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 3o0g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQKYEKLEKI GEGTYGTVFK AKNRETHEIV ALKRVRLDDD DEGVPSSALR DATA SEQUENCE EICLLKELKH KNIVRLHDVL HSDKKLTLVF EFCDQDLKKY FDSCNGDLDP DATA SEQUENCE EIVKSFLFQL LKGLGFCHSR NVLHRDLKPQ NLLINRNGEL KLANFGLARA DATA SEQUENCE FGIPVRCYSA EVVTLWYRPP DVLFGAKLYS TSIDMWSAGC IFAELANAGR DATA SEQUENCE PLFPGNDVDD QLKRIFRLLG TPTEEQWPSM TKLPDYKPYP MYPATTSLVN DATA SEQUENCE VVPKLNATGR DLLQNLLKCN PVQRISAEEA LQHPYFSDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.339 55.300 0.066 0.000 0.988 1 M CB 0.000 32.715 32.600 0.191 0.000 1.302 2 Q N 0.483 120.297 119.800 0.023 0.000 2.137 2 Q HA -0.024 4.317 4.340 0.002 0.000 0.198 2 Q C 1.302 177.269 176.000 -0.055 0.000 0.960 2 Q CA 1.270 57.064 55.803 -0.015 0.000 0.847 2 Q CB 0.296 29.019 28.738 -0.025 0.000 0.915 2 Q HN 0.471 8.741 8.270 0.000 0.000 0.448 3 K N -0.068 120.275 120.400 -0.094 0.000 2.217 3 K HA -0.055 4.266 4.320 0.002 0.000 0.202 3 K C -0.429 175.898 176.600 -0.455 0.000 1.051 3 K CA 0.616 56.719 56.287 -0.307 0.000 0.952 3 K CB 0.339 32.573 32.500 -0.443 0.000 0.736 3 K HN 0.081 8.331 8.250 0.000 0.000 0.453 4 Y N 0.726 121.008 120.300 -0.031 0.000 2.377 4 Y HA 0.253 4.804 4.550 0.002 0.000 0.339 4 Y C -0.434 175.447 175.900 -0.030 0.000 1.011 4 Y CA -0.974 57.111 58.100 -0.025 0.000 1.093 4 Y CB 1.697 40.147 38.460 -0.017 0.000 1.201 4 Y HN -0.077 8.203 8.280 0.000 0.000 0.455 5 E N 4.199 124.473 120.200 0.123 0.000 2.134 5 E HA 0.226 4.578 4.350 0.002 0.000 0.278 5 E C -0.941 175.700 176.600 0.068 0.000 0.959 5 E CA -0.906 55.533 56.400 0.064 0.000 0.783 5 E CB 0.698 30.422 29.700 0.040 0.000 1.095 5 E HN 0.461 8.821 8.360 0.000 0.000 0.399 6 K N 4.231 124.649 120.400 0.032 0.000 2.350 6 K HA 0.084 4.405 4.320 0.002 0.000 0.279 6 K C 0.363 177.002 176.600 0.065 0.000 1.027 6 K CA -0.143 56.167 56.287 0.037 0.000 0.969 6 K CB 1.212 33.689 32.500 -0.038 0.000 0.954 6 K HN 0.493 8.743 8.250 0.000 0.000 0.474 7 L N 1.361 122.636 121.223 0.087 0.000 2.435 7 L HA 0.093 4.434 4.340 0.002 0.000 0.195 7 L C 0.238 177.157 176.870 0.082 0.000 1.072 7 L CA 1.361 56.236 54.840 0.058 0.000 0.833 7 L CB 0.139 42.202 42.059 0.007 0.000 1.081 7 L HN 0.725 8.955 8.230 0.000 0.000 0.485 8 E N -1.232 119.042 120.200 0.123 0.000 2.412 8 E HA 0.243 4.594 4.350 0.002 0.000 0.279 8 E C -1.215 175.473 176.600 0.147 0.000 0.984 8 E CA -0.876 55.594 56.400 0.117 0.000 0.788 8 E CB 1.840 31.576 29.700 0.061 0.000 1.277 8 E HN -0.137 8.223 8.360 0.000 0.000 0.455 9 K N 2.920 123.340 120.400 0.033 0.000 2.267 9 K HA 0.207 4.529 4.320 0.002 0.000 0.282 9 K C 0.295 176.793 176.600 -0.171 0.000 1.078 9 K CA -0.227 55.898 56.287 -0.269 0.000 0.903 9 K CB 0.460 32.752 32.500 -0.346 0.000 1.111 9 K HN 0.715 8.965 8.250 0.000 0.000 0.475 10 I N 1.140 121.617 120.570 -0.155 0.000 4.147 10 I HA 0.350 4.521 4.170 0.002 0.000 0.329 10 I C -0.157 175.908 176.117 -0.086 0.000 1.424 10 I CA -0.171 61.097 61.300 -0.053 0.000 1.127 10 I CB 0.601 38.645 38.000 0.073 0.000 1.128 10 I HN 0.510 8.720 8.210 0.000 0.000 0.417 11 G N 1.855 110.556 108.800 -0.165 0.000 2.723 11 G HA2 0.340 4.301 3.960 0.002 0.000 0.295 11 G HA3 0.340 4.301 3.960 0.002 0.000 0.295 11 G C -0.753 174.048 174.900 -0.164 0.000 1.464 11 G CA -0.328 44.680 45.100 -0.154 0.000 1.012 11 G HN 0.175 8.465 8.290 0.000 0.000 0.522 12 E N 2.072 122.194 120.200 -0.131 0.000 1.795 12 E HA 0.155 4.506 4.350 0.002 0.000 0.261 12 E C 1.217 177.729 176.600 -0.147 0.000 1.238 12 E CA -0.121 56.208 56.400 -0.119 0.000 1.001 12 E CB 0.788 30.432 29.700 -0.093 0.000 1.065 12 E HN 0.563 8.923 8.360 0.000 0.000 0.418 13 G N 1.788 110.488 108.800 -0.166 0.000 2.474 13 G HA2 -0.069 3.892 3.960 0.002 0.000 0.233 13 G HA3 -0.069 3.892 3.960 0.002 0.000 0.233 13 G C 1.265 176.037 174.900 -0.213 0.000 1.278 13 G CA -0.053 44.911 45.100 -0.227 0.000 0.861 13 G HN 0.402 8.692 8.290 0.000 0.000 0.567 14 T N -1.016 113.367 114.554 -0.284 0.000 2.904 14 T HA -0.148 4.203 4.350 0.002 0.000 0.267 14 T C 1.590 176.263 174.700 -0.045 0.000 1.059 14 T CA 1.951 63.960 62.100 -0.152 0.000 1.137 14 T CB -0.247 68.557 68.868 -0.106 0.000 0.879 14 T HN 0.866 9.106 8.240 0.000 0.000 0.467 15 Y N -0.275 120.026 120.300 0.001 0.000 2.437 15 Y HA 0.737 5.288 4.550 0.002 0.000 0.266 15 Y C 1.014 176.930 175.900 0.025 0.000 1.077 15 Y CA -1.093 57.014 58.100 0.012 0.000 1.235 15 Y CB 0.003 38.475 38.460 0.020 0.000 1.303 15 Y HN 0.287 8.567 8.280 0.000 0.000 0.536 16 G N 0.369 109.098 108.800 -0.118 0.000 3.252 16 G HA2 0.541 4.503 3.960 0.002 0.000 0.181 16 G HA3 0.541 4.503 3.960 0.002 0.000 0.181 16 G C -1.189 173.690 174.900 -0.035 0.000 1.187 16 G CA -0.748 44.364 45.100 0.021 0.000 0.886 16 G HN -0.024 8.266 8.290 0.000 0.000 0.615 17 T N 0.354 114.923 114.554 0.025 0.000 2.841 17 T HA 0.532 4.883 4.350 0.002 0.000 0.285 17 T C -0.579 174.104 174.700 -0.028 0.000 0.991 17 T CA -0.188 61.890 62.100 -0.036 0.000 0.966 17 T CB 1.720 70.597 68.868 0.014 0.000 0.962 17 T HN 0.328 8.568 8.240 0.000 0.000 0.438 18 V N 4.400 124.197 119.914 -0.195 0.000 2.481 18 V HA 0.598 4.719 4.120 0.002 0.000 0.286 18 V C -0.775 175.142 176.094 -0.295 0.000 1.042 18 V CA -0.564 61.674 62.300 -0.103 0.000 0.928 18 V CB 0.583 32.348 31.823 -0.098 0.000 0.986 18 V HN 0.740 8.930 8.190 0.000 0.000 0.462 19 F N 2.403 122.379 119.950 0.043 0.000 2.563 19 F HA 0.534 5.062 4.527 0.002 0.000 0.316 19 F C 0.167 176.013 175.800 0.077 0.000 1.076 19 F CA -1.018 57.012 58.000 0.050 0.000 0.921 19 F CB 1.843 40.862 39.000 0.032 0.000 1.209 19 F HN 0.290 8.590 8.300 0.000 0.000 0.462 20 K N 1.775 122.316 120.400 0.234 0.000 2.249 20 K HA 0.774 5.095 4.320 0.002 0.000 0.280 20 K C -0.901 175.749 176.600 0.083 0.000 1.033 20 K CA -0.147 56.201 56.287 0.101 0.000 0.946 20 K CB 0.747 33.218 32.500 -0.048 0.000 1.005 20 K HN 0.837 9.087 8.250 0.000 0.000 0.469 21 A N 3.594 126.436 122.820 0.037 0.000 2.594 21 A HA 0.486 4.807 4.320 0.002 0.000 0.291 21 A C -1.643 175.991 177.584 0.083 0.000 1.105 21 A CA -0.848 51.235 52.037 0.077 0.000 0.694 21 A CB 1.506 20.570 19.000 0.108 0.000 1.291 21 A HN 0.685 8.835 8.150 0.000 0.000 0.410 22 K N 1.310 121.785 120.400 0.124 0.000 2.376 22 K HA 0.256 4.577 4.320 0.002 0.000 0.257 22 K C -0.983 175.702 176.600 0.142 0.000 0.939 22 K CA -0.640 55.714 56.287 0.112 0.000 0.809 22 K CB 1.013 33.551 32.500 0.062 0.000 1.121 22 K HN 0.750 9.000 8.250 0.000 0.000 0.425 23 N N 4.063 122.823 118.700 0.100 0.000 2.416 23 N HA 0.027 4.769 4.740 0.002 0.000 0.265 23 N C 0.491 175.881 175.510 -0.200 0.000 1.195 23 N CA 0.389 53.340 53.050 -0.165 0.000 0.943 23 N CB 0.670 39.081 38.487 -0.126 0.000 1.115 23 N HN 0.644 9.024 8.380 0.000 0.000 0.481 24 R N 2.602 122.958 120.500 -0.240 0.000 2.152 24 R HA -0.084 4.257 4.340 0.002 0.000 0.232 24 R C 1.143 177.256 176.300 -0.313 0.000 1.117 24 R CA 1.164 57.153 56.100 -0.185 0.000 0.981 24 R CB 0.284 30.503 30.300 -0.135 0.000 0.870 24 R HN 0.687 8.957 8.270 0.000 0.000 0.451 25 E N -0.616 119.384 120.200 -0.334 0.000 2.051 25 E HA -0.097 4.254 4.350 0.002 0.000 0.189 25 E C 1.760 178.102 176.600 -0.430 0.000 0.979 25 E CA 1.661 57.866 56.400 -0.325 0.000 0.803 25 E CB 0.168 29.724 29.700 -0.239 0.000 0.761 25 E HN 0.343 8.703 8.360 0.000 0.000 0.451 26 T N -3.359 110.971 114.554 -0.374 0.000 3.040 26 T HA 0.039 4.391 4.350 0.002 0.000 0.250 26 T C 0.184 174.747 174.700 -0.228 0.000 1.058 26 T CA 0.357 62.290 62.100 -0.277 0.000 0.988 26 T CB -0.136 68.650 68.868 -0.137 0.000 0.993 26 T HN 0.292 8.532 8.240 0.000 0.000 0.519 27 H N 0.017 119.062 119.070 -0.041 0.000 3.366 27 H HA -0.134 4.423 4.556 0.002 0.000 0.233 27 H C 0.233 175.556 175.328 -0.008 0.000 1.102 27 H CA 1.001 57.034 56.048 -0.025 0.000 1.184 27 H CB -1.784 27.965 29.762 -0.022 0.000 1.216 27 H HN 0.593 8.873 8.280 0.000 0.000 0.317 28 E N 1.293 121.529 120.200 0.060 0.000 2.373 28 E HA 0.140 4.491 4.350 0.002 0.000 0.267 28 E C 0.176 176.826 176.600 0.083 0.000 1.032 28 E CA -0.533 55.907 56.400 0.068 0.000 0.889 28 E CB 0.545 30.274 29.700 0.047 0.000 0.984 28 E HN 0.144 8.504 8.360 0.000 0.000 0.425 29 I N 5.431 126.040 120.570 0.064 0.000 2.416 29 I HA 0.079 4.250 4.170 0.002 0.000 0.288 29 I C 0.502 176.686 176.117 0.112 0.000 1.051 29 I CA -0.016 61.291 61.300 0.012 0.000 1.375 29 I CB 0.232 38.155 38.000 -0.128 0.000 1.407 29 I HN 0.291 8.501 8.210 0.000 0.000 0.516 30 V N 3.288 123.283 119.914 0.135 0.000 3.155 30 V HA 0.989 5.110 4.120 0.002 0.000 0.313 30 V C -0.265 175.982 176.094 0.255 0.000 1.162 30 V CA -1.073 61.376 62.300 0.248 0.000 1.048 30 V CB 1.739 33.711 31.823 0.247 0.000 1.092 30 V HN 0.761 8.951 8.190 0.000 0.000 0.447 31 A N 1.948 124.962 122.820 0.323 0.000 2.304 31 A HA 0.858 5.179 4.320 0.002 0.000 0.323 31 A C -0.677 177.045 177.584 0.230 0.000 1.195 31 A CA -0.676 51.549 52.037 0.313 0.000 0.826 31 A CB 0.613 19.801 19.000 0.312 0.000 1.184 31 A HN 0.933 9.083 8.150 0.000 0.000 0.496 32 L N 2.472 123.809 121.223 0.190 0.000 2.287 32 L HA 0.464 4.805 4.340 0.002 0.000 0.287 32 L C 0.319 177.339 176.870 0.251 0.000 1.022 32 L CA -0.455 54.468 54.840 0.139 0.000 0.814 32 L CB 1.619 43.689 42.059 0.017 0.000 1.217 32 L HN 0.705 8.935 8.230 0.000 0.000 0.420 33 K N 5.069 125.624 120.400 0.257 0.000 2.281 33 K HA 0.405 4.726 4.320 0.002 0.000 0.272 33 K C -0.705 176.013 176.600 0.197 0.000 1.048 33 K CA -0.625 55.794 56.287 0.220 0.000 0.898 33 K CB 0.691 33.326 32.500 0.224 0.000 1.128 33 K HN 0.585 8.835 8.250 0.000 0.000 0.460 34 R N 2.390 123.023 120.500 0.223 0.000 2.368 34 R HA 0.422 4.763 4.340 0.002 0.000 0.302 34 R C -0.726 175.685 176.300 0.185 0.000 1.002 34 R CA -0.907 55.302 56.100 0.180 0.000 0.929 34 R CB 1.730 32.124 30.300 0.157 0.000 1.073 34 R HN 0.190 8.460 8.270 0.000 0.000 0.464 35 V N 4.146 124.161 119.914 0.168 0.000 2.483 35 V HA 0.272 4.393 4.120 0.002 0.000 0.297 35 V C 0.000 176.171 176.094 0.128 0.000 1.027 35 V CA -1.024 61.382 62.300 0.176 0.000 0.855 35 V CB 1.740 33.692 31.823 0.214 0.000 0.995 35 V HN 0.615 8.805 8.190 0.000 0.000 0.424 36 R N 4.260 124.828 120.500 0.114 0.000 2.537 36 R HA 0.310 4.651 4.340 0.002 0.000 0.280 36 R C 0.526 176.872 176.300 0.077 0.000 1.058 36 R CA -0.028 56.124 56.100 0.088 0.000 1.057 36 R CB 0.748 31.095 30.300 0.077 0.000 0.973 36 R HN 0.665 8.935 8.270 0.000 0.000 0.438 37 L N 1.247 122.514 121.223 0.074 0.000 2.609 37 L HA 0.039 4.380 4.340 0.002 0.000 0.230 37 L C 0.509 177.409 176.870 0.051 0.000 1.087 37 L CA 0.231 55.108 54.840 0.062 0.000 0.874 37 L CB 0.073 42.183 42.059 0.084 0.000 1.114 37 L HN 0.524 8.754 8.230 0.000 0.000 0.488 38 D N -0.418 120.013 120.400 0.051 0.000 3.057 38 D HA 0.102 4.743 4.640 0.002 0.000 0.246 38 D C -0.152 176.169 176.300 0.036 0.000 1.238 38 D CA -0.404 53.620 54.000 0.040 0.000 0.949 38 D CB -0.450 40.372 40.800 0.038 0.000 1.086 38 D HN 0.102 8.472 8.370 0.000 0.000 0.487 39 D N -0.089 120.332 120.400 0.035 0.000 2.354 39 D HA 0.107 4.749 4.640 0.002 0.000 0.238 39 D C 0.511 176.829 176.300 0.029 0.000 1.250 39 D CA 0.183 54.203 54.000 0.035 0.000 0.911 39 D CB 0.801 41.620 40.800 0.031 0.000 1.163 39 D HN 0.260 8.630 8.370 0.000 0.000 0.456 40 D N -1.568 118.850 120.400 0.030 0.000 2.486 40 D HA 0.023 4.664 4.640 0.002 0.000 0.243 40 D C -0.914 175.400 176.300 0.024 0.000 1.146 40 D CA -0.238 53.777 54.000 0.025 0.000 0.821 40 D CB 0.444 41.259 40.800 0.025 0.000 1.201 40 D HN 0.192 8.562 8.370 0.000 0.000 0.525 41 D N 1.615 122.032 120.400 0.029 0.000 2.518 41 D HA 0.088 4.729 4.640 0.002 0.000 0.230 41 D C 0.877 177.191 176.300 0.023 0.000 1.138 41 D CA -0.120 53.896 54.000 0.028 0.000 0.964 41 D CB 0.948 41.770 40.800 0.037 0.000 1.011 41 D HN 0.300 8.670 8.370 0.000 0.000 0.517 42 E N 0.994 121.204 120.200 0.016 0.000 2.169 42 E HA -0.193 4.158 4.350 0.002 0.000 0.202 42 E C 1.727 178.328 176.600 0.002 0.000 1.016 42 E CA 1.319 57.725 56.400 0.010 0.000 0.817 42 E CB 0.043 29.747 29.700 0.008 0.000 0.736 42 E HN 0.470 8.830 8.360 0.000 0.000 0.462 43 G N 0.531 109.330 108.800 -0.002 0.000 3.042 43 G HA2 0.062 4.024 3.960 0.002 0.000 0.212 43 G HA3 0.062 4.024 3.960 0.002 0.000 0.212 43 G C 1.581 176.459 174.900 -0.037 0.000 1.166 43 G CA -0.141 44.949 45.100 -0.017 0.000 0.767 43 G HN 0.054 8.344 8.290 0.000 0.000 0.546 44 V N 1.860 121.761 119.914 -0.022 0.000 2.255 44 V HA -0.118 4.003 4.120 0.002 0.000 0.247 44 V C 0.417 176.434 176.094 -0.127 0.000 1.051 44 V CA 2.151 64.425 62.300 -0.043 0.000 1.018 44 V CB -0.913 30.940 31.823 0.049 0.000 0.641 44 V HN 0.238 8.428 8.190 0.000 0.000 0.445 45 P HA -0.181 4.239 4.420 0.000 0.000 0.217 45 P C 2.079 179.299 177.300 -0.133 0.000 1.148 45 P CA 2.062 65.110 63.100 -0.087 0.000 0.828 45 P CB -0.124 31.550 31.700 -0.044 0.000 0.783 46 S N -0.852 114.779 115.700 -0.116 0.000 2.365 46 S HA -0.179 4.292 4.470 0.002 0.000 0.225 46 S C 2.039 176.545 174.600 -0.157 0.000 1.039 46 S CA 2.168 60.303 58.200 -0.108 0.000 1.033 46 S CB -1.061 62.096 63.200 -0.072 0.000 0.887 46 S HN 0.103 8.413 8.310 0.000 0.000 0.447 47 S N 1.749 117.302 115.700 -0.245 0.000 2.368 47 S HA 0.051 4.522 4.470 0.002 0.000 0.225 47 S C 2.269 176.584 174.600 -0.475 0.000 1.030 47 S CA 1.027 59.026 58.200 -0.335 0.000 0.999 47 S CB -0.830 62.134 63.200 -0.394 0.000 0.844 47 S HN 0.739 9.049 8.310 0.000 0.000 0.459 48 A N 1.753 124.171 122.820 -0.670 0.000 1.902 48 A HA 0.012 4.333 4.320 0.002 0.000 0.217 48 A C 2.143 179.660 177.584 -0.111 0.000 1.181 48 A CA 1.123 52.904 52.037 -0.427 0.000 0.623 48 A CB -0.753 18.118 19.000 -0.216 0.000 0.818 48 A HN 0.447 8.597 8.150 0.000 0.000 0.443 49 L N -1.240 119.913 121.223 -0.116 0.000 2.056 49 L HA -0.162 4.179 4.340 0.002 0.000 0.207 49 L C 2.800 179.646 176.870 -0.040 0.000 1.078 49 L CA 1.705 56.508 54.840 -0.063 0.000 0.749 49 L CB -0.483 41.536 42.059 -0.066 0.000 0.901 49 L HN 0.484 8.714 8.230 0.000 0.000 0.433 50 R N 0.565 121.035 120.500 -0.050 0.000 2.073 50 R HA -0.236 4.105 4.340 0.002 0.000 0.234 50 R C 2.242 178.557 176.300 0.025 0.000 1.134 50 R CA 1.912 58.003 56.100 -0.015 0.000 0.952 50 R CB -0.155 30.133 30.300 -0.020 0.000 0.850 50 R HN 0.352 8.622 8.270 0.000 0.000 0.433 51 E N 0.292 120.522 120.200 0.050 0.000 2.077 51 E HA -0.207 4.144 4.350 0.002 0.000 0.193 51 E C 1.964 178.616 176.600 0.087 0.000 0.989 51 E CA 1.581 58.065 56.400 0.141 0.000 0.800 51 E CB -0.103 29.774 29.700 0.295 0.000 0.746 51 E HN 0.441 8.801 8.360 0.000 0.000 0.452 52 I N 0.474 121.076 120.570 0.053 0.000 2.127 52 I HA -0.372 3.800 4.170 0.002 0.000 0.241 52 I C 2.649 178.757 176.117 -0.016 0.000 1.075 52 I CA 0.910 62.212 61.300 0.003 0.000 1.334 52 I CB -0.368 37.624 38.000 -0.014 0.000 1.040 52 I HN 0.344 8.554 8.210 0.000 0.000 0.405 53 C N 0.634 119.928 119.300 -0.010 0.000 2.398 53 C HA -0.193 4.268 4.460 0.002 0.000 0.276 53 C C 2.759 177.741 174.990 -0.013 0.000 1.222 53 C CA 0.985 59.996 59.018 -0.012 0.000 1.746 53 C CB -1.060 26.676 27.740 -0.007 0.000 2.039 53 C HN 0.438 8.668 8.230 0.000 0.000 0.470 54 L N -0.647 120.573 121.223 -0.005 0.000 2.044 54 L HA -0.090 4.251 4.340 0.002 0.000 0.205 54 L C 2.443 179.263 176.870 -0.083 0.000 1.075 54 L CA 0.814 55.644 54.840 -0.017 0.000 0.747 54 L CB -0.651 41.429 42.059 0.035 0.000 0.903 54 L HN 0.224 8.454 8.230 0.000 0.000 0.435 55 L N 0.122 121.273 121.223 -0.120 0.000 2.201 55 L HA -0.159 4.182 4.340 0.002 0.000 0.212 55 L C 2.398 179.214 176.870 -0.089 0.000 1.105 55 L CA 1.573 56.311 54.840 -0.169 0.000 0.775 55 L CB -0.936 41.048 42.059 -0.124 0.000 0.913 55 L HN 0.182 8.412 8.230 0.000 0.000 0.440 56 K N -0.408 119.957 120.400 -0.059 0.000 2.211 56 K HA -0.155 4.166 4.320 0.002 0.000 0.204 56 K C 1.226 177.822 176.600 -0.008 0.000 1.047 56 K CA 1.044 57.311 56.287 -0.034 0.000 0.935 56 K CB 0.095 32.578 32.500 -0.028 0.000 0.728 56 K HN 0.273 8.523 8.250 0.000 0.000 0.452 57 E N -0.079 120.119 120.200 -0.004 0.000 2.476 57 E HA 0.103 4.454 4.350 0.002 0.000 0.196 57 E C -0.189 176.466 176.600 0.093 0.000 1.029 57 E CA 0.216 56.634 56.400 0.029 0.000 0.896 57 E CB 0.584 30.288 29.700 0.005 0.000 1.012 57 E HN 0.221 8.581 8.360 0.000 0.000 0.475 58 L N 1.581 122.853 121.223 0.081 0.000 2.457 58 L HA 0.318 4.659 4.340 0.002 0.000 0.252 58 L C -0.372 176.567 176.870 0.113 0.000 1.132 58 L CA -0.222 54.742 54.840 0.206 0.000 0.938 58 L CB 0.725 42.808 42.059 0.040 0.000 1.246 58 L HN -0.339 7.891 8.230 0.000 0.000 0.476 59 K N 2.383 122.853 120.400 0.117 0.000 2.334 59 K HA 0.481 4.802 4.320 0.002 0.000 0.265 59 K C -0.862 175.573 176.600 -0.275 0.000 1.039 59 K CA -0.535 55.724 56.287 -0.048 0.000 0.920 59 K CB 1.282 33.777 32.500 -0.008 0.000 1.160 59 K HN 0.314 8.564 8.250 0.000 0.000 0.451 60 H N 2.399 121.212 119.070 -0.428 0.000 3.046 60 H HA 0.062 4.619 4.556 0.002 0.000 0.363 60 H C 0.248 175.402 175.328 -0.290 0.000 1.203 60 H CA -0.539 55.162 56.048 -0.579 0.000 1.169 60 H CB 1.610 30.747 29.762 -1.042 0.000 1.851 60 H HN 0.545 8.825 8.280 0.000 0.000 0.546 61 K N 1.793 121.821 120.400 -0.620 0.000 2.218 61 K HA -0.101 4.220 4.320 0.002 0.000 0.205 61 K C 0.159 176.701 176.600 -0.096 0.000 1.046 61 K CA 1.472 57.578 56.287 -0.303 0.000 0.933 61 K CB 0.199 32.506 32.500 -0.322 0.000 0.728 61 K HN 0.298 8.548 8.250 0.000 0.000 0.454 62 N N 0.479 119.248 118.700 0.116 0.000 2.238 62 N HA 0.177 4.918 4.740 0.002 0.000 0.222 62 N C -0.786 174.775 175.510 0.085 0.000 1.133 62 N CA 0.033 53.147 53.050 0.108 0.000 0.854 62 N CB 0.515 39.069 38.487 0.111 0.000 1.041 62 N HN 0.118 8.498 8.380 0.000 0.000 0.510 63 I N 0.159 120.781 120.570 0.087 0.000 2.465 63 I HA 0.158 4.329 4.170 0.002 0.000 0.291 63 I C 0.217 176.357 176.117 0.038 0.000 1.014 63 I CA -0.961 60.396 61.300 0.094 0.000 1.093 63 I CB 2.264 40.318 38.000 0.090 0.000 1.267 63 I HN -0.289 7.921 8.210 0.000 0.000 0.431 64 V N 5.971 125.922 119.914 0.062 0.000 2.644 64 V HA 0.068 4.189 4.120 0.002 0.000 0.305 64 V C 0.335 176.464 176.094 0.058 0.000 1.053 64 V CA 0.159 62.477 62.300 0.030 0.000 1.186 64 V CB 0.439 32.254 31.823 -0.015 0.000 0.895 64 V HN 0.746 8.936 8.190 0.000 0.000 0.490 65 R N 5.534 126.046 120.500 0.019 0.000 2.202 65 R HA 0.419 4.760 4.340 0.002 0.000 0.334 65 R C -0.876 175.334 176.300 -0.150 0.000 1.036 65 R CA -0.499 55.554 56.100 -0.078 0.000 0.878 65 R CB 0.828 31.043 30.300 -0.142 0.000 1.067 65 R HN 0.720 8.990 8.270 0.000 0.000 0.457 66 L N 5.152 126.275 121.223 -0.167 0.000 2.315 66 L HA 0.240 4.581 4.340 0.002 0.000 0.283 66 L C 0.154 176.859 176.870 -0.276 0.000 1.089 66 L CA 0.655 55.231 54.840 -0.440 0.000 0.833 66 L CB 0.463 42.287 42.059 -0.392 0.000 1.170 66 L HN 0.859 9.089 8.230 0.000 0.000 0.442 67 H N 1.836 120.799 119.070 -0.179 0.000 2.431 67 H HA 0.233 4.790 4.556 0.002 0.000 0.295 67 H C -0.197 175.081 175.328 -0.085 0.000 1.038 67 H CA 0.424 56.422 56.048 -0.083 0.000 1.360 67 H CB 0.653 30.401 29.762 -0.023 0.000 1.433 67 H HN 0.623 8.903 8.280 0.000 0.000 0.536 68 D N -0.927 119.462 120.400 -0.018 0.000 2.653 68 D HA 0.235 4.876 4.640 0.002 0.000 0.258 68 D C -1.597 174.649 176.300 -0.091 0.000 1.252 68 D CA -0.501 53.487 54.000 -0.020 0.000 0.777 68 D CB 2.182 43.015 40.800 0.056 0.000 1.339 68 D HN -0.171 8.199 8.370 0.000 0.000 0.422 69 V N 1.774 121.661 119.914 -0.045 0.000 2.623 69 V HA 0.549 4.670 4.120 0.002 0.000 0.304 69 V C -0.380 175.722 176.094 0.015 0.000 1.054 69 V CA -0.631 61.645 62.300 -0.041 0.000 0.882 69 V CB 1.628 33.427 31.823 -0.041 0.000 1.002 69 V HN 0.418 8.608 8.190 0.000 0.000 0.424 70 L N 4.029 125.271 121.223 0.031 0.000 2.342 70 L HA 0.639 4.980 4.340 0.002 0.000 0.271 70 L C -0.365 176.584 176.870 0.130 0.000 1.008 70 L CA -0.571 54.313 54.840 0.073 0.000 0.818 70 L CB 1.851 43.950 42.059 0.067 0.000 1.296 70 L HN 0.716 8.946 8.230 0.000 0.000 0.427 71 H N 2.403 121.480 119.070 0.011 0.000 2.970 71 H HA 0.573 5.130 4.556 0.002 0.000 0.315 71 H C -1.524 173.811 175.328 0.011 0.000 0.992 71 H CA -0.321 55.733 56.048 0.010 0.000 1.363 71 H CB 1.444 31.211 29.762 0.008 0.000 1.532 71 H HN 0.742 9.022 8.280 0.000 0.000 0.514 72 S N 3.291 118.898 115.700 -0.154 0.000 2.565 72 S HA 0.345 4.816 4.470 0.002 0.000 0.269 72 S C -0.498 174.031 174.600 -0.119 0.000 1.153 72 S CA -0.253 57.835 58.200 -0.187 0.000 0.835 72 S CB 2.787 65.940 63.200 -0.078 0.000 1.122 72 S HN 0.874 9.184 8.310 0.000 0.000 0.462 73 D N 1.166 121.500 120.400 -0.110 0.000 3.639 73 D HA -0.232 4.409 4.640 0.002 0.000 0.162 73 D C -0.462 175.811 176.300 -0.044 0.000 1.054 73 D CA 1.830 55.796 54.000 -0.058 0.000 1.085 73 D CB -0.911 39.873 40.800 -0.025 0.000 0.547 73 D HN 0.787 9.158 8.370 0.000 0.000 0.595 74 K N 0.280 120.686 120.400 0.011 0.000 3.167 74 K HA 0.384 4.705 4.320 0.002 0.000 0.208 74 K C -0.747 175.905 176.600 0.087 0.000 1.159 74 K CA -0.224 56.098 56.287 0.058 0.000 1.018 74 K CB 0.818 33.346 32.500 0.046 0.000 0.927 74 K HN 0.106 8.356 8.250 0.000 0.000 0.476 75 K N 1.127 121.589 120.400 0.103 0.000 2.468 75 K HA 0.345 4.666 4.320 0.002 0.000 0.252 75 K C -1.559 175.146 176.600 0.174 0.000 0.932 75 K CA -1.165 55.189 56.287 0.112 0.000 0.794 75 K CB 2.387 34.922 32.500 0.059 0.000 1.241 75 K HN -0.064 8.186 8.250 0.000 0.000 0.428 76 L N 2.112 123.422 121.223 0.145 0.000 2.265 76 L HA 0.361 4.702 4.340 0.002 0.000 0.289 76 L C -0.887 176.045 176.870 0.102 0.000 1.033 76 L CA 0.288 55.204 54.840 0.126 0.000 0.814 76 L CB 1.442 43.550 42.059 0.081 0.000 1.203 76 L HN 0.522 8.752 8.230 0.000 0.000 0.423 77 T N 6.300 120.897 114.554 0.072 0.000 2.770 77 T HA 0.506 4.857 4.350 0.002 0.000 0.283 77 T C -0.250 174.447 174.700 -0.005 0.000 0.988 77 T CA -0.461 61.662 62.100 0.038 0.000 0.957 77 T CB 0.753 69.615 68.868 -0.010 0.000 0.930 77 T HN 0.365 8.605 8.240 0.000 0.000 0.443 78 L N 3.299 124.527 121.223 0.008 0.000 2.276 78 L HA 0.524 4.865 4.340 0.002 0.000 0.286 78 L C -0.171 176.577 176.870 -0.203 0.000 1.061 78 L CA -1.076 53.679 54.840 -0.140 0.000 0.807 78 L CB 0.916 42.899 42.059 -0.127 0.000 1.177 78 L HN 0.327 8.557 8.230 0.000 0.000 0.429 79 V N 4.208 123.937 119.914 -0.308 0.000 2.364 79 V HA 0.371 4.492 4.120 0.002 0.000 0.272 79 V C -0.128 175.778 176.094 -0.314 0.000 1.036 79 V CA -0.100 62.061 62.300 -0.231 0.000 0.880 79 V CB 0.738 32.452 31.823 -0.181 0.000 0.991 79 V HN 0.417 8.607 8.190 0.000 0.000 0.460 80 F N 2.270 122.189 119.950 -0.051 0.000 2.556 80 F HA 0.459 4.987 4.527 0.002 0.000 0.327 80 F C 0.799 176.535 175.800 -0.105 0.000 1.059 80 F CA -1.013 56.898 58.000 -0.149 0.000 0.953 80 F CB 1.411 40.359 39.000 -0.087 0.000 1.227 80 F HN 0.625 8.925 8.300 0.000 0.000 0.478 81 E N 1.196 121.358 120.200 -0.062 0.000 2.437 81 E HA -0.014 4.337 4.350 0.002 0.000 0.263 81 E C -1.234 175.491 176.600 0.209 0.000 1.030 81 E CA -0.237 56.248 56.400 0.141 0.000 0.934 81 E CB 0.709 30.450 29.700 0.068 0.000 0.943 81 E HN 0.509 8.869 8.360 0.000 0.000 0.444 82 F N 2.549 122.564 119.950 0.109 0.000 2.404 82 F HA 0.387 4.915 4.527 0.002 0.000 0.345 82 F C -0.943 174.877 175.800 0.033 0.000 1.110 82 F CA -0.664 57.377 58.000 0.067 0.000 1.130 82 F CB 0.853 39.901 39.000 0.080 0.000 1.129 82 F HN 0.486 8.786 8.300 0.000 0.000 0.500 83 C N 5.837 124.595 119.300 -0.903 0.000 2.507 83 C HA 0.265 4.726 4.460 0.002 0.000 0.319 83 C C 0.994 175.331 174.990 -1.087 0.000 1.208 83 C CA -0.589 57.988 59.018 -0.735 0.000 1.619 83 C CB 1.409 28.909 27.740 -0.400 0.000 2.230 83 C HN 0.894 9.124 8.230 0.000 0.000 0.492 84 D N 0.419 120.469 120.400 -0.582 0.000 2.178 84 D HA -0.046 4.595 4.640 0.002 0.000 0.202 84 D C 0.866 177.050 176.300 -0.193 0.000 0.974 84 D CA 1.304 55.126 54.000 -0.297 0.000 0.841 84 D CB 0.198 40.992 40.800 -0.011 0.000 0.953 84 D HN 0.821 9.191 8.370 0.000 0.000 0.478 85 Q N -0.176 119.505 119.800 -0.198 0.000 2.687 85 Q HA 0.297 4.639 4.340 0.002 0.000 0.295 85 Q C -2.006 173.894 176.000 -0.166 0.000 0.920 85 Q CA -1.040 54.687 55.803 -0.127 0.000 0.766 85 Q CB 1.319 30.046 28.738 -0.018 0.000 1.467 85 Q HN -0.017 8.253 8.270 0.000 0.000 0.415 86 D N 0.073 120.388 120.400 -0.141 0.000 2.442 86 D HA 0.270 4.911 4.640 0.002 0.000 0.254 86 D C 0.609 176.795 176.300 -0.189 0.000 1.069 86 D CA -0.873 53.014 54.000 -0.187 0.000 1.017 86 D CB 0.998 41.697 40.800 -0.169 0.000 1.172 86 D HN 0.471 8.841 8.370 0.000 0.000 0.561 87 L N 0.020 121.066 121.223 -0.296 0.000 2.131 87 L HA -0.036 4.305 4.340 0.002 0.000 0.210 87 L C 1.938 178.553 176.870 -0.426 0.000 1.092 87 L CA 1.862 56.433 54.840 -0.448 0.000 0.759 87 L CB -0.933 40.799 42.059 -0.545 0.000 0.903 87 L HN 0.556 8.786 8.230 0.000 0.000 0.435 88 K N 0.238 120.532 120.400 -0.177 0.000 2.026 88 K HA -0.232 4.089 4.320 0.002 0.000 0.208 88 K C 2.277 178.928 176.600 0.084 0.000 1.048 88 K CA 1.927 58.236 56.287 0.037 0.000 0.929 88 K CB -0.329 32.209 32.500 0.064 0.000 0.713 88 K HN 0.313 8.563 8.250 0.000 0.000 0.439 89 K N -1.113 119.304 120.400 0.029 0.000 2.097 89 K HA -0.179 4.142 4.320 0.002 0.000 0.205 89 K C 2.167 178.816 176.600 0.081 0.000 1.050 89 K CA 1.356 57.674 56.287 0.052 0.000 0.938 89 K CB -0.317 32.194 32.500 0.019 0.000 0.718 89 K HN 0.246 8.496 8.250 0.000 0.000 0.442 90 Y N 0.502 120.758 120.300 -0.074 0.000 2.165 90 Y HA -0.237 4.314 4.550 0.002 0.000 0.286 90 Y C 1.641 177.587 175.900 0.078 0.000 1.155 90 Y CA 1.808 59.885 58.100 -0.039 0.000 1.164 90 Y CB -0.336 38.052 38.460 -0.121 0.000 0.978 90 Y HN 0.036 8.316 8.280 0.000 0.000 0.513 91 F N 0.218 120.293 119.950 0.208 0.000 2.095 91 F HA -0.319 4.209 4.527 0.002 0.000 0.298 91 F C 2.257 178.062 175.800 0.008 0.000 1.104 91 F CA 1.035 59.102 58.000 0.110 0.000 1.232 91 F CB -0.273 38.801 39.000 0.123 0.000 0.987 91 F HN 0.101 8.401 8.300 0.000 0.000 0.475 92 D N -0.142 120.385 120.400 0.211 0.000 2.144 92 D HA -0.136 4.505 4.640 0.002 0.000 0.199 92 D C 2.284 178.600 176.300 0.025 0.000 0.984 92 D CA 1.240 55.298 54.000 0.096 0.000 0.834 92 D CB -0.335 40.512 40.800 0.078 0.000 0.955 92 D HN 0.102 8.472 8.370 0.000 0.000 0.465 93 S N -0.255 115.430 115.700 -0.025 0.000 2.402 93 S HA -0.124 4.347 4.470 0.002 0.000 0.229 93 S C 1.977 176.502 174.600 -0.126 0.000 1.021 93 S CA 1.110 59.255 58.200 -0.092 0.000 0.974 93 S CB -0.015 63.092 63.200 -0.154 0.000 0.800 93 S HN 0.550 8.860 8.310 0.000 0.000 0.484 94 C N 0.680 119.890 119.300 -0.149 0.000 2.760 94 C HA 0.578 5.039 4.460 0.002 0.000 0.293 94 C C 0.501 175.474 174.990 -0.028 0.000 1.383 94 C CA -0.879 58.067 59.018 -0.120 0.000 1.771 94 C CB -1.665 25.948 27.740 -0.212 0.000 2.353 94 C HN 0.489 8.719 8.230 0.000 0.000 0.578 95 N N 0.900 119.595 118.700 -0.008 0.000 2.725 95 N HA -0.119 4.622 4.740 0.002 0.000 0.249 95 N C 1.040 176.549 175.510 -0.000 0.000 1.103 95 N CA 1.693 54.742 53.050 -0.002 0.000 0.707 95 N CB -1.458 37.021 38.487 -0.014 0.000 1.043 95 N HN 1.790 10.170 8.380 0.000 0.000 0.553 96 G N -0.592 108.232 108.800 0.040 0.000 2.187 96 G HA2 -0.316 3.645 3.960 0.002 0.000 0.261 96 G HA3 -0.316 3.645 3.960 0.002 0.000 0.261 96 G C -0.279 174.625 174.900 0.007 0.000 1.000 96 G CA 0.527 45.621 45.100 -0.010 0.000 0.718 96 G HN 0.767 9.057 8.290 0.000 0.000 0.519 97 D N 0.034 120.466 120.400 0.055 0.000 2.458 97 D HA 0.514 5.155 4.640 0.002 0.000 0.258 97 D C 0.162 176.510 176.300 0.080 0.000 1.134 97 D CA -0.629 53.393 54.000 0.037 0.000 0.915 97 D CB 0.192 40.995 40.800 0.004 0.000 1.028 97 D HN 0.047 8.417 8.370 0.000 0.000 0.508 98 L N 2.313 123.614 121.223 0.131 0.000 2.350 98 L HA 0.294 4.635 4.340 0.002 0.000 0.275 98 L C 0.878 177.790 176.870 0.069 0.000 1.099 98 L CA -0.357 54.570 54.840 0.146 0.000 0.808 98 L CB 1.052 43.244 42.059 0.220 0.000 1.149 98 L HN 0.323 8.553 8.230 0.000 0.000 0.442 99 D N 4.073 124.499 120.400 0.043 0.000 2.455 99 D HA -0.000 4.641 4.640 0.002 0.000 0.241 99 D C -1.711 174.601 176.300 0.019 0.000 1.138 99 D CA -1.049 52.964 54.000 0.021 0.000 0.877 99 D CB 1.716 42.522 40.800 0.011 0.000 1.187 99 D HN 0.311 8.681 8.370 0.000 0.000 0.451 100 P HA -0.142 4.278 4.420 0.000 0.000 0.218 100 P C 0.873 178.187 177.300 0.024 0.000 1.146 100 P CA 0.970 64.095 63.100 0.041 0.000 0.813 100 P CB 0.280 32.001 31.700 0.034 0.000 0.778 101 E N -0.973 119.233 120.200 0.011 0.000 2.152 101 E HA -0.088 4.263 4.350 0.002 0.000 0.192 101 E C 1.884 178.492 176.600 0.013 0.000 0.983 101 E CA 0.951 57.369 56.400 0.031 0.000 0.818 101 E CB -0.494 29.240 29.700 0.057 0.000 0.758 101 E HN 0.327 8.687 8.360 0.000 0.000 0.467 102 I N 0.345 120.870 120.570 -0.076 0.000 2.406 102 I HA -0.179 3.992 4.170 0.002 0.000 0.249 102 I C 2.375 178.291 176.117 -0.335 0.000 1.122 102 I CA 0.467 61.584 61.300 -0.304 0.000 1.431 102 I CB -0.347 37.427 38.000 -0.377 0.000 1.087 102 I HN -0.134 8.076 8.210 0.000 0.000 0.424 103 V N 0.909 120.782 119.914 -0.069 0.000 2.252 103 V HA -0.383 3.738 4.120 0.002 0.000 0.249 103 V C 2.574 178.799 176.094 0.219 0.000 1.056 103 V CA 2.250 64.633 62.300 0.139 0.000 1.022 103 V CB -0.774 31.185 31.823 0.226 0.000 0.641 103 V HN 0.432 8.622 8.190 0.000 0.000 0.445 104 K N -0.244 120.227 120.400 0.117 0.000 2.026 104 K HA -0.203 4.118 4.320 0.002 0.000 0.208 104 K C 2.533 179.127 176.600 -0.011 0.000 1.048 104 K CA 1.743 58.001 56.287 -0.048 0.000 0.929 104 K CB -0.350 31.805 32.500 -0.576 0.000 0.713 104 K HN 0.404 8.654 8.250 0.000 0.000 0.439 105 S N -0.231 115.546 115.700 0.127 0.000 2.356 105 S HA -0.134 4.337 4.470 0.002 0.000 0.223 105 S C 1.835 176.727 174.600 0.487 0.000 1.032 105 S CA 1.115 59.603 58.200 0.479 0.000 1.005 105 S CB -0.365 63.067 63.200 0.386 0.000 0.867 105 S HN 0.316 8.626 8.310 0.000 0.000 0.449 106 F N 1.279 121.326 119.950 0.161 0.000 2.134 106 F HA 0.036 4.564 4.527 0.002 0.000 0.299 106 F C 2.195 178.046 175.800 0.086 0.000 1.097 106 F CA 0.489 58.535 58.000 0.075 0.000 1.264 106 F CB -1.471 37.534 39.000 0.010 0.000 1.001 106 F HN 0.271 8.571 8.300 0.000 0.000 0.479 107 L N -0.709 120.712 121.223 0.330 0.000 2.046 107 L HA -0.205 4.136 4.340 0.002 0.000 0.208 107 L C 2.317 179.296 176.870 0.181 0.000 1.077 107 L CA 1.442 56.394 54.840 0.185 0.000 0.747 107 L CB -1.163 40.906 42.059 0.016 0.000 0.896 107 L HN 0.051 8.281 8.230 0.000 0.000 0.432 108 F N 0.256 120.232 119.950 0.043 0.000 2.095 108 F HA -0.285 4.243 4.527 0.002 0.000 0.298 108 F C 2.501 178.218 175.800 -0.139 0.000 1.104 108 F CA 2.120 59.916 58.000 -0.340 0.000 1.232 108 F CB -0.367 38.497 39.000 -0.227 0.000 0.987 108 F HN 0.226 8.526 8.300 0.000 0.000 0.475 109 Q N -0.410 119.455 119.800 0.108 0.000 2.079 109 Q HA -0.196 4.145 4.340 0.002 0.000 0.200 109 Q C 2.187 178.126 176.000 -0.101 0.000 0.974 109 Q CA 1.561 57.360 55.803 -0.006 0.000 0.840 109 Q CB -0.534 28.269 28.738 0.107 0.000 0.898 109 Q HN 0.458 8.728 8.270 0.000 0.000 0.430 110 L N 0.840 122.016 121.223 -0.079 0.000 2.012 110 L HA -0.193 4.148 4.340 0.002 0.000 0.210 110 L C 1.939 178.708 176.870 -0.169 0.000 1.073 110 L CA 1.714 56.479 54.840 -0.125 0.000 0.748 110 L CB -0.484 41.516 42.059 -0.099 0.000 0.891 110 L HN 0.187 8.417 8.230 0.000 0.000 0.431 111 L N -0.906 120.202 121.223 -0.192 0.000 2.093 111 L HA -0.199 4.142 4.340 0.002 0.000 0.208 111 L C 2.601 179.302 176.870 -0.282 0.000 1.085 111 L CA 1.257 55.964 54.840 -0.221 0.000 0.755 111 L CB -0.562 41.372 42.059 -0.209 0.000 0.904 111 L HN 0.260 8.490 8.230 0.000 0.000 0.435 112 K N 0.008 120.184 120.400 -0.373 0.000 2.026 112 K HA -0.122 4.199 4.320 0.002 0.000 0.208 112 K C 2.149 178.551 176.600 -0.330 0.000 1.048 112 K CA 1.379 57.465 56.287 -0.335 0.000 0.929 112 K CB -0.461 31.854 32.500 -0.308 0.000 0.713 112 K HN 0.390 8.640 8.250 0.000 0.000 0.439 113 G N 1.424 110.074 108.800 -0.250 0.000 2.404 113 G HA2 -0.233 3.728 3.960 0.002 0.000 0.215 113 G HA3 -0.233 3.728 3.960 0.002 0.000 0.215 113 G C 1.429 176.227 174.900 -0.170 0.000 1.174 113 G CA 0.379 45.341 45.100 -0.231 0.000 0.780 113 G HN 0.102 8.392 8.290 0.000 0.000 0.537 114 L N 1.603 122.698 121.223 -0.213 0.000 2.017 114 L HA 0.148 4.489 4.340 0.002 0.000 0.208 114 L C 2.903 179.512 176.870 -0.434 0.000 1.073 114 L CA 2.188 56.830 54.840 -0.331 0.000 0.745 114 L CB -1.056 40.803 42.059 -0.334 0.000 0.894 114 L HN 0.195 8.425 8.230 0.000 0.000 0.432 115 G N -1.318 107.321 108.800 -0.268 0.000 2.469 115 G HA2 -0.381 3.581 3.960 0.002 0.000 0.219 115 G HA3 -0.381 3.581 3.960 0.002 0.000 0.219 115 G C 1.618 176.467 174.900 -0.084 0.000 1.150 115 G CA 1.004 46.018 45.100 -0.143 0.000 0.763 115 G HN 0.439 8.729 8.290 0.000 0.000 0.561 116 F N 1.122 120.905 119.950 -0.279 0.000 2.102 116 F HA -0.127 4.401 4.527 0.002 0.000 0.298 116 F C 2.856 178.601 175.800 -0.091 0.000 1.105 116 F CA 1.460 59.317 58.000 -0.238 0.000 1.239 116 F CB -0.573 38.119 39.000 -0.514 0.000 0.991 116 F HN 0.211 8.511 8.300 0.000 0.000 0.474 117 C N 0.259 119.574 119.300 0.025 0.000 2.393 117 C HA -0.260 4.202 4.460 0.002 0.000 0.276 117 C C 2.750 177.821 174.990 0.134 0.000 1.215 117 C CA 1.495 60.567 59.018 0.091 0.000 1.743 117 C CB -1.620 26.239 27.740 0.200 0.000 2.044 117 C HN 0.534 8.764 8.230 0.000 0.000 0.464 118 H N 1.174 120.293 119.070 0.081 0.000 2.352 118 H HA -0.095 4.462 4.556 0.002 0.000 0.299 118 H C 2.549 177.922 175.328 0.075 0.000 1.097 118 H CA 2.031 58.172 56.048 0.156 0.000 1.311 118 H CB -0.977 28.856 29.762 0.119 0.000 1.377 118 H HN 0.638 8.918 8.280 0.000 0.000 0.504 119 S N 0.469 116.205 115.700 0.059 0.000 2.474 119 S HA -0.085 4.386 4.470 0.002 0.000 0.235 119 S C 1.772 176.266 174.600 -0.177 0.000 0.997 119 S CA 0.767 58.927 58.200 -0.067 0.000 0.949 119 S CB 0.115 63.236 63.200 -0.132 0.000 0.766 119 S HN 0.101 8.411 8.310 0.000 0.000 0.517 120 R N 1.235 121.591 120.500 -0.240 0.000 2.359 120 R HA 0.371 4.713 4.340 0.002 0.000 0.231 120 R C -0.247 175.934 176.300 -0.199 0.000 0.913 120 R CA -0.100 55.844 56.100 -0.261 0.000 1.075 120 R CB -1.190 28.900 30.300 -0.351 0.000 1.087 120 R HN 0.518 8.788 8.270 0.000 0.000 0.515 121 N N -1.156 117.417 118.700 -0.212 0.000 2.756 121 N HA -0.150 4.591 4.740 0.002 0.000 0.248 121 N C -1.637 173.701 175.510 -0.285 0.000 1.062 121 N CA 0.755 53.432 53.050 -0.622 0.000 0.696 121 N CB -0.807 37.210 38.487 -0.783 0.000 0.946 121 N HN -0.073 8.307 8.380 0.000 0.000 0.548 122 V N 0.738 120.782 119.914 0.217 0.000 2.588 122 V HA 0.483 4.604 4.120 0.002 0.000 0.304 122 V C 0.266 176.668 176.094 0.512 0.000 1.042 122 V CA -0.787 61.717 62.300 0.340 0.000 0.877 122 V CB 2.023 33.997 31.823 0.252 0.000 0.996 122 V HN 0.124 8.314 8.190 0.000 0.000 0.425 123 L N 3.860 125.327 121.223 0.406 0.000 2.307 123 L HA 0.488 4.829 4.340 0.002 0.000 0.282 123 L C 1.367 178.357 176.870 0.198 0.000 1.051 123 L CA -0.597 54.398 54.840 0.259 0.000 0.804 123 L CB 1.055 43.154 42.059 0.067 0.000 1.197 123 L HN 0.762 8.992 8.230 0.000 0.000 0.431 124 H N 4.387 123.506 119.070 0.081 0.000 2.317 124 H HA 0.032 4.589 4.556 0.002 0.000 0.304 124 H C 0.670 175.928 175.328 -0.117 0.000 1.067 124 H CA 1.268 57.240 56.048 -0.127 0.000 1.352 124 H CB 0.545 30.145 29.762 -0.270 0.000 1.398 124 H HN 0.618 8.898 8.280 0.000 0.000 0.510 125 R N -0.131 120.413 120.500 0.074 0.000 3.989 125 R HA -0.179 4.162 4.340 0.002 0.000 0.377 125 R C -0.636 175.671 176.300 0.012 0.000 1.158 125 R CA 1.054 57.158 56.100 0.007 0.000 1.035 125 R CB -1.713 28.565 30.300 -0.037 0.000 1.557 125 R HN 0.336 8.606 8.270 0.000 0.000 0.551 126 D N 0.302 120.791 120.400 0.150 0.000 3.007 126 D HA 0.185 4.826 4.640 0.002 0.000 0.363 126 D C -0.667 175.689 176.300 0.094 0.000 1.474 126 D CA -0.279 53.771 54.000 0.084 0.000 0.767 126 D CB 0.412 41.196 40.800 -0.026 0.000 1.227 126 D HN 0.172 8.542 8.370 0.000 0.000 0.471 127 L N 2.181 123.413 121.223 0.014 0.000 2.369 127 L HA 0.294 4.635 4.340 0.002 0.000 0.279 127 L C -0.288 176.375 176.870 -0.344 0.000 1.108 127 L CA 0.405 55.107 54.840 -0.231 0.000 0.852 127 L CB -0.153 41.794 42.059 -0.187 0.000 1.169 127 L HN 0.117 8.347 8.230 0.000 0.000 0.452 128 K N 3.111 123.242 120.400 -0.447 0.000 2.579 128 K HA 0.467 4.788 4.320 0.002 0.000 0.284 128 K C -2.811 173.557 176.600 -0.388 0.000 0.990 128 K CA -1.551 54.293 56.287 -0.738 0.000 0.880 128 K CB 1.167 33.133 32.500 -0.890 0.000 1.488 128 K HN -0.042 8.208 8.250 0.000 0.000 0.425 129 P HA -0.257 4.163 4.420 0.000 0.000 0.216 129 P C 0.891 178.089 177.300 -0.170 0.000 1.150 129 P CA 1.425 64.437 63.100 -0.146 0.000 0.843 129 P CB 0.110 31.837 31.700 0.045 0.000 0.787 130 Q N -1.412 118.307 119.800 -0.135 0.000 2.364 130 Q HA -0.065 4.276 4.340 0.002 0.000 0.207 130 Q C 0.681 176.586 176.000 -0.158 0.000 0.970 130 Q CA 1.193 56.922 55.803 -0.124 0.000 0.888 130 Q CB -0.942 27.746 28.738 -0.083 0.000 0.951 130 Q HN 0.305 8.575 8.270 0.000 0.000 0.469 131 N N 0.140 118.730 118.700 -0.183 0.000 2.268 131 N HA 0.153 4.894 4.740 0.002 0.000 0.204 131 N C -0.851 174.528 175.510 -0.218 0.000 1.124 131 N CA 0.055 52.999 53.050 -0.177 0.000 0.838 131 N CB 0.476 38.881 38.487 -0.137 0.000 0.994 131 N HN 0.094 8.474 8.380 0.000 0.000 0.489 132 L N 1.448 122.524 121.223 -0.246 0.000 2.298 132 L HA 0.455 4.796 4.340 0.002 0.000 0.284 132 L C -0.233 176.458 176.870 -0.298 0.000 1.013 132 L CA -0.460 54.212 54.840 -0.280 0.000 0.824 132 L CB 1.203 43.072 42.059 -0.316 0.000 1.221 132 L HN -0.095 8.135 8.230 0.000 0.000 0.418 133 L N 4.862 125.919 121.223 -0.277 0.000 2.325 133 L HA 0.584 4.925 4.340 0.002 0.000 0.279 133 L C -0.413 176.259 176.870 -0.329 0.000 1.054 133 L CA -0.504 54.166 54.840 -0.282 0.000 0.804 133 L CB 1.496 43.407 42.059 -0.247 0.000 1.200 133 L HN 0.424 8.654 8.230 0.000 0.000 0.436 134 I N 2.172 122.546 120.570 -0.328 0.000 2.498 134 I HA 0.291 4.463 4.170 0.002 0.000 0.290 134 I C -0.126 175.875 176.117 -0.194 0.000 1.032 134 I CA -0.285 60.813 61.300 -0.337 0.000 1.073 134 I CB 1.916 39.616 38.000 -0.500 0.000 1.251 134 I HN 0.596 8.806 8.210 0.000 0.000 0.426 135 N N 3.706 122.328 118.700 -0.131 0.000 2.445 135 N HA 0.264 5.005 4.740 0.002 0.000 0.264 135 N C 0.824 176.346 175.510 0.020 0.000 1.227 135 N CA -0.663 52.356 53.050 -0.052 0.000 0.963 135 N CB 1.072 39.545 38.487 -0.023 0.000 1.188 135 N HN 0.518 8.898 8.380 0.000 0.000 0.491 136 R N 0.729 121.259 120.500 0.050 0.000 2.280 136 R HA 0.007 4.348 4.340 0.002 0.000 0.207 136 R C 0.265 176.613 176.300 0.080 0.000 1.043 136 R CA 0.748 56.899 56.100 0.084 0.000 1.006 136 R CB -0.030 30.323 30.300 0.090 0.000 0.885 136 R HN 0.566 8.836 8.270 0.000 0.000 0.467 137 N N -0.210 118.528 118.700 0.063 0.000 2.461 137 N HA -0.012 4.729 4.740 0.002 0.000 0.188 137 N C 0.909 176.463 175.510 0.074 0.000 1.134 137 N CA 1.044 54.129 53.050 0.058 0.000 0.878 137 N CB 0.806 39.318 38.487 0.042 0.000 0.972 137 N HN 0.373 8.753 8.380 0.000 0.000 0.456 138 G N 1.093 109.951 108.800 0.098 0.000 2.143 138 G HA2 -0.265 3.696 3.960 0.002 0.000 0.249 138 G HA3 -0.265 3.696 3.960 0.002 0.000 0.249 138 G C -0.346 174.649 174.900 0.158 0.000 0.981 138 G CA -0.183 45.019 45.100 0.169 0.000 0.665 138 G HN 0.415 8.705 8.290 0.000 0.000 0.528 139 E N -0.363 119.868 120.200 0.051 0.000 2.259 139 E HA 0.581 4.933 4.350 0.002 0.000 0.281 139 E C 0.074 176.614 176.600 -0.100 0.000 1.027 139 E CA -0.560 55.844 56.400 0.007 0.000 0.838 139 E CB 1.937 31.633 29.700 -0.007 0.000 1.066 139 E HN 0.346 8.706 8.360 0.000 0.000 0.401 140 L N 3.021 124.167 121.223 -0.128 0.000 2.317 140 L HA 0.453 4.794 4.340 0.002 0.000 0.281 140 L C -1.158 175.612 176.870 -0.166 0.000 1.024 140 L CA -0.601 54.079 54.840 -0.266 0.000 0.810 140 L CB 0.729 42.555 42.059 -0.388 0.000 1.240 140 L HN 0.365 8.595 8.230 0.000 0.000 0.427 141 K N 4.499 124.790 120.400 -0.182 0.000 2.397 141 K HA 0.445 4.766 4.320 0.002 0.000 0.253 141 K C -1.242 175.291 176.600 -0.112 0.000 0.932 141 K CA -0.539 55.683 56.287 -0.108 0.000 0.795 141 K CB 2.014 34.464 32.500 -0.084 0.000 1.159 141 K HN 0.381 8.631 8.250 0.000 0.000 0.424 142 L N 2.707 123.900 121.223 -0.050 0.000 2.410 142 L HA 0.547 4.888 4.340 0.002 0.000 0.273 142 L C -0.579 176.377 176.870 0.144 0.000 1.152 142 L CA 0.719 55.525 54.840 -0.056 0.000 0.855 142 L CB 0.292 42.322 42.059 -0.047 0.000 1.129 142 L HN 0.815 9.045 8.230 0.000 0.000 0.463 143 A N 3.587 126.438 122.820 0.053 0.000 2.524 143 A HA 0.677 4.998 4.320 0.002 0.000 0.286 143 A C -0.478 177.209 177.584 0.171 0.000 1.203 143 A CA -0.643 51.492 52.037 0.163 0.000 0.736 143 A CB 0.876 19.832 19.000 -0.073 0.000 1.322 143 A HN 0.756 8.906 8.150 0.000 0.000 0.424 144 N N -0.874 117.927 118.700 0.168 0.000 2.573 144 N HA -0.136 4.605 4.740 0.002 0.000 0.275 144 N C -0.824 174.698 175.510 0.019 0.000 1.208 144 N CA 0.716 53.809 53.050 0.073 0.000 0.688 144 N CB -1.021 37.438 38.487 -0.047 0.000 0.882 144 N HN 0.557 8.937 8.380 0.000 0.000 0.548 145 F N -0.344 119.600 119.950 -0.010 0.000 2.701 145 F HA 0.278 4.807 4.527 0.002 0.000 0.295 145 F C 2.077 177.848 175.800 -0.048 0.000 1.165 145 F CA 0.057 57.992 58.000 -0.108 0.000 1.399 145 F CB 0.287 39.294 39.000 0.012 0.000 0.996 145 F HN 0.429 8.729 8.300 0.000 0.000 0.513 146 G N -0.488 108.394 108.800 0.136 0.000 2.534 146 G HA2 -0.080 3.881 3.960 0.002 0.000 0.217 146 G HA3 -0.080 3.881 3.960 0.002 0.000 0.217 146 G C 1.369 176.285 174.900 0.027 0.000 1.128 146 G CA 0.426 45.618 45.100 0.153 0.000 0.784 146 G HN 0.200 8.490 8.290 0.000 0.000 0.542 147 L N 0.308 121.495 121.223 -0.061 0.000 2.693 147 L HA 0.433 4.774 4.340 0.002 0.000 0.235 147 L C 1.554 178.366 176.870 -0.098 0.000 1.127 147 L CA -0.337 54.456 54.840 -0.077 0.000 0.914 147 L CB -0.671 41.333 42.059 -0.093 0.000 1.193 147 L HN 0.191 8.421 8.230 0.000 0.000 0.502 148 A N 1.587 124.338 122.820 -0.115 0.000 2.346 148 A HA 0.551 4.872 4.320 0.002 0.000 0.252 148 A C 0.481 178.085 177.584 0.034 0.000 1.089 148 A CA -0.130 51.876 52.037 -0.052 0.000 0.797 148 A CB 0.404 19.440 19.000 0.060 0.000 1.047 148 A HN 0.466 8.616 8.150 0.000 0.000 0.494 149 R N -0.238 120.299 120.500 0.063 0.000 2.629 149 R HA 0.661 5.002 4.340 0.002 0.000 0.266 149 R C -0.574 175.789 176.300 0.106 0.000 1.051 149 R CA -0.236 55.897 56.100 0.055 0.000 0.895 149 R CB 1.180 31.473 30.300 -0.012 0.000 1.246 149 R HN 1.083 9.353 8.270 0.000 0.000 0.459 150 A N 2.483 125.349 122.820 0.076 0.000 2.445 150 A HA 0.478 4.799 4.320 0.002 0.000 0.242 150 A C -0.426 177.217 177.584 0.099 0.000 1.075 150 A CA -0.152 51.913 52.037 0.048 0.000 0.777 150 A CB -0.197 18.797 19.000 -0.011 0.000 1.013 150 A HN 0.625 8.775 8.150 0.000 0.000 0.493 151 F N -0.844 119.098 119.950 -0.014 0.000 2.588 151 F HA 0.787 5.315 4.527 0.002 0.000 0.314 151 F C 0.625 176.452 175.800 0.045 0.000 1.069 151 F CA -0.302 57.706 58.000 0.014 0.000 0.931 151 F CB 1.559 40.540 39.000 -0.032 0.000 1.260 151 F HN 1.145 9.445 8.300 0.000 0.000 0.465 152 G N 1.706 110.613 108.800 0.179 0.000 3.134 152 G HA2 -0.073 3.888 3.960 0.002 0.000 0.195 152 G HA3 -0.073 3.888 3.960 0.002 0.000 0.195 152 G C -0.241 174.696 174.900 0.062 0.000 1.054 152 G CA -0.310 44.822 45.100 0.052 0.000 0.828 152 G HN 0.777 9.067 8.290 0.000 0.000 0.462 153 I N 3.447 124.054 120.570 0.061 0.000 2.696 153 I HA 0.283 4.454 4.170 0.002 0.000 0.284 153 I C -1.628 174.517 176.117 0.047 0.000 1.129 153 I CA -1.646 59.680 61.300 0.042 0.000 1.410 153 I CB 1.087 39.108 38.000 0.035 0.000 1.399 153 I HN -0.032 8.178 8.210 0.000 0.000 0.579 154 P HA 0.093 4.513 4.420 0.000 0.000 0.264 154 P C -1.063 176.223 177.300 -0.024 0.000 1.229 154 P CA 0.130 63.225 63.100 -0.008 0.000 0.780 154 P CB 0.191 31.885 31.700 -0.011 0.000 0.808 155 V N 4.738 124.609 119.914 -0.071 0.000 2.769 155 V HA 0.336 4.457 4.120 0.002 0.000 0.312 155 V C 1.666 177.663 176.094 -0.162 0.000 1.061 155 V CA -0.730 61.508 62.300 -0.103 0.000 0.931 155 V CB 2.218 33.973 31.823 -0.114 0.000 1.010 155 V HN 0.374 8.564 8.190 0.000 0.000 0.433 156 R N 0.981 121.411 120.500 -0.117 0.000 2.096 156 R HA 0.014 4.355 4.340 0.002 0.000 0.235 156 R C 0.491 176.691 176.300 -0.167 0.000 1.127 156 R CA 1.704 57.737 56.100 -0.112 0.000 0.968 156 R CB 0.017 30.279 30.300 -0.064 0.000 0.861 156 R HN 0.962 9.232 8.270 0.000 0.000 0.440 157 C N -4.820 114.351 119.300 -0.216 0.000 3.292 157 C HA 0.466 4.927 4.460 0.002 0.000 0.338 157 C C -0.797 174.030 174.990 -0.271 0.000 1.323 157 C CA -1.953 56.907 59.018 -0.262 0.000 1.232 157 C CB 0.417 28.098 27.740 -0.097 0.000 1.517 157 C HN 0.208 8.438 8.230 0.000 0.000 0.470 158 Y N 0.049 120.284 120.300 -0.110 0.000 2.654 158 Y HA 0.660 5.211 4.550 0.002 0.000 0.327 158 Y C 1.104 177.026 175.900 0.036 0.000 1.122 158 Y CA -0.705 57.342 58.100 -0.088 0.000 1.227 158 Y CB 1.282 39.554 38.460 -0.314 0.000 1.370 158 Y HN 0.852 9.132 8.280 0.000 0.000 0.528 159 S N 0.073 115.952 115.700 0.298 0.000 2.548 159 S HA 0.342 4.814 4.470 0.002 0.000 0.277 159 S C 0.585 175.374 174.600 0.315 0.000 1.315 159 S CA -0.102 58.236 58.200 0.230 0.000 1.050 159 S CB 0.765 64.062 63.200 0.162 0.000 0.918 159 S HN 0.744 9.054 8.310 0.000 0.000 0.497 160 A N 3.837 126.789 122.820 0.220 0.000 2.275 160 A HA 0.252 4.573 4.320 0.002 0.000 0.212 160 A C 0.981 178.613 177.584 0.080 0.000 1.201 160 A CA 0.111 52.256 52.037 0.180 0.000 0.843 160 A CB -0.022 19.065 19.000 0.145 0.000 0.873 160 A HN 0.728 8.878 8.150 0.000 0.000 0.492 161 E N 1.134 121.380 120.200 0.077 0.000 2.325 161 E HA 0.279 4.631 4.350 0.002 0.000 0.295 161 E C -0.635 175.980 176.600 0.025 0.000 1.461 161 E CA 0.049 56.471 56.400 0.037 0.000 1.698 161 E CB -0.089 29.632 29.700 0.035 0.000 1.496 161 E HN 0.416 8.776 8.360 0.000 0.000 0.474 162 V N -2.767 117.147 119.914 0.001 0.000 3.040 162 V HA 0.683 4.804 4.120 0.002 0.000 0.312 162 V C 0.089 176.152 176.094 -0.052 0.000 1.115 162 V CA -1.162 61.125 62.300 -0.022 0.000 0.998 162 V CB 1.977 33.789 31.823 -0.019 0.000 1.042 162 V HN 0.003 8.193 8.190 0.000 0.000 0.433 163 V N 0.089 119.984 119.914 -0.031 0.000 3.456 163 V HA -0.166 3.955 4.120 0.002 0.000 0.495 163 V C 0.479 176.591 176.094 0.031 0.000 0.682 163 V CA 0.746 63.052 62.300 0.010 0.000 2.042 163 V CB -1.697 30.138 31.823 0.020 0.000 2.479 163 V HN 1.368 9.558 8.190 0.000 0.000 0.506 164 T N 6.123 120.712 114.554 0.059 0.000 2.905 164 T HA 0.138 4.489 4.350 0.002 0.000 0.299 164 T C 1.147 175.901 174.700 0.090 0.000 1.024 164 T CA 0.576 62.703 62.100 0.045 0.000 1.151 164 T CB 0.659 69.577 68.868 0.083 0.000 0.987 164 T HN 0.942 9.182 8.240 0.000 0.000 0.535 165 L N 3.961 125.162 121.223 -0.035 0.000 2.034 165 L HA -0.138 4.203 4.340 0.002 0.000 0.217 165 L C 1.861 178.822 176.870 0.152 0.000 1.077 165 L CA 2.009 56.854 54.840 0.008 0.000 0.769 165 L CB -0.637 41.397 42.059 -0.042 0.000 0.890 165 L HN 0.761 8.991 8.230 0.000 0.000 0.435 166 W N -1.179 120.106 121.300 -0.025 0.000 2.468 166 W HA -0.131 4.530 4.660 0.002 0.000 0.262 166 W C 1.822 178.125 176.519 -0.361 0.000 1.241 166 W CA 0.618 57.831 57.345 -0.220 0.000 1.232 166 W CB -1.143 28.088 29.460 -0.382 0.000 1.124 166 W HN 0.321 8.501 8.180 0.000 0.000 0.597 167 Y N -0.963 119.543 120.300 0.344 0.000 2.507 167 Y HA 0.267 4.818 4.550 0.002 0.000 0.254 167 Y C 1.227 177.317 175.900 0.317 0.000 1.171 167 Y CA -0.500 57.794 58.100 0.323 0.000 1.238 167 Y CB -0.187 38.399 38.460 0.210 0.000 1.148 167 Y HN -0.341 7.939 8.280 0.000 0.000 0.525 168 R N 3.036 123.682 120.500 0.245 0.000 2.297 168 R HA 0.265 4.606 4.340 0.002 0.000 0.308 168 R C -2.736 173.394 176.300 -0.284 0.000 1.029 168 R CA -1.835 54.276 56.100 0.019 0.000 0.929 168 R CB 0.657 30.927 30.300 -0.050 0.000 1.046 168 R HN -0.056 8.214 8.270 0.000 0.000 0.461 169 P HA 0.144 4.564 4.420 0.000 0.000 0.276 169 P C -2.367 174.427 177.300 -0.844 0.000 1.244 169 P CA -1.464 60.865 63.100 -1.285 0.000 0.801 169 P CB 0.929 32.146 31.700 -0.805 0.000 1.006 170 P HA -0.183 4.237 4.420 0.000 0.000 0.218 170 P C 1.118 178.376 177.300 -0.070 0.000 1.149 170 P CA 1.548 64.334 63.100 -0.523 0.000 0.817 170 P CB -0.223 31.291 31.700 -0.310 0.000 0.785 171 D N 0.059 120.538 120.400 0.131 0.000 2.117 171 D HA -0.102 4.540 4.640 0.002 0.000 0.197 171 D C 1.876 178.298 176.300 0.203 0.000 0.987 171 D CA 0.990 55.249 54.000 0.430 0.000 0.829 171 D CB -1.187 39.845 40.800 0.388 0.000 0.961 171 D HN 0.065 8.435 8.370 0.000 0.000 0.460 172 V N 1.065 120.977 119.914 -0.003 0.000 2.453 172 V HA -0.158 3.963 4.120 0.002 0.000 0.247 172 V C 2.807 178.874 176.094 -0.045 0.000 1.048 172 V CA 0.872 63.153 62.300 -0.031 0.000 1.049 172 V CB -0.563 31.148 31.823 -0.187 0.000 0.672 172 V HN 0.143 8.333 8.190 0.000 0.000 0.457 173 L N -1.225 119.898 121.223 -0.165 0.000 2.191 173 L HA -0.122 4.219 4.340 0.002 0.000 0.212 173 L C 2.008 178.805 176.870 -0.121 0.000 1.103 173 L CA 1.657 56.364 54.840 -0.221 0.000 0.769 173 L CB -0.454 41.343 42.059 -0.437 0.000 0.908 173 L HN 0.279 8.509 8.230 0.000 0.000 0.438 174 F N -0.411 119.547 119.950 0.013 0.000 2.731 174 F HA 0.176 4.704 4.527 0.002 0.000 0.304 174 F C 1.603 177.441 175.800 0.064 0.000 1.133 174 F CA 0.140 58.173 58.000 0.054 0.000 1.380 174 F CB 0.262 39.308 39.000 0.075 0.000 1.079 174 F HN 0.209 8.509 8.300 0.000 0.000 0.550 175 G N 0.974 109.903 108.800 0.214 0.000 2.137 175 G HA2 -0.220 3.741 3.960 0.002 0.000 0.237 175 G HA3 -0.220 3.741 3.960 0.002 0.000 0.237 175 G C 0.237 175.237 174.900 0.167 0.000 1.002 175 G CA -0.158 45.039 45.100 0.162 0.000 0.702 175 G HN 0.572 8.862 8.290 0.000 0.000 0.515 176 A N -0.135 122.808 122.820 0.204 0.000 2.546 176 A HA 0.539 4.860 4.320 0.002 0.000 0.243 176 A C 1.357 179.082 177.584 0.235 0.000 1.063 176 A CA 1.013 53.178 52.037 0.212 0.000 0.757 176 A CB 0.307 19.467 19.000 0.266 0.000 0.991 176 A HN 0.341 8.491 8.150 0.000 0.000 0.503 177 K N 1.640 122.125 120.400 0.142 0.000 2.361 177 K HA 0.209 4.530 4.320 0.002 0.000 0.194 177 K C -0.382 176.177 176.600 -0.068 0.000 1.032 177 K CA 0.484 56.822 56.287 0.085 0.000 1.048 177 K CB 0.067 32.575 32.500 0.014 0.000 0.842 177 K HN 0.704 8.954 8.250 0.000 0.000 0.526 178 L N 1.478 122.669 121.223 -0.053 0.000 2.362 178 L HA 0.436 4.777 4.340 0.002 0.000 0.275 178 L C -0.872 176.013 176.870 0.025 0.000 0.998 178 L CA -1.357 53.364 54.840 -0.197 0.000 0.820 178 L CB 1.092 43.047 42.059 -0.173 0.000 1.270 178 L HN 0.007 8.237 8.230 0.000 0.000 0.415 179 Y N 0.550 120.948 120.300 0.164 0.000 2.638 179 Y HA 0.806 5.358 4.550 0.002 0.000 0.335 179 Y C -0.255 175.663 175.900 0.031 0.000 1.155 179 Y CA -1.107 57.042 58.100 0.082 0.000 1.046 179 Y CB 1.163 39.658 38.460 0.059 0.000 1.303 179 Y HN 0.547 8.827 8.280 0.000 0.000 0.460 180 S N -1.186 114.570 115.700 0.092 0.000 2.788 180 S HA 0.327 4.798 4.470 0.002 0.000 0.291 180 S C 0.959 175.365 174.600 -0.323 0.000 1.061 180 S CA -0.040 58.034 58.200 -0.211 0.000 0.923 180 S CB 0.476 63.578 63.200 -0.164 0.000 1.339 180 S HN 1.092 9.402 8.310 0.000 0.000 0.591 181 T N 0.057 114.276 114.554 -0.557 0.000 2.897 181 T HA -0.144 4.207 4.350 0.002 0.000 0.271 181 T C 1.984 176.490 174.700 -0.323 0.000 1.084 181 T CA 1.738 63.415 62.100 -0.706 0.000 1.123 181 T CB -1.343 66.994 68.868 -0.885 0.000 0.865 181 T HN 0.840 9.080 8.240 0.000 0.000 0.496 182 S N 1.580 117.194 115.700 -0.143 0.000 2.419 182 S HA -0.108 4.363 4.470 0.002 0.000 0.235 182 S C 1.949 176.567 174.600 0.031 0.000 1.019 182 S CA 0.867 59.056 58.200 -0.018 0.000 0.982 182 S CB -0.979 62.218 63.200 -0.005 0.000 0.789 182 S HN 0.626 8.936 8.310 0.000 0.000 0.490 183 I N 2.011 122.574 120.570 -0.012 0.000 2.163 183 I HA -0.244 3.928 4.170 0.002 0.000 0.243 183 I C 1.617 177.776 176.117 0.070 0.000 1.085 183 I CA 2.157 63.434 61.300 -0.038 0.000 1.347 183 I CB -0.262 37.606 38.000 -0.219 0.000 1.044 183 I HN 0.199 8.409 8.210 0.000 0.000 0.408 184 D N 0.184 120.647 120.400 0.104 0.000 2.224 184 D HA -0.132 4.509 4.640 0.002 0.000 0.205 184 D C 2.198 178.602 176.300 0.173 0.000 0.965 184 D CA 0.963 55.062 54.000 0.165 0.000 0.852 184 D CB -0.064 40.898 40.800 0.270 0.000 0.947 184 D HN 0.330 8.700 8.370 0.000 0.000 0.494 185 M N -0.491 119.221 119.600 0.187 0.000 2.175 185 M HA -0.115 4.366 4.480 0.002 0.000 0.264 185 M C 2.105 178.499 176.300 0.156 0.000 1.063 185 M CA 0.728 56.119 55.300 0.152 0.000 1.119 185 M CB -1.200 31.481 32.600 0.136 0.000 1.377 185 M HN 0.294 8.584 8.290 0.000 0.000 0.415 186 W N 1.524 122.846 121.300 0.036 0.000 2.333 186 W HA -0.195 4.466 4.660 0.002 0.000 0.316 186 W C 2.023 178.602 176.519 0.100 0.000 1.215 186 W CA 2.010 59.385 57.345 0.049 0.000 1.278 186 W CB -0.486 28.982 29.460 0.012 0.000 1.154 186 W HN 0.230 8.410 8.180 0.000 0.000 0.486 187 S N 1.047 116.937 115.700 0.316 0.000 2.383 187 S HA -0.173 4.298 4.470 0.002 0.000 0.229 187 S C 2.108 176.785 174.600 0.129 0.000 1.030 187 S CA 1.671 60.033 58.200 0.271 0.000 1.002 187 S CB -0.855 62.483 63.200 0.230 0.000 0.829 187 S HN 0.375 8.685 8.310 0.000 0.000 0.467 188 A N 1.694 124.551 122.820 0.063 0.000 1.902 188 A HA 0.066 4.387 4.320 0.002 0.000 0.217 188 A C 2.363 179.966 177.584 0.031 0.000 1.181 188 A CA 1.721 53.771 52.037 0.022 0.000 0.623 188 A CB -1.483 17.514 19.000 -0.006 0.000 0.818 188 A HN 0.518 8.668 8.150 0.000 0.000 0.443 189 G N -0.922 107.856 108.800 -0.037 0.000 2.446 189 G HA2 -0.344 3.617 3.960 0.002 0.000 0.217 189 G HA3 -0.344 3.617 3.960 0.002 0.000 0.217 189 G C 1.821 176.660 174.900 -0.101 0.000 1.168 189 G CA 1.348 46.399 45.100 -0.081 0.000 0.771 189 G HN 0.661 8.951 8.290 0.000 0.000 0.551 190 C N 0.500 119.709 119.300 -0.151 0.000 2.398 190 C HA -0.072 4.389 4.460 0.002 0.000 0.276 190 C C 2.739 177.790 174.990 0.102 0.000 1.222 190 C CA 0.960 59.949 59.018 -0.049 0.000 1.746 190 C CB -0.913 26.904 27.740 0.128 0.000 2.039 190 C HN 0.367 8.597 8.230 0.000 0.000 0.470 191 I N 0.364 121.054 120.570 0.200 0.000 2.252 191 I HA -0.054 4.117 4.170 0.002 0.000 0.245 191 I C 2.329 178.597 176.117 0.252 0.000 1.102 191 I CA 1.394 62.835 61.300 0.235 0.000 1.385 191 I CB -1.868 36.218 38.000 0.143 0.000 1.064 191 I HN 0.323 8.533 8.210 0.000 0.000 0.414 192 F N 2.329 122.283 119.950 0.006 0.000 2.091 192 F HA -0.254 4.274 4.527 0.002 0.000 0.299 192 F C 2.488 178.251 175.800 -0.062 0.000 1.103 192 F CA 1.452 59.435 58.000 -0.029 0.000 1.228 192 F CB -0.811 38.122 39.000 -0.111 0.000 0.984 192 F HN 0.084 8.384 8.300 0.000 0.000 0.477 193 A N -0.062 122.684 122.820 -0.122 0.000 1.933 193 A HA -0.192 4.129 4.320 0.002 0.000 0.218 193 A C 2.154 179.617 177.584 -0.201 0.000 1.175 193 A CA 1.706 53.564 52.037 -0.297 0.000 0.628 193 A CB -0.776 18.016 19.000 -0.346 0.000 0.814 193 A HN 0.566 8.716 8.150 0.000 0.000 0.444 194 E N -0.531 119.624 120.200 -0.075 0.000 2.072 194 E HA -0.156 4.196 4.350 0.002 0.000 0.191 194 E C 1.810 178.374 176.600 -0.059 0.000 0.985 194 E CA 0.920 57.261 56.400 -0.097 0.000 0.801 194 E CB -0.275 29.463 29.700 0.063 0.000 0.750 194 E HN 0.388 8.748 8.360 0.000 0.000 0.452 195 L N 0.785 122.140 121.223 0.220 0.000 2.043 195 L HA -0.160 4.181 4.340 0.002 0.000 0.212 195 L C 2.191 179.140 176.870 0.131 0.000 1.075 195 L CA 1.885 56.932 54.840 0.344 0.000 0.752 195 L CB -0.984 41.334 42.059 0.431 0.000 0.891 195 L HN 0.074 8.304 8.230 0.000 0.000 0.432 196 A N -2.058 120.747 122.820 -0.025 0.000 2.278 196 A HA 0.056 4.377 4.320 0.002 0.000 0.212 196 A C 1.634 179.125 177.584 -0.156 0.000 1.213 196 A CA 0.580 52.540 52.037 -0.129 0.000 0.840 196 A CB -0.333 18.447 19.000 -0.367 0.000 0.866 196 A HN 0.507 8.657 8.150 0.000 0.000 0.489 197 N N -1.033 117.571 118.700 -0.160 0.000 2.683 197 N HA 0.425 5.166 4.740 0.002 0.000 0.135 197 N C 0.560 175.970 175.510 -0.168 0.000 1.546 197 N CA 1.080 54.028 53.050 -0.170 0.000 1.140 197 N CB 0.189 38.552 38.487 -0.207 0.000 1.077 197 N HN 0.083 8.463 8.380 0.000 0.000 0.390 198 A N -1.176 121.505 122.820 -0.232 0.000 2.592 198 A HA 0.567 4.888 4.320 0.002 0.000 0.290 198 A C 0.637 177.968 177.584 -0.422 0.000 0.998 198 A CA 0.379 52.270 52.037 -0.243 0.000 0.983 198 A CB -0.448 18.446 19.000 -0.176 0.000 1.240 198 A HN 0.982 9.132 8.150 0.000 0.000 0.535 199 G N 0.178 108.566 108.800 -0.687 0.000 2.176 199 G HA2 -0.218 3.743 3.960 0.002 0.000 0.252 199 G HA3 -0.218 3.743 3.960 0.002 0.000 0.252 199 G C -0.029 174.442 174.900 -0.716 0.000 1.024 199 G CA 0.197 44.413 45.100 -1.474 0.000 0.755 199 G HN 0.451 8.741 8.290 0.000 0.000 0.507 200 R N -0.272 119.993 120.500 -0.392 0.000 2.589 200 R HA 0.482 4.823 4.340 0.002 0.000 0.293 200 R C -2.562 173.610 176.300 -0.214 0.000 0.963 200 R CA -2.381 53.581 56.100 -0.231 0.000 0.905 200 R CB 0.940 31.109 30.300 -0.218 0.000 1.144 200 R HN 0.018 8.288 8.270 0.000 0.000 0.459 201 P HA -0.089 4.331 4.420 0.000 0.000 0.261 201 P C 0.833 177.890 177.300 -0.404 0.000 1.173 201 P CA -0.007 62.939 63.100 -0.255 0.000 0.760 201 P CB 0.513 31.971 31.700 -0.404 0.000 0.783 202 L N 4.116 125.057 121.223 -0.471 0.000 2.093 202 L HA 0.076 4.417 4.340 0.002 0.000 0.208 202 L C 0.453 176.859 176.870 -0.773 0.000 1.085 202 L CA 1.879 56.285 54.840 -0.723 0.000 0.755 202 L CB -0.412 41.028 42.059 -1.031 0.000 0.904 202 L HN 0.215 8.445 8.230 0.000 0.000 0.435 203 F N 1.114 120.860 119.950 -0.339 0.000 2.531 203 F HA 0.404 4.932 4.527 0.002 0.000 0.333 203 F C -2.116 173.363 175.800 -0.536 0.000 1.292 203 F CA -2.783 55.024 58.000 -0.322 0.000 1.184 203 F CB 0.297 39.193 39.000 -0.173 0.000 1.426 203 F HN 0.008 8.308 8.300 0.000 0.000 0.559 204 P HA 0.161 4.581 4.420 0.000 0.000 0.225 204 P C 0.614 177.589 177.300 -0.543 0.000 1.813 204 P CA 0.194 62.443 63.100 -1.417 0.000 1.013 204 P CB 0.379 31.297 31.700 -1.303 0.000 1.961 205 G N 1.700 110.428 108.800 -0.120 0.000 2.491 205 G HA2 -0.042 3.919 3.960 0.002 0.000 0.242 205 G HA3 -0.042 3.919 3.960 0.002 0.000 0.242 205 G C 0.757 175.826 174.900 0.283 0.000 1.266 205 G CA -0.453 44.710 45.100 0.105 0.000 0.844 205 G HN 0.289 8.579 8.290 0.000 0.000 0.571 206 N N -0.253 118.542 118.700 0.157 0.000 2.416 206 N HA 0.092 4.833 4.740 0.002 0.000 0.177 206 N C -0.146 175.431 175.510 0.111 0.000 1.036 206 N CA 0.899 54.040 53.050 0.152 0.000 0.901 206 N CB 0.260 38.801 38.487 0.091 0.000 0.976 206 N HN 0.785 9.165 8.380 0.000 0.000 0.444 207 D N -2.668 117.783 120.400 0.085 0.000 2.779 207 D HA 0.070 4.711 4.640 0.002 0.000 0.331 207 D C 0.494 176.811 176.300 0.029 0.000 1.331 207 D CA -0.706 53.324 54.000 0.050 0.000 0.866 207 D CB 0.764 41.587 40.800 0.038 0.000 1.409 207 D HN -0.323 8.047 8.370 0.000 0.000 0.486 208 V N -0.087 119.832 119.914 0.008 0.000 2.407 208 V HA -0.174 3.947 4.120 0.002 0.000 0.248 208 V C 1.822 177.894 176.094 -0.037 0.000 1.055 208 V CA 2.512 64.793 62.300 -0.031 0.000 1.049 208 V CB -0.808 30.999 31.823 -0.025 0.000 0.662 208 V HN 0.745 8.935 8.190 0.000 0.000 0.455 209 D N 0.010 120.431 120.400 0.036 0.000 2.097 209 D HA -0.222 4.419 4.640 0.002 0.000 0.195 209 D C 1.899 178.254 176.300 0.093 0.000 0.989 209 D CA 1.556 55.629 54.000 0.121 0.000 0.827 209 D CB -0.220 40.646 40.800 0.110 0.000 0.966 209 D HN 0.422 8.792 8.370 0.000 0.000 0.456 210 D N -0.783 119.644 120.400 0.046 0.000 2.149 210 D HA -0.196 4.445 4.640 0.002 0.000 0.198 210 D C 1.900 178.170 176.300 -0.051 0.000 0.990 210 D CA 1.018 55.030 54.000 0.021 0.000 0.839 210 D CB -0.220 40.599 40.800 0.032 0.000 0.948 210 D HN 0.125 8.495 8.370 0.000 0.000 0.460 211 Q N -0.062 119.692 119.800 -0.078 0.000 2.050 211 Q HA -0.063 4.278 4.340 0.002 0.000 0.202 211 Q C 2.264 178.031 176.000 -0.388 0.000 0.980 211 Q CA 1.348 57.055 55.803 -0.160 0.000 0.840 211 Q CB -0.460 28.207 28.738 -0.119 0.000 0.898 211 Q HN 0.394 8.664 8.270 0.000 0.000 0.424 212 L N -0.067 120.859 121.223 -0.496 0.000 2.046 212 L HA -0.210 4.131 4.340 0.002 0.000 0.208 212 L C 2.376 178.721 176.870 -0.876 0.000 1.077 212 L CA 1.522 55.782 54.840 -0.965 0.000 0.747 212 L CB -0.360 40.998 42.059 -1.168 0.000 0.896 212 L HN 0.184 8.414 8.230 0.000 0.000 0.432 213 K N -0.173 120.053 120.400 -0.290 0.000 2.032 213 K HA -0.179 4.142 4.320 0.002 0.000 0.209 213 K C 2.228 178.664 176.600 -0.273 0.000 1.048 213 K CA 1.443 57.691 56.287 -0.065 0.000 0.927 213 K CB -0.152 32.435 32.500 0.145 0.000 0.712 213 K HN 0.230 8.480 8.250 0.000 0.000 0.441 214 R N 0.558 120.913 120.500 -0.241 0.000 2.105 214 R HA -0.105 4.236 4.340 0.002 0.000 0.239 214 R C 2.324 178.453 176.300 -0.286 0.000 1.135 214 R CA 1.384 57.381 56.100 -0.172 0.000 0.967 214 R CB -0.418 29.865 30.300 -0.028 0.000 0.861 214 R HN 0.202 8.472 8.270 0.000 0.000 0.442 215 I N -0.150 120.007 120.570 -0.688 0.000 2.202 215 I HA -0.259 3.913 4.170 0.002 0.000 0.242 215 I C 1.707 177.656 176.117 -0.279 0.000 1.091 215 I CA 1.242 61.987 61.300 -0.926 0.000 1.368 215 I CB -0.173 37.235 38.000 -0.987 0.000 1.058 215 I HN 0.033 8.243 8.210 0.000 0.000 0.410 216 F N 0.555 120.355 119.950 -0.249 0.000 2.259 216 F HA -0.046 4.482 4.527 0.002 0.000 0.298 216 F C 2.581 178.223 175.800 -0.264 0.000 1.088 216 F CA 0.844 58.786 58.000 -0.097 0.000 1.358 216 F CB -1.055 38.017 39.000 0.120 0.000 1.040 216 F HN -0.036 8.264 8.300 0.000 0.000 0.505 217 R N 0.175 120.374 120.500 -0.500 0.000 2.091 217 R HA -0.188 4.153 4.340 0.002 0.000 0.238 217 R C 2.152 178.375 176.300 -0.128 0.000 1.136 217 R CA 1.347 57.055 56.100 -0.652 0.000 0.959 217 R CB -0.512 29.446 30.300 -0.570 0.000 0.856 217 R HN 0.279 8.549 8.270 0.000 0.000 0.437 218 L N -0.059 121.165 121.223 0.001 0.000 2.068 218 L HA -0.034 4.307 4.340 0.002 0.000 0.204 218 L C 1.562 178.506 176.870 0.124 0.000 1.076 218 L CA 1.484 56.383 54.840 0.099 0.000 0.753 218 L CB -0.142 42.051 42.059 0.223 0.000 0.910 218 L HN 0.157 8.387 8.230 0.000 0.000 0.439 219 L N -0.237 121.089 121.223 0.172 0.000 2.529 219 L HA 0.454 4.796 4.340 0.002 0.000 0.223 219 L C 0.855 177.833 176.870 0.179 0.000 1.113 219 L CA 0.633 55.582 54.840 0.182 0.000 0.861 219 L CB -1.084 41.119 42.059 0.241 0.000 1.012 219 L HN 0.374 8.604 8.230 0.000 0.000 0.461 220 G N -0.557 108.367 108.800 0.207 0.000 2.719 220 G HA2 -0.179 3.783 3.960 0.002 0.000 0.686 220 G HA3 -0.179 3.783 3.960 0.002 0.000 0.686 220 G C -0.201 174.818 174.900 0.199 0.000 1.201 220 G CA -0.562 44.664 45.100 0.210 0.000 0.768 220 G HN -0.021 8.269 8.290 0.000 0.000 0.629 221 T N 4.206 118.838 114.554 0.129 0.000 2.832 221 T HA 0.521 4.872 4.350 0.002 0.000 0.296 221 T C -1.805 172.822 174.700 -0.122 0.000 0.968 221 T CA -0.289 61.696 62.100 -0.192 0.000 1.107 221 T CB 1.215 70.010 68.868 -0.122 0.000 0.916 221 T HN 0.520 8.760 8.240 0.000 0.000 0.517 222 P HA 0.169 4.589 4.420 0.000 0.000 0.268 222 P C 0.221 177.536 177.300 0.024 0.000 1.205 222 P CA -0.356 62.781 63.100 0.061 0.000 0.771 222 P CB 0.287 32.175 31.700 0.313 0.000 0.858 223 T N -1.621 112.963 114.554 0.051 0.000 2.881 223 T HA 0.201 4.552 4.350 0.002 0.000 0.278 223 T C 1.314 176.029 174.700 0.025 0.000 0.982 223 T CA -0.512 61.600 62.100 0.019 0.000 0.989 223 T CB 0.821 69.702 68.868 0.022 0.000 1.058 223 T HN 0.485 8.725 8.240 0.000 0.000 0.529 224 E N 0.269 120.456 120.200 -0.022 0.000 2.160 224 E HA -0.260 4.091 4.350 0.002 0.000 0.195 224 E C 1.829 178.436 176.600 0.012 0.000 0.991 224 E CA 1.592 57.968 56.400 -0.041 0.000 0.810 224 E CB -0.266 29.392 29.700 -0.071 0.000 0.742 224 E HN 0.833 9.193 8.360 0.000 0.000 0.466 225 E N 0.394 120.609 120.200 0.024 0.000 2.106 225 E HA -0.181 4.171 4.350 0.002 0.000 0.192 225 E C 2.127 178.768 176.600 0.068 0.000 0.984 225 E CA 1.120 57.543 56.400 0.037 0.000 0.806 225 E CB 0.091 29.807 29.700 0.027 0.000 0.750 225 E HN 0.444 8.804 8.360 0.000 0.000 0.458 226 Q N -1.373 118.484 119.800 0.094 0.000 2.245 226 Q HA -0.086 4.255 4.340 0.002 0.000 0.201 226 Q C 0.068 176.193 176.000 0.208 0.000 0.955 226 Q CA 0.492 56.367 55.803 0.121 0.000 0.870 226 Q CB 0.385 29.192 28.738 0.116 0.000 0.945 226 Q HN 0.223 8.493 8.270 0.000 0.000 0.461 227 W N 0.404 121.695 121.300 -0.016 0.000 1.752 227 W HA 0.337 4.998 4.660 0.002 0.000 0.308 227 W C -2.939 173.548 176.519 -0.054 0.000 0.978 227 W CA -2.650 54.683 57.345 -0.019 0.000 1.401 227 W CB 0.806 30.265 29.460 -0.002 0.000 1.522 227 W HN -0.078 8.102 8.180 0.000 0.000 0.359 228 P HA -0.175 4.245 4.420 0.000 0.000 0.218 228 P C 1.685 178.921 177.300 -0.107 0.000 1.148 228 P CA 2.509 65.609 63.100 0.002 0.000 0.822 228 P CB 0.131 31.850 31.700 0.031 0.000 0.784 229 S N -2.315 113.350 115.700 -0.059 0.000 2.558 229 S HA 0.036 4.507 4.470 0.002 0.000 0.217 229 S C 1.845 176.175 174.600 -0.451 0.000 0.975 229 S CA -0.050 58.059 58.200 -0.153 0.000 0.912 229 S CB -1.089 62.125 63.200 0.023 0.000 0.776 229 S HN 0.001 8.311 8.310 0.000 0.000 0.526 230 M N 2.922 121.980 119.600 -0.903 0.000 2.088 230 M HA -0.177 4.304 4.480 0.002 0.000 0.256 230 M C 2.224 177.826 176.300 -1.163 0.000 1.071 230 M CA 2.373 56.821 55.300 -1.420 0.000 1.097 230 M CB -0.883 30.717 32.600 -1.667 0.000 1.315 230 M HN 0.603 8.893 8.290 0.000 0.000 0.406 231 T N -2.411 111.471 114.554 -1.120 0.000 3.163 231 T HA -0.019 4.333 4.350 0.002 0.000 0.260 231 T C 1.269 175.507 174.700 -0.770 0.000 1.156 231 T CA 0.797 62.011 62.100 -1.476 0.000 1.072 231 T CB -0.336 67.916 68.868 -1.026 0.000 0.937 231 T HN 0.522 8.762 8.240 0.000 0.000 0.528 232 K N 0.297 120.395 120.400 -0.503 0.000 2.353 232 K HA 0.338 4.659 4.320 0.002 0.000 0.195 232 K C 0.335 176.831 176.600 -0.174 0.000 1.031 232 K CA -0.217 55.914 56.287 -0.260 0.000 1.079 232 K CB 0.221 32.608 32.500 -0.188 0.000 0.857 232 K HN 0.375 8.625 8.250 0.000 0.000 0.535 233 L N 2.164 123.254 121.223 -0.221 0.000 2.483 233 L HA 0.016 4.357 4.340 0.002 0.000 0.276 233 L C -1.437 175.433 176.870 0.000 0.000 1.213 233 L CA -1.308 53.485 54.840 -0.078 0.000 0.843 233 L CB 0.222 42.245 42.059 -0.061 0.000 1.107 233 L HN -0.140 8.090 8.230 0.000 0.000 0.487 234 P HA -0.132 4.288 4.420 0.000 0.000 0.216 234 P C 0.187 177.534 177.300 0.080 0.000 1.150 234 P CA 1.254 64.387 63.100 0.054 0.000 0.837 234 P CB 0.201 31.938 31.700 0.061 0.000 0.786 235 D N -2.620 117.858 120.400 0.130 0.000 2.525 235 D HA 0.051 4.692 4.640 0.002 0.000 0.229 235 D C 0.036 176.466 176.300 0.216 0.000 1.202 235 D CA -0.476 53.619 54.000 0.159 0.000 0.828 235 D CB -0.586 40.317 40.800 0.172 0.000 1.008 235 D HN 0.178 8.548 8.370 0.000 0.000 0.493 236 Y N 3.317 123.580 120.300 -0.061 0.000 2.610 236 Y HA 0.048 4.600 4.550 0.002 0.000 0.332 236 Y C 0.371 176.222 175.900 -0.083 0.000 1.201 236 Y CA -0.125 57.766 58.100 -0.347 0.000 1.465 236 Y CB 0.417 38.531 38.460 -0.577 0.000 1.283 236 Y HN -0.105 8.175 8.280 0.000 0.000 0.563 237 K N 5.777 125.623 120.400 -0.924 0.000 2.508 237 K HA 0.606 4.927 4.320 0.002 0.000 0.260 237 K C -3.353 172.659 176.600 -0.980 0.000 0.949 237 K CA -2.337 53.453 56.287 -0.829 0.000 0.834 237 K CB 1.980 34.328 32.500 -0.255 0.000 1.365 237 K HN 0.236 8.486 8.250 0.000 0.000 0.437 238 P HA 0.037 4.457 4.420 0.000 0.000 0.267 238 P C -1.390 175.815 177.300 -0.158 0.000 1.209 238 P CA 0.197 63.168 63.100 -0.215 0.000 0.763 238 P CB 0.024 31.662 31.700 -0.104 0.000 0.816 239 Y N 3.600 123.920 120.300 0.033 0.000 2.528 239 Y HA 0.441 4.992 4.550 0.002 0.000 0.335 239 Y C -1.518 174.388 175.900 0.009 0.000 1.093 239 Y CA -2.273 55.903 58.100 0.127 0.000 1.134 239 Y CB 0.046 38.744 38.460 0.397 0.000 1.253 239 Y HN 0.358 8.638 8.280 0.000 0.000 0.478 240 P HA 0.074 4.494 4.420 0.000 0.000 0.268 240 P C -0.788 176.340 177.300 -0.287 0.000 1.208 240 P CA -0.003 62.942 63.100 -0.259 0.000 0.777 240 P CB 0.436 31.781 31.700 -0.592 0.000 0.875 241 M N 2.429 121.886 119.600 -0.238 0.000 2.151 241 M HA 0.210 4.691 4.480 0.002 0.000 0.349 241 M C -0.592 175.613 176.300 -0.158 0.000 1.284 241 M CA -0.374 54.848 55.300 -0.131 0.000 1.173 241 M CB -1.060 31.503 32.600 -0.062 0.000 1.469 241 M HN 0.299 8.589 8.290 0.000 0.000 0.439 242 Y N 4.336 124.683 120.300 0.079 0.000 2.299 242 Y HA 0.380 4.931 4.550 0.002 0.000 0.326 242 Y C -1.608 174.332 175.900 0.067 0.000 1.164 242 Y CA -1.945 56.208 58.100 0.089 0.000 1.234 242 Y CB 0.092 38.633 38.460 0.136 0.000 1.219 242 Y HN 0.482 8.762 8.280 0.000 0.000 0.497 243 P HA 0.078 4.498 4.420 0.000 0.000 0.271 243 P C -0.362 177.015 177.300 0.127 0.000 1.218 243 P CA -0.212 62.964 63.100 0.127 0.000 0.780 243 P CB 1.194 32.952 31.700 0.098 0.000 0.901 244 A N 1.977 124.854 122.820 0.096 0.000 2.291 244 A HA 0.069 4.390 4.320 0.002 0.000 0.220 244 A C 1.329 178.954 177.584 0.068 0.000 1.262 244 A CA 0.714 52.804 52.037 0.088 0.000 0.867 244 A CB -1.144 17.901 19.000 0.076 0.000 0.888 244 A HN 0.618 8.768 8.150 0.000 0.000 0.487 245 T N -4.075 110.518 114.554 0.064 0.000 3.069 245 T HA 0.130 4.481 4.350 0.002 0.000 0.252 245 T C 0.540 175.263 174.700 0.039 0.000 1.053 245 T CA 0.177 62.304 62.100 0.046 0.000 0.964 245 T CB -0.249 68.644 68.868 0.042 0.000 1.005 245 T HN 0.131 8.371 8.240 0.000 0.000 0.532 246 T N 3.253 117.835 114.554 0.047 0.000 2.779 246 T HA 0.375 4.726 4.350 0.002 0.000 0.296 246 T C 0.282 174.990 174.700 0.014 0.000 0.938 246 T CA -0.169 61.951 62.100 0.033 0.000 1.119 246 T CB 1.080 69.974 68.868 0.043 0.000 0.891 246 T HN 0.398 8.638 8.240 0.000 0.000 0.526 247 S N 2.871 118.571 115.700 -0.000 0.000 2.549 247 S HA 0.181 4.652 4.470 0.002 0.000 0.283 247 S C 1.087 175.665 174.600 -0.036 0.000 1.320 247 S CA -0.719 57.472 58.200 -0.016 0.000 1.058 247 S CB 0.062 63.250 63.200 -0.020 0.000 0.882 247 S HN 0.622 8.932 8.310 0.000 0.000 0.498 248 L N 5.119 126.310 121.223 -0.052 0.000 2.607 248 L HA 0.124 4.465 4.340 0.002 0.000 0.228 248 L C 1.985 178.792 176.870 -0.105 0.000 1.123 248 L CA -0.086 54.701 54.840 -0.088 0.000 0.890 248 L CB -0.305 41.690 42.059 -0.107 0.000 1.103 248 L HN 0.526 8.756 8.230 0.000 0.000 0.468 249 V N 0.762 120.628 119.914 -0.081 0.000 2.278 249 V HA -0.327 3.794 4.120 0.002 0.000 0.251 249 V C 1.979 178.018 176.094 -0.091 0.000 1.062 249 V CA 2.049 64.301 62.300 -0.080 0.000 1.038 249 V CB -0.456 31.334 31.823 -0.055 0.000 0.646 249 V HN 0.618 8.808 8.190 0.000 0.000 0.447 250 N N -0.583 118.065 118.700 -0.086 0.000 2.412 250 N HA 0.021 4.762 4.740 0.002 0.000 0.184 250 N C 1.498 176.938 175.510 -0.117 0.000 1.101 250 N CA 0.594 53.590 53.050 -0.090 0.000 0.881 250 N CB 0.650 39.094 38.487 -0.072 0.000 0.969 250 N HN 0.395 8.775 8.380 0.000 0.000 0.459 251 V N 0.575 120.406 119.914 -0.138 0.000 2.591 251 V HA -0.035 4.086 4.120 0.002 0.000 0.249 251 V C 1.146 177.111 176.094 -0.214 0.000 1.053 251 V CA 0.905 63.097 62.300 -0.180 0.000 1.068 251 V CB -0.037 31.669 31.823 -0.194 0.000 0.689 251 V HN 0.173 8.363 8.190 0.000 0.000 0.462 252 V N -2.338 117.450 119.914 -0.210 0.000 2.384 252 V HA 0.421 4.543 4.120 0.002 0.000 0.257 252 V C -1.677 174.306 176.094 -0.186 0.000 0.969 252 V CA -1.285 60.869 62.300 -0.244 0.000 0.910 252 V CB 0.789 32.397 31.823 -0.357 0.000 1.150 252 V HN 0.194 8.384 8.190 0.000 0.000 0.481 253 P HA -0.059 4.361 4.420 0.000 0.000 0.225 253 P C 1.143 178.393 177.300 -0.083 0.000 1.148 253 P CA 1.005 64.044 63.100 -0.101 0.000 0.779 253 P CB 0.352 32.000 31.700 -0.086 0.000 0.780 254 K N -1.043 119.303 120.400 -0.090 0.000 2.432 254 K HA 0.068 4.390 4.320 0.002 0.000 0.196 254 K C 0.685 177.263 176.600 -0.036 0.000 1.038 254 K CA 0.201 56.458 56.287 -0.049 0.000 0.986 254 K CB -0.174 32.309 32.500 -0.029 0.000 0.782 254 K HN 0.215 8.465 8.250 0.000 0.000 0.485 255 L N 2.498 123.669 121.223 -0.088 0.000 2.325 255 L HA 0.152 4.493 4.340 0.002 0.000 0.279 255 L C 0.594 177.436 176.870 -0.046 0.000 1.054 255 L CA -0.780 54.015 54.840 -0.075 0.000 0.804 255 L CB 1.073 42.997 42.059 -0.225 0.000 1.200 255 L HN 0.173 8.403 8.230 0.000 0.000 0.436 256 N N 1.979 120.684 118.700 0.008 0.000 2.327 256 N HA 0.132 4.873 4.740 0.002 0.000 0.257 256 N C 0.822 176.331 175.510 -0.000 0.000 1.281 256 N CA 0.143 53.201 53.050 0.013 0.000 0.942 256 N CB 0.413 38.930 38.487 0.050 0.000 1.199 256 N HN 0.560 8.940 8.380 0.000 0.000 0.532 257 A N 0.073 122.898 122.820 0.009 0.000 1.940 257 A HA -0.165 4.156 4.320 0.002 0.000 0.219 257 A C 2.191 179.799 177.584 0.040 0.000 1.176 257 A CA 2.224 54.268 52.037 0.011 0.000 0.631 257 A CB -1.409 17.601 19.000 0.015 0.000 0.814 257 A HN 0.823 8.973 8.150 0.000 0.000 0.446 258 T N -0.285 114.319 114.554 0.082 0.000 2.652 258 T HA -0.086 4.266 4.350 0.002 0.000 0.267 258 T C 1.982 176.767 174.700 0.142 0.000 1.039 258 T CA 1.682 63.883 62.100 0.168 0.000 1.153 258 T CB -0.729 68.255 68.868 0.193 0.000 0.863 258 T HN 0.606 8.846 8.240 0.000 0.000 0.428 259 G N 1.155 109.992 108.800 0.062 0.000 2.422 259 G HA2 -0.197 3.764 3.960 0.002 0.000 0.218 259 G HA3 -0.197 3.764 3.960 0.002 0.000 0.218 259 G C 1.718 176.477 174.900 -0.235 0.000 1.146 259 G CA 0.307 45.273 45.100 -0.225 0.000 0.769 259 G HN 0.414 8.704 8.290 0.000 0.000 0.547 260 R N 0.017 120.423 120.500 -0.157 0.000 2.096 260 R HA -0.047 4.295 4.340 0.002 0.000 0.235 260 R C 2.218 178.459 176.300 -0.098 0.000 1.127 260 R CA 1.397 57.399 56.100 -0.163 0.000 0.968 260 R CB -0.323 29.910 30.300 -0.112 0.000 0.861 260 R HN 0.463 8.733 8.270 0.000 0.000 0.440 261 D N 0.503 120.886 120.400 -0.028 0.000 2.097 261 D HA -0.172 4.469 4.640 0.002 0.000 0.195 261 D C 1.842 178.134 176.300 -0.014 0.000 0.989 261 D CA 0.690 54.717 54.000 0.044 0.000 0.827 261 D CB 0.082 40.983 40.800 0.168 0.000 0.966 261 D HN 0.010 8.380 8.370 0.000 0.000 0.456 262 L N 0.278 121.355 121.223 -0.242 0.000 2.012 262 L HA -0.070 4.271 4.340 0.002 0.000 0.210 262 L C 2.093 178.877 176.870 -0.144 0.000 1.073 262 L CA 1.462 56.009 54.840 -0.489 0.000 0.748 262 L CB -1.044 40.455 42.059 -0.933 0.000 0.891 262 L HN 0.268 8.498 8.230 0.000 0.000 0.431 263 L N -0.349 120.854 121.223 -0.033 0.000 2.043 263 L HA -0.280 4.061 4.340 0.002 0.000 0.212 263 L C 2.476 179.304 176.870 -0.070 0.000 1.075 263 L CA 1.971 56.803 54.840 -0.013 0.000 0.752 263 L CB -0.728 41.182 42.059 -0.248 0.000 0.891 263 L HN 0.476 8.706 8.230 0.000 0.000 0.432 264 Q N -0.975 118.786 119.800 -0.065 0.000 2.224 264 Q HA -0.135 4.206 4.340 0.002 0.000 0.203 264 Q C 1.934 177.931 176.000 -0.004 0.000 0.970 264 Q CA 1.222 57.006 55.803 -0.032 0.000 0.865 264 Q CB -0.168 28.564 28.738 -0.010 0.000 0.922 264 Q HN 0.626 8.896 8.270 0.000 0.000 0.445 265 N N 0.197 118.897 118.700 -0.001 0.000 2.331 265 N HA -0.061 4.680 4.740 0.002 0.000 0.180 265 N C 1.668 177.190 175.510 0.021 0.000 1.019 265 N CA 0.793 53.858 53.050 0.026 0.000 0.881 265 N CB 0.172 38.689 38.487 0.050 0.000 0.972 265 N HN 0.253 8.633 8.380 0.000 0.000 0.435 266 L N 0.509 121.724 121.223 -0.012 0.000 2.095 266 L HA 0.034 4.375 4.340 0.002 0.000 0.204 266 L C 1.214 178.054 176.870 -0.051 0.000 1.080 266 L CA 0.619 55.448 54.840 -0.018 0.000 0.759 266 L CB -0.087 41.946 42.059 -0.043 0.000 0.914 266 L HN 0.019 8.249 8.230 0.000 0.000 0.439 267 L N 1.144 122.281 121.223 -0.144 0.000 2.998 267 L HA 0.127 4.468 4.340 0.002 0.000 0.234 267 L C -0.048 176.890 176.870 0.114 0.000 1.350 267 L CA -0.148 54.512 54.840 -0.300 0.000 1.202 267 L CB -0.405 41.394 42.059 -0.432 0.000 1.583 267 L HN 0.046 8.276 8.230 0.000 0.000 0.456 268 K N -0.320 120.209 120.400 0.214 0.000 2.258 268 K HA 0.166 4.488 4.320 0.002 0.000 0.284 268 K C 0.811 177.557 176.600 0.243 0.000 1.051 268 K CA -0.224 56.176 56.287 0.189 0.000 0.923 268 K CB 2.010 34.548 32.500 0.065 0.000 1.046 268 K HN 0.240 8.490 8.250 0.000 0.000 0.474 269 C N 1.793 121.170 119.300 0.128 0.000 2.432 269 C HA -0.113 4.348 4.460 0.002 0.000 0.277 269 C C 1.466 175.955 174.990 -0.835 0.000 1.249 269 C CA 0.335 59.254 59.018 -0.165 0.000 1.725 269 C CB -0.779 27.026 27.740 0.107 0.000 2.028 269 C HN 0.825 9.055 8.230 0.000 0.000 0.477 270 N N 1.729 119.868 118.700 -0.935 0.000 2.431 270 N HA 0.029 4.770 4.740 0.002 0.000 0.265 270 N C -1.427 173.721 175.510 -0.602 0.000 1.184 270 N CA -0.936 51.317 53.050 -1.327 0.000 0.943 270 N CB 1.103 39.102 38.487 -0.814 0.000 1.080 270 N HN 0.237 8.617 8.380 0.000 0.000 0.477 271 P HA -0.148 4.272 4.420 0.000 0.000 0.218 271 P C 1.276 178.514 177.300 -0.103 0.000 1.149 271 P CA 0.883 63.873 63.100 -0.183 0.000 0.817 271 P CB 0.183 31.831 31.700 -0.087 0.000 0.785 272 V N 0.464 120.312 119.914 -0.110 0.000 2.594 272 V HA -0.207 3.914 4.120 0.002 0.000 0.253 272 V C 2.466 178.536 176.094 -0.039 0.000 1.069 272 V CA 1.740 64.011 62.300 -0.047 0.000 1.082 272 V CB -1.421 30.387 31.823 -0.024 0.000 0.680 272 V HN 0.208 8.398 8.190 0.000 0.000 0.469 273 Q N -0.682 119.076 119.800 -0.070 0.000 2.425 273 Q HA 0.103 4.444 4.340 0.002 0.000 0.204 273 Q C 0.854 176.854 176.000 0.000 0.000 0.933 273 Q CA -0.054 55.731 55.803 -0.031 0.000 0.939 273 Q CB 0.220 28.931 28.738 -0.044 0.000 1.044 273 Q HN 0.572 8.842 8.270 0.000 0.000 0.513 274 R N 1.179 121.681 120.500 0.003 0.000 2.438 274 R HA 0.216 4.557 4.340 0.002 0.000 0.287 274 R C 0.010 176.339 176.300 0.050 0.000 1.077 274 R CA -0.225 55.901 56.100 0.043 0.000 1.034 274 R CB 0.749 31.090 30.300 0.068 0.000 0.993 274 R HN 0.159 8.429 8.270 0.000 0.000 0.459 275 I N 2.251 122.857 120.570 0.060 0.000 2.813 275 I HA -0.084 4.087 4.170 0.002 0.000 0.287 275 I C 0.559 176.722 176.117 0.077 0.000 1.196 275 I CA 0.444 61.786 61.300 0.070 0.000 1.421 275 I CB 0.760 38.808 38.000 0.080 0.000 1.365 275 I HN 0.732 8.942 8.210 0.000 0.000 0.591 276 S N 5.700 121.450 115.700 0.083 0.000 2.632 276 S HA 0.401 4.873 4.470 0.002 0.000 0.267 276 S C 1.031 175.695 174.600 0.107 0.000 1.276 276 S CA -0.203 58.058 58.200 0.100 0.000 0.998 276 S CB 1.634 64.891 63.200 0.094 0.000 0.953 276 S HN 0.810 9.120 8.310 0.000 0.000 0.547 277 A N 0.660 123.557 122.820 0.129 0.000 1.902 277 A HA -0.124 4.197 4.320 0.002 0.000 0.217 277 A C 2.136 179.749 177.584 0.047 0.000 1.181 277 A CA 1.753 53.828 52.037 0.065 0.000 0.623 277 A CB -1.258 17.750 19.000 0.013 0.000 0.818 277 A HN 1.038 9.188 8.150 0.000 0.000 0.443 278 E N 0.020 120.259 120.200 0.065 0.000 2.085 278 E HA -0.258 4.093 4.350 0.002 0.000 0.194 278 E C 1.840 178.492 176.600 0.086 0.000 0.994 278 E CA 1.581 58.016 56.400 0.059 0.000 0.801 278 E CB -0.207 29.531 29.700 0.064 0.000 0.743 278 E HN 0.752 9.112 8.360 0.000 0.000 0.453 279 E N 0.130 120.390 120.200 0.101 0.000 2.072 279 E HA -0.145 4.206 4.350 0.002 0.000 0.191 279 E C 2.075 178.781 176.600 0.177 0.000 0.985 279 E CA 0.814 57.289 56.400 0.124 0.000 0.801 279 E CB -0.131 29.636 29.700 0.111 0.000 0.750 279 E HN 0.399 8.759 8.360 0.000 0.000 0.452 280 A N 1.151 124.072 122.820 0.168 0.000 1.933 280 A HA -0.157 4.164 4.320 0.002 0.000 0.218 280 A C 2.137 179.949 177.584 0.381 0.000 1.175 280 A CA 1.054 53.230 52.037 0.231 0.000 0.628 280 A CB -0.581 18.506 19.000 0.145 0.000 0.814 280 A HN 0.148 8.298 8.150 0.000 0.000 0.444 281 L N -0.886 120.473 121.223 0.228 0.000 2.362 281 L HA -0.165 4.176 4.340 0.002 0.000 0.219 281 L C 2.279 179.352 176.870 0.340 0.000 1.134 281 L CA 0.966 55.919 54.840 0.187 0.000 0.807 281 L CB -0.285 41.749 42.059 -0.043 0.000 0.927 281 L HN 0.500 8.730 8.230 0.000 0.000 0.447 282 Q N -1.806 118.168 119.800 0.290 0.000 2.360 282 Q HA 0.030 4.371 4.340 0.002 0.000 0.202 282 Q C 0.480 176.644 176.000 0.273 0.000 0.915 282 Q CA -0.169 55.784 55.803 0.250 0.000 0.943 282 Q CB 0.181 29.015 28.738 0.161 0.000 1.064 282 Q HN 0.387 8.657 8.270 0.000 0.000 0.511 283 H N 2.710 121.938 119.070 0.264 0.000 2.897 283 H HA 0.005 4.562 4.556 0.002 0.000 0.347 283 H C -1.529 173.898 175.328 0.165 0.000 1.068 283 H CA -1.215 54.943 56.048 0.184 0.000 1.426 283 H CB 1.256 31.109 29.762 0.151 0.000 1.410 283 H HN -0.022 8.258 8.280 0.000 0.000 0.597 284 P HA -0.198 4.222 4.420 0.000 0.000 0.223 284 P C 1.315 178.702 177.300 0.145 0.000 1.144 284 P CA 0.948 64.063 63.100 0.024 0.000 0.783 284 P CB -0.216 31.430 31.700 -0.089 0.000 0.771 285 Y N 0.636 121.042 120.300 0.177 0.000 2.228 285 Y HA -0.195 4.356 4.550 0.002 0.000 0.285 285 Y C 1.406 177.096 175.900 -0.350 0.000 1.178 285 Y CA 1.584 59.582 58.100 -0.171 0.000 1.202 285 Y CB -0.847 37.317 38.460 -0.493 0.000 0.974 285 Y HN -0.184 8.096 8.280 0.000 0.000 0.527 286 F N -0.950 119.013 119.950 0.022 0.000 2.641 286 F HA 0.151 4.679 4.527 0.002 0.000 0.302 286 F C 2.255 178.046 175.800 -0.013 0.000 1.098 286 F CA 0.301 58.224 58.000 -0.128 0.000 1.318 286 F CB -0.662 38.389 39.000 0.085 0.000 1.035 286 F HN 0.056 8.356 8.300 0.000 0.000 0.551 287 S N -1.163 114.621 115.700 0.141 0.000 2.368 287 S HA -0.161 4.310 4.470 0.002 0.000 0.224 287 S C 1.221 175.875 174.600 0.089 0.000 1.029 287 S CA 1.271 59.542 58.200 0.117 0.000 0.988 287 S CB -0.257 62.988 63.200 0.075 0.000 0.838 287 S HN 0.229 8.539 8.310 0.000 0.000 0.462 288 D N 0.488 120.926 120.400 0.064 0.000 3.139 288 D HA 0.468 5.109 4.640 0.002 0.000 0.268 288 D C -0.992 175.379 176.300 0.119 0.000 1.322 288 D CA -0.530 53.504 54.000 0.056 0.000 0.940 288 D CB -0.504 40.310 40.800 0.024 0.000 1.050 288 D HN 0.242 8.612 8.370 0.000 0.000 0.503 289 F N 0.000 119.877 119.950 -0.121 0.000 2.286 289 F HA 0.000 4.528 4.527 0.002 0.000 0.279 289 F CA 0.000 57.879 58.000 -0.203 0.000 1.383 289 F CB 0.000 38.825 39.000 -0.292 0.000 1.145 289 F HN 0.000 8.300 8.300 0.000 0.000 0.574