0.000 0.000 0.442 38 G N -1.927 106.864 108.800 -0.015 0.000 2.141 38 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.231 38 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.231 38 G C 0.090 174.977 174.900 -0.021 0.000 0.984 38 G CA 0.162 45.251 45.100 -0.018 0.000 0.660 38 G HN 0.686 8.976 8.290 -0.000 0.000 0.525 39 L N -0.483 120.729 121.223 -0.018 0.000 2.379 39 L HA 0.981 5.320 4.340 -0.001 0.000 0.269 39 L C -0.619 176.242 176.870 -0.015 0.000 1.084 39 L CA -1.303 53.525 54.840 -0.020 0.000 0.802 39 L CB -0.304 41.743 42.059 -0.019 0.000 1.175 39 L HN 0.042 8.272 8.230 -0.000 0.000 0.448 40 P HA 0.362 4.782 4.420 -0.000 0.000 0.293 40 P C -0.223 177.083 177.300 0.010 0.000 1.285 40 P CA 0.037 63.137 63.100 -0.000 0.000 0.775 40 P CB 0.250 31.950 31.700 0.001 0.000 1.351 41 T N -1.871 112.699 114.554 0.028 0.000 3.105 41 T HA 0.527 4.877 4.350 -0.001 0.000 0.321 41 T C -0.368 174.359 174.700 0.045 0.000 1.135 41 T CA -0.498 61.619 62.100 0.028 0.000 1.053 41 T CB 0.562 69.444 68.868 0.023 0.000 1.133 41 T HN 0.346 8.586 8.240 -0.000 0.000 0.463 42 L N 1.433 122.681 121.223 0.042 0.000 2.436 42 L HA 0.802 5.141 4.340 -0.001 0.000 0.265 42 L C 1.208 178.110 176.870 0.052 0.000 1.168 42 L CA -0.202 54.672 54.840 0.057 0.000 0.815 42 L CB -0.402 41.688 42.059 0.052 0.000 1.109 42 L HN 1.046 9.276 8.230 -0.000 0.000 0.462 43 S N -0.012 115.726 115.700 0.062 0.000 3.711 43 S HA -0.107 4.362 4.470 -0.001 0.000 0.374 43 S C 0.352 174.977 174.600 0.042 0.000 0.969 43 S CA 0.927 59.159 58.200 0.053 0.000 1.198 43 S CB -1.160 62.067 63.200 0.046 0.000 0.903 43 S HN 2.142 10.451 8.310 -0.000 0.000 0.493 44 S N 0.415 116.141 115.700 0.043 0.000 2.621 44 S HA 0.928 5.398 4.470 -0.001 0.000 0.302 44 S C -0.727 173.879 174.600 0.011 0.000 1.093 44 S CA -0.629 57.587 58.200 0.027 0.000 1.017 44 S CB 1.762 64.982 63.200 0.033 0.000 1.077 44 S HN 0.743 9.053 8.310 -0.000 0.000 0.517 45 L N 2.271 123.490 121.223 -0.007 0.000 2.641 45 L HA 0.726 5.065 4.340 -0.001 0.000 0.261 45 L C -0.750 176.097 176.870 -0.038 0.000 0.926 45 L CA -0.036 54.788 54.840 -0.026 0.000 0.917 45 L CB 1.429 43.486 42.059 -0.004 0.000 1.361 45 L HN 0.895 9.125 8.230 -0.000 0.000 0.417 46 G N 4.060 112.818 108.800 -0.070 0.000 2.719 46 G HA2 0.704 4.663 3.960 -0.001 0.000 0.298 46 G HA3 0.704 4.663 3.960 -0.001 0.000 0.298 46 G C -1.858 172.973 174.900 -0.115 0.000 1.411 46 G CA -0.705 44.348 45.100 -0.078 0.000 0.991 46 G HN 0.533 8.823 8.290 -0.000 0.000 0.509 47 R N -0.003 120.431 120.500 -0.111 0.000 2.744 47 R HA 0.801 5.140 4.340 -0.001 0.000 0.279 47 R C -1.018 175.119 176.300 -0.273 0.000 0.977 47 R CA -0.927 55.038 56.100 -0.226 0.000 0.906 47 R CB 2.694 32.945 30.300 -0.081 0.000 1.197 47 R HN 0.752 9.022 8.270 -0.000 0.000 0.463 48 A N 2.677 125.178 122.820 -0.532 0.000 2.398 48 A HA 0.782 5.101 4.320 -0.001 0.000 0.301 48 A C -1.460 175.826 177.584 -0.497 0.000 1.041 48 A CA -0.560 51.302 52.037 -0.292 0.000 0.711 48 A CB 0.893 19.796 19.000 -0.161 0.000 1.240 48 A HN 0.544 8.694 8.150 -0.000 0.000 0.420 49 F N 0.661 120.734 119.950 0.205 0.000 2.576 49 F HA 0.453 4.979 4.527 -0.001 0.000 0.313 49 F C -0.313 175.699 175.800 0.354 0.000 1.078 49 F CA -0.714 57.429 58.000 0.239 0.000 0.921 49 F CB 1.517 40.563 39.000 0.076 0.000 1.232 49 F HN 0.617 8.917 8.300 -0.000 0.000 0.459 50 Y N 1.787 122.358 120.300 0.452 0.000 2.526 50 Y HA 0.065 4.614 4.550 -0.001 0.000 0.330 50 Y C 1.437 177.344 175.900 0.011 0.000 1.156 50 Y CA -0.150 58.013 58.100 0.106 0.000 1.419 50 Y CB 0.901 39.385 38.460 0.041 0.000 1.250 50 Y HN 0.694 8.974 8.280 -0.000 0.000 0.540 51 S N 2.246 117.679 115.700 -0.444 0.000 2.365 51 S HA -0.186 4.283 4.470 -0.001 0.000 0.225 51 S C 0.812 175.096 174.600 -0.526 0.000 1.039 51 S CA 1.532 59.466 58.200 -0.443 0.000 1.033 51 S CB -0.336 62.612 63.200 -0.420 0.000 0.887 51 S HN 0.622 8.932 8.310 -0.000 0.000 0.447 52 S N 2.834 117.964 115.700 -0.949 0.000 2.475 52 S HA 0.351 4.821 4.470 -0.001 0.000 0.281 52 S C -2.649 171.777 174.600 -0.291 0.000 1.198 52 S CA -1.997 55.881 58.200 -0.536 0.000 1.063 52 S CB 0.635 63.556 63.200 -0.464 0.000 0.972 52 S HN 0.060 8.370 8.310 -0.000 0.000 0.486 53 P HA 0.292 4.712 4.420 -0.000 0.000 0.275 53 P C -0.548 176.787 177.300 0.058 0.000 1.228 53 P CA -0.431 62.647 63.100 -0.037 0.000 0.786 53 P CB 0.463 32.135 31.700 -0.047 0.000 0.927 54 I N -0.879 119.721 120.570 0.051 0.000 2.603 54 I HA 0.441 4.610 4.170 -0.001 0.000 0.300 54 I C -0.525 175.573 176.117 -0.031 0.000 1.017 54 I CA -1.195 60.136 61.300 0.052 0.000 1.098 54 I CB 2.360 40.367 38.000 0.012 0.000 1.279 54 I HN 0.202 8.412 8.210 -0.000 0.000 0.437 55 Q N 4.573 124.290 119.800 -0.139 0.000 2.322 55 Q HA 0.300 4.639 4.340 -0.001 0.000 0.256 55 Q C 0.124 175.949 176.000 -0.292 0.000 0.960 55 Q CA -0.719 54.783 55.803 -0.502 0.000 0.934 55 Q CB 1.286 29.608 28.738 -0.693 0.000 1.200 55 Q HN 0.783 9.053 8.270 -0.000 0.000 0.435 56 I N 4.341 124.709 120.570 -0.335 0.000 2.406 56 I HA -0.067 4.103 4.170 -0.001 0.000 0.249 56 I C 0.612 176.780 176.117 0.085 0.000 1.122 56 I CA 1.168 62.413 61.300 -0.092 0.000 1.431 56 I CB -1.208 36.774 38.000 -0.031 0.000 1.087 56 I HN 0.573 8.783 8.210 -0.000 0.000 0.424 57 Y N -1.927 118.331 120.300 -0.070 0.000 2.725 57 Y HA 0.682 5.231 4.550 -0.001 0.000 0.333 57 Y C -1.243 174.610 175.900 -0.078 0.000 1.242 57 Y CA -1.975 56.110 58.100 -0.026 0.000 1.059 57 Y CB 0.705 39.179 38.460 0.023 0.000 1.306 57 Y HN -0.179 8.101 8.280 -0.000 0.000 0.454 58 D N 0.749 121.295 120.400 0.243 0.000 2.481 58 D HA 0.332 4.971 4.640 -0.001 0.000 0.246 58 D C -0.049 176.380 176.300 0.215 0.000 1.109 58 D CA -0.545 53.535 54.000 0.134 0.000 0.845 58 D CB 2.112 42.954 40.800 0.070 0.000 1.160 58 D HN 0.698 9.068 8.370 -0.000 0.000 0.534 59 K N 0.963 121.492 120.400 0.215 0.000 2.044 59 K HA -0.149 4.171 4.320 -0.001 0.000 0.210 59 K C 1.873 178.536 176.600 0.105 0.000 1.049 59 K CA 1.867 58.263 56.287 0.180 0.000 0.927 59 K CB 0.109 32.704 32.500 0.158 0.000 0.713 59 K HN 0.371 8.621 8.250 -0.000 0.000 0.443 60 S N 0.535 116.286 115.700 0.085 0.000 2.343 60 S HA -0.194 4.276 4.470 -0.001 0.000 0.212 60 S C 2.323 176.956 174.600 0.055 0.000 1.033 60 S CA 1.859 60.095 58.200 0.061 0.000 1.004 60 S CB -1.324 61.908 63.200 0.053 0.000 0.977 60 S HN 0.550 8.860 8.310 -0.000 0.000 0.427 61 T N -0.448 114.140 114.554 0.056 0.000 2.778 61 T HA 0.078 4.427 4.350 -0.001 0.000 0.269 61 T C 1.823 176.553 174.700 0.051 0.000 1.050 61 T CA 2.050 64.180 62.100 0.049 0.000 1.137 61 T CB -1.232 67.666 68.868 0.050 0.000 0.860 61 T HN 1.254 9.494 8.240 -0.000 0.000 0.468 62 G N 1.216 110.056 108.800 0.066 0.000 2.205 62 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.261 62 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.261 62 G C 0.374 175.311 174.900 0.061 0.000 0.980 62 G CA 0.162 45.294 45.100 0.053 0.000 0.632 62 G HN 1.400 9.690 8.290 -0.000 0.000 0.533 63 A N -0.379 122.486 122.820 0.075 0.000 2.445 63 A HA 0.633 4.952 4.320 -0.001 0.000 0.242 63 A C 0.284 177.946 177.584 0.130 0.000 1.075 63 A CA 0.775 52.862 52.037 0.082 0.000 0.777 63 A CB 0.964 20.007 19.000 0.071 0.000 1.013 63 A HN 1.229 9.379 8.150 -0.000 0.000 0.493 64 V N 1.617 121.612 119.914 0.135 0.000 2.588 64 V HA 0.579 4.698 4.120 -0.001 0.000 0.304 64 V C 0.575 176.796 176.094 0.211 0.000 1.042 64 V CA -0.333 62.093 62.300 0.209 0.000 0.877 64 V CB 1.457 33.406 31.823 0.211 0.000 0.996 64 V HN 1.268 9.458 8.190 -0.000 0.000 0.425 65 A N 3.653 126.632 122.820 0.265 0.000 2.371 65 A HA 0.684 5.003 4.320 -0.001 0.000 0.257 65 A C 0.395 178.209 177.584 0.384 0.000 1.089 65 A CA -0.089 52.111 52.037 0.272 0.000 0.794 65 A CB 0.345 19.504 19.000 0.264 0.000 1.029 65 A HN 0.791 8.941 8.150 -0.000 0.000 0.488 66 S N 2.365 118.202 115.700 0.228 0.000 2.525 66 S HA 0.743 5.212 4.470 -0.001 0.000 0.290 66 S C -0.507 174.181 174.600 0.147 0.000 1.152 66 S CA -0.473 57.771 58.200 0.073 0.000 1.072 66 S CB 0.606 63.757 63.200 -0.082 0.000 1.027 66 S HN 0.787 9.097 8.310 -0.000 0.000 0.500 67 W N -0.066 121.248 121.300 0.023 0.000 3.018 67 W HA 0.845 5.505 4.660 -0.000 0.000 0.352 67 W C -1.362 175.008 176.519 -0.248 0.000 1.230 67 W CA -1.383 55.869 57.345 -0.155 0.000 1.162 67 W CB 1.100 30.520 29.460 -0.066 0.000 1.483 67 W HN 0.782 8.962 8.180 -0.000 0.000 0.584 68 A N 0.840 123.548 122.820 -0.186 0.000 2.594 68 A HA 0.723 5.043 4.320 -0.001 0.000 0.295 68 A C -1.543 175.830 177.584 -0.352 0.000 1.071 68 A CA -0.503 51.328 52.037 -0.343 0.000 0.685 68 A CB 1.839 20.419 19.000 -0.700 0.000 1.285 68 A HN 0.700 8.850 8.150 -0.000 0.000 0.405 69 T N 0.226 114.735 114.554 -0.075 0.000 2.956 69 T HA 0.731 5.081 4.350 -0.001 0.000 0.312 69 T C -0.836 173.995 174.700 0.220 0.000 1.151 69 T CA 0.351 62.557 62.100 0.177 0.000 1.024 69 T CB 1.172 70.320 68.868 0.467 0.000 1.140 69 T HN 2.016 10.256 8.240 -0.000 0.000 0.473 70 S N 2.788 118.748 115.700 0.433 0.000 2.595 70 S HA 0.992 5.461 4.470 -0.001 0.000 0.281 70 S C -1.231 173.719 174.600 0.583 0.000 1.117 70 S CA -0.822 57.559 58.200 0.301 0.000 0.873 70 S CB 1.785 65.154 63.200 0.281 0.000 1.108 70 S HN 1.141 9.451 8.310 -0.000 0.000 0.477 71 F N -2.424 117.693 119.950 0.279 0.000 2.769 71 F HA 0.687 5.214 4.527 -0.001 0.000 0.313 71 F C -1.253 174.609 175.800 0.103 0.000 1.146 71 F CA -0.876 57.295 58.000 0.286 0.000 0.934 71 F CB 0.799 40.011 39.000 0.353 0.000 1.283 71 F HN 0.560 8.860 8.300 -0.000 0.000 0.443 72 T N 1.801 116.545 114.554 0.316 0.000 2.855 72 T HA 0.885 5.234 4.350 -0.001 0.000 0.281 72 T C -0.683 174.106 174.700 0.148 0.000 1.007 72 T CA -0.284 61.897 62.100 0.134 0.000 1.009 72 T CB 1.526 70.462 68.868 0.113 0.000 0.983 72 T HN 1.086 9.326 8.240 -0.000 0.000 0.455 73 A N 1.855 124.705 122.820 0.051 0.000 2.486 73 A HA 0.848 5.167 4.320 -0.001 0.000 0.300 73 A C -0.447 177.140 177.584 0.006 0.000 1.048 73 A CA -0.797 51.241 52.037 0.002 0.000 0.696 73 A CB 0.907 19.900 19.000 -0.011 0.000 1.278 73 A HN 1.040 9.190 8.150 -0.000 0.000 0.405 74 N N 0.845 119.541 118.700 -0.007 0.000 2.321 74 N HA 0.734 5.474 4.740 -0.001 0.000 0.299 74 N C -1.048 174.456 175.510 -0.010 0.000 1.048 74 N CA -0.455 52.608 53.050 0.022 0.000 0.836 74 N CB 1.305 39.798 38.487 0.011 0.000 1.269 74 N HN 0.629 9.009 8.380 -0.000 0.000 0.486 75 I N 1.185 121.767 120.570 0.020 0.000 2.439 75 I HA 0.611 4.780 4.170 -0.001 0.000 0.285 75 I C -0.407 175.682 176.117 -0.047 0.000 1.021 75 I CA -0.719 60.552 61.300 -0.047 0.000 1.091 75 I CB 1.389 39.399 38.000 0.017 0.000 1.242 75 I HN 0.662 8.872 8.210 -0.000 0.000 0.439 76 F N 3.891 123.787 119.950 -0.089 0.000 2.467 76 F HA 0.910 5.437 4.527 -0.001 0.000 0.336 76 F C -0.181 175.571 175.800 -0.081 0.000 1.123 76 F CA -1.001 56.958 58.000 -0.067 0.000 0.964 76 F CB 1.521 40.489 39.000 -0.053 0.000 1.136 76 F HN 0.614 8.914 8.300 -0.000 0.000 0.447 77 A N 5.136 127.918 122.820 -0.063 0.000 2.410 77 A HA 0.785 5.104 4.320 -0.001 0.000 0.289 77 A C -3.201 174.356 177.584 -0.045 0.000 1.200 77 A CA -1.761 50.245 52.037 -0.051 0.000 0.751 77 A CB 0.644 19.621 19.000 -0.038 0.000 1.161 77 A HN 0.540 8.690 8.150 -0.000 0.000 0.459 78 P HA 0.357 4.777 4.420 -0.000 0.000 0.268 78 P C 0.517 177.786 177.300 -0.051 0.000 1.205 78 P CA 1.367 64.439 63.100 -0.045 0.000 0.771 78 P CB 0.290 31.964 31.700 -0.043 0.000 0.858 79 N N 1.085 119.754 118.700 -0.052 0.000 2.573 79 N HA -0.227 4.513 4.740 -0.001 0.000 0.275 79 N C 1.042 176.524 175.510 -0.046 0.000 1.208 79 N CA 0.991 54.007 53.050 -0.057 0.000 0.688 79 N CB -2.407 36.029 38.487 -0.085 0.000 0.882 79 N HN 0.722 9.102 8.380 -0.000 0.000 0.548 80 K N 0.166 120.540 120.400 -0.044 0.000 2.089 80 K HA -0.242 4.078 4.320 -0.001 0.000 0.210 80 K C 2.209 178.793 176.600 -0.026 0.000 1.048 80 K CA 2.394 58.653 56.287 -0.046 0.000 0.926 80 K CB -0.259 32.205 32.500 -0.060 0.000 0.714 80 K HN 1.051 9.301 8.250 -0.000 0.000 0.448 81 S N -0.222 115.468 115.700 -0.016 0.000 2.595 81 S HA -0.020 4.450 4.470 -0.001 0.000 0.235 81 S C 0.701 175.359 174.600 0.095 0.000 0.974 81 S CA 0.691 58.903 58.200 0.019 0.000 0.942 81 S CB 0.199 63.403 63.200 0.007 0.000 0.766 81 S HN 0.248 8.558 8.310 -0.000 0.000 0.536 82 S N 1.565 117.305 115.700 0.067 0.000 2.661 82 S HA 0.300 4.769 4.470 -0.001 0.000 0.245 82 S C 0.178 174.925 174.600 0.245 0.000 1.117 82 S CA -0.725 57.544 58.200 0.115 0.000 1.091 82 S CB 0.146 63.169 63.200 -0.296 0.000 0.887 82 S HN 0.526 8.836 8.310 -0.000 0.000 0.491 83 S N 1.448 117.259 115.700 0.185 0.000 2.545 83 S HA 0.860 5.330 4.470 -0.001 0.000 0.275 83 S C -0.093 174.603 174.600 0.159 0.000 1.299 83 S CA -0.478 57.795 58.200 0.122 0.000 1.048 83 S CB 1.375 64.591 63.200 0.028 0.000 0.938 83 S HN 0.901 9.211 8.310 -0.000 0.000 0.496 84 A N 1.466 124.385 122.820 0.165 0.000 2.581 84 A HA 0.538 4.858 4.320 -0.001 0.000 0.294 84 A C -0.287 177.431 177.584 0.222 0.000 1.035 84 A CA -0.652 51.477 52.037 0.153 0.000 0.684 84 A CB 0.635 19.701 19.000 0.109 0.000 1.282 84 A HN 0.708 8.858 8.150 -0.000 0.000 0.417 85 D N -0.041 120.481 120.400 0.204 0.000 2.423 85 D HA 0.419 5.058 4.640 -0.001 0.000 0.208 85 D C 0.876 177.284 176.300 0.179 0.000 1.068 85 D CA 1.853 55.934 54.000 0.135 0.000 0.860 85 D CB 1.168 42.023 40.800 0.091 0.000 0.992 85 D HN 1.545 9.915 8.370 -0.000 0.000 0.504 86 G N 0.699 109.664 108.800 0.276 0.000 2.331 86 G HA2 0.018 3.978 3.960 -0.001 0.000 0.402 86 G HA3 0.018 3.978 3.960 -0.001 0.000 0.402 86 G C -1.611 173.409 174.900 0.200 0.000 1.275 86 G CA -0.473 44.834 45.100 0.345 0.000 1.003 86 G HN 0.136 8.426 8.290 -0.000 0.000 0.500 87 I N -0.178 120.565 120.570 0.290 0.000 2.865 87 I HA 0.814 4.983 4.170 -0.001 0.000 0.302 87 I C -0.346 175.979 176.117 0.347 0.000 1.140 87 I CA -0.752 60.671 61.300 0.204 0.000 1.021 87 I CB 1.940 40.078 38.000 0.230 0.000 1.233 87 I HN 1.787 9.997 8.210 -0.000 0.000 0.427 88 A N 5.248 128.229 122.820 0.269 0.000 2.515 88 A HA 0.661 4.981 4.320 -0.001 0.000 0.298 88 A C -1.846 175.917 177.584 0.300 0.000 1.059 88 A CA -0.418 51.827 52.037 0.346 0.000 0.698 88 A CB 1.357 20.474 19.000 0.195 0.000 1.289 88 A HN 0.609 8.759 8.150 -0.000 0.000 0.404 89 F N 1.876 121.977 119.950 0.252 0.000 2.408 89 F HA 0.734 5.261 4.527 -0.001 0.000 0.344 89 F C 0.187 176.006 175.800 0.031 0.000 1.112 89 F CA -0.034 57.990 58.000 0.041 0.000 1.096 89 F CB 1.225 40.379 39.000 0.257 0.000 1.129 89 F HN 0.921 9.221 8.300 -0.000 0.000 0.486 90 A N 5.328 127.629 122.820 -0.864 0.000 2.566 90 A HA 0.825 5.145 4.320 -0.001 0.000 0.292 90 A C -2.214 175.044 177.584 -0.543 0.000 1.112 90 A CA -0.738 50.987 52.037 -0.520 0.000 0.707 90 A CB 1.463 20.308 19.000 -0.258 0.000 1.302 90 A HN 0.647 8.797 8.150 -0.000 0.000 0.409 91 L N 1.111 122.159 121.223 -0.291 0.000 2.342 91 L HA 0.630 4.969 4.340 -0.001 0.000 0.276 91 L C -0.105 176.669 176.870 -0.160 0.000 0.997 91 L CA -0.433 54.270 54.840 -0.228 0.000 0.838 91 L CB 1.426 43.373 42.059 -0.188 0.000 1.224 91 L HN 0.772 9.002 8.230 -0.000 0.000 0.416 92 V N 1.197 121.003 119.914 -0.181 0.000 3.074 92 V HA 0.833 4.953 4.120 -0.001 0.000 0.314 92 V C -2.711 173.258 176.094 -0.207 0.000 1.117 92 V CA -2.790 59.394 62.300 -0.194 0.000 1.014 92 V CB 2.075 33.754 31.823 -0.240 0.000 1.057 92 V HN 0.430 8.620 8.190 -0.000 0.000 0.438 93 P HA 0.200 4.620 4.420 -0.000 0.000 0.268 93 P C 1.249 178.428 177.300 -0.202 0.000 1.204 93 P CA 0.440 63.453 63.100 -0.144 0.000 0.768 93 P CB 0.930 32.567 31.700 -0.105 0.000 0.842 94 V N 2.579 122.385 119.914 -0.181 0.000 2.232 94 V HA -0.329 3.791 4.120 -0.001 0.000 0.254 94 V C 2.106 178.061 176.094 -0.232 0.000 1.058 94 V CA 2.568 64.742 62.300 -0.210 0.000 1.048 94 V CB -2.414 29.313 31.823 -0.160 0.000 0.668 94 V HN 0.641 8.831 8.190 -0.000 0.000 0.462 95 G N -0.478 108.218 108.800 -0.173 0.000 2.535 95 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.218 95 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.218 95 G C 0.944 175.745 174.900 -0.166 0.000 1.122 95 G CA 0.792 45.800 45.100 -0.154 0.000 0.769 95 G HN 0.954 9.244 8.290 -0.000 0.000 0.549 96 S N 0.856 116.436 115.700 -0.199 0.000 3.799 96 S HA -0.078 4.391 4.470 -0.001 0.000 0.454 96 S C 0.301 174.808 174.600 -0.155 0.000 1.130 96 S CA 0.232 58.317 58.200 -0.191 0.000 0.966 96 S CB 0.002 63.045 63.200 -0.261 0.000 0.680 96 S HN 0.368 8.678 8.310 -0.000 0.000 0.496 97 E N 5.019 125.159 120.200 -0.100 0.000 2.248 97 E HA 0.437 4.786 4.350 -0.001 0.000 0.272 97 E C -2.165 174.406 176.600 -0.048 0.000 1.008 97 E CA -2.304 54.059 56.400 -0.061 0.000 0.856 97 E CB 0.578 30.248 29.700 -0.050 0.000 1.120 97 E HN 0.422 8.782 8.360 -0.000 0.000 0.397 98 P HA -0.022 4.398 4.420 -0.000 0.000 0.269 98 P C 0.076 177.354 177.300 -0.036 0.000 1.211 98 P CA 0.229 63.322 63.100 -0.011 0.000 0.781 98 P CB 0.692 32.396 31.700 0.007 0.000 0.877 99 K N 0.211 120.583 120.400 -0.045 0.000 2.512 99 K HA 0.407 4.726 4.320 -0.001 0.000 0.272 99 K C 0.418 176.999 176.600 -0.032 0.000 1.033 99 K CA -0.597 55.653 56.287 -0.061 0.000 1.096 99 K CB -0.200 32.244 32.500 -0.093 0.000 1.498 99 K HN 0.310 8.560 8.250 -0.000 0.000 0.629 100 S N 1.850 117.518 115.700 -0.054 0.000 2.566 100 S HA 0.003 4.472 4.470 -0.001 0.000 0.280 100 S C 0.605 175.295 174.600 0.149 0.000 1.343 100 S CA -0.387 57.814 58.200 0.002 0.000 1.036 100 S CB -0.061 63.020 63.200 -0.199 0.000 0.866 100 S HN 0.594 8.904 8.310 -0.000 0.000 0.526 105 L N 0.484 121.829 121.223 0.203 0.000 4.137 105 L HA -0.287 4.053 4.340 -0.001 0.000 0.421 105 L C 1.347 178.243 176.870 0.044 0.000 1.162 105 L CA 0.977 55.877 54.840 0.101 0.000 0.978 105 L CB -2.125 39.993 42.059 0.098 0.000 1.957 105 L HN 0.638 8.868 8.230 -0.000 0.000 0.978 106 G N -1.052 107.793 108.800 0.076 0.000 2.179 106 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.257 106 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.257 106 G C 0.543 175.402 174.900 -0.068 0.000 1.010 106 G CA 0.779 45.885 45.100 0.011 0.000 0.736 106 G HN 1.061 9.351 8.290 -0.000 0.000 0.513 107 V N -5.522 114.301 119.914 -0.150 0.000 3.426 107 V HA 0.714 4.833 4.120 -0.001 0.000 0.271 107 V C 0.534 176.231 176.094 -0.662 0.000 1.530 107 V CA 0.047 62.090 62.300 -0.428 0.000 1.021 107 V CB -0.160 31.286 31.823 -0.628 0.000 0.824 107 V HN 0.263 8.453 8.190 -0.000 0.000 0.432 108 F N 0.703 120.664 119.950 0.018 0.000 2.611 108 F HA 0.765 5.292 4.527 -0.001 0.000 0.324 108 F C 0.732 176.399 175.800 -0.222 0.000 1.061 108 F CA -1.130 56.840 58.000 -0.050 0.000 0.954 108 F CB 1.655 40.665 39.000 0.017 0.000 1.301 108 F HN -0.231 8.069 8.300 -0.000 0.000 0.482 109 D N -0.782 119.536 120.400 -0.136 0.000 2.455 109 D HA 0.108 4.748 4.640 -0.001 0.000 0.228 109 D C 0.223 176.048 176.300 -0.792 0.000 1.070 109 D CA 0.778 54.466 54.000 -0.520 0.000 0.881 109 D CB 0.843 41.487 40.800 -0.259 0.000 1.087 109 D HN 0.380 8.750 8.370 -0.000 0.000 0.498 110 S N 0.131 115.616 115.700 -0.359 0.000 2.638 110 S HA 0.291 4.760 4.470 -0.001 0.000 0.274 110 S C -0.832 173.750 174.600 -0.030 0.000 1.157 110 S CA -0.697 57.428 58.200 -0.125 0.000 0.826 110 S CB 1.890 65.041 63.200 -0.083 0.000 1.139 110 S HN -0.128 8.182 8.310 -0.000 0.000 0.474 111 D N 0.439 120.827 120.400 -0.021 0.000 2.336 111 D HA 0.212 4.852 4.640 -0.001 0.000 0.228 111 D C 0.101 176.351 176.300 -0.083 0.000 1.120 111 D CA -0.088 53.812 54.000 -0.167 0.000 0.839 111 D CB -0.141 40.596 40.800 -0.105 0.000 0.932 111 D HN 0.269 8.639 8.370 -0.000 0.000 0.509 112 V N 1.416 121.298 119.914 -0.054 0.000 2.435 112 V HA 0.144 4.263 4.120 -0.001 0.000 0.290 112 V C -0.589 175.502 176.094 -0.006 0.000 1.030 112 V CA -1.281 61.017 62.300 -0.004 0.000 0.881 112 V CB 1.204 33.040 31.823 0.021 0.000 0.983 112 V HN 0.108 8.298 8.190 -0.000 0.000 0.445 113 Y N 4.143 124.391 120.300 -0.087 0.000 2.805 113 Y HA 0.160 4.710 4.550 -0.001 0.000 0.331 113 Y C 0.141 176.009 175.900 -0.054 0.000 1.241 113 Y CA 0.444 58.493 58.100 -0.085 0.000 1.546 113 Y CB 0.337 38.760 38.460 -0.061 0.000 1.248 113 Y HN 0.732 9.012 8.280 -0.000 0.000 0.559 114 D N 5.099 125.325 120.400 -0.290 0.000 2.330 114 D HA 0.109 4.748 4.640 -0.001 0.000 0.249 114 D C 0.408 176.548 176.300 -0.266 0.000 1.306 114 D CA -0.392 53.530 54.000 -0.130 0.000 0.956 114 D CB 0.238 40.989 40.800 -0.082 0.000 1.261 114 D HN 0.680 9.050 8.370 -0.000 0.000 0.544 115 N N 1.119 119.732 118.700 -0.144 0.000 2.258 115 N HA -0.234 4.505 4.740 -0.001 0.000 0.187 115 N C 1.630 177.112 175.510 -0.046 0.000 1.012 115 N CA 1.904 54.905 53.050 -0.081 0.000 0.870 115 N CB 0.275 38.867 38.487 0.175 0.000 0.977 115 N HN 0.356 8.736 8.380 -0.000 0.000 0.434 116 S N -1.041 114.644 115.700 -0.026 0.000 2.442 116 S HA -0.052 4.418 4.470 -0.001 0.000 0.236 116 S C 1.994 176.576 174.600 -0.030 0.000 1.007 116 S CA 0.802 58.992 58.200 -0.017 0.000 0.965 116 S CB -0.457 62.737 63.200 -0.011 0.000 0.773 116 S HN 0.398 8.708 8.310 -0.000 0.000 0.504 117 A N 0.867 123.659 122.820 -0.046 0.000 1.930 117 A HA 0.005 4.324 4.320 -0.001 0.000 0.217 117 A C 1.272 178.846 177.584 -0.018 0.000 1.175 117 A CA 1.167 53.192 52.037 -0.018 0.000 0.627 117 A CB -0.587 18.435 19.000 0.035 0.000 0.815 117 A HN 0.481 8.631 8.150 -0.000 0.000 0.443 118 Q N -0.190 119.595 119.800 -0.025 0.000 2.435 118 Q HA -0.144 4.196 4.340 -0.001 0.000 0.312 118 Q C -0.808 175.189 176.000 -0.004 0.000 1.333 118 Q CA 1.427 57.225 55.803 -0.009 0.000 0.883 118 Q CB -2.447 26.285 28.738 -0.009 0.000 1.170 118 Q HN 0.594 8.864 8.270 -0.000 0.000 0.443 119 T N -0.698 113.881 114.554 0.042 0.000 2.916 119 T HA 0.662 5.012 4.350 -0.001 0.000 0.298 119 T C -0.402 174.406 174.700 0.180 0.000 1.031 119 T CA -0.487 61.645 62.100 0.053 0.000 0.993 119 T CB 2.470 71.312 68.868 -0.043 0.000 1.045 119 T HN 0.017 8.257 8.240 -0.000 0.000 0.454 120 V N 1.998 121.979 119.914 0.113 0.000 2.709 120 V HA 0.955 5.074 4.120 -0.001 0.000 0.308 120 V C -0.459 175.728 176.094 0.154 0.000 1.062 120 V CA -0.625 61.784 62.300 0.182 0.000 0.901 120 V CB 1.700 33.600 31.823 0.129 0.000 1.003 120 V HN 1.158 9.348 8.190 -0.000 0.000 0.425 121 A N 3.626 126.592 122.820 0.244 0.000 2.606 121 A HA 0.899 5.218 4.320 -0.001 0.000 0.293 121 A C -1.577 176.153 177.584 0.243 0.000 1.082 121 A CA -0.574 51.583 52.037 0.200 0.000 0.685 121 A CB 2.161 21.229 19.000 0.113 0.000 1.284 121 A HN 0.654 8.804 8.150 -0.000 0.000 0.408 122 V N 2.278 122.361 119.914 0.281 0.000 2.357 122 V HA 0.402 4.521 4.120 -0.001 0.000 0.284 122 V C 0.052 176.199 176.094 0.088 0.000 1.018 122 V CA -0.293 62.114 62.300 0.179 0.000 0.841 122 V CB 1.036 33.028 31.823 0.282 0.000 0.991 122 V HN 0.996 9.186 8.190 -0.000 0.000 0.437 123 E N 4.212 124.362 120.200 -0.084 0.000 2.248 123 E HA 0.599 4.948 4.350 -0.001 0.000 0.272 123 E C -1.449 174.867 176.600 -0.473 0.000 1.008 123 E CA -0.652 55.713 56.400 -0.058 0.000 0.856 123 E CB 1.531 31.279 29.700 0.080 0.000 1.120 123 E HN 0.430 8.790 8.360 -0.000 0.000 0.397 124 F N 1.285 121.267 119.950 0.052 0.000 2.622 124 F HA 0.204 4.731 4.527 -0.001 0.000 0.338 124 F C -0.281 175.624 175.800 0.174 0.000 1.334 124 F CA -0.933 57.052 58.000 -0.026 0.000 1.179 124 F CB 0.962 39.857 39.000 -0.175 0.000 1.471 124 F HN 0.436 8.736 8.300 -0.000 0.000 0.576 125 D N 1.235 121.665 120.400 0.050 0.000 2.417 125 D HA 0.063 4.702 4.640 -0.001 0.000 0.250 125 D C 1.222 177.568 176.300 0.077 0.000 1.166 125 D CA 0.531 54.504 54.000 -0.045 0.000 0.881 125 D CB 1.375 41.859 40.800 -0.527 0.000 1.164 125 D HN 0.541 8.911 8.370 -0.000 0.000 0.467 126 T N -0.638 113.998 114.554 0.136 0.000 2.971 126 T HA 0.250 4.600 4.350 -0.001 0.000 0.252 126 T C 0.678 175.389 174.700 0.018 0.000 1.022 126 T CA -0.231 61.903 62.100 0.056 0.000 0.980 126 T CB -0.259 68.662 68.868 0.087 0.000 1.044 126 T HN 0.195 8.435 8.240 -0.000 0.000 0.501 127 F N 1.022 120.991 119.950 0.032 0.000 2.467 127 F HA 0.798 5.324 4.527 -0.001 0.000 0.336 127 F C 0.385 176.170 175.800 -0.026 0.000 1.123 127 F CA -1.765 56.215 58.000 -0.032 0.000 0.964 127 F CB 1.422 40.370 39.000 -0.087 0.000 1.136 127 F HN 0.168 8.468 8.300 -0.000 0.000 0.447 128 S N 2.742 118.410 115.700 -0.054 0.000 2.494 128 S HA 0.237 4.706 4.470 -0.001 0.000 0.312 128 S C -0.116 174.341 174.600 -0.238 0.000 1.121 128 S CA -0.384 57.776 58.200 -0.068 0.000 1.068 128 S CB -1.261 61.912 63.200 -0.045 0.000 1.141 128 S HN 0.670 8.980 8.310 -0.000 0.000 0.527 129 N N 3.714 122.170 118.700 -0.406 0.000 2.402 129 N HA 0.120 4.859 4.740 -0.001 0.000 0.259 129 N C 0.763 175.824 175.510 -0.748 0.000 1.167 129 N CA -0.210 52.394 53.050 -0.745 0.000 0.949 129 N CB 0.723 38.364 38.487 -1.409 0.000 1.212 129 N HN 0.638 9.018 8.380 -0.000 0.000 0.493 133 D N 3.875 124.150 120.400 -0.209 0.000 2.339 133 D HA 0.351 4.990 4.640 -0.001 0.000 0.245 133 D C -2.005 174.194 176.300 -0.169 0.000 1.115 133 D CA -0.923 53.022 54.000 -0.091 0.000 0.917 133 D CB 0.969 41.713 40.800 -0.094 0.000 1.192 133 D HN -0.148 8.222 8.370 -0.000 0.000 0.428 134 P HA 0.145 4.565 4.420 -0.000 0.000 0.276 134 P C 0.710 177.944 177.300 -0.110 0.000 1.252 134 P CA -0.318 62.668 63.100 -0.189 0.000 0.802 134 P CB 0.394 31.950 31.700 -0.240 0.000 1.035 135 T N -1.900 112.619 114.554 -0.059 0.000 2.721 135 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 135 T C 1.036 175.739 174.700 0.005 0.000 1.038 135 T CA 1.686 63.768 62.100 -0.029 0.000 1.145 135 T CB -0.607 68.249 68.868 -0.019 0.000 0.858 135 T HN 0.652 8.892 8.240 -0.000 0.000 0.459 136 S N 0.039 115.766 115.700 0.045 0.000 2.751 136 S HA 0.602 5.072 4.470 -0.001 0.000 0.310 136 S C -0.625 174.091 174.600 0.194 0.000 1.128 136 S CA -1.354 56.890 58.200 0.073 0.000 0.931 136 S CB 1.528 64.753 63.200 0.041 0.000 1.177 136 S HN 0.284 8.594 8.310 -0.000 0.000 0.530 137 R N 1.843 122.395 120.500 0.087 0.000 2.583 137 R HA 0.305 4.644 4.340 -0.001 0.000 0.274 137 R C 0.339 176.800 176.300 0.268 0.000 0.998 137 R CA 0.436 56.581 56.100 0.074 0.000 1.081 137 R CB -0.144 29.987 30.300 -0.282 0.000 0.940 137 R HN 0.805 9.075 8.270 -0.000 0.000 0.413 138 H N 0.459 119.707 119.070 0.297 0.000 2.960 138 H HA 0.488 5.044 4.556 -0.001 0.000 0.338 138 H C -0.782 174.687 175.328 0.236 0.000 1.261 138 H CA -1.164 55.042 56.048 0.264 0.000 1.136 138 H CB 1.258 31.106 29.762 0.143 0.000 1.875 138 H HN 0.352 8.632 8.280 -0.000 0.000 0.550 139 I N 0.880 121.526 120.570 0.125 0.000 2.406 139 I HA 0.539 4.708 4.170 -0.001 0.000 0.290 139 I C 0.271 176.369 176.117 -0.031 0.000 0.999 139 I CA -0.554 60.628 61.300 -0.197 0.000 1.124 139 I CB 1.883 39.732 38.000 -0.252 0.000 1.289 139 I HN 0.764 8.974 8.210 -0.000 0.000 0.441 140 G N 6.207 114.961 108.800 -0.077 0.000 2.605 140 G HA2 0.780 4.739 3.960 -0.001 0.000 0.296 140 G HA3 0.780 4.739 3.960 -0.001 0.000 0.296 140 G C -1.071 173.836 174.900 0.013 0.000 1.304 140 G CA -0.576 44.559 45.100 0.058 0.000 0.941 140 G HN 0.467 8.757 8.290 -0.000 0.000 0.475 141 I N 1.630 122.234 120.570 0.057 0.000 2.359 141 I HA 0.228 4.397 4.170 -0.001 0.000 0.284 141 I C -1.083 175.083 176.117 0.081 0.000 1.018 141 I CA -0.738 60.610 61.300 0.080 0.000 1.173 141 I CB 1.651 39.701 38.000 0.084 0.000 1.326 141 I HN 0.219 8.429 8.210 -0.000 0.000 0.462 142 D N 6.774 127.242 120.400 0.114 0.000 2.280 142 D HA 0.346 4.985 4.640 -0.001 0.000 0.236 142 D C -0.390 175.950 176.300 0.067 0.000 1.082 142 D CA -0.170 53.864 54.000 0.056 0.000 0.834 142 D CB 2.396 43.292 40.800 0.160 0.000 1.100 142 D HN 0.044 8.414 8.370 -0.000 0.000 0.486 143 V N 3.712 123.593 119.914 -0.056 0.000 2.325 143 V HA 0.230 4.349 4.120 -0.001 0.000 0.280 143 V C 0.294 176.246 176.094 -0.237 0.000 1.016 143 V CA -0.947 61.336 62.300 -0.027 0.000 0.818 143 V CB 0.444 32.307 31.823 0.066 0.000 1.019 143 V HN 0.577 8.767 8.190 -0.000 0.000 0.434 144 N N 2.200 120.747 118.700 -0.255 0.000 2.735 144 N HA -0.185 4.555 4.740 -0.001 0.000 0.248 144 N C -0.013 175.085 175.510 -0.687 0.000 1.083 144 N CA 1.531 54.334 53.050 -0.412 0.000 0.703 144 N CB -0.513 37.556 38.487 -0.697 0.000 1.005 144 N HN 0.957 9.337 8.380 -0.000 0.000 0.550 145 S N -0.910 114.051 115.700 -1.232 0.000 2.606 145 S HA 0.302 4.771 4.470 -0.001 0.000 0.290 145 S C 0.189 174.083 174.600 -1.177 0.000 1.103 145 S CA -0.740 56.886 58.200 -0.956 0.000 0.870 145 S CB 0.600 63.542 63.200 -0.430 0.000 1.077 145 S HN 0.024 8.334 8.310 -0.000 0.000 0.448 146 I N 2.609 122.715 120.570 -0.774 0.000 3.334 146 I HA 0.270 4.439 4.170 -0.001 0.000 0.282 146 I C 0.684 176.442 176.117 -0.597 0.000 1.313 146 I CA 0.917 61.878 61.300 -0.565 0.000 1.396 146 I CB -0.291 37.292 38.000 -0.695 0.000 1.054 146 I HN 0.490 8.700 8.210 -0.000 0.000 0.495 147 K N 1.555 121.672 120.400 -0.472 0.000 2.263 147 K HA 0.250 4.570 4.320 -0.001 0.000 0.282 147 K C 0.053 176.585 176.600 -0.114 0.000 1.089 147 K CA -0.130 56.029 56.287 -0.213 0.000 0.907 147 K CB 0.678 33.109 32.500 -0.114 0.000 1.148 147 K HN 0.124 8.374 8.250 -0.000 0.000 0.470 148 S N 2.943 118.632 115.700 -0.017 0.000 2.573 148 S HA 0.011 4.481 4.470 -0.001 0.000 0.277 148 S C 1.590 176.201 174.600 0.019 0.000 1.346 148 S CA -0.352 57.861 58.200 0.020 0.000 1.034 148 S CB 0.461 63.715 63.200 0.089 0.000 0.879 148 S HN 0.700 9.010 8.310 -0.000 0.000 0.528 149 I N -2.237 118.350 120.570 0.029 0.000 3.883 149 I HA 0.467 4.637 4.170 -0.001 0.000 0.326 149 I C 0.572 176.712 176.117 0.039 0.000 1.283 149 I CA -0.277 61.044 61.300 0.035 0.000 1.161 149 I CB -0.289 37.739 38.000 0.046 0.000 1.012 149 I HN 0.528 8.738 8.210 -0.000 0.000 0.421 150 R N 1.222 121.749 120.500 0.045 0.000 2.736 150 R HA 0.604 4.943 4.340 -0.001 0.000 0.250 150 R C -0.636 175.699 176.300 0.058 0.000 1.098 150 R CA -0.048 56.079 56.100 0.046 0.000 0.978 150 R CB -0.083 30.245 30.300 0.047 0.000 1.263 150 R HN 0.403 8.673 8.270 -0.000 0.000 0.460 151 T N -1.215 113.374 114.554 0.060 0.000 2.865 151 T HA 0.974 5.323 4.350 -0.001 0.000 0.294 151 T C -0.330 174.431 174.700 0.102 0.000 1.119 151 T CA -0.416 61.739 62.100 0.092 0.000 1.007 151 T CB 2.142 71.050 68.868 0.067 0.000 1.225 151 T HN 2.215 10.455 8.240 -0.000 0.000 0.515 152 A N 0.705 123.615 122.820 0.150 0.000 2.488 152 A HA 0.731 5.050 4.320 -0.001 0.000 0.298 152 A C -0.115 177.604 177.584 0.225 0.000 1.044 152 A CA -0.805 51.332 52.037 0.167 0.000 0.693 152 A CB 1.563 20.659 19.000 0.160 0.000 1.272 152 A HN 0.804 8.954 8.150 -0.000 0.000 0.402 153 S N 1.091 116.924 115.700 0.222 0.000 2.549 153 S HA 0.303 4.772 4.470 -0.001 0.000 0.286 153 S C -0.787 173.956 174.600 0.238 0.000 1.314 153 S CA 0.644 58.981 58.200 0.229 0.000 1.062 153 S CB 0.005 63.325 63.200 0.200 0.000 0.865 153 S HN 0.841 9.151 8.310 -0.000 0.000 0.498 154 W N 3.524 124.758 121.300 -0.112 0.000 2.554 154 W HA 0.589 5.249 4.660 -0.001 0.000 0.324 154 W C -0.172 176.168 176.519 -0.298 0.000 1.018 154 W CA -1.683 55.370 57.345 -0.487 0.000 1.243 154 W CB 0.401 29.667 29.460 -0.324 0.000 1.345 154 W HN 0.635 8.815 8.180 -0.000 0.000 0.441 155 G N 6.367 115.005 108.800 -0.271 0.000 2.444 155 G HA2 0.343 4.302 3.960 -0.001 0.000 0.303 155 G HA3 0.343 4.302 3.960 -0.001 0.000 0.303 155 G C -1.036 173.682 174.900 -0.305 0.000 1.032 155 G CA -0.654 44.373 45.100 -0.123 0.000 1.137 155 G HN 0.684 8.974 8.290 -0.000 0.000 0.430 156 L N 3.449 124.239 121.223 -0.722 0.000 2.418 156 L HA 0.581 4.921 4.340 -0.001 0.000 0.274 156 L C 0.625 177.311 176.870 -0.307 0.000 1.135 156 L CA -0.324 54.136 54.840 -0.633 0.000 0.870 156 L CB 0.825 42.359 42.059 -0.874 0.000 1.154 156 L HN 0.438 8.668 8.230 -0.000 0.000 0.462 157 A N 4.687 127.281 122.820 -0.377 0.000 2.736 157 A HA 0.295 4.615 4.320 -0.001 0.000 0.335 157 A C 0.107 177.568 177.584 -0.205 0.000 1.446 157 A CA -0.634 51.132 52.037 -0.451 0.000 1.028 157 A CB -0.756 17.697 19.000 -0.913 0.000 1.154 157 A HN 0.818 8.968 8.150 -0.000 0.000 0.507 158 N N 1.683 120.302 118.700 -0.135 0.000 2.294 158 N HA 0.193 4.933 4.740 -0.001 0.000 0.263 158 N C 1.489 176.970 175.510 -0.049 0.000 1.281 158 N CA 2.073 55.078 53.050 -0.075 0.000 0.846 158 N CB 0.288 38.728 38.487 -0.079 0.000 1.061 158 N HN 1.157 9.537 8.380 -0.000 0.000 0.478 159 G N 2.491 111.279 108.800 -0.021 0.000 2.396 159 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.242 159 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.242 159 G C -0.040 174.869 174.900 0.015 0.000 1.069 159 G CA 0.460 45.554 45.100 -0.011 0.000 0.633 159 G HN 0.690 8.980 8.290 -0.000 0.000 0.517 160 Q N 1.050 120.862 119.800 0.020 0.000 2.368 160 Q HA 0.318 4.658 4.340 -0.001 0.000 0.237 160 Q C 0.250 176.351 176.000 0.169 0.000 0.987 160 Q CA -0.230 55.614 55.803 0.067 0.000 0.896 160 Q CB 0.531 29.281 28.738 0.020 0.000 1.241 160 Q HN 0.656 8.926 8.270 -0.000 0.000 0.485 161 N N -0.457 118.349 118.700 0.177 0.000 2.513 161 N HA 0.405 5.145 4.740 -0.001 0.000 0.274 161 N C -1.014 174.627 175.510 0.219 0.000 1.189 161 N CA -0.299 52.849 53.050 0.163 0.000 0.975 161 N CB 0.811 39.357 38.487 0.098 0.000 1.157 161 N HN 0.569 8.949 8.380 -0.000 0.000 0.465 162 A N 1.529 124.373 122.820 0.040 0.000 2.335 162 A HA 0.276 4.595 4.320 -0.001 0.000 0.304 162 A C -0.798 176.677 177.584 -0.180 0.000 1.118 162 A CA -0.644 51.280 52.037 -0.187 0.000 0.757 162 A CB 0.778 19.597 19.000 -0.303 0.000 1.188 162 A HN 0.646 8.796 8.150 -0.000 0.000 0.460 163 E N 1.933 122.030 120.200 -0.173 0.000 2.081 163 E HA 0.413 4.763 4.350 -0.001 0.000 0.276 163 E C -0.613 175.836 176.600 -0.252 0.000 0.950 163 E CA -0.346 55.960 56.400 -0.157 0.000 0.776 163 E CB 1.392 31.053 29.700 -0.064 0.000 1.094 163 E HN 0.680 9.040 8.360 -0.000 0.000 0.402 164 I N 1.105 121.415 120.570 -0.435 0.000 2.750 164 I HA 0.616 4.785 4.170 -0.001 0.000 0.308 164 I C -1.454 174.430 176.117 -0.389 0.000 1.016 164 I CA -1.104 59.912 61.300 -0.473 0.000 1.098 164 I CB 1.390 38.943 38.000 -0.745 0.000 1.279 164 I HN 0.329 8.539 8.210 -0.000 0.000 0.454 165 L N 6.327 127.427 121.223 -0.204 0.000 2.528 165 L HA 0.664 5.003 4.340 -0.001 0.000 0.267 165 L C -1.703 175.135 176.870 -0.053 0.000 0.961 165 L CA -0.142 54.634 54.840 -0.108 0.000 0.866 165 L CB 1.372 43.399 42.059 -0.054 0.000 1.248 165 L HN 0.679 8.909 8.230 -0.000 0.000 0.404 166 I N 3.964 124.518 120.570 -0.027 0.000 2.441 166 I HA 0.735 4.905 4.170 -0.001 0.000 0.295 166 I C -0.148 175.922 176.117 -0.078 0.000 0.994 166 I CA -0.270 61.044 61.300 0.024 0.000 1.144 166 I CB 2.245 40.346 38.000 0.169 0.000 1.314 166 I HN 0.751 8.961 8.210 -0.000 0.000 0.445 167 T N 2.104 116.545 114.554 -0.188 0.000 2.933 167 T HA 0.494 4.844 4.350 -0.001 0.000 0.305 167 T C -1.390 173.006 174.700 -0.507 0.000 1.092 167 T CA -0.742 61.119 62.100 -0.398 0.000 1.008 167 T CB 1.584 70.269 68.868 -0.306 0.000 1.102 167 T HN 0.407 8.647 8.240 -0.000 0.000 0.469 168 Y N 3.138 122.822 120.300 -1.027 0.000 2.332 168 Y HA 0.569 5.119 4.550 -0.001 0.000 0.326 168 Y C -0.608 174.957 175.900 -0.557 0.000 0.978 168 Y CA -1.254 56.328 58.100 -0.862 0.000 1.205 168 Y CB 1.308 38.993 38.460 -1.292 0.000 1.131 168 Y HN 0.834 9.114 8.280 -0.000 0.000 0.462 169 N N 4.460 122.642 118.700 -0.864 0.000 2.415 169 N HA 0.264 5.003 4.740 -0.001 0.000 0.246 169 N C 0.616 175.630 175.510 -0.827 0.000 1.078 169 N CA 0.579 53.243 53.050 -0.644 0.000 0.942 169 N CB 1.545 39.795 38.487 -0.395 0.000 1.140 169 N HN 0.853 9.233 8.380 -0.000 0.000 0.501 170 A N 3.833 126.314 122.820 -0.565 0.000 2.019 170 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 170 A C 2.009 179.476 177.584 -0.195 0.000 1.164 170 A CA 1.718 53.567 52.037 -0.314 0.000 0.644 170 A CB -0.631 18.358 19.000 -0.017 0.000 0.805 170 A HN 0.725 8.875 8.150 -0.000 0.000 0.449 171 A N -0.417 122.292 122.820 -0.185 0.000 1.930 171 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 171 A C 2.318 179.831 177.584 -0.119 0.000 1.175 171 A CA 2.301 54.268 52.037 -0.118 0.000 0.627 171 A CB -0.923 18.016 19.000 -0.103 0.000 0.815 171 A HN 0.777 8.927 8.150 -0.000 0.000 0.443 172 T N -5.506 108.946 114.554 -0.171 0.000 3.022 172 T HA 0.236 4.585 4.350 -0.001 0.000 0.250 172 T C 0.731 175.350 174.700 -0.136 0.000 1.060 172 T CA 0.941 62.960 62.100 -0.135 0.000 1.013 172 T CB -0.025 68.762 68.868 -0.136 0.000 0.982 172 T HN 0.556 8.796 8.240 -0.000 0.000 0.508 173 S N 0.061 115.624 115.700 -0.229 0.000 3.476 173 S HA -0.129 4.340 4.470 -0.001 0.000 0.309 173 S C -0.189 174.383 174.600 -0.046 0.000 1.222 173 S CA 0.406 58.532 58.200 -0.123 0.000 0.922 173 S CB -1.892 61.346 63.200 0.062 0.000 1.023 173 S HN 0.673 8.983 8.310 -0.000 0.000 0.591 174 L N 1.553 122.645 121.223 -0.217 0.000 2.289 174 L HA 0.749 5.089 4.340 -0.001 0.000 0.285 174 L C -0.377 176.453 176.870 -0.067 0.000 1.049 174 L CA -0.358 54.429 54.840 -0.088 0.000 0.804 174 L CB 1.202 43.199 42.059 -0.104 0.000 1.195 174 L HN 0.290 8.520 8.230 -0.000 0.000 0.428 175 L N 6.292 127.581 121.223 0.111 0.000 2.296 175 L HA 0.727 5.067 4.340 -0.001 0.000 0.286 175 L C -1.098 175.798 176.870 0.044 0.000 1.023 175 L CA -0.172 54.754 54.840 0.143 0.000 0.812 175 L CB 1.662 43.870 42.059 0.248 0.000 1.223 175 L HN 0.410 8.640 8.230 -0.000 0.000 0.421 176 V N 4.046 123.954 119.914 -0.011 0.000 2.735 176 V HA 0.963 5.083 4.120 -0.001 0.000 0.310 176 V C -0.239 175.857 176.094 0.003 0.000 1.061 176 V CA -0.378 61.915 62.300 -0.010 0.000 0.913 176 V CB 1.387 33.184 31.823 -0.044 0.000 1.005 176 V HN 0.975 9.165 8.190 -0.000 0.000 0.428 177 A N 2.841 125.675 122.820 0.024 0.000 2.475 177 A HA 0.994 5.313 4.320 -0.001 0.000 0.301 177 A C -0.484 177.124 177.584 0.040 0.000 1.059 177 A CA -0.465 51.597 52.037 0.042 0.000 0.710 177 A CB 2.124 21.160 19.000 0.061 0.000 1.288 177 A HN 1.331 9.481 8.150 -0.000 0.000 0.408 178 S N -0.733 114.993 115.700 0.042 0.000 2.649 178 S HA 0.712 5.182 4.470 -0.001 0.000 0.274 178 S C -0.524 174.084 174.600 0.013 0.000 1.176 178 S CA -0.088 58.139 58.200 0.045 0.000 0.988 178 S CB 0.255 63.467 63.200 0.020 0.000 1.071 178 S HN 2.176 10.486 8.310 -0.000 0.000 0.478 179 L N 2.048 123.293 121.223 0.036 0.000 2.334 179 L HA 1.041 5.380 4.340 -0.001 0.000 0.275 179 L C -0.268 176.611 176.870 0.015 0.000 1.036 179 L CA -1.020 53.757 54.840 -0.105 0.000 0.807 179 L CB 0.912 42.763 42.059 -0.346 0.000 1.231 179 L HN 0.869 9.099 8.230 -0.000 0.000 0.438 180 V N 1.275 121.135 119.914 -0.091 0.000 2.711 180 V HA 0.387 4.507 4.120 -0.001 0.000 0.304 180 V C -0.926 175.143 176.094 -0.042 0.000 1.097 180 V CA -0.593 61.708 62.300 0.001 0.000 0.906 180 V CB 1.425 33.248 31.823 0.001 0.000 1.015 180 V HN 1.015 9.205 8.190 -0.000 0.000 0.427 181 H N 5.923 125.094 119.070 0.169 0.000 2.641 181 H HA 0.306 4.862 4.556 -0.001 0.000 0.295 181 H C -1.860 173.526 175.328 0.096 0.000 1.070 181 H CA -1.742 54.392 56.048 0.145 0.000 1.257 181 H CB 1.941 31.825 29.762 0.203 0.000 1.393 181 H HN 0.416 8.696 8.280 -0.000 0.000 0.464 182 P HA -0.156 4.264 4.420 -0.000 0.000 0.217 182 P C 1.339 178.701 177.300 0.102 0.000 1.151 182 P CA 1.001 64.166 63.100 0.109 0.000 0.828 182 P CB 0.364 32.110 31.700 0.076 0.000 0.788 183 S N 0.459 116.228 115.700 0.115 0.000 2.392 183 S HA -0.181 4.288 4.470 -0.001 0.000 0.232 183 S C 1.468 176.107 174.600 0.065 0.000 1.041 183 S CA 1.233 59.478 58.200 0.075 0.000 1.026 183 S CB -0.847 62.391 63.200 0.063 0.000 0.845 183 S HN 0.249 8.559 8.310 -0.000 0.000 0.465 184 R N 0.362 120.919 120.500 0.094 0.000 2.577 184 R HA 0.329 4.668 4.340 -0.001 0.000 0.344 184 R C -0.374 175.979 176.300 0.089 0.000 1.037 184 R CA -0.265 55.882 56.100 0.078 0.000 1.102 184 R CB 0.038 30.379 30.300 0.069 0.000 1.313 184 R HN 0.323 8.593 8.270 -0.000 0.000 0.561 185 R N 1.319 121.873 120.500 0.089 0.000 3.484 185 R HA -0.159 4.181 4.340 -0.001 0.000 0.260 185 R C -0.138 176.194 176.300 0.054 0.000 1.053 185 R CA 1.314 57.452 56.100 0.063 0.000 0.703 185 R CB -2.220 28.101 30.300 0.035 0.000 1.089 185 R HN 0.424 8.694 8.270 -0.000 0.000 0.459 186 T N -2.214 112.405 114.554 0.109 0.000 2.907 186 T HA 0.647 4.996 4.350 -0.001 0.000 0.284 186 T C 0.233 174.913 174.700 -0.033 0.000 1.004 186 T CA -0.225 61.909 62.100 0.057 0.000 1.063 186 T CB 2.227 71.263 68.868 0.279 0.000 0.992 186 T HN 0.261 8.501 8.240 -0.000 0.000 0.483 187 S N 0.967 116.434 115.700 -0.388 0.000 2.546 187 S HA 0.749 5.219 4.470 -0.001 0.000 0.274 187 S C -1.895 172.276 174.600 -0.714 0.000 1.121 187 S CA -1.006 57.000 58.200 -0.322 0.000 0.887 187 S CB 0.949 64.060 63.200 -0.148 0.000 1.094 187 S HN 0.801 9.111 8.310 -0.000 0.000 0.474 188 Y N 0.252 120.587 120.300 0.058 0.000 2.544 188 Y HA 0.759 5.308 4.550 -0.001 0.000 0.342 188 Y C -0.813 175.103 175.900 0.027 0.000 1.062 188 Y CA -1.279 56.859 58.100 0.063 0.000 1.023 188 Y CB 1.252 39.776 38.460 0.107 0.000 1.308 188 Y HN 0.841 9.121 8.280 -0.000 0.000 0.457 189 I N 0.102 120.774 120.570 0.170 0.000 3.095 189 I HA 0.931 5.101 4.170 -0.001 0.000 0.310 189 I C -1.095 175.074 176.117 0.086 0.000 1.196 189 I CA -1.546 59.810 61.300 0.094 0.000 0.985 189 I CB 1.980 40.009 38.000 0.047 0.000 1.250 189 I HN 0.281 8.491 8.210 -0.000 0.000 0.446 190 V N 0.328 120.275 119.914 0.055 0.000 2.851 190 V HA 0.876 4.996 4.120 -0.001 0.000 0.307 190 V C -0.557 175.559 176.094 0.036 0.000 1.129 190 V CA -0.567 61.761 62.300 0.048 0.000 0.932 190 V CB 1.326 33.172 31.823 0.038 0.000 1.024 190 V HN 0.969 9.159 8.190 -0.000 0.000 0.426 191 S N 1.903 117.623 115.700 0.034 0.000 2.599 191 S HA 0.982 5.451 4.470 -0.001 0.000 0.287 191 S C -1.010 173.612 174.600 0.038 0.000 1.105 191 S CA -0.731 57.486 58.200 0.028 0.000 0.899 191 S CB 2.738 65.945 63.200 0.012 0.000 1.100 191 S HN 0.919 9.229 8.310 -0.000 0.000 0.482 192 E N 0.375 120.602 120.200 0.045 0.000 2.649 192 E HA 0.246 4.595 4.350 -0.001 0.000 0.308 192 E C -1.431 175.216 176.600 0.077 0.000 1.017 192 E CA -0.271 56.163 56.400 0.057 0.000 0.848 192 E CB 1.244 30.983 29.700 0.066 0.000 1.240 192 E HN 0.622 8.982 8.360 -0.000 0.000 0.421 193 R N 1.398 121.937 120.500 0.066 0.000 2.643 193 R HA 0.529 4.869 4.340 -0.001 0.000 0.270 193 R C -0.611 175.763 176.300 0.124 0.000 1.061 193 R CA -0.153 55.997 56.100 0.084 0.000 1.107 193 R CB 0.721 31.053 30.300 0.053 0.000 0.999 193 R HN 0.270 8.540 8.270 -0.000 0.000 0.460 194 V N 2.726 122.752 119.914 0.187 0.000 2.653 194 V HA 0.002 4.122 4.120 -0.001 0.000 0.298 194 V C -0.812 175.391 176.094 0.181 0.000 1.097 194 V CA -0.864 61.540 62.300 0.173 0.000 0.908 194 V CB 1.817 33.740 31.823 0.168 0.000 1.024 194 V HN 0.680 8.870 8.190 -0.000 0.000 0.435 195 D N 4.083 124.554 120.400 0.119 0.000 2.551 195 D HA 0.204 4.844 4.640 -0.001 0.000 0.223 195 D C 1.204 177.544 176.300 0.066 0.000 1.144 195 D CA 0.137 54.193 54.000 0.094 0.000 1.025 195 D CB 0.431 41.265 40.800 0.056 0.000 1.085 195 D HN 0.552 8.922 8.370 -0.000 0.000 0.506 196 I N 1.370 121.980 120.570 0.068 0.000 2.300 196 I HA -0.358 3.811 4.170 -0.001 0.000 0.252 196 I C 1.946 178.062 176.117 -0.002 0.000 1.119 196 I CA 1.571 62.883 61.300 0.020 0.000 1.384 196 I CB 0.074 38.045 38.000 -0.049 0.000 1.062 196 I HN 0.422 8.632 8.210 -0.000 0.000 0.426 197 T N -2.542 111.923 114.554 -0.148 0.000 2.962 197 T HA -0.121 4.228 4.350 -0.001 0.000 0.270 197 T C 1.534 176.128 174.700 -0.177 0.000 1.088 197 T CA 1.140 62.971 62.100 -0.448 0.000 1.127 197 T CB -0.403 68.150 68.868 -0.525 0.000 0.883 197 T HN 0.441 8.681 8.240 -0.000 0.000 0.493 198 N N 0.343 119.017 118.700 -0.043 0.000 2.388 198 N HA 0.009 4.749 4.740 -0.001 0.000 0.176 198 N C 1.416 176.975 175.510 0.082 0.000 1.062 198 N CA 0.461 53.528 53.050 0.028 0.000 0.895 198 N CB 0.309 38.823 38.487 0.045 0.000 1.018 198 N HN 0.410 8.790 8.380 -0.000 0.000 0.456 199 E N 0.446 120.696 120.200 0.085 0.000 2.385 199 E HA 0.178 4.528 4.350 -0.001 0.000 0.194 199 E C 0.586 177.231 176.600 0.075 0.000 1.013 199 E CA 0.336 56.787 56.400 0.085 0.000 0.866 199 E CB 0.908 30.660 29.700 0.086 0.000 0.832 199 E HN 0.302 8.662 8.360 -0.000 0.000 0.500 200 L N 0.171 121.465 121.223 0.118 0.000 2.403 200 L HA 0.424 4.763 4.340 -0.001 0.000 0.253 200 L C -2.611 174.390 176.870 0.219 0.000 1.045 200 L CA -2.448 52.469 54.840 0.129 0.000 0.845 200 L CB 2.334 44.457 42.059 0.107 0.000 1.447 200 L HN -0.259 7.971 8.230 -0.000 0.000 0.411 201 P HA 0.157 4.577 4.420 -0.000 0.000 0.276 201 P C 0.047 177.218 177.300 -0.215 0.000 1.261 201 P CA -0.388 62.743 63.100 0.051 0.000 0.800 201 P CB 0.796 32.498 31.700 0.003 0.000 1.066 202 E N -0.534 119.437 120.200 -0.382 0.000 2.110 202 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 202 E C -0.257 175.919 176.600 -0.706 0.000 0.988 202 E CA 1.290 57.141 56.400 -0.916 0.000 0.804 202 E CB -0.030 29.407 29.700 -0.438 0.000 0.745 202 E HN 0.442 8.802 8.360 -0.000 0.000 0.458 203 Y N -0.569 119.559 120.300 -0.287 0.000 2.350 203 Y HA 0.310 4.859 4.550 -0.001 0.000 0.338 203 Y C -0.007 175.786 175.900 -0.178 0.000 0.961 203 Y CA -1.021 56.957 58.100 -0.203 0.000 1.100 203 Y CB 1.760 40.127 38.460 -0.155 0.000 1.179 203 Y HN -0.226 8.054 8.280 -0.000 0.000 0.454 204 V N -1.254 118.640 119.914 -0.034 0.000 3.156 204 V HA 0.788 4.908 4.120 -0.001 0.000 0.311 204 V C -0.597 175.428 176.094 -0.114 0.000 1.208 204 V CA -0.991 61.250 62.300 -0.097 0.000 1.063 204 V CB 2.016 33.758 31.823 -0.136 0.000 1.098 204 V HN 0.571 8.761 8.190 -0.000 0.000 0.452 205 S N 1.724 117.320 115.700 -0.173 0.000 2.473 205 S HA 0.761 5.230 4.470 -0.001 0.000 0.307 205 S C -0.341 174.217 174.600 -0.071 0.000 1.094 205 S CA -0.560 57.544 58.200 -0.160 0.000 1.070 205 S CB 1.063 64.039 63.200 -0.373 0.000 1.019 205 S HN 0.945 9.255 8.310 -0.000 0.000 0.480 206 I N 0.264 120.876 120.570 0.070 0.000 2.498 206 I HA 1.026 5.195 4.170 -0.001 0.000 0.301 206 I C 0.427 176.719 176.117 0.292 0.000 0.984 206 I CA -0.570 60.750 61.300 0.034 0.000 1.204 206 I CB 1.431 39.405 38.000 -0.043 0.000 1.362 206 I HN 0.746 8.956 8.210 -0.000 0.000 0.471 207 G N 3.708 112.328 108.800 -0.299 0.000 2.360 207 G HA2 0.417 4.377 3.960 -0.001 0.000 0.276 207 G HA3 0.417 4.377 3.960 -0.001 0.000 0.276 207 G C -1.790 172.311 174.900 -1.332 0.000 1.256 207 G CA -0.833 43.812 45.100 -0.758 0.000 0.890 207 G HN 0.583 8.873 8.290 -0.000 0.000 0.486 208 F N -0.100 119.388 119.950 -0.771 0.000 2.598 208 F HA 0.873 5.400 4.527 -0.001 0.000 0.327 208 F C 0.522 175.986 175.800 -0.559 0.000 1.057 208 F CA -0.872 56.783 58.000 -0.575 0.000 0.957 208 F CB 2.594 41.252 39.000 -0.570 0.000 1.278 208 F HN 0.541 8.841 8.300 -0.000 0.000 0.484 209 S N 0.675 116.289 115.700 -0.143 0.000 2.566 209 S HA 0.852 5.321 4.470 -0.001 0.000 0.273 209 S C -1.600 172.932 174.600 -0.114 0.000 1.157 209 S CA -0.320 57.789 58.200 -0.152 0.000 0.938 209 S CB 1.144 64.266 63.200 -0.130 0.000 1.087 209 S HN 1.091 9.401 8.310 -0.000 0.000 0.474 210 A N 2.739 125.452 122.820 -0.178 0.000 2.515 210 A HA 0.925 5.245 4.320 -0.001 0.000 0.298 210 A C -0.271 177.132 177.584 -0.301 0.000 1.059 210 A CA -0.538 51.303 52.037 -0.327 0.000 0.698 210 A CB 1.615 20.269 19.000 -0.578 0.000 1.289 210 A HN 1.121 9.271 8.150 -0.000 0.000 0.404 211 T N -1.246 113.131 114.554 -0.296 0.000 2.864 211 T HA 0.907 5.256 4.350 -0.001 0.000 0.289 211 T C -0.059 174.612 174.700 -0.048 0.000 1.082 211 T CA -0.082 61.947 62.100 -0.118 0.000 1.009 211 T CB 1.530 70.394 68.868 -0.006 0.000 1.234 211 T HN 1.467 9.707 8.240 -0.000 0.000 0.526 212 T N -1.976 112.608 114.554 0.051 0.000 2.887 212 T HA 0.786 5.136 4.350 -0.001 0.000 0.292 212 T C 0.667 175.431 174.700 0.107 0.000 1.087 212 T CA -0.610 61.564 62.100 0.124 0.000 1.009 212 T CB 1.179 70.129 68.868 0.136 0.000 1.203 212 T HN 1.036 9.276 8.240 -0.000 0.000 0.518 213 G N -0.634 108.245 108.800 0.133 0.000 2.653 213 G HA2 0.476 4.436 3.960 -0.001 0.000 0.265 213 G HA3 0.476 4.436 3.960 -0.001 0.000 0.265 213 G C 0.384 175.353 174.900 0.116 0.000 1.237 213 G CA -0.782 44.393 45.100 0.124 0.000 0.946 213 G HN 0.758 9.048 8.290 -0.000 0.000 0.522 214 L N -0.150 121.138 121.223 0.108 0.000 2.349 214 L HA 0.188 4.527 4.340 -0.001 0.000 0.200 214 L C 1.878 178.810 176.870 0.104 0.000 1.064 214 L CA 0.409 55.305 54.840 0.092 0.000 0.821 214 L CB -0.698 41.406 42.059 0.075 0.000 1.027 214 L HN 0.533 8.763 8.230 -0.000 0.000 0.476 219 T N -1.414 113.223 114.554 0.139 0.000 2.739 219 T HA 0.892 5.242 4.350 -0.001 0.000 0.303 219 T C -0.950 173.786 174.700 0.060 0.000 1.389 219 T CA -0.921 61.248 62.100 0.115 0.000 1.001 219 T CB 3.424 72.338 68.868 0.078 0.000 1.436 219 T HN 0.420 8.660 8.240 -0.000 0.000 0.500 220 E N -0.632 119.589 120.200 0.035 0.000 2.442 220 E HA 0.565 4.914 4.350 -0.001 0.000 0.278 220 E C -1.291 175.197 176.600 -0.187 0.000 1.082 220 E CA -1.234 55.112 56.400 -0.091 0.000 0.861 220 E CB 0.987 30.599 29.700 -0.145 0.000 1.462 220 E HN 0.857 9.217 8.360 -0.000 0.000 0.458 221 T N -1.332 113.057 114.554 -0.276 0.000 2.928 221 T HA 0.466 4.816 4.350 -0.001 0.000 0.284 221 T C -0.443 173.943 174.700 -0.523 0.000 1.008 221 T CA -0.692 61.260 62.100 -0.246 0.000 1.057 221 T CB 0.864 69.652 68.868 -0.133 0.000 1.018 221 T HN 0.480 8.720 8.240 -0.000 0.000 0.493 222 H N 1.826 120.862 119.070 -0.057 0.000 3.036 222 H HA 0.336 4.891 4.556 -0.001 0.000 0.295 222 H C -1.171 174.057 175.328 -0.167 0.000 1.124 222 H CA -0.647 55.347 56.048 -0.090 0.000 1.507 222 H CB 0.872 30.587 29.762 -0.080 0.000 1.591 222 H HN 0.713 8.993 8.280 -0.000 0.000 0.510 223 D N 3.183 123.511 120.400 -0.121 0.000 2.492 223 D HA 0.215 4.855 4.640 -0.001 0.000 0.248 223 D C 0.170 176.306 176.300 -0.273 0.000 1.101 223 D CA -0.589 53.288 54.000 -0.205 0.000 0.840 223 D CB 3.440 44.149 40.800 -0.151 0.000 1.209 223 D HN 0.122 8.492 8.370 -0.000 0.000 0.524 224 V N 2.625 122.252 119.914 -0.477 0.000 2.509 224 V HA 0.091 4.211 4.120 -0.001 0.000 0.284 224 V C 0.940 176.808 176.094 -0.376 0.000 1.047 224 V CA -0.498 61.472 62.300 -0.550 0.000 0.952 224 V CB 1.694 32.877 31.823 -1.067 0.000 0.988 224 V HN 0.436 8.626 8.190 -0.000 0.000 0.469 225 L N 3.221 124.421 121.223 -0.038 0.000 2.388 225 L HA 0.276 4.615 4.340 -0.001 0.000 0.209 225 L C 0.990 178.177 176.870 0.528 0.000 1.061 225 L CA 1.025 55.969 54.840 0.173 0.000 0.834 225 L CB -0.022 42.111 42.059 0.123 0.000 1.029 225 L HN 0.918 9.148 8.230 -0.000 0.000 0.473 226 S N -2.816 113.213 115.700 0.550 0.000 2.550 226 S HA 0.559 5.028 4.470 -0.001 0.000 0.270 226 S C -1.908 173.151 174.600 0.766 0.000 1.145 226 S CA -0.694 57.839 58.200 0.555 0.000 0.852 226 S CB 2.131 65.530 63.200 0.331 0.000 1.119 226 S HN 0.083 8.393 8.310 -0.000 0.000 0.465 227 W N 1.452 123.055 121.300 0.505 0.000 3.211 227 W HA 0.751 5.410 4.660 -0.001 0.000 0.335 227 W C -1.412 175.493 176.519 0.643 0.000 1.113 227 W CA -0.473 57.284 57.345 0.688 0.000 1.235 227 W CB 1.838 31.839 29.460 0.902 0.000 1.365 227 W HN 0.820 9.000 8.180 -0.000 0.000 0.476 228 S N 5.025 121.098 115.700 0.623 0.000 2.536 228 S HA 0.828 5.298 4.470 -0.001 0.000 0.287 228 S C -1.871 172.751 174.600 0.037 0.000 1.101 228 S CA -0.398 57.927 58.200 0.209 0.000 0.950 228 S CB 1.265 64.579 63.200 0.190 0.000 1.056 228 S HN 0.310 8.620 8.310 -0.000 0.000 0.481 229 F N 1.719 121.282 119.950 -0.646 0.000 2.619 229 F HA 0.775 5.301 4.527 -0.001 0.000 0.308 229 F C -1.376 174.157 175.800 -0.445 0.000 1.097 229 F CA -0.237 57.364 58.000 -0.666 0.000 0.953 229 F CB 1.481 39.679 39.000 -1.337 0.000 1.287 229 F HN 0.707 9.007 8.300 -0.000 0.000 0.446 230 A N 2.908 124.989 122.820 -1.232 0.000 2.513 230 A HA 0.662 4.982 4.320 -0.001 0.000 0.296 230 A C -1.539 175.628 177.584 -0.695 0.000 1.052 230 A CA -0.053 51.607 52.037 -0.629 0.000 0.714 230 A CB 1.376 20.275 19.000 -0.169 0.000 1.279 230 A HN 1.312 9.462 8.150 -0.000 0.000 0.397 231 S N 1.824 117.416 115.700 -0.180 0.000 2.548 231 S HA 0.802 5.271 4.470 -0.001 0.000 0.286 231 S C -1.036 173.616 174.600 0.087 0.000 1.098 231 S CA -0.573 57.669 58.200 0.070 0.000 0.930 231 S CB 1.890 65.271 63.200 0.301 0.000 1.070 231 S HN 0.857 9.167 8.310 -0.000 0.000 0.480 232 K N 3.189 123.653 120.400 0.107 0.000 2.640 232 K HA 0.409 4.728 4.320 -0.001 0.000 0.245 232 K C -1.985 174.671 176.600 0.094 0.000 0.962 232 K CA -0.681 55.651 56.287 0.076 0.000 0.896 232 K CB 1.189 33.712 32.500 0.038 0.000 1.147 232 K HN 0.646 8.896 8.250 -0.000 0.000 0.445 233 L N 6.667 127.941 121.223 0.085 0.000 2.282 233 L HA 0.550 4.889 4.340 -0.001 0.000 0.288 233 L C -2.411 174.495 176.870 0.059 0.000 1.033 233 L CA -1.856 53.033 54.840 0.080 0.000 0.807 233 L CB 0.991 43.089 42.059 0.065 0.000 1.209 233 L HN 0.509 8.739 8.230 -0.000 0.000 0.423 234 P HA 0.348 4.768 4.420 -0.000 0.000 0.293 234 P C -0.894 176.431 177.300 0.041 0.000 1.304 234 P CA -0.208 62.917 63.100 0.042 0.000 0.767 234 P CB 1.100 32.822 31.700 0.038 0.000 1.247 235 D N -2.237 118.183 120.400 0.034 0.000 2.431 235 D HA 0.035 4.674 4.640 -0.001 0.000 0.227 235 D C -0.012 176.307 176.300 0.031 0.000 1.030 235 D CA 0.481 54.501 54.000 0.032 0.000 0.897 235 D CB 0.000 40.816 40.800 0.027 0.000 1.058 235 D HN 0.408 8.778 8.370 -0.000 0.000 0.500 236 D N 0.566 120.983 120.400 0.027 0.000 2.326 236 D HA 0.108 4.747 4.640 -0.001 0.000 0.251 236 D C 0.771 177.088 176.300 0.028 0.000 1.023 236 D CA -0.323 53.692 54.000 0.024 0.000 0.966 236 D CB 1.676 42.486 40.800 0.017 0.000 1.156 236 D HN -0.052 8.318 8.370 -0.000 0.000 0.494 237 S N -0.149 115.566 115.700 0.026 0.000 2.440 237 S HA -0.135 4.335 4.470 -0.001 0.000 0.240 237 S C 1.096 175.709 174.600 0.022 0.000 1.014 237 S CA 0.600 58.816 58.200 0.027 0.000 0.980 237 S CB -0.723 62.489 63.200 0.019 0.000 0.775 237 S HN 0.543 8.853 8.310 -0.000 0.000 0.499 238 T N 4.225 118.788 114.554 0.016 0.000 2.708 238 T HA 0.181 4.531 4.350 -0.001 0.000 0.271 238 T C 0.487 175.192 174.700 0.009 0.000 0.985 238 T CA 0.431 62.536 62.100 0.008 0.000 1.229 238 T CB -0.272 68.599 68.868 0.006 0.000 0.934 238 T HN 0.576 8.816 8.240 -0.000 0.000 0.522 239 T N 0.462 115.016 114.554 0.000 0.000 2.845 239 T HA 0.651 5.000 4.350 -0.001 0.000 0.288 239 T C -0.024 174.664 174.700 -0.021 0.000 0.980 239 T CA -0.969 61.128 62.100 -0.005 0.000 1.071 239 T CB 1.310 70.168 68.868 -0.016 0.000 0.941 239 T HN 0.627 8.867 8.240 -0.000 0.000 0.487 240 E N 2.309 122.497 120.200 -0.020 0.000 2.267 240 E HA 0.571 4.921 4.350 -0.001 0.000 0.248 240 E C -3.041 173.531 176.600 -0.046 0.000 0.899 240 E CA -2.376 54.006 56.400 -0.030 0.000 0.764 240 E CB 0.399 30.090 29.700 -0.016 0.000 1.227 240 E HN 0.658 9.018 8.360 -0.000 0.000 0.421 241 P HA 0.073 4.493 4.420 -0.000 0.000 0.269 241 P C 0.364 177.615 177.300 -0.082 0.000 1.211 241 P CA -0.384 62.654 63.100 -0.104 0.000 0.781 241 P CB 0.670 32.298 31.700 -0.119 0.000 0.877 242 L N 0.875 122.036 121.223 -0.103 0.000 2.540 242 L HA 0.182 4.521 4.340 -0.001 0.000 0.215 242 L C 0.357 177.192 176.870 -0.059 0.000 1.204 242 L CA 0.033 54.826 54.840 -0.079 0.000 0.841 242 L CB 0.260 42.251 42.059 -0.112 0.000 1.420 242 L HN 0.296 8.526 8.230 -0.000 0.000 0.519 243 D N -0.410 119.975 120.400 -0.026 0.000 2.472 243 D HA 0.285 4.924 4.640 -0.001 0.000 0.234 243 D C 0.868 177.195 176.300 0.046 0.000 1.088 243 D CA -0.071 53.929 54.000 0.000 0.000 0.882 243 D CB 0.868 41.674 40.800 0.010 0.000 1.037 243 D HN 0.269 8.639 8.370 -0.000 0.000 0.520 244 I N 1.759 122.340 120.570 0.019 0.000 2.277 244 I HA -0.123 4.046 4.170 -0.001 0.000 0.243 244 I C 2.401 178.571 176.117 0.088 0.000 1.094 244 I CA 0.448 61.793 61.300 0.074 0.000 1.393 244 I CB -0.068 37.929 38.000 -0.005 0.000 1.078 244 I HN 0.427 8.637 8.210 -0.000 0.000 0.417 245 A N 0.013 122.852 122.820 0.032 0.000 1.929 245 A HA -0.333 3.987 4.320 -0.001 0.000 0.221 245 A C 2.466 180.063 177.584 0.022 0.000 1.211 245 A CA 2.861 54.909 52.037 0.019 0.000 0.657 245 A CB -0.910 18.091 19.000 0.002 0.000 0.827 245 A HN 0.424 8.574 8.150 -0.000 0.000 0.462 246 S N -2.822 112.895 115.700 0.029 0.000 2.371 246 S HA -0.046 4.424 4.470 -0.001 0.000 0.219 246 S C 1.805 176.407 174.600 0.003 0.000 1.040 246 S CA 0.864 59.070 58.200 0.010 0.000 0.958 246 S CB -0.538 62.666 63.200 0.007 0.000 0.860 246 S HN 0.700 9.010 8.310 -0.000 0.000 0.487 247 Y N 2.344 122.612 120.300 -0.053 0.000 2.219 247 Y HA -0.218 4.332 4.550 -0.001 0.000 0.283 247 Y C 1.512 177.380 175.900 -0.052 0.000 1.191 247 Y CA 1.619 59.681 58.100 -0.065 0.000 1.199 247 Y CB -0.358 38.050 38.460 -0.085 0.000 0.972 247 Y HN 0.251 8.531 8.280 -0.000 0.000 0.527 248 L N -1.422 119.754 121.223 -0.079 0.000 1.995 248 L HA -0.155 4.185 4.340 -0.001 0.000 0.206 248 L C 2.429 179.208 176.870 -0.150 0.000 1.098 248 L CA 1.082 55.851 54.840 -0.119 0.000 0.762 248 L CB -1.077 41.014 42.059 0.053 0.000 0.900 248 L HN 0.045 8.275 8.230 -0.000 0.000 0.441 249 V N 0.419 120.287 119.914 -0.075 0.000 2.252 249 V HA -0.412 3.707 4.120 -0.001 0.000 0.255 249 V C 3.162 179.199 176.094 -0.096 0.000 1.071 249 V CA 3.012 65.273 62.300 -0.065 0.000 1.050 249 V CB -1.844 29.954 31.823 -0.042 0.000 0.654 249 V HN 0.646 8.836 8.190 -0.000 0.000 0.448 250 R N 0.009 120.437 120.500 -0.120 0.000 2.091 250 R HA -0.201 4.138 4.340 -0.001 0.000 0.238 250 R C 1.934 178.118 176.300 -0.192 0.000 1.136 250 R CA 2.359 58.378 56.100 -0.135 0.000 0.959 250 R CB -1.214 29.009 30.300 -0.128 0.000 0.856 250 R HN 0.701 8.971 8.270 -0.000 0.000 0.437 251 N N -1.324 117.183 118.700 -0.322 0.000 2.571 251 N HA 0.064 4.804 4.740 -0.001 0.000 0.195 251 N C 1.697 177.056 175.510 -0.253 0.000 1.040 251 N CA 1.332 54.151 53.050 -0.385 0.000 0.890 251 N CB 0.723 38.712 38.487 -0.830 0.000 1.233 251 N HN 0.213 8.593 8.380 -0.000 0.000 0.435 252 V N 0.707 120.480 119.914 -0.235 0.000 2.795 252 V HA 0.228 4.347 4.120 -0.001 0.000 0.243 252 V C 1.113 177.184 176.094 -0.038 0.000 1.069 252 V CA 0.578 62.829 62.300 -0.082 0.000 1.089 252 V CB -0.142 31.669 31.823 -0.021 0.000 0.756 252 V HN 0.037 8.227 8.190 -0.000 0.000 0.471 253 L N 0.000 121.194 121.223 -0.049 0.000 2.949 253 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 253 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 253 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 253 L HN 0.000 8.230 8.230 -0.000 0.000 0.502