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 2j66_1_A DATA FIRST_RESID 4 DATA SEQUENCE DQAEITALTK RFETPFYLYD GDFIEAHYRQ LRSRTNPAIQ FYLSLKANNN DATA SEQUENCE IHLAKLFRQW GLGVEVASAG ELALARHAGF SAENIIFSGP GKKRSELEIA DATA SEQUENCE VQSGIYCIIA ESVEELFYIE ELAEKENKTA RVAIRINPDK SFXXTAIKMG DATA SEQUENCE GVPRQFGMDE SMLDAVMDAV RSLQFTKFIG IHVYTGTQNL NTDSIIESMK DATA SEQUENCE YTVDLGRNIY ERYGIVCECI NLGGGFGVPY FXXEKALDIG KITRTVSDYV DATA SEQUENCE QEARDTRFPQ TTFIIESGRY LLAQAAVYVT EVLYRKASKG EVFVIVDGGM DATA SEQUENCE HHHAASXXXX XXXXXXXPME YIPXXXXXXX XXLEKVTIAG PLCTPEDCLG DATA SEQUENCE KDVHVPALYP GDLVCVLNSG AYGLSFSPVH FLGHPTPIEI LKRNGSYELI DATA SEQUENCE RRKGTADDIV ATQLQ 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 4 D HA 0.000 4.640 4.640 0.000 0.000 0.175 4 D C 0.000 176.310 176.300 0.017 0.000 2.045 4 D CA 0.000 54.010 54.000 0.017 0.000 0.868 4 D CB 0.000 40.822 40.800 0.037 0.000 0.688 5 Q N 1.882 121.687 119.800 0.008 0.000 2.096 5 Q HA -0.161 4.185 4.340 0.011 0.000 0.204 5 Q C 1.986 177.995 176.000 0.016 0.000 0.982 5 Q CA 1.747 57.554 55.803 0.006 0.000 0.850 5 Q CB -0.009 28.733 28.738 0.006 0.000 0.901 5 Q HN 0.589 8.859 8.270 0.000 0.000 0.422 6 A N 1.409 124.242 122.820 0.021 0.000 1.908 6 A HA -0.276 4.051 4.320 0.011 0.000 0.218 6 A C 1.978 179.581 177.584 0.032 0.000 1.181 6 A CA 1.719 53.770 52.037 0.024 0.000 0.627 6 A CB -0.575 18.440 19.000 0.026 0.000 0.818 6 A HN 0.490 8.640 8.150 0.000 0.000 0.445 7 E N -0.109 120.118 120.200 0.045 0.000 2.051 7 E HA -0.177 4.180 4.350 0.011 0.000 0.192 7 E C 1.919 178.544 176.600 0.042 0.000 0.991 7 E CA 1.376 57.814 56.400 0.064 0.000 0.799 7 E CB -0.259 29.506 29.700 0.108 0.000 0.748 7 E HN 0.649 9.009 8.360 0.000 0.000 0.449 8 I N 0.920 121.519 120.570 0.048 0.000 2.179 8 I HA -0.257 3.919 4.170 0.011 0.000 0.242 8 I C 2.504 178.660 176.117 0.066 0.000 1.088 8 I CA 1.533 62.872 61.300 0.065 0.000 1.357 8 I CB -0.491 37.525 38.000 0.026 0.000 1.051 8 I HN 0.197 8.407 8.210 0.000 0.000 0.409 9 T N 0.895 115.468 114.554 0.032 0.000 2.684 9 T HA -0.193 4.163 4.350 0.011 0.000 0.267 9 T C 2.061 176.777 174.700 0.027 0.000 1.036 9 T CA 1.560 63.675 62.100 0.024 0.000 1.148 9 T CB -0.384 68.492 68.868 0.013 0.000 0.863 9 T HN 0.493 8.733 8.240 0.000 0.000 0.436 10 A N 0.992 123.821 122.820 0.014 0.000 1.972 10 A HA 0.017 4.343 4.320 0.011 0.000 0.219 10 A C 2.302 179.869 177.584 -0.028 0.000 1.169 10 A CA 1.163 53.195 52.037 -0.009 0.000 0.635 10 A CB -0.823 18.171 19.000 -0.010 0.000 0.810 10 A HN 0.483 8.633 8.150 0.000 0.000 0.446 11 L N -0.115 121.102 121.223 -0.011 0.000 2.093 11 L HA -0.138 4.208 4.340 0.011 0.000 0.208 11 L C 2.887 179.839 176.870 0.137 0.000 1.085 11 L CA 1.690 56.530 54.840 -0.001 0.000 0.755 11 L CB -0.682 41.362 42.059 -0.025 0.000 0.904 11 L HN 0.649 8.879 8.230 0.000 0.000 0.435 12 T N -3.665 111.020 114.554 0.218 0.000 3.051 12 T HA -0.095 4.261 4.350 0.011 0.000 0.269 12 T C 1.690 176.452 174.700 0.104 0.000 1.127 12 T CA 0.519 62.776 62.100 0.261 0.000 1.107 12 T CB -0.112 68.843 68.868 0.145 0.000 0.898 12 T HN 0.134 8.374 8.240 0.000 0.000 0.517 13 K N 1.182 121.594 120.400 0.021 0.000 2.243 13 K HA 0.193 4.519 4.320 0.011 0.000 0.201 13 K C 2.236 178.774 176.600 -0.102 0.000 1.051 13 K CA 0.558 56.825 56.287 -0.033 0.000 0.970 13 K CB -0.010 32.464 32.500 -0.043 0.000 0.755 13 K HN 0.469 8.719 8.250 0.000 0.000 0.465 14 R N -0.862 119.521 120.500 -0.194 0.000 2.225 14 R HA 0.206 4.552 4.340 0.011 0.000 0.194 14 R C -0.093 175.824 176.300 -0.638 0.000 0.957 14 R CA 0.119 55.948 56.100 -0.452 0.000 1.042 14 R CB 0.424 30.335 30.300 -0.649 0.000 1.004 14 R HN -0.050 8.220 8.270 0.000 0.000 0.509 15 F N 1.278 121.168 119.950 -0.100 0.000 2.507 15 F HA 0.260 4.792 4.527 0.009 0.000 0.325 15 F C 0.112 175.970 175.800 0.098 0.000 1.116 15 F CA -1.538 56.394 58.000 -0.112 0.000 0.930 15 F CB 1.554 40.278 39.000 -0.461 0.000 1.146 15 F HN -0.157 8.143 8.300 0.000 0.000 0.447 16 E N 2.261 122.637 120.200 0.292 0.000 2.324 16 E HA 0.213 4.569 4.350 0.011 0.000 0.271 16 E C -0.269 176.544 176.600 0.354 0.000 1.028 16 E CA -0.381 56.172 56.400 0.255 0.000 0.890 16 E CB 0.786 30.587 29.700 0.170 0.000 1.004 16 E HN 0.700 9.060 8.360 0.000 0.000 0.431 17 T N 2.731 117.408 114.554 0.204 0.000 2.882 17 T HA 0.400 4.756 4.350 0.011 0.000 0.287 17 T C -2.195 172.516 174.700 0.019 0.000 1.014 17 T CA -1.621 60.470 62.100 -0.014 0.000 1.049 17 T CB 1.245 69.967 68.868 -0.244 0.000 1.001 17 T HN 0.360 8.600 8.240 0.000 0.000 0.525 18 P HA 0.442 4.862 4.420 0.000 0.000 0.282 18 P C -1.123 176.088 177.300 -0.148 0.000 1.249 18 P CA -0.474 62.437 63.100 -0.316 0.000 0.806 18 P CB 0.485 32.006 31.700 -0.299 0.000 0.984 19 F N -0.453 119.306 119.950 -0.318 0.000 2.662 19 F HA 0.586 5.119 4.527 0.011 0.000 0.312 19 F C -1.807 173.868 175.800 -0.208 0.000 1.113 19 F CA -1.847 56.063 58.000 -0.149 0.000 0.951 19 F CB 0.587 39.534 39.000 -0.089 0.000 1.344 19 F HN 0.112 8.412 8.300 0.000 0.000 0.462 20 Y N 1.884 122.378 120.300 0.322 0.000 2.330 20 Y HA 0.641 5.197 4.550 0.010 0.000 0.336 20 Y C -0.633 175.308 175.900 0.069 0.000 1.036 20 Y CA -0.739 57.434 58.100 0.120 0.000 1.125 20 Y CB 1.914 40.396 38.460 0.037 0.000 1.194 20 Y HN 0.704 8.984 8.280 0.000 0.000 0.469 21 L N 5.114 126.387 121.223 0.083 0.000 2.325 21 L HA 0.533 4.879 4.340 0.011 0.000 0.281 21 L C -1.953 174.847 176.870 -0.116 0.000 1.004 21 L CA -0.949 53.920 54.840 0.047 0.000 0.823 21 L CB 0.397 42.542 42.059 0.145 0.000 1.236 21 L HN 0.450 8.680 8.230 0.000 0.000 0.415 22 Y N 2.784 123.145 120.300 0.102 0.000 2.341 22 Y HA 0.374 4.930 4.550 0.011 0.000 0.337 22 Y C 0.049 176.001 175.900 0.087 0.000 1.014 22 Y CA -0.537 57.620 58.100 0.094 0.000 1.111 22 Y CB 1.434 39.941 38.460 0.079 0.000 1.194 22 Y HN 0.533 8.813 8.280 0.000 0.000 0.462 23 D N 2.541 123.075 120.400 0.222 0.000 2.441 23 D HA 0.131 4.777 4.640 0.011 0.000 0.221 23 D C 1.092 177.529 176.300 0.230 0.000 1.156 23 D CA 0.065 54.175 54.000 0.183 0.000 0.896 23 D CB 1.130 42.010 40.800 0.132 0.000 1.028 23 D HN 0.908 9.278 8.370 0.000 0.000 0.509 24 G N 3.207 112.107 108.800 0.167 0.000 2.448 24 G HA2 -0.237 3.730 3.960 0.011 0.000 0.219 24 G HA3 -0.237 3.730 3.960 0.011 0.000 0.219 24 G C 1.151 176.134 174.900 0.139 0.000 1.127 24 G CA 0.265 45.451 45.100 0.142 0.000 0.766 24 G HN 0.449 8.739 8.290 0.000 0.000 0.552 25 D N 0.161 120.630 120.400 0.116 0.000 2.117 25 D HA -0.099 4.547 4.640 0.011 0.000 0.198 25 D C 1.949 178.305 176.300 0.094 0.000 0.982 25 D CA 0.524 54.573 54.000 0.081 0.000 0.828 25 D CB -0.279 40.559 40.800 0.064 0.000 0.967 25 D HN 0.344 8.714 8.370 0.000 0.000 0.464 26 F N 1.765 121.728 119.950 0.023 0.000 2.113 26 F HA -0.093 4.440 4.527 0.010 0.000 0.297 26 F C 2.230 178.061 175.800 0.051 0.000 1.103 26 F CA 0.916 58.927 58.000 0.017 0.000 1.248 26 F CB -0.290 38.708 39.000 -0.004 0.000 0.999 26 F HN -0.181 8.119 8.300 0.000 0.000 0.475 27 I N 0.351 120.998 120.570 0.129 0.000 2.151 27 I HA -0.344 3.832 4.170 0.011 0.000 0.243 27 I C 2.533 178.627 176.117 -0.039 0.000 1.080 27 I CA 2.092 63.455 61.300 0.103 0.000 1.339 27 I CB -0.672 37.459 38.000 0.219 0.000 1.039 27 I HN 0.288 8.498 8.210 0.000 0.000 0.409 28 E N 0.977 121.104 120.200 -0.122 0.000 2.047 28 E HA -0.226 4.131 4.350 0.011 0.000 0.191 28 E C 2.296 178.641 176.600 -0.425 0.000 0.987 28 E CA 1.265 57.331 56.400 -0.557 0.000 0.799 28 E CB -0.036 29.396 29.700 -0.446 0.000 0.752 28 E HN 0.477 8.837 8.360 0.000 0.000 0.449 29 A N 0.394 123.039 122.820 -0.292 0.000 1.877 29 A HA -0.245 4.081 4.320 0.011 0.000 0.216 29 A C 1.977 179.380 177.584 -0.302 0.000 1.186 29 A CA 2.006 53.883 52.037 -0.266 0.000 0.620 29 A CB -0.980 17.909 19.000 -0.185 0.000 0.822 29 A HN 0.471 8.621 8.150 0.000 0.000 0.443 30 H N -2.007 116.737 119.070 -0.542 0.000 2.319 30 H HA -0.226 4.337 4.556 0.010 0.000 0.299 30 H C 1.837 176.992 175.328 -0.289 0.000 1.092 30 H CA 2.335 58.058 56.048 -0.542 0.000 1.302 30 H CB -0.474 28.742 29.762 -0.910 0.000 1.373 30 H HN 0.626 8.906 8.280 0.000 0.000 0.497 31 Y N 0.843 120.970 120.300 -0.289 0.000 2.163 31 Y HA -0.134 4.423 4.550 0.012 0.000 0.288 31 Y C 2.501 178.219 175.900 -0.302 0.000 1.136 31 Y CA 1.589 59.536 58.100 -0.255 0.000 1.147 31 Y CB -0.124 38.264 38.460 -0.119 0.000 0.987 31 Y HN 0.050 8.330 8.280 0.000 0.000 0.509 32 R N 0.194 120.300 120.500 -0.658 0.000 2.120 32 R HA -0.187 4.159 4.340 0.011 0.000 0.234 32 R C 2.248 178.267 176.300 -0.468 0.000 1.123 32 R CA 1.853 57.568 56.100 -0.641 0.000 0.975 32 R CB -0.308 29.745 30.300 -0.412 0.000 0.866 32 R HN 0.572 8.842 8.270 0.000 0.000 0.446 33 Q N 0.278 119.853 119.800 -0.375 0.000 2.119 33 Q HA -0.152 4.194 4.340 0.011 0.000 0.201 33 Q C 2.120 177.963 176.000 -0.261 0.000 0.972 33 Q CA 1.062 56.709 55.803 -0.261 0.000 0.847 33 Q CB -0.125 28.488 28.738 -0.209 0.000 0.903 33 Q HN 0.191 8.461 8.270 0.000 0.000 0.433 34 L N 0.887 121.897 121.223 -0.356 0.000 2.027 34 L HA -0.152 4.195 4.340 0.011 0.000 0.206 34 L C 2.365 179.074 176.870 -0.268 0.000 1.074 34 L CA 1.762 56.425 54.840 -0.296 0.000 0.745 34 L CB -0.369 41.466 42.059 -0.374 0.000 0.898 34 L HN -0.013 8.217 8.230 0.000 0.000 0.433 35 R N 0.178 120.385 120.500 -0.490 0.000 2.083 35 R HA -0.163 4.183 4.340 0.011 0.000 0.237 35 R C 2.489 178.740 176.300 -0.080 0.000 1.137 35 R CA 2.039 57.989 56.100 -0.250 0.000 0.951 35 R CB -1.033 28.924 30.300 -0.573 0.000 0.851 35 R HN 0.694 8.964 8.270 0.000 0.000 0.434 36 S N -0.219 115.389 115.700 -0.154 0.000 2.399 36 S HA -0.137 4.339 4.470 0.011 0.000 0.231 36 S C 1.780 176.357 174.600 -0.038 0.000 1.022 36 S CA 1.136 59.285 58.200 -0.086 0.000 0.983 36 S CB -0.299 62.836 63.200 -0.108 0.000 0.803 36 S HN 0.453 8.763 8.310 0.000 0.000 0.480 37 R N 0.968 121.450 120.500 -0.030 0.000 2.317 37 R HA 0.219 4.565 4.340 0.011 0.000 0.208 37 R C -0.244 176.080 176.300 0.040 0.000 0.914 37 R CA 0.314 56.412 56.100 -0.003 0.000 1.060 37 R CB 0.182 30.472 30.300 -0.017 0.000 1.015 37 R HN 0.325 8.595 8.270 0.000 0.000 0.498 38 T N 0.719 115.324 114.554 0.086 0.000 2.823 38 T HA 0.106 4.462 4.350 0.011 0.000 0.279 38 T C -0.255 174.479 174.700 0.056 0.000 0.998 38 T CA -0.784 61.385 62.100 0.114 0.000 0.994 38 T CB 1.594 70.635 68.868 0.289 0.000 0.960 38 T HN 0.067 8.307 8.240 0.000 0.000 0.448 39 N N 4.167 122.872 118.700 0.008 0.000 2.292 39 N HA -0.047 4.699 4.740 0.011 0.000 0.258 39 N C -1.233 174.277 175.510 -0.001 0.000 1.261 39 N CA -1.166 51.875 53.050 -0.015 0.000 0.845 39 N CB 1.010 39.459 38.487 -0.063 0.000 1.064 39 N HN 0.306 8.686 8.380 0.000 0.000 0.471 40 P HA -0.103 4.317 4.420 0.000 0.000 0.225 40 P C 0.574 177.899 177.300 0.042 0.000 1.148 40 P CA 0.871 63.994 63.100 0.038 0.000 0.779 40 P CB 0.094 31.816 31.700 0.037 0.000 0.780 41 A N -0.474 122.367 122.820 0.035 0.000 2.167 41 A HA 0.055 4.382 4.320 0.011 0.000 0.214 41 A C 1.354 179.007 177.584 0.116 0.000 1.151 41 A CA 0.286 52.376 52.037 0.088 0.000 0.735 41 A CB -0.788 18.271 19.000 0.099 0.000 0.802 41 A HN 0.178 8.328 8.150 0.000 0.000 0.467 42 I N 0.279 120.860 120.570 0.018 0.000 2.331 42 I HA 0.220 4.396 4.170 0.011 0.000 0.292 42 I C 0.099 176.143 176.117 -0.121 0.000 0.998 42 I CA -0.268 61.002 61.300 -0.050 0.000 1.267 42 I CB 1.504 39.389 38.000 -0.192 0.000 1.386 42 I HN 0.296 8.506 8.210 0.000 0.000 0.476 43 Q N 5.929 125.683 119.800 -0.077 0.000 2.312 43 Q HA 0.458 4.804 4.340 0.011 0.000 0.263 43 Q C -1.512 174.472 176.000 -0.026 0.000 0.995 43 Q CA -0.681 55.130 55.803 0.013 0.000 0.853 43 Q CB 1.508 30.328 28.738 0.137 0.000 1.300 43 Q HN 0.425 8.695 8.270 0.000 0.000 0.448 44 F N 2.525 122.617 119.950 0.236 0.000 2.384 44 F HA 0.313 4.846 4.527 0.010 0.000 0.338 44 F C -0.596 175.326 175.800 0.202 0.000 1.103 44 F CA -0.041 58.094 58.000 0.225 0.000 1.157 44 F CB 0.663 39.827 39.000 0.274 0.000 1.167 44 F HN 0.482 8.782 8.300 0.000 0.000 0.529 45 Y N 3.028 123.409 120.300 0.135 0.000 2.350 45 Y HA 0.436 4.992 4.550 0.011 0.000 0.338 45 Y C -0.546 175.307 175.900 -0.079 0.000 0.961 45 Y CA -1.208 56.886 58.100 -0.009 0.000 1.100 45 Y CB 1.693 40.103 38.460 -0.084 0.000 1.179 45 Y HN 0.409 8.689 8.280 0.000 0.000 0.454 46 L N 3.468 124.610 121.223 -0.136 0.000 2.367 46 L HA 0.389 4.736 4.340 0.011 0.000 0.275 46 L C 0.223 176.968 176.870 -0.208 0.000 1.129 46 L CA 0.343 55.020 54.840 -0.272 0.000 0.839 46 L CB 0.924 42.726 42.059 -0.428 0.000 1.133 46 L HN 0.566 8.796 8.230 0.000 0.000 0.453 47 S N 4.496 120.092 115.700 -0.173 0.000 2.416 47 S HA 0.176 4.652 4.470 0.011 0.000 0.287 47 S C 0.992 175.490 174.600 -0.171 0.000 1.139 47 S CA -0.667 57.450 58.200 -0.140 0.000 1.058 47 S CB 0.216 63.359 63.200 -0.095 0.000 0.967 47 S HN 0.752 9.062 8.310 0.000 0.000 0.495 48 L N 6.451 127.571 121.223 -0.173 0.000 2.191 48 L HA -0.010 4.337 4.340 0.011 0.000 0.212 48 L C 2.385 179.177 176.870 -0.130 0.000 1.103 48 L CA 1.922 56.665 54.840 -0.161 0.000 0.769 48 L CB -0.544 41.416 42.059 -0.164 0.000 0.908 48 L HN 0.859 9.089 8.230 0.000 0.000 0.438 49 K N -1.037 119.309 120.400 -0.090 0.000 2.360 49 K HA -0.061 4.265 4.320 0.011 0.000 0.201 49 K C 1.759 178.264 176.600 -0.158 0.000 1.046 49 K CA 1.217 57.483 56.287 -0.035 0.000 0.945 49 K CB -0.444 32.101 32.500 0.075 0.000 0.750 49 K HN 0.239 8.489 8.250 0.000 0.000 0.464 50 A N 1.235 123.835 122.820 -0.366 0.000 2.015 50 A HA -0.071 4.255 4.320 0.011 0.000 0.219 50 A C 0.647 177.919 177.584 -0.521 0.000 1.163 50 A CA 0.901 52.400 52.037 -0.897 0.000 0.646 50 A CB -0.201 18.384 19.000 -0.691 0.000 0.806 50 A HN 0.516 8.666 8.150 0.000 0.000 0.448 51 N N -0.627 117.912 118.700 -0.268 0.000 2.839 51 N HA -0.017 4.729 4.740 0.011 0.000 0.258 51 N C -1.085 174.352 175.510 -0.121 0.000 1.150 51 N CA -0.137 52.815 53.050 -0.164 0.000 0.957 51 N CB 0.661 39.074 38.487 -0.123 0.000 1.560 51 N HN 0.229 8.609 8.380 0.000 0.000 0.588 52 N N 2.135 120.779 118.700 -0.095 0.000 2.362 52 N HA -0.031 4.715 4.740 0.011 0.000 0.204 52 N C -0.327 175.132 175.510 -0.086 0.000 1.166 52 N CA -0.121 52.882 53.050 -0.078 0.000 0.831 52 N CB -0.173 38.283 38.487 -0.052 0.000 1.008 52 N HN 0.389 8.769 8.380 0.000 0.000 0.472 53 N N 1.809 120.445 118.700 -0.106 0.000 2.411 53 N HA 0.031 4.778 4.740 0.011 0.000 0.259 53 N C 1.397 176.828 175.510 -0.131 0.000 1.103 53 N CA -0.280 52.701 53.050 -0.115 0.000 0.954 53 N CB 0.785 39.181 38.487 -0.152 0.000 1.085 53 N HN 0.339 8.719 8.380 0.000 0.000 0.485 54 I N 1.594 122.047 120.570 -0.196 0.000 2.567 54 I HA -0.177 3.999 4.170 0.011 0.000 0.257 54 I C 1.220 177.154 176.117 -0.304 0.000 1.184 54 I CA 0.942 62.099 61.300 -0.238 0.000 1.451 54 I CB -0.303 37.515 38.000 -0.303 0.000 1.089 54 I HN 0.446 8.656 8.210 0.000 0.000 0.441 55 H N 1.665 120.660 119.070 -0.126 0.000 2.428 55 H HA 0.077 4.638 4.556 0.009 0.000 0.296 55 H C 2.372 177.578 175.328 -0.203 0.000 1.062 55 H CA 1.442 57.395 56.048 -0.158 0.000 1.350 55 H CB 0.047 29.719 29.762 -0.150 0.000 1.403 55 H HN 0.433 8.713 8.280 0.000 0.000 0.533 56 L N 0.081 121.239 121.223 -0.107 0.000 2.095 56 L HA -0.014 4.333 4.340 0.011 0.000 0.204 56 L C 2.906 179.740 176.870 -0.059 0.000 1.080 56 L CA 0.756 55.504 54.840 -0.154 0.000 0.759 56 L CB -0.481 41.470 42.059 -0.180 0.000 0.914 56 L HN 0.159 8.389 8.230 0.000 0.000 0.439 57 A N 0.467 123.306 122.820 0.030 0.000 1.940 57 A HA -0.273 4.053 4.320 0.011 0.000 0.219 57 A C 2.387 179.979 177.584 0.013 0.000 1.176 57 A CA 2.061 54.214 52.037 0.194 0.000 0.631 57 A CB -0.489 18.629 19.000 0.197 0.000 0.814 57 A HN 0.353 8.503 8.150 0.000 0.000 0.446 58 K N -0.178 120.107 120.400 -0.192 0.000 2.103 58 K HA -0.112 4.215 4.320 0.011 0.000 0.207 58 K C 1.831 178.095 176.600 -0.560 0.000 1.048 58 K CA 1.397 57.457 56.287 -0.377 0.000 0.930 58 K CB -0.346 31.983 32.500 -0.285 0.000 0.716 58 K HN 0.502 8.752 8.250 0.000 0.000 0.444 59 L N -0.025 120.798 121.223 -0.666 0.000 2.012 59 L HA -0.194 4.152 4.340 0.011 0.000 0.210 59 L C 2.329 178.186 176.870 -1.689 0.000 1.073 59 L CA 1.420 55.504 54.840 -1.259 0.000 0.748 59 L CB -0.547 40.695 42.059 -1.362 0.000 0.891 59 L HN 0.142 8.372 8.230 0.000 0.000 0.431 60 F N -0.399 119.033 119.950 -0.862 0.000 2.171 60 F HA -0.158 4.375 4.527 0.010 0.000 0.300 60 F C 2.798 178.333 175.800 -0.442 0.000 1.090 60 F CA 1.116 58.816 58.000 -0.499 0.000 1.293 60 F CB -0.550 38.371 39.000 -0.133 0.000 1.013 60 F HN -0.006 8.294 8.300 0.000 0.000 0.486 61 R N 1.098 121.294 120.500 -0.508 0.000 2.091 61 R HA -0.189 4.157 4.340 0.011 0.000 0.238 61 R C 1.916 177.914 176.300 -0.504 0.000 1.136 61 R CA 1.869 57.448 56.100 -0.868 0.000 0.959 61 R CB -0.631 28.735 30.300 -1.557 0.000 0.856 61 R HN 0.373 8.643 8.270 0.000 0.000 0.437 62 Q N -1.137 118.329 119.800 -0.556 0.000 2.226 62 Q HA -0.147 4.199 4.340 0.011 0.000 0.204 62 Q C 1.453 177.349 176.000 -0.173 0.000 0.975 62 Q CA 1.174 56.739 55.803 -0.397 0.000 0.866 62 Q CB -0.042 28.409 28.738 -0.479 0.000 0.915 62 Q HN 0.442 8.712 8.270 0.000 0.000 0.440 63 W N -0.552 120.662 121.300 -0.143 0.000 3.180 63 W HA 0.261 4.929 4.660 0.013 0.000 0.254 63 W C 1.102 177.620 176.519 -0.003 0.000 1.318 63 W CA 0.915 58.219 57.345 -0.068 0.000 1.608 63 W CB -0.064 29.307 29.460 -0.149 0.000 1.124 63 W HN 0.321 8.501 8.180 0.000 0.000 0.694 64 G N -0.235 108.636 108.800 0.119 0.000 2.179 64 G HA2 -0.249 3.718 3.960 0.011 0.000 0.220 64 G HA3 -0.249 3.718 3.960 0.011 0.000 0.220 64 G C -0.095 174.865 174.900 0.100 0.000 0.990 64 G CA -0.455 44.706 45.100 0.101 0.000 0.646 64 G HN 0.030 8.320 8.290 0.000 0.000 0.517 65 L N 1.091 122.380 121.223 0.109 0.000 2.453 65 L HA 0.659 5.006 4.340 0.011 0.000 0.261 65 L C 1.505 178.348 176.870 -0.044 0.000 1.179 65 L CA 0.889 55.776 54.840 0.078 0.000 0.813 65 L CB 0.565 42.694 42.059 0.115 0.000 1.110 65 L HN 0.261 8.491 8.230 0.000 0.000 0.466 66 G N -0.158 108.294 108.800 -0.580 0.000 2.557 66 G HA2 0.566 4.532 3.960 0.011 0.000 0.302 66 G HA3 0.566 4.532 3.960 0.011 0.000 0.302 66 G C -1.410 172.838 174.900 -1.087 0.000 1.311 66 G CA -0.356 43.989 45.100 -1.257 0.000 1.030 66 G HN 0.503 8.793 8.290 0.000 0.000 0.509 67 V N -0.702 118.609 119.914 -1.005 0.000 2.760 67 V HA 0.585 4.711 4.120 0.011 0.000 0.309 67 V C -1.157 174.838 176.094 -0.164 0.000 1.077 67 V CA -0.871 60.985 62.300 -0.740 0.000 0.910 67 V CB 1.903 32.807 31.823 -1.531 0.000 1.008 67 V HN 0.760 8.950 8.190 0.000 0.000 0.424 68 E N 5.387 125.546 120.200 -0.068 0.000 2.113 68 E HA 0.494 4.850 4.350 0.011 0.000 0.273 68 E C -1.005 175.535 176.600 -0.100 0.000 0.924 68 E CA -0.352 56.041 56.400 -0.012 0.000 0.764 68 E CB 1.736 31.427 29.700 -0.016 0.000 1.104 68 E HN 0.762 9.122 8.360 0.000 0.000 0.406 69 V N 1.115 120.967 119.914 -0.103 0.000 2.732 69 V HA 0.821 4.948 4.120 0.011 0.000 0.310 69 V C 0.334 176.377 176.094 -0.084 0.000 1.053 69 V CA -0.129 62.070 62.300 -0.169 0.000 0.957 69 V CB 1.444 33.079 31.823 -0.313 0.000 1.018 69 V HN 0.627 8.817 8.190 0.000 0.000 0.452 70 A N 2.281 125.061 122.820 -0.067 0.000 2.571 70 A HA 0.760 5.086 4.320 0.011 0.000 0.274 70 A C 0.641 178.340 177.584 0.191 0.000 1.196 70 A CA 0.458 52.579 52.037 0.140 0.000 0.957 70 A CB -0.434 18.637 19.000 0.117 0.000 1.150 70 A HN 1.805 9.955 8.150 0.000 0.000 0.539 71 S N -3.123 112.477 115.700 -0.167 0.000 2.611 71 S HA 0.601 5.077 4.470 0.011 0.000 0.268 71 S C 0.696 175.061 174.600 -0.392 0.000 1.156 71 S CA 0.088 58.242 58.200 -0.077 0.000 0.817 71 S CB 0.889 64.102 63.200 0.022 0.000 1.122 71 S HN 1.076 9.386 8.310 0.000 0.000 0.466 72 A N 0.787 123.529 122.820 -0.130 0.000 2.015 72 A HA 0.293 4.619 4.320 0.011 0.000 0.219 72 A C 2.004 179.520 177.584 -0.113 0.000 1.163 72 A CA 1.808 53.766 52.037 -0.132 0.000 0.646 72 A CB -1.569 17.447 19.000 0.026 0.000 0.806 72 A HN 1.416 9.566 8.150 0.000 0.000 0.448 73 G N -0.328 108.431 108.800 -0.068 0.000 2.421 73 G HA2 -0.207 3.759 3.960 0.011 0.000 0.216 73 G HA3 -0.207 3.759 3.960 0.011 0.000 0.216 73 G C 1.416 176.276 174.900 -0.067 0.000 1.171 73 G CA 0.910 45.986 45.100 -0.039 0.000 0.775 73 G HN 0.628 8.918 8.290 0.000 0.000 0.543 74 E N -0.293 119.838 120.200 -0.116 0.000 2.150 74 E HA -0.073 4.283 4.350 0.011 0.000 0.193 74 E C 2.375 178.875 176.600 -0.167 0.000 0.985 74 E CA 0.459 56.780 56.400 -0.132 0.000 0.814 74 E CB -0.113 29.495 29.700 -0.153 0.000 0.752 74 E HN 0.349 8.709 8.360 0.000 0.000 0.466 75 L N 0.999 122.077 121.223 -0.241 0.000 2.046 75 L HA -0.128 4.218 4.340 0.011 0.000 0.208 75 L C 2.176 178.978 176.870 -0.113 0.000 1.077 75 L CA 1.994 56.701 54.840 -0.222 0.000 0.747 75 L CB -0.583 41.308 42.059 -0.279 0.000 0.896 75 L HN 0.000 8.230 8.230 0.000 0.000 0.432 76 A N -0.432 122.342 122.820 -0.078 0.000 1.902 76 A HA -0.146 4.181 4.320 0.011 0.000 0.217 76 A C 2.254 179.869 177.584 0.052 0.000 1.181 76 A CA 1.914 53.931 52.037 -0.034 0.000 0.623 76 A CB -0.892 18.114 19.000 0.010 0.000 0.818 76 A HN 0.509 8.659 8.150 0.000 0.000 0.443 77 L N -0.771 120.496 121.223 0.074 0.000 2.083 77 L HA -0.208 4.139 4.340 0.011 0.000 0.209 77 L C 3.095 180.016 176.870 0.086 0.000 1.083 77 L CA 1.057 55.962 54.840 0.108 0.000 0.752 77 L CB -0.628 41.437 42.059 0.009 0.000 0.899 77 L HN 0.448 8.678 8.230 0.000 0.000 0.433 78 A N -0.187 122.643 122.820 0.017 0.000 1.902 78 A HA -0.179 4.147 4.320 0.011 0.000 0.217 78 A C 2.376 180.053 177.584 0.156 0.000 1.181 78 A CA 1.296 53.371 52.037 0.064 0.000 0.623 78 A CB -0.360 18.573 19.000 -0.112 0.000 0.818 78 A HN 0.239 8.389 8.150 0.000 0.000 0.443 79 R N -0.927 119.595 120.500 0.036 0.000 2.115 79 R HA -0.079 4.267 4.340 0.011 0.000 0.230 79 R C 1.879 178.157 176.300 -0.036 0.000 1.111 79 R CA 1.655 57.746 56.100 -0.014 0.000 0.976 79 R CB -1.033 29.211 30.300 -0.092 0.000 0.870 79 R HN 0.806 9.076 8.270 0.000 0.000 0.445 80 H N 0.131 119.188 119.070 -0.021 0.000 2.387 80 H HA -0.019 4.541 4.556 0.008 0.000 0.299 80 H C 1.673 176.953 175.328 -0.080 0.000 1.090 80 H CA 1.550 57.565 56.048 -0.055 0.000 1.332 80 H CB 0.132 29.850 29.762 -0.073 0.000 1.386 80 H HN 0.263 8.543 8.280 0.000 0.000 0.516 81 A N -0.286 122.583 122.820 0.082 0.000 2.235 81 A HA 0.226 4.553 4.320 0.011 0.000 0.208 81 A C 1.941 179.427 177.584 -0.163 0.000 1.172 81 A CA 0.920 52.939 52.037 -0.030 0.000 0.786 81 A CB -0.437 18.619 19.000 0.094 0.000 0.804 81 A HN 0.584 8.734 8.150 0.000 0.000 0.479 82 G N -2.057 106.689 108.800 -0.090 0.000 2.157 82 G HA2 -0.246 3.720 3.960 0.011 0.000 0.248 82 G HA3 -0.246 3.720 3.960 0.011 0.000 0.248 82 G C -0.021 174.768 174.900 -0.185 0.000 0.979 82 G CA -0.010 44.996 45.100 -0.156 0.000 0.650 82 G HN 0.319 8.609 8.290 0.000 0.000 0.529 83 F N 2.717 122.608 119.950 -0.098 0.000 2.538 83 F HA 0.446 4.978 4.527 0.009 0.000 0.371 83 F C 1.575 177.325 175.800 -0.082 0.000 1.087 83 F CA 0.417 58.355 58.000 -0.104 0.000 1.250 83 F CB 0.901 39.831 39.000 -0.116 0.000 1.110 83 F HN 0.292 8.592 8.300 0.000 0.000 0.570 84 S N 2.421 118.172 115.700 0.086 0.000 2.593 84 S HA 0.418 4.894 4.470 0.011 0.000 0.269 84 S C 1.124 175.764 174.600 0.067 0.000 1.334 84 S CA -0.488 57.738 58.200 0.044 0.000 1.015 84 S CB 1.403 64.610 63.200 0.011 0.000 0.912 84 S HN 0.812 9.122 8.310 0.000 0.000 0.541 85 A N 1.422 124.273 122.820 0.053 0.000 1.940 85 A HA -0.168 4.158 4.320 0.011 0.000 0.219 85 A C 2.123 179.767 177.584 0.100 0.000 1.176 85 A CA 1.693 53.772 52.037 0.069 0.000 0.631 85 A CB -1.197 17.839 19.000 0.060 0.000 0.814 85 A HN 1.046 9.196 8.150 0.000 0.000 0.446 86 E N -0.453 119.793 120.200 0.077 0.000 2.472 86 E HA -0.127 4.230 4.350 0.011 0.000 0.200 86 E C 0.559 177.145 176.600 -0.023 0.000 1.046 86 E CA 1.229 57.670 56.400 0.069 0.000 0.871 86 E CB -0.482 29.231 29.700 0.021 0.000 0.806 86 E HN 0.762 9.122 8.360 0.000 0.000 0.533 87 N N 0.347 119.060 118.700 0.021 0.000 2.282 87 N HA 0.294 5.040 4.740 0.011 0.000 0.240 87 N C -0.990 174.530 175.510 0.016 0.000 1.182 87 N CA -0.238 52.798 53.050 -0.022 0.000 0.874 87 N CB 0.764 39.233 38.487 -0.030 0.000 1.126 87 N HN 0.079 8.459 8.380 0.000 0.000 0.516 88 I N 2.133 122.788 120.570 0.141 0.000 2.465 88 I HA 0.444 4.621 4.170 0.011 0.000 0.291 88 I C -0.604 175.651 176.117 0.231 0.000 1.014 88 I CA -1.032 60.340 61.300 0.120 0.000 1.093 88 I CB 1.682 39.700 38.000 0.029 0.000 1.267 88 I HN -0.032 8.178 8.210 0.000 0.000 0.431 89 I N 2.253 122.954 120.570 0.219 0.000 2.646 89 I HA 0.571 4.747 4.170 0.011 0.000 0.299 89 I C -1.597 174.614 176.117 0.157 0.000 1.036 89 I CA -0.676 60.716 61.300 0.152 0.000 1.074 89 I CB 2.574 40.578 38.000 0.007 0.000 1.258 89 I HN 0.338 8.548 8.210 0.000 0.000 0.430 90 F N 4.586 124.531 119.950 -0.008 0.000 2.375 90 F HA 0.624 5.158 4.527 0.012 0.000 0.361 90 F C -0.062 175.744 175.800 0.010 0.000 1.117 90 F CA -0.883 57.117 58.000 -0.000 0.000 1.037 90 F CB 1.364 40.371 39.000 0.010 0.000 1.192 90 F HN 0.685 8.985 8.300 0.000 0.000 0.452 91 S N 3.530 119.503 115.700 0.454 0.000 2.681 91 S HA 0.946 5.422 4.470 0.011 0.000 0.299 91 S C -0.392 174.356 174.600 0.246 0.000 1.113 91 S CA 0.194 58.536 58.200 0.237 0.000 1.013 91 S CB 1.442 64.740 63.200 0.163 0.000 1.076 91 S HN 1.414 9.724 8.310 0.000 0.000 0.534 92 G N 2.305 111.198 108.800 0.155 0.000 2.312 92 G HA2 0.186 4.153 3.960 0.011 0.000 0.322 92 G HA3 0.186 4.153 3.960 0.011 0.000 0.322 92 G C -2.858 172.127 174.900 0.141 0.000 1.645 92 G CA -0.414 44.792 45.100 0.177 0.000 0.919 92 G HN 0.443 8.733 8.290 0.000 0.000 0.699 93 P HA 0.186 4.606 4.420 0.000 0.000 0.240 93 P C 1.026 178.359 177.300 0.054 0.000 1.190 93 P CA 1.187 64.356 63.100 0.115 0.000 0.781 93 P CB 0.819 32.559 31.700 0.066 0.000 0.931 94 G N 0.455 109.296 108.800 0.069 0.000 4.855 94 G HA2 0.163 4.129 3.960 0.011 0.000 0.275 94 G HA3 0.163 4.129 3.960 0.011 0.000 0.275 94 G C -0.315 174.620 174.900 0.057 0.000 1.282 94 G CA -0.359 44.774 45.100 0.054 0.000 0.930 94 G HN 0.002 8.292 8.290 0.000 0.000 0.575 95 K N 1.380 121.793 120.400 0.022 0.000 2.379 95 K HA 0.223 4.550 4.320 0.011 0.000 0.284 95 K C 0.369 176.979 176.600 0.018 0.000 1.044 95 K CA 0.014 56.299 56.287 -0.003 0.000 0.974 95 K CB 1.512 33.895 32.500 -0.194 0.000 0.962 95 K HN 0.186 8.436 8.250 0.000 0.000 0.474 96 K N 2.033 122.453 120.400 0.034 0.000 2.168 96 K HA 0.100 4.426 4.320 0.011 0.000 0.258 96 K C 1.178 177.751 176.600 -0.045 0.000 1.010 96 K CA -0.217 56.068 56.287 -0.004 0.000 0.929 96 K CB 0.716 33.223 32.500 0.013 0.000 0.998 96 K HN 0.448 8.698 8.250 0.000 0.000 0.479 97 R N 0.434 120.851 120.500 -0.138 0.000 2.120 97 R HA -0.150 4.196 4.340 0.011 0.000 0.234 97 R C 2.294 178.550 176.300 -0.074 0.000 1.123 97 R CA 1.863 57.852 56.100 -0.185 0.000 0.975 97 R CB -0.237 29.865 30.300 -0.331 0.000 0.866 97 R HN 0.732 9.002 8.270 0.000 0.000 0.446 98 S N 0.770 116.445 115.700 -0.040 0.000 2.382 98 S HA -0.152 4.325 4.470 0.011 0.000 0.228 98 S C 1.708 176.336 174.600 0.046 0.000 1.027 98 S CA 1.030 59.230 58.200 -0.000 0.000 0.991 98 S CB -0.118 63.085 63.200 0.005 0.000 0.823 98 S HN 0.371 8.681 8.310 0.000 0.000 0.469 99 E N 1.293 121.542 120.200 0.081 0.000 2.072 99 E HA 0.041 4.397 4.350 0.011 0.000 0.190 99 E C 2.111 178.838 176.600 0.212 0.000 0.982 99 E CA 1.083 57.599 56.400 0.193 0.000 0.803 99 E CB -0.351 29.523 29.700 0.290 0.000 0.755 99 E HN 0.495 8.855 8.360 0.000 0.000 0.453 100 L N 1.003 122.274 121.223 0.079 0.000 2.083 100 L HA -0.199 4.148 4.340 0.011 0.000 0.209 100 L C 2.666 179.575 176.870 0.065 0.000 1.083 100 L CA 1.204 56.066 54.840 0.037 0.000 0.752 100 L CB -0.371 41.685 42.059 -0.004 0.000 0.899 100 L HN 0.194 8.424 8.230 0.000 0.000 0.433 101 E N 1.025 121.253 120.200 0.045 0.000 2.051 101 E HA -0.237 4.119 4.350 0.011 0.000 0.192 101 E C 2.299 178.933 176.600 0.057 0.000 0.991 101 E CA 1.397 57.819 56.400 0.036 0.000 0.799 101 E CB -0.061 29.647 29.700 0.014 0.000 0.748 101 E HN 0.459 8.819 8.360 0.000 0.000 0.449 102 I N 0.993 121.607 120.570 0.074 0.000 2.286 102 I HA -0.247 3.929 4.170 0.011 0.000 0.248 102 I C 2.591 178.764 176.117 0.093 0.000 1.115 102 I CA 0.941 62.283 61.300 0.070 0.000 1.392 102 I CB -0.345 37.694 38.000 0.065 0.000 1.065 102 I HN 0.210 8.420 8.210 0.000 0.000 0.418 103 A N 0.445 123.362 122.820 0.161 0.000 1.902 103 A HA -0.137 4.189 4.320 0.011 0.000 0.217 103 A C 2.438 180.096 177.584 0.122 0.000 1.181 103 A CA 1.638 53.794 52.037 0.198 0.000 0.623 103 A CB -0.907 18.316 19.000 0.372 0.000 0.818 103 A HN 0.229 8.379 8.150 0.000 0.000 0.443 104 V N 0.097 120.067 119.914 0.092 0.000 2.343 104 V HA -0.307 3.820 4.120 0.011 0.000 0.247 104 V C 2.588 178.716 176.094 0.057 0.000 1.051 104 V CA 2.227 64.567 62.300 0.066 0.000 1.036 104 V CB -0.914 30.941 31.823 0.052 0.000 0.654 104 V HN 0.658 8.848 8.190 0.000 0.000 0.451 105 Q N -0.338 119.493 119.800 0.052 0.000 2.226 105 Q HA -0.133 4.213 4.340 0.011 0.000 0.204 105 Q C 2.260 178.282 176.000 0.038 0.000 0.975 105 Q CA 1.640 57.467 55.803 0.040 0.000 0.866 105 Q CB -0.193 28.564 28.738 0.032 0.000 0.915 105 Q HN 0.551 8.821 8.270 0.000 0.000 0.440 106 S N -0.443 115.284 115.700 0.045 0.000 2.527 106 S HA 0.088 4.564 4.470 0.011 0.000 0.222 106 S C 1.130 175.758 174.600 0.047 0.000 0.985 106 S CA 0.501 58.724 58.200 0.038 0.000 0.921 106 S CB 0.261 63.482 63.200 0.036 0.000 0.772 106 S HN 0.636 8.946 8.310 0.000 0.000 0.529 107 G N 3.144 111.977 108.800 0.055 0.000 2.356 107 G HA2 -0.251 3.715 3.960 0.011 0.000 0.296 107 G HA3 -0.251 3.715 3.960 0.011 0.000 0.296 107 G C 0.227 175.172 174.900 0.075 0.000 1.022 107 G CA 0.444 45.579 45.100 0.058 0.000 0.961 107 G HN 0.553 8.843 8.290 0.000 0.000 0.510 108 I N -2.761 117.862 120.570 0.088 0.000 3.138 108 I HA 0.372 4.548 4.170 0.011 0.000 0.288 108 I C 1.524 177.733 176.117 0.153 0.000 1.148 108 I CA -0.919 60.454 61.300 0.121 0.000 1.315 108 I CB -0.330 37.745 38.000 0.124 0.000 1.426 108 I HN 0.085 8.295 8.210 0.000 0.000 0.615 109 Y N 3.254 123.580 120.300 0.043 0.000 2.139 109 Y HA -0.169 4.387 4.550 0.010 0.000 0.282 109 Y C 1.176 177.074 175.900 -0.004 0.000 1.179 109 Y CA 1.259 59.374 58.100 0.025 0.000 1.161 109 Y CB -0.053 38.436 38.460 0.049 0.000 0.970 109 Y HN 0.971 9.251 8.280 0.000 0.000 0.511 110 C N -1.857 117.422 119.300 -0.034 0.000 3.249 110 C HA 0.490 4.957 4.460 0.011 0.000 0.358 110 C C -0.881 174.098 174.990 -0.018 0.000 1.187 110 C CA -1.978 56.957 59.018 -0.139 0.000 1.170 110 C CB -0.094 27.426 27.740 -0.366 0.000 1.478 110 C HN 0.115 8.345 8.230 0.000 0.000 0.508 111 I N 2.129 122.680 120.570 -0.030 0.000 2.336 111 I HA 0.423 4.599 4.170 0.011 0.000 0.292 111 I C -0.064 176.017 176.117 -0.059 0.000 0.991 111 I CA -0.552 60.737 61.300 -0.018 0.000 1.227 111 I CB 1.388 39.348 38.000 -0.067 0.000 1.366 111 I HN 0.570 8.780 8.210 0.000 0.000 0.466 112 I N 6.589 127.138 120.570 -0.035 0.000 2.269 112 I HA 0.283 4.459 4.170 0.011 0.000 0.293 112 I C 0.758 176.869 176.117 -0.010 0.000 1.106 112 I CA -0.240 61.056 61.300 -0.007 0.000 1.248 112 I CB 0.682 38.727 38.000 0.075 0.000 1.444 112 I HN 0.600 8.810 8.210 0.000 0.000 0.497 113 A N 5.815 128.629 122.820 -0.011 0.000 2.445 113 A HA 0.233 4.559 4.320 0.011 0.000 0.242 113 A C 0.754 178.358 177.584 0.033 0.000 1.075 113 A CA -0.018 52.018 52.037 -0.002 0.000 0.777 113 A CB 0.239 19.245 19.000 0.011 0.000 1.013 113 A HN 0.804 8.954 8.150 0.000 0.000 0.493 114 E N 0.027 120.245 120.200 0.031 0.000 2.630 114 E HA 0.176 4.533 4.350 0.011 0.000 0.218 114 E C -0.438 176.184 176.600 0.037 0.000 0.977 114 E CA 0.474 56.906 56.400 0.053 0.000 1.038 114 E CB 0.421 30.166 29.700 0.076 0.000 1.051 114 E HN 0.749 9.109 8.360 0.000 0.000 0.487 115 S N -1.782 113.932 115.700 0.024 0.000 2.567 115 S HA 0.198 4.675 4.470 0.011 0.000 0.270 115 S C 0.554 175.160 174.600 0.010 0.000 1.152 115 S CA -0.765 57.440 58.200 0.008 0.000 0.835 115 S CB 1.526 64.718 63.200 -0.013 0.000 1.115 115 S HN -0.145 8.165 8.310 0.000 0.000 0.459 116 V N 1.537 121.456 119.914 0.010 0.000 2.427 116 V HA -0.080 4.046 4.120 0.011 0.000 0.248 116 V C 2.440 178.574 176.094 0.068 0.000 1.051 116 V CA 2.352 64.690 62.300 0.064 0.000 1.048 116 V CB -1.121 30.735 31.823 0.055 0.000 0.666 116 V HN 0.918 9.108 8.190 0.000 0.000 0.456 117 E N 0.154 120.292 120.200 -0.104 0.000 2.110 117 E HA -0.237 4.120 4.350 0.011 0.000 0.193 117 E C 2.180 178.529 176.600 -0.420 0.000 0.988 117 E CA 1.439 57.647 56.400 -0.320 0.000 0.804 117 E CB -0.277 29.195 29.700 -0.381 0.000 0.745 117 E HN 0.706 9.066 8.360 0.000 0.000 0.458 118 E N 0.331 120.426 120.200 -0.174 0.000 2.077 118 E HA -0.186 4.170 4.350 0.011 0.000 0.193 118 E C 1.931 178.549 176.600 0.028 0.000 0.989 118 E CA 0.816 57.206 56.400 -0.017 0.000 0.800 118 E CB -0.091 29.628 29.700 0.032 0.000 0.746 118 E HN 0.230 8.590 8.360 0.000 0.000 0.452 119 L N -0.144 121.098 121.223 0.031 0.000 2.042 119 L HA -0.189 4.157 4.340 0.011 0.000 0.210 119 L C 2.383 179.245 176.870 -0.013 0.000 1.076 119 L CA 1.092 55.942 54.840 0.016 0.000 0.749 119 L CB -0.419 41.645 42.059 0.009 0.000 0.893 119 L HN 0.187 8.417 8.230 0.000 0.000 0.432 120 F N -1.288 118.592 119.950 -0.117 0.000 2.186 120 F HA -0.226 4.307 4.527 0.010 0.000 0.299 120 F C 2.350 178.152 175.800 0.004 0.000 1.090 120 F CA 1.198 59.142 58.000 -0.093 0.000 1.307 120 F CB -0.564 38.337 39.000 -0.165 0.000 1.019 120 F HN -0.016 8.284 8.300 0.000 0.000 0.489 121 Y N -0.099 120.286 120.300 0.140 0.000 2.181 121 Y HA -0.186 4.371 4.550 0.011 0.000 0.288 121 Y C 2.464 178.372 175.900 0.013 0.000 1.146 121 Y CA 0.675 58.811 58.100 0.059 0.000 1.164 121 Y CB -1.246 37.235 38.460 0.035 0.000 0.982 121 Y HN 0.030 8.310 8.280 0.000 0.000 0.515 122 I N -0.223 120.448 120.570 0.169 0.000 2.226 122 I HA -0.285 3.891 4.170 0.011 0.000 0.245 122 I C 2.455 178.592 176.117 0.032 0.000 1.100 122 I CA 1.807 63.150 61.300 0.072 0.000 1.374 122 I CB -0.294 37.727 38.000 0.036 0.000 1.057 122 I HN 0.128 8.338 8.210 0.000 0.000 0.413 123 E N 1.617 121.815 120.200 -0.004 0.000 2.051 123 E HA -0.250 4.106 4.350 0.011 0.000 0.192 123 E C 1.923 178.476 176.600 -0.078 0.000 0.991 123 E CA 1.710 58.079 56.400 -0.051 0.000 0.799 123 E CB -0.129 29.484 29.700 -0.144 0.000 0.748 123 E HN 0.463 8.823 8.360 0.000 0.000 0.449 124 E N 0.035 120.222 120.200 -0.022 0.000 2.085 124 E HA -0.177 4.179 4.350 0.011 0.000 0.194 124 E C 2.301 178.866 176.600 -0.059 0.000 0.994 124 E CA 1.312 57.691 56.400 -0.036 0.000 0.801 124 E CB -0.220 29.513 29.700 0.056 0.000 0.743 124 E HN 0.321 8.681 8.360 0.000 0.000 0.453 125 L N 0.583 121.799 121.223 -0.013 0.000 2.093 125 L HA -0.131 4.215 4.340 0.011 0.000 0.208 125 L C 2.608 179.466 176.870 -0.020 0.000 1.085 125 L CA 0.853 55.686 54.840 -0.012 0.000 0.755 125 L CB -0.432 41.636 42.059 0.014 0.000 0.904 125 L HN 0.136 8.366 8.230 0.000 0.000 0.435 126 A N 0.005 122.818 122.820 -0.013 0.000 1.902 126 A HA -0.231 4.096 4.320 0.011 0.000 0.217 126 A C 2.163 179.730 177.584 -0.029 0.000 1.181 126 A CA 1.735 53.795 52.037 0.039 0.000 0.623 126 A CB -0.415 18.655 19.000 0.117 0.000 0.818 126 A HN 0.454 8.604 8.150 0.000 0.000 0.443 127 E N -0.526 119.489 120.200 -0.308 0.000 2.051 127 E HA -0.211 4.145 4.350 0.011 0.000 0.192 127 E C 2.122 178.588 176.600 -0.225 0.000 0.991 127 E CA 1.413 57.445 56.400 -0.613 0.000 0.799 127 E CB -0.160 29.088 29.700 -0.755 0.000 0.748 127 E HN 0.679 9.039 8.360 0.000 0.000 0.449 128 K N 0.878 121.196 120.400 -0.136 0.000 2.057 128 K HA -0.172 4.154 4.320 0.011 0.000 0.207 128 K C 1.557 178.146 176.600 -0.018 0.000 1.049 128 K CA 1.234 57.483 56.287 -0.063 0.000 0.931 128 K CB 0.203 32.677 32.500 -0.044 0.000 0.714 128 K HN -0.048 8.202 8.250 0.000 0.000 0.440 129 E N 0.905 121.105 120.200 0.000 0.000 2.489 129 E HA -0.011 4.345 4.350 0.011 0.000 0.193 129 E C -0.351 176.285 176.600 0.060 0.000 1.057 129 E CA 0.022 56.440 56.400 0.029 0.000 0.866 129 E CB -0.015 29.705 29.700 0.033 0.000 0.916 129 E HN 0.310 8.670 8.360 0.000 0.000 0.500 130 N N 1.738 120.492 118.700 0.089 0.000 2.696 130 N HA -0.189 4.557 4.740 0.011 0.000 0.256 130 N C -0.583 175.019 175.510 0.152 0.000 1.031 130 N CA 1.074 54.221 53.050 0.161 0.000 0.730 130 N CB -0.733 37.821 38.487 0.111 0.000 0.894 130 N HN 0.296 8.676 8.380 0.000 0.000 0.544 131 K N -0.597 119.915 120.400 0.187 0.000 2.466 131 K HA 0.444 4.770 4.320 0.011 0.000 0.260 131 K C -0.466 176.231 176.600 0.163 0.000 1.011 131 K CA -0.628 55.737 56.287 0.130 0.000 0.871 131 K CB 1.352 33.904 32.500 0.087 0.000 1.404 131 K HN -0.145 8.105 8.250 0.000 0.000 0.450 132 T N 1.406 116.009 114.554 0.081 0.000 2.753 132 T HA 0.387 4.743 4.350 0.011 0.000 0.297 132 T C -0.557 174.175 174.700 0.052 0.000 0.981 132 T CA -0.533 61.601 62.100 0.057 0.000 0.956 132 T CB 0.943 69.808 68.868 -0.004 0.000 0.936 132 T HN 0.594 8.834 8.240 0.000 0.000 0.463 133 A N 4.572 127.432 122.820 0.065 0.000 2.328 133 A HA 0.566 4.893 4.320 0.011 0.000 0.284 133 A C 0.300 177.884 177.584 -0.000 0.000 1.160 133 A CA -0.632 51.427 52.037 0.036 0.000 0.818 133 A CB 0.357 19.382 19.000 0.042 0.000 1.087 133 A HN 0.818 8.968 8.150 0.000 0.000 0.504 134 R N 0.927 121.409 120.500 -0.031 0.000 2.265 134 R HA 0.516 4.863 4.340 0.011 0.000 0.319 134 R C -0.538 175.692 176.300 -0.117 0.000 1.006 134 R CA -0.425 55.618 56.100 -0.095 0.000 0.880 134 R CB 1.469 31.680 30.300 -0.147 0.000 1.077 134 R HN 0.652 8.922 8.270 0.000 0.000 0.454 135 V N -0.809 119.024 119.914 -0.134 0.000 2.876 135 V HA 0.969 5.095 4.120 0.011 0.000 0.312 135 V C -0.588 175.371 176.094 -0.226 0.000 1.085 135 V CA -0.967 61.258 62.300 -0.126 0.000 0.945 135 V CB 1.932 33.733 31.823 -0.038 0.000 1.017 135 V HN 0.846 9.036 8.190 0.000 0.000 0.428 136 A N 4.191 126.891 122.820 -0.199 0.000 2.387 136 A HA 0.998 5.325 4.320 0.011 0.000 0.303 136 A C -0.482 177.074 177.584 -0.047 0.000 1.145 136 A CA -0.790 51.097 52.037 -0.251 0.000 0.801 136 A CB 1.705 20.556 19.000 -0.248 0.000 1.342 136 A HN 1.851 10.001 8.150 0.000 0.000 0.440 137 I N -1.586 119.010 120.570 0.042 0.000 2.465 137 I HA 0.704 4.880 4.170 0.011 0.000 0.291 137 I C -0.206 175.986 176.117 0.126 0.000 1.014 137 I CA -0.750 60.623 61.300 0.121 0.000 1.093 137 I CB 1.822 39.944 38.000 0.202 0.000 1.267 137 I HN 0.710 8.920 8.210 0.000 0.000 0.431 138 R N 6.410 126.976 120.500 0.109 0.000 2.234 138 R HA 0.622 4.969 4.340 0.011 0.000 0.324 138 R C -1.289 175.067 176.300 0.093 0.000 1.054 138 R CA -0.360 55.793 56.100 0.089 0.000 0.912 138 R CB 0.789 31.124 30.300 0.059 0.000 1.030 138 R HN 0.779 9.049 8.270 0.000 0.000 0.455 139 I N 3.734 124.364 120.570 0.101 0.000 2.377 139 I HA 0.167 4.343 4.170 0.011 0.000 0.293 139 I C -0.170 176.019 176.117 0.121 0.000 0.987 139 I CA -0.929 60.445 61.300 0.124 0.000 1.185 139 I CB 1.711 39.808 38.000 0.161 0.000 1.341 139 I HN 0.583 8.793 8.210 0.000 0.000 0.455 140 N N 8.498 127.269 118.700 0.119 0.000 2.500 140 N HA 0.329 5.075 4.740 0.011 0.000 0.236 140 N C -2.642 172.939 175.510 0.117 0.000 1.022 140 N CA -2.167 50.951 53.050 0.113 0.000 0.935 140 N CB 0.738 39.285 38.487 0.100 0.000 1.147 140 N HN 0.145 8.525 8.380 0.000 0.000 0.512 141 P HA 0.007 4.427 4.420 0.000 0.000 0.264 141 P C -0.549 176.758 177.300 0.011 0.000 1.183 141 P CA 0.186 63.370 63.100 0.140 0.000 0.763 141 P CB 0.473 32.248 31.700 0.126 0.000 0.807 142 D N 2.841 123.270 120.400 0.049 0.000 3.060 142 D HA 0.103 4.750 4.640 0.011 0.000 0.245 142 D C 0.288 176.518 176.300 -0.116 0.000 1.274 142 D CA 0.693 54.688 54.000 -0.008 0.000 0.864 142 D CB -0.212 40.620 40.800 0.054 0.000 1.073 142 D HN 0.287 8.657 8.370 0.000 0.000 0.473 143 K N -0.514 119.683 120.400 -0.339 0.000 2.546 143 K HA 0.332 4.658 4.320 0.011 0.000 0.264 143 K C -1.199 174.871 176.600 -0.883 0.000 0.937 143 K CA -0.566 55.358 56.287 -0.605 0.000 0.833 143 K CB 1.637 33.602 32.500 -0.891 0.000 1.378 143 K HN -0.224 8.026 8.250 0.000 0.000 0.432 144 S N 3.005 118.280 115.700 -0.708 0.000 2.480 144 S HA 0.533 5.010 4.470 0.011 0.000 0.286 144 S C -0.754 173.434 174.600 -0.687 0.000 1.180 144 S CA -0.608 57.246 58.200 -0.576 0.000 1.075 144 S CB 0.245 63.283 63.200 -0.269 0.000 0.996 144 S HN 0.378 8.688 8.310 0.000 0.000 0.487 149 A N 2.873 125.684 122.820 -0.015 0.000 2.520 149 A HA 0.579 4.905 4.320 0.011 0.000 0.245 149 A C 1.509 179.075 177.584 -0.030 0.000 1.072 149 A CA -0.296 51.725 52.037 -0.028 0.000 0.761 149 A CB -0.209 18.760 19.000 -0.051 0.000 1.004 149 A HN 0.379 8.529 8.150 0.000 0.000 0.499 150 I N 1.624 122.178 120.570 -0.027 0.000 2.185 150 I HA -0.039 4.137 4.170 0.011 0.000 0.235 150 I C 1.191 177.289 176.117 -0.032 0.000 1.069 150 I CA 1.375 62.660 61.300 -0.024 0.000 1.354 150 I CB -1.154 36.835 38.000 -0.018 0.000 1.093 150 I HN 0.592 8.802 8.210 0.000 0.000 0.411 151 K N 1.432 121.811 120.400 -0.035 0.000 2.218 151 K HA 0.343 4.669 4.320 0.011 0.000 0.276 151 K C -0.110 176.454 176.600 -0.060 0.000 1.022 151 K CA -0.197 56.066 56.287 -0.040 0.000 0.946 151 K CB 1.134 33.614 32.500 -0.034 0.000 1.000 151 K HN 0.091 8.341 8.250 0.000 0.000 0.468 152 M N 0.133 119.697 119.600 -0.060 0.000 2.159 152 M HA 0.190 4.676 4.480 0.011 0.000 0.293 152 M C 1.173 177.421 176.300 -0.085 0.000 1.186 152 M CA 0.439 55.690 55.300 -0.082 0.000 1.073 152 M CB 0.688 33.252 32.600 -0.061 0.000 1.419 152 M HN 0.971 9.261 8.290 0.000 0.000 0.490 153 G N -0.198 108.535 108.800 -0.112 0.000 2.175 153 G HA2 0.068 4.034 3.960 0.011 0.000 0.244 153 G HA3 0.068 4.034 3.960 0.011 0.000 0.244 153 G C 0.412 175.243 174.900 -0.114 0.000 0.982 153 G CA 0.084 45.128 45.100 -0.093 0.000 0.641 153 G HN 1.543 9.833 8.290 0.000 0.000 0.527 154 G N -2.451 106.247 108.800 -0.170 0.000 2.728 154 G HA2 0.265 4.231 3.960 0.011 0.000 0.294 154 G HA3 0.265 4.231 3.960 0.011 0.000 0.294 154 G C -0.357 174.494 174.900 -0.082 0.000 1.342 154 G CA 0.040 45.046 45.100 -0.156 0.000 0.866 154 G HN 1.534 9.824 8.290 0.000 0.000 0.534 155 V N 1.328 121.214 119.914 -0.047 0.000 2.628 155 V HA 0.620 4.746 4.120 0.011 0.000 0.306 155 V C -1.930 174.168 176.094 0.007 0.000 1.045 155 V CA -1.305 60.986 62.300 -0.016 0.000 0.905 155 V CB 2.171 33.993 31.823 -0.001 0.000 0.997 155 V HN 0.709 8.899 8.190 0.000 0.000 0.436 156 P HA 0.435 4.855 4.420 0.000 0.000 0.271 156 P C -0.742 176.571 177.300 0.020 0.000 1.226 156 P CA -0.043 63.062 63.100 0.008 0.000 0.765 156 P CB 0.404 32.102 31.700 -0.003 0.000 0.835 157 R N 1.821 122.336 120.500 0.025 0.000 2.740 157 R HA 0.200 4.546 4.340 0.011 0.000 0.273 157 R C 1.109 177.367 176.300 -0.070 0.000 0.998 157 R CA -0.759 55.360 56.100 0.031 0.000 0.900 157 R CB 1.582 31.986 30.300 0.174 0.000 1.223 157 R HN 0.405 8.675 8.270 0.000 0.000 0.466 158 Q N 1.195 120.830 119.800 -0.276 0.000 2.472 158 Q HA 0.040 4.387 4.340 0.011 0.000 0.208 158 Q C -0.378 175.363 176.000 -0.432 0.000 0.958 158 Q CA 1.034 56.601 55.803 -0.392 0.000 0.932 158 Q CB 0.114 28.532 28.738 -0.534 0.000 1.007 158 Q HN 0.331 8.601 8.270 0.000 0.000 0.508 159 F N 1.594 121.564 119.950 0.034 0.000 2.404 159 F HA 0.533 5.066 4.527 0.010 0.000 0.345 159 F C 1.537 177.353 175.800 0.027 0.000 1.110 159 F CA 0.570 58.591 58.000 0.035 0.000 1.130 159 F CB 0.933 39.964 39.000 0.051 0.000 1.129 159 F HN 0.276 8.576 8.300 0.000 0.000 0.500 160 G N 3.233 112.153 108.800 0.201 0.000 2.601 160 G HA2 -0.254 3.712 3.960 0.011 0.000 0.261 160 G HA3 -0.254 3.712 3.960 0.011 0.000 0.261 160 G C -0.805 174.146 174.900 0.085 0.000 1.289 160 G CA -0.346 44.829 45.100 0.125 0.000 0.920 160 G HN 0.580 8.870 8.290 0.000 0.000 0.571 161 M N 0.377 120.026 119.600 0.081 0.000 2.395 161 M HA 0.352 4.838 4.480 0.011 0.000 0.307 161 M C -0.900 175.445 176.300 0.074 0.000 1.091 161 M CA -0.842 54.497 55.300 0.064 0.000 0.919 161 M CB 2.140 34.774 32.600 0.057 0.000 1.662 161 M HN 0.484 8.774 8.290 0.000 0.000 0.440 162 D N 2.227 122.664 120.400 0.061 0.000 2.506 162 D HA -0.079 4.567 4.640 0.011 0.000 0.234 162 D C 0.941 177.291 176.300 0.082 0.000 1.143 162 D CA 0.492 54.532 54.000 0.066 0.000 0.871 162 D CB 0.813 41.641 40.800 0.046 0.000 1.190 162 D HN 0.703 9.073 8.370 0.000 0.000 0.459 163 E N 1.042 121.305 120.200 0.105 0.000 2.171 163 E HA -0.242 4.114 4.350 0.011 0.000 0.197 163 E C 1.463 178.126 176.600 0.106 0.000 0.997 163 E CA 1.351 57.829 56.400 0.130 0.000 0.810 163 E CB 0.141 29.947 29.700 0.176 0.000 0.738 163 E HN 0.471 8.831 8.360 0.000 0.000 0.467 164 S N -0.236 115.513 115.700 0.082 0.000 2.507 164 S HA -0.104 4.373 4.470 0.011 0.000 0.235 164 S C 1.645 176.281 174.600 0.060 0.000 0.988 164 S CA 0.874 59.113 58.200 0.066 0.000 0.944 164 S CB -0.196 63.033 63.200 0.047 0.000 0.762 164 S HN 0.287 8.597 8.310 0.000 0.000 0.526 165 M N 0.334 119.970 119.600 0.059 0.000 2.431 165 M HA 0.336 4.823 4.480 0.011 0.000 0.237 165 M C 1.363 177.693 176.300 0.050 0.000 1.130 165 M CA -0.155 55.173 55.300 0.046 0.000 1.002 165 M CB -0.061 32.560 32.600 0.035 0.000 1.524 165 M HN 0.215 8.505 8.290 0.000 0.000 0.482 166 L N 1.495 122.764 121.223 0.076 0.000 2.043 166 L HA -0.233 4.113 4.340 0.011 0.000 0.212 166 L C 1.837 178.729 176.870 0.038 0.000 1.075 166 L CA 2.090 56.977 54.840 0.078 0.000 0.752 166 L CB -0.519 41.636 42.059 0.159 0.000 0.891 166 L HN 0.283 8.513 8.230 0.000 0.000 0.432 167 D N -0.463 120.000 120.400 0.104 0.000 2.104 167 D HA -0.193 4.453 4.640 0.011 0.000 0.194 167 D C 2.142 178.435 176.300 -0.011 0.000 0.994 167 D CA 1.635 55.690 54.000 0.093 0.000 0.830 167 D CB -0.142 40.731 40.800 0.121 0.000 0.959 167 D HN 0.485 8.855 8.370 0.000 0.000 0.452 168 A N 0.830 123.653 122.820 0.004 0.000 1.902 168 A HA -0.140 4.186 4.320 0.011 0.000 0.217 168 A C 2.606 180.175 177.584 -0.025 0.000 1.181 168 A CA 1.340 53.375 52.037 -0.004 0.000 0.623 168 A CB -0.788 18.217 19.000 0.007 0.000 0.818 168 A HN 0.143 8.293 8.150 0.000 0.000 0.443 169 V N -0.012 119.880 119.914 -0.036 0.000 2.295 169 V HA -0.297 3.830 4.120 0.011 0.000 0.246 169 V C 2.659 178.668 176.094 -0.140 0.000 1.049 169 V CA 2.070 64.340 62.300 -0.049 0.000 1.024 169 V CB -0.700 31.108 31.823 -0.025 0.000 0.648 169 V HN 0.505 8.695 8.190 0.000 0.000 0.447 170 M N -0.456 118.977 119.600 -0.278 0.000 2.229 170 M HA -0.112 4.374 4.480 0.011 0.000 0.264 170 M C 1.903 178.009 176.300 -0.324 0.000 1.063 170 M CA 1.340 56.350 55.300 -0.483 0.000 1.114 170 M CB -1.330 30.674 32.600 -0.995 0.000 1.387 170 M HN 0.378 8.668 8.290 0.000 0.000 0.420 171 D N 0.582 120.865 120.400 -0.195 0.000 2.117 171 D HA -0.040 4.607 4.640 0.011 0.000 0.198 171 D C 2.019 178.276 176.300 -0.072 0.000 0.982 171 D CA 1.516 55.453 54.000 -0.105 0.000 0.828 171 D CB -0.018 40.757 40.800 -0.041 0.000 0.967 171 D HN 0.307 8.677 8.370 0.000 0.000 0.464 172 A N 1.105 123.900 122.820 -0.042 0.000 1.855 172 A HA -0.144 4.182 4.320 0.011 0.000 0.215 172 A C 2.545 180.056 177.584 -0.122 0.000 1.191 172 A CA 2.219 54.253 52.037 -0.005 0.000 0.613 172 A CB -1.012 18.058 19.000 0.116 0.000 0.829 172 A HN 0.206 8.356 8.150 0.000 0.000 0.442 173 V N -1.152 118.689 119.914 -0.122 0.000 2.332 173 V HA -0.272 3.855 4.120 0.011 0.000 0.248 173 V C 2.370 178.393 176.094 -0.119 0.000 1.055 173 V CA 2.481 64.712 62.300 -0.115 0.000 1.038 173 V CB -1.087 30.682 31.823 -0.090 0.000 0.651 173 V HN 0.600 8.790 8.190 0.000 0.000 0.450 174 R N 1.489 121.904 120.500 -0.141 0.000 2.148 174 R HA -0.115 4.231 4.340 0.011 0.000 0.227 174 R C 2.380 178.632 176.300 -0.080 0.000 1.103 174 R CA 1.631 57.666 56.100 -0.109 0.000 0.983 174 R CB -0.370 29.858 30.300 -0.120 0.000 0.874 174 R HN 0.797 9.067 8.270 0.000 0.000 0.451 175 S N -0.170 115.475 115.700 -0.092 0.000 2.527 175 S HA 0.062 4.539 4.470 0.011 0.000 0.222 175 S C 0.791 175.326 174.600 -0.108 0.000 0.985 175 S CA -0.074 58.080 58.200 -0.077 0.000 0.921 175 S CB 0.006 63.174 63.200 -0.053 0.000 0.772 175 S HN 0.202 8.512 8.310 0.000 0.000 0.529 176 L N 2.360 123.493 121.223 -0.150 0.000 2.282 176 L HA 0.326 4.672 4.340 0.011 0.000 0.287 176 L C 1.368 178.231 176.870 -0.012 0.000 1.075 176 L CA -0.381 54.374 54.840 -0.142 0.000 0.839 176 L CB 0.653 42.572 42.059 -0.234 0.000 1.219 176 L HN 0.228 8.458 8.230 0.000 0.000 0.434 177 Q N 1.939 121.783 119.800 0.072 0.000 2.291 177 Q HA -0.113 4.233 4.340 0.011 0.000 0.206 177 Q C 0.687 176.749 176.000 0.102 0.000 0.976 177 Q CA 1.492 57.356 55.803 0.102 0.000 0.875 177 Q CB 0.110 28.932 28.738 0.140 0.000 0.927 177 Q HN 0.609 8.879 8.270 0.000 0.000 0.450 178 F N -0.349 119.571 119.950 -0.050 0.000 2.641 178 F HA 0.176 4.709 4.527 0.010 0.000 0.302 178 F C 0.220 175.999 175.800 -0.036 0.000 1.098 178 F CA 0.172 58.151 58.000 -0.034 0.000 1.318 178 F CB 0.813 39.797 39.000 -0.027 0.000 1.035 178 F HN -0.291 8.009 8.300 0.000 0.000 0.551 179 T N 0.371 114.987 114.554 0.103 0.000 2.841 179 T HA 0.345 4.701 4.350 0.011 0.000 0.283 179 T C -0.668 174.047 174.700 0.024 0.000 1.000 179 T CA -0.825 61.303 62.100 0.046 0.000 0.977 179 T CB 2.436 71.311 68.868 0.012 0.000 0.979 179 T HN -0.069 8.171 8.240 0.000 0.000 0.446 180 K N 2.653 123.062 120.400 0.015 0.000 2.323 180 K HA 0.456 4.783 4.320 0.011 0.000 0.259 180 K C -1.073 175.548 176.600 0.035 0.000 0.947 180 K CA -0.796 55.504 56.287 0.022 0.000 0.819 180 K CB 0.932 33.426 32.500 -0.009 0.000 1.109 180 K HN 0.521 8.771 8.250 0.000 0.000 0.429 181 F N 6.157 126.067 119.950 -0.066 0.000 2.467 181 F HA 0.152 4.686 4.527 0.011 0.000 0.362 181 F C 0.643 176.398 175.800 -0.076 0.000 1.090 181 F CA -0.301 57.656 58.000 -0.071 0.000 1.202 181 F CB 0.548 39.510 39.000 -0.063 0.000 1.113 181 F HN 0.604 8.904 8.300 0.000 0.000 0.541 182 I N 2.554 122.674 120.570 -0.749 0.000 4.187 182 I HA 0.698 4.874 4.170 0.011 0.000 0.326 182 I C 0.630 176.281 176.117 -0.778 0.000 1.302 182 I CA 0.478 61.414 61.300 -0.608 0.000 1.196 182 I CB 0.168 37.863 38.000 -0.509 0.000 1.095 182 I HN 0.690 8.900 8.210 0.000 0.000 0.411 183 G N 1.634 109.643 108.800 -1.318 0.000 2.351 183 G HA2 0.415 4.382 3.960 0.011 0.000 0.279 183 G HA3 0.415 4.382 3.960 0.011 0.000 0.279 183 G C -1.597 173.031 174.900 -0.453 0.000 1.297 183 G CA -0.317 44.315 45.100 -0.781 0.000 0.886 183 G HN 0.560 8.850 8.290 0.000 0.000 0.493 184 I N -2.616 117.874 120.570 -0.134 0.000 3.108 184 I HA 0.884 5.060 4.170 0.011 0.000 0.312 184 I C -0.706 175.458 176.117 0.077 0.000 1.095 184 I CA -1.091 60.233 61.300 0.039 0.000 1.000 184 I CB 2.626 40.710 38.000 0.139 0.000 1.229 184 I HN 0.815 9.025 8.210 0.000 0.000 0.454 185 H N 1.901 120.977 119.070 0.009 0.000 2.947 185 H HA 0.693 5.255 4.556 0.010 0.000 0.354 185 H C -2.139 173.234 175.328 0.074 0.000 1.085 185 H CA -0.725 55.330 56.048 0.012 0.000 1.253 185 H CB 2.506 32.258 29.762 -0.018 0.000 1.757 185 H HN 0.553 8.833 8.280 0.000 0.000 0.523 186 V N 5.619 125.630 119.914 0.161 0.000 2.577 186 V HA 0.227 4.354 4.120 0.011 0.000 0.303 186 V C -1.417 174.692 176.094 0.024 0.000 1.042 186 V CA -0.654 61.667 62.300 0.035 0.000 0.872 186 V CB 1.653 33.550 31.823 0.124 0.000 0.998 186 V HN 0.660 8.850 8.190 0.000 0.000 0.423 187 Y N 3.424 123.587 120.300 -0.228 0.000 2.332 187 Y HA 0.423 4.979 4.550 0.011 0.000 0.325 187 Y C 0.964 176.797 175.900 -0.112 0.000 1.054 187 Y CA -0.321 57.679 58.100 -0.166 0.000 1.119 187 Y CB 2.378 40.685 38.460 -0.254 0.000 1.168 187 Y HN 0.706 8.986 8.280 0.000 0.000 0.439 188 T N 1.092 115.355 114.554 -0.484 0.000 3.081 188 T HA 0.602 4.958 4.350 0.011 0.000 0.250 188 T C 0.678 175.116 174.700 -0.436 0.000 1.100 188 T CA 0.391 62.296 62.100 -0.325 0.000 1.038 188 T CB -0.150 68.639 68.868 -0.132 0.000 0.962 188 T HN 1.404 9.644 8.240 0.000 0.000 0.516 189 G N -0.170 108.064 108.800 -0.943 0.000 2.326 189 G HA2 0.298 4.264 3.960 0.011 0.000 0.413 189 G HA3 0.298 4.264 3.960 0.011 0.000 0.413 189 G C -0.724 173.934 174.900 -0.404 0.000 1.444 189 G CA -0.428 44.352 45.100 -0.533 0.000 1.002 189 G HN 0.311 8.601 8.290 0.000 0.000 0.649 190 T N -0.979 113.528 114.554 -0.079 0.000 2.881 190 T HA 0.498 4.855 4.350 0.011 0.000 0.278 190 T C 0.787 175.510 174.700 0.037 0.000 0.982 190 T CA 1.463 63.591 62.100 0.047 0.000 0.989 190 T CB 1.052 69.938 68.868 0.030 0.000 1.058 190 T HN 2.056 10.296 8.240 0.000 0.000 0.529 191 Q N 1.891 121.755 119.800 0.106 0.000 2.439 191 Q HA -0.185 4.161 4.340 0.011 0.000 0.325 191 Q C -0.814 175.250 176.000 0.107 0.000 1.372 191 Q CA 0.402 56.287 55.803 0.137 0.000 0.909 191 Q CB -1.856 26.957 28.738 0.125 0.000 1.167 191 Q HN 0.560 8.830 8.270 0.000 0.000 0.418 192 N N 1.049 119.809 118.700 0.101 0.000 2.406 192 N HA 0.198 4.945 4.740 0.011 0.000 0.251 192 N C 0.129 175.681 175.510 0.070 0.000 1.069 192 N CA -0.113 52.977 53.050 0.066 0.000 0.947 192 N CB 0.400 38.914 38.487 0.046 0.000 1.111 192 N HN 0.547 8.927 8.380 0.000 0.000 0.497 193 L N 2.304 123.560 121.223 0.055 0.000 2.769 193 L HA 0.243 4.589 4.340 0.011 0.000 0.240 193 L C 0.667 177.542 176.870 0.008 0.000 1.163 193 L CA -0.141 54.721 54.840 0.038 0.000 0.962 193 L CB -0.068 42.028 42.059 0.062 0.000 1.258 193 L HN 0.450 8.680 8.230 0.000 0.000 0.513 194 N N 0.291 118.993 118.700 0.003 0.000 2.527 194 N HA 0.086 4.832 4.740 0.011 0.000 0.236 194 N C 0.810 176.297 175.510 -0.038 0.000 0.999 194 N CA 0.050 53.095 53.050 -0.009 0.000 0.935 194 N CB 1.365 39.856 38.487 0.007 0.000 1.132 194 N HN -0.042 8.338 8.380 0.000 0.000 0.511 195 T N 1.976 116.493 114.554 -0.061 0.000 2.624 195 T HA -0.164 4.193 4.350 0.011 0.000 0.268 195 T C 0.797 175.448 174.700 -0.081 0.000 1.041 195 T CA 1.397 63.438 62.100 -0.098 0.000 1.159 195 T CB 0.003 68.812 68.868 -0.097 0.000 0.863 195 T HN 0.512 8.752 8.240 0.000 0.000 0.434 196 D N 0.951 121.320 120.400 -0.052 0.000 2.178 196 D HA -0.058 4.588 4.640 0.011 0.000 0.202 196 D C 2.505 178.783 176.300 -0.036 0.000 0.974 196 D CA 1.325 55.300 54.000 -0.042 0.000 0.841 196 D CB -0.456 40.332 40.800 -0.021 0.000 0.953 196 D HN 0.537 8.907 8.370 0.000 0.000 0.478 197 S N 0.238 115.926 115.700 -0.020 0.000 2.383 197 S HA -0.098 4.379 4.470 0.011 0.000 0.227 197 S C 2.204 176.746 174.600 -0.096 0.000 1.026 197 S CA 0.461 58.658 58.200 -0.004 0.000 0.981 197 S CB -0.520 62.699 63.200 0.031 0.000 0.818 197 S HN 0.236 8.546 8.310 0.000 0.000 0.472 198 I N 1.323 121.844 120.570 -0.081 0.000 2.202 198 I HA -0.097 4.079 4.170 0.011 0.000 0.242 198 I C 2.445 178.496 176.117 -0.109 0.000 1.091 198 I CA 1.269 62.523 61.300 -0.076 0.000 1.368 198 I CB -0.397 37.596 38.000 -0.012 0.000 1.058 198 I HN 0.271 8.481 8.210 0.000 0.000 0.410 199 I N 0.649 121.157 120.570 -0.104 0.000 2.163 199 I HA -0.319 3.857 4.170 0.011 0.000 0.243 199 I C 2.650 178.669 176.117 -0.163 0.000 1.085 199 I CA 1.614 62.845 61.300 -0.116 0.000 1.347 199 I CB -0.408 37.528 38.000 -0.106 0.000 1.044 199 I HN 0.311 8.521 8.210 0.000 0.000 0.408 200 E N 0.506 120.613 120.200 -0.155 0.000 2.051 200 E HA -0.267 4.089 4.350 0.011 0.000 0.192 200 E C 2.292 178.682 176.600 -0.351 0.000 0.991 200 E CA 1.683 57.999 56.400 -0.139 0.000 0.799 200 E CB -0.027 29.688 29.700 0.026 0.000 0.748 200 E HN 0.325 8.685 8.360 0.000 0.000 0.449 201 S N -0.307 114.957 115.700 -0.727 0.000 2.356 201 S HA -0.163 4.314 4.470 0.011 0.000 0.223 201 S C 2.045 176.420 174.600 -0.375 0.000 1.032 201 S CA 1.525 59.057 58.200 -1.112 0.000 1.005 201 S CB -0.179 62.441 63.200 -0.967 0.000 0.867 201 S HN 0.308 8.618 8.310 0.000 0.000 0.449 202 M N 0.559 120.036 119.600 -0.206 0.000 2.132 202 M HA -0.086 4.400 4.480 0.011 0.000 0.263 202 M C 2.249 178.543 176.300 -0.009 0.000 1.065 202 M CA 1.455 56.722 55.300 -0.055 0.000 1.122 202 M CB -0.431 32.159 32.600 -0.017 0.000 1.365 202 M HN 0.255 8.545 8.290 0.000 0.000 0.411 203 K N -0.522 119.813 120.400 -0.108 0.000 2.097 203 K HA -0.187 4.140 4.320 0.011 0.000 0.205 203 K C 1.890 178.540 176.600 0.084 0.000 1.050 203 K CA 1.418 57.595 56.287 -0.184 0.000 0.938 203 K CB -0.341 31.788 32.500 -0.618 0.000 0.718 203 K HN 0.243 8.493 8.250 0.000 0.000 0.442 204 Y N 2.028 122.311 120.300 -0.030 0.000 2.224 204 Y HA -0.251 4.305 4.550 0.010 0.000 0.289 204 Y C 2.199 178.169 175.900 0.117 0.000 1.146 204 Y CA 1.705 59.862 58.100 0.095 0.000 1.182 204 Y CB -0.161 38.406 38.460 0.180 0.000 0.983 204 Y HN -0.006 8.274 8.280 0.000 0.000 0.524 205 T N -0.881 113.812 114.554 0.231 0.000 2.857 205 T HA -0.144 4.213 4.350 0.011 0.000 0.266 205 T C 2.027 176.796 174.700 0.114 0.000 1.048 205 T CA 1.434 63.640 62.100 0.177 0.000 1.139 205 T CB -0.627 68.332 68.868 0.152 0.000 0.874 205 T HN 0.165 8.405 8.240 0.000 0.000 0.455 206 V N 2.202 122.204 119.914 0.148 0.000 2.407 206 V HA -0.155 3.972 4.120 0.011 0.000 0.248 206 V C 2.271 178.405 176.094 0.067 0.000 1.055 206 V CA 1.635 64.011 62.300 0.128 0.000 1.049 206 V CB -0.532 31.433 31.823 0.237 0.000 0.662 206 V HN 0.415 8.605 8.190 0.000 0.000 0.455 207 D N -0.024 120.442 120.400 0.110 0.000 2.178 207 D HA -0.090 4.556 4.640 0.011 0.000 0.202 207 D C 2.119 178.413 176.300 -0.009 0.000 0.974 207 D CA 0.953 54.982 54.000 0.049 0.000 0.841 207 D CB -0.145 40.654 40.800 -0.002 0.000 0.953 207 D HN 0.342 8.712 8.370 0.000 0.000 0.478 208 L N 0.501 121.699 121.223 -0.043 0.000 2.141 208 L HA -0.062 4.284 4.340 0.011 0.000 0.209 208 L C 2.513 179.444 176.870 0.102 0.000 1.094 208 L CA 1.205 56.050 54.840 0.008 0.000 0.763 208 L CB -0.555 41.539 42.059 0.059 0.000 0.908 208 L HN 0.086 8.316 8.230 0.000 0.000 0.437 209 G N -0.428 108.417 108.800 0.074 0.000 2.418 209 G HA2 -0.241 3.726 3.960 0.011 0.000 0.217 209 G HA3 -0.241 3.726 3.960 0.011 0.000 0.217 209 G C 1.756 176.873 174.900 0.362 0.000 1.158 209 G CA 0.376 45.542 45.100 0.110 0.000 0.771 209 G HN 0.246 8.536 8.290 0.000 0.000 0.545 210 R N 0.175 120.866 120.500 0.319 0.000 2.081 210 R HA -0.056 4.290 4.340 0.011 0.000 0.235 210 R C 2.483 178.945 176.300 0.269 0.000 1.131 210 R CA 1.232 57.575 56.100 0.405 0.000 0.960 210 R CB -0.270 30.192 30.300 0.269 0.000 0.856 210 R HN 0.288 8.558 8.270 0.000 0.000 0.436 211 N N 0.874 119.666 118.700 0.153 0.000 2.149 211 N HA -0.162 4.585 4.740 0.011 0.000 0.188 211 N C 1.861 177.405 175.510 0.057 0.000 1.019 211 N CA 1.240 54.330 53.050 0.066 0.000 0.857 211 N CB -0.185 38.318 38.487 0.027 0.000 0.997 211 N HN 0.262 8.642 8.380 0.000 0.000 0.426 212 I N 0.017 120.700 120.570 0.189 0.000 2.286 212 I HA -0.280 3.896 4.170 0.011 0.000 0.248 212 I C 2.241 178.507 176.117 0.248 0.000 1.115 212 I CA 0.940 62.415 61.300 0.291 0.000 1.392 212 I CB -0.227 38.002 38.000 0.381 0.000 1.065 212 I HN 0.082 8.292 8.210 0.000 0.000 0.418 213 Y N 1.890 122.280 120.300 0.151 0.000 2.263 213 Y HA -0.182 4.374 4.550 0.010 0.000 0.292 213 Y C 2.312 178.207 175.900 -0.008 0.000 1.130 213 Y CA 1.471 59.617 58.100 0.078 0.000 1.179 213 Y CB -0.196 38.286 38.460 0.037 0.000 0.998 213 Y HN 0.173 8.453 8.280 0.000 0.000 0.532 214 E N -0.223 119.894 120.200 -0.139 0.000 2.150 214 E HA -0.151 4.206 4.350 0.011 0.000 0.193 214 E C 2.112 178.518 176.600 -0.323 0.000 0.985 214 E CA 1.168 57.420 56.400 -0.247 0.000 0.814 214 E CB -0.068 29.583 29.700 -0.082 0.000 0.752 214 E HN 0.499 8.859 8.360 0.000 0.000 0.466 215 R N -0.640 119.610 120.500 -0.418 0.000 2.189 215 R HA 0.039 4.385 4.340 0.011 0.000 0.203 215 R C 0.855 176.693 176.300 -0.769 0.000 1.012 215 R CA 0.707 56.400 56.100 -0.679 0.000 1.015 215 R CB 0.325 30.014 30.300 -1.019 0.000 0.938 215 R HN 0.222 8.492 8.270 0.000 0.000 0.472 216 Y N -1.559 118.669 120.300 -0.121 0.000 2.471 216 Y HA 0.365 4.921 4.550 0.011 0.000 0.249 216 Y C 1.317 177.133 175.900 -0.139 0.000 1.116 216 Y CA -0.153 57.876 58.100 -0.120 0.000 1.240 216 Y CB 0.779 39.170 38.460 -0.115 0.000 1.251 216 Y HN 0.138 8.418 8.280 0.000 0.000 0.527 217 G N 1.398 110.104 108.800 -0.157 0.000 2.168 217 G HA2 -0.311 3.656 3.960 0.011 0.000 0.257 217 G HA3 -0.311 3.656 3.960 0.011 0.000 0.257 217 G C 0.005 174.956 174.900 0.084 0.000 0.997 217 G CA 0.398 45.349 45.100 -0.248 0.000 0.708 217 G HN 0.345 8.635 8.290 0.000 0.000 0.520 218 I N 0.357 121.048 120.570 0.201 0.000 2.392 218 I HA 0.433 4.609 4.170 0.011 0.000 0.295 218 I C 0.341 176.690 176.117 0.386 0.000 0.985 218 I CA -1.078 60.381 61.300 0.265 0.000 1.221 218 I CB 1.958 40.068 38.000 0.183 0.000 1.366 218 I HN -0.144 8.066 8.210 0.000 0.000 0.467 219 V N 5.549 125.638 119.914 0.291 0.000 2.333 219 V HA 0.159 4.285 4.120 0.011 0.000 0.274 219 V C 0.018 176.281 176.094 0.281 0.000 1.028 219 V CA -0.661 61.765 62.300 0.211 0.000 0.851 219 V CB 1.101 32.902 31.823 -0.037 0.000 1.000 219 V HN 0.829 9.019 8.190 0.000 0.000 0.456 220 C N 4.082 123.621 119.300 0.398 0.000 2.633 220 C HA 0.007 4.474 4.460 0.011 0.000 0.415 220 C C 2.024 177.057 174.990 0.071 0.000 1.393 220 C CA 0.103 59.244 59.018 0.205 0.000 1.700 220 C CB -0.588 27.222 27.740 0.117 0.000 2.541 220 C HN 1.052 9.282 8.230 0.000 0.000 0.603 221 E N 0.731 120.909 120.200 -0.038 0.000 2.216 221 E HA -0.062 4.295 4.350 0.011 0.000 0.192 221 E C 0.478 177.013 176.600 -0.108 0.000 0.988 221 E CA 0.649 57.021 56.400 -0.047 0.000 0.834 221 E CB 0.335 30.002 29.700 -0.055 0.000 0.772 221 E HN 0.803 9.163 8.360 0.000 0.000 0.479 222 C N 0.514 119.694 119.300 -0.199 0.000 2.608 222 C HA 0.563 5.029 4.460 0.011 0.000 0.325 222 C C -1.049 173.754 174.990 -0.311 0.000 1.147 222 C CA -0.840 58.038 59.018 -0.233 0.000 1.359 222 C CB 0.475 28.140 27.740 -0.124 0.000 1.912 222 C HN 0.247 8.477 8.230 0.000 0.000 0.466 223 I N 6.194 126.512 120.570 -0.421 0.000 2.420 223 I HA 0.296 4.473 4.170 0.011 0.000 0.282 223 I C -0.468 175.546 176.117 -0.171 0.000 1.019 223 I CA -0.137 60.977 61.300 -0.311 0.000 1.130 223 I CB 1.074 38.809 38.000 -0.441 0.000 1.262 223 I HN 0.639 8.849 8.210 0.000 0.000 0.454 224 N N 7.250 125.882 118.700 -0.113 0.000 2.420 224 N HA 0.267 5.014 4.740 0.011 0.000 0.249 224 N C 0.465 176.025 175.510 0.083 0.000 1.033 224 N CA -0.184 52.796 53.050 -0.116 0.000 0.944 224 N CB 1.246 39.506 38.487 -0.377 0.000 1.113 224 N HN 0.596 8.976 8.380 0.000 0.000 0.502 225 L N 2.692 123.961 121.223 0.077 0.000 2.599 225 L HA 0.188 4.535 4.340 0.011 0.000 0.230 225 L C 1.676 178.629 176.870 0.139 0.000 1.141 225 L CA 0.249 55.157 54.840 0.114 0.000 0.877 225 L CB -0.895 41.218 42.059 0.089 0.000 1.009 225 L HN 0.743 8.973 8.230 0.000 0.000 0.447 226 G N 0.399 109.320 108.800 0.203 0.000 2.556 226 G HA2 -0.131 3.836 3.960 0.011 0.000 0.283 226 G HA3 -0.131 3.836 3.960 0.011 0.000 0.283 226 G C 0.549 175.543 174.900 0.156 0.000 1.177 226 G CA 0.178 45.469 45.100 0.318 0.000 0.978 226 G HN 0.591 8.881 8.290 0.000 0.000 0.554 227 G N -2.692 106.208 108.800 0.166 0.000 3.815 227 G HA2 0.514 4.480 3.960 0.011 0.000 0.112 227 G HA3 0.514 4.480 3.960 0.011 0.000 0.112 227 G C 1.965 176.918 174.900 0.088 0.000 2.124 227 G CA 1.533 46.613 45.100 -0.034 0.000 0.991 227 G HN 2.790 11.080 8.290 0.000 0.000 0.287 228 G N 0.575 109.484 108.800 0.182 0.000 2.225 228 G HA2 -0.179 3.787 3.960 0.011 0.000 0.267 228 G HA3 -0.179 3.787 3.960 0.011 0.000 0.267 228 G C 0.301 175.374 174.900 0.289 0.000 1.024 228 G CA 0.431 45.652 45.100 0.201 0.000 0.784 228 G HN 1.032 9.322 8.290 0.000 0.000 0.507 229 F N 1.206 121.219 119.950 0.106 0.000 2.593 229 F HA 0.395 4.929 4.527 0.011 0.000 0.393 229 F C 1.434 177.319 175.800 0.141 0.000 1.037 229 F CA -0.125 57.906 58.000 0.050 0.000 1.195 229 F CB -0.117 38.839 39.000 -0.074 0.000 1.034 229 F HN 0.242 8.542 8.300 0.000 0.000 0.552 230 G N 2.137 111.106 108.800 0.282 0.000 2.547 230 G HA2 0.587 4.553 3.960 0.011 0.000 0.291 230 G HA3 0.587 4.553 3.960 0.011 0.000 0.291 230 G C -0.941 174.096 174.900 0.228 0.000 1.211 230 G CA -0.553 44.691 45.100 0.241 0.000 0.950 230 G HN 0.699 8.989 8.290 0.000 0.000 0.504 231 V N -2.312 117.677 119.914 0.124 0.000 2.841 231 V HA 0.734 4.860 4.120 0.011 0.000 0.310 231 V C -2.644 173.309 176.094 -0.235 0.000 1.090 231 V CA -2.599 59.680 62.300 -0.035 0.000 0.930 231 V CB 2.298 34.028 31.823 -0.155 0.000 1.014 231 V HN 0.658 8.848 8.190 0.000 0.000 0.425 232 P HA 0.270 4.690 4.420 0.000 0.000 0.271 232 P C -0.952 176.124 177.300 -0.373 0.000 1.220 232 P CA 0.372 63.376 63.100 -0.160 0.000 0.768 232 P CB 0.928 32.594 31.700 -0.057 0.000 0.848 233 Y N 1.657 121.794 120.300 -0.272 0.000 2.607 233 Y HA 0.236 4.792 4.550 0.010 0.000 0.276 233 Y C 0.966 176.499 175.900 -0.611 0.000 1.117 233 Y CA 0.500 58.263 58.100 -0.562 0.000 1.273 233 Y CB 0.086 37.935 38.460 -1.018 0.000 1.282 233 Y HN 0.164 8.444 8.280 0.000 0.000 0.514 238 K N 0.813 121.244 120.400 0.053 0.000 2.156 238 K HA 0.734 5.060 4.320 0.011 0.000 0.254 238 K C -0.514 176.102 176.600 0.027 0.000 0.950 238 K CA -0.730 55.577 56.287 0.034 0.000 0.849 238 K CB 1.844 34.359 32.500 0.026 0.000 1.100 238 K HN 0.503 8.753 8.250 0.000 0.000 0.434 239 A N 2.721 125.554 122.820 0.023 0.000 2.351 239 A HA 0.278 4.604 4.320 0.011 0.000 0.257 239 A C 0.085 177.669 177.584 0.000 0.000 1.087 239 A CA -0.491 51.562 52.037 0.027 0.000 0.798 239 A CB 0.066 19.095 19.000 0.048 0.000 1.033 239 A HN 0.683 8.833 8.150 0.000 0.000 0.488 240 L N 0.897 122.106 121.223 -0.024 0.000 2.483 240 L HA 0.056 4.403 4.340 0.011 0.000 0.275 240 L C 0.576 177.381 176.870 -0.109 0.000 1.220 240 L CA -0.121 54.657 54.840 -0.103 0.000 0.833 240 L CB 0.325 42.246 42.059 -0.229 0.000 1.102 240 L HN 0.699 8.929 8.230 0.000 0.000 0.490 241 D N 2.551 122.876 120.400 -0.126 0.000 2.517 241 D HA 0.079 4.726 4.640 0.011 0.000 0.220 241 D C 1.132 177.331 176.300 -0.168 0.000 1.158 241 D CA -0.248 53.688 54.000 -0.107 0.000 0.992 241 D CB 0.578 41.329 40.800 -0.082 0.000 1.058 241 D HN 0.284 8.654 8.370 0.000 0.000 0.516 242 I N 2.201 122.658 120.570 -0.189 0.000 2.335 242 I HA -0.152 4.025 4.170 0.011 0.000 0.251 242 I C 2.300 178.323 176.117 -0.157 0.000 1.129 242 I CA 0.855 61.999 61.300 -0.260 0.000 1.402 242 I CB -1.213 36.653 38.000 -0.224 0.000 1.069 242 I HN 0.386 8.596 8.210 0.000 0.000 0.424 243 G N 0.816 109.558 108.800 -0.097 0.000 2.418 243 G HA2 -0.295 3.671 3.960 0.011 0.000 0.217 243 G HA3 -0.295 3.671 3.960 0.011 0.000 0.217 243 G C 1.832 176.693 174.900 -0.065 0.000 1.158 243 G CA 0.849 45.910 45.100 -0.064 0.000 0.771 243 G HN 0.356 8.646 8.290 0.000 0.000 0.545 244 K N 0.010 120.364 120.400 -0.077 0.000 2.057 244 K HA 0.033 4.359 4.320 0.011 0.000 0.206 244 K C 2.509 179.060 176.600 -0.081 0.000 1.050 244 K CA 0.877 57.122 56.287 -0.070 0.000 0.935 244 K CB -0.237 32.220 32.500 -0.071 0.000 0.715 244 K HN 0.375 8.625 8.250 0.000 0.000 0.439 245 I N 1.146 121.642 120.570 -0.124 0.000 2.142 245 I HA -0.300 3.876 4.170 0.011 0.000 0.240 245 I C 2.530 178.617 176.117 -0.050 0.000 1.078 245 I CA 1.883 63.109 61.300 -0.124 0.000 1.343 245 I CB -0.715 37.125 38.000 -0.266 0.000 1.046 245 I HN 0.401 8.611 8.210 0.000 0.000 0.405 246 T N -0.858 113.674 114.554 -0.036 0.000 2.746 246 T HA -0.246 4.110 4.350 0.011 0.000 0.267 246 T C 2.015 176.719 174.700 0.007 0.000 1.039 246 T CA 1.243 63.359 62.100 0.027 0.000 1.142 246 T CB -0.451 68.443 68.868 0.044 0.000 0.866 246 T HN 0.292 8.532 8.240 0.000 0.000 0.444 247 R N 1.260 121.751 120.500 -0.014 0.000 2.062 247 R HA -0.115 4.231 4.340 0.011 0.000 0.231 247 R C 2.895 179.190 176.300 -0.009 0.000 1.136 247 R CA 2.132 58.225 56.100 -0.012 0.000 0.948 247 R CB -0.843 29.446 30.300 -0.018 0.000 0.845 247 R HN 0.678 8.948 8.270 0.000 0.000 0.430 248 T N -1.698 112.845 114.554 -0.018 0.000 2.708 248 T HA -0.076 4.280 4.350 0.011 0.000 0.266 248 T C 1.983 176.682 174.700 -0.001 0.000 1.037 248 T CA 1.501 63.592 62.100 -0.016 0.000 1.146 248 T CB -0.607 68.233 68.868 -0.046 0.000 0.865 248 T HN 0.069 8.309 8.240 0.000 0.000 0.435 249 V N 1.696 121.603 119.914 -0.011 0.000 2.427 249 V HA -0.123 4.003 4.120 0.011 0.000 0.248 249 V C 3.089 179.176 176.094 -0.011 0.000 1.051 249 V CA 1.890 64.190 62.300 0.000 0.000 1.048 249 V CB -0.940 30.885 31.823 0.004 0.000 0.666 249 V HN 0.522 8.712 8.190 0.000 0.000 0.456 250 S N -0.003 115.685 115.700 -0.020 0.000 2.368 250 S HA -0.211 4.265 4.470 0.011 0.000 0.225 250 S C 1.752 176.322 174.600 -0.049 0.000 1.030 250 S CA 1.598 59.768 58.200 -0.050 0.000 0.999 250 S CB -0.378 62.807 63.200 -0.024 0.000 0.844 250 S HN 0.616 8.926 8.310 0.000 0.000 0.459 251 D N -0.060 120.338 120.400 -0.004 0.000 2.117 251 D HA -0.067 4.579 4.640 0.011 0.000 0.198 251 D C 1.625 177.940 176.300 0.024 0.000 0.982 251 D CA 0.929 54.935 54.000 0.009 0.000 0.828 251 D CB -0.336 40.485 40.800 0.035 0.000 0.967 251 D HN 0.377 8.747 8.370 0.000 0.000 0.464 252 Y N 1.264 121.506 120.300 -0.096 0.000 2.181 252 Y HA -0.174 4.382 4.550 0.010 0.000 0.288 252 Y C 2.319 178.113 175.900 -0.177 0.000 1.146 252 Y CA 0.793 58.832 58.100 -0.101 0.000 1.164 252 Y CB -0.280 38.129 38.460 -0.085 0.000 0.982 252 Y HN -0.207 8.073 8.280 0.000 0.000 0.515 253 V N -0.238 119.557 119.914 -0.198 0.000 2.427 253 V HA -0.282 3.844 4.120 0.011 0.000 0.248 253 V C 2.244 178.103 176.094 -0.391 0.000 1.051 253 V CA 2.014 63.984 62.300 -0.550 0.000 1.048 253 V CB -0.635 30.729 31.823 -0.766 0.000 0.666 253 V HN 0.300 8.490 8.190 0.000 0.000 0.456 254 Q N 0.553 120.222 119.800 -0.217 0.000 2.124 254 Q HA -0.230 4.116 4.340 0.011 0.000 0.202 254 Q C 2.057 177.998 176.000 -0.098 0.000 0.977 254 Q CA 2.053 57.781 55.803 -0.125 0.000 0.850 254 Q CB -0.346 28.347 28.738 -0.075 0.000 0.901 254 Q HN 0.645 8.915 8.270 0.000 0.000 0.429 255 E N -0.362 119.759 120.200 -0.131 0.000 2.077 255 E HA -0.103 4.254 4.350 0.011 0.000 0.193 255 E C 1.666 178.214 176.600 -0.087 0.000 0.989 255 E CA 1.548 57.875 56.400 -0.122 0.000 0.800 255 E CB -0.559 29.026 29.700 -0.192 0.000 0.746 255 E HN 0.398 8.758 8.360 0.000 0.000 0.452 256 A N 0.392 123.148 122.820 -0.105 0.000 1.898 256 A HA -0.121 4.206 4.320 0.011 0.000 0.216 256 A C 2.265 179.985 177.584 0.227 0.000 1.181 256 A CA 1.720 53.823 52.037 0.111 0.000 0.620 256 A CB -0.539 18.512 19.000 0.086 0.000 0.819 256 A HN 0.204 8.354 8.150 0.000 0.000 0.442 257 R N 0.451 121.020 120.500 0.115 0.000 2.081 257 R HA -0.123 4.224 4.340 0.011 0.000 0.235 257 R C 0.928 177.272 176.300 0.073 0.000 1.131 257 R CA 1.913 58.098 56.100 0.142 0.000 0.960 257 R CB -0.435 29.905 30.300 0.066 0.000 0.856 257 R HN 0.434 8.704 8.270 0.000 0.000 0.436 258 D N -0.982 119.433 120.400 0.024 0.000 2.378 258 D HA -0.052 4.594 4.640 0.011 0.000 0.227 258 D C 1.076 177.369 176.300 -0.012 0.000 1.012 258 D CA 1.412 55.413 54.000 0.001 0.000 0.905 258 D CB 0.391 41.184 40.800 -0.013 0.000 0.895 258 D HN 0.544 8.914 8.370 0.000 0.000 0.532 259 T N -2.691 111.857 114.554 -0.009 0.000 3.257 259 T HA 0.162 4.518 4.350 0.011 0.000 0.176 259 T C 1.639 176.253 174.700 -0.143 0.000 0.892 259 T CA -0.335 61.732 62.100 -0.055 0.000 1.147 259 T CB 0.635 69.478 68.868 -0.043 0.000 1.840 259 T HN -0.248 7.992 8.240 0.000 0.000 0.375 260 R N 0.596 120.951 120.500 -0.241 0.000 2.246 260 R HA 0.348 4.695 4.340 0.011 0.000 0.199 260 R C -0.099 175.692 176.300 -0.849 0.000 0.984 260 R CA 0.269 55.973 56.100 -0.660 0.000 1.015 260 R CB -0.320 29.370 30.300 -1.018 0.000 0.930 260 R HN 0.498 8.768 8.270 0.000 0.000 0.475 261 F N 1.417 121.339 119.950 -0.046 0.000 2.627 261 F HA 0.313 4.847 4.527 0.011 0.000 0.329 261 F C -1.381 174.451 175.800 0.053 0.000 1.378 261 F CA -2.059 55.948 58.000 0.012 0.000 1.134 261 F CB 1.105 40.173 39.000 0.113 0.000 1.229 261 F HN -0.127 8.173 8.300 0.000 0.000 0.537 262 P HA -0.177 4.243 4.420 0.000 0.000 0.222 262 P C 0.343 177.699 177.300 0.093 0.000 1.147 262 P CA 1.523 64.671 63.100 0.079 0.000 0.790 262 P CB 0.362 32.070 31.700 0.014 0.000 0.780 263 Q N -1.089 118.763 119.800 0.088 0.000 2.135 263 Q HA 0.172 4.519 4.340 0.011 0.000 0.231 263 Q C -0.213 175.832 176.000 0.075 0.000 0.817 263 Q CA -0.049 55.798 55.803 0.074 0.000 1.073 263 Q CB 0.693 29.458 28.738 0.044 0.000 1.176 263 Q HN 0.057 8.327 8.270 0.000 0.000 0.478 264 T N 1.623 116.239 114.554 0.103 0.000 2.832 264 T HA 0.176 4.533 4.350 0.011 0.000 0.296 264 T C 0.196 174.836 174.700 -0.101 0.000 0.968 264 T CA 0.235 62.314 62.100 -0.034 0.000 1.107 264 T CB 1.235 70.027 68.868 -0.126 0.000 0.916 264 T HN -0.052 8.188 8.240 0.000 0.000 0.517 265 T N 4.511 118.978 114.554 -0.144 0.000 2.749 265 T HA 0.421 4.777 4.350 0.011 0.000 0.295 265 T C -0.315 174.234 174.700 -0.250 0.000 0.936 265 T CA -0.162 61.894 62.100 -0.074 0.000 1.060 265 T CB -0.139 68.724 68.868 -0.008 0.000 0.904 265 T HN 0.305 8.545 8.240 0.000 0.000 0.500 266 F N 2.886 122.807 119.950 -0.048 0.000 2.422 266 F HA 0.606 5.139 4.527 0.011 0.000 0.333 266 F C 0.457 176.186 175.800 -0.119 0.000 1.095 266 F CA -0.995 56.952 58.000 -0.088 0.000 1.038 266 F CB 1.048 39.994 39.000 -0.091 0.000 1.156 266 F HN 0.315 8.615 8.300 0.000 0.000 0.483 267 I N 4.130 124.697 120.570 -0.005 0.000 2.569 267 I HA 0.445 4.621 4.170 0.011 0.000 0.296 267 I C -0.851 175.206 176.117 -0.101 0.000 1.028 267 I CA -0.643 60.594 61.300 -0.105 0.000 1.082 267 I CB 2.267 40.087 38.000 -0.301 0.000 1.264 267 I HN 0.409 8.619 8.210 0.000 0.000 0.429 268 I N 5.093 125.577 120.570 -0.144 0.000 2.418 268 I HA 0.303 4.479 4.170 0.011 0.000 0.287 268 I C -0.471 175.655 176.117 0.016 0.000 1.008 268 I CA -0.514 60.722 61.300 -0.106 0.000 1.104 268 I CB 1.867 39.757 38.000 -0.184 0.000 1.264 268 I HN 0.559 8.769 8.210 0.000 0.000 0.438 269 E N 4.065 124.262 120.200 -0.005 0.000 2.242 269 E HA 0.591 4.947 4.350 0.011 0.000 0.275 269 E C -0.805 175.783 176.600 -0.019 0.000 1.002 269 E CA -0.544 55.874 56.400 0.029 0.000 0.841 269 E CB 2.161 31.852 29.700 -0.015 0.000 1.109 269 E HN 0.396 8.756 8.360 0.000 0.000 0.394 270 S N 0.286 115.991 115.700 0.009 0.000 2.543 270 S HA 0.575 5.051 4.470 0.011 0.000 0.273 270 S C -0.208 174.380 174.600 -0.020 0.000 1.152 270 S CA -0.183 58.018 58.200 0.002 0.000 0.910 270 S CB 1.422 64.642 63.200 0.033 0.000 1.105 270 S HN 0.630 8.940 8.310 0.000 0.000 0.465 271 G N 2.846 111.670 108.800 0.039 0.000 2.535 271 G HA2 0.147 4.113 3.960 0.011 0.000 0.200 271 G HA3 0.147 4.113 3.960 0.011 0.000 0.200 271 G C 1.061 175.986 174.900 0.041 0.000 1.388 271 G CA 0.103 45.183 45.100 -0.033 0.000 0.720 271 G HN 0.664 8.954 8.290 0.000 0.000 0.598 272 R N -0.760 119.854 120.500 0.190 0.000 2.094 272 R HA -0.161 4.185 4.340 0.011 0.000 0.239 272 R C 2.241 178.702 176.300 0.267 0.000 1.137 272 R CA 1.942 58.203 56.100 0.269 0.000 0.943 272 R CB -0.627 29.925 30.300 0.419 0.000 0.850 272 R HN 0.365 8.635 8.270 0.000 0.000 0.433 273 Y N 1.093 121.526 120.300 0.222 0.000 2.207 273 Y HA -0.170 4.386 4.550 0.011 0.000 0.287 273 Y C 1.879 177.982 175.900 0.339 0.000 1.156 273 Y CA 1.621 59.894 58.100 0.288 0.000 1.182 273 Y CB -0.122 38.557 38.460 0.366 0.000 0.979 273 Y HN 0.083 8.363 8.280 0.000 0.000 0.521 274 L N -0.978 120.388 121.223 0.238 0.000 2.217 274 L HA -0.132 4.214 4.340 0.011 0.000 0.211 274 L C 1.685 178.721 176.870 0.278 0.000 1.107 274 L CA 0.959 55.944 54.840 0.240 0.000 0.783 274 L CB -0.181 41.913 42.059 0.059 0.000 0.919 274 L HN 0.281 8.511 8.230 0.000 0.000 0.442 275 L N -2.275 119.060 121.223 0.187 0.000 2.803 275 L HA 0.244 4.590 4.340 0.011 0.000 0.246 275 L C 2.495 179.473 176.870 0.180 0.000 1.100 275 L CA 0.288 55.265 54.840 0.227 0.000 0.919 275 L CB -0.079 42.103 42.059 0.205 0.000 1.285 275 L HN 0.024 8.254 8.230 0.000 0.000 0.522 276 A N 0.650 123.545 122.820 0.126 0.000 1.884 276 A HA -0.295 4.031 4.320 0.011 0.000 0.219 276 A C 2.009 179.615 177.584 0.036 0.000 1.197 276 A CA 2.025 54.131 52.037 0.115 0.000 0.637 276 A CB -0.517 18.547 19.000 0.106 0.000 0.827 276 A HN 0.513 8.663 8.150 0.000 0.000 0.450 277 Q N -0.887 118.884 119.800 -0.048 0.000 2.482 277 Q HA 0.261 4.607 4.340 0.011 0.000 0.209 277 Q C 1.764 177.612 176.000 -0.254 0.000 0.961 277 Q CA 0.509 56.210 55.803 -0.171 0.000 0.945 277 Q CB -0.178 28.418 28.738 -0.235 0.000 1.012 277 Q HN 0.678 8.948 8.270 0.000 0.000 0.515 278 A N 0.260 123.084 122.820 0.007 0.000 2.251 278 A HA 0.445 4.772 4.320 0.011 0.000 0.209 278 A C 0.756 178.361 177.584 0.035 0.000 1.187 278 A CA 0.476 52.576 52.037 0.104 0.000 0.823 278 A CB 0.282 19.531 19.000 0.415 0.000 0.846 278 A HN 0.257 8.407 8.150 0.000 0.000 0.486 279 A N -1.217 121.569 122.820 -0.057 0.000 2.469 279 A HA 0.691 5.017 4.320 0.011 0.000 0.299 279 A C -0.982 176.510 177.584 -0.153 0.000 1.098 279 A CA -0.417 51.494 52.037 -0.210 0.000 0.737 279 A CB 1.488 20.159 19.000 -0.548 0.000 1.312 279 A HN 0.931 9.081 8.150 0.000 0.000 0.414 280 V N 1.078 120.896 119.914 -0.160 0.000 2.789 280 V HA 0.643 4.770 4.120 0.011 0.000 0.311 280 V C -1.897 174.094 176.094 -0.171 0.000 1.073 280 V CA -0.603 61.612 62.300 -0.142 0.000 0.921 280 V CB 1.840 33.584 31.823 -0.133 0.000 1.009 280 V HN 0.984 9.174 8.190 0.000 0.000 0.426 281 Y N 5.932 125.976 120.300 -0.426 0.000 2.385 281 Y HA 0.657 5.213 4.550 0.010 0.000 0.341 281 Y C -0.405 175.194 175.900 -0.501 0.000 0.965 281 Y CA -0.618 57.088 58.100 -0.657 0.000 1.180 281 Y CB 1.421 39.362 38.460 -0.865 0.000 1.139 281 Y HN 0.466 8.746 8.280 0.000 0.000 0.502 282 V N 6.438 125.810 119.914 -0.903 0.000 2.383 282 V HA 0.408 4.534 4.120 0.011 0.000 0.275 282 V C 0.124 175.606 176.094 -1.021 0.000 1.036 282 V CA -0.409 61.349 62.300 -0.904 0.000 0.889 282 V CB 1.181 32.359 31.823 -1.074 0.000 0.985 282 V HN 0.839 9.029 8.190 0.000 0.000 0.459 283 T N 3.922 118.069 114.554 -0.679 0.000 2.893 283 T HA 0.444 4.801 4.350 0.011 0.000 0.291 283 T C -0.809 173.715 174.700 -0.293 0.000 1.028 283 T CA -0.527 61.272 62.100 -0.501 0.000 0.995 283 T CB 1.735 70.371 68.868 -0.387 0.000 1.051 283 T HN 0.868 9.108 8.240 0.000 0.000 0.470 284 E N 2.877 122.948 120.200 -0.215 0.000 2.204 284 E HA 0.524 4.880 4.350 0.011 0.000 0.276 284 E C -0.750 175.791 176.600 -0.098 0.000 0.974 284 E CA -0.762 55.555 56.400 -0.138 0.000 0.815 284 E CB 1.286 30.916 29.700 -0.117 0.000 1.119 284 E HN 0.423 8.783 8.360 0.000 0.000 0.393 285 V N 6.406 126.278 119.914 -0.069 0.000 2.521 285 V HA -0.008 4.118 4.120 0.011 0.000 0.286 285 V C 1.143 177.168 176.094 -0.115 0.000 1.034 285 V CA 0.375 62.642 62.300 -0.055 0.000 1.045 285 V CB 0.764 32.574 31.823 -0.022 0.000 0.974 285 V HN 0.793 8.983 8.190 0.000 0.000 0.480 286 L N 4.449 125.570 121.223 -0.170 0.000 2.286 286 L HA 0.276 4.623 4.340 0.011 0.000 0.203 286 L C -0.186 176.255 176.870 -0.716 0.000 1.068 286 L CA 0.735 55.302 54.840 -0.455 0.000 0.811 286 L CB 0.124 41.897 42.059 -0.477 0.000 0.989 286 L HN 0.518 8.748 8.230 0.000 0.000 0.467 287 Y N -1.244 119.076 120.300 0.033 0.000 2.588 287 Y HA 0.574 5.130 4.550 0.010 0.000 0.343 287 Y C -0.415 175.511 175.900 0.043 0.000 1.065 287 Y CA -1.208 56.916 58.100 0.039 0.000 1.038 287 Y CB 1.547 40.025 38.460 0.030 0.000 1.297 287 Y HN -0.171 8.109 8.280 0.000 0.000 0.467 288 R N 2.564 123.198 120.500 0.223 0.000 2.575 288 R HA 0.650 4.997 4.340 0.011 0.000 0.293 288 R C -1.709 174.673 176.300 0.136 0.000 0.983 288 R CA -0.746 55.435 56.100 0.134 0.000 0.887 288 R CB 1.660 32.009 30.300 0.082 0.000 1.184 288 R HN 0.925 9.195 8.270 0.000 0.000 0.445 289 K N 1.858 122.336 120.400 0.129 0.000 2.555 289 K HA 0.717 5.043 4.320 0.011 0.000 0.279 289 K C -1.891 174.795 176.600 0.143 0.000 0.986 289 K CA -1.031 55.326 56.287 0.117 0.000 0.880 289 K CB 2.045 34.598 32.500 0.089 0.000 1.474 289 K HN 0.452 8.702 8.250 0.000 0.000 0.433 290 A N 0.543 123.432 122.820 0.114 0.000 2.337 290 A HA 0.684 5.010 4.320 0.011 0.000 0.329 290 A C -1.019 176.648 177.584 0.138 0.000 1.146 290 A CA -0.661 51.448 52.037 0.120 0.000 0.800 290 A CB 1.555 20.595 19.000 0.067 0.000 1.220 290 A HN 0.599 8.749 8.150 0.000 0.000 0.472 291 S N 0.956 116.775 115.700 0.199 0.000 2.668 291 S HA 0.509 4.986 4.470 0.011 0.000 0.277 291 S C -0.872 173.822 174.600 0.156 0.000 1.170 291 S CA -0.539 57.757 58.200 0.159 0.000 0.994 291 S CB 0.257 63.541 63.200 0.139 0.000 1.051 291 S HN 0.727 9.037 8.310 0.000 0.000 0.484 292 K N 3.005 123.456 120.400 0.085 0.000 3.156 292 K HA -0.175 4.152 4.320 0.011 0.000 0.266 292 K C 0.984 177.619 176.600 0.058 0.000 0.966 292 K CA 1.391 57.718 56.287 0.066 0.000 0.719 292 K CB -1.783 30.760 32.500 0.070 0.000 1.333 292 K HN 1.610 9.860 8.250 0.000 0.000 0.468 293 G N -1.459 107.369 108.800 0.047 0.000 2.179 293 G HA2 -0.347 3.619 3.960 0.011 0.000 0.260 293 G HA3 -0.347 3.619 3.960 0.011 0.000 0.260 293 G C -0.027 174.874 174.900 0.000 0.000 0.977 293 G CA 0.566 45.679 45.100 0.021 0.000 0.641 293 G HN 0.470 8.760 8.290 0.000 0.000 0.533 294 E N -0.817 119.393 120.200 0.017 0.000 2.249 294 E HA 0.650 5.006 4.350 0.011 0.000 0.263 294 E C -0.582 175.968 176.600 -0.083 0.000 0.950 294 E CA -0.955 55.394 56.400 -0.085 0.000 0.827 294 E CB 2.622 32.227 29.700 -0.158 0.000 1.220 294 E HN 0.087 8.447 8.360 0.000 0.000 0.411 295 V N 2.075 121.847 119.914 -0.237 0.000 2.513 295 V HA 0.403 4.529 4.120 0.011 0.000 0.299 295 V C -1.009 174.883 176.094 -0.337 0.000 1.035 295 V CA -0.573 61.631 62.300 -0.160 0.000 0.889 295 V CB 0.700 32.433 31.823 -0.150 0.000 0.988 295 V HN 0.483 8.673 8.190 0.000 0.000 0.440 296 F N 2.920 122.848 119.950 -0.036 0.000 2.520 296 F HA 0.677 5.210 4.527 0.010 0.000 0.322 296 F C -0.119 175.671 175.800 -0.017 0.000 1.103 296 F CA -0.809 57.177 58.000 -0.022 0.000 0.926 296 F CB 2.219 41.217 39.000 -0.005 0.000 1.154 296 F HN 0.148 8.448 8.300 0.000 0.000 0.453 297 V N 4.962 124.961 119.914 0.142 0.000 2.409 297 V HA 0.431 4.557 4.120 0.011 0.000 0.291 297 V C -0.501 175.668 176.094 0.125 0.000 1.020 297 V CA -0.657 61.694 62.300 0.085 0.000 0.848 297 V CB 1.564 33.385 31.823 -0.003 0.000 0.990 297 V HN 0.439 8.629 8.190 0.000 0.000 0.430 298 I N 6.254 126.906 120.570 0.136 0.000 2.321 298 I HA 0.494 4.670 4.170 0.011 0.000 0.291 298 I C 0.213 176.378 176.117 0.080 0.000 0.998 298 I CA -0.178 61.203 61.300 0.136 0.000 1.227 298 I CB 1.659 39.780 38.000 0.202 0.000 1.368 298 I HN 0.517 8.727 8.210 0.000 0.000 0.466 299 V N 1.838 121.787 119.914 0.059 0.000 3.096 299 V HA 0.590 4.716 4.120 0.011 0.000 0.319 299 V C 0.507 176.605 176.094 0.007 0.000 1.082 299 V CA -0.577 61.729 62.300 0.011 0.000 1.022 299 V CB 1.639 33.465 31.823 0.005 0.000 1.103 299 V HN 0.790 8.980 8.190 0.000 0.000 0.455 300 D N -0.035 120.346 120.400 -0.032 0.000 2.340 300 D HA 0.281 4.927 4.640 0.011 0.000 0.220 300 D C 0.600 176.905 176.300 0.009 0.000 1.039 300 D CA 0.706 54.696 54.000 -0.017 0.000 0.866 300 D CB 0.030 40.815 40.800 -0.025 0.000 0.913 300 D HN 0.927 9.297 8.370 0.000 0.000 0.523 301 G N -1.939 106.876 108.800 0.025 0.000 2.630 301 G HA2 0.702 4.668 3.960 0.011 0.000 0.296 301 G HA3 0.702 4.668 3.960 0.011 0.000 0.296 301 G C -0.258 174.765 174.900 0.205 0.000 1.285 301 G CA -0.416 44.762 45.100 0.130 0.000 0.958 301 G HN 0.431 8.721 8.290 0.000 0.000 0.479 302 G N -1.119 107.779 108.800 0.162 0.000 2.393 302 G HA2 0.315 4.281 3.960 0.011 0.000 0.264 302 G HA3 0.315 4.281 3.960 0.011 0.000 0.264 302 G C 0.950 175.906 174.900 0.093 0.000 1.221 302 G CA 0.271 45.472 45.100 0.168 0.000 0.912 302 G HN 0.790 9.080 8.290 0.000 0.000 0.483 303 M N 0.782 120.496 119.600 0.190 0.000 2.143 303 M HA -0.164 4.323 4.480 0.011 0.000 0.258 303 M C 2.323 178.735 176.300 0.187 0.000 1.071 303 M CA 2.661 58.058 55.300 0.161 0.000 1.088 303 M CB -0.414 32.292 32.600 0.177 0.000 1.360 303 M HN 0.716 9.006 8.290 0.000 0.000 0.404 304 H N -2.474 116.641 119.070 0.073 0.000 2.521 304 H HA -0.074 4.488 4.556 0.010 0.000 0.286 304 H C 0.834 176.317 175.328 0.257 0.000 1.034 304 H CA 1.692 57.821 56.048 0.135 0.000 1.278 304 H CB -0.985 28.839 29.762 0.102 0.000 1.386 304 H HN 0.681 8.961 8.280 0.000 0.000 0.567 305 H N -1.445 117.463 119.070 -0.270 0.000 2.695 305 H HA 0.090 4.653 4.556 0.011 0.000 0.267 305 H C 0.088 175.399 175.328 -0.029 0.000 0.973 305 H CA 0.164 56.126 56.048 -0.144 0.000 1.223 305 H CB 0.861 30.495 29.762 -0.213 0.000 1.442 305 H HN 0.327 8.607 8.280 0.000 0.000 0.478 306 H N 0.126 119.110 119.070 -0.143 0.000 2.538 306 H HA 0.410 4.972 4.556 0.010 0.000 0.239 306 H C 0.318 175.645 175.328 -0.002 0.000 1.401 306 H CA -0.076 55.900 56.048 -0.121 0.000 1.499 306 H CB 0.289 29.756 29.762 -0.491 0.000 1.624 306 H HN 0.299 8.579 8.280 0.000 0.000 0.524 307 A N 2.602 125.392 122.820 -0.049 0.000 1.972 307 A HA -0.022 4.304 4.320 0.011 0.000 0.219 307 A C 2.463 179.997 177.584 -0.083 0.000 1.169 307 A CA 1.415 53.419 52.037 -0.054 0.000 0.635 307 A CB -0.684 18.258 19.000 -0.098 0.000 0.810 307 A HN 0.683 8.833 8.150 0.000 0.000 0.446 308 A N 0.486 123.221 122.820 -0.143 0.000 1.948 308 A HA -0.020 4.306 4.320 0.011 0.000 0.220 308 A C 1.919 179.395 177.584 -0.179 0.000 1.177 308 A CA 1.711 53.671 52.037 -0.128 0.000 0.636 308 A CB -1.131 17.721 19.000 -0.246 0.000 0.815 308 A HN 0.912 9.062 8.150 0.000 0.000 0.449 322 M N 0.704 120.273 119.600 -0.051 0.000 2.484 322 M HA 0.531 5.017 4.480 0.011 0.000 0.289 322 M C -0.690 175.340 176.300 -0.450 0.000 1.206 322 M CA -0.666 54.485 55.300 -0.249 0.000 0.892 322 M CB 3.001 35.429 32.600 -0.286 0.000 1.712 322 M HN 0.544 8.834 8.290 0.000 0.000 0.462 323 E N 1.017 120.872 120.200 -0.574 0.000 2.256 323 E HA 0.549 4.905 4.350 0.011 0.000 0.267 323 E C -1.974 174.205 176.600 -0.702 0.000 0.892 323 E CA -0.629 55.476 56.400 -0.491 0.000 0.775 323 E CB 2.600 32.171 29.700 -0.215 0.000 1.207 323 E HN 0.450 8.810 8.360 0.000 0.000 0.420 324 Y N 1.116 121.402 120.300 -0.024 0.000 2.364 324 Y HA 0.456 5.012 4.550 0.011 0.000 0.340 324 Y C -0.370 175.516 175.900 -0.024 0.000 0.975 324 Y CA -1.018 57.064 58.100 -0.029 0.000 1.089 324 Y CB 0.983 39.429 38.460 -0.024 0.000 1.192 324 Y HN 0.306 8.586 8.280 0.000 0.000 0.454 325 I N 5.277 125.901 120.570 0.090 0.000 2.382 325 I HA 0.464 4.640 4.170 0.011 0.000 0.286 325 I C -2.344 173.807 176.117 0.058 0.000 1.002 325 I CA -2.558 58.773 61.300 0.051 0.000 1.135 325 I CB 1.241 39.243 38.000 0.004 0.000 1.288 325 I HN 0.393 8.603 8.210 0.000 0.000 0.448 337 E N 0.313 120.466 120.200 -0.079 0.000 2.430 337 E HA 0.520 4.876 4.350 0.011 0.000 0.279 337 E C -1.550 174.903 176.600 -0.244 0.000 1.003 337 E CA -1.232 55.095 56.400 -0.121 0.000 0.801 337 E CB 2.554 32.173 29.700 -0.135 0.000 1.313 337 E HN 0.372 8.732 8.360 0.000 0.000 0.459 338 K N 1.669 121.877 120.400 -0.320 0.000 2.276 338 K HA 0.459 4.785 4.320 0.011 0.000 0.285 338 K C -1.413 174.971 176.600 -0.360 0.000 1.062 338 K CA -0.531 55.442 56.287 -0.524 0.000 0.918 338 K CB 1.415 33.637 32.500 -0.463 0.000 1.055 338 K HN 0.391 8.641 8.250 0.000 0.000 0.477 339 V N 2.943 122.646 119.914 -0.351 0.000 3.147 339 V HA 0.427 4.553 4.120 0.011 0.000 0.306 339 V C -1.398 174.522 176.094 -0.290 0.000 1.209 339 V CA -0.477 61.633 62.300 -0.316 0.000 1.023 339 V CB 2.766 34.432 31.823 -0.261 0.000 1.059 339 V HN 0.880 9.070 8.190 0.000 0.000 0.435 340 T N 6.310 120.650 114.554 -0.357 0.000 2.779 340 T HA 0.588 4.944 4.350 0.011 0.000 0.280 340 T C -0.635 174.031 174.700 -0.057 0.000 0.987 340 T CA -0.230 61.728 62.100 -0.236 0.000 0.966 340 T CB 0.857 69.484 68.868 -0.400 0.000 0.933 340 T HN 0.438 8.678 8.240 0.000 0.000 0.442 341 I N 3.385 123.973 120.570 0.030 0.000 2.312 341 I HA 0.594 4.770 4.170 0.011 0.000 0.290 341 I C 0.443 176.638 176.117 0.130 0.000 1.008 341 I CA -0.883 60.469 61.300 0.087 0.000 1.226 341 I CB 0.362 38.422 38.000 0.100 0.000 1.371 341 I HN 0.657 8.867 8.210 0.000 0.000 0.468 342 A N 4.926 127.840 122.820 0.156 0.000 2.356 342 A HA 0.882 5.208 4.320 0.011 0.000 0.323 342 A C 0.315 177.968 177.584 0.115 0.000 1.119 342 A CA -0.408 51.717 52.037 0.148 0.000 0.790 342 A CB 1.384 20.487 19.000 0.171 0.000 1.273 342 A HN 0.750 8.900 8.150 0.000 0.000 0.452 343 G N -0.215 108.646 108.800 0.103 0.000 2.535 343 G HA2 0.527 4.493 3.960 0.011 0.000 0.282 343 G HA3 0.527 4.493 3.960 0.011 0.000 0.282 343 G C -1.624 173.302 174.900 0.045 0.000 1.350 343 G CA -0.846 44.305 45.100 0.086 0.000 1.039 343 G HN 0.495 8.785 8.290 0.000 0.000 0.509 344 P HA 0.127 4.547 4.420 0.000 0.000 0.255 344 P C 0.407 177.649 177.300 -0.096 0.000 1.248 344 P CA 0.047 63.114 63.100 -0.055 0.000 0.807 344 P CB 0.251 31.876 31.700 -0.126 0.000 1.150 345 L N 0.035 121.190 121.223 -0.113 0.000 2.436 345 L HA 0.177 4.524 4.340 0.011 0.000 0.265 345 L C 0.824 177.663 176.870 -0.052 0.000 1.168 345 L CA -0.582 54.193 54.840 -0.108 0.000 0.815 345 L CB 0.406 42.415 42.059 -0.083 0.000 1.109 345 L HN -0.102 8.128 8.230 0.000 0.000 0.462 346 C N 1.787 121.037 119.300 -0.083 0.000 3.057 346 C HA 0.325 4.791 4.460 0.011 0.000 0.563 346 C C 0.776 175.758 174.990 -0.013 0.000 1.129 346 C CA -0.035 58.948 59.018 -0.057 0.000 1.284 346 C CB -1.623 26.069 27.740 -0.080 0.000 1.532 346 C HN 0.719 8.949 8.230 0.000 0.000 0.631 347 T N 0.746 115.315 114.554 0.024 0.000 3.159 347 T HA 0.305 4.661 4.350 0.011 0.000 0.343 347 T C -2.044 172.690 174.700 0.058 0.000 1.364 347 T CA -0.643 61.499 62.100 0.069 0.000 1.102 347 T CB 1.778 70.744 68.868 0.163 0.000 1.263 347 T HN 0.108 8.348 8.240 0.000 0.000 0.477 348 P HA 0.016 4.436 4.420 0.000 0.000 0.228 348 P C 0.822 178.163 177.300 0.068 0.000 1.151 348 P CA 0.715 63.843 63.100 0.046 0.000 0.770 348 P CB 0.358 32.079 31.700 0.034 0.000 0.786 349 E N 0.251 120.496 120.200 0.074 0.000 2.347 349 E HA -0.098 4.259 4.350 0.011 0.000 0.196 349 E C 0.509 177.162 176.600 0.088 0.000 1.008 349 E CA 0.645 57.090 56.400 0.074 0.000 0.852 349 E CB -0.618 29.122 29.700 0.068 0.000 0.783 349 E HN 0.287 8.647 8.360 0.000 0.000 0.505 350 D N 0.775 121.236 120.400 0.101 0.000 2.688 350 D HA -0.008 4.638 4.640 0.011 0.000 0.228 350 D C -1.235 175.130 176.300 0.108 0.000 1.116 350 D CA -0.116 53.951 54.000 0.110 0.000 1.023 350 D CB -0.615 40.248 40.800 0.106 0.000 1.100 350 D HN -0.075 8.295 8.370 0.000 0.000 0.487 351 C N 3.786 123.149 119.300 0.106 0.000 2.340 351 C HA 0.386 4.853 4.460 0.011 0.000 0.323 351 C C 1.227 176.284 174.990 0.112 0.000 1.260 351 C CA -0.742 58.344 59.018 0.113 0.000 1.464 351 C CB -0.413 27.392 27.740 0.108 0.000 2.156 351 C HN 0.514 8.744 8.230 0.000 0.000 0.476 352 L N 4.677 125.973 121.223 0.123 0.000 2.209 352 L HA 0.375 4.721 4.340 0.011 0.000 0.207 352 L C 1.526 178.473 176.870 0.128 0.000 1.094 352 L CA 1.380 56.301 54.840 0.134 0.000 0.790 352 L CB -0.501 41.645 42.059 0.145 0.000 0.932 352 L HN 0.910 9.140 8.230 0.000 0.000 0.447 353 G N -0.489 108.378 108.800 0.110 0.000 2.734 353 G HA2 0.398 4.364 3.960 0.011 0.000 0.293 353 G HA3 0.398 4.364 3.960 0.011 0.000 0.293 353 G C -1.430 173.500 174.900 0.051 0.000 1.422 353 G CA -0.554 44.603 45.100 0.095 0.000 1.177 353 G HN -0.175 8.115 8.290 0.000 0.000 0.565 354 K N 2.307 122.728 120.400 0.035 0.000 2.235 354 K HA 0.416 4.742 4.320 0.011 0.000 0.266 354 K C -0.277 176.302 176.600 -0.035 0.000 0.980 354 K CA -0.538 55.746 56.287 -0.004 0.000 0.849 354 K CB 0.738 33.248 32.500 0.018 0.000 1.098 354 K HN 0.491 8.741 8.250 0.000 0.000 0.445 355 D N 1.631 121.966 120.400 -0.109 0.000 2.708 355 D HA -0.157 4.489 4.640 0.011 0.000 0.236 355 D C 0.086 176.310 176.300 -0.127 0.000 1.146 355 D CA 1.101 55.013 54.000 -0.147 0.000 0.662 355 D CB -1.437 39.316 40.800 -0.078 0.000 1.059 355 D HN 0.354 8.724 8.370 0.000 0.000 0.428 356 V N -1.673 118.172 119.914 -0.116 0.000 2.686 356 V HA 0.469 4.596 4.120 0.011 0.000 0.295 356 V C 0.389 176.384 176.094 -0.165 0.000 1.057 356 V CA -0.389 61.895 62.300 -0.027 0.000 1.012 356 V CB 1.532 33.376 31.823 0.034 0.000 1.006 356 V HN 0.075 8.265 8.190 0.000 0.000 0.477 357 H N 2.913 121.952 119.070 -0.053 0.000 2.640 357 H HA 0.783 5.346 4.556 0.011 0.000 0.297 357 H C -0.080 175.180 175.328 -0.113 0.000 1.073 357 H CA 0.000 56.002 56.048 -0.078 0.000 1.305 357 H CB 1.316 31.050 29.762 -0.047 0.000 1.404 357 H HN 0.778 9.058 8.280 0.000 0.000 0.459 358 V N 4.733 124.564 119.914 -0.140 0.000 3.087 358 V HA 0.473 4.599 4.120 0.011 0.000 0.306 358 V C -2.656 173.284 176.094 -0.255 0.000 1.187 358 V CA -2.651 59.482 62.300 -0.279 0.000 0.999 358 V CB 2.763 34.162 31.823 -0.706 0.000 1.049 358 V HN 0.490 8.680 8.190 0.000 0.000 0.431 359 P HA 0.201 4.621 4.420 0.000 0.000 0.265 359 P C -0.522 176.662 177.300 -0.193 0.000 1.187 359 P CA 0.489 63.506 63.100 -0.138 0.000 0.766 359 P CB 0.387 32.042 31.700 -0.074 0.000 0.820 360 A N 4.140 126.867 122.820 -0.155 0.000 2.583 360 A HA -0.011 4.315 4.320 0.011 0.000 0.249 360 A C 0.048 177.402 177.584 -0.383 0.000 1.035 360 A CA 0.541 52.408 52.037 -0.283 0.000 0.777 360 A CB -0.965 17.916 19.000 -0.199 0.000 0.942 360 A HN 0.495 8.645 8.150 0.000 0.000 0.516 361 L N 2.766 123.701 121.223 -0.480 0.000 2.307 361 L HA 0.575 4.922 4.340 0.011 0.000 0.282 361 L C -0.640 175.901 176.870 -0.549 0.000 1.051 361 L CA -0.456 54.177 54.840 -0.345 0.000 0.804 361 L CB 1.036 42.975 42.059 -0.200 0.000 1.197 361 L HN 0.738 8.968 8.230 0.000 0.000 0.431 362 Y N 1.754 122.047 120.300 -0.012 0.000 2.576 362 Y HA 0.428 4.984 4.550 0.010 0.000 0.346 362 Y C -2.214 173.676 175.900 -0.017 0.000 1.018 362 Y CA -2.743 55.352 58.100 -0.007 0.000 1.050 362 Y CB 1.214 39.669 38.460 -0.007 0.000 1.280 362 Y HN 0.403 8.683 8.280 0.000 0.000 0.474 363 P HA 0.083 4.503 4.420 0.000 0.000 0.261 363 P C 0.614 177.928 177.300 0.023 0.000 1.173 363 P CA 2.298 65.414 63.100 0.027 0.000 0.760 363 P CB 0.346 32.048 31.700 0.004 0.000 0.783 364 G N 2.270 111.059 108.800 -0.017 0.000 2.284 364 G HA2 -0.179 3.787 3.960 0.011 0.000 0.216 364 G HA3 -0.179 3.787 3.960 0.011 0.000 0.216 364 G C 0.069 174.967 174.900 -0.003 0.000 1.009 364 G CA -0.334 44.758 45.100 -0.013 0.000 0.625 364 G HN 0.492 8.782 8.290 0.000 0.000 0.501 365 D N 0.780 121.193 120.400 0.021 0.000 2.378 365 D HA 0.516 5.162 4.640 0.011 0.000 0.238 365 D C 0.816 177.112 176.300 -0.007 0.000 1.180 365 D CA 0.324 54.341 54.000 0.027 0.000 0.895 365 D CB 0.735 41.569 40.800 0.056 0.000 1.192 365 D HN 0.379 8.749 8.370 0.000 0.000 0.438 366 L N 0.668 121.885 121.223 -0.011 0.000 2.329 366 L HA 0.438 4.785 4.340 0.011 0.000 0.279 366 L C -0.476 176.363 176.870 -0.051 0.000 1.014 366 L CA -1.030 53.769 54.840 -0.068 0.000 0.814 366 L CB 1.883 43.880 42.059 -0.102 0.000 1.257 366 L HN -0.041 8.189 8.230 0.000 0.000 0.424 367 V N 1.752 121.606 119.914 -0.100 0.000 2.384 367 V HA 0.319 4.446 4.120 0.011 0.000 0.287 367 V C -0.386 175.564 176.094 -0.241 0.000 1.020 367 V CA -0.467 61.762 62.300 -0.118 0.000 0.850 367 V CB 1.613 33.429 31.823 -0.012 0.000 0.987 367 V HN 0.833 9.023 8.190 0.000 0.000 0.436 368 C N 5.213 124.328 119.300 -0.308 0.000 2.298 368 C HA 0.574 5.040 4.460 0.011 0.000 0.323 368 C C 0.288 175.133 174.990 -0.242 0.000 1.284 368 C CA -0.918 57.932 59.018 -0.279 0.000 1.577 368 C CB 0.875 28.469 27.740 -0.244 0.000 2.249 368 C HN 0.621 8.851 8.230 0.000 0.000 0.497 369 V N 5.930 125.745 119.914 -0.165 0.000 2.348 369 V HA 0.265 4.391 4.120 0.011 0.000 0.270 369 V C 0.382 176.416 176.094 -0.101 0.000 1.037 369 V CA -0.060 62.186 62.300 -0.091 0.000 0.872 369 V CB 0.433 32.244 31.823 -0.019 0.000 1.002 369 V HN 0.701 8.891 8.190 0.000 0.000 0.464 370 L N 4.245 125.423 121.223 -0.074 0.000 2.475 370 L HA 0.420 4.766 4.340 0.011 0.000 0.253 370 L C 0.956 177.825 176.870 -0.001 0.000 1.198 370 L CA -0.628 54.170 54.840 -0.070 0.000 0.814 370 L CB 0.167 42.175 42.059 -0.083 0.000 1.134 370 L HN 0.700 8.930 8.230 0.000 0.000 0.478 371 N N 0.102 118.785 118.700 -0.029 0.000 2.714 371 N HA -0.169 4.577 4.740 0.011 0.000 0.252 371 N C 0.142 175.765 175.510 0.187 0.000 1.014 371 N CA 0.978 54.048 53.050 0.034 0.000 0.735 371 N CB -1.109 37.372 38.487 -0.010 0.000 0.924 371 N HN 0.563 8.943 8.380 0.000 0.000 0.540 372 S N -1.397 114.362 115.700 0.098 0.000 2.582 372 S HA 0.230 4.706 4.470 0.011 0.000 0.234 372 S C 1.740 176.467 174.600 0.212 0.000 0.961 372 S CA 0.071 58.361 58.200 0.150 0.000 0.953 372 S CB 0.718 63.843 63.200 -0.125 0.000 0.800 372 S HN 0.617 8.927 8.310 0.000 0.000 0.471 373 G N 1.023 109.920 108.800 0.162 0.000 2.712 373 G HA2 0.433 4.400 3.960 0.011 0.000 0.212 373 G HA3 0.433 4.400 3.960 0.011 0.000 0.212 373 G C 0.295 175.309 174.900 0.189 0.000 1.142 373 G CA 0.407 45.634 45.100 0.212 0.000 0.789 373 G HN 0.573 8.863 8.290 0.000 0.000 0.535 374 A N -1.066 121.843 122.820 0.148 0.000 2.386 374 A HA 0.627 4.954 4.320 0.011 0.000 0.311 374 A C -0.376 177.214 177.584 0.010 0.000 1.068 374 A CA -0.877 51.140 52.037 -0.033 0.000 0.743 374 A CB 0.661 19.657 19.000 -0.007 0.000 1.258 374 A HN 0.624 8.774 8.150 0.000 0.000 0.429 375 Y N -0.113 120.176 120.300 -0.019 0.000 3.078 375 Y HA -0.267 4.290 4.550 0.011 0.000 0.202 375 Y C 1.293 177.221 175.900 0.046 0.000 1.322 375 Y CA 1.109 59.109 58.100 -0.167 0.000 1.118 375 Y CB -1.503 36.623 38.460 -0.556 0.000 1.343 375 Y HN 1.078 9.358 8.280 0.000 0.000 0.499 376 G N -0.342 108.581 108.800 0.205 0.000 2.754 376 G HA2 0.211 4.178 3.960 0.011 0.000 0.210 376 G HA3 0.211 4.178 3.960 0.011 0.000 0.210 376 G C 1.113 176.164 174.900 0.252 0.000 2.092 376 G CA 0.091 45.393 45.100 0.338 0.000 0.766 376 G HN 0.372 8.662 8.290 0.000 0.000 0.745 377 L N 1.129 122.362 121.223 0.016 0.000 1.963 377 L HA -0.180 4.167 4.340 0.011 0.000 0.220 377 L C 3.062 179.988 176.870 0.092 0.000 1.076 377 L CA 2.867 57.736 54.840 0.050 0.000 0.772 377 L CB -0.319 41.675 42.059 -0.109 0.000 0.892 377 L HN 0.439 8.669 8.230 0.000 0.000 0.435 378 S N -1.510 114.229 115.700 0.066 0.000 2.547 378 S HA -0.182 4.294 4.470 0.011 0.000 0.235 378 S C 1.508 176.213 174.600 0.175 0.000 0.980 378 S CA 0.633 58.884 58.200 0.085 0.000 0.941 378 S CB -0.635 62.594 63.200 0.048 0.000 0.763 378 S HN 0.524 8.834 8.310 0.000 0.000 0.532 379 F N 2.660 122.643 119.950 0.055 0.000 2.727 379 F HA 0.447 4.980 4.527 0.010 0.000 0.302 379 F C 0.344 176.174 175.800 0.051 0.000 1.097 379 F CA -0.716 57.333 58.000 0.081 0.000 1.330 379 F CB 0.138 39.225 39.000 0.144 0.000 1.084 379 F HN 0.049 8.349 8.300 0.000 0.000 0.578 380 S N 2.046 117.768 115.700 0.038 0.000 2.638 380 S HA 0.388 4.865 4.470 0.011 0.000 0.298 380 S C -2.475 172.123 174.600 -0.005 0.000 1.111 380 S CA -1.225 56.965 58.200 -0.017 0.000 1.027 380 S CB 1.307 64.567 63.200 0.100 0.000 1.064 380 S HN -0.000 8.310 8.310 0.000 0.000 0.525 381 P HA 0.106 4.526 4.420 0.000 0.000 0.237 381 P C 1.170 178.583 177.300 0.187 0.000 1.788 381 P CA -0.217 62.910 63.100 0.045 0.000 1.061 381 P CB -0.384 31.310 31.700 -0.009 0.000 1.967 382 V N -0.244 119.742 119.914 0.120 0.000 2.527 382 V HA -0.256 3.870 4.120 0.011 0.000 0.255 382 V C 1.448 177.760 176.094 0.364 0.000 1.081 382 V CA 1.512 63.941 62.300 0.215 0.000 1.092 382 V CB -1.992 29.860 31.823 0.049 0.000 0.673 382 V HN 0.452 8.642 8.190 0.000 0.000 0.470 383 H N -1.822 117.399 119.070 0.252 0.000 2.586 383 H HA 0.320 4.882 4.556 0.010 0.000 0.273 383 H C 0.382 175.862 175.328 0.252 0.000 0.997 383 H CA -0.568 55.613 56.048 0.221 0.000 1.177 383 H CB 0.295 30.152 29.762 0.157 0.000 1.471 383 H HN 0.470 8.750 8.280 0.000 0.000 0.538 384 F N 1.945 122.023 119.950 0.214 0.000 2.533 384 F HA 0.048 4.581 4.527 0.010 0.000 0.378 384 F C 0.346 176.211 175.800 0.108 0.000 1.070 384 F CA -0.654 57.424 58.000 0.130 0.000 1.172 384 F CB 0.066 39.126 39.000 0.100 0.000 1.085 384 F HN 0.086 8.386 8.300 0.000 0.000 0.552 385 L N 4.849 125.900 121.223 -0.287 0.000 4.950 385 L HA -0.173 4.173 4.340 0.011 0.000 0.413 385 L C 1.246 177.983 176.870 -0.222 0.000 1.020 385 L CA 0.994 55.633 54.840 -0.334 0.000 1.239 385 L CB -1.997 39.818 42.059 -0.407 0.000 2.004 385 L HN 1.093 9.323 8.230 0.000 0.000 0.658 386 G N -1.362 107.397 108.800 -0.067 0.000 2.203 386 G HA2 -0.356 3.611 3.960 0.011 0.000 0.263 386 G HA3 -0.356 3.611 3.960 0.011 0.000 0.263 386 G C 0.254 175.102 174.900 -0.088 0.000 1.012 386 G CA 0.766 45.825 45.100 -0.068 0.000 0.749 386 G HN 0.689 8.979 8.290 0.000 0.000 0.512 387 H N 0.592 119.689 119.070 0.046 0.000 2.562 387 H HA 0.444 5.006 4.556 0.011 0.000 0.352 387 H C -1.883 173.602 175.328 0.262 0.000 1.125 387 H CA -1.104 55.011 56.048 0.112 0.000 1.379 387 H CB 0.574 30.363 29.762 0.045 0.000 1.464 387 H HN 0.139 8.419 8.280 0.000 0.000 0.563 388 P HA -0.008 4.412 4.420 0.000 0.000 0.268 388 P C -0.370 177.204 177.300 0.456 0.000 1.205 388 P CA -0.251 63.046 63.100 0.328 0.000 0.771 388 P CB 0.446 32.294 31.700 0.246 0.000 0.858 389 T N 1.854 116.616 114.554 0.348 0.000 2.903 389 T HA 0.239 4.595 4.350 0.011 0.000 0.314 389 T C -2.083 172.657 174.700 0.067 0.000 1.078 389 T CA -1.340 60.903 62.100 0.238 0.000 1.114 389 T CB -0.304 68.672 68.868 0.181 0.000 0.987 389 T HN 0.266 8.506 8.240 0.000 0.000 0.548 390 P HA 0.369 4.789 4.420 0.000 0.000 0.276 390 P C -0.200 177.154 177.300 0.089 0.000 1.244 390 P CA -0.739 62.310 63.100 -0.084 0.000 0.801 390 P CB 0.758 32.321 31.700 -0.229 0.000 1.006 391 I N 1.084 121.744 120.570 0.150 0.000 2.638 391 I HA 0.134 4.310 4.170 0.011 0.000 0.286 391 I C 1.073 177.272 176.117 0.137 0.000 1.088 391 I CA 0.151 61.516 61.300 0.108 0.000 1.397 391 I CB 0.311 38.352 38.000 0.068 0.000 1.414 391 I HN 0.265 8.475 8.210 0.000 0.000 0.566 392 E N 5.474 125.715 120.200 0.068 0.000 2.210 392 E HA 0.534 4.890 4.350 0.011 0.000 0.266 392 E C -1.405 175.172 176.600 -0.038 0.000 0.883 392 E CA -0.756 55.733 56.400 0.149 0.000 0.761 392 E CB 2.533 32.363 29.700 0.217 0.000 1.156 392 E HN 0.261 8.621 8.360 0.000 0.000 0.412 393 I N 2.601 123.140 120.570 -0.052 0.000 2.509 393 I HA 0.279 4.455 4.170 0.011 0.000 0.293 393 I C -1.005 175.148 176.117 0.061 0.000 1.020 393 I CA -0.775 60.397 61.300 -0.213 0.000 1.088 393 I CB 1.505 39.137 38.000 -0.614 0.000 1.267 393 I HN 0.335 8.545 8.210 0.000 0.000 0.430 394 L N 6.298 127.537 121.223 0.027 0.000 2.319 394 L HA 0.542 4.889 4.340 0.011 0.000 0.281 394 L C -0.437 176.478 176.870 0.074 0.000 1.005 394 L CA -0.328 54.562 54.840 0.084 0.000 0.828 394 L CB 0.910 42.962 42.059 -0.011 0.000 1.227 394 L HN 0.584 8.814 8.230 0.000 0.000 0.415 395 K N 5.775 126.236 120.400 0.102 0.000 2.183 395 K HA 0.646 4.972 4.320 0.011 0.000 0.274 395 K C -0.927 175.640 176.600 -0.053 0.000 1.009 395 K CA -0.646 55.622 56.287 -0.030 0.000 0.888 395 K CB 0.744 33.259 32.500 0.025 0.000 1.078 395 K HN 0.781 9.031 8.250 0.000 0.000 0.459 396 R N 3.403 123.827 120.500 -0.128 0.000 2.579 396 R HA 0.105 4.452 4.340 0.011 0.000 0.260 396 R C -1.031 175.213 176.300 -0.094 0.000 1.103 396 R CA -0.437 55.623 56.100 -0.067 0.000 0.942 396 R CB 0.873 31.159 30.300 -0.024 0.000 1.251 396 R HN 0.929 9.199 8.270 0.000 0.000 0.450 397 N N 1.869 120.532 118.700 -0.062 0.000 2.721 397 N HA -0.208 4.538 4.740 0.011 0.000 0.249 397 N C 0.512 175.967 175.510 -0.091 0.000 1.072 397 N CA 1.728 54.743 53.050 -0.058 0.000 0.710 397 N CB -1.098 37.365 38.487 -0.039 0.000 0.993 397 N HN 1.081 9.461 8.380 0.000 0.000 0.547 398 G N -2.361 106.357 108.800 -0.136 0.000 2.162 398 G HA2 -0.317 3.650 3.960 0.011 0.000 0.260 398 G HA3 -0.317 3.650 3.960 0.011 0.000 0.260 398 G C 0.091 174.834 174.900 -0.262 0.000 0.976 398 G CA 0.751 45.748 45.100 -0.170 0.000 0.655 398 G HN 0.620 8.910 8.290 0.000 0.000 0.533 399 S N -1.324 114.186 115.700 -0.316 0.000 2.677 399 S HA 0.820 5.296 4.470 0.011 0.000 0.304 399 S C -1.139 173.173 174.600 -0.480 0.000 1.108 399 S CA -0.622 57.397 58.200 -0.302 0.000 0.944 399 S CB 1.548 64.681 63.200 -0.112 0.000 1.127 399 S HN 0.322 8.632 8.310 0.000 0.000 0.511 400 Y N 0.975 121.292 120.300 0.029 0.000 2.350 400 Y HA 0.509 5.065 4.550 0.010 0.000 0.338 400 Y C 0.118 176.025 175.900 0.012 0.000 0.961 400 Y CA -0.623 57.491 58.100 0.023 0.000 1.100 400 Y CB 1.359 39.872 38.460 0.088 0.000 1.179 400 Y HN 0.589 8.869 8.280 0.000 0.000 0.454 401 E N 3.319 123.568 120.200 0.083 0.000 2.210 401 E HA 0.379 4.736 4.350 0.011 0.000 0.266 401 E C -1.626 174.923 176.600 -0.084 0.000 0.883 401 E CA -1.185 55.212 56.400 -0.005 0.000 0.761 401 E CB 1.546 31.205 29.700 -0.069 0.000 1.156 401 E HN 0.643 9.003 8.360 0.000 0.000 0.412 402 L N 6.770 127.947 121.223 -0.076 0.000 2.369 402 L HA 0.193 4.540 4.340 0.011 0.000 0.279 402 L C 0.336 177.083 176.870 -0.206 0.000 1.108 402 L CA 0.587 55.347 54.840 -0.134 0.000 0.852 402 L CB 0.375 42.430 42.059 -0.008 0.000 1.169 402 L HN 0.673 8.903 8.230 0.000 0.000 0.452 403 I N 1.653 122.100 120.570 -0.206 0.000 4.025 403 I HA 0.454 4.630 4.170 0.011 0.000 0.336 403 I C 0.315 176.402 176.117 -0.050 0.000 1.390 403 I CA -0.310 60.821 61.300 -0.282 0.000 1.099 403 I CB -0.080 37.794 38.000 -0.211 0.000 1.049 403 I HN 0.643 8.853 8.210 0.000 0.000 0.394 404 R N 2.610 123.093 120.500 -0.028 0.000 2.678 404 R HA 0.314 4.660 4.340 0.011 0.000 0.267 404 R C -0.913 175.406 176.300 0.031 0.000 1.173 404 R CA -0.567 55.552 56.100 0.031 0.000 1.061 404 R CB 1.611 31.942 30.300 0.052 0.000 1.262 404 R HN 0.423 8.693 8.270 0.000 0.000 0.427 405 R N 2.685 123.212 120.500 0.045 0.000 2.637 405 R HA 0.246 4.592 4.340 0.011 0.000 0.269 405 R C -0.462 175.886 176.300 0.080 0.000 1.089 405 R CA -0.730 55.406 56.100 0.060 0.000 1.177 405 R CB 0.865 31.199 30.300 0.057 0.000 1.091 405 R HN 0.411 8.681 8.270 0.000 0.000 0.540 406 K N 0.989 121.447 120.400 0.096 0.000 2.448 406 K HA 0.076 4.402 4.320 0.011 0.000 0.278 406 K C 0.001 176.669 176.600 0.113 0.000 1.009 406 K CA 0.192 56.549 56.287 0.117 0.000 0.995 406 K CB 0.511 33.088 32.500 0.127 0.000 0.917 406 K HN 0.783 9.033 8.250 0.000 0.000 0.481 407 G N 1.777 110.660 108.800 0.138 0.000 2.606 407 G HA2 0.238 4.204 3.960 0.011 0.000 0.252 407 G HA3 0.238 4.204 3.960 0.011 0.000 0.252 407 G C -0.374 174.596 174.900 0.116 0.000 1.206 407 G CA -0.275 44.908 45.100 0.138 0.000 0.861 407 G HN 0.758 9.048 8.290 0.000 0.000 0.561 408 T N -3.039 111.567 114.554 0.087 0.000 2.907 408 T HA 0.601 4.957 4.350 0.011 0.000 0.290 408 T C 1.302 176.020 174.700 0.030 0.000 1.066 408 T CA 0.182 62.317 62.100 0.059 0.000 1.012 408 T CB 1.683 70.577 68.868 0.045 0.000 1.184 408 T HN 0.917 9.157 8.240 0.000 0.000 0.522 409 A N 0.447 123.275 122.820 0.014 0.000 2.019 409 A HA -0.021 4.305 4.320 0.011 0.000 0.219 409 A C 1.837 179.405 177.584 -0.027 0.000 1.164 409 A CA 1.517 53.544 52.037 -0.015 0.000 0.644 409 A CB -0.969 18.022 19.000 -0.015 0.000 0.805 409 A HN 0.891 9.041 8.150 0.000 0.000 0.449 410 D N 0.355 120.750 120.400 -0.008 0.000 2.219 410 D HA -0.114 4.533 4.640 0.011 0.000 0.205 410 D C 0.951 177.242 176.300 -0.014 0.000 0.970 410 D CA 1.084 55.079 54.000 -0.008 0.000 0.851 410 D CB -0.310 40.493 40.800 0.006 0.000 0.943 410 D HN 0.398 8.768 8.370 0.000 0.000 0.488 411 D N 0.508 120.902 120.400 -0.011 0.000 2.178 411 D HA -0.069 4.578 4.640 0.011 0.000 0.201 411 D C 2.273 178.518 176.300 -0.093 0.000 0.980 411 D CA 0.377 54.374 54.000 -0.004 0.000 0.842 411 D CB 0.038 40.866 40.800 0.048 0.000 0.948 411 D HN 0.338 8.708 8.370 0.000 0.000 0.472 412 I N 0.724 121.183 120.570 -0.185 0.000 2.233 412 I HA -0.165 4.011 4.170 0.011 0.000 0.243 412 I C 2.344 178.379 176.117 -0.137 0.000 1.093 412 I CA 0.692 61.803 61.300 -0.316 0.000 1.380 412 I CB -0.194 37.640 38.000 -0.277 0.000 1.067 412 I HN -0.080 8.130 8.210 0.000 0.000 0.413 413 V N -1.099 118.772 119.914 -0.073 0.000 3.461 413 V HA 0.177 4.304 4.120 0.011 0.000 0.267 413 V C 2.497 178.584 176.094 -0.011 0.000 1.186 413 V CA 0.772 63.053 62.300 -0.032 0.000 1.154 413 V CB -0.937 30.873 31.823 -0.023 0.000 0.802 413 V HN 0.271 8.461 8.190 0.000 0.000 0.474 414 A N 2.690 125.505 122.820 -0.008 0.000 1.869 414 A HA -0.283 4.043 4.320 0.011 0.000 0.218 414 A C 2.485 180.081 177.584 0.019 0.000 1.203 414 A CA 3.278 55.322 52.037 0.011 0.000 0.638 414 A CB -1.530 17.483 19.000 0.023 0.000 0.831 414 A HN 0.833 8.983 8.150 0.000 0.000 0.450 415 T N -2.673 111.898 114.554 0.028 0.000 3.072 415 T HA -0.035 4.322 4.350 0.011 0.000 0.266 415 T C 1.539 176.255 174.700 0.026 0.000 1.127 415 T CA 1.377 63.497 62.100 0.034 0.000 1.107 415 T CB -0.188 68.710 68.868 0.050 0.000 0.910 415 T HN 0.658 8.898 8.240 0.000 0.000 0.513 416 Q N -0.055 119.756 119.800 0.018 0.000 2.396 416 Q HA 0.378 4.725 4.340 0.011 0.000 0.209 416 Q C 0.592 176.599 176.000 0.011 0.000 0.906 416 Q CA 0.157 55.968 55.803 0.014 0.000 0.927 416 Q CB 0.315 29.058 28.738 0.009 0.000 1.069 416 Q HN 0.513 8.783 8.270 0.000 0.000 0.523 417 L N -0.355 120.874 121.223 0.010 0.000 2.492 417 L HA 0.659 5.005 4.340 0.011 0.000 0.263 417 L C 0.178 177.055 176.870 0.011 0.000 1.062 417 L CA -0.519 54.326 54.840 0.008 0.000 0.817 417 L CB 1.085 43.148 42.059 0.006 0.000 1.441 417 L HN 0.043 8.273 8.230 0.000 0.000 0.493 418 Q N 0.000 119.806 119.800 0.009 0.000 2.315 418 Q HA 0.000 4.346 4.340 0.011 0.000 0.214 418 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 418 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 418 Q HN 0.000 8.270 8.270 0.000 0.000 0.481