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 2p01_1_A DATA FIRST_RESID 1 DATA SEQUENCE YSREKNQPKP SPKRESGEEF RMEKLNQLWE KAQRLHLPPV RLAELHADLK DATA SEQUENCE IQERDELAWK KLKLDGLDED GEKEARLIRN LNVILAKYGL DGKKDARQVT DATA SEQUENCE SNSLSGTQED GLDDPRLEKL WHKAKTSGKF SGEELDKLWR EFLHHKEKVH DATA SEQUENCE EYNVLLETLS RTEEIHENVI SPSDLSDIKG SVLHSRHTEL KEKLRSINQG DATA SEQUENCE LDRLRRVSHQ GYSTEAEFEE PRVIDLWDLA QSANLTDKEL EAFREELKHF DATA SEQUENCE EAKIEKHNHY QKQLEIAHEK LRHAESVGDG ERVSRSREKH ALLEGRTKEL DATA SEQUENCE GYTVKKHLQD LSGRISRARH NEL 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 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 1 Y C 0.000 175.901 175.900 0.001 0.000 1.272 1 Y CA 0.000 58.101 58.100 0.001 0.000 1.940 1 Y CB 0.000 38.461 38.460 0.001 0.000 1.050 2 S N 0.825 116.557 115.700 0.054 0.000 2.368 2 S HA -0.156 4.231 4.470 -0.139 0.000 0.225 2 S C 0.190 174.741 174.600 -0.082 0.000 1.030 2 S CA 1.309 59.485 58.200 -0.039 0.000 0.999 2 S CB 0.332 63.572 63.200 0.067 0.000 0.844 2 S HN -0.165 8.289 8.310 0.240 0.000 0.459 3 R N 0.722 121.201 120.500 -0.036 0.000 2.873 3 R HA -0.157 4.173 4.340 -0.016 0.000 0.281 3 R C -0.492 175.791 176.300 -0.029 0.000 0.933 3 R CA 0.278 56.357 56.100 -0.036 0.000 0.712 3 R CB -0.454 29.807 30.300 -0.065 0.000 1.780 3 R HN -0.064 8.208 8.270 0.003 0.000 0.488 4 E N 1.787 121.980 120.200 -0.011 0.000 2.153 4 E HA -0.360 3.983 4.350 -0.011 0.000 0.194 4 E C 1.075 177.668 176.600 -0.012 0.000 0.988 4 E CA 1.657 58.052 56.400 -0.009 0.000 0.811 4 E CB 0.082 29.782 29.700 0.000 0.000 0.746 4 E HN 0.322 8.681 8.360 -0.002 0.000 0.466 5 K N -2.122 118.271 120.400 -0.011 0.000 10.993 5 K HA -0.363 3.952 4.320 -0.009 0.000 0.522 5 K C -1.015 175.580 176.600 -0.008 0.000 0.423 5 K CA 2.112 58.392 56.287 -0.011 0.000 1.865 5 K CB -0.536 31.954 32.500 -0.016 0.000 0.806 5 K HN 0.049 8.274 8.250 -0.010 0.020 1.239 6 N N -2.076 116.619 118.700 -0.009 0.000 2.732 6 N HA 0.096 4.833 4.740 -0.005 0.000 0.259 6 N C -2.372 173.134 175.510 -0.006 0.000 1.402 6 N CA -0.252 52.794 53.050 -0.006 0.000 0.829 6 N CB 2.203 40.686 38.487 -0.007 0.000 1.495 6 N HN 0.126 8.485 8.380 -0.011 0.014 0.511 7 Q N -0.955 118.843 119.800 -0.004 0.000 3.551 7 Q HA 0.187 4.525 4.340 -0.004 0.000 0.188 7 Q C -2.445 173.553 176.000 -0.002 0.000 0.665 7 Q CA -0.903 54.898 55.803 -0.003 0.000 0.956 7 Q CB 0.829 29.566 28.738 -0.002 0.000 1.544 7 Q HN 0.260 8.527 8.270 -0.004 0.000 0.373 8 P HA 0.095 4.514 4.420 -0.002 0.000 0.269 8 P C -1.847 175.452 177.300 -0.002 0.000 1.209 8 P CA 0.096 63.195 63.100 -0.002 0.000 0.776 8 P CB 1.027 32.725 31.700 -0.003 0.000 0.876 9 K N 0.306 120.706 120.400 -0.001 0.000 3.395 9 K HA 0.132 4.452 4.320 -0.000 0.000 0.175 9 K C -2.162 174.438 176.600 -0.000 0.000 1.218 9 K CA -0.809 55.478 56.287 -0.000 0.000 0.720 9 K CB 0.339 32.839 32.500 0.001 0.000 1.015 9 K HN 0.185 8.435 8.250 -0.001 0.000 0.513 10 P HA 0.141 4.561 4.420 -0.000 0.000 0.274 10 P C -0.909 176.391 177.300 0.000 0.000 1.237 10 P CA -0.570 62.529 63.100 -0.000 0.000 0.793 10 P CB 0.476 32.175 31.700 -0.001 0.000 0.977 11 S N 1.795 117.495 115.700 0.000 0.000 2.561 11 S HA -0.086 4.384 4.470 0.001 0.000 0.294 11 S C -1.029 173.572 174.600 0.001 0.000 1.294 11 S CA -0.611 57.590 58.200 0.001 0.000 1.055 11 S CB 0.276 63.476 63.200 0.001 0.000 0.819 11 S HN -0.115 8.195 8.310 0.000 0.000 0.503 12 P HA 0.059 4.480 4.420 0.001 0.000 0.278 12 P C -1.816 175.485 177.300 0.002 0.000 1.238 12 P CA -0.009 63.092 63.100 0.002 0.000 0.794 12 P CB 0.864 32.566 31.700 0.003 0.000 0.955 13 K N -0.344 120.057 120.400 0.001 0.000 2.469 13 K HA 0.120 4.441 4.320 0.002 0.000 0.254 13 K C -0.737 175.864 176.600 0.002 0.000 0.939 13 K CA -0.899 55.388 56.287 0.001 0.000 0.812 13 K CB 1.405 33.905 32.500 -0.001 0.000 1.301 13 K HN -0.008 8.242 8.250 0.001 0.000 0.433 14 R N 1.735 122.237 120.500 0.003 0.000 2.709 14 R HA -0.287 4.056 4.340 0.005 0.000 0.275 14 R C -0.234 176.069 176.300 0.006 0.000 0.947 14 R CA 0.553 56.655 56.100 0.004 0.000 0.784 14 R CB -0.582 29.719 30.300 0.002 0.000 2.000 14 R HN 0.508 8.779 8.270 0.003 0.000 0.517 15 E N -0.079 120.127 120.200 0.008 0.000 2.516 15 E HA -0.132 4.225 4.350 0.010 0.000 0.199 15 E C -0.651 175.959 176.600 0.016 0.000 1.069 15 E CA 0.455 56.862 56.400 0.011 0.000 0.876 15 E CB 0.328 30.034 29.700 0.011 0.000 0.843 15 E HN 0.261 8.626 8.360 0.008 0.000 0.530 16 S N -1.328 114.382 115.700 0.016 0.000 2.596 16 S HA 0.093 4.579 4.470 0.028 0.000 0.270 16 S C -1.233 173.379 174.600 0.019 0.000 1.155 16 S CA -0.758 57.455 58.200 0.022 0.000 0.827 16 S CB 2.564 65.778 63.200 0.023 0.000 1.130 16 S HN -0.749 7.461 8.310 0.012 0.107 0.467 17 G N -0.893 107.922 108.800 0.025 0.000 2.349 17 G HA2 0.054 4.025 3.960 0.018 0.000 0.294 17 G HA3 0.054 4.020 3.960 0.009 0.000 0.294 17 G C -1.948 172.969 174.900 0.028 0.000 1.380 17 G CA 0.001 45.112 45.100 0.019 0.000 0.811 17 G HN -0.188 8.123 8.290 0.035 0.000 0.519 18 E N 0.105 120.316 120.200 0.020 0.000 2.229 18 E HA 0.161 4.545 4.350 0.057 0.000 0.283 18 E C -0.230 176.365 176.600 -0.008 0.000 1.030 18 E CA -0.213 56.205 56.400 0.029 0.000 0.836 18 E CB 0.635 30.352 29.700 0.029 0.000 1.068 18 E HN -0.086 8.280 8.360 0.011 0.000 0.401 19 E N 5.100 125.301 120.200 0.002 0.000 2.038 19 E HA 0.001 4.234 4.350 -0.195 0.000 0.190 19 E C 0.313 176.714 176.600 -0.331 0.000 0.967 19 E CA 0.930 57.229 56.400 -0.168 0.000 0.816 19 E CB 0.856 30.483 29.700 -0.122 0.000 0.784 19 E HN 0.528 9.040 8.360 0.081 -0.103 0.456 20 F N -1.512 118.429 119.950 -0.015 0.000 2.377 20 F HA -0.002 4.492 4.527 -0.055 0.000 0.328 20 F C 0.474 176.266 175.800 -0.014 0.000 1.094 20 F CA -0.071 57.909 58.000 -0.034 0.000 1.093 20 F CB 1.046 40.022 39.000 -0.040 0.000 1.214 20 F HN -0.318 8.548 8.300 0.258 -0.411 0.518 21 R N 0.957 121.560 120.500 0.172 0.000 2.237 21 R HA -0.238 4.257 4.340 0.065 -0.116 0.219 21 R C -0.420 175.938 176.300 0.097 0.000 1.080 21 R CA 1.969 58.127 56.100 0.096 0.000 0.995 21 R CB 0.610 30.951 30.300 0.068 0.000 0.875 21 R HN 0.330 8.720 8.270 0.200 0.000 0.462 22 M N -1.884 117.792 119.600 0.126 0.000 2.383 22 M HA 0.168 4.682 4.480 0.056 0.000 0.325 22 M C 0.120 176.467 176.300 0.080 0.000 1.092 22 M CA -2.966 52.377 55.300 0.073 0.000 0.961 22 M CB 2.020 34.638 32.600 0.030 0.000 1.672 22 M HN -0.671 7.689 8.290 0.195 0.047 0.438 23 E N 6.112 126.346 120.200 0.056 0.000 2.110 23 E HA -0.469 3.931 4.350 0.084 0.000 0.193 23 E C 1.481 178.100 176.600 0.032 0.000 0.988 23 E CA 3.838 60.272 56.400 0.056 0.000 0.804 23 E CB -0.396 29.328 29.700 0.041 0.000 0.745 23 E HN 0.617 9.004 8.360 0.044 0.000 0.458 24 K N -0.039 120.363 120.400 0.003 0.000 2.026 24 K HA -0.201 4.110 4.320 -0.016 0.000 0.208 24 K C 2.187 178.748 176.600 -0.066 0.000 1.048 24 K CA 2.825 59.096 56.287 -0.026 0.000 0.929 24 K CB -0.504 31.974 32.500 -0.036 0.000 0.713 24 K HN -0.036 8.204 8.250 0.005 0.013 0.439 25 L N -1.855 119.299 121.223 -0.115 0.000 2.083 25 L HA -0.345 3.810 4.340 -0.309 0.000 0.209 25 L C 2.276 178.973 176.870 -0.288 0.000 1.083 25 L CA 3.062 57.717 54.840 -0.309 0.000 0.752 25 L CB -0.746 41.037 42.059 -0.460 0.000 0.899 25 L HN -0.106 8.079 8.230 -0.074 0.000 0.433 26 N N -0.737 117.955 118.700 -0.013 0.000 2.120 26 N HA -0.371 4.627 4.740 0.430 0.000 0.188 26 N C 2.503 178.111 175.510 0.163 0.000 1.024 26 N CA 3.595 56.774 53.050 0.217 0.000 0.852 26 N CB -0.261 38.370 38.487 0.241 0.000 1.003 26 N HN -0.286 8.014 8.380 0.026 0.096 0.424 27 Q N 0.370 120.209 119.800 0.065 0.000 2.050 27 Q HA -0.311 4.060 4.340 0.052 0.000 0.202 27 Q C 2.564 178.577 176.000 0.022 0.000 0.980 27 Q CA 3.089 58.915 55.803 0.039 0.000 0.840 27 Q CB 0.055 28.798 28.738 0.009 0.000 0.898 27 Q HN 0.058 8.262 8.270 0.037 0.088 0.424 28 L N -1.045 120.173 121.223 -0.008 0.000 2.046 28 L HA -0.310 4.006 4.340 -0.039 0.000 0.208 28 L C 1.771 178.676 176.870 0.058 0.000 1.077 28 L CA 3.333 58.160 54.840 -0.022 0.000 0.747 28 L CB -1.028 40.983 42.059 -0.080 0.000 0.896 28 L HN -0.354 7.854 8.230 -0.037 0.000 0.432 29 W N -0.534 120.695 121.300 -0.118 0.000 2.338 29 W HA -0.575 4.078 4.660 -0.012 0.000 0.304 29 W C 1.656 178.191 176.519 0.027 0.000 1.212 29 W CA 2.881 60.224 57.345 -0.002 0.000 1.264 29 W CB 0.214 29.780 29.460 0.177 0.000 1.142 29 W HN 0.038 8.243 8.180 0.167 0.075 0.512 30 E N -1.402 118.782 120.200 -0.027 0.000 2.110 30 E HA -0.412 4.034 4.350 -0.268 -0.256 0.193 30 E C 2.613 179.103 176.600 -0.183 0.000 0.988 30 E CA 3.014 59.323 56.400 -0.151 0.000 0.804 30 E CB -0.286 29.399 29.700 -0.026 0.000 0.745 30 E HN -0.262 8.106 8.360 0.140 0.076 0.458 31 K N -1.528 118.798 120.400 -0.123 0.000 2.057 31 K HA -0.269 3.994 4.320 -0.096 0.000 0.207 31 K C 2.369 178.864 176.600 -0.174 0.000 1.049 31 K CA 2.596 58.812 56.287 -0.118 0.000 0.931 31 K CB -0.600 31.848 32.500 -0.088 0.000 0.714 31 K HN -0.349 7.750 8.250 -0.073 0.107 0.440 32 A N -1.099 121.576 122.820 -0.242 0.000 1.930 32 A HA -0.270 3.921 4.320 -0.215 0.000 0.217 32 A C 2.370 179.720 177.584 -0.390 0.000 1.175 32 A CA 2.977 54.834 52.037 -0.299 0.000 0.627 32 A CB -0.992 17.826 19.000 -0.304 0.000 0.815 32 A HN -0.166 7.773 8.150 -0.215 0.082 0.443 33 Q N -1.838 117.635 119.800 -0.544 0.000 2.050 33 Q HA -0.392 3.608 4.340 -0.565 0.000 0.202 33 Q C 2.751 178.636 176.000 -0.191 0.000 0.980 33 Q CA 3.182 58.700 55.803 -0.476 0.000 0.840 33 Q CB 0.030 28.475 28.738 -0.490 0.000 0.898 33 Q HN -0.247 7.555 8.270 -0.620 0.096 0.424 34 R N -2.924 117.501 120.500 -0.125 0.000 2.092 34 R HA -0.223 4.138 4.340 0.035 0.000 0.231 34 R C 2.036 178.350 176.300 0.022 0.000 1.119 34 R CA 2.591 58.679 56.100 -0.019 0.000 0.970 34 R CB -0.286 29.988 30.300 -0.043 0.000 0.864 34 R HN -0.409 7.755 8.270 -0.175 0.000 0.440 35 L N -2.904 118.300 121.223 -0.032 0.000 2.083 35 L HA -0.250 4.093 4.340 0.005 0.000 0.209 35 L C 0.026 176.950 176.870 0.090 0.000 1.083 35 L CA 1.326 56.165 54.840 -0.002 0.000 0.752 35 L CB 0.621 42.650 42.059 -0.051 0.000 0.899 35 L HN -0.506 7.568 8.230 -0.094 0.099 0.433 36 H N -2.708 116.303 119.070 -0.098 0.000 3.897 36 H HA -0.226 4.276 4.556 -0.090 0.000 0.298 36 H C -1.564 173.742 175.328 -0.038 0.000 0.767 36 H CA 0.889 56.894 56.048 -0.072 0.000 0.870 36 H CB -0.871 28.860 29.762 -0.052 0.000 1.357 36 H HN -0.361 7.783 8.280 -0.064 0.097 0.324 37 L N 5.520 126.715 121.223 -0.048 0.000 2.371 37 L HA 0.393 4.765 4.340 0.055 0.000 0.262 37 L C -1.862 175.017 176.870 0.015 0.000 1.006 37 L CA -3.081 51.769 54.840 0.017 0.000 0.818 37 L CB 1.027 43.103 42.059 0.029 0.000 1.354 37 L HN -0.202 7.917 8.230 -0.185 0.000 0.415 38 P HA 0.045 4.491 4.420 0.043 0.000 0.268 38 P C -1.119 176.201 177.300 0.034 0.000 1.189 38 P CA -0.829 62.296 63.100 0.041 0.000 0.771 38 P CB -0.372 31.356 31.700 0.047 0.000 0.822 39 P HA -0.248 4.185 4.420 0.023 0.000 0.215 39 P C 1.282 178.609 177.300 0.046 0.000 1.157 39 P CA 2.640 65.758 63.100 0.030 0.000 0.868 39 P CB -0.063 31.652 31.700 0.024 0.000 0.788 40 V N -2.139 117.802 119.914 0.045 0.000 2.295 40 V HA -0.314 3.834 4.120 0.048 0.000 0.246 40 V C 2.201 178.337 176.094 0.069 0.000 1.049 40 V CA 4.321 66.651 62.300 0.050 0.000 1.024 40 V CB -0.314 31.534 31.823 0.041 0.000 0.648 40 V HN 0.046 8.259 8.190 0.039 0.000 0.447 41 R N -0.110 120.434 120.500 0.074 0.000 2.081 41 R HA -0.211 4.188 4.340 0.098 0.000 0.235 41 R C 2.310 178.690 176.300 0.133 0.000 1.131 41 R CA 2.772 58.931 56.100 0.099 0.000 0.960 41 R CB -0.671 29.687 30.300 0.098 0.000 0.856 41 R HN 0.005 8.313 8.270 0.063 0.000 0.436 42 L N -0.971 120.325 121.223 0.120 0.000 2.046 42 L HA -0.299 4.164 4.340 0.205 0.000 0.208 42 L C 1.416 178.424 176.870 0.230 0.000 1.077 42 L CA 3.410 58.355 54.840 0.174 0.000 0.747 42 L CB -0.289 41.838 42.059 0.113 0.000 0.896 42 L HN 0.274 8.451 8.230 0.088 0.105 0.432 43 A N -1.383 121.527 122.820 0.150 0.000 1.898 43 A HA -0.340 4.060 4.320 0.134 0.000 0.216 43 A C 2.158 179.833 177.584 0.151 0.000 1.181 43 A CA 3.081 55.197 52.037 0.132 0.000 0.620 43 A CB -0.834 18.210 19.000 0.074 0.000 0.819 43 A HN 0.231 8.448 8.150 0.111 0.000 0.442 44 E N -0.866 119.412 120.200 0.129 0.000 2.047 44 E HA -0.252 4.155 4.350 0.096 0.000 0.191 44 E C 2.214 178.899 176.600 0.141 0.000 0.987 44 E CA 2.870 59.339 56.400 0.115 0.000 0.799 44 E CB -0.159 29.597 29.700 0.093 0.000 0.752 44 E HN -0.301 8.130 8.360 0.118 0.000 0.449 45 L N 0.142 121.476 121.223 0.185 0.000 2.017 45 L HA -0.364 4.089 4.340 0.188 0.000 0.208 45 L C 1.146 178.129 176.870 0.189 0.000 1.073 45 L CA 3.440 58.404 54.840 0.207 0.000 0.745 45 L CB -0.332 41.875 42.059 0.247 0.000 0.894 45 L HN 0.474 8.703 8.230 0.188 0.113 0.432 46 H N -0.425 118.738 119.070 0.155 0.000 2.352 46 H HA -0.400 4.177 4.556 0.036 0.000 0.299 46 H C 1.797 177.126 175.328 0.000 0.000 1.097 46 H CA 4.266 60.341 56.048 0.045 0.000 1.311 46 H CB 0.510 30.254 29.762 -0.030 0.000 1.377 46 H HN 0.222 8.616 8.280 0.370 0.109 0.504 47 A N -1.389 121.513 122.820 0.136 0.000 1.883 47 A HA -0.401 3.972 4.320 0.088 0.000 0.217 47 A C 2.021 179.605 177.584 0.000 0.000 1.186 47 A CA 3.282 55.362 52.037 0.072 0.000 0.624 47 A CB -0.961 18.092 19.000 0.088 0.000 0.822 47 A HN -0.032 8.237 8.150 0.205 0.004 0.444 48 D N -0.825 119.587 120.400 0.021 0.000 2.104 48 D HA -0.270 4.379 4.640 0.016 0.000 0.194 48 D C 2.212 178.495 176.300 -0.029 0.000 0.994 48 D CA 2.894 56.902 54.000 0.013 0.000 0.830 48 D CB -0.215 40.614 40.800 0.049 0.000 0.959 48 D HN -0.454 7.950 8.370 0.057 0.000 0.452 49 L N -1.041 120.138 121.223 -0.074 0.000 2.042 49 L HA -0.439 3.845 4.340 -0.093 0.000 0.210 49 L C 1.991 178.785 176.870 -0.128 0.000 1.076 49 L CA 2.820 57.582 54.840 -0.130 0.000 0.749 49 L CB -0.340 41.587 42.059 -0.220 0.000 0.893 49 L HN -0.287 7.905 8.230 -0.062 0.000 0.432 50 K N -0.190 120.116 120.400 -0.156 0.000 2.103 50 K HA -0.321 3.980 4.320 -0.031 0.000 0.207 50 K C 2.444 179.026 176.600 -0.030 0.000 1.048 50 K CA 3.198 59.436 56.287 -0.082 0.000 0.930 50 K CB -0.096 32.350 32.500 -0.089 0.000 0.716 50 K HN -0.339 7.690 8.250 -0.220 0.089 0.444 51 I N -0.466 120.089 120.570 -0.026 0.000 2.226 51 I HA -0.438 3.733 4.170 0.002 0.000 0.245 51 I C 2.150 178.264 176.117 -0.004 0.000 1.100 51 I CA 2.542 63.839 61.300 -0.005 0.000 1.374 51 I CB -1.470 36.532 38.000 0.002 0.000 1.057 51 I HN -0.039 8.047 8.210 -0.035 0.104 0.413 52 Q N -0.924 118.865 119.800 -0.018 0.000 2.096 52 Q HA -0.418 3.915 4.340 -0.012 0.000 0.204 52 Q C 2.587 178.579 176.000 -0.014 0.000 0.982 52 Q CA 3.533 59.323 55.803 -0.021 0.000 0.850 52 Q CB -0.653 28.058 28.738 -0.044 0.000 0.901 52 Q HN -0.168 8.006 8.270 -0.029 0.079 0.422 53 E N 0.357 120.549 120.200 -0.013 0.000 2.051 53 E HA -0.364 3.988 4.350 0.002 0.000 0.192 53 E C 2.278 178.893 176.600 0.026 0.000 0.991 53 E CA 2.902 59.308 56.400 0.010 0.000 0.799 53 E CB -0.162 29.563 29.700 0.041 0.000 0.748 53 E HN -0.420 7.925 8.360 -0.024 0.000 0.449 54 R N -1.173 119.341 120.500 0.023 0.000 2.081 54 R HA -0.363 3.996 4.340 0.031 0.000 0.235 54 R C 2.175 178.501 176.300 0.044 0.000 1.131 54 R CA 3.281 59.398 56.100 0.029 0.000 0.960 54 R CB -0.150 30.162 30.300 0.020 0.000 0.856 54 R HN -0.445 7.833 8.270 0.014 0.000 0.436 55 D N -1.202 119.223 120.400 0.042 0.000 2.144 55 D HA -0.261 4.422 4.640 0.071 0.000 0.199 55 D C 1.861 178.223 176.300 0.103 0.000 0.984 55 D CA 3.358 57.397 54.000 0.065 0.000 0.834 55 D CB -0.172 40.656 40.800 0.047 0.000 0.955 55 D HN 0.086 8.472 8.370 0.028 0.000 0.465 56 E N 0.290 120.533 120.200 0.072 0.000 2.051 56 E HA -0.313 4.092 4.350 0.093 0.000 0.192 56 E C 2.456 179.152 176.600 0.159 0.000 0.991 56 E CA 3.067 59.522 56.400 0.091 0.000 0.799 56 E CB -0.071 29.646 29.700 0.029 0.000 0.748 56 E HN -0.364 7.919 8.360 0.041 0.102 0.449 57 L N -1.352 119.936 121.223 0.108 0.000 2.046 57 L HA -0.369 4.037 4.340 0.109 0.000 0.208 57 L C 2.090 179.025 176.870 0.109 0.000 1.077 57 L CA 2.901 57.801 54.840 0.100 0.000 0.747 57 L CB -0.340 41.756 42.059 0.061 0.000 0.896 57 L HN -0.388 7.814 8.230 0.078 0.075 0.432 58 A N -0.692 122.192 122.820 0.106 0.000 1.877 58 A HA -0.307 4.040 4.320 0.045 0.000 0.216 58 A C 1.566 179.212 177.584 0.104 0.000 1.186 58 A CA 2.986 55.073 52.037 0.083 0.000 0.620 58 A CB -1.014 18.031 19.000 0.076 0.000 0.822 58 A HN -0.104 8.030 8.150 0.099 0.076 0.443 59 W N -0.676 120.623 121.300 -0.001 0.000 2.338 59 W HA -0.491 4.169 4.660 -0.000 0.000 0.304 59 W C 1.555 178.074 176.519 -0.000 0.000 1.212 59 W CA 4.344 61.688 57.345 -0.000 0.000 1.264 59 W CB 0.238 29.698 29.460 -0.001 0.000 1.142 59 W HN 0.132 8.505 8.180 0.321 0.000 0.512 60 K N -0.762 119.828 120.400 0.317 0.000 2.026 60 K HA -0.551 3.840 4.320 0.118 0.000 0.208 60 K C 2.233 178.773 176.600 -0.099 0.000 1.048 60 K CA 3.797 60.166 56.287 0.136 0.000 0.929 60 K CB -0.278 32.349 32.500 0.210 0.000 0.713 60 K HN -0.188 8.309 8.250 0.412 0.000 0.439 61 K N -0.559 119.811 120.400 -0.050 0.000 2.097 61 K HA -0.227 4.056 4.320 -0.062 0.000 0.206 61 K C 2.347 178.860 176.600 -0.144 0.000 1.049 61 K CA 2.476 58.719 56.287 -0.074 0.000 0.933 61 K CB -0.623 31.858 32.500 -0.032 0.000 0.717 61 K HN -0.394 7.865 8.250 0.016 0.000 0.442 62 L N -1.224 119.876 121.223 -0.205 0.000 2.046 62 L HA -0.383 3.860 4.340 -0.163 0.000 0.208 62 L C 2.111 178.784 176.870 -0.328 0.000 1.077 62 L CA 3.386 58.079 54.840 -0.246 0.000 0.747 62 L CB -0.325 41.570 42.059 -0.274 0.000 0.896 62 L HN 0.375 8.418 8.230 -0.183 0.077 0.432 63 K N -0.781 119.302 120.400 -0.529 0.000 2.097 63 K HA -0.289 4.022 4.320 -0.442 -0.256 0.206 63 K C 2.689 179.131 176.600 -0.264 0.000 1.049 63 K CA 2.803 58.790 56.287 -0.500 0.000 0.933 63 K CB -0.069 31.963 32.500 -0.780 0.000 0.717 63 K HN -0.355 7.491 8.250 -0.673 0.000 0.442 64 L N -1.534 119.565 121.223 -0.206 0.000 2.046 64 L HA -0.336 3.946 4.340 -0.098 0.000 0.208 64 L C 1.852 178.663 176.870 -0.098 0.000 1.077 64 L CA 2.722 57.492 54.840 -0.117 0.000 0.747 64 L CB 0.059 42.069 42.059 -0.081 0.000 0.896 64 L HN -0.276 7.711 8.230 -0.235 0.103 0.432 65 D N -2.519 117.817 120.400 -0.106 0.000 2.144 65 D HA -0.127 4.476 4.640 -0.063 0.000 0.200 65 D C 0.677 176.928 176.300 -0.082 0.000 0.978 65 D CA 1.774 55.725 54.000 -0.082 0.000 0.833 65 D CB 0.642 41.394 40.800 -0.079 0.000 0.961 65 D HN -0.113 8.180 8.370 -0.128 0.000 0.470 66 G N -2.656 106.078 108.800 -0.110 0.000 3.026 66 G HA2 -0.355 3.610 3.960 -0.111 0.000 0.252 66 G HA3 -0.355 3.562 3.960 -0.072 0.000 0.252 66 G C -1.313 173.534 174.900 -0.089 0.000 1.070 66 G CA 0.058 45.101 45.100 -0.096 0.000 1.183 66 G HN -0.273 7.831 8.290 -0.145 0.099 0.571 67 L N -1.063 120.090 121.223 -0.117 0.000 2.658 67 L HA 0.175 4.476 4.340 -0.066 0.000 0.201 67 L C -0.211 176.606 176.870 -0.088 0.000 1.050 67 L CA 0.324 55.109 54.840 -0.092 0.000 0.893 67 L CB 1.438 43.441 42.059 -0.093 0.000 1.503 67 L HN -0.443 7.690 8.230 -0.162 0.000 0.485 68 D N -0.942 119.375 120.400 -0.138 0.000 2.472 68 D HA -0.184 4.430 4.640 -0.044 0.000 0.237 68 D C -0.474 175.800 176.300 -0.044 0.000 1.141 68 D CA 0.744 54.687 54.000 -0.094 0.000 0.875 68 D CB 0.608 41.297 40.800 -0.184 0.000 1.192 68 D HN -0.322 7.923 8.370 -0.208 0.000 0.450 69 E N 1.859 122.064 120.200 0.007 0.000 3.027 69 E HA 0.018 4.378 4.350 0.016 0.000 0.221 69 E C 0.656 177.282 176.600 0.044 0.000 1.070 69 E CA 0.731 57.142 56.400 0.019 0.000 1.705 69 E CB 1.146 30.849 29.700 0.005 0.000 1.998 69 E HN 0.275 8.649 8.360 0.024 0.000 0.976 70 D N 0.243 120.670 120.400 0.046 0.000 2.219 70 D HA -0.133 4.532 4.640 0.041 0.000 0.205 70 D C 0.898 177.243 176.300 0.074 0.000 0.970 70 D CA 0.903 54.934 54.000 0.050 0.000 0.851 70 D CB 0.273 41.099 40.800 0.042 0.000 0.943 70 D HN -0.016 8.377 8.370 0.037 0.000 0.488 71 G N 0.140 109.007 108.800 0.112 0.000 2.143 71 G HA2 -0.345 3.770 3.960 0.257 0.000 0.249 71 G HA3 -0.345 3.694 3.960 0.131 0.000 0.249 71 G C 0.785 175.762 174.900 0.128 0.000 0.981 71 G CA 0.236 45.432 45.100 0.160 0.000 0.665 71 G HN -0.146 8.186 8.290 0.110 0.025 0.528 72 E N -0.216 120.046 120.200 0.104 0.000 2.153 72 E HA -0.269 4.114 4.350 0.056 0.000 0.194 72 E C 1.496 178.152 176.600 0.092 0.000 0.988 72 E CA 2.506 58.951 56.400 0.076 0.000 0.811 72 E CB -0.385 29.350 29.700 0.060 0.000 0.746 72 E HN 0.599 8.963 8.360 0.097 0.054 0.466 73 K N -1.665 118.830 120.400 0.160 0.000 2.009 73 K HA -0.292 4.111 4.320 0.138 0.000 0.210 73 K C 2.101 178.767 176.600 0.110 0.000 1.049 73 K CA 3.415 59.821 56.287 0.199 0.000 0.929 73 K CB -0.570 32.156 32.500 0.377 0.000 0.714 73 K HN 0.109 8.455 8.250 0.183 0.015 0.440 74 E N -0.874 119.371 120.200 0.075 0.000 2.077 74 E HA -0.285 3.798 4.350 -0.444 0.000 0.193 74 E C 1.771 178.298 176.600 -0.121 0.000 0.989 74 E CA 2.892 59.159 56.400 -0.222 0.000 0.800 74 E CB -0.316 29.213 29.700 -0.285 0.000 0.746 74 E HN 0.045 8.565 8.360 0.267 0.000 0.452 75 A N -0.821 121.979 122.820 -0.034 0.000 1.933 75 A HA -0.284 4.010 4.320 -0.042 0.000 0.218 75 A C 2.282 179.852 177.584 -0.023 0.000 1.175 75 A CA 3.150 55.172 52.037 -0.025 0.000 0.628 75 A CB -0.840 18.162 19.000 0.003 0.000 0.814 75 A HN -0.134 7.953 8.150 0.012 0.071 0.444 76 R N -1.568 118.928 120.500 -0.006 0.000 2.081 76 R HA -0.322 4.018 4.340 -0.000 0.000 0.235 76 R C 2.621 178.908 176.300 -0.021 0.000 1.131 76 R CA 3.571 59.670 56.100 -0.002 0.000 0.960 76 R CB -0.173 30.139 30.300 0.020 0.000 0.856 76 R HN 0.044 8.126 8.270 0.011 0.195 0.436 77 L N -0.665 120.531 121.223 -0.046 0.000 2.046 77 L HA -0.364 3.950 4.340 -0.043 0.000 0.208 77 L C 2.272 179.099 176.870 -0.071 0.000 1.077 77 L CA 3.233 58.032 54.840 -0.068 0.000 0.747 77 L CB -0.255 41.727 42.059 -0.128 0.000 0.896 77 L HN -0.274 7.846 8.230 -0.051 0.079 0.432 78 I N -1.313 119.208 120.570 -0.082 0.000 2.226 78 I HA -0.615 3.510 4.170 -0.076 0.000 0.245 78 I C 1.805 177.898 176.117 -0.040 0.000 1.100 78 I CA 4.261 65.519 61.300 -0.069 0.000 1.374 78 I CB -0.431 37.526 38.000 -0.071 0.000 1.057 78 I HN 0.250 8.334 8.210 -0.094 0.070 0.413 79 R N -1.010 119.472 120.500 -0.030 0.000 2.091 79 R HA -0.375 3.957 4.340 -0.014 0.000 0.238 79 R C 2.689 178.982 176.300 -0.012 0.000 1.136 79 R CA 3.047 59.137 56.100 -0.016 0.000 0.959 79 R CB -0.848 29.446 30.300 -0.010 0.000 0.856 79 R HN 0.456 8.596 8.270 -0.033 0.111 0.437 80 N N 0.297 118.988 118.700 -0.014 0.000 2.166 80 N HA -0.228 4.511 4.740 -0.002 0.000 0.186 80 N C 2.202 177.709 175.510 -0.004 0.000 1.019 80 N CA 2.826 55.872 53.050 -0.007 0.000 0.856 80 N CB -0.610 37.872 38.487 -0.008 0.000 0.993 80 N HN -0.072 8.212 8.380 -0.020 0.084 0.426 81 L N 1.215 122.428 121.223 -0.016 0.000 2.012 81 L HA -0.329 4.006 4.340 -0.009 0.000 0.210 81 L C 1.539 178.409 176.870 0.000 0.000 1.073 81 L CA 3.482 58.313 54.840 -0.015 0.000 0.748 81 L CB -0.954 41.084 42.059 -0.035 0.000 0.891 81 L HN 0.107 8.233 8.230 -0.028 0.087 0.431 82 N N -0.701 117.996 118.700 -0.005 0.000 2.166 82 N HA -0.299 4.444 4.740 0.005 0.000 0.186 82 N C 2.805 178.322 175.510 0.012 0.000 1.019 82 N CA 3.478 56.529 53.050 0.003 0.000 0.856 82 N CB -0.171 38.313 38.487 -0.004 0.000 0.993 82 N HN -0.354 8.018 8.380 -0.013 0.000 0.426 83 V N 1.539 121.458 119.914 0.008 0.000 2.295 83 V HA -0.526 3.595 4.120 0.002 0.000 0.246 83 V C 1.612 177.719 176.094 0.022 0.000 1.049 83 V CA 4.676 66.981 62.300 0.007 0.000 1.024 83 V CB -0.117 31.706 31.823 0.000 0.000 0.648 83 V HN 0.101 8.217 8.190 0.003 0.076 0.447 84 I N -0.736 119.861 120.570 0.046 0.000 2.179 84 I HA -0.590 3.629 4.170 0.082 0.000 0.242 84 I C 1.855 178.084 176.117 0.187 0.000 1.088 84 I CA 4.344 65.710 61.300 0.109 0.000 1.357 84 I CB -0.404 37.669 38.000 0.122 0.000 1.051 84 I HN 0.307 8.429 8.210 0.034 0.108 0.409 85 L N -1.314 119.983 121.223 0.124 0.000 2.093 85 L HA -0.353 4.096 4.340 0.182 0.000 0.208 85 L C 2.386 179.319 176.870 0.105 0.000 1.085 85 L CA 2.901 57.815 54.840 0.123 0.000 0.755 85 L CB -1.496 40.595 42.059 0.053 0.000 0.904 85 L HN -0.225 8.050 8.230 0.076 0.000 0.435 86 A N -0.550 122.303 122.820 0.056 0.000 1.877 86 A HA -0.368 3.968 4.320 0.027 0.000 0.216 86 A C 2.234 179.826 177.584 0.013 0.000 1.186 86 A CA 3.198 55.252 52.037 0.027 0.000 0.620 86 A CB -0.686 18.318 19.000 0.007 0.000 0.822 86 A HN 0.534 8.528 8.150 0.046 0.183 0.443 87 K N -1.971 118.422 120.400 -0.013 0.000 2.057 87 K HA -0.350 3.920 4.320 -0.083 0.000 0.207 87 K C 2.822 179.348 176.600 -0.124 0.000 1.049 87 K CA 2.578 58.806 56.287 -0.099 0.000 0.931 87 K CB -0.024 32.367 32.500 -0.180 0.000 0.714 87 K HN -0.242 8.009 8.250 0.003 0.000 0.440 88 Y N -2.952 117.346 120.300 -0.003 0.000 2.352 88 Y HA -0.255 4.296 4.550 0.002 0.000 0.292 88 Y C 1.100 176.997 175.900 -0.004 0.000 1.136 88 Y CA 1.614 59.713 58.100 -0.001 0.000 1.227 88 Y CB 0.441 38.902 38.460 0.001 0.000 0.991 88 Y HN -0.438 7.913 8.280 0.119 0.000 0.545 89 G N -2.524 106.355 108.800 0.132 0.000 2.176 89 G HA2 -0.400 3.588 3.960 0.048 0.000 0.252 89 G HA3 -0.400 3.593 3.960 0.056 0.000 0.252 89 G C -0.017 174.926 174.900 0.072 0.000 1.024 89 G CA 0.662 45.806 45.100 0.073 0.000 0.755 89 G HN -0.015 8.114 8.290 0.120 0.234 0.507 90 L N -2.039 119.237 121.223 0.088 0.000 2.628 90 L HA 0.070 4.430 4.340 0.033 0.000 0.229 90 L C 0.586 177.469 176.870 0.022 0.000 1.137 90 L CA -0.493 54.372 54.840 0.043 0.000 0.909 90 L CB 0.256 42.326 42.059 0.018 0.000 1.137 90 L HN -0.662 7.621 8.230 0.128 0.024 0.470 91 D N 1.408 121.825 120.400 0.028 0.000 2.941 91 D HA -0.060 4.585 4.640 0.009 0.000 0.236 91 D C 0.402 176.706 176.300 0.008 0.000 1.147 91 D CA -0.507 53.501 54.000 0.015 0.000 0.975 91 D CB -1.634 39.175 40.800 0.016 0.000 1.162 91 D HN -0.135 8.180 8.370 0.040 0.079 0.444 92 G N -0.569 108.234 108.800 0.005 0.000 2.432 92 G HA2 -0.031 3.930 3.960 0.003 0.000 0.257 92 G HA3 -0.031 3.929 3.960 0.001 0.000 0.257 92 G C -1.563 173.337 174.900 -0.000 0.000 1.238 92 G CA 0.022 45.123 45.100 0.002 0.000 0.838 92 G HN 0.030 8.224 8.290 0.004 0.098 0.547 93 K N 1.238 121.638 120.400 0.000 0.000 2.551 93 K HA 0.289 4.609 4.320 -0.000 0.000 0.269 93 K C -1.682 174.919 176.600 0.002 0.000 0.949 93 K CA -1.037 55.251 56.287 0.001 0.000 0.849 93 K CB 2.281 34.782 32.500 0.002 0.000 1.411 93 K HN 0.019 8.270 8.250 0.001 0.000 0.432 94 K N 1.932 122.334 120.400 0.002 0.000 2.469 94 K HA 0.254 4.576 4.320 0.004 0.000 0.254 94 K C -0.769 175.835 176.600 0.005 0.000 0.939 94 K CA -0.552 55.737 56.287 0.003 0.000 0.812 94 K CB 1.364 33.865 32.500 0.001 0.000 1.301 94 K HN -0.065 8.186 8.250 0.002 0.000 0.433 95 D N 2.507 122.911 120.400 0.007 0.000 2.414 95 D HA 0.030 4.676 4.640 0.011 0.000 0.242 95 D C -0.252 176.052 176.300 0.007 0.000 1.129 95 D CA 0.752 54.758 54.000 0.010 0.000 0.885 95 D CB 0.631 41.438 40.800 0.013 0.000 1.198 95 D HN 0.248 8.622 8.370 0.007 0.000 0.437 96 A N 2.224 125.048 122.820 0.008 0.000 1.480 96 A HA -0.016 4.307 4.320 0.005 0.000 0.207 96 A C -0.625 176.963 177.584 0.006 0.000 1.923 96 A CA 0.217 52.257 52.037 0.006 0.000 1.531 96 A CB 0.571 19.573 19.000 0.004 0.000 1.476 96 A HN 0.274 8.429 8.150 0.009 0.000 0.317 97 R N 1.153 121.657 120.500 0.007 0.000 2.190 97 R HA -0.348 3.996 4.340 0.008 0.000 0.331 97 R C -0.891 175.412 176.300 0.006 0.000 1.136 97 R CA -0.013 56.092 56.100 0.008 0.000 1.036 97 R CB -0.362 29.943 30.300 0.010 0.000 2.930 97 R HN 0.164 8.438 8.270 0.007 0.000 0.501 98 Q N 2.553 122.356 119.800 0.005 0.000 2.624 98 Q HA -0.148 4.194 4.340 0.003 0.000 0.256 98 Q C 0.706 176.708 176.000 0.004 0.000 1.119 98 Q CA 0.444 56.249 55.803 0.003 0.000 0.995 98 Q CB 0.568 29.308 28.738 0.003 0.000 1.318 98 Q HN 0.089 8.361 8.270 0.004 0.000 0.534 99 V N 0.232 120.148 119.914 0.003 0.000 2.295 99 V HA -0.302 3.820 4.120 0.003 0.000 0.246 99 V C 0.833 176.928 176.094 0.003 0.000 1.049 99 V CA 1.634 63.936 62.300 0.003 0.000 1.024 99 V CB 0.044 31.868 31.823 0.002 0.000 0.648 99 V HN 0.338 8.530 8.190 0.002 0.000 0.447 100 T N -0.654 113.902 114.554 0.003 0.000 2.849 100 T HA -0.028 4.324 4.350 0.003 0.000 0.284 100 T C -1.248 173.454 174.700 0.004 0.000 1.004 100 T CA 0.062 62.164 62.100 0.003 0.000 1.021 100 T CB 1.191 70.060 68.868 0.003 0.000 1.013 100 T HN -0.336 7.906 8.240 0.003 0.000 0.527 101 S N 0.364 116.066 115.700 0.004 0.000 2.565 101 S HA 0.261 4.734 4.470 0.004 0.000 0.269 101 S C -0.333 174.270 174.600 0.004 0.000 1.153 101 S CA -0.610 57.593 58.200 0.004 0.000 0.835 101 S CB 1.650 64.853 63.200 0.005 0.000 1.122 101 S HN -0.154 8.158 8.310 0.003 0.000 0.462 102 N N 1.341 120.044 118.700 0.004 0.000 2.120 102 N HA -0.114 4.629 4.740 0.004 0.000 0.188 102 N C 0.598 176.111 175.510 0.004 0.000 1.024 102 N CA 1.227 54.280 53.050 0.004 0.000 0.852 102 N CB 0.151 38.640 38.487 0.004 0.000 1.003 102 N HN 0.264 8.647 8.380 0.005 0.000 0.424 103 S N -2.632 113.071 115.700 0.005 0.000 3.350 103 S HA -0.384 4.089 4.470 0.006 0.000 0.341 103 S C 0.049 174.651 174.600 0.004 0.000 1.176 103 S CA 1.115 59.318 58.200 0.005 0.000 0.972 103 S CB -0.793 62.409 63.200 0.004 0.000 0.953 103 S HN -0.395 7.919 8.310 0.006 0.000 0.565 104 L N 1.817 123.042 121.223 0.004 0.000 2.004 104 L HA -0.110 4.232 4.340 0.004 0.000 0.205 104 L C 0.147 177.019 176.870 0.004 0.000 1.089 104 L CA 1.424 56.267 54.840 0.004 0.000 0.756 104 L CB -0.359 41.702 42.059 0.004 0.000 0.900 104 L HN -0.038 8.130 8.230 0.005 0.064 0.440 105 S N -2.845 112.858 115.700 0.004 0.000 3.400 105 S HA -0.146 4.327 4.470 0.004 0.000 0.854 105 S C -0.867 173.735 174.600 0.003 0.000 1.167 105 S CA 0.439 58.641 58.200 0.004 0.000 0.985 105 S CB 0.028 63.230 63.200 0.004 0.000 0.666 105 S HN -0.245 8.068 8.310 0.005 0.000 0.276 106 G N 1.732 110.534 108.800 0.002 0.000 3.541 106 G HA2 0.110 4.070 3.960 0.001 0.000 0.236 106 G HA3 0.110 4.071 3.960 0.003 0.000 0.236 106 G C -0.959 173.942 174.900 0.002 0.000 3.926 106 G CA 0.036 45.137 45.100 0.002 0.000 0.465 106 G HN 0.580 8.872 8.290 0.003 0.000 0.274 107 T N -0.838 113.716 114.554 0.001 0.000 2.654 107 T HA 0.352 4.703 4.350 0.002 0.000 0.289 107 T C -0.719 173.980 174.700 -0.003 0.000 1.062 107 T CA -0.871 61.230 62.100 0.000 0.000 1.041 107 T CB 1.190 70.059 68.868 0.002 0.000 1.417 107 T HN -0.038 8.201 8.240 -0.001 0.000 0.510 108 Q N 1.295 121.093 119.800 -0.003 0.000 2.330 108 Q HA 0.009 4.345 4.340 -0.007 0.000 0.279 108 Q C -1.590 174.403 176.000 -0.012 0.000 1.024 108 Q CA 0.437 56.236 55.803 -0.006 0.000 0.900 108 Q CB 0.728 29.462 28.738 -0.005 0.000 1.221 108 Q HN -0.012 8.257 8.270 -0.001 0.000 0.396 109 E N 3.662 123.852 120.200 -0.017 0.000 2.229 109 E HA 0.043 4.378 4.350 -0.025 0.000 0.283 109 E C -0.944 175.635 176.600 -0.036 0.000 1.030 109 E CA 0.169 56.553 56.400 -0.026 0.000 0.836 109 E CB 0.630 30.313 29.700 -0.028 0.000 1.068 109 E HN 0.316 8.666 8.360 -0.015 0.000 0.401 110 D N 1.601 121.974 120.400 -0.046 0.000 2.602 110 D HA 0.211 4.813 4.640 -0.062 0.000 0.236 110 D C -0.705 175.540 176.300 -0.093 0.000 1.209 110 D CA -0.102 53.864 54.000 -0.058 0.000 0.831 110 D CB 2.515 43.294 40.800 -0.034 0.000 1.478 110 D HN 0.073 8.417 8.370 -0.043 0.000 0.438 111 G N 0.056 108.780 108.800 -0.126 0.000 4.314 111 G HA2 0.017 3.877 3.960 -0.167 0.000 0.166 111 G HA3 0.017 3.778 3.960 -0.331 0.000 0.166 111 G C -1.416 173.356 174.900 -0.213 0.000 1.213 111 G CA 0.496 45.465 45.100 -0.218 0.000 1.027 111 G HN 0.188 8.415 8.290 -0.105 0.000 0.352 112 L N 1.826 122.906 121.223 -0.239 0.000 2.341 112 L HA 0.297 4.583 4.340 -0.090 0.000 0.278 112 L C -1.311 175.510 176.870 -0.082 0.000 1.005 112 L CA -0.686 54.059 54.840 -0.158 0.000 0.818 112 L CB 1.098 43.024 42.059 -0.222 0.000 1.259 112 L HN -0.297 7.782 8.230 -0.251 0.000 0.418 113 D N 0.231 120.609 120.400 -0.037 0.000 2.602 113 D HA 0.135 4.755 4.640 -0.034 0.000 0.284 113 D C -0.804 175.488 176.300 -0.014 0.000 1.065 113 D CA 0.275 54.260 54.000 -0.025 0.000 0.923 113 D CB 1.614 42.406 40.800 -0.013 0.000 1.373 113 D HN 0.291 8.651 8.370 -0.017 0.000 0.492 114 D N 2.048 122.449 120.400 0.002 0.000 2.317 114 D HA 0.358 5.002 4.640 0.006 0.000 0.252 114 D C -0.897 175.406 176.300 0.006 0.000 1.174 114 D CA -1.566 52.440 54.000 0.010 0.000 0.866 114 D CB 0.297 41.113 40.800 0.027 0.000 1.127 114 D HN -0.408 7.967 8.370 0.008 0.000 0.467 115 P HA -0.221 4.167 4.420 -0.053 0.000 0.216 115 P C 0.676 177.976 177.300 0.000 0.000 1.150 115 P CA 2.365 65.451 63.100 -0.023 0.000 0.843 115 P CB 0.316 32.005 31.700 -0.019 0.000 0.787 116 R N -3.136 117.382 120.500 0.030 0.000 2.081 116 R HA -0.232 4.140 4.340 0.054 0.000 0.235 116 R C 1.988 178.348 176.300 0.100 0.000 1.131 116 R CA 2.826 58.962 56.100 0.060 0.000 0.960 116 R CB -1.435 28.905 30.300 0.067 0.000 0.856 116 R HN 0.454 8.724 8.270 0.027 0.016 0.436 117 L N -0.687 120.598 121.223 0.103 0.000 2.083 117 L HA -0.349 4.098 4.340 0.178 0.000 0.209 117 L C 2.257 179.268 176.870 0.234 0.000 1.083 117 L CA 2.709 57.649 54.840 0.166 0.000 0.752 117 L CB -0.582 41.561 42.059 0.140 0.000 0.899 117 L HN -0.471 7.718 8.230 0.073 0.085 0.433 118 E N -0.826 119.441 120.200 0.112 0.000 2.153 118 E HA -0.353 4.150 4.350 0.256 0.000 0.194 118 E C 2.667 179.311 176.600 0.074 0.000 0.988 118 E CA 3.118 59.551 56.400 0.054 0.000 0.811 118 E CB -0.435 29.119 29.700 -0.244 0.000 0.746 118 E HN -0.334 7.977 8.360 0.052 0.080 0.466 119 K N -0.408 120.028 120.400 0.060 0.000 2.002 119 K HA -0.308 4.018 4.320 0.011 0.000 0.209 119 K C 2.334 179.024 176.600 0.150 0.000 1.048 119 K CA 3.562 59.891 56.287 0.070 0.000 0.930 119 K CB -0.116 32.421 32.500 0.063 0.000 0.714 119 K HN -0.545 7.609 8.250 0.057 0.130 0.438 120 L N -1.434 119.916 121.223 0.213 0.000 2.056 120 L HA -0.328 4.086 4.340 0.124 0.000 0.207 120 L C 1.861 178.854 176.870 0.206 0.000 1.078 120 L CA 2.823 57.798 54.840 0.224 0.000 0.749 120 L CB -0.249 42.033 42.059 0.371 0.000 0.901 120 L HN -0.741 7.624 8.230 0.225 0.000 0.433 121 W N -0.433 120.924 121.300 0.094 0.000 2.354 121 W HA -0.443 4.042 4.660 -0.292 0.000 0.315 121 W C 1.767 178.230 176.519 -0.092 0.000 1.206 121 W CA 4.261 61.525 57.345 -0.135 0.000 1.290 121 W CB -0.209 29.103 29.460 -0.247 0.000 1.152 121 W HN 0.131 8.610 8.180 0.497 0.000 0.489 122 H N -2.354 116.871 119.070 0.259 0.000 2.395 122 H HA -0.349 4.329 4.556 0.204 0.000 0.299 122 H C 2.501 177.823 175.328 -0.009 0.000 1.070 122 H CA 3.621 59.759 56.048 0.150 0.000 1.356 122 H CB -0.013 29.828 29.762 0.131 0.000 1.401 122 H HN -0.100 8.584 8.280 0.852 0.107 0.524 123 K N 0.038 120.497 120.400 0.099 0.000 2.009 123 K HA -0.344 3.969 4.320 -0.012 0.000 0.210 123 K C 1.952 178.447 176.600 -0.177 0.000 1.049 123 K CA 2.928 59.190 56.287 -0.042 0.000 0.929 123 K CB -0.452 32.005 32.500 -0.072 0.000 0.714 123 K HN 0.052 8.298 8.250 0.166 0.104 0.440 124 A N -1.449 121.156 122.820 -0.358 0.000 1.872 124 A HA -0.195 3.701 4.320 -0.706 0.000 0.214 124 A C 1.642 179.058 177.584 -0.280 0.000 1.187 124 A CA 3.018 54.591 52.037 -0.774 0.000 0.614 124 A CB -0.539 17.429 19.000 -1.721 0.000 0.826 124 A HN -0.247 7.724 8.150 -0.299 0.000 0.442 125 K N -1.822 118.441 120.400 -0.228 0.000 2.173 125 K HA -0.352 4.126 4.320 -0.053 -0.190 0.207 125 K C 1.844 178.445 176.600 0.002 0.000 1.046 125 K CA 3.030 59.247 56.287 -0.117 0.000 0.929 125 K CB 0.051 32.405 32.500 -0.243 0.000 0.720 125 K HN -0.225 7.812 8.250 -0.356 0.000 0.453 126 T N -2.817 111.742 114.554 0.009 0.000 3.038 126 T HA -0.009 4.371 4.350 0.050 0.000 0.244 126 T C 1.221 175.967 174.700 0.078 0.000 1.016 126 T CA 2.184 64.312 62.100 0.046 0.000 1.098 126 T CB 0.841 69.736 68.868 0.045 0.000 0.954 126 T HN -0.389 7.809 8.240 -0.027 0.025 0.469 127 S N 0.805 116.541 115.700 0.060 0.000 2.440 127 S HA -0.298 4.186 4.470 0.024 0.000 0.240 127 S C 0.905 175.700 174.600 0.325 0.000 1.014 127 S CA 3.086 61.341 58.200 0.092 0.000 0.980 127 S CB 0.096 63.251 63.200 -0.075 0.000 0.775 127 S HN 0.288 8.420 8.310 -0.004 0.176 0.499 128 G N 0.441 109.456 108.800 0.358 0.000 3.246 128 G HA2 0.120 4.218 3.960 0.231 0.000 0.160 128 G HA3 0.120 4.283 3.960 0.338 0.000 0.160 128 G C -2.133 172.865 174.900 0.162 0.000 1.458 128 G CA 0.671 45.949 45.100 0.296 0.000 1.139 128 G HN -0.336 8.090 8.290 0.297 0.043 0.750 129 K N -0.351 120.136 120.400 0.146 0.000 2.817 129 K HA 0.228 4.570 4.320 0.036 0.000 0.183 129 K C -0.338 176.243 176.600 -0.032 0.000 1.145 129 K CA -0.799 55.500 56.287 0.019 0.000 1.114 129 K CB 0.641 33.104 32.500 -0.061 0.000 0.767 129 K HN -0.028 8.362 8.250 0.233 0.000 0.453 130 F N 3.270 123.140 119.950 -0.134 0.000 2.366 130 F HA -0.305 4.113 4.527 -0.181 0.000 0.369 130 F C -0.203 175.435 175.800 -0.270 0.000 1.172 130 F CA 0.712 58.591 58.000 -0.202 0.000 1.295 130 F CB -2.615 36.250 39.000 -0.225 0.000 1.761 130 F HN -0.361 8.236 8.300 0.496 0.000 0.688 131 S N 1.862 117.483 115.700 -0.131 0.000 2.576 131 S HA 0.037 4.438 4.470 -0.115 0.000 0.276 131 S C 1.514 176.011 174.600 -0.172 0.000 1.339 131 S CA -0.958 57.163 58.200 -0.131 0.000 1.039 131 S CB 1.037 64.177 63.200 -0.100 0.000 0.902 131 S HN 0.701 8.849 8.310 -0.160 0.066 0.516 132 G N 2.209 110.919 108.800 -0.150 0.000 2.697 132 G HA2 -0.353 3.442 3.960 -0.275 0.000 0.223 132 G HA3 -0.353 3.580 3.960 -0.045 0.000 0.223 132 G C 0.852 175.686 174.900 -0.110 0.000 1.083 132 G CA 1.947 46.962 45.100 -0.142 0.000 0.722 132 G HN 0.665 8.890 8.290 -0.108 0.000 0.604 133 E N 0.600 120.740 120.200 -0.099 0.000 2.046 133 E HA -0.340 3.983 4.350 -0.044 0.000 0.190 133 E C 1.990 178.531 176.600 -0.098 0.000 0.982 133 E CA 3.193 59.547 56.400 -0.076 0.000 0.800 133 E CB -0.342 29.313 29.700 -0.074 0.000 0.756 133 E HN -0.062 8.150 8.360 -0.105 0.085 0.449 134 E N -0.485 119.618 120.200 -0.161 0.000 2.076 134 E HA -0.166 4.086 4.350 -0.163 0.000 0.190 134 E C 2.535 179.066 176.600 -0.115 0.000 0.979 134 E CA 2.230 58.509 56.400 -0.202 0.000 0.807 134 E CB -0.163 29.285 29.700 -0.421 0.000 0.761 134 E HN 0.395 8.555 8.360 -0.177 0.094 0.454 135 L N -0.346 120.757 121.223 -0.200 0.000 2.083 135 L HA -0.371 3.863 4.340 -0.178 0.000 0.209 135 L C 1.916 178.671 176.870 -0.192 0.000 1.083 135 L CA 3.110 57.721 54.840 -0.381 0.000 0.752 135 L CB -0.203 41.196 42.059 -1.099 0.000 0.899 135 L HN 0.375 8.338 8.230 -0.246 0.119 0.433 136 D N -0.760 119.582 120.400 -0.097 0.000 2.117 136 D HA -0.281 4.458 4.640 0.166 0.000 0.197 136 D C 2.403 178.807 176.300 0.174 0.000 0.987 136 D CA 3.457 57.508 54.000 0.085 0.000 0.829 136 D CB -0.639 40.197 40.800 0.059 0.000 0.961 136 D HN -0.099 7.977 8.370 -0.139 0.210 0.460 137 K N 0.007 120.470 120.400 0.105 0.000 2.032 137 K HA -0.304 4.081 4.320 0.109 0.000 0.209 137 K C 2.614 179.339 176.600 0.209 0.000 1.048 137 K CA 3.149 59.507 56.287 0.119 0.000 0.927 137 K CB -0.068 32.466 32.500 0.057 0.000 0.712 137 K HN -0.701 7.492 8.250 0.037 0.079 0.441 138 L N -0.751 120.656 121.223 0.305 0.000 2.046 138 L HA -0.222 4.590 4.340 0.362 -0.254 0.208 138 L C 2.555 179.859 176.870 0.724 0.000 1.077 138 L CA 3.162 58.305 54.840 0.505 0.000 0.747 138 L CB -0.743 41.702 42.059 0.644 0.000 0.896 138 L HN -0.168 8.205 8.230 0.237 0.000 0.432 139 W N -1.491 119.949 121.300 0.233 0.000 2.402 139 W HA -0.432 4.445 4.660 0.361 0.000 0.286 139 W C 2.017 178.584 176.519 0.080 0.000 1.221 139 W CA 2.025 59.503 57.345 0.223 0.000 1.257 139 W CB -0.103 29.464 29.460 0.179 0.000 1.120 139 W HN 0.410 8.827 8.180 0.724 0.197 0.551 140 R N -2.188 118.392 120.500 0.132 0.000 2.083 140 R HA -0.377 3.799 4.340 -0.273 0.000 0.237 140 R C 2.437 178.249 176.300 -0.813 0.000 1.137 140 R CA 3.075 59.014 56.100 -0.269 0.000 0.951 140 R CB -0.911 29.348 30.300 -0.067 0.000 0.851 140 R HN 0.242 8.430 8.270 0.237 0.223 0.434 141 E N -1.328 118.725 120.200 -0.245 0.000 2.152 141 E HA -0.155 4.192 4.350 -0.005 0.000 0.192 141 E C 2.416 178.993 176.600 -0.039 0.000 0.983 141 E CA 2.209 58.562 56.400 -0.078 0.000 0.818 141 E CB -0.658 29.088 29.700 0.078 0.000 0.758 141 E HN -0.638 7.715 8.360 -0.012 0.000 0.467 142 F N 1.061 120.891 119.950 -0.199 0.000 2.046 142 F HA -0.407 3.986 4.527 -0.222 0.000 0.297 142 F C 2.156 177.819 175.800 -0.228 0.000 1.123 142 F CA 4.479 62.285 58.000 -0.323 0.000 1.199 142 F CB 0.118 38.603 39.000 -0.860 0.000 0.972 142 F HN -0.146 8.139 8.300 0.116 0.085 0.474 143 L N -3.400 117.787 121.223 -0.061 0.000 2.083 143 L HA -0.565 3.759 4.340 -0.026 0.000 0.209 143 L C 1.950 178.874 176.870 0.090 0.000 1.083 143 L CA 3.257 58.083 54.840 -0.022 0.000 0.752 143 L CB -0.926 41.119 42.059 -0.023 0.000 0.899 143 L HN -0.022 8.131 8.230 -0.128 0.000 0.433 144 H N -0.717 118.378 119.070 0.041 0.000 2.353 144 H HA -0.485 4.066 4.556 -0.010 0.000 0.298 144 H C 2.746 178.052 175.328 -0.036 0.000 1.103 144 H CA 3.335 59.382 56.048 -0.002 0.000 1.293 144 H CB -0.133 29.622 29.762 -0.011 0.000 1.372 144 H HN -0.439 7.664 8.280 -0.170 0.076 0.501 145 H N -1.042 118.084 119.070 0.093 0.000 2.357 145 H HA -0.244 4.353 4.556 0.068 0.000 0.301 145 H C 2.388 177.740 175.328 0.039 0.000 1.082 145 H CA 4.196 60.268 56.048 0.040 0.000 1.342 145 H CB 0.170 29.905 29.762 -0.044 0.000 1.389 145 H HN -0.101 8.245 8.280 0.259 0.089 0.511 146 K N -1.407 119.065 120.400 0.120 0.000 2.057 146 K HA -0.319 4.015 4.320 0.024 0.000 0.207 146 K C 2.674 179.250 176.600 -0.040 0.000 1.049 146 K CA 2.981 59.269 56.287 0.001 0.000 0.931 146 K CB -0.655 31.798 32.500 -0.078 0.000 0.714 146 K HN -0.404 7.835 8.250 0.124 0.086 0.440 147 E N -1.009 119.192 120.200 0.002 0.000 2.047 147 E HA -0.243 4.097 4.350 -0.017 0.000 0.191 147 E C 2.519 179.139 176.600 0.032 0.000 0.987 147 E CA 2.705 59.110 56.400 0.009 0.000 0.799 147 E CB -0.460 29.254 29.700 0.023 0.000 0.752 147 E HN 0.324 8.706 8.360 0.038 0.000 0.449 148 K N -0.080 120.336 120.400 0.028 0.000 2.057 148 K HA -0.270 3.996 4.320 -0.091 0.000 0.207 148 K C 2.624 179.311 176.600 0.145 0.000 1.049 148 K CA 3.254 59.552 56.287 0.019 0.000 0.931 148 K CB 0.040 32.565 32.500 0.041 0.000 0.714 148 K HN -0.225 8.044 8.250 0.031 0.000 0.440 149 V N 0.147 120.188 119.914 0.211 0.000 2.295 149 V HA -0.591 3.746 4.120 0.362 0.000 0.246 149 V C 1.619 177.880 176.094 0.279 0.000 1.049 149 V CA 4.720 67.191 62.300 0.284 0.000 1.024 149 V CB -0.131 31.844 31.823 0.253 0.000 0.648 149 V HN 0.191 8.477 8.190 0.161 0.000 0.447 150 H N -0.023 119.083 119.070 0.060 0.000 2.387 150 H HA -0.390 4.191 4.556 0.043 0.000 0.299 150 H C 2.771 178.092 175.328 -0.011 0.000 1.090 150 H CA 3.597 59.662 56.048 0.029 0.000 1.332 150 H CB 0.055 29.827 29.762 0.017 0.000 1.386 150 H HN -0.251 8.221 8.280 0.319 0.000 0.516 151 E N -0.471 119.751 120.200 0.037 0.000 2.047 151 E HA -0.313 3.988 4.350 -0.081 0.000 0.191 151 E C 2.578 179.080 176.600 -0.164 0.000 0.987 151 E CA 3.090 59.410 56.400 -0.133 0.000 0.799 151 E CB -0.577 28.945 29.700 -0.297 0.000 0.752 151 E HN -0.166 8.131 8.360 0.055 0.096 0.449 152 Y N -0.445 119.868 120.300 0.022 0.000 2.200 152 Y HA -0.351 4.198 4.550 -0.002 0.000 0.290 152 Y C 2.576 178.474 175.900 -0.004 0.000 1.137 152 Y CA 3.595 61.699 58.100 0.007 0.000 1.163 152 Y CB -0.543 37.925 38.460 0.013 0.000 0.988 152 Y HN -0.104 8.133 8.280 -0.072 0.000 0.518 153 N N -0.316 118.471 118.700 0.145 0.000 2.135 153 N HA -0.376 4.399 4.740 0.060 0.000 0.186 153 N C 1.918 177.417 175.510 -0.019 0.000 1.027 153 N CA 3.343 56.420 53.050 0.045 0.000 0.849 153 N CB 0.235 38.721 38.487 -0.003 0.000 1.002 153 N HN 0.370 8.743 8.380 0.172 0.111 0.425 154 V N 1.154 121.036 119.914 -0.054 0.000 2.295 154 V HA -0.441 3.625 4.120 -0.090 0.000 0.246 154 V C 1.498 177.571 176.094 -0.036 0.000 1.049 154 V CA 4.473 66.732 62.300 -0.069 0.000 1.024 154 V CB -0.247 31.534 31.823 -0.070 0.000 0.648 154 V HN 0.550 8.581 8.190 -0.044 0.132 0.447 155 L N -1.920 119.289 121.223 -0.025 0.000 2.046 155 L HA -0.412 3.912 4.340 -0.027 0.000 0.208 155 L C 2.223 179.094 176.870 0.002 0.000 1.077 155 L CA 3.230 58.060 54.840 -0.017 0.000 0.747 155 L CB -0.554 41.491 42.059 -0.023 0.000 0.896 155 L HN -0.109 7.994 8.230 -0.027 0.110 0.432 156 L N -1.570 119.668 121.223 0.026 0.000 2.046 156 L HA -0.471 3.884 4.340 0.025 0.000 0.208 156 L C 2.568 179.441 176.870 0.005 0.000 1.077 156 L CA 3.261 58.116 54.840 0.026 0.000 0.747 156 L CB -0.429 41.657 42.059 0.045 0.000 0.896 156 L HN -0.074 8.077 8.230 0.043 0.105 0.432 157 E N -2.524 117.672 120.200 -0.007 0.000 2.204 157 E HA -0.223 4.120 4.350 -0.012 0.000 0.194 157 E C 2.890 179.479 176.600 -0.019 0.000 0.989 157 E CA 2.449 58.840 56.400 -0.017 0.000 0.824 157 E CB -0.731 28.951 29.700 -0.031 0.000 0.756 157 E HN 0.240 8.485 8.360 -0.008 0.110 0.477 158 T N 1.613 116.155 114.554 -0.020 0.000 2.737 158 T HA -0.238 4.098 4.350 -0.024 0.000 0.265 158 T C 1.804 176.492 174.700 -0.021 0.000 1.038 158 T CA 4.503 66.590 62.100 -0.022 0.000 1.144 158 T CB 0.174 69.028 68.868 -0.024 0.000 0.866 158 T HN -0.040 8.051 8.240 -0.019 0.137 0.434 159 L N -3.155 118.058 121.223 -0.017 0.000 2.313 159 L HA 0.243 4.570 4.340 -0.022 0.000 0.214 159 L C 1.489 178.349 176.870 -0.016 0.000 1.119 159 L CA 1.823 56.652 54.840 -0.018 0.000 0.809 159 L CB -0.875 41.174 42.059 -0.016 0.000 0.933 159 L HN -0.282 7.940 8.230 -0.013 0.000 0.449 160 S N -0.206 115.487 115.700 -0.012 0.000 2.399 160 S HA -0.388 4.079 4.470 -0.005 0.000 0.231 160 S C 2.353 176.944 174.600 -0.016 0.000 1.022 160 S CA 2.884 61.078 58.200 -0.009 0.000 0.983 160 S CB -0.435 62.761 63.200 -0.006 0.000 0.803 160 S HN 0.188 8.361 8.310 -0.011 0.130 0.480 161 R N 0.041 120.529 120.500 -0.021 0.000 2.081 161 R HA -0.219 4.107 4.340 -0.023 0.000 0.235 161 R C 2.081 178.359 176.300 -0.037 0.000 1.131 161 R CA 2.792 58.876 56.100 -0.027 0.000 0.960 161 R CB 0.008 30.292 30.300 -0.027 0.000 0.856 161 R HN -0.680 7.562 8.270 -0.020 0.016 0.436 162 T N -2.728 111.804 114.554 -0.038 0.000 3.609 162 T HA -0.034 4.277 4.350 -0.065 0.000 0.245 162 T C -0.660 174.015 174.700 -0.042 0.000 0.980 162 T CA 1.707 63.778 62.100 -0.048 0.000 0.940 162 T CB -1.625 67.218 68.868 -0.042 0.000 1.105 162 T HN -0.504 7.632 8.240 -0.031 0.086 0.627 163 E N 0.681 120.859 120.200 -0.036 0.000 2.441 163 E HA 0.159 4.495 4.350 -0.023 0.000 0.207 163 E C -0.086 176.499 176.600 -0.025 0.000 0.803 163 E CA 1.047 57.432 56.400 -0.024 0.000 1.240 163 E CB 1.731 31.424 29.700 -0.012 0.000 1.233 163 E HN -0.085 8.111 8.360 -0.037 0.141 0.590 164 E N -0.163 120.020 120.200 -0.028 0.000 2.359 164 E HA 0.031 4.376 4.350 -0.009 0.000 0.187 164 E C -0.726 175.850 176.600 -0.040 0.000 1.081 164 E CA -1.135 55.253 56.400 -0.020 0.000 0.929 164 E CB -0.048 29.645 29.700 -0.012 0.000 1.086 164 E HN -0.797 7.545 8.360 -0.030 0.000 0.462 165 I N 0.035 120.553 120.570 -0.085 0.000 2.752 165 I HA -0.295 3.725 4.170 -0.250 0.000 0.286 165 I C -0.501 175.537 176.117 -0.132 0.000 1.180 165 I CA 1.126 62.301 61.300 -0.208 0.000 1.404 165 I CB 0.056 37.902 38.000 -0.257 0.000 1.389 165 I HN -0.227 7.817 8.210 -0.073 0.122 0.549 166 H N 1.196 120.266 119.070 0.001 0.000 2.884 166 H HA -0.325 4.232 4.556 0.001 0.000 0.289 166 H C -1.438 173.890 175.328 0.001 0.000 1.142 166 H CA 0.502 56.551 56.048 0.001 0.000 1.158 166 H CB -1.820 27.943 29.762 0.001 0.000 1.325 166 H HN 0.359 8.554 8.280 -0.142 0.000 0.366 167 E N -1.635 118.618 120.200 0.088 0.000 2.708 167 E HA -0.380 3.988 4.350 0.031 0.000 0.150 167 E C -1.893 174.739 176.600 0.053 0.000 1.853 167 E CA 1.286 57.718 56.400 0.053 0.000 0.643 167 E CB -0.871 28.858 29.700 0.048 0.000 1.078 167 E HN 0.018 8.260 8.360 0.052 0.148 0.345 168 N N 1.712 120.435 118.700 0.040 0.000 2.616 168 N HA 0.126 4.885 4.740 0.032 0.000 0.281 168 N C -2.090 173.433 175.510 0.022 0.000 1.145 168 N CA -0.475 52.596 53.050 0.036 0.000 0.919 168 N CB 2.051 40.570 38.487 0.052 0.000 1.509 168 N HN -0.070 8.327 8.380 0.027 0.000 0.537 169 V N -2.051 117.874 119.914 0.018 0.000 2.791 169 V HA 0.394 4.522 4.120 0.014 0.000 0.258 169 V C -1.619 174.484 176.094 0.014 0.000 0.875 169 V CA 0.255 62.564 62.300 0.015 0.000 0.922 169 V CB -0.061 31.770 31.823 0.012 0.000 1.034 169 V HN -0.312 7.889 8.190 0.019 0.000 0.492 170 I N 3.708 124.287 120.570 0.015 0.000 2.739 170 I HA 0.271 4.449 4.170 0.013 0.000 0.288 170 I C -1.909 174.215 176.117 0.013 0.000 1.582 170 I CA 0.523 61.831 61.300 0.013 0.000 1.035 170 I CB 1.535 39.542 38.000 0.011 0.000 1.432 170 I HN -0.184 8.036 8.210 0.016 0.000 0.444 171 S N 7.464 123.172 115.700 0.012 0.000 2.565 171 S HA 0.356 4.832 4.470 0.011 0.000 0.269 171 S C -2.471 172.135 174.600 0.011 0.000 1.153 171 S CA -0.765 57.442 58.200 0.012 0.000 0.835 171 S CB 1.449 64.657 63.200 0.013 0.000 1.122 171 S HN 0.195 8.512 8.310 0.012 0.000 0.462 172 P HA -0.032 4.393 4.420 0.007 0.000 0.232 172 P C -1.718 175.588 177.300 0.009 0.000 1.606 172 P CA 0.300 63.405 63.100 0.008 0.000 1.105 172 P CB -0.912 30.793 31.700 0.007 0.000 1.919 173 S N 1.518 117.224 115.700 0.011 0.000 2.668 173 S HA 0.151 4.628 4.470 0.012 0.000 0.277 173 S C 0.677 175.285 174.600 0.013 0.000 1.170 173 S CA -1.709 56.499 58.200 0.013 0.000 0.994 173 S CB 2.543 65.753 63.200 0.017 0.000 1.051 173 S HN 0.179 8.443 8.310 0.011 0.053 0.484 174 D N 4.748 125.155 120.400 0.012 0.000 2.144 174 D HA -0.174 4.470 4.640 0.007 0.000 0.200 174 D C 0.227 176.535 176.300 0.014 0.000 0.978 174 D CA 2.129 56.135 54.000 0.010 0.000 0.833 174 D CB 0.145 40.949 40.800 0.007 0.000 0.961 174 D HN 0.410 8.786 8.370 0.011 0.000 0.470 175 L N -1.210 120.026 121.223 0.022 0.000 2.980 175 L HA 0.289 4.649 4.340 0.033 0.000 0.314 175 L C -1.170 175.726 176.870 0.044 0.000 1.303 175 L CA -0.811 54.049 54.840 0.034 0.000 0.785 175 L CB -0.213 41.868 42.059 0.037 0.000 1.190 175 L HN -0.472 7.760 8.230 0.021 0.011 0.567 176 S N 0.088 115.809 115.700 0.036 0.000 4.159 176 S HA -0.466 4.021 4.470 0.027 0.000 0.538 176 S C -1.460 173.159 174.600 0.032 0.000 1.851 176 S CA 3.019 61.239 58.200 0.034 0.000 4.234 176 S CB 0.021 63.247 63.200 0.044 0.000 0.389 176 S HN 0.302 8.629 8.310 0.029 0.000 0.454 177 D N -0.802 119.623 120.400 0.041 0.000 2.266 177 D HA 0.090 4.751 4.640 0.035 0.000 0.174 177 D C -1.672 174.661 176.300 0.054 0.000 1.096 177 D CA -0.116 53.907 54.000 0.039 0.000 0.853 177 D CB 0.747 41.564 40.800 0.028 0.000 3.128 177 D HN -0.286 8.105 8.370 0.052 0.010 0.484 178 I N -3.686 116.921 120.570 0.062 0.000 2.466 178 I HA 0.421 4.661 4.170 0.116 0.000 0.289 178 I C -1.035 175.122 176.117 0.066 0.000 1.026 178 I CA -1.138 60.220 61.300 0.096 0.000 1.078 178 I CB 1.243 39.319 38.000 0.128 0.000 1.249 178 I HN -0.022 8.217 8.210 0.047 0.000 0.429 179 K N 4.390 124.839 120.400 0.081 0.000 2.447 179 K HA 0.168 4.504 4.320 0.028 0.000 0.205 179 K C -0.408 176.232 176.600 0.066 0.000 1.059 179 K CA -0.428 55.890 56.287 0.051 0.000 1.065 179 K CB 0.628 33.151 32.500 0.039 0.000 0.885 179 K HN 0.514 8.831 8.250 0.111 0.000 0.545 180 G N 0.930 109.818 108.800 0.148 0.000 3.233 180 G HA2 -0.210 3.845 3.960 0.158 0.000 0.686 180 G HA3 -0.210 3.811 3.960 0.101 0.000 0.686 180 G C -0.727 174.397 174.900 0.373 0.000 1.153 180 G CA -0.515 44.725 45.100 0.234 0.000 0.853 180 G HN -0.577 7.835 8.290 0.204 0.000 0.582 181 S N 1.431 117.523 115.700 0.653 0.000 3.697 181 S HA -0.350 4.037 4.470 -0.137 0.000 0.388 181 S C -0.855 173.689 174.600 -0.094 0.000 0.941 181 S CA 1.073 59.308 58.200 0.059 0.000 1.247 181 S CB -0.149 63.091 63.200 0.067 0.000 0.904 181 S HN 0.084 9.234 8.310 1.401 0.000 0.518 182 V N -0.808 118.943 119.914 -0.271 0.000 5.036 182 V HA -0.004 4.041 4.120 -0.124 0.000 0.136 182 V C 0.380 176.320 176.094 -0.257 0.000 1.061 182 V CA 0.892 63.095 62.300 -0.162 0.000 1.300 182 V CB -0.204 31.611 31.823 -0.012 0.000 1.903 182 V HN -0.537 7.240 8.190 -0.688 0.000 0.543 183 L N -0.226 120.884 121.223 -0.189 0.000 2.200 183 L HA 0.111 4.279 4.340 -0.286 0.000 0.200 183 L C 1.124 177.829 176.870 -0.276 0.000 1.072 183 L CA 2.255 56.968 54.840 -0.212 0.000 0.787 183 L CB -0.444 41.601 42.059 -0.024 0.000 0.957 183 L HN 0.004 8.209 8.230 -0.043 0.000 0.459 184 H N -2.314 116.762 119.070 0.009 0.000 2.390 184 H HA -0.296 4.392 4.556 0.220 0.000 0.298 184 H C 2.049 177.389 175.328 0.020 0.000 1.106 184 H CA 3.148 59.244 56.048 0.080 0.000 1.297 184 H CB -1.264 28.535 29.762 0.062 0.000 1.375 184 H HN 0.387 8.752 8.280 0.142 0.000 0.509 185 S N -0.337 114.867 115.700 -0.826 0.000 2.368 185 S HA -0.365 4.016 4.470 -0.148 0.000 0.225 185 S C 2.257 176.725 174.600 -0.220 0.000 1.030 185 S CA 3.517 61.476 58.200 -0.400 0.000 0.999 185 S CB -0.228 62.700 63.200 -0.453 0.000 0.844 185 S HN 0.142 7.425 8.310 -1.695 0.011 0.459 186 R N 1.597 121.917 120.500 -0.300 0.000 2.073 186 R HA -0.312 3.928 4.340 -0.166 0.000 0.234 186 R C 2.603 178.788 176.300 -0.191 0.000 1.134 186 R CA 2.897 58.843 56.100 -0.257 0.000 0.952 186 R CB -0.528 29.561 30.300 -0.353 0.000 0.850 186 R HN -0.732 7.218 8.270 -0.393 0.085 0.433 187 H N -1.649 117.395 119.070 -0.043 0.000 2.353 187 H HA -0.184 4.358 4.556 -0.023 0.000 0.300 187 H C 2.629 177.945 175.328 -0.019 0.000 1.090 187 H CA 2.960 58.996 56.048 -0.020 0.000 1.327 187 H CB -0.427 29.336 29.762 0.002 0.000 1.383 187 H HN -0.177 7.842 8.280 -0.435 0.000 0.508 188 T N 1.512 116.126 114.554 0.100 0.000 2.746 188 T HA -0.387 4.002 4.350 0.065 0.000 0.267 188 T C 2.212 176.919 174.700 0.011 0.000 1.039 188 T CA 5.176 67.311 62.100 0.057 0.000 1.142 188 T CB -0.326 68.579 68.868 0.062 0.000 0.866 188 T HN 0.050 8.264 8.240 0.083 0.076 0.444 189 E N 1.560 121.751 120.200 -0.014 0.000 2.110 189 E HA -0.206 4.124 4.350 -0.034 0.000 0.193 189 E C 2.703 179.261 176.600 -0.069 0.000 0.988 189 E CA 2.742 59.120 56.400 -0.037 0.000 0.804 189 E CB -0.720 28.961 29.700 -0.032 0.000 0.745 189 E HN -0.238 8.107 8.360 -0.025 0.000 0.458 190 L N -0.389 120.809 121.223 -0.042 0.000 2.017 190 L HA -0.408 3.864 4.340 -0.114 0.000 0.208 190 L C 2.166 178.995 176.870 -0.068 0.000 1.073 190 L CA 3.547 58.353 54.840 -0.057 0.000 0.745 190 L CB -0.273 41.798 42.059 0.020 0.000 0.894 190 L HN 0.132 8.256 8.230 -0.014 0.097 0.432 191 K N -1.629 118.755 120.400 -0.026 0.000 2.057 191 K HA -0.367 3.933 4.320 -0.034 0.000 0.206 191 K C 2.503 179.075 176.600 -0.047 0.000 1.050 191 K CA 3.723 59.993 56.287 -0.029 0.000 0.935 191 K CB -0.285 32.213 32.500 -0.005 0.000 0.715 191 K HN -0.104 8.149 8.250 0.005 0.000 0.439 192 E N -0.158 120.013 120.200 -0.048 0.000 2.072 192 E HA -0.375 3.954 4.350 -0.035 0.000 0.191 192 E C 2.087 178.634 176.600 -0.090 0.000 0.985 192 E CA 3.331 59.701 56.400 -0.050 0.000 0.801 192 E CB 0.061 29.741 29.700 -0.033 0.000 0.750 192 E HN 0.234 8.464 8.360 -0.037 0.108 0.452 193 K N -0.759 119.546 120.400 -0.159 0.000 2.062 193 K HA -0.189 4.011 4.320 -0.201 0.000 0.205 193 K C 2.463 178.897 176.600 -0.276 0.000 1.051 193 K CA 3.188 59.303 56.287 -0.287 0.000 0.941 193 K CB -0.025 32.125 32.500 -0.583 0.000 0.719 193 K HN 0.188 8.229 8.250 -0.152 0.118 0.440 194 L N -1.315 119.770 121.223 -0.229 0.000 2.056 194 L HA -0.192 4.054 4.340 -0.156 0.000 0.207 194 L C 1.651 178.480 176.870 -0.069 0.000 1.078 194 L CA 3.117 57.871 54.840 -0.142 0.000 0.749 194 L CB -0.612 41.385 42.059 -0.104 0.000 0.901 194 L HN 0.025 8.125 8.230 -0.216 0.000 0.433 195 R N -1.479 118.986 120.500 -0.058 0.000 2.096 195 R HA -0.358 3.969 4.340 -0.022 0.000 0.235 195 R C 2.034 178.325 176.300 -0.015 0.000 1.127 195 R CA 2.838 58.920 56.100 -0.029 0.000 0.968 195 R CB -1.375 28.910 30.300 -0.026 0.000 0.861 195 R HN 0.250 8.365 8.270 -0.071 0.112 0.440 196 S N 1.358 117.041 115.700 -0.027 0.000 2.368 196 S HA -0.279 4.195 4.470 0.005 0.000 0.225 196 S C 2.316 176.938 174.600 0.037 0.000 1.030 196 S CA 4.109 62.306 58.200 -0.005 0.000 0.999 196 S CB -0.239 62.945 63.200 -0.026 0.000 0.844 196 S HN -0.373 7.897 8.310 -0.054 0.008 0.459 197 I N 1.984 122.574 120.570 0.033 0.000 2.252 197 I HA -0.512 3.805 4.170 0.244 0.000 0.245 197 I C 1.363 177.579 176.117 0.165 0.000 1.102 197 I CA 4.040 65.432 61.300 0.154 0.000 1.385 197 I CB -0.236 37.823 38.000 0.098 0.000 1.064 197 I HN -0.125 7.993 8.210 -0.027 0.075 0.414 198 N N -0.634 118.101 118.700 0.057 0.000 2.120 198 N HA -0.340 4.405 4.740 0.008 0.000 0.188 198 N C 2.324 177.841 175.510 0.010 0.000 1.024 198 N CA 3.343 56.404 53.050 0.019 0.000 0.852 198 N CB -0.033 38.454 38.487 -0.000 0.000 1.003 198 N HN 0.256 8.474 8.380 0.028 0.179 0.424 199 Q N -1.117 118.697 119.800 0.024 0.000 2.167 199 Q HA -0.202 4.143 4.340 0.008 0.000 0.202 199 Q C 2.692 178.711 176.000 0.032 0.000 0.970 199 Q CA 2.838 58.653 55.803 0.020 0.000 0.855 199 Q CB -0.408 28.342 28.738 0.021 0.000 0.911 199 Q HN 0.567 8.736 8.270 0.026 0.117 0.438 200 G N 0.137 108.989 108.800 0.086 0.000 2.421 200 G HA2 -0.300 3.732 3.960 0.120 0.000 0.216 200 G HA3 -0.300 3.876 3.960 0.360 0.000 0.216 200 G C 1.295 176.152 174.900 -0.072 0.000 1.171 200 G CA 1.981 47.163 45.100 0.136 0.000 0.775 200 G HN 0.161 8.302 8.290 0.115 0.218 0.543 201 L N 1.289 122.384 121.223 -0.214 0.000 2.046 201 L HA -0.404 3.654 4.340 -0.470 0.000 0.208 201 L C 1.961 178.749 176.870 -0.137 0.000 1.077 201 L CA 2.988 57.644 54.840 -0.307 0.000 0.747 201 L CB -0.385 41.510 42.059 -0.274 0.000 0.896 201 L HN -0.125 8.037 8.230 -0.114 0.000 0.432 202 D N -1.741 118.619 120.400 -0.067 0.000 2.144 202 D HA -0.333 4.292 4.640 -0.024 0.000 0.199 202 D C 2.323 178.623 176.300 -0.001 0.000 0.984 202 D CA 3.636 57.621 54.000 -0.025 0.000 0.834 202 D CB -0.474 40.319 40.800 -0.012 0.000 0.955 202 D HN -0.096 8.173 8.370 -0.057 0.068 0.465 203 R N 0.171 120.669 120.500 -0.003 0.000 2.081 203 R HA -0.302 4.059 4.340 0.035 0.000 0.235 203 R C 2.106 178.421 176.300 0.025 0.000 1.131 203 R CA 2.981 59.094 56.100 0.021 0.000 0.960 203 R CB -0.538 29.780 30.300 0.029 0.000 0.856 203 R HN 0.125 8.180 8.270 -0.012 0.208 0.436 204 L N -1.336 119.871 121.223 -0.026 0.000 2.046 204 L HA -0.337 4.007 4.340 0.006 0.000 0.208 204 L C 2.328 179.232 176.870 0.058 0.000 1.077 204 L CA 3.400 58.222 54.840 -0.030 0.000 0.747 204 L CB -0.455 41.485 42.059 -0.198 0.000 0.896 204 L HN -0.035 8.067 8.230 -0.072 0.085 0.432 205 R N -1.181 119.365 120.500 0.075 0.000 2.081 205 R HA -0.246 4.297 4.340 0.338 0.000 0.235 205 R C 3.380 179.862 176.300 0.303 0.000 1.131 205 R CA 3.485 59.722 56.100 0.228 0.000 0.960 205 R CB -0.204 30.158 30.300 0.104 0.000 0.856 205 R HN 0.050 8.240 8.270 0.012 0.086 0.436 206 R N -0.524 120.069 120.500 0.154 0.000 2.075 206 R HA -0.327 4.110 4.340 0.162 0.000 0.232 206 R C 2.355 178.748 176.300 0.156 0.000 1.126 206 R CA 3.679 59.865 56.100 0.144 0.000 0.963 206 R CB -0.110 30.241 30.300 0.086 0.000 0.858 206 R HN 0.260 8.406 8.270 0.097 0.183 0.435 207 V N 1.167 121.161 119.914 0.134 0.000 2.295 207 V HA -0.456 3.798 4.120 0.134 -0.053 0.246 207 V C 1.721 177.925 176.094 0.183 0.000 1.049 207 V CA 4.026 66.412 62.300 0.143 0.000 1.024 207 V CB 0.033 31.933 31.823 0.128 0.000 0.648 207 V HN 0.381 8.456 8.190 0.114 0.184 0.447 208 S N -0.987 114.794 115.700 0.134 0.000 2.428 208 S HA -0.224 4.345 4.470 0.165 0.000 0.230 208 S C 1.426 175.925 174.600 -0.168 0.000 1.014 208 S CA 3.293 61.501 58.200 0.014 0.000 0.957 208 S CB 0.496 63.618 63.200 -0.130 0.000 0.784 208 S HN -0.105 8.285 8.310 0.133 0.000 0.499 209 H N -0.883 118.232 119.070 0.075 0.000 2.648 209 H HA 0.199 4.743 4.556 -0.020 0.000 0.265 209 H C 0.745 176.109 175.328 0.060 0.000 0.961 209 H CA 1.692 57.758 56.048 0.031 0.000 1.185 209 H CB 0.847 30.624 29.762 0.025 0.000 1.449 209 H HN -0.027 8.153 8.280 0.186 0.212 0.523 210 Q N -1.567 118.348 119.800 0.192 0.000 2.445 210 Q HA 0.097 4.522 4.340 0.142 0.000 0.257 210 Q C 0.775 176.874 176.000 0.165 0.000 0.806 210 Q CA 0.824 56.721 55.803 0.156 0.000 0.987 210 Q CB 2.095 30.908 28.738 0.125 0.000 1.248 210 Q HN 0.614 8.793 8.270 0.193 0.206 0.542 211 G N 0.866 109.770 108.800 0.173 0.000 3.392 211 G HA2 -0.065 3.960 3.960 0.108 0.000 0.247 211 G HA3 -0.065 3.963 3.960 0.136 0.013 0.247 211 G C -1.041 173.975 174.900 0.193 0.000 1.161 211 G CA 0.172 45.362 45.100 0.150 0.000 1.739 211 G HN -0.321 7.843 8.290 0.173 0.229 0.619 212 Y N 0.778 121.119 120.300 0.069 0.000 2.772 212 Y HA 0.079 4.698 4.550 0.115 0.000 0.324 212 Y C -1.733 174.195 175.900 0.046 0.000 1.169 212 Y CA -1.098 57.047 58.100 0.075 0.000 1.198 212 Y CB 2.762 41.256 38.460 0.057 0.000 1.402 212 Y HN -0.161 8.161 8.280 0.258 0.112 0.577 213 S N -0.117 115.659 115.700 0.127 0.000 2.568 213 S HA -0.080 4.374 4.470 -0.026 0.000 0.282 213 S C -0.625 174.041 174.600 0.110 0.000 1.338 213 S CA 0.392 58.635 58.200 0.072 0.000 1.045 213 S CB 0.431 63.689 63.200 0.097 0.000 0.873 213 S HN 0.093 8.533 8.310 0.216 0.000 0.516 214 T N -0.235 114.349 114.554 0.049 0.000 2.773 214 T HA 0.092 4.483 4.350 0.068 0.000 0.278 214 T C -0.780 173.936 174.700 0.027 0.000 1.011 214 T CA -0.766 61.363 62.100 0.048 0.000 1.014 214 T CB 1.383 70.274 68.868 0.038 0.000 1.293 214 T HN -0.392 7.859 8.240 0.017 0.000 0.554 215 E N -0.629 119.589 120.200 0.030 0.000 8.706 215 E HA -0.224 4.144 4.350 0.030 0.000 0.467 215 E C -1.207 175.406 176.600 0.022 0.000 1.156 215 E CA 0.096 56.509 56.400 0.022 0.000 2.010 215 E CB 0.524 30.227 29.700 0.005 0.000 1.008 215 E HN 0.066 8.448 8.360 0.037 0.000 0.266 216 A N 1.695 124.533 122.820 0.030 0.000 2.540 216 A HA -0.094 4.267 4.320 0.067 0.000 0.239 216 A C -0.105 177.460 177.584 -0.032 0.000 1.061 216 A CA 0.752 52.813 52.037 0.039 0.000 0.758 216 A CB 0.307 19.347 19.000 0.067 0.000 0.991 216 A HN 0.401 8.571 8.150 0.034 0.000 0.502 217 E N 1.377 121.528 120.200 -0.082 0.000 2.427 217 E HA -0.122 4.058 4.350 -0.283 0.000 0.196 217 E C -0.475 175.706 176.600 -0.698 0.000 1.028 217 E CA 1.290 57.476 56.400 -0.358 0.000 0.864 217 E CB 0.297 29.751 29.700 -0.409 0.000 0.813 217 E HN 0.428 8.791 8.360 0.006 0.000 0.514 218 F N -1.563 118.389 119.950 0.005 0.000 2.022 218 F HA 0.135 4.654 4.527 -0.014 0.000 0.211 218 F C -0.771 175.016 175.800 -0.021 0.000 1.278 218 F CA 0.056 58.050 58.000 -0.011 0.000 1.261 218 F CB 0.967 39.962 39.000 -0.009 0.000 1.929 218 F HN -0.897 7.393 8.300 0.068 0.051 0.136 219 E N -0.165 120.177 120.200 0.237 0.000 2.360 219 E HA -0.348 4.053 4.350 0.085 0.000 0.236 219 E C -1.302 175.322 176.600 0.040 0.000 1.312 219 E CA 0.739 57.201 56.400 0.103 0.000 0.714 219 E CB -0.772 28.983 29.700 0.091 0.000 1.202 219 E HN -0.100 8.460 8.360 0.332 0.000 0.386 220 E N -2.547 117.672 120.200 0.031 0.000 2.414 220 E HA -0.091 4.255 4.350 -0.008 0.000 0.263 220 E C -0.906 175.656 176.600 -0.063 0.000 1.000 220 E CA -0.620 55.771 56.400 -0.016 0.000 0.914 220 E CB 0.326 30.017 29.700 -0.014 0.000 0.948 220 E HN -0.218 8.151 8.360 0.085 0.041 0.444 221 P HA 0.091 4.474 4.420 -0.062 0.000 0.253 221 P C -1.239 176.014 177.300 -0.079 0.000 1.281 221 P CA 0.826 63.891 63.100 -0.058 0.000 0.792 221 P CB 0.230 31.912 31.700 -0.031 0.000 1.193 222 R N -2.821 117.617 120.500 -0.103 0.000 2.076 222 R HA -0.010 4.281 4.340 -0.082 0.000 0.203 222 R C 1.658 177.841 176.300 -0.194 0.000 1.229 222 R CA 2.044 58.079 56.100 -0.108 0.000 1.094 222 R CB -0.180 30.076 30.300 -0.073 0.000 0.991 222 R HN -0.412 7.668 8.270 -0.102 0.128 0.471 223 V N 2.013 121.764 119.914 -0.272 0.000 2.237 223 V HA -0.289 3.609 4.120 -0.370 0.000 0.245 223 V C 1.019 176.515 176.094 -0.997 0.000 1.046 223 V CA 3.204 65.199 62.300 -0.508 0.000 1.007 223 V CB -0.390 31.156 31.823 -0.461 0.000 0.638 223 V HN -0.218 7.849 8.190 -0.205 0.000 0.445 224 I N -1.428 118.631 120.570 -0.851 0.000 2.226 224 I HA -0.477 2.869 4.170 -1.373 0.000 0.245 224 I C 2.004 177.899 176.117 -0.370 0.000 1.100 224 I CA 3.553 64.373 61.300 -0.800 0.000 1.374 224 I CB -1.557 36.199 38.000 -0.406 0.000 1.057 224 I HN -0.777 7.086 8.210 -0.578 0.000 0.413 225 D N 0.040 120.300 120.400 -0.233 0.000 2.144 225 D HA -0.263 4.357 4.640 -0.033 0.000 0.199 225 D C 2.402 178.681 176.300 -0.036 0.000 0.984 225 D CA 2.803 56.752 54.000 -0.086 0.000 0.834 225 D CB -0.073 40.688 40.800 -0.066 0.000 0.955 225 D HN -0.323 7.894 8.370 -0.254 0.000 0.465 226 L N 0.213 121.378 121.223 -0.097 0.000 2.046 226 L HA -0.337 4.024 4.340 0.035 0.000 0.208 226 L C 1.781 178.780 176.870 0.215 0.000 1.077 226 L CA 3.544 58.400 54.840 0.025 0.000 0.747 226 L CB -0.122 41.941 42.059 0.007 0.000 0.896 226 L HN -0.023 7.877 8.230 -0.213 0.203 0.432 227 W N -3.775 117.535 121.300 0.016 0.000 2.363 227 W HA -0.340 4.379 4.660 0.099 0.000 0.296 227 W C 2.178 178.827 176.519 0.217 0.000 1.212 227 W CA 1.053 58.453 57.345 0.092 0.000 1.260 227 W CB -1.204 28.257 29.460 0.002 0.000 1.131 227 W HN -0.421 7.591 8.180 -0.143 0.082 0.530 228 D N -1.089 119.522 120.400 0.352 0.000 2.178 228 D HA -0.213 4.694 4.640 0.445 0.000 0.201 228 D C 2.870 179.294 176.300 0.207 0.000 0.980 228 D CA 2.680 56.861 54.000 0.302 0.000 0.842 228 D CB -0.080 40.814 40.800 0.157 0.000 0.948 228 D HN -0.592 7.816 8.370 0.232 0.102 0.472 229 L N -0.593 120.706 121.223 0.126 0.000 2.046 229 L HA -0.394 3.967 4.340 0.035 0.000 0.208 229 L C 1.841 178.690 176.870 -0.036 0.000 1.077 229 L CA 2.298 57.164 54.840 0.044 0.000 0.747 229 L CB -0.312 41.768 42.059 0.035 0.000 0.896 229 L HN -0.279 7.901 8.230 0.138 0.133 0.432 230 A N -1.909 120.873 122.820 -0.063 0.000 1.942 230 A HA -0.519 3.691 4.320 -0.183 0.000 0.227 230 A C 2.091 179.422 177.584 -0.422 0.000 1.445 230 A CA 3.135 54.997 52.037 -0.292 0.000 0.704 230 A CB -1.112 17.557 19.000 -0.552 0.000 0.841 230 A HN -0.168 7.931 8.150 0.067 0.091 0.495 231 Q N -3.251 116.257 119.800 -0.487 0.000 2.096 231 Q HA -0.354 3.739 4.340 -0.411 0.000 0.204 231 Q C 2.482 178.394 176.000 -0.145 0.000 0.982 231 Q CA 2.516 58.130 55.803 -0.315 0.000 0.850 231 Q CB -0.363 28.320 28.738 -0.093 0.000 0.901 231 Q HN -0.229 7.772 8.270 -0.444 0.003 0.422 232 S N 0.778 116.426 115.700 -0.086 0.000 2.561 232 S HA -0.105 4.342 4.470 -0.040 0.000 0.225 232 S C 0.508 175.075 174.600 -0.055 0.000 0.977 232 S CA 1.941 60.113 58.200 -0.047 0.000 0.926 232 S CB -0.090 63.099 63.200 -0.017 0.000 0.769 232 S HN 0.370 8.540 8.310 -0.074 0.096 0.533 233 A N 0.085 122.855 122.820 -0.084 0.000 2.276 233 A HA 0.010 4.303 4.320 -0.045 0.000 0.212 233 A C -1.346 176.195 177.584 -0.072 0.000 1.230 233 A CA 0.128 52.123 52.037 -0.070 0.000 0.844 233 A CB -0.220 18.734 19.000 -0.077 0.000 0.860 233 A HN -0.455 7.400 8.150 -0.122 0.221 0.486 234 N N -2.784 115.870 118.700 -0.076 0.000 2.411 234 N HA -0.391 4.314 4.740 -0.058 0.000 0.286 234 N C -1.225 174.239 175.510 -0.077 0.000 1.382 234 N CA 0.766 53.777 53.050 -0.064 0.000 0.630 234 N CB -1.862 36.599 38.487 -0.043 0.000 0.904 234 N HN -0.441 7.778 8.380 -0.080 0.113 0.516 235 L N 0.727 121.894 121.223 -0.093 0.000 2.283 235 L HA 0.401 4.694 4.340 -0.078 0.000 0.259 235 L C -0.339 176.494 176.870 -0.062 0.000 1.027 235 L CA -2.244 52.540 54.840 -0.094 0.000 0.828 235 L CB 3.249 45.211 42.059 -0.161 0.000 1.380 235 L HN 0.071 8.245 8.230 -0.094 0.000 0.425 236 T N -2.562 111.965 114.554 -0.045 0.000 2.813 236 T HA 0.012 4.348 4.350 -0.023 0.000 0.297 236 T C 0.590 175.282 174.700 -0.014 0.000 1.036 236 T CA -1.046 61.039 62.100 -0.025 0.000 1.044 236 T CB 1.069 69.927 68.868 -0.018 0.000 0.993 236 T HN -0.001 8.211 8.240 -0.048 0.000 0.535 237 D N 2.228 122.626 120.400 -0.003 0.000 2.097 237 D HA -0.304 4.344 4.640 0.013 0.000 0.195 237 D C 2.100 178.413 176.300 0.022 0.000 0.989 237 D CA 3.687 57.693 54.000 0.010 0.000 0.827 237 D CB -0.313 40.493 40.800 0.009 0.000 0.966 237 D HN 0.355 8.722 8.370 -0.006 0.000 0.456 238 K N -1.068 119.342 120.400 0.016 0.000 2.026 238 K HA -0.277 4.058 4.320 0.026 0.000 0.208 238 K C 2.168 178.789 176.600 0.036 0.000 1.048 238 K CA 3.357 59.657 56.287 0.023 0.000 0.929 238 K CB -0.282 32.226 32.500 0.013 0.000 0.713 238 K HN 0.112 8.367 8.250 0.008 0.000 0.439 239 E N -0.401 119.815 120.200 0.028 0.000 2.106 239 E HA -0.233 4.147 4.350 0.050 0.000 0.192 239 E C 2.288 178.939 176.600 0.085 0.000 0.984 239 E CA 2.396 58.820 56.400 0.041 0.000 0.806 239 E CB -0.180 29.524 29.700 0.007 0.000 0.750 239 E HN -0.721 7.647 8.360 0.013 0.000 0.458 240 L N 0.088 121.344 121.223 0.055 0.000 2.046 240 L HA -0.322 4.049 4.340 0.051 0.000 0.208 240 L C 1.886 178.888 176.870 0.220 0.000 1.077 240 L CA 3.266 58.164 54.840 0.098 0.000 0.747 240 L CB -0.157 41.922 42.059 0.032 0.000 0.896 240 L HN 0.266 8.323 8.230 0.023 0.187 0.432 241 E N -0.430 119.847 120.200 0.130 0.000 2.031 241 E HA -0.388 4.032 4.350 0.117 0.000 0.193 241 E C 2.050 178.715 176.600 0.107 0.000 0.994 241 E CA 3.012 59.478 56.400 0.109 0.000 0.800 241 E CB -0.460 29.279 29.700 0.064 0.000 0.752 241 E HN 0.289 8.597 8.360 0.088 0.104 0.447 242 A N -0.980 121.897 122.820 0.095 0.000 1.940 242 A HA -0.322 4.190 4.320 0.035 -0.172 0.219 242 A C 1.764 179.396 177.584 0.079 0.000 1.176 242 A CA 3.318 55.394 52.037 0.066 0.000 0.631 242 A CB -0.593 18.438 19.000 0.052 0.000 0.814 242 A HN -0.214 7.988 8.150 0.088 0.000 0.446 243 F N 0.391 120.336 119.950 -0.009 0.000 2.146 243 F HA -0.417 4.091 4.527 -0.032 0.000 0.298 243 F C 1.176 176.985 175.800 0.014 0.000 1.096 243 F CA 3.127 61.118 58.000 -0.014 0.000 1.275 243 F CB 0.129 39.116 39.000 -0.021 0.000 1.008 243 F HN 0.039 8.323 8.300 0.286 0.188 0.480 244 R N -0.075 120.435 120.500 0.016 0.000 2.083 244 R HA -0.509 3.648 4.340 -0.304 0.000 0.237 244 R C 1.999 178.203 176.300 -0.160 0.000 1.137 244 R CA 4.000 60.034 56.100 -0.111 0.000 0.951 244 R CB -0.163 30.208 30.300 0.118 0.000 0.851 244 R HN 0.559 8.841 8.270 0.339 0.191 0.434 245 E N -2.410 117.760 120.200 -0.051 0.000 2.106 245 E HA -0.320 4.064 4.350 0.057 0.000 0.192 245 E C 2.163 178.776 176.600 0.023 0.000 0.984 245 E CA 2.747 59.161 56.400 0.023 0.000 0.806 245 E CB -0.680 29.047 29.700 0.045 0.000 0.750 245 E HN -0.102 8.254 8.360 -0.006 0.000 0.458 246 E N 1.281 121.425 120.200 -0.094 0.000 2.051 246 E HA -0.285 4.037 4.350 -0.047 0.000 0.192 246 E C 2.341 178.888 176.600 -0.088 0.000 0.991 246 E CA 2.791 59.135 56.400 -0.094 0.000 0.799 246 E CB -0.341 29.280 29.700 -0.132 0.000 0.748 246 E HN -0.273 7.942 8.360 -0.119 0.073 0.449 247 L N -1.252 119.780 121.223 -0.318 0.000 2.046 247 L HA -0.285 3.990 4.340 -0.109 0.000 0.208 247 L C 2.018 178.869 176.870 -0.032 0.000 1.077 247 L CA 3.093 57.788 54.840 -0.242 0.000 0.747 247 L CB -0.889 40.825 42.059 -0.575 0.000 0.896 247 L HN 0.460 8.244 8.230 -0.564 0.107 0.432 248 K N -0.330 120.036 120.400 -0.056 0.000 2.063 248 K HA -0.456 4.018 4.320 -0.023 -0.168 0.208 248 K C 2.407 178.997 176.600 -0.016 0.000 1.048 248 K CA 3.530 59.804 56.287 -0.022 0.000 0.928 248 K CB -0.241 32.241 32.500 -0.030 0.000 0.713 248 K HN -0.134 8.042 8.250 -0.123 0.000 0.442 249 H N -1.075 117.980 119.070 -0.024 0.000 2.357 249 H HA -0.224 4.306 4.556 -0.043 0.000 0.301 249 H C 2.267 177.578 175.328 -0.028 0.000 1.082 249 H CA 3.940 59.967 56.048 -0.034 0.000 1.342 249 H CB 0.414 30.147 29.762 -0.048 0.000 1.389 249 H HN -0.398 8.020 8.280 0.230 0.000 0.511 250 F N 0.774 120.724 119.950 -0.000 0.000 2.095 250 F HA -0.429 4.043 4.527 -0.091 0.000 0.298 250 F C 0.921 176.707 175.800 -0.023 0.000 1.104 250 F CA 3.926 61.902 58.000 -0.041 0.000 1.232 250 F CB -0.057 38.940 39.000 -0.004 0.000 0.987 250 F HN 0.033 8.424 8.300 0.274 0.073 0.475 251 E N -1.452 118.926 120.200 0.296 0.000 2.106 251 E HA -0.450 4.059 4.350 0.266 0.000 0.192 251 E C 2.279 178.892 176.600 0.023 0.000 0.984 251 E CA 2.863 59.371 56.400 0.180 0.000 0.806 251 E CB -0.671 29.107 29.700 0.131 0.000 0.750 251 E HN 0.241 8.774 8.360 0.289 0.000 0.458 252 A N 0.254 123.054 122.820 -0.034 0.000 1.898 252 A HA -0.245 4.037 4.320 -0.064 0.000 0.216 252 A C 2.131 179.649 177.584 -0.110 0.000 1.181 252 A CA 2.926 54.909 52.037 -0.089 0.000 0.620 252 A CB -0.827 18.073 19.000 -0.167 0.000 0.819 252 A HN -0.045 8.007 8.150 -0.021 0.086 0.442 253 K N -0.929 119.376 120.400 -0.157 0.000 2.026 253 K HA -0.324 3.896 4.320 -0.167 0.000 0.208 253 K C 2.206 178.693 176.600 -0.189 0.000 1.048 253 K CA 3.307 59.471 56.287 -0.205 0.000 0.929 253 K CB 0.013 32.325 32.500 -0.313 0.000 0.713 253 K HN 0.040 8.013 8.250 -0.153 0.185 0.439 254 I N 0.508 120.945 120.570 -0.223 0.000 2.252 254 I HA -0.478 3.584 4.170 -0.179 0.000 0.245 254 I C 1.258 177.399 176.117 0.041 0.000 1.102 254 I CA 3.487 64.708 61.300 -0.131 0.000 1.385 254 I CB 0.194 38.123 38.000 -0.119 0.000 1.064 254 I HN -0.187 7.856 8.210 -0.279 0.000 0.414 255 E N 0.098 120.310 120.200 0.020 0.000 2.077 255 E HA -0.392 4.014 4.350 0.093 0.000 0.193 255 E C 2.478 179.119 176.600 0.068 0.000 0.989 255 E CA 3.201 59.636 56.400 0.057 0.000 0.800 255 E CB -0.537 29.177 29.700 0.024 0.000 0.746 255 E HN -0.377 7.972 8.360 -0.019 0.000 0.452 256 K N -1.475 118.925 120.400 -0.000 0.000 2.057 256 K HA -0.301 4.035 4.320 0.027 0.000 0.207 256 K C 1.961 178.532 176.600 -0.047 0.000 1.049 256 K CA 2.882 59.145 56.287 -0.041 0.000 0.931 256 K CB -0.425 31.973 32.500 -0.170 0.000 0.714 256 K HN -0.026 8.200 8.250 -0.040 0.000 0.440 257 H N 0.029 119.016 119.070 -0.139 0.000 2.319 257 H HA -0.359 4.084 4.556 -0.189 0.000 0.299 257 H C 2.014 177.370 175.328 0.047 0.000 1.092 257 H CA 3.809 59.798 56.048 -0.098 0.000 1.302 257 H CB 0.129 29.837 29.762 -0.091 0.000 1.373 257 H HN -0.188 8.050 8.280 0.050 0.072 0.497 258 N N -0.548 118.133 118.700 -0.031 0.000 2.104 258 N HA -0.395 4.166 4.740 -0.299 0.000 0.190 258 N C 2.179 177.672 175.510 -0.027 0.000 1.024 258 N CA 2.928 55.936 53.050 -0.070 0.000 0.853 258 N CB -0.432 38.141 38.487 0.142 0.000 1.008 258 N HN -0.240 8.233 8.380 0.276 0.073 0.424 259 H N 1.515 120.599 119.070 0.023 0.000 2.319 259 H HA -0.366 4.221 4.556 0.052 0.000 0.299 259 H C 2.309 177.726 175.328 0.148 0.000 1.092 259 H CA 4.271 60.376 56.048 0.096 0.000 1.302 259 H CB 0.100 29.957 29.762 0.158 0.000 1.373 259 H HN -0.389 7.936 8.280 0.213 0.083 0.497 260 Y N -1.431 118.834 120.300 -0.059 0.000 2.224 260 Y HA -0.341 4.167 4.550 -0.070 0.000 0.289 260 Y C 2.745 178.535 175.900 -0.184 0.000 1.146 260 Y CA 2.448 60.486 58.100 -0.103 0.000 1.182 260 Y CB -0.829 37.598 38.460 -0.055 0.000 0.983 260 Y HN 0.031 8.600 8.280 0.481 0.000 0.524 261 Q N -1.837 117.903 119.800 -0.100 0.000 2.096 261 Q HA -0.439 3.843 4.340 -0.096 0.000 0.204 261 Q C 2.207 178.143 176.000 -0.106 0.000 0.982 261 Q CA 3.126 58.846 55.803 -0.139 0.000 0.850 261 Q CB -0.818 27.783 28.738 -0.228 0.000 0.901 261 Q HN 0.074 8.144 8.270 -0.173 0.096 0.422 262 K N 0.721 121.036 120.400 -0.140 0.000 2.026 262 K HA -0.358 3.908 4.320 -0.091 0.000 0.208 262 K C 2.507 179.010 176.600 -0.160 0.000 1.048 262 K CA 3.461 59.662 56.287 -0.144 0.000 0.929 262 K CB -0.213 32.175 32.500 -0.186 0.000 0.713 262 K HN -0.250 7.825 8.250 -0.153 0.082 0.439 263 Q N -1.573 118.083 119.800 -0.240 0.000 2.167 263 Q HA -0.273 3.959 4.340 -0.181 0.000 0.202 263 Q C 2.673 178.606 176.000 -0.112 0.000 0.970 263 Q CA 2.383 58.062 55.803 -0.206 0.000 0.855 263 Q CB -0.353 28.211 28.738 -0.290 0.000 0.911 263 Q HN -0.425 7.653 8.270 -0.320 0.000 0.438 264 L N 0.799 121.972 121.223 -0.083 0.000 2.046 264 L HA -0.335 4.017 4.340 0.020 0.000 0.208 264 L C 1.669 178.564 176.870 0.041 0.000 1.077 264 L CA 3.274 58.112 54.840 -0.002 0.000 0.747 264 L CB -0.271 41.787 42.059 -0.001 0.000 0.896 264 L HN 0.512 8.466 8.230 -0.106 0.213 0.432 265 E N -0.369 119.832 120.200 0.003 0.000 2.051 265 E HA -0.411 3.971 4.350 0.052 0.000 0.192 265 E C 2.416 179.034 176.600 0.030 0.000 0.991 265 E CA 3.348 59.764 56.400 0.026 0.000 0.799 265 E CB 0.032 29.730 29.700 -0.004 0.000 0.748 265 E HN -0.302 7.955 8.360 -0.033 0.083 0.449 266 I N -0.299 120.257 120.570 -0.023 0.000 2.226 266 I HA -0.495 3.640 4.170 -0.059 0.000 0.245 266 I C 1.758 177.842 176.117 -0.055 0.000 1.100 266 I CA 3.726 64.995 61.300 -0.052 0.000 1.374 266 I CB -0.149 37.809 38.000 -0.071 0.000 1.057 266 I HN -0.362 7.821 8.210 -0.044 0.000 0.413 267 A N -0.632 122.171 122.820 -0.028 0.000 1.933 267 A HA -0.413 3.874 4.320 -0.055 0.000 0.218 267 A C 1.447 179.017 177.584 -0.023 0.000 1.175 267 A CA 3.169 55.192 52.037 -0.024 0.000 0.628 267 A CB -0.949 18.058 19.000 0.011 0.000 0.814 267 A HN 0.477 8.501 8.150 -0.026 0.111 0.444 268 H N -0.294 118.732 119.070 -0.074 0.000 2.353 268 H HA -0.324 4.112 4.556 -0.200 0.000 0.300 268 H C 1.989 177.232 175.328 -0.142 0.000 1.090 268 H CA 3.831 59.805 56.048 -0.123 0.000 1.327 268 H CB 0.238 29.959 29.762 -0.068 0.000 1.383 268 H HN -0.085 8.180 8.280 0.142 0.100 0.508 269 E N -0.308 119.806 120.200 -0.143 0.000 2.085 269 E HA -0.387 3.803 4.350 -0.266 0.000 0.194 269 E C 2.040 178.384 176.600 -0.427 0.000 0.994 269 E CA 2.868 59.096 56.400 -0.286 0.000 0.801 269 E CB -0.450 29.098 29.700 -0.252 0.000 0.743 269 E HN -0.315 7.954 8.360 -0.023 0.078 0.453 270 K N -0.273 119.942 120.400 -0.308 0.000 2.097 270 K HA -0.308 3.831 4.320 -0.302 0.000 0.206 270 K C 2.135 178.637 176.600 -0.164 0.000 1.049 270 K CA 3.231 59.375 56.287 -0.237 0.000 0.933 270 K CB -0.193 32.222 32.500 -0.142 0.000 0.717 270 K HN -0.407 7.709 8.250 -0.223 0.000 0.442 271 L N -0.938 120.162 121.223 -0.205 0.000 2.046 271 L HA -0.302 3.959 4.340 -0.131 0.000 0.208 271 L C 1.615 178.373 176.870 -0.186 0.000 1.077 271 L CA 3.114 57.833 54.840 -0.201 0.000 0.747 271 L CB -0.363 41.519 42.059 -0.295 0.000 0.896 271 L HN -0.112 7.888 8.230 -0.230 0.093 0.432 272 R N -2.130 118.221 120.500 -0.250 0.000 2.081 272 R HA -0.377 3.868 4.340 -0.159 0.000 0.235 272 R C 2.797 179.132 176.300 0.057 0.000 1.131 272 R CA 3.606 59.629 56.100 -0.127 0.000 0.960 272 R CB -0.366 29.857 30.300 -0.128 0.000 0.856 272 R HN -0.318 7.730 8.270 -0.371 0.000 0.436 273 H N -0.463 118.530 119.070 -0.127 0.000 2.357 273 H HA -0.231 4.279 4.556 -0.078 0.000 0.301 273 H C 1.949 177.232 175.328 -0.076 0.000 1.082 273 H CA 2.134 58.130 56.048 -0.087 0.000 1.342 273 H CB 0.286 30.005 29.762 -0.072 0.000 1.389 273 H HN -0.340 7.927 8.280 0.104 0.076 0.511 274 A N -1.660 121.195 122.820 0.057 0.000 1.933 274 A HA -0.269 4.058 4.320 0.011 0.000 0.218 274 A C 2.504 180.078 177.584 -0.017 0.000 1.175 274 A CA 2.735 54.775 52.037 0.004 0.000 0.628 274 A CB -0.781 18.208 19.000 -0.019 0.000 0.814 274 A HN 0.469 8.533 8.150 0.042 0.111 0.444 275 E N -2.290 117.892 120.200 -0.031 0.000 2.153 275 E HA -0.360 3.969 4.350 -0.036 0.000 0.194 275 E C 2.369 178.948 176.600 -0.035 0.000 0.988 275 E CA 2.485 58.861 56.400 -0.039 0.000 0.811 275 E CB -0.306 29.360 29.700 -0.056 0.000 0.746 275 E HN 0.138 8.463 8.360 -0.036 0.014 0.466 276 S N -1.782 113.896 115.700 -0.038 0.000 2.442 276 S HA -0.230 4.210 4.470 -0.050 0.000 0.236 276 S C 1.431 176.006 174.600 -0.042 0.000 1.007 276 S CA 2.202 60.371 58.200 -0.051 0.000 0.965 276 S CB -0.493 62.657 63.200 -0.082 0.000 0.773 276 S HN -0.605 7.556 8.310 -0.029 0.131 0.504 277 V N -0.120 119.774 119.914 -0.032 0.000 2.295 277 V HA -0.350 3.752 4.120 -0.030 0.000 0.246 277 V C 1.091 177.170 176.094 -0.025 0.000 1.049 277 V CA 2.392 64.676 62.300 -0.027 0.000 1.024 277 V CB 0.259 32.070 31.823 -0.020 0.000 0.648 277 V HN -0.544 7.456 8.190 -0.028 0.173 0.447 278 G N -2.264 106.522 108.800 -0.023 0.000 2.241 278 G HA2 -0.405 3.543 3.960 -0.021 0.000 0.244 278 G HA3 -0.405 3.543 3.960 -0.020 0.000 0.244 278 G C 0.535 175.425 174.900 -0.016 0.000 0.998 278 G CA 0.852 45.940 45.100 -0.020 0.000 0.621 278 G HN -0.463 7.813 8.290 -0.024 0.000 0.519 279 D N 1.262 121.653 120.400 -0.016 0.000 2.264 279 D HA -0.135 4.498 4.640 -0.012 0.000 0.208 279 D C 1.356 177.649 176.300 -0.011 0.000 0.966 279 D CA 1.201 55.194 54.000 -0.013 0.000 0.864 279 D CB -0.322 40.471 40.800 -0.012 0.000 0.933 279 D HN -0.073 8.183 8.370 -0.017 0.103 0.499 280 G N -2.382 106.410 108.800 -0.013 0.000 2.159 280 G HA2 -0.489 3.463 3.960 -0.014 0.000 0.256 280 G HA3 -0.489 3.466 3.960 -0.010 0.000 0.256 280 G C -0.890 174.004 174.900 -0.011 0.000 0.977 280 G CA 0.240 45.333 45.100 -0.012 0.000 0.652 280 G HN 0.414 8.660 8.290 -0.016 0.034 0.531 281 E N -0.318 119.875 120.200 -0.011 0.000 2.349 281 E HA 0.055 4.400 4.350 -0.008 0.000 0.262 281 E C 0.141 176.734 176.600 -0.012 0.000 1.088 281 E CA -0.424 55.970 56.400 -0.010 0.000 0.899 281 E CB 0.447 30.142 29.700 -0.009 0.000 1.044 281 E HN -0.226 8.061 8.360 -0.012 0.066 0.420 282 R N -3.318 117.176 120.500 -0.011 0.000 4.021 282 R HA -0.409 3.925 4.340 -0.010 0.000 0.448 282 R C 1.504 177.794 176.300 -0.017 0.000 0.916 282 R CA 2.592 58.684 56.100 -0.013 0.000 1.618 282 R CB -1.420 28.870 30.300 -0.015 0.000 2.271 282 R HN 0.389 8.654 8.270 -0.008 0.000 0.507 283 V N -1.636 118.268 119.914 -0.018 0.000 2.295 283 V HA -0.413 3.687 4.120 -0.034 0.000 0.246 283 V C 1.505 177.593 176.094 -0.011 0.000 1.049 283 V CA 4.483 66.769 62.300 -0.022 0.000 1.024 283 V CB -0.238 31.573 31.823 -0.021 0.000 0.648 283 V HN -0.387 7.601 8.190 -0.015 0.193 0.447 284 S N -0.569 115.129 115.700 -0.003 0.000 2.356 284 S HA -0.480 3.996 4.470 0.010 0.000 0.223 284 S C 1.678 176.285 174.600 0.011 0.000 1.032 284 S CA 4.101 62.305 58.200 0.006 0.000 1.005 284 S CB -0.270 62.933 63.200 0.005 0.000 0.867 284 S HN -0.092 8.215 8.310 -0.005 0.000 0.449 285 R N 0.623 121.127 120.500 0.006 0.000 2.073 285 R HA -0.311 4.035 4.340 0.011 0.000 0.234 285 R C 2.386 178.695 176.300 0.014 0.000 1.134 285 R CA 3.586 59.691 56.100 0.008 0.000 0.952 285 R CB -0.291 30.009 30.300 0.001 0.000 0.850 285 R HN 0.067 8.338 8.270 0.001 0.000 0.433 286 S N 0.186 115.889 115.700 0.005 0.000 2.368 286 S HA -0.282 4.195 4.470 0.011 0.000 0.225 286 S C 1.991 176.621 174.600 0.051 0.000 1.030 286 S CA 3.982 62.187 58.200 0.007 0.000 0.999 286 S CB -0.327 62.854 63.200 -0.031 0.000 0.844 286 S HN 0.190 8.391 8.310 -0.005 0.106 0.459 287 R N 1.615 122.142 120.500 0.044 0.000 2.096 287 R HA -0.237 4.184 4.340 0.136 0.000 0.235 287 R C 1.975 178.348 176.300 0.121 0.000 1.127 287 R CA 2.508 58.666 56.100 0.096 0.000 0.968 287 R CB -0.426 29.909 30.300 0.058 0.000 0.861 287 R HN 0.023 8.304 8.270 0.018 0.000 0.440 288 E N -0.262 119.980 120.200 0.069 0.000 2.017 288 E HA -0.295 4.085 4.350 0.049 0.000 0.193 288 E C 2.641 179.275 176.600 0.056 0.000 0.997 288 E CA 3.173 59.604 56.400 0.053 0.000 0.804 288 E CB -0.492 29.227 29.700 0.032 0.000 0.757 288 E HN -0.063 8.244 8.360 0.050 0.083 0.448 289 K N -1.554 118.880 120.400 0.057 0.000 2.147 289 K HA -0.289 4.048 4.320 0.029 0.000 0.205 289 K C 2.203 178.849 176.600 0.077 0.000 1.049 289 K CA 2.435 58.749 56.287 0.046 0.000 0.936 289 K CB -0.452 32.063 32.500 0.025 0.000 0.722 289 K HN -0.373 7.908 8.250 0.051 0.000 0.446 290 H N 0.557 119.634 119.070 0.013 0.000 2.319 290 H HA -0.326 4.246 4.556 0.026 0.000 0.299 290 H C 1.841 177.187 175.328 0.030 0.000 1.092 290 H CA 3.811 59.876 56.048 0.029 0.000 1.302 290 H CB 0.516 30.308 29.762 0.051 0.000 1.373 290 H HN 0.044 8.241 8.280 0.200 0.203 0.497 291 A N -1.410 121.372 122.820 -0.064 0.000 1.930 291 A HA -0.265 3.910 4.320 -0.242 0.000 0.217 291 A C 1.970 179.510 177.584 -0.074 0.000 1.175 291 A CA 2.725 54.691 52.037 -0.118 0.000 0.627 291 A CB -0.344 18.647 19.000 -0.016 0.000 0.815 291 A HN 0.023 8.224 8.150 0.085 0.000 0.443 292 L N -1.016 120.195 121.223 -0.020 0.000 2.017 292 L HA -0.293 4.052 4.340 0.008 0.000 0.208 292 L C 1.684 178.566 176.870 0.019 0.000 1.073 292 L CA 2.946 57.790 54.840 0.007 0.000 0.745 292 L CB -0.376 41.698 42.059 0.024 0.000 0.894 292 L HN -0.284 7.879 8.230 0.001 0.069 0.432 293 L N -1.874 119.353 121.223 0.007 0.000 2.046 293 L HA -0.515 3.903 4.340 0.129 0.000 0.208 293 L C 2.166 179.046 176.870 0.016 0.000 1.077 293 L CA 3.867 58.732 54.840 0.043 0.000 0.747 293 L CB -0.426 41.637 42.059 0.005 0.000 0.896 293 L HN 0.464 8.578 8.230 -0.009 0.111 0.432 294 E N -0.832 119.315 120.200 -0.089 0.000 2.110 294 E HA -0.297 4.014 4.350 -0.065 0.000 0.193 294 E C 3.169 179.750 176.600 -0.032 0.000 0.988 294 E CA 2.773 59.113 56.400 -0.101 0.000 0.804 294 E CB -0.224 29.334 29.700 -0.237 0.000 0.745 294 E HN -0.173 8.094 8.360 -0.156 0.000 0.458 295 G N -0.594 108.191 108.800 -0.025 0.000 2.421 295 G HA2 -0.304 3.650 3.960 -0.010 0.000 0.216 295 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.216 295 G C 1.152 176.069 174.900 0.028 0.000 1.171 295 G CA 1.727 46.826 45.100 -0.002 0.000 0.775 295 G HN 0.456 8.510 8.290 -0.041 0.211 0.543 296 R N 1.985 122.517 120.500 0.053 0.000 2.081 296 R HA -0.142 4.226 4.340 0.047 0.000 0.235 296 R C 2.407 178.753 176.300 0.076 0.000 1.131 296 R CA 1.983 58.122 56.100 0.066 0.000 0.960 296 R CB -0.616 29.750 30.300 0.108 0.000 0.856 296 R HN -0.037 8.267 8.270 0.058 0.000 0.436 297 T N -0.840 113.775 114.554 0.102 0.000 2.652 297 T HA -0.439 4.061 4.350 0.250 0.000 0.267 297 T C 1.897 176.678 174.700 0.136 0.000 1.039 297 T CA 4.541 66.739 62.100 0.163 0.000 1.153 297 T CB -0.425 68.522 68.868 0.133 0.000 0.863 297 T HN -0.028 8.267 8.240 0.091 0.000 0.428 298 K N 1.467 121.919 120.400 0.086 0.000 2.057 298 K HA -0.372 4.002 4.320 0.091 0.000 0.207 298 K C 1.906 178.560 176.600 0.090 0.000 1.049 298 K CA 3.269 59.602 56.287 0.077 0.000 0.931 298 K CB -0.067 32.458 32.500 0.042 0.000 0.714 298 K HN -0.234 8.054 8.250 0.063 0.000 0.440 299 E N 0.185 120.428 120.200 0.072 0.000 2.077 299 E HA -0.309 4.100 4.350 0.098 0.000 0.193 299 E C 2.317 178.988 176.600 0.119 0.000 0.989 299 E CA 3.003 59.457 56.400 0.090 0.000 0.800 299 E CB 0.014 29.744 29.700 0.052 0.000 0.746 299 E HN -0.136 8.257 8.360 0.055 0.000 0.452 300 L N -0.680 120.581 121.223 0.064 0.000 2.046 300 L HA -0.180 4.152 4.340 -0.013 0.000 0.208 300 L C 2.211 179.063 176.870 -0.029 0.000 1.077 300 L CA 2.684 57.524 54.840 0.000 0.000 0.747 300 L CB -0.854 41.197 42.059 -0.014 0.000 0.896 300 L HN 0.388 8.474 8.230 0.067 0.185 0.432 301 G N -2.029 106.771 108.800 -0.000 0.000 2.440 301 G HA2 -0.404 3.482 3.960 -0.123 0.000 0.218 301 G HA3 -0.404 3.565 3.960 0.016 0.000 0.218 301 G C 0.913 175.817 174.900 0.006 0.000 1.154 301 G CA 2.214 47.296 45.100 -0.030 0.000 0.767 301 G HN -0.085 8.231 8.290 0.044 0.000 0.552 302 Y N 2.693 122.979 120.300 -0.024 0.000 2.145 302 Y HA -0.369 4.175 4.550 -0.010 0.000 0.286 302 Y C 1.544 177.450 175.900 0.009 0.000 1.145 302 Y CA 3.540 61.635 58.100 -0.007 0.000 1.148 302 Y CB 0.204 38.666 38.460 0.004 0.000 0.981 302 Y HN -0.169 8.236 8.280 0.218 0.007 0.507 303 T N 1.968 116.525 114.554 0.005 0.000 2.746 303 T HA -0.446 3.853 4.350 -0.084 0.000 0.267 303 T C 1.992 176.717 174.700 0.041 0.000 1.039 303 T CA 4.489 66.590 62.100 0.002 0.000 1.142 303 T CB -0.816 68.112 68.868 0.101 0.000 0.866 303 T HN -0.085 8.257 8.240 0.169 0.000 0.444 304 V N 2.709 122.598 119.914 -0.042 0.000 2.332 304 V HA -0.473 3.716 4.120 0.116 0.000 0.248 304 V C 1.459 177.567 176.094 0.023 0.000 1.055 304 V CA 4.623 66.928 62.300 0.008 0.000 1.038 304 V CB -0.377 31.374 31.823 -0.119 0.000 0.651 304 V HN 0.218 8.359 8.190 -0.081 0.000 0.450 305 K N -0.379 119.934 120.400 -0.145 0.000 2.009 305 K HA -0.449 3.769 4.320 -0.170 0.000 0.210 305 K C 2.196 178.706 176.600 -0.150 0.000 1.049 305 K CA 3.838 60.018 56.287 -0.179 0.000 0.929 305 K CB -0.288 32.078 32.500 -0.223 0.000 0.714 305 K HN -0.225 7.841 8.250 -0.180 0.076 0.440 306 K N -2.387 117.848 120.400 -0.275 0.000 2.057 306 K HA -0.312 3.874 4.320 -0.224 0.000 0.207 306 K C 2.470 178.976 176.600 -0.157 0.000 1.049 306 K CA 3.522 59.653 56.287 -0.261 0.000 0.931 306 K CB -0.119 32.145 32.500 -0.393 0.000 0.714 306 K HN -0.440 7.558 8.250 -0.419 0.000 0.440 307 H N 0.440 119.474 119.070 -0.060 0.000 2.387 307 H HA -0.220 4.313 4.556 -0.039 0.000 0.299 307 H C 2.646 177.995 175.328 0.035 0.000 1.090 307 H CA 4.575 60.633 56.048 0.017 0.000 1.332 307 H CB 0.022 29.893 29.762 0.181 0.000 1.386 307 H HN 0.097 8.371 8.280 0.101 0.067 0.516 308 L N -0.739 120.634 121.223 0.251 0.000 2.046 308 L HA -0.448 4.236 4.340 0.572 0.000 0.208 308 L C 2.317 179.276 176.870 0.148 0.000 1.077 308 L CA 3.620 58.642 54.840 0.303 0.000 0.747 308 L CB -0.427 41.750 42.059 0.197 0.000 0.896 308 L HN 0.654 8.812 8.230 0.220 0.203 0.432 309 Q N -1.361 118.463 119.800 0.040 0.000 2.046 309 Q HA -0.325 4.033 4.340 0.030 0.000 0.200 309 Q C 2.788 178.766 176.000 -0.037 0.000 0.975 309 Q CA 3.102 58.905 55.803 0.001 0.000 0.836 309 Q CB -0.631 28.087 28.738 -0.033 0.000 0.896 309 Q HN -0.364 7.913 8.270 0.012 0.000 0.428 310 D N 1.207 121.555 120.400 -0.087 0.000 2.084 310 D HA -0.241 4.335 4.640 -0.108 0.000 0.194 310 D C 2.534 178.748 176.300 -0.142 0.000 0.990 310 D CA 3.398 57.322 54.000 -0.126 0.000 0.826 310 D CB -0.296 40.386 40.800 -0.196 0.000 0.971 310 D HN 0.189 8.501 8.370 -0.097 0.000 0.453 311 L N -1.247 119.855 121.223 -0.201 0.000 2.093 311 L HA -0.267 3.880 4.340 -0.323 0.000 0.208 311 L C 2.280 178.996 176.870 -0.257 0.000 1.085 311 L CA 3.213 57.828 54.840 -0.374 0.000 0.755 311 L CB -0.350 41.187 42.059 -0.870 0.000 0.904 311 L HN 0.411 8.424 8.230 -0.170 0.115 0.435 312 S N -0.203 115.461 115.700 -0.061 0.000 2.370 312 S HA -0.391 4.183 4.470 0.173 0.000 0.226 312 S C 2.578 177.185 174.600 0.012 0.000 1.033 312 S CA 4.004 62.251 58.200 0.077 0.000 1.011 312 S CB -0.347 62.935 63.200 0.137 0.000 0.852 312 S HN 0.112 8.303 8.310 -0.024 0.105 0.457 313 G N 0.138 108.923 108.800 -0.025 0.000 2.394 313 G HA2 -0.206 3.746 3.960 -0.015 0.000 0.214 313 G HA3 -0.206 3.731 3.960 -0.040 0.000 0.214 313 G C 0.879 175.748 174.900 -0.051 0.000 1.176 313 G CA 1.380 46.461 45.100 -0.032 0.000 0.786 313 G HN -0.229 8.040 8.290 -0.035 0.000 0.533 314 R N 0.825 121.277 120.500 -0.080 0.000 2.073 314 R HA -0.295 4.002 4.340 -0.071 0.000 0.234 314 R C 2.908 179.164 176.300 -0.074 0.000 1.134 314 R CA 3.147 59.198 56.100 -0.083 0.000 0.952 314 R CB -0.045 30.192 30.300 -0.104 0.000 0.850 314 R HN -0.084 8.130 8.270 -0.095 0.000 0.433 315 I N -0.916 119.594 120.570 -0.100 0.000 2.546 315 I HA -0.302 3.824 4.170 -0.074 0.000 0.255 315 I C 1.295 177.398 176.117 -0.024 0.000 1.163 315 I CA 2.222 63.475 61.300 -0.079 0.000 1.457 315 I CB -1.049 36.873 38.000 -0.130 0.000 1.092 315 I HN 0.417 8.425 8.210 -0.135 0.121 0.434 316 S N -0.701 114.993 115.700 -0.011 0.000 2.393 316 S HA -0.346 4.139 4.470 0.025 0.000 0.234 316 S C 0.185 174.784 174.600 -0.002 0.000 1.064 316 S CA 2.846 61.050 58.200 0.006 0.000 1.088 316 S CB 0.178 63.378 63.200 0.000 0.000 0.939 316 S HN -0.353 7.810 8.310 -0.023 0.133 0.448 317 R N -1.278 119.214 120.500 -0.013 0.000 2.523 317 R HA 0.076 4.453 4.340 -0.012 -0.044 0.278 317 R C -1.913 174.382 176.300 -0.008 0.000 1.150 317 R CA -0.109 55.986 56.100 -0.009 0.000 0.987 317 R CB 2.135 32.434 30.300 -0.001 0.000 1.232 317 R HN -0.852 7.415 8.270 -0.022 -0.011 0.424 318 A N 8.334 131.146 122.820 -0.013 0.000 3.052 318 A HA 0.108 4.427 4.320 -0.002 0.000 0.266 318 A C -0.824 176.769 177.584 0.016 0.000 1.855 318 A CA 0.431 52.464 52.037 -0.007 0.000 1.473 318 A CB -1.258 17.722 19.000 -0.033 0.000 1.038 318 A HN 0.804 8.942 8.150 -0.021 0.000 0.619 319 R N 0.309 120.836 120.500 0.045 0.000 2.112 319 R HA -0.092 4.275 4.340 0.044 0.000 0.216 319 R C 0.749 177.132 176.300 0.138 0.000 1.080 319 R CA 1.642 57.788 56.100 0.077 0.000 0.996 319 R CB 0.473 30.822 30.300 0.083 0.000 0.902 319 R HN 0.084 8.323 8.270 0.038 0.055 0.449 320 H N 2.100 121.157 119.070 -0.022 0.000 2.745 320 H HA 0.163 4.709 4.556 -0.017 0.000 0.235 320 H C -0.641 174.675 175.328 -0.019 0.000 1.815 320 H CA -0.842 55.195 56.048 -0.019 0.000 1.321 320 H CB -0.918 28.832 29.762 -0.019 0.000 1.716 320 H HN 0.024 8.431 8.280 0.211 0.000 0.546 321 N N 4.101 122.803 118.700 0.003 0.000 1.405 321 N HA -0.433 4.297 4.740 -0.017 0.000 0.142 321 N C 0.161 175.676 175.510 0.009 0.000 0.378 321 N CA 2.970 56.012 53.050 -0.013 0.000 1.141 321 N CB -0.976 37.486 38.487 -0.042 0.000 1.420 321 N HN -0.222 8.094 8.380 -0.018 0.053 0.427 322 E N 0.890 121.096 120.200 0.011 0.000 2.512 322 E HA -0.032 4.325 4.350 0.012 0.000 0.195 322 E C 0.707 177.325 176.600 0.030 0.000 1.083 322 E CA -0.446 55.964 56.400 0.017 0.000 0.873 322 E CB -0.155 29.554 29.700 0.015 0.000 0.897 322 E HN 0.113 8.474 8.360 0.001 0.000 0.514 323 L N 0.000 121.256 121.223 0.054 0.000 2.949 323 L HA 0.000 4.425 4.340 0.099 -0.025 0.249 323 L CA 0.000 54.874 54.840 0.056 0.000 0.813 323 L CB 0.000 42.068 42.059 0.016 0.000 0.961 323 L HN 0.000 8.022 8.230 0.069 0.249 0.502