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 2o4g_1_B DATA FIRST_RESID 9 DATA SEQUENCE GHMQTLIFLD LEATGLPSSR PEVTELCLLA VHRRALENTS ISQGHPPPVP DATA SEQUENCE RPPRVVDKLS LCIAPGKACS PGASEITGLS KAELEVQGRQ RFDDNLAILL DATA SEQUENCE RAFLQRQPQP CCLVAHNGDR YDFPLLQTEL ARLSTPSPLD GTFCVDSIAA DATA SEQUENCE LKALEQAXXX XXXXXXKSYS LGSIYTRLYW QAPTDSHTAE GDVLTLLSIC DATA SEQUENCE QWKPQALLQW VDEHARPFST VKPMYG 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 9 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 9 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 9 G C 0.000 174.745 174.900 -0.259 0.000 0.946 9 G CA 0.000 44.907 45.100 -0.321 0.000 0.502 10 H N 1.066 120.064 119.070 -0.120 0.000 2.788 10 H HA 0.295 4.849 4.556 -0.004 0.000 0.262 10 H C 0.678 175.910 175.328 -0.160 0.000 0.968 10 H CA -0.386 55.581 56.048 -0.134 0.000 1.218 10 H CB 0.278 29.947 29.762 -0.156 0.000 1.443 10 H HN 0.304 8.584 8.280 0.000 0.000 0.478 11 M N 3.032 122.605 119.600 -0.045 0.000 2.427 11 M HA -0.005 4.473 4.480 -0.004 0.000 0.345 11 M C 0.855 177.080 176.300 -0.125 0.000 1.653 11 M CA 0.297 55.545 55.300 -0.086 0.000 1.138 11 M CB 1.238 33.777 32.600 -0.101 0.000 1.995 11 M HN 0.311 8.601 8.290 0.000 0.000 0.459 12 Q N 1.434 121.158 119.800 -0.127 0.000 2.212 12 Q HA 0.106 4.443 4.340 -0.004 0.000 0.199 12 Q C 0.072 175.867 176.000 -0.341 0.000 0.950 12 Q CA 0.942 56.597 55.803 -0.247 0.000 0.863 12 Q CB 0.347 29.015 28.738 -0.116 0.000 0.944 12 Q HN 0.620 8.890 8.270 0.000 0.000 0.465 13 T N 1.253 115.715 114.554 -0.154 0.000 2.881 13 T HA 0.546 4.894 4.350 -0.004 0.000 0.290 13 T C -0.449 174.210 174.700 -0.069 0.000 1.000 13 T CA -0.507 61.539 62.100 -0.090 0.000 0.978 13 T CB 1.477 70.333 68.868 -0.020 0.000 0.997 13 T HN -0.040 8.200 8.240 0.000 0.000 0.443 14 L N 3.971 125.149 121.223 -0.075 0.000 2.272 14 L HA 0.564 4.902 4.340 -0.004 0.000 0.289 14 L C -0.305 176.454 176.870 -0.185 0.000 1.032 14 L CA -0.797 53.930 54.840 -0.188 0.000 0.810 14 L CB 1.120 42.988 42.059 -0.319 0.000 1.205 14 L HN 0.542 8.772 8.230 0.000 0.000 0.422 15 I N 3.697 124.174 120.570 -0.156 0.000 2.337 15 I HA 0.230 4.398 4.170 -0.004 0.000 0.285 15 I C -0.332 175.748 176.117 -0.062 0.000 1.041 15 I CA -0.397 60.901 61.300 -0.002 0.000 1.199 15 I CB 0.524 38.577 38.000 0.090 0.000 1.370 15 I HN 0.363 8.573 8.210 0.000 0.000 0.470 16 F N 6.673 126.721 119.950 0.163 0.000 2.484 16 F HA 0.279 4.803 4.527 -0.004 0.000 0.360 16 F C 0.229 176.120 175.800 0.151 0.000 1.101 16 F CA -0.007 58.089 58.000 0.161 0.000 1.251 16 F CB 0.597 39.679 39.000 0.138 0.000 1.132 16 F HN 0.300 8.600 8.300 0.000 0.000 0.570 17 L N 3.702 125.110 121.223 0.309 0.000 2.464 17 L HA 0.565 4.903 4.340 -0.004 0.000 0.266 17 L C -1.892 175.100 176.870 0.202 0.000 0.965 17 L CA -0.341 54.637 54.840 0.229 0.000 0.833 17 L CB 1.822 44.026 42.059 0.243 0.000 1.296 17 L HN 0.650 8.880 8.230 0.000 0.000 0.405 18 D N 3.475 123.969 120.400 0.156 0.000 2.645 18 D HA 0.696 5.333 4.640 -0.004 0.000 0.228 18 D C -1.407 174.973 176.300 0.132 0.000 1.148 18 D CA -0.222 53.860 54.000 0.137 0.000 0.860 18 D CB 2.272 43.135 40.800 0.105 0.000 1.548 18 D HN 0.534 8.904 8.370 0.000 0.000 0.460 19 L N 1.765 123.084 121.223 0.160 0.000 2.370 19 L HA 0.580 4.918 4.340 -0.004 0.000 0.266 19 L C -0.151 176.834 176.870 0.192 0.000 1.002 19 L CA -1.002 53.944 54.840 0.176 0.000 0.818 19 L CB 1.907 44.091 42.059 0.209 0.000 1.325 19 L HN 0.316 8.546 8.230 0.000 0.000 0.418 20 E N 1.217 121.515 120.200 0.164 0.000 2.232 20 E HA 0.875 5.222 4.350 -0.004 0.000 0.264 20 E C -0.825 175.884 176.600 0.183 0.000 0.973 20 E CA -0.640 55.859 56.400 0.164 0.000 0.849 20 E CB 2.446 32.215 29.700 0.115 0.000 1.198 20 E HN 0.677 9.037 8.360 0.000 0.000 0.407 21 A N -0.494 122.433 122.820 0.179 0.000 2.581 21 A HA 0.450 4.767 4.320 -0.004 0.000 0.290 21 A C 0.596 178.259 177.584 0.131 0.000 1.119 21 A CA 0.032 52.176 52.037 0.179 0.000 0.670 21 A CB 0.558 19.718 19.000 0.268 0.000 1.280 21 A HN 0.562 8.712 8.150 0.000 0.000 0.425 22 T N -2.269 112.352 114.554 0.112 0.000 2.962 22 T HA 0.430 4.777 4.350 -0.004 0.000 0.270 22 T C 1.030 175.770 174.700 0.067 0.000 1.088 22 T CA 1.618 63.764 62.100 0.076 0.000 1.127 22 T CB -0.192 68.714 68.868 0.063 0.000 0.883 22 T HN 2.251 10.491 8.240 0.000 0.000 0.493 23 G N 0.003 108.863 108.800 0.100 0.000 2.428 23 G HA2 0.493 4.451 3.960 -0.004 0.000 0.305 23 G HA3 0.493 4.451 3.960 -0.004 0.000 0.305 23 G C -1.575 173.415 174.900 0.150 0.000 1.260 23 G CA -1.066 44.084 45.100 0.083 0.000 0.853 23 G HN 0.307 8.597 8.290 0.000 0.000 0.480 24 L N 0.870 122.159 121.223 0.110 0.000 2.468 24 L HA 0.304 4.642 4.340 -0.004 0.000 0.254 24 L C -1.248 175.733 176.870 0.185 0.000 1.171 24 L CA -1.638 53.299 54.840 0.163 0.000 0.809 24 L CB 1.480 43.580 42.059 0.067 0.000 1.155 24 L HN 0.303 8.533 8.230 0.000 0.000 0.473 25 P HA -0.182 4.238 4.420 0.000 0.000 0.217 25 P C 1.486 178.819 177.300 0.054 0.000 1.148 25 P CA 1.415 64.607 63.100 0.152 0.000 0.828 25 P CB 0.099 31.898 31.700 0.166 0.000 0.783 26 S N -0.861 114.862 115.700 0.037 0.000 2.442 26 S HA -0.122 4.345 4.470 -0.004 0.000 0.236 26 S C 1.892 176.464 174.600 -0.048 0.000 1.007 26 S CA 1.339 59.535 58.200 -0.006 0.000 0.965 26 S CB -1.474 61.728 63.200 0.003 0.000 0.773 26 S HN 0.272 8.582 8.310 0.000 0.000 0.504 27 S N 1.466 117.143 115.700 -0.038 0.000 2.603 27 S HA 0.139 4.607 4.470 -0.004 0.000 0.220 27 S C 0.470 174.977 174.600 -0.156 0.000 0.967 27 S CA -0.479 57.681 58.200 -0.067 0.000 0.920 27 S CB -0.692 62.496 63.200 -0.020 0.000 0.773 27 S HN 0.543 8.853 8.310 0.000 0.000 0.529 28 R N 0.305 120.650 120.500 -0.258 0.000 3.079 28 R HA -0.090 4.247 4.340 -0.004 0.000 0.254 28 R C -2.744 173.391 176.300 -0.275 0.000 0.900 28 R CA 0.534 56.235 56.100 -0.665 0.000 0.641 28 R CB -2.503 27.161 30.300 -1.061 0.000 1.307 28 R HN 0.455 8.725 8.270 0.000 0.000 0.477 29 P HA 0.128 4.548 4.420 0.000 0.000 0.274 29 P C -0.245 177.153 177.300 0.163 0.000 1.246 29 P CA 0.075 63.237 63.100 0.103 0.000 0.795 29 P CB 0.776 32.564 31.700 0.145 0.000 1.006 30 E N -0.385 119.884 120.200 0.116 0.000 2.238 30 E HA 0.354 4.702 4.350 -0.004 0.000 0.267 30 E C -0.714 175.948 176.600 0.104 0.000 0.887 30 E CA -1.237 55.223 56.400 0.101 0.000 0.769 30 E CB 1.974 31.730 29.700 0.094 0.000 1.187 30 E HN 0.098 8.458 8.360 0.000 0.000 0.416 31 V N 2.367 122.343 119.914 0.103 0.000 2.572 31 V HA -0.016 4.102 4.120 -0.004 0.000 0.291 31 V C 1.231 177.426 176.094 0.168 0.000 1.039 31 V CA 0.804 63.196 62.300 0.154 0.000 1.055 31 V CB 0.823 32.778 31.823 0.220 0.000 0.969 31 V HN 0.956 9.146 8.190 0.000 0.000 0.482 32 T N 0.537 115.175 114.554 0.139 0.000 2.985 32 T HA 0.308 4.656 4.350 -0.004 0.000 0.254 32 T C 0.279 175.032 174.700 0.089 0.000 1.021 32 T CA -0.065 62.099 62.100 0.107 0.000 0.957 32 T CB 0.469 69.389 68.868 0.087 0.000 1.047 32 T HN 0.642 8.882 8.240 0.000 0.000 0.511 33 E N 0.561 120.821 120.200 0.099 0.000 2.381 33 E HA 0.471 4.819 4.350 -0.004 0.000 0.286 33 E C -2.315 174.334 176.600 0.080 0.000 0.960 33 E CA -0.984 55.458 56.400 0.070 0.000 0.793 33 E CB 2.091 31.827 29.700 0.059 0.000 1.225 33 E HN 0.234 8.594 8.360 0.000 0.000 0.420 34 L N 2.313 123.563 121.223 0.045 0.000 2.455 34 L HA 0.777 5.115 4.340 -0.004 0.000 0.264 34 L C -1.732 175.140 176.870 0.003 0.000 0.968 34 L CA -1.005 53.862 54.840 0.046 0.000 0.827 34 L CB 1.317 43.409 42.059 0.056 0.000 1.317 34 L HN 0.604 8.834 8.230 0.000 0.000 0.407 35 C N 4.631 123.945 119.300 0.023 0.000 2.441 35 C HA 0.876 5.334 4.460 -0.004 0.000 0.318 35 C C -1.071 173.933 174.990 0.023 0.000 1.222 35 C CA -0.377 58.641 59.018 0.000 0.000 1.474 35 C CB 0.849 28.604 27.740 0.025 0.000 2.125 35 C HN 0.858 9.088 8.230 0.000 0.000 0.479 36 L N 5.641 126.842 121.223 -0.038 0.000 2.341 36 L HA 0.715 5.053 4.340 -0.004 0.000 0.278 36 L C -0.474 176.478 176.870 0.137 0.000 1.005 36 L CA -0.256 54.605 54.840 0.036 0.000 0.818 36 L CB 1.615 43.621 42.059 -0.087 0.000 1.259 36 L HN 0.608 8.838 8.230 0.000 0.000 0.418 37 L N 3.605 124.985 121.223 0.262 0.000 2.377 37 L HA 0.811 5.148 4.340 -0.004 0.000 0.270 37 L C -0.385 176.709 176.870 0.373 0.000 0.991 37 L CA -0.379 54.648 54.840 0.313 0.000 0.851 37 L CB 1.223 43.441 42.059 0.267 0.000 1.218 37 L HN 0.662 8.892 8.230 0.000 0.000 0.420 38 A N 4.937 127.963 122.820 0.344 0.000 2.289 38 A HA 0.745 5.062 4.320 -0.004 0.000 0.298 38 A C -0.916 176.790 177.584 0.204 0.000 1.208 38 A CA -0.392 51.784 52.037 0.233 0.000 0.845 38 A CB 0.729 19.799 19.000 0.117 0.000 1.125 38 A HN 0.496 8.646 8.150 0.000 0.000 0.517 39 V N 4.359 124.401 119.914 0.214 0.000 2.525 39 V HA 0.210 4.328 4.120 -0.004 0.000 0.299 39 V C 0.232 176.429 176.094 0.172 0.000 1.034 39 V CA -0.707 61.724 62.300 0.218 0.000 0.863 39 V CB 1.409 33.422 31.823 0.317 0.000 0.999 39 V HN 1.015 9.205 8.190 0.000 0.000 0.423 40 H N 4.990 124.103 119.070 0.072 0.000 2.948 40 H HA 0.061 4.615 4.556 -0.004 0.000 0.351 40 H C 1.488 176.853 175.328 0.062 0.000 1.079 40 H CA 0.835 56.912 56.048 0.048 0.000 1.407 40 H CB 1.035 30.815 29.762 0.029 0.000 1.373 40 H HN 0.787 9.067 8.280 0.000 0.000 0.605 41 R N 3.836 124.155 120.500 -0.301 0.000 2.096 41 R HA -0.115 4.223 4.340 -0.004 0.000 0.235 41 R C 1.888 178.223 176.300 0.059 0.000 1.127 41 R CA 1.253 57.292 56.100 -0.103 0.000 0.968 41 R CB -0.157 30.034 30.300 -0.181 0.000 0.861 41 R HN 0.569 8.839 8.270 0.000 0.000 0.440 42 R N 0.759 121.389 120.500 0.217 0.000 2.096 42 R HA -0.049 4.289 4.340 -0.004 0.000 0.235 42 R C 2.468 178.857 176.300 0.149 0.000 1.127 42 R CA 1.493 57.719 56.100 0.209 0.000 0.968 42 R CB -0.427 30.032 30.300 0.264 0.000 0.861 42 R HN 0.394 8.664 8.270 0.000 0.000 0.440 43 A N 0.981 123.907 122.820 0.177 0.000 2.019 43 A HA -0.094 4.224 4.320 -0.004 0.000 0.219 43 A C 2.109 179.759 177.584 0.110 0.000 1.164 43 A CA 0.971 53.082 52.037 0.124 0.000 0.644 43 A CB -0.313 18.768 19.000 0.135 0.000 0.805 43 A HN 0.182 8.332 8.150 0.000 0.000 0.449 44 L N -0.980 120.318 121.223 0.124 0.000 2.049 44 L HA -0.141 4.197 4.340 -0.004 0.000 0.203 44 L C 2.566 179.488 176.870 0.086 0.000 1.074 44 L CA 1.436 56.349 54.840 0.121 0.000 0.749 44 L CB -0.482 41.666 42.059 0.149 0.000 0.907 44 L HN 0.443 8.673 8.230 0.000 0.000 0.439 45 E N 0.063 120.305 120.200 0.071 0.000 2.171 45 E HA -0.225 4.123 4.350 -0.004 0.000 0.197 45 E C 1.446 178.068 176.600 0.037 0.000 0.997 45 E CA 1.159 57.587 56.400 0.046 0.000 0.810 45 E CB -0.126 29.599 29.700 0.041 0.000 0.738 45 E HN 0.432 8.792 8.360 0.000 0.000 0.467 46 N N 0.429 119.157 118.700 0.046 0.000 2.521 46 N HA -0.029 4.709 4.740 -0.004 0.000 0.188 46 N C -0.201 175.326 175.510 0.029 0.000 1.146 46 N CA 0.426 53.496 53.050 0.033 0.000 0.893 46 N CB 0.128 38.636 38.487 0.035 0.000 0.975 46 N HN -0.005 8.375 8.380 0.000 0.000 0.451 47 T N 0.699 115.275 114.554 0.036 0.000 2.867 47 T HA -0.018 4.329 4.350 -0.004 0.000 0.297 47 T C 0.605 175.316 174.700 0.018 0.000 0.989 47 T CA 0.155 62.274 62.100 0.031 0.000 1.159 47 T CB 0.684 69.579 68.868 0.045 0.000 0.928 47 T HN -0.014 8.226 8.240 0.000 0.000 0.538 48 S N 2.768 118.474 115.700 0.010 0.000 2.549 48 S HA 0.157 4.625 4.470 -0.004 0.000 0.286 48 S C 0.507 175.106 174.600 -0.002 0.000 1.314 48 S CA -0.809 57.391 58.200 -0.001 0.000 1.062 48 S CB -0.179 63.018 63.200 -0.005 0.000 0.865 48 S HN 0.497 8.807 8.310 0.000 0.000 0.498 49 I N 5.038 125.594 120.570 -0.024 0.000 2.576 49 I HA -0.001 4.167 4.170 -0.004 0.000 0.288 49 I C 0.803 176.906 176.117 -0.024 0.000 1.126 49 I CA -0.153 61.118 61.300 -0.047 0.000 1.362 49 I CB -0.011 37.928 38.000 -0.101 0.000 1.419 49 I HN 0.596 8.806 8.210 0.000 0.000 0.533 50 S N 5.877 121.593 115.700 0.028 0.000 2.714 50 S HA 0.028 4.496 4.470 -0.004 0.000 0.318 50 S C -0.036 174.575 174.600 0.018 0.000 1.219 50 S CA -0.538 57.692 58.200 0.051 0.000 1.175 50 S CB -0.147 63.137 63.200 0.140 0.000 0.961 50 S HN 0.575 8.885 8.310 0.000 0.000 0.518 51 Q N 1.597 121.376 119.800 -0.035 0.000 2.259 51 Q HA 0.665 5.002 4.340 -0.004 0.000 0.246 51 Q C 0.517 176.427 176.000 -0.150 0.000 0.920 51 Q CA -0.033 55.712 55.803 -0.097 0.000 0.895 51 Q CB 1.608 30.287 28.738 -0.099 0.000 1.220 51 Q HN 1.052 9.322 8.270 0.000 0.000 0.439 52 G N 1.150 109.768 108.800 -0.303 0.000 2.339 52 G HA2 0.034 3.991 3.960 -0.004 0.000 0.381 52 G HA3 0.034 3.991 3.960 -0.004 0.000 0.381 52 G C -1.861 172.755 174.900 -0.473 0.000 1.400 52 G CA -0.979 43.910 45.100 -0.350 0.000 1.002 52 G HN 0.594 8.884 8.290 0.000 0.000 0.633 53 H N 1.180 120.128 119.070 -0.203 0.000 2.808 53 H HA 0.430 4.983 4.556 -0.004 0.000 0.268 53 H C -2.062 172.911 175.328 -0.592 0.000 1.306 53 H CA -0.860 54.987 56.048 -0.335 0.000 1.565 53 H CB 1.275 30.939 29.762 -0.163 0.000 1.632 53 H HN 0.644 8.924 8.280 0.000 0.000 0.525 54 P HA 0.303 4.723 4.420 0.000 0.000 0.279 54 P C -2.738 174.359 177.300 -0.338 0.000 1.252 54 P CA -1.606 61.028 63.100 -0.778 0.000 0.811 54 P CB 1.225 32.132 31.700 -1.321 0.000 1.035 55 P HA 0.225 4.645 4.420 0.000 0.000 0.274 55 P C -2.424 174.890 177.300 0.023 0.000 1.237 55 P CA -1.430 61.644 63.100 -0.044 0.000 0.793 55 P CB -0.717 31.022 31.700 0.064 0.000 0.977 56 P HA 0.051 4.471 4.420 0.000 0.000 0.274 56 P C -0.290 176.934 177.300 -0.126 0.000 1.231 56 P CA -0.121 62.947 63.100 -0.053 0.000 0.790 56 P CB 0.382 32.049 31.700 -0.056 0.000 0.951 57 V N 4.180 123.899 119.914 -0.326 0.000 2.493 57 V HA 0.045 4.163 4.120 -0.004 0.000 0.292 57 V C -1.660 174.263 176.094 -0.285 0.000 1.016 57 V CA -0.723 61.204 62.300 -0.622 0.000 1.097 57 V CB -0.610 30.881 31.823 -0.553 0.000 0.947 57 V HN 0.606 8.796 8.190 0.000 0.000 0.479 58 P HA 0.269 4.689 4.420 0.000 0.000 0.271 58 P C -0.112 177.142 177.300 -0.076 0.000 1.218 58 P CA -0.414 62.638 63.100 -0.080 0.000 0.780 58 P CB 0.529 32.223 31.700 -0.010 0.000 0.901 59 R N 2.777 123.251 120.500 -0.045 0.000 2.643 59 R HA 0.248 4.585 4.340 -0.004 0.000 0.270 59 R C -1.910 174.377 176.300 -0.022 0.000 1.061 59 R CA -1.243 54.837 56.100 -0.032 0.000 1.107 59 R CB -0.726 29.562 30.300 -0.020 0.000 0.999 59 R HN 0.420 8.690 8.270 0.000 0.000 0.460 60 P HA 0.072 4.492 4.420 0.000 0.000 0.271 60 P C -2.388 174.918 177.300 0.010 0.000 1.233 60 P CA -1.056 62.039 63.100 -0.009 0.000 0.789 60 P CB -0.150 31.547 31.700 -0.006 0.000 0.951 61 P HA 0.139 4.559 4.420 0.000 0.000 0.269 61 P C 0.797 178.118 177.300 0.035 0.000 1.215 61 P CA -0.207 62.916 63.100 0.039 0.000 0.780 61 P CB 0.532 32.270 31.700 0.064 0.000 0.898 62 R N 2.278 122.795 120.500 0.029 0.000 2.073 62 R HA -0.043 4.295 4.340 -0.004 0.000 0.234 62 R C 0.055 176.373 176.300 0.031 0.000 1.134 62 R CA 1.481 57.596 56.100 0.024 0.000 0.952 62 R CB -0.955 29.354 30.300 0.016 0.000 0.850 62 R HN 0.316 8.586 8.270 0.000 0.000 0.433 63 V N 1.680 121.615 119.914 0.036 0.000 2.353 63 V HA 0.332 4.449 4.120 -0.004 0.000 0.264 63 V C -0.623 175.508 176.094 0.062 0.000 1.049 63 V CA -0.346 61.977 62.300 0.038 0.000 0.896 63 V CB 1.115 32.951 31.823 0.023 0.000 1.025 63 V HN -0.009 8.181 8.190 0.000 0.000 0.475 64 V N 3.981 123.935 119.914 0.066 0.000 2.851 64 V HA 0.456 4.574 4.120 -0.004 0.000 0.307 64 V C -1.156 174.999 176.094 0.101 0.000 1.129 64 V CA -0.819 61.539 62.300 0.096 0.000 0.932 64 V CB 2.667 34.549 31.823 0.099 0.000 1.024 64 V HN 0.749 8.939 8.190 0.000 0.000 0.426 65 D N 3.246 123.720 120.400 0.125 0.000 2.193 65 D HA 0.588 5.225 4.640 -0.004 0.000 0.244 65 D C -0.417 176.091 176.300 0.345 0.000 1.064 65 D CA -0.202 53.902 54.000 0.173 0.000 0.845 65 D CB 1.953 42.742 40.800 -0.017 0.000 1.148 65 D HN 0.471 8.841 8.370 0.000 0.000 0.464 66 K N 1.926 122.530 120.400 0.340 0.000 2.427 66 K HA 0.641 4.959 4.320 -0.004 0.000 0.252 66 K C -1.872 174.795 176.600 0.111 0.000 0.931 66 K CA -0.865 55.560 56.287 0.229 0.000 0.793 66 K CB 1.561 34.138 32.500 0.128 0.000 1.211 66 K HN 0.249 8.499 8.250 0.000 0.000 0.426 67 L N 2.196 123.342 121.223 -0.127 0.000 2.438 67 L HA 0.544 4.881 4.340 -0.004 0.000 0.270 67 L C -1.667 175.092 176.870 -0.184 0.000 0.972 67 L CA 0.072 54.743 54.840 -0.282 0.000 0.831 67 L CB 2.182 43.769 42.059 -0.786 0.000 1.273 67 L HN 0.553 8.783 8.230 0.000 0.000 0.405 68 S N 5.418 121.052 115.700 -0.109 0.000 2.647 68 S HA 0.837 5.305 4.470 -0.004 0.000 0.300 68 S C -1.347 173.214 174.600 -0.066 0.000 1.129 68 S CA -0.481 57.677 58.200 -0.069 0.000 1.029 68 S CB 0.700 63.882 63.200 -0.030 0.000 1.007 68 S HN 0.617 8.927 8.310 0.000 0.000 0.484 69 L N 3.556 124.740 121.223 -0.065 0.000 2.408 69 L HA 0.599 4.937 4.340 -0.004 0.000 0.268 69 L C -0.811 176.040 176.870 -0.033 0.000 0.986 69 L CA -0.826 53.976 54.840 -0.063 0.000 0.820 69 L CB 2.043 44.039 42.059 -0.105 0.000 1.303 69 L HN 0.579 8.809 8.230 0.000 0.000 0.411 70 C N 3.707 122.994 119.300 -0.022 0.000 2.365 70 C HA 0.656 5.114 4.460 -0.004 0.000 0.351 70 C C 0.154 175.142 174.990 -0.004 0.000 1.240 70 C CA -0.452 58.565 59.018 -0.001 0.000 2.062 70 C CB 0.426 28.169 27.740 0.005 0.000 2.387 70 C HN 0.505 8.735 8.230 0.000 0.000 0.537 71 I N 2.648 123.231 120.570 0.021 0.000 2.499 71 I HA 0.437 4.605 4.170 -0.004 0.000 0.288 71 I C 0.291 176.441 176.117 0.056 0.000 1.048 71 I CA -0.282 61.038 61.300 0.033 0.000 1.062 71 I CB 1.444 39.484 38.000 0.067 0.000 1.238 71 I HN 0.710 8.920 8.210 0.000 0.000 0.426 72 A N 8.529 131.378 122.820 0.048 0.000 2.454 72 A HA 0.559 4.876 4.320 -0.004 0.000 0.260 72 A C -2.381 175.247 177.584 0.073 0.000 1.106 72 A CA -1.027 51.041 52.037 0.052 0.000 0.780 72 A CB -0.433 18.590 19.000 0.039 0.000 1.044 72 A HN 0.386 8.536 8.150 0.000 0.000 0.498 73 P HA 0.250 4.670 4.420 0.000 0.000 0.278 73 P C 0.796 178.132 177.300 0.060 0.000 1.258 73 P CA -0.067 63.079 63.100 0.076 0.000 0.811 73 P CB 1.273 33.015 31.700 0.071 0.000 1.063 74 G N 0.741 109.577 108.800 0.060 0.000 2.777 74 G HA2 -0.005 3.953 3.960 -0.004 0.000 0.211 74 G HA3 -0.005 3.953 3.960 -0.004 0.000 0.211 74 G C 0.492 175.414 174.900 0.037 0.000 1.149 74 G CA 0.119 45.247 45.100 0.047 0.000 0.785 74 G HN 0.617 8.907 8.290 0.000 0.000 0.536 75 K N -0.676 119.746 120.400 0.037 0.000 2.350 75 K HA 0.794 5.112 4.320 -0.004 0.000 0.241 75 K C -0.679 175.937 176.600 0.026 0.000 0.994 75 K CA -0.791 55.511 56.287 0.025 0.000 0.839 75 K CB 1.964 34.474 32.500 0.017 0.000 1.244 75 K HN -0.077 8.173 8.250 0.000 0.000 0.443 76 A N 0.983 123.814 122.820 0.018 0.000 2.351 76 A HA 0.323 4.641 4.320 -0.004 0.000 0.257 76 A C -0.087 177.509 177.584 0.020 0.000 1.087 76 A CA -0.661 51.387 52.037 0.018 0.000 0.798 76 A CB 0.077 19.084 19.000 0.011 0.000 1.033 76 A HN 0.789 8.939 8.150 0.000 0.000 0.488 77 C N 1.843 121.156 119.300 0.022 0.000 2.644 77 C HA 0.429 4.886 4.460 -0.004 0.000 0.417 77 C C 1.601 176.598 174.990 0.012 0.000 1.304 77 C CA 0.002 59.034 59.018 0.022 0.000 2.035 77 C CB -0.384 27.369 27.740 0.022 0.000 2.673 77 C HN 1.007 9.237 8.230 0.000 0.000 0.602 78 S N 3.336 119.042 115.700 0.010 0.000 2.584 78 S HA 0.144 4.611 4.470 -0.004 0.000 0.270 78 S C -1.749 172.847 174.600 -0.006 0.000 1.346 78 S CA -0.568 57.632 58.200 0.000 0.000 1.018 78 S CB 0.417 63.617 63.200 -0.001 0.000 0.899 78 S HN 0.605 8.915 8.310 0.000 0.000 0.542 79 P HA 0.064 4.484 4.420 0.000 0.000 0.216 79 P C 1.706 178.992 177.300 -0.023 0.000 1.153 79 P CA 1.539 64.631 63.100 -0.014 0.000 0.848 79 P CB -0.486 31.206 31.700 -0.014 0.000 0.787 80 G N -0.200 108.582 108.800 -0.030 0.000 2.443 80 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.219 80 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.219 80 G C 1.603 176.465 174.900 -0.062 0.000 1.131 80 G CA 0.839 45.910 45.100 -0.048 0.000 0.775 80 G HN 0.325 8.615 8.290 0.000 0.000 0.547 81 A N 0.933 123.728 122.820 -0.041 0.000 1.872 81 A HA 0.066 4.383 4.320 -0.004 0.000 0.214 81 A C 2.691 180.259 177.584 -0.027 0.000 1.187 81 A CA 2.084 54.099 52.037 -0.036 0.000 0.614 81 A CB -0.614 18.385 19.000 -0.001 0.000 0.826 81 A HN 0.281 8.431 8.150 0.000 0.000 0.442 82 S N -0.494 115.197 115.700 -0.014 0.000 2.382 82 S HA -0.188 4.279 4.470 -0.004 0.000 0.228 82 S C 1.913 176.502 174.600 -0.019 0.000 1.027 82 S CA 1.407 59.602 58.200 -0.009 0.000 0.991 82 S CB -0.278 62.920 63.200 -0.003 0.000 0.823 82 S HN 0.727 9.037 8.310 0.000 0.000 0.469 83 E N 1.148 121.329 120.200 -0.032 0.000 2.051 83 E HA -0.161 4.187 4.350 -0.004 0.000 0.192 83 E C 2.088 178.657 176.600 -0.052 0.000 0.991 83 E CA 1.480 57.857 56.400 -0.038 0.000 0.799 83 E CB -0.171 29.503 29.700 -0.045 0.000 0.748 83 E HN 0.735 9.095 8.360 0.000 0.000 0.449 84 I N -1.262 119.252 120.570 -0.093 0.000 2.703 84 I HA -0.029 4.139 4.170 -0.004 0.000 0.259 84 I C 2.389 178.475 176.117 -0.052 0.000 1.151 84 I CA 1.400 62.610 61.300 -0.149 0.000 1.470 84 I CB -0.475 37.282 38.000 -0.405 0.000 1.112 84 I HN 0.026 8.236 8.210 0.000 0.000 0.437 85 T N -1.868 112.673 114.554 -0.022 0.000 3.035 85 T HA 0.273 4.621 4.350 -0.004 0.000 0.259 85 T C 1.766 176.484 174.700 0.030 0.000 1.078 85 T CA 0.676 62.797 62.100 0.035 0.000 1.132 85 T CB -0.199 68.692 68.868 0.039 0.000 0.900 85 T HN 0.721 8.961 8.240 0.000 0.000 0.480 86 G N 1.296 110.104 108.800 0.013 0.000 2.155 86 G HA2 -0.203 3.754 3.960 -0.004 0.000 0.257 86 G HA3 -0.203 3.754 3.960 -0.004 0.000 0.257 86 G C -0.113 174.795 174.900 0.015 0.000 0.983 86 G CA 0.483 45.590 45.100 0.012 0.000 0.676 86 G HN 0.657 8.947 8.290 0.000 0.000 0.528 87 L N 0.614 121.848 121.223 0.018 0.000 2.334 87 L HA 0.801 5.139 4.340 -0.004 0.000 0.273 87 L C 0.526 177.408 176.870 0.019 0.000 1.013 87 L CA -0.326 54.527 54.840 0.022 0.000 0.816 87 L CB 2.221 44.299 42.059 0.032 0.000 1.278 87 L HN 0.420 8.650 8.230 0.000 0.000 0.431 88 S N -0.005 115.706 115.700 0.019 0.000 2.618 88 S HA 0.355 4.823 4.470 -0.004 0.000 0.277 88 S C 0.192 174.805 174.600 0.022 0.000 1.138 88 S CA -0.907 57.304 58.200 0.018 0.000 0.844 88 S CB 2.296 65.504 63.200 0.012 0.000 1.127 88 S HN 0.670 8.980 8.310 0.000 0.000 0.474 89 K N 0.595 121.008 120.400 0.022 0.000 2.025 89 K HA -0.038 4.280 4.320 -0.004 0.000 0.207 89 K C 2.186 178.798 176.600 0.020 0.000 1.049 89 K CA 1.485 57.786 56.287 0.025 0.000 0.933 89 K CB -0.872 31.642 32.500 0.025 0.000 0.714 89 K HN 0.745 8.995 8.250 0.000 0.000 0.438 90 A N 1.154 123.983 122.820 0.016 0.000 1.892 90 A HA -0.237 4.081 4.320 -0.004 0.000 0.218 90 A C 2.007 179.598 177.584 0.012 0.000 1.188 90 A CA 2.138 54.183 52.037 0.013 0.000 0.631 90 A CB -0.646 18.360 19.000 0.010 0.000 0.822 90 A HN 0.513 8.663 8.150 0.000 0.000 0.447 91 E N -0.225 119.982 120.200 0.012 0.000 2.152 91 E HA -0.033 4.315 4.350 -0.004 0.000 0.192 91 E C 1.806 178.413 176.600 0.013 0.000 0.983 91 E CA 0.798 57.205 56.400 0.011 0.000 0.818 91 E CB -0.312 29.395 29.700 0.011 0.000 0.758 91 E HN 0.609 8.969 8.360 0.000 0.000 0.467 92 L N 0.195 121.428 121.223 0.017 0.000 2.093 92 L HA -0.107 4.231 4.340 -0.004 0.000 0.208 92 L C 2.293 179.172 176.870 0.016 0.000 1.085 92 L CA 1.299 56.150 54.840 0.018 0.000 0.755 92 L CB -0.255 41.819 42.059 0.025 0.000 0.904 92 L HN 0.148 8.378 8.230 0.000 0.000 0.435 93 E N -0.669 119.541 120.200 0.016 0.000 2.046 93 E HA -0.191 4.157 4.350 -0.004 0.000 0.190 93 E C 2.261 178.868 176.600 0.011 0.000 0.982 93 E CA 1.051 57.460 56.400 0.015 0.000 0.800 93 E CB -0.089 29.620 29.700 0.016 0.000 0.756 93 E HN 0.194 8.554 8.360 0.000 0.000 0.449 94 V N 1.127 121.047 119.914 0.010 0.000 2.626 94 V HA -0.204 3.914 4.120 -0.004 0.000 0.252 94 V C 1.348 177.446 176.094 0.007 0.000 1.067 94 V CA 1.628 63.933 62.300 0.008 0.000 1.081 94 V CB -0.129 31.699 31.823 0.007 0.000 0.686 94 V HN 0.232 8.422 8.190 0.000 0.000 0.468 95 Q N -0.404 119.400 119.800 0.007 0.000 2.228 95 Q HA 0.264 4.602 4.340 -0.004 0.000 0.211 95 Q C 1.372 177.374 176.000 0.005 0.000 0.890 95 Q CA 0.477 56.284 55.803 0.006 0.000 0.953 95 Q CB 0.275 29.017 28.738 0.006 0.000 1.053 95 Q HN 0.727 8.997 8.270 0.000 0.000 0.471 96 G N 1.615 110.418 108.800 0.006 0.000 2.179 96 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.257 96 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.257 96 G C -0.032 174.871 174.900 0.004 0.000 1.010 96 G CA -0.113 44.989 45.100 0.005 0.000 0.736 96 G HN 0.133 8.423 8.290 0.000 0.000 0.513 97 R N 0.264 120.767 120.500 0.006 0.000 2.590 97 R HA 0.339 4.677 4.340 -0.004 0.000 0.274 97 R C 0.908 177.212 176.300 0.008 0.000 1.061 97 R CA 0.126 56.229 56.100 0.004 0.000 1.081 97 R CB 0.346 30.651 30.300 0.009 0.000 0.984 97 R HN 0.654 8.924 8.270 0.000 0.000 0.448 98 Q N 1.732 121.533 119.800 0.000 0.000 2.193 98 Q HA 0.348 4.686 4.340 -0.004 0.000 0.246 98 Q C 0.109 176.119 176.000 0.016 0.000 0.959 98 Q CA -0.949 54.857 55.803 0.005 0.000 0.904 98 Q CB 1.153 29.886 28.738 -0.007 0.000 1.238 98 Q HN 0.134 8.404 8.270 0.000 0.000 0.469 99 R N 0.361 120.883 120.500 0.036 0.000 2.774 99 R HA 0.106 4.444 4.340 -0.004 0.000 0.269 99 R C -0.337 176.017 176.300 0.089 0.000 1.068 99 R CA -0.170 55.976 56.100 0.077 0.000 1.180 99 R CB -0.005 30.345 30.300 0.084 0.000 1.077 99 R HN 0.591 8.861 8.270 0.000 0.000 0.513 100 F N 2.997 122.956 119.950 0.014 0.000 2.516 100 F HA -0.055 4.469 4.527 -0.004 0.000 0.351 100 F C 0.222 176.027 175.800 0.009 0.000 1.208 100 F CA 0.111 58.118 58.000 0.011 0.000 1.073 100 F CB -0.154 38.854 39.000 0.014 0.000 1.203 100 F HN 0.461 8.761 8.300 0.000 0.000 0.602 101 D N 2.169 122.634 120.400 0.108 0.000 2.687 101 D HA 0.176 4.813 4.640 -0.004 0.000 0.264 101 D C 0.448 176.786 176.300 0.063 0.000 1.091 101 D CA -0.646 53.417 54.000 0.104 0.000 1.123 101 D CB 0.339 41.170 40.800 0.051 0.000 1.407 101 D HN 0.150 8.520 8.370 0.000 0.000 0.591 102 D N -0.616 119.817 120.400 0.054 0.000 2.123 102 D HA -0.183 4.455 4.640 -0.004 0.000 0.196 102 D C 1.456 177.760 176.300 0.007 0.000 0.992 102 D CA 1.327 55.350 54.000 0.038 0.000 0.833 102 D CB -0.324 40.496 40.800 0.033 0.000 0.954 102 D HN 0.502 8.872 8.370 0.000 0.000 0.455 103 N N 0.283 118.978 118.700 -0.008 0.000 2.149 103 N HA -0.165 4.573 4.740 -0.004 0.000 0.188 103 N C 1.676 177.152 175.510 -0.057 0.000 1.019 103 N CA 0.616 53.651 53.050 -0.025 0.000 0.857 103 N CB -0.260 38.212 38.487 -0.025 0.000 0.997 103 N HN 0.043 8.423 8.380 0.000 0.000 0.426 104 L N 0.283 121.442 121.223 -0.106 0.000 2.093 104 L HA 0.155 4.493 4.340 -0.004 0.000 0.208 104 L C 2.115 178.888 176.870 -0.161 0.000 1.085 104 L CA 1.747 56.468 54.840 -0.199 0.000 0.755 104 L CB -1.221 40.596 42.059 -0.403 0.000 0.904 104 L HN 0.247 8.477 8.230 0.000 0.000 0.435 105 A N -0.236 122.535 122.820 -0.081 0.000 1.902 105 A HA -0.195 4.122 4.320 -0.004 0.000 0.217 105 A C 2.275 179.857 177.584 -0.003 0.000 1.181 105 A CA 2.127 54.160 52.037 -0.006 0.000 0.623 105 A CB -0.818 18.214 19.000 0.054 0.000 0.818 105 A HN 0.491 8.641 8.150 0.000 0.000 0.443 106 I N -0.834 119.732 120.570 -0.005 0.000 2.179 106 I HA -0.222 3.945 4.170 -0.004 0.000 0.242 106 I C 2.409 178.531 176.117 0.010 0.000 1.088 106 I CA 1.099 62.402 61.300 0.005 0.000 1.357 106 I CB -0.301 37.701 38.000 0.004 0.000 1.051 106 I HN 0.395 8.605 8.210 0.000 0.000 0.409 107 L N 0.885 122.101 121.223 -0.011 0.000 1.990 107 L HA -0.229 4.108 4.340 -0.004 0.000 0.213 107 L C 2.316 179.206 176.870 0.033 0.000 1.072 107 L CA 1.946 56.785 54.840 -0.001 0.000 0.755 107 L CB -0.765 41.264 42.059 -0.051 0.000 0.889 107 L HN 0.151 8.381 8.230 0.000 0.000 0.432 108 L N -0.819 120.400 121.223 -0.007 0.000 2.012 108 L HA -0.242 4.095 4.340 -0.004 0.000 0.210 108 L C 2.853 179.782 176.870 0.098 0.000 1.073 108 L CA 1.740 56.594 54.840 0.023 0.000 0.748 108 L CB -0.596 41.448 42.059 -0.025 0.000 0.891 108 L HN 0.333 8.563 8.230 0.000 0.000 0.431 109 R N 0.070 120.605 120.500 0.058 0.000 2.083 109 R HA -0.203 4.134 4.340 -0.004 0.000 0.237 109 R C 2.313 178.653 176.300 0.068 0.000 1.137 109 R CA 1.648 57.780 56.100 0.053 0.000 0.951 109 R CB -0.292 30.027 30.300 0.031 0.000 0.851 109 R HN 0.372 8.642 8.270 0.000 0.000 0.434 110 A N 0.416 123.280 122.820 0.073 0.000 1.902 110 A HA -0.209 4.108 4.320 -0.004 0.000 0.217 110 A C 2.010 179.650 177.584 0.094 0.000 1.181 110 A CA 1.386 53.464 52.037 0.068 0.000 0.623 110 A CB -0.819 18.217 19.000 0.060 0.000 0.818 110 A HN 0.529 8.679 8.150 0.000 0.000 0.443 111 F N 0.660 120.607 119.950 -0.005 0.000 2.095 111 F HA -0.169 4.356 4.527 -0.003 0.000 0.298 111 F C 1.912 177.715 175.800 0.006 0.000 1.104 111 F CA 1.916 59.917 58.000 0.001 0.000 1.232 111 F CB -0.223 38.776 39.000 -0.002 0.000 0.987 111 F HN 0.144 8.444 8.300 0.000 0.000 0.475 112 L N -0.074 121.232 121.223 0.139 0.000 2.141 112 L HA -0.222 4.116 4.340 -0.004 0.000 0.209 112 L C 2.502 179.348 176.870 -0.040 0.000 1.094 112 L CA 1.561 56.421 54.840 0.034 0.000 0.763 112 L CB -0.868 41.239 42.059 0.081 0.000 0.908 112 L HN 0.285 8.515 8.230 0.000 0.000 0.437 113 Q N 0.351 120.138 119.800 -0.021 0.000 2.364 113 Q HA -0.150 4.187 4.340 -0.004 0.000 0.207 113 Q C 2.124 178.091 176.000 -0.055 0.000 0.970 113 Q CA 0.930 56.718 55.803 -0.025 0.000 0.888 113 Q CB 0.166 28.900 28.738 -0.006 0.000 0.951 113 Q HN 0.409 8.679 8.270 0.000 0.000 0.469 114 R N -0.103 120.330 120.500 -0.111 0.000 2.276 114 R HA 0.003 4.341 4.340 -0.004 0.000 0.203 114 R C 0.021 176.243 176.300 -0.130 0.000 1.017 114 R CA 0.292 56.313 56.100 -0.133 0.000 1.010 114 R CB 0.323 30.505 30.300 -0.195 0.000 0.900 114 R HN 0.250 8.520 8.270 0.000 0.000 0.469 115 Q N 1.171 120.894 119.800 -0.128 0.000 2.241 115 Q HA 0.294 4.631 4.340 -0.004 0.000 0.254 115 Q C -2.297 173.696 176.000 -0.012 0.000 0.917 115 Q CA -2.738 53.019 55.803 -0.076 0.000 0.919 115 Q CB 0.880 29.566 28.738 -0.086 0.000 1.237 115 Q HN 0.004 8.274 8.270 0.000 0.000 0.434 116 P HA 0.065 4.485 4.420 0.000 0.000 0.271 116 P C -0.543 176.778 177.300 0.034 0.000 1.218 116 P CA -0.083 63.050 63.100 0.055 0.000 0.780 116 P CB 0.897 32.678 31.700 0.135 0.000 0.901 117 Q N 2.284 122.103 119.800 0.032 0.000 2.297 117 Q HA 0.476 4.813 4.340 -0.004 0.000 0.268 117 Q C -2.173 173.842 176.000 0.024 0.000 1.045 117 Q CA -1.983 53.840 55.803 0.034 0.000 0.861 117 Q CB 0.901 29.666 28.738 0.045 0.000 1.344 117 Q HN 0.398 8.668 8.270 0.000 0.000 0.452 118 P HA 0.159 4.579 4.420 0.000 0.000 0.274 118 P C -0.690 176.637 177.300 0.046 0.000 1.237 118 P CA -0.320 62.816 63.100 0.059 0.000 0.793 118 P CB 0.752 32.431 31.700 -0.035 0.000 0.977 119 C N 2.334 121.714 119.300 0.134 0.000 2.379 119 C HA 0.523 4.981 4.460 -0.004 0.000 0.323 119 C C -0.081 175.000 174.990 0.151 0.000 1.262 119 C CA -0.279 58.795 59.018 0.093 0.000 1.581 119 C CB -0.202 27.583 27.740 0.074 0.000 2.221 119 C HN 0.746 8.976 8.230 0.000 0.000 0.497 120 C N 7.709 127.049 119.300 0.066 0.000 2.340 120 C HA 0.587 5.045 4.460 -0.004 0.000 0.323 120 C C -0.229 174.770 174.990 0.015 0.000 1.260 120 C CA -0.726 58.340 59.018 0.080 0.000 1.464 120 C CB -0.615 27.154 27.740 0.049 0.000 2.156 120 C HN 0.895 9.125 8.230 0.000 0.000 0.476 121 L N 6.143 127.379 121.223 0.021 0.000 2.416 121 L HA 0.477 4.815 4.340 -0.004 0.000 0.272 121 L C -0.183 176.779 176.870 0.154 0.000 1.161 121 L CA -0.084 54.788 54.840 0.054 0.000 0.845 121 L CB 0.686 42.767 42.059 0.036 0.000 1.119 121 L HN 0.363 8.593 8.230 0.000 0.000 0.464 122 V N 2.581 122.581 119.914 0.144 0.000 2.483 122 V HA 0.775 4.893 4.120 -0.004 0.000 0.297 122 V C -0.109 176.178 176.094 0.322 0.000 1.027 122 V CA -0.445 61.975 62.300 0.201 0.000 0.855 122 V CB 1.518 33.265 31.823 -0.126 0.000 0.995 122 V HN 0.888 9.078 8.190 0.000 0.000 0.424 123 A N 2.921 125.951 122.820 0.350 0.000 2.459 123 A HA 0.598 4.915 4.320 -0.004 0.000 0.296 123 A C -0.857 176.790 177.584 0.105 0.000 1.039 123 A CA -0.590 51.549 52.037 0.171 0.000 0.698 123 A CB 1.205 20.142 19.000 -0.105 0.000 1.261 123 A HN 0.913 9.063 8.150 0.000 0.000 0.405 124 H N 2.889 121.993 119.070 0.057 0.000 2.955 124 H HA 0.114 4.668 4.556 -0.004 0.000 0.290 124 H C 0.809 176.133 175.328 -0.008 0.000 1.047 124 H CA 1.616 57.688 56.048 0.041 0.000 1.484 124 H CB 0.229 30.021 29.762 0.051 0.000 1.501 124 H HN 1.006 9.286 8.280 0.000 0.000 0.521 125 N N 2.752 121.212 118.700 -0.400 0.000 2.741 125 N HA -0.182 4.556 4.740 -0.004 0.000 0.250 125 N C 1.145 176.554 175.510 -0.168 0.000 1.115 125 N CA 0.350 53.254 53.050 -0.243 0.000 0.724 125 N CB -0.878 37.504 38.487 -0.174 0.000 1.090 125 N HN 0.870 9.250 8.380 0.000 0.000 0.558 126 G N 0.150 108.758 108.800 -0.320 0.000 2.432 126 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.219 126 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.219 126 G C 1.056 175.594 174.900 -0.603 0.000 1.135 126 G CA 1.308 45.877 45.100 -0.884 0.000 0.767 126 G HN 0.445 8.735 8.290 0.000 0.000 0.550 127 D N 0.273 120.620 120.400 -0.088 0.000 2.178 127 D HA -0.009 4.629 4.640 -0.004 0.000 0.202 127 D C 2.535 178.882 176.300 0.078 0.000 0.974 127 D CA 0.644 54.742 54.000 0.163 0.000 0.841 127 D CB -0.045 40.861 40.800 0.175 0.000 0.953 127 D HN 0.312 8.682 8.370 0.000 0.000 0.478 128 R N -1.762 118.760 120.500 0.036 0.000 2.334 128 R HA 0.112 4.449 4.340 -0.004 0.000 0.212 128 R C 0.963 177.334 176.300 0.118 0.000 0.897 128 R CA 0.062 56.201 56.100 0.065 0.000 1.056 128 R CB 0.703 31.040 30.300 0.061 0.000 1.046 128 R HN 0.209 8.479 8.270 0.000 0.000 0.513 129 Y N 0.247 120.511 120.300 -0.059 0.000 3.183 129 Y HA 0.121 4.669 4.550 -0.004 0.000 0.200 129 Y C 0.979 176.854 175.900 -0.040 0.000 0.912 129 Y CA 0.543 58.622 58.100 -0.034 0.000 1.642 129 Y CB 0.341 38.786 38.460 -0.025 0.000 1.447 129 Y HN -0.196 8.084 8.280 0.000 0.000 0.421 130 D N 0.357 120.733 120.400 -0.041 0.000 2.097 130 D HA -0.135 4.503 4.640 -0.004 0.000 0.197 130 D C 1.991 178.313 176.300 0.036 0.000 0.984 130 D CA 2.072 56.030 54.000 -0.070 0.000 0.826 130 D CB -0.378 40.357 40.800 -0.108 0.000 0.973 130 D HN 0.394 8.764 8.370 0.000 0.000 0.460 131 F N 0.289 120.320 119.950 0.135 0.000 2.084 131 F HA -0.007 4.519 4.527 -0.003 0.000 0.296 131 F C -0.489 175.317 175.800 0.011 0.000 1.111 131 F CA 0.154 58.270 58.000 0.193 0.000 1.224 131 F CB -1.456 37.638 39.000 0.158 0.000 0.991 131 F HN -0.013 8.287 8.300 0.000 0.000 0.471 132 P HA -0.210 4.210 4.420 0.000 0.000 0.215 132 P C 1.746 178.980 177.300 -0.110 0.000 1.157 132 P CA 1.215 64.286 63.100 -0.047 0.000 0.874 132 P CB -0.040 31.628 31.700 -0.054 0.000 0.790 133 L N -1.119 120.008 121.223 -0.161 0.000 2.056 133 L HA -0.107 4.231 4.340 -0.004 0.000 0.207 133 L C 2.102 178.874 176.870 -0.164 0.000 1.078 133 L CA 1.739 56.442 54.840 -0.228 0.000 0.749 133 L CB -1.606 40.238 42.059 -0.359 0.000 0.901 133 L HN -0.128 8.102 8.230 0.000 0.000 0.433 134 L N -0.469 120.746 121.223 -0.013 0.000 2.079 134 L HA -0.224 4.114 4.340 -0.004 0.000 0.210 134 L C 2.567 179.472 176.870 0.059 0.000 1.081 134 L CA 1.905 56.786 54.840 0.068 0.000 0.752 134 L CB -0.963 41.268 42.059 0.287 0.000 0.896 134 L HN 0.480 8.710 8.230 0.000 0.000 0.433 135 Q N -1.319 118.550 119.800 0.114 0.000 2.124 135 Q HA -0.161 4.177 4.340 -0.004 0.000 0.202 135 Q C 2.057 177.983 176.000 -0.123 0.000 0.977 135 Q CA 2.361 58.182 55.803 0.029 0.000 0.850 135 Q CB -0.285 28.382 28.738 -0.120 0.000 0.901 135 Q HN 0.487 8.757 8.270 0.000 0.000 0.429 136 T N 0.787 115.201 114.554 -0.234 0.000 2.821 136 T HA -0.095 4.253 4.350 -0.004 0.000 0.267 136 T C 1.314 175.797 174.700 -0.361 0.000 1.046 136 T CA 1.252 63.132 62.100 -0.367 0.000 1.139 136 T CB -0.106 68.374 68.868 -0.647 0.000 0.871 136 T HN 0.316 8.556 8.240 0.000 0.000 0.454 137 E N 1.075 121.015 120.200 -0.434 0.000 2.072 137 E HA 0.014 4.362 4.350 -0.004 0.000 0.191 137 E C 2.286 178.586 176.600 -0.499 0.000 0.985 137 E CA 0.759 56.759 56.400 -0.668 0.000 0.801 137 E CB -0.306 28.550 29.700 -1.406 0.000 0.750 137 E HN 0.467 8.827 8.360 0.000 0.000 0.452 138 L N 0.445 121.491 121.223 -0.294 0.000 2.217 138 L HA -0.053 4.285 4.340 -0.004 0.000 0.211 138 L C 2.424 179.275 176.870 -0.031 0.000 1.107 138 L CA 0.768 55.582 54.840 -0.042 0.000 0.783 138 L CB -0.398 41.705 42.059 0.073 0.000 0.919 138 L HN 0.024 8.254 8.230 0.000 0.000 0.442 139 A N -0.056 122.717 122.820 -0.079 0.000 2.121 139 A HA -0.116 4.201 4.320 -0.004 0.000 0.218 139 A C 2.307 179.859 177.584 -0.054 0.000 1.154 139 A CA 0.941 52.940 52.037 -0.063 0.000 0.679 139 A CB -0.359 18.585 19.000 -0.094 0.000 0.795 139 A HN 0.328 8.478 8.150 0.000 0.000 0.458 140 R N -0.813 119.646 120.500 -0.068 0.000 2.240 140 R HA 0.199 4.537 4.340 -0.004 0.000 0.203 140 R C -0.145 176.158 176.300 0.005 0.000 1.011 140 R CA 0.009 56.087 56.100 -0.036 0.000 1.007 140 R CB -0.203 30.068 30.300 -0.049 0.000 0.911 140 R HN 0.419 8.689 8.270 0.000 0.000 0.468 141 L N 0.529 121.767 121.223 0.024 0.000 2.418 141 L HA 0.088 4.426 4.340 -0.004 0.000 0.265 141 L C 1.694 178.584 176.870 0.035 0.000 1.143 141 L CA -0.269 54.603 54.840 0.053 0.000 0.809 141 L CB 1.487 43.602 42.059 0.093 0.000 1.124 141 L HN 0.070 8.300 8.230 0.000 0.000 0.456 142 S N -1.004 114.716 115.700 0.034 0.000 2.406 142 S HA -0.067 4.400 4.470 -0.004 0.000 0.228 142 S C 0.930 175.544 174.600 0.025 0.000 1.020 142 S CA 0.461 58.676 58.200 0.024 0.000 0.965 142 S CB -0.641 62.572 63.200 0.022 0.000 0.798 142 S HN 0.804 9.114 8.310 0.000 0.000 0.488 143 T N 1.422 115.996 114.554 0.032 0.000 2.907 143 T HA 0.515 4.862 4.350 -0.004 0.000 0.298 143 T C -2.803 171.916 174.700 0.032 0.000 1.017 143 T CA -1.863 60.255 62.100 0.030 0.000 1.118 143 T CB 0.193 69.081 68.868 0.033 0.000 0.948 143 T HN 0.011 8.251 8.240 0.000 0.000 0.531 144 P HA 0.106 4.526 4.420 0.000 0.000 0.266 144 P C 0.062 177.382 177.300 0.033 0.000 1.193 144 P CA -0.149 62.965 63.100 0.023 0.000 0.770 144 P CB 0.272 31.981 31.700 0.015 0.000 0.836 145 S N 3.353 119.076 115.700 0.038 0.000 2.544 145 S HA 0.072 4.540 4.470 -0.004 0.000 0.290 145 S C -1.057 173.562 174.600 0.032 0.000 1.276 145 S CA -1.019 57.212 58.200 0.053 0.000 1.075 145 S CB -0.218 63.029 63.200 0.079 0.000 0.849 145 S HN 0.320 8.630 8.310 0.000 0.000 0.494 146 P HA -0.011 4.409 4.420 0.000 0.000 0.230 146 P C 0.858 178.138 177.300 -0.034 0.000 1.158 146 P CA 0.774 63.877 63.100 0.006 0.000 0.769 146 P CB 0.088 31.797 31.700 0.016 0.000 0.807 147 L N -0.088 121.091 121.223 -0.073 0.000 2.592 147 L HA -0.010 4.327 4.340 -0.004 0.000 0.227 147 L C 1.874 178.710 176.870 -0.056 0.000 1.127 147 L CA 0.181 54.907 54.840 -0.191 0.000 0.884 147 L CB -0.866 40.821 42.059 -0.619 0.000 1.065 147 L HN -0.006 8.224 8.230 0.000 0.000 0.457 148 D N 1.427 121.830 120.400 0.004 0.000 2.893 148 D HA -0.312 4.325 4.640 -0.004 0.000 0.426 148 D C 1.592 177.850 176.300 -0.071 0.000 1.026 148 D CA 2.174 56.169 54.000 -0.009 0.000 1.274 148 D CB -1.099 39.692 40.800 -0.015 0.000 1.089 148 D HN 0.223 8.593 8.370 0.000 0.000 0.470 149 G N -0.516 108.232 108.800 -0.087 0.000 3.448 149 G HA2 0.346 4.303 3.960 -0.004 0.000 0.261 149 G HA3 0.346 4.303 3.960 -0.004 0.000 0.261 149 G C 0.318 175.114 174.900 -0.173 0.000 1.173 149 G CA 0.350 45.364 45.100 -0.143 0.000 0.835 149 G HN 0.782 9.072 8.290 0.000 0.000 0.534 150 T N -2.008 112.449 114.554 -0.161 0.000 2.918 150 T HA 0.716 5.063 4.350 -0.004 0.000 0.283 150 T C -0.328 174.231 174.700 -0.234 0.000 1.001 150 T CA -0.686 61.362 62.100 -0.086 0.000 1.041 150 T CB 1.677 70.501 68.868 -0.073 0.000 1.028 150 T HN -0.085 8.155 8.240 0.000 0.000 0.511 151 F N 0.259 120.192 119.950 -0.028 0.000 2.518 151 F HA 0.749 5.273 4.527 -0.004 0.000 0.338 151 F C 0.785 176.543 175.800 -0.069 0.000 1.065 151 F CA -0.803 57.181 58.000 -0.026 0.000 1.012 151 F CB 1.522 40.508 39.000 -0.023 0.000 1.297 151 F HN 1.141 9.441 8.300 0.000 0.000 0.489 152 C N -0.321 119.033 119.300 0.091 0.000 3.239 152 C HA 0.929 5.387 4.460 -0.004 0.000 0.317 152 C C -1.297 173.721 174.990 0.047 0.000 1.310 152 C CA -1.130 57.813 59.018 -0.125 0.000 1.371 152 C CB 1.106 28.417 27.740 -0.715 0.000 1.714 152 C HN 0.776 9.006 8.230 0.000 0.000 0.473 153 V N 1.255 121.303 119.914 0.224 0.000 2.924 153 V HA 0.474 4.592 4.120 -0.004 0.000 0.300 153 V C -1.613 174.825 176.094 0.573 0.000 1.227 153 V CA 0.149 62.696 62.300 0.411 0.000 0.954 153 V CB 1.890 33.952 31.823 0.399 0.000 1.055 153 V HN 1.101 9.291 8.190 0.000 0.000 0.429 154 D N 2.856 123.551 120.400 0.493 0.000 2.295 154 D HA 0.229 4.867 4.640 -0.004 0.000 0.248 154 D C 1.255 177.666 176.300 0.186 0.000 1.154 154 D CA 0.596 54.773 54.000 0.294 0.000 0.857 154 D CB 2.086 42.997 40.800 0.184 0.000 1.117 154 D HN 0.671 9.041 8.370 0.000 0.000 0.468 155 S N 3.491 119.279 115.700 0.146 0.000 2.447 155 S HA -0.116 4.351 4.470 -0.004 0.000 0.233 155 S C 2.117 176.712 174.600 -0.008 0.000 1.006 155 S CA 0.289 58.555 58.200 0.110 0.000 0.957 155 S CB -0.215 63.131 63.200 0.244 0.000 0.773 155 S HN 0.626 8.936 8.310 0.000 0.000 0.507 156 I N 2.173 122.692 120.570 -0.085 0.000 2.179 156 I HA -0.150 4.018 4.170 -0.004 0.000 0.242 156 I C 3.088 179.057 176.117 -0.246 0.000 1.088 156 I CA 1.143 62.339 61.300 -0.173 0.000 1.357 156 I CB -0.717 37.115 38.000 -0.280 0.000 1.051 156 I HN 0.415 8.625 8.210 0.000 0.000 0.409 157 A N 0.818 123.521 122.820 -0.195 0.000 1.908 157 A HA -0.223 4.095 4.320 -0.004 0.000 0.218 157 A C 2.529 179.749 177.584 -0.607 0.000 1.181 157 A CA 2.125 54.032 52.037 -0.216 0.000 0.627 157 A CB -0.885 18.169 19.000 0.090 0.000 0.818 157 A HN 0.452 8.602 8.150 0.000 0.000 0.445 158 A N -0.617 121.635 122.820 -0.946 0.000 1.873 158 A HA 0.017 4.334 4.320 -0.004 0.000 0.215 158 A C 2.031 179.214 177.584 -0.668 0.000 1.186 158 A CA 1.546 52.712 52.037 -1.451 0.000 0.616 158 A CB -0.488 17.933 19.000 -0.966 0.000 0.823 158 A HN 0.382 8.532 8.150 0.000 0.000 0.442 159 L N -0.134 120.907 121.223 -0.303 0.000 2.083 159 L HA -0.140 4.198 4.340 -0.004 0.000 0.209 159 L C 2.309 179.128 176.870 -0.085 0.000 1.083 159 L CA 1.867 56.661 54.840 -0.077 0.000 0.752 159 L CB -1.307 40.784 42.059 0.052 0.000 0.899 159 L HN 0.459 8.689 8.230 0.000 0.000 0.433 160 K N -0.119 120.144 120.400 -0.229 0.000 1.991 160 K HA -0.163 4.155 4.320 -0.004 0.000 0.212 160 K C 2.148 178.668 176.600 -0.133 0.000 1.049 160 K CA 1.639 57.793 56.287 -0.221 0.000 0.932 160 K CB -0.219 32.058 32.500 -0.371 0.000 0.717 160 K HN 0.262 8.512 8.250 0.000 0.000 0.441 161 A N 1.507 124.189 122.820 -0.231 0.000 1.940 161 A HA -0.151 4.167 4.320 -0.004 0.000 0.219 161 A C 2.126 179.671 177.584 -0.066 0.000 1.176 161 A CA 1.296 53.249 52.037 -0.139 0.000 0.631 161 A CB -0.625 18.253 19.000 -0.203 0.000 0.814 161 A HN 0.150 8.300 8.150 0.000 0.000 0.446 162 L N -0.928 120.233 121.223 -0.104 0.000 1.973 162 L HA -0.207 4.130 4.340 -0.004 0.000 0.208 162 L C 2.730 179.662 176.870 0.103 0.000 1.073 162 L CA 1.976 56.824 54.840 0.014 0.000 0.746 162 L CB -0.903 41.191 42.059 0.057 0.000 0.891 162 L HN 0.636 8.866 8.230 0.000 0.000 0.433 163 E N 0.778 121.083 120.200 0.175 0.000 2.086 163 E HA -0.284 4.064 4.350 -0.004 0.000 0.205 163 E C 0.907 177.585 176.600 0.129 0.000 1.027 163 E CA 1.440 57.963 56.400 0.205 0.000 0.830 163 E CB -0.074 29.731 29.700 0.176 0.000 0.751 163 E HN 0.519 8.879 8.360 0.000 0.000 0.456 164 Q N 0.669 120.519 119.800 0.083 0.000 3.004 164 Q HA 0.342 4.680 4.340 -0.004 0.000 0.256 164 Q C -0.532 175.506 176.000 0.063 0.000 1.387 164 Q CA -0.239 55.604 55.803 0.067 0.000 0.962 164 Q CB 0.809 29.576 28.738 0.048 0.000 1.676 164 Q HN 0.240 8.510 8.270 0.000 0.000 0.568 176 S N 0.730 116.242 115.700 -0.313 0.000 2.523 176 S HA 0.333 4.801 4.470 -0.004 0.000 0.275 176 S C -0.157 174.221 174.600 -0.370 0.000 1.281 176 S CA -0.210 57.859 58.200 -0.218 0.000 1.050 176 S CB 0.212 63.345 63.200 -0.111 0.000 0.937 176 S HN 0.214 8.524 8.310 0.000 0.000 0.492 177 Y N 2.790 123.113 120.300 0.039 0.000 2.681 177 Y HA 0.240 4.788 4.550 -0.004 0.000 0.267 177 Y C 1.345 177.354 175.900 0.182 0.000 1.166 177 Y CA -0.412 57.736 58.100 0.080 0.000 1.209 177 Y CB -0.192 38.300 38.460 0.053 0.000 1.161 177 Y HN 0.712 8.992 8.280 0.000 0.000 0.534 178 S N -0.612 115.209 115.700 0.203 0.000 2.576 178 S HA -0.041 4.427 4.470 -0.004 0.000 0.272 178 S C 1.330 175.940 174.600 0.016 0.000 1.352 178 S CA -0.521 57.785 58.200 0.178 0.000 1.021 178 S CB 0.932 64.173 63.200 0.068 0.000 0.887 178 S HN 0.399 8.709 8.310 0.000 0.000 0.542 179 L N 2.939 123.992 121.223 -0.283 0.000 2.079 179 L HA 0.105 4.443 4.340 -0.004 0.000 0.210 179 L C 2.376 179.142 176.870 -0.174 0.000 1.081 179 L CA 2.450 56.998 54.840 -0.487 0.000 0.752 179 L CB -1.446 40.255 42.059 -0.597 0.000 0.896 179 L HN 0.997 9.227 8.230 0.000 0.000 0.433 180 G N -2.159 106.563 108.800 -0.130 0.000 2.408 180 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.217 180 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.217 180 G C 1.584 176.488 174.900 0.007 0.000 1.150 180 G CA 0.772 45.831 45.100 -0.067 0.000 0.776 180 G HN 0.461 8.751 8.290 0.000 0.000 0.542 181 S N 0.532 116.221 115.700 -0.019 0.000 2.368 181 S HA -0.024 4.444 4.470 -0.004 0.000 0.224 181 S C 2.269 176.843 174.600 -0.044 0.000 1.029 181 S CA 0.831 59.009 58.200 -0.038 0.000 0.988 181 S CB -0.186 62.968 63.200 -0.076 0.000 0.838 181 S HN 0.390 8.700 8.310 0.000 0.000 0.462 182 I N -0.072 120.482 120.570 -0.028 0.000 2.202 182 I HA -0.188 3.980 4.170 -0.004 0.000 0.242 182 I C 2.249 178.335 176.117 -0.050 0.000 1.091 182 I CA 1.399 62.668 61.300 -0.052 0.000 1.368 182 I CB -0.431 37.577 38.000 0.013 0.000 1.058 182 I HN 0.264 8.474 8.210 0.000 0.000 0.410 183 Y N 1.952 122.205 120.300 -0.077 0.000 2.165 183 Y HA -0.342 4.206 4.550 -0.004 0.000 0.286 183 Y C 2.970 178.900 175.900 0.049 0.000 1.155 183 Y CA 2.369 60.479 58.100 0.017 0.000 1.164 183 Y CB -0.282 38.208 38.460 0.050 0.000 0.978 183 Y HN 0.286 8.566 8.280 0.000 0.000 0.513 184 T N -1.848 112.834 114.554 0.214 0.000 3.023 184 T HA -0.058 4.290 4.350 -0.004 0.000 0.266 184 T C 1.919 176.670 174.700 0.085 0.000 1.093 184 T CA 0.857 63.055 62.100 0.164 0.000 1.129 184 T CB -0.281 68.662 68.868 0.124 0.000 0.899 184 T HN 0.321 8.561 8.240 0.000 0.000 0.491 185 R N 0.292 120.780 120.500 -0.021 0.000 2.075 185 R HA 0.178 4.516 4.340 -0.004 0.000 0.232 185 R C 2.505 178.760 176.300 -0.075 0.000 1.126 185 R CA 1.176 57.246 56.100 -0.051 0.000 0.963 185 R CB -0.477 29.737 30.300 -0.143 0.000 0.858 185 R HN 0.405 8.675 8.270 0.000 0.000 0.435 186 L N -1.111 119.889 121.223 -0.371 0.000 2.072 186 L HA -0.152 4.186 4.340 -0.004 0.000 0.205 186 L C 1.439 177.877 176.870 -0.719 0.000 1.079 186 L CA 1.525 55.894 54.840 -0.785 0.000 0.752 186 L CB -0.133 41.087 42.059 -1.398 0.000 0.906 186 L HN 0.264 8.494 8.230 0.000 0.000 0.436 187 Y N -3.932 116.239 120.300 -0.214 0.000 2.426 187 Y HA 0.006 4.554 4.550 -0.004 0.000 0.249 187 Y C 0.055 175.955 175.900 0.000 0.000 1.103 187 Y CA -0.764 57.180 58.100 -0.261 0.000 1.256 187 Y CB 0.698 38.843 38.460 -0.525 0.000 1.208 187 Y HN 0.053 8.333 8.280 0.000 0.000 0.519 188 W N 1.432 122.722 121.300 -0.016 0.000 4.141 188 W HA -0.233 4.425 4.660 -0.003 0.000 0.336 188 W C -0.595 175.951 176.519 0.045 0.000 1.258 188 W CA -0.077 57.271 57.345 0.005 0.000 0.747 188 W CB -2.490 26.971 29.460 0.001 0.000 2.338 188 W HN 0.199 8.379 8.180 0.000 0.000 1.410 189 Q N -0.627 119.345 119.800 0.286 0.000 2.397 189 Q HA 0.758 5.095 4.340 -0.004 0.000 0.275 189 Q C 0.131 176.322 176.000 0.319 0.000 1.090 189 Q CA -0.496 55.457 55.803 0.250 0.000 0.809 189 Q CB 2.354 31.235 28.738 0.237 0.000 1.362 189 Q HN 0.056 8.326 8.270 0.000 0.000 0.431 190 A N 3.041 125.979 122.820 0.197 0.000 2.462 190 A HA 0.427 4.745 4.320 -0.004 0.000 0.243 190 A C -2.062 175.564 177.584 0.069 0.000 1.076 190 A CA -0.788 51.325 52.037 0.127 0.000 0.773 190 A CB -0.390 18.635 19.000 0.042 0.000 1.010 190 A HN 0.412 8.562 8.150 0.000 0.000 0.493 191 P HA 0.251 4.671 4.420 0.000 0.000 0.272 191 P C -0.066 177.061 177.300 -0.289 0.000 1.240 191 P CA 0.044 62.760 63.100 -0.639 0.000 0.791 191 P CB 0.540 31.698 31.700 -0.904 0.000 0.978 192 T N -3.313 111.081 114.554 -0.268 0.000 2.918 192 T HA 0.335 4.683 4.350 -0.004 0.000 0.286 192 T C -0.239 174.373 174.700 -0.148 0.000 1.026 192 T CA -0.631 61.381 62.100 -0.147 0.000 1.031 192 T CB 0.291 69.104 68.868 -0.092 0.000 1.046 192 T HN 0.470 8.710 8.240 0.000 0.000 0.479 193 D N 0.709 121.052 120.400 -0.096 0.000 2.699 193 D HA -0.131 4.507 4.640 -0.004 0.000 0.239 193 D C -0.324 175.915 176.300 -0.101 0.000 1.136 193 D CA 0.647 54.603 54.000 -0.074 0.000 0.668 193 D CB -1.630 39.133 40.800 -0.061 0.000 1.060 193 D HN 0.630 9.000 8.370 0.000 0.000 0.429 194 S N -0.100 115.526 115.700 -0.123 0.000 2.562 194 S HA 0.033 4.500 4.470 -0.004 0.000 0.281 194 S C 0.990 175.517 174.600 -0.122 0.000 1.333 194 S CA -0.123 57.937 58.200 -0.234 0.000 1.052 194 S CB 0.597 63.653 63.200 -0.240 0.000 0.884 194 S HN 0.351 8.661 8.310 0.000 0.000 0.506 195 H N -1.081 117.959 119.070 -0.051 0.000 2.820 195 H HA -0.144 4.410 4.556 -0.003 0.000 0.295 195 H C 0.412 175.730 175.328 -0.016 0.000 1.187 195 H CA 1.111 57.140 56.048 -0.031 0.000 1.144 195 H CB -2.626 27.117 29.762 -0.032 0.000 1.354 195 H HN 0.744 9.024 8.280 0.000 0.000 0.395 196 T N -3.821 110.750 114.554 0.029 0.000 2.855 196 T HA 0.765 5.113 4.350 -0.004 0.000 0.281 196 T C 1.359 176.067 174.700 0.014 0.000 1.007 196 T CA -0.271 61.844 62.100 0.025 0.000 1.009 196 T CB 2.486 71.357 68.868 0.006 0.000 0.983 196 T HN 0.239 8.479 8.240 0.000 0.000 0.455 197 A N 1.590 124.429 122.820 0.032 0.000 1.883 197 A HA -0.100 4.218 4.320 -0.004 0.000 0.217 197 A C 2.202 179.800 177.584 0.023 0.000 1.186 197 A CA 1.971 54.031 52.037 0.039 0.000 0.624 197 A CB -1.039 17.990 19.000 0.049 0.000 0.822 197 A HN 1.022 9.172 8.150 0.000 0.000 0.444 198 E N -0.814 119.393 120.200 0.011 0.000 2.047 198 E HA -0.088 4.259 4.350 -0.004 0.000 0.191 198 E C 2.103 178.695 176.600 -0.014 0.000 0.987 198 E CA 0.948 57.351 56.400 0.005 0.000 0.799 198 E CB -0.421 29.280 29.700 0.001 0.000 0.752 198 E HN 0.512 8.872 8.360 0.000 0.000 0.449 199 G N 0.720 109.500 108.800 -0.033 0.000 2.418 199 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.217 199 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.217 199 G C 1.169 176.010 174.900 -0.097 0.000 1.158 199 G CA 1.054 46.113 45.100 -0.068 0.000 0.771 199 G HN 0.235 8.525 8.290 0.000 0.000 0.545 200 D N 0.095 120.443 120.400 -0.086 0.000 2.144 200 D HA -0.064 4.573 4.640 -0.004 0.000 0.200 200 D C 2.735 179.011 176.300 -0.041 0.000 0.978 200 D CA 0.446 54.386 54.000 -0.099 0.000 0.833 200 D CB -0.389 40.360 40.800 -0.085 0.000 0.961 200 D HN 0.175 8.545 8.370 0.000 0.000 0.470 201 V N 0.881 120.799 119.914 0.007 0.000 2.407 201 V HA -0.201 3.917 4.120 -0.004 0.000 0.248 201 V C 2.529 178.614 176.094 -0.016 0.000 1.055 201 V CA 1.127 63.458 62.300 0.051 0.000 1.049 201 V CB -0.331 31.547 31.823 0.092 0.000 0.662 201 V HN 0.211 8.401 8.190 0.000 0.000 0.455 202 L N -0.719 120.480 121.223 -0.040 0.000 2.109 202 L HA -0.131 4.207 4.340 -0.004 0.000 0.207 202 L C 2.588 179.418 176.870 -0.066 0.000 1.086 202 L CA 1.735 56.537 54.840 -0.064 0.000 0.760 202 L CB -0.852 41.176 42.059 -0.052 0.000 0.910 202 L HN 0.333 8.563 8.230 0.000 0.000 0.437 203 T N 0.278 114.782 114.554 -0.084 0.000 2.746 203 T HA -0.184 4.164 4.350 -0.004 0.000 0.267 203 T C 1.808 176.531 174.700 0.038 0.000 1.039 203 T CA 1.281 63.338 62.100 -0.073 0.000 1.142 203 T CB -0.210 68.498 68.868 -0.267 0.000 0.866 203 T HN 0.122 8.362 8.240 0.000 0.000 0.444 204 L N 1.209 122.426 121.223 -0.010 0.000 2.056 204 L HA 0.082 4.420 4.340 -0.004 0.000 0.207 204 L C 2.134 178.965 176.870 -0.065 0.000 1.078 204 L CA 1.388 56.252 54.840 0.040 0.000 0.749 204 L CB -0.910 41.225 42.059 0.126 0.000 0.901 204 L HN 0.159 8.389 8.230 0.000 0.000 0.433 205 L N -0.789 120.257 121.223 -0.294 0.000 2.012 205 L HA -0.198 4.140 4.340 -0.004 0.000 0.210 205 L C 2.492 179.242 176.870 -0.200 0.000 1.073 205 L CA 2.203 56.689 54.840 -0.591 0.000 0.748 205 L CB -1.121 40.602 42.059 -0.560 0.000 0.891 205 L HN 0.325 8.555 8.230 0.000 0.000 0.431 206 S N -0.307 115.371 115.700 -0.037 0.000 2.370 206 S HA -0.175 4.293 4.470 -0.004 0.000 0.226 206 S C 1.976 176.720 174.600 0.241 0.000 1.033 206 S CA 1.895 60.140 58.200 0.075 0.000 1.011 206 S CB -0.487 62.778 63.200 0.107 0.000 0.852 206 S HN 0.515 8.825 8.310 0.000 0.000 0.457 207 I N 0.708 121.433 120.570 0.259 0.000 2.252 207 I HA -0.178 3.990 4.170 -0.004 0.000 0.245 207 I C 1.993 178.267 176.117 0.261 0.000 1.102 207 I CA 0.749 62.201 61.300 0.254 0.000 1.385 207 I CB -0.353 37.761 38.000 0.190 0.000 1.064 207 I HN 0.341 8.551 8.210 0.000 0.000 0.414 208 C N 0.308 119.733 119.300 0.208 0.000 2.472 208 C HA -0.080 4.378 4.460 -0.004 0.000 0.278 208 C C 2.508 177.632 174.990 0.223 0.000 1.447 208 C CA 0.424 59.591 59.018 0.249 0.000 1.773 208 C CB -1.282 26.658 27.740 0.333 0.000 1.793 208 C HN 0.516 8.746 8.230 0.000 0.000 0.544 209 Q N -1.271 118.642 119.800 0.188 0.000 2.432 209 Q HA -0.126 4.212 4.340 -0.004 0.000 0.205 209 Q C 1.808 177.943 176.000 0.226 0.000 0.945 209 Q CA 0.573 56.478 55.803 0.169 0.000 0.924 209 Q CB -0.060 28.747 28.738 0.115 0.000 1.016 209 Q HN 0.842 9.112 8.270 0.000 0.000 0.503 210 W N 1.958 123.307 121.300 0.082 0.000 2.333 210 W HA -0.133 4.525 4.660 -0.003 0.000 0.316 210 W C 0.214 176.748 176.519 0.023 0.000 1.215 210 W CA 1.217 58.584 57.345 0.037 0.000 1.278 210 W CB 0.446 29.890 29.460 -0.025 0.000 1.154 210 W HN -0.296 7.884 8.180 0.000 0.000 0.486 211 K N -0.236 120.085 120.400 -0.131 0.000 2.753 211 K HA 0.205 4.523 4.320 -0.004 0.000 0.185 211 K C -2.193 174.371 176.600 -0.061 0.000 1.071 211 K CA -1.588 54.518 56.287 -0.302 0.000 0.999 211 K CB 1.229 33.411 32.500 -0.530 0.000 1.244 211 K HN -0.025 8.225 8.250 0.000 0.000 0.594 212 P HA -0.142 4.278 4.420 0.000 0.000 0.214 212 P C 1.498 178.824 177.300 0.042 0.000 1.162 212 P CA 0.966 64.101 63.100 0.058 0.000 0.879 212 P CB 0.490 32.227 31.700 0.062 0.000 0.786 213 Q N -0.435 119.367 119.800 0.004 0.000 2.050 213 Q HA -0.175 4.163 4.340 -0.004 0.000 0.202 213 Q C 2.070 178.079 176.000 0.016 0.000 0.980 213 Q CA 1.901 57.706 55.803 0.005 0.000 0.840 213 Q CB -0.653 28.075 28.738 -0.016 0.000 0.898 213 Q HN 0.085 8.355 8.270 0.000 0.000 0.424 214 A N 1.120 123.937 122.820 -0.004 0.000 1.933 214 A HA -0.168 4.150 4.320 -0.004 0.000 0.218 214 A C 2.010 179.656 177.584 0.104 0.000 1.175 214 A CA 1.038 53.092 52.037 0.028 0.000 0.628 214 A CB -0.791 18.192 19.000 -0.029 0.000 0.814 214 A HN 0.549 8.699 8.150 0.000 0.000 0.444 215 L N -0.476 120.806 121.223 0.098 0.000 2.046 215 L HA -0.148 4.190 4.340 -0.004 0.000 0.208 215 L C 2.310 179.313 176.870 0.222 0.000 1.077 215 L CA 1.908 56.849 54.840 0.169 0.000 0.747 215 L CB -0.625 41.533 42.059 0.165 0.000 0.896 215 L HN 0.448 8.678 8.230 0.000 0.000 0.432 216 L N -0.428 120.879 121.223 0.139 0.000 2.027 216 L HA -0.242 4.096 4.340 -0.004 0.000 0.206 216 L C 2.742 179.650 176.870 0.064 0.000 1.074 216 L CA 1.372 56.266 54.840 0.089 0.000 0.745 216 L CB -0.578 41.501 42.059 0.032 0.000 0.898 216 L HN 0.389 8.619 8.230 0.000 0.000 0.433 217 Q N -0.547 119.292 119.800 0.064 0.000 2.112 217 Q HA -0.298 4.040 4.340 -0.004 0.000 0.206 217 Q C 2.170 178.225 176.000 0.092 0.000 0.987 217 Q CA 2.367 58.191 55.803 0.036 0.000 0.858 217 Q CB -0.292 28.477 28.738 0.050 0.000 0.905 217 Q HN 0.568 8.838 8.270 0.000 0.000 0.420 218 W N -0.172 121.154 121.300 0.043 0.000 2.409 218 W HA -0.134 4.523 4.660 -0.004 0.000 0.299 218 W C 1.883 178.502 176.519 0.166 0.000 1.203 218 W CA 1.277 58.712 57.345 0.150 0.000 1.298 218 W CB -0.147 29.409 29.460 0.159 0.000 1.127 218 W HN -0.058 8.122 8.180 0.000 0.000 0.528 219 V N 0.951 121.068 119.914 0.338 0.000 2.343 219 V HA -0.307 3.811 4.120 -0.004 0.000 0.247 219 V C 1.941 177.998 176.094 -0.061 0.000 1.051 219 V CA 2.355 64.762 62.300 0.178 0.000 1.036 219 V CB -0.871 31.070 31.823 0.197 0.000 0.654 219 V HN 0.071 8.261 8.190 0.000 0.000 0.451 220 D N -0.274 120.049 120.400 -0.129 0.000 2.178 220 D HA -0.152 4.486 4.640 -0.004 0.000 0.201 220 D C 2.192 178.358 176.300 -0.223 0.000 0.980 220 D CA 1.143 54.986 54.000 -0.263 0.000 0.842 220 D CB -0.063 40.448 40.800 -0.482 0.000 0.948 220 D HN 0.565 8.935 8.370 0.000 0.000 0.472 221 E N -0.673 119.328 120.200 -0.332 0.000 2.112 221 E HA -0.090 4.258 4.350 -0.004 0.000 0.190 221 E C 1.360 177.556 176.600 -0.674 0.000 0.979 221 E CA 0.728 56.816 56.400 -0.522 0.000 0.814 221 E CB 0.084 29.346 29.700 -0.730 0.000 0.762 221 E HN 0.461 8.821 8.360 0.000 0.000 0.460 222 H N -0.679 118.095 119.070 -0.492 0.000 2.750 222 H HA 0.339 4.893 4.556 -0.004 0.000 0.263 222 H C 0.213 175.370 175.328 -0.285 0.000 0.964 222 H CA 0.066 55.789 56.048 -0.542 0.000 1.205 222 H CB 0.634 29.679 29.762 -1.195 0.000 1.454 222 H HN 0.025 8.305 8.280 0.000 0.000 0.503 223 A N 2.161 124.929 122.820 -0.086 0.000 2.586 223 A HA 0.145 4.463 4.320 -0.004 0.000 0.231 223 A C 0.599 178.270 177.584 0.144 0.000 1.055 223 A CA 0.183 52.255 52.037 0.059 0.000 0.756 223 A CB -0.050 18.972 19.000 0.037 0.000 0.988 223 A HN 0.633 8.783 8.150 0.000 0.000 0.509 224 R N 1.354 121.974 120.500 0.200 0.000 2.807 224 R HA 0.691 5.029 4.340 -0.004 0.000 0.276 224 R C -3.281 173.083 176.300 0.106 0.000 0.979 224 R CA -2.198 54.002 56.100 0.167 0.000 0.928 224 R CB 1.013 31.345 30.300 0.054 0.000 1.191 224 R HN 0.334 8.604 8.270 0.000 0.000 0.471 225 P HA -0.016 4.404 4.420 0.000 0.000 0.268 225 P C -0.337 176.847 177.300 -0.193 0.000 1.204 225 P CA -0.152 62.732 63.100 -0.360 0.000 0.768 225 P CB 0.207 31.711 31.700 -0.326 0.000 0.842 226 F N 3.274 123.032 119.950 -0.321 0.000 2.333 226 F HA -0.207 4.317 4.527 -0.004 0.000 0.300 226 F C 2.040 177.734 175.800 -0.178 0.000 1.083 226 F CA 1.937 59.785 58.000 -0.254 0.000 1.395 226 F CB -0.292 38.560 39.000 -0.248 0.000 1.056 226 F HN 0.274 8.574 8.300 0.000 0.000 0.529 227 S N -1.307 114.322 115.700 -0.119 0.000 2.442 227 S HA -0.202 4.265 4.470 -0.004 0.000 0.236 227 S C 1.908 176.393 174.600 -0.192 0.000 1.007 227 S CA 1.264 59.382 58.200 -0.136 0.000 0.965 227 S CB -1.499 61.645 63.200 -0.093 0.000 0.773 227 S HN 0.558 8.868 8.310 0.000 0.000 0.504 228 T N -0.484 113.949 114.554 -0.202 0.000 3.118 228 T HA 0.211 4.558 4.350 -0.004 0.000 0.260 228 T C 0.542 175.118 174.700 -0.206 0.000 1.139 228 T CA -0.097 61.903 62.100 -0.166 0.000 1.085 228 T CB -0.632 68.166 68.868 -0.118 0.000 0.934 228 T HN 0.181 8.421 8.240 0.000 0.000 0.518 229 V N 2.707 122.408 119.914 -0.356 0.000 2.479 229 V HA 0.172 4.290 4.120 -0.004 0.000 0.281 229 V C 0.432 176.359 176.094 -0.279 0.000 1.031 229 V CA -0.533 61.546 62.300 -0.368 0.000 1.038 229 V CB 0.112 31.517 31.823 -0.698 0.000 0.981 229 V HN 0.440 8.630 8.190 0.000 0.000 0.478 230 K N 7.625 127.928 120.400 -0.162 0.000 2.298 230 K HA 0.278 4.596 4.320 -0.004 0.000 0.280 230 K C -2.283 174.242 176.600 -0.126 0.000 1.032 230 K CA -1.318 54.895 56.287 -0.122 0.000 0.958 230 K CB 0.396 32.852 32.500 -0.073 0.000 0.978 230 K HN 0.442 8.692 8.250 0.000 0.000 0.472 231 P HA -0.107 4.313 4.420 0.000 0.000 0.269 231 P C 0.359 177.585 177.300 -0.124 0.000 1.209 231 P CA 0.070 63.077 63.100 -0.156 0.000 0.776 231 P CB 0.704 32.297 31.700 -0.179 0.000 0.876 232 M N 3.224 122.734 119.600 -0.149 0.000 2.065 232 M HA -0.157 4.321 4.480 -0.004 0.000 0.259 232 M C 0.113 176.454 176.300 0.068 0.000 1.069 232 M CA 1.991 57.265 55.300 -0.043 0.000 1.110 232 M CB -0.139 32.441 32.600 -0.034 0.000 1.328 232 M HN 0.473 8.763 8.290 0.000 0.000 0.405 233 Y N -2.528 117.739 120.300 -0.055 0.000 2.677 233 Y HA 0.789 5.337 4.550 -0.002 0.000 0.334 233 Y C -0.440 175.434 175.900 -0.044 0.000 1.154 233 Y CA -1.063 57.011 58.100 -0.042 0.000 1.070 233 Y CB 0.531 38.969 38.460 -0.036 0.000 1.294 233 Y HN -0.015 8.265 8.280 0.000 0.000 0.475 234 G N 0.000 108.882 108.800 0.136 0.000 5.446 234 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 234 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 234 G CA 0.000 45.119 45.100 0.031 0.000 0.502 234 G HN 0.000 8.290 8.290 0.000 0.000 0.925