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 1xax_1_A DATA FIRST_RESID 3 DATA SEQUENCE SVLVDLQIAT ENIEGLPTEE QIVQWATGAV QPEGNEVEMT VRIVDEAESH DATA SEQUENCE ELNLTYRGKD RPTNVLSFPF ECPDEVELPL LGDLVICRQV VEREASEQEK DATA SEQUENCE PLMAHWAHMV VHGSLHLLGY DHIEDDEAEE MESLETQIMQ GLGF 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 3 S HA 0.000 4.459 4.470 -0.018 0.000 0.327 3 S C 0.000 174.585 174.600 -0.024 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 3 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 4 V N 3.853 123.751 119.914 -0.025 0.000 2.284 4 V HA 0.255 4.616 4.120 -0.034 -0.261 0.260 4 V C -0.927 175.149 176.094 -0.030 0.000 1.084 4 V CA -0.542 61.740 62.300 -0.030 0.000 0.894 4 V CB -1.020 30.785 31.823 -0.029 0.000 1.119 4 V HN 0.394 8.570 8.190 -0.023 0.000 0.484 5 L N 10.447 131.650 121.223 -0.033 0.000 2.292 5 L HA 0.368 4.691 4.340 -0.028 0.000 0.284 5 L C -1.623 175.227 176.870 -0.034 0.000 1.065 5 L CA -0.478 54.343 54.840 -0.031 0.000 0.806 5 L CB 1.284 43.326 42.059 -0.029 0.000 1.175 5 L HN 0.571 8.780 8.230 -0.036 0.000 0.431 6 V N 4.398 124.294 119.914 -0.030 0.000 2.823 6 V HA 0.567 4.775 4.120 -0.028 -0.105 0.312 6 V C -1.531 174.547 176.094 -0.025 0.000 1.072 6 V CA -2.617 59.667 62.300 -0.026 0.000 0.937 6 V CB 3.853 35.664 31.823 -0.020 0.000 1.013 6 V HN 0.329 8.501 8.190 -0.029 0.000 0.430 7 D N 6.487 126.878 120.400 -0.016 0.000 2.414 7 D HA 0.251 4.875 4.640 -0.027 0.000 0.232 7 D C -1.786 174.510 176.300 -0.006 0.000 1.070 7 D CA -0.487 53.503 54.000 -0.016 0.000 0.839 7 D CB 2.809 43.601 40.800 -0.013 0.000 1.079 7 D HN 0.494 8.751 8.370 -0.008 0.109 0.521 8 L N 5.598 126.799 121.223 -0.036 0.000 2.321 8 L HA 0.291 4.723 4.340 -0.002 -0.094 0.272 8 L C -1.462 175.388 176.870 -0.033 0.000 1.050 8 L CA -1.067 53.739 54.840 -0.058 0.000 0.893 8 L CB -0.319 41.630 42.059 -0.184 0.000 1.272 8 L HN 0.626 8.827 8.230 -0.049 0.000 0.435 9 Q N 6.080 125.892 119.800 0.020 0.000 2.465 9 Q HA 0.187 4.524 4.340 -0.005 0.000 0.237 9 Q C -1.548 174.483 176.000 0.051 0.000 1.051 9 Q CA -1.362 54.452 55.803 0.018 0.000 0.874 9 Q CB 1.138 29.881 28.738 0.008 0.000 1.207 9 Q HN 0.666 8.967 8.270 0.051 0.000 0.508 10 I N 5.124 125.717 120.570 0.039 0.000 2.720 10 I HA 0.105 4.492 4.170 0.118 -0.146 0.287 10 I C -0.706 175.436 176.117 0.042 0.000 1.090 10 I CA -0.449 60.891 61.300 0.066 0.000 1.384 10 I CB 1.709 39.739 38.000 0.049 0.000 1.420 10 I HN 0.136 8.350 8.210 0.008 0.000 0.575 11 A N 6.225 129.073 122.820 0.047 0.000 2.035 11 A HA 0.030 4.359 4.320 0.016 0.000 0.208 11 A C -0.610 176.986 177.584 0.021 0.000 1.206 11 A CA 1.152 53.205 52.037 0.026 0.000 0.773 11 A CB 1.065 20.078 19.000 0.022 0.000 0.878 11 A HN 0.331 8.522 8.150 0.067 0.000 0.469 12 T N -2.915 111.656 114.554 0.029 0.000 2.882 12 T HA 0.132 4.491 4.350 0.015 0.000 0.287 12 T C -0.146 174.564 174.700 0.018 0.000 0.992 12 T CA -0.377 61.736 62.100 0.022 0.000 1.076 12 T CB 0.801 69.685 68.868 0.026 0.000 0.961 12 T HN -0.307 7.959 8.240 0.042 0.000 0.490 13 E N 1.790 121.996 120.200 0.011 0.000 2.190 13 E HA -0.053 4.299 4.350 0.005 0.000 0.191 13 E C 0.184 176.788 176.600 0.006 0.000 0.978 13 E CA 0.923 57.327 56.400 0.006 0.000 0.839 13 E CB 0.568 30.269 29.700 0.002 0.000 0.787 13 E HN 0.377 8.742 8.360 0.009 0.000 0.473 14 N N 0.159 118.864 118.700 0.008 0.000 2.448 14 N HA 0.162 4.905 4.740 0.005 0.000 0.279 14 N C -1.620 173.896 175.510 0.011 0.000 1.025 14 N CA -0.253 52.801 53.050 0.007 0.000 0.898 14 N CB 1.141 39.631 38.487 0.004 0.000 1.303 14 N HN -0.309 8.076 8.380 0.008 0.000 0.495 15 I N -1.489 119.089 120.570 0.013 0.000 3.343 15 I HA 0.211 4.389 4.170 0.014 0.000 0.315 15 I C 0.067 176.192 176.117 0.012 0.000 1.153 15 I CA -2.293 59.017 61.300 0.017 0.000 0.952 15 I CB 1.483 39.501 38.000 0.031 0.000 1.287 15 I HN 0.058 8.275 8.210 0.011 0.000 0.472 16 E N 2.193 122.400 120.200 0.012 0.000 2.476 16 E HA -0.016 4.335 4.350 0.002 0.000 0.191 16 E C -0.421 176.184 176.600 0.009 0.000 1.064 16 E CA 0.721 57.124 56.400 0.005 0.000 0.866 16 E CB 0.115 29.814 29.700 -0.001 0.000 0.952 16 E HN 0.611 8.980 8.360 0.014 0.000 0.492 17 G N -1.681 107.132 108.800 0.022 0.000 3.876 17 G HA2 0.008 3.978 3.960 0.016 0.000 0.249 17 G HA3 0.008 3.990 3.960 0.035 0.000 0.249 17 G C -1.520 173.416 174.900 0.059 0.000 3.894 17 G CA -0.455 44.664 45.100 0.032 0.000 0.527 17 G HN -0.278 7.935 8.290 0.027 0.093 0.244 18 L N -0.522 120.722 121.223 0.036 0.000 2.536 18 L HA 0.223 4.599 4.340 0.059 0.000 0.294 18 L C -0.920 175.967 176.870 0.027 0.000 1.257 18 L CA -0.569 54.292 54.840 0.035 0.000 0.850 18 L CB -1.192 40.868 42.059 0.002 0.000 1.105 18 L HN -0.230 8.012 8.230 0.019 0.000 0.517 19 P HA 0.006 4.345 4.420 -0.134 0.000 0.216 19 P C -0.803 176.331 177.300 -0.277 0.000 1.151 19 P CA 0.120 63.118 63.100 -0.171 0.000 0.863 19 P CB 1.196 32.763 31.700 -0.223 0.000 0.790 20 T N -5.350 109.085 114.554 -0.197 0.000 0.546 20 T HA -0.340 3.936 4.350 -0.124 0.000 0.773 20 T C 0.482 175.049 174.700 -0.221 0.000 0.992 20 T CA 0.416 62.418 62.100 -0.164 0.000 4.073 20 T CB -0.338 68.462 68.868 -0.113 0.000 2.301 20 T HN -0.295 7.860 8.240 -0.142 0.000 0.397 21 E N 3.699 123.799 120.200 -0.168 0.000 2.072 21 E HA -0.526 3.689 4.350 -0.224 0.000 0.191 21 E C 1.436 177.971 176.600 -0.109 0.000 0.985 21 E CA 2.752 59.058 56.400 -0.158 0.000 0.801 21 E CB -0.311 29.325 29.700 -0.106 0.000 0.750 21 E HN 0.499 8.782 8.360 -0.129 0.000 0.452 22 E N -0.372 119.782 120.200 -0.077 0.000 2.065 22 E HA -0.337 3.994 4.350 -0.032 0.000 0.201 22 E C 2.680 179.264 176.600 -0.027 0.000 1.016 22 E CA 3.696 60.070 56.400 -0.043 0.000 0.818 22 E CB -0.763 28.916 29.700 -0.035 0.000 0.749 22 E HN 0.405 8.718 8.360 -0.078 0.000 0.453 23 Q N -1.489 118.281 119.800 -0.050 0.000 1.942 23 Q HA -0.290 4.063 4.340 0.022 0.000 0.203 23 Q C 2.331 178.340 176.000 0.017 0.000 0.987 23 Q CA 2.794 58.583 55.803 -0.025 0.000 0.844 23 Q CB -0.351 28.337 28.738 -0.083 0.000 0.911 23 Q HN -0.531 7.693 8.270 -0.076 0.000 0.423 24 I N -0.549 119.954 120.570 -0.111 0.000 2.068 24 I HA -0.501 3.681 4.170 0.019 0.000 0.238 24 I C 2.427 178.570 176.117 0.043 0.000 1.046 24 I CA 3.527 64.766 61.300 -0.101 0.000 1.306 24 I CB -1.673 36.044 38.000 -0.472 0.000 1.023 24 I HN -0.442 7.643 8.210 -0.208 0.000 0.399 25 V N 0.149 120.042 119.914 -0.035 0.000 2.231 25 V HA -0.423 3.697 4.120 0.000 0.000 0.248 25 V C 2.717 178.830 176.094 0.032 0.000 1.054 25 V CA 4.158 66.455 62.300 -0.006 0.000 1.015 25 V CB -0.935 30.868 31.823 -0.033 0.000 0.638 25 V HN 0.288 8.312 8.190 -0.105 0.102 0.444 26 Q N -1.126 118.701 119.800 0.045 0.000 2.002 26 Q HA -0.377 3.980 4.340 0.027 0.000 0.204 26 Q C 2.182 178.247 176.000 0.109 0.000 0.988 26 Q CA 3.287 59.127 55.803 0.061 0.000 0.843 26 Q CB -0.030 28.747 28.738 0.065 0.000 0.908 26 Q HN -0.388 7.794 8.270 0.026 0.104 0.420 27 W N 0.518 121.817 121.300 -0.002 0.000 2.311 27 W HA -0.438 4.244 4.660 0.036 0.000 0.326 27 W C 1.455 178.017 176.519 0.072 0.000 1.239 27 W CA 3.241 60.607 57.345 0.035 0.000 1.258 27 W CB -0.173 29.308 29.460 0.036 0.000 1.165 27 W HN 0.366 8.613 8.180 0.297 0.111 0.466 28 A N -1.288 121.483 122.820 -0.082 0.000 1.838 28 A HA -0.222 3.844 4.320 -0.423 0.000 0.215 28 A C 1.448 178.976 177.584 -0.093 0.000 1.273 28 A CA 2.388 54.329 52.037 -0.159 0.000 0.602 28 A CB -0.224 18.852 19.000 0.126 0.000 0.934 28 A HN 0.215 8.530 8.150 0.274 0.000 0.461 29 T N -0.429 114.117 114.554 -0.014 0.000 2.897 29 T HA -0.340 3.993 4.350 -0.027 0.000 0.271 29 T C 2.341 177.016 174.700 -0.041 0.000 1.084 29 T CA 3.647 65.733 62.100 -0.024 0.000 1.123 29 T CB -0.730 68.133 68.868 -0.010 0.000 0.865 29 T HN -0.004 8.254 8.240 0.029 0.000 0.496 30 G N 0.378 109.154 108.800 -0.041 0.000 2.430 30 G HA2 -0.132 3.810 3.960 -0.031 0.000 0.216 30 G HA3 -0.132 3.897 3.960 -0.018 -0.080 0.216 30 G C -0.579 174.278 174.900 -0.072 0.000 1.146 30 G CA 0.938 46.015 45.100 -0.039 0.000 0.793 30 G HN 0.401 8.486 8.290 -0.027 0.189 0.537 31 A N -1.112 121.628 122.820 -0.134 0.000 2.208 31 A HA 0.198 4.438 4.320 -0.133 0.000 0.209 31 A C 0.762 178.256 177.584 -0.149 0.000 1.161 31 A CA 1.634 53.565 52.037 -0.176 0.000 0.782 31 A CB -0.520 18.284 19.000 -0.327 0.000 0.816 31 A HN -0.595 7.353 8.150 -0.161 0.105 0.477 32 V N -1.659 118.186 119.914 -0.116 0.000 2.575 32 V HA -0.065 3.992 4.120 -0.104 0.000 0.242 32 V C 0.310 176.367 176.094 -0.062 0.000 1.045 32 V CA 1.441 63.688 62.300 -0.088 0.000 1.065 32 V CB 0.559 32.343 31.823 -0.065 0.000 0.717 32 V HN -0.803 7.153 8.190 -0.105 0.171 0.467 33 Q N -2.449 117.321 119.800 -0.052 0.000 2.263 33 Q HA 0.496 4.874 4.340 -0.036 -0.059 0.337 33 Q C -2.019 173.960 176.000 -0.035 0.000 0.906 33 Q CA -2.315 53.465 55.803 -0.038 0.000 1.124 33 Q CB -0.612 28.108 28.738 -0.030 0.000 1.255 33 Q HN -0.617 7.620 8.270 -0.054 0.000 0.435 34 P HA -0.113 4.289 4.420 -0.030 0.000 0.222 34 P C -0.345 176.939 177.300 -0.026 0.000 1.147 34 P CA 1.480 64.560 63.100 -0.034 0.000 0.790 34 P CB 0.459 32.135 31.700 -0.040 0.000 0.780 35 E N -1.467 118.717 120.200 -0.026 0.000 2.280 35 E HA 0.049 4.388 4.350 -0.018 0.000 0.197 35 E C -0.342 176.247 176.600 -0.018 0.000 0.913 35 E CA -0.359 56.029 56.400 -0.020 0.000 0.995 35 E CB 1.189 30.877 29.700 -0.021 0.000 0.991 35 E HN 0.100 8.393 8.360 -0.030 0.049 0.484 36 G N 1.059 109.847 108.800 -0.019 0.000 2.557 36 G HA2 0.203 4.154 3.960 -0.015 0.000 0.310 36 G HA3 0.203 4.154 3.960 -0.015 0.000 0.310 36 G C -1.941 172.949 174.900 -0.018 0.000 1.328 36 G CA -0.854 44.236 45.100 -0.016 0.000 0.945 36 G HN -0.099 8.178 8.290 -0.022 0.000 0.494 37 N N 1.714 120.404 118.700 -0.017 0.000 2.272 37 N HA 0.065 5.029 4.740 -0.020 -0.236 0.305 37 N C -1.308 174.191 175.510 -0.017 0.000 1.103 37 N CA -2.020 51.019 53.050 -0.019 0.000 0.791 37 N CB 2.384 40.858 38.487 -0.021 0.000 1.356 37 N HN 0.069 8.440 8.380 -0.016 0.000 0.486 38 E N 0.672 120.860 120.200 -0.019 0.000 3.397 38 E HA 0.024 4.533 4.350 -0.022 -0.172 0.380 38 E C -2.494 174.090 176.600 -0.026 0.000 0.989 38 E CA 0.510 56.898 56.400 -0.020 0.000 0.783 38 E CB 1.533 31.224 29.700 -0.015 0.000 1.334 38 E HN -0.238 8.283 8.360 -0.020 -0.173 0.457 39 V N -2.644 117.248 119.914 -0.036 0.000 2.890 39 V HA 0.221 4.306 4.120 -0.058 0.000 0.270 39 V C -3.253 172.804 176.094 -0.061 0.000 1.889 39 V CA -0.203 62.066 62.300 -0.052 0.000 0.897 39 V CB 2.557 34.348 31.823 -0.053 0.000 1.373 39 V HN 0.616 8.702 8.190 -0.035 0.084 0.417 40 E N 1.141 121.292 120.200 -0.082 0.000 2.265 40 E HA 0.928 5.483 4.350 -0.058 -0.240 0.262 40 E C -1.691 174.856 176.600 -0.089 0.000 0.889 40 E CA -1.409 54.947 56.400 -0.074 0.000 0.789 40 E CB 3.046 32.705 29.700 -0.068 0.000 1.221 40 E HN 0.222 8.521 8.360 -0.101 0.000 0.414 41 M N 5.910 125.467 119.600 -0.071 0.000 2.022 41 M HA 0.498 5.037 4.480 -0.089 -0.112 0.298 41 M C -0.822 175.461 176.300 -0.028 0.000 0.909 41 M CA -1.443 53.814 55.300 -0.072 0.000 0.914 41 M CB 1.467 34.011 32.600 -0.092 0.000 1.486 41 M HN 0.974 9.121 8.290 -0.056 0.109 0.415 42 T N 4.474 119.023 114.554 -0.009 0.000 2.817 42 T HA 0.425 4.850 4.350 0.002 -0.073 0.293 42 T C -0.665 174.060 174.700 0.041 0.000 0.964 42 T CA -0.719 61.387 62.100 0.011 0.000 1.085 42 T CB 0.112 68.986 68.868 0.010 0.000 0.921 42 T HN 0.758 8.992 8.240 -0.011 0.000 0.502 43 V N 3.932 123.878 119.914 0.054 0.000 2.569 43 V HA 0.215 4.515 4.120 0.104 -0.117 0.301 43 V C -1.926 174.231 176.094 0.105 0.000 1.044 43 V CA -0.730 61.631 62.300 0.102 0.000 0.874 43 V CB 3.036 34.956 31.823 0.162 0.000 1.002 43 V HN 0.667 8.768 8.190 0.035 0.111 0.424 44 R N 6.298 126.862 120.500 0.106 0.000 2.275 44 R HA 0.429 4.815 4.340 0.076 0.000 0.326 44 R C -2.229 174.140 176.300 0.115 0.000 0.973 44 R CA -1.311 54.841 56.100 0.087 0.000 0.854 44 R CB 2.368 32.694 30.300 0.044 0.000 1.156 44 R HN 0.840 9.040 8.270 0.113 0.137 0.487 45 I N 7.786 128.449 120.570 0.156 0.000 2.307 45 I HA 0.737 5.221 4.170 0.113 -0.247 0.287 45 I C -2.941 173.236 176.117 0.100 0.000 1.054 45 I CA -1.111 60.289 61.300 0.167 0.000 1.218 45 I CB 1.510 39.737 38.000 0.379 0.000 1.398 45 I HN 0.302 8.504 8.210 0.160 0.104 0.475 46 V N 6.813 126.754 119.914 0.045 0.000 3.216 46 V HA 0.353 4.491 4.120 0.030 0.000 0.302 46 V C -2.079 174.001 176.094 -0.023 0.000 1.286 46 V CA -2.754 59.556 62.300 0.015 0.000 1.048 46 V CB 4.301 36.127 31.823 0.004 0.000 1.081 46 V HN 0.383 8.593 8.190 0.032 0.000 0.442 47 D N 3.023 123.408 120.400 -0.026 0.000 2.341 47 D HA -0.179 4.441 4.640 -0.033 0.000 0.233 47 D C 1.088 177.313 176.300 -0.125 0.000 1.270 47 D CA 1.346 55.318 54.000 -0.046 0.000 0.883 47 D CB 0.901 41.687 40.800 -0.024 0.000 1.207 47 D HN 0.239 8.603 8.370 -0.010 0.000 0.471 48 E N 0.240 120.358 120.200 -0.137 0.000 2.017 48 E HA -0.380 3.601 4.350 -0.616 0.000 0.193 48 E C 2.046 178.383 176.600 -0.438 0.000 0.997 48 E CA 3.635 59.821 56.400 -0.357 0.000 0.804 48 E CB 0.068 29.789 29.700 0.035 0.000 0.757 48 E HN 0.502 8.828 8.360 -0.057 0.000 0.448 49 A N -0.815 121.972 122.820 -0.056 0.000 1.869 49 A HA -0.402 4.012 4.320 0.156 0.000 0.218 49 A C 2.150 179.733 177.584 -0.003 0.000 1.203 49 A CA 3.655 55.717 52.037 0.041 0.000 0.638 49 A CB -1.007 18.022 19.000 0.048 0.000 0.831 49 A HN 0.375 8.520 8.150 -0.008 0.000 0.450 50 E N -1.579 118.600 120.200 -0.034 0.000 2.035 50 E HA -0.398 3.958 4.350 0.011 0.000 0.204 50 E C 2.675 179.267 176.600 -0.013 0.000 1.025 50 E CA 3.957 60.347 56.400 -0.016 0.000 0.835 50 E CB -0.217 29.470 29.700 -0.022 0.000 0.764 50 E HN 0.289 8.625 8.360 -0.039 0.000 0.457 51 S N -0.286 115.366 115.700 -0.082 0.000 2.359 51 S HA -0.415 4.082 4.470 0.045 0.000 0.222 51 S C 2.001 176.654 174.600 0.089 0.000 1.038 51 S CA 4.088 62.273 58.200 -0.024 0.000 1.051 51 S CB 0.001 63.141 63.200 -0.099 0.000 0.944 51 S HN -0.699 7.528 8.310 -0.139 0.000 0.433 52 H N 0.539 119.673 119.070 0.106 0.000 2.265 52 H HA -0.368 4.252 4.556 0.108 0.000 0.293 52 H C 2.469 177.861 175.328 0.108 0.000 1.089 52 H CA 2.216 58.323 56.048 0.098 0.000 1.244 52 H CB -0.851 28.950 29.762 0.065 0.000 1.355 52 H HN 0.230 8.210 8.280 -0.500 0.000 0.485 53 E N -0.769 119.557 120.200 0.210 0.000 2.077 53 E HA -0.297 4.139 4.350 0.144 0.000 0.193 53 E C 2.838 179.532 176.600 0.157 0.000 0.989 53 E CA 2.412 58.901 56.400 0.149 0.000 0.800 53 E CB -0.285 29.476 29.700 0.102 0.000 0.746 53 E HN 0.234 8.593 8.360 0.186 0.113 0.452 54 L N -0.184 121.128 121.223 0.148 0.000 1.990 54 L HA -0.387 4.018 4.340 0.108 0.000 0.213 54 L C 1.830 178.890 176.870 0.317 0.000 1.072 54 L CA 3.516 58.446 54.840 0.151 0.000 0.755 54 L CB -0.672 41.435 42.059 0.080 0.000 0.889 54 L HN 0.581 8.688 8.230 0.123 0.196 0.432 55 N N -0.468 118.474 118.700 0.404 0.000 2.051 55 N HA -0.335 4.976 4.740 0.953 0.000 0.192 55 N C 2.475 178.172 175.510 0.312 0.000 1.049 55 N CA 2.965 56.360 53.050 0.574 0.000 0.845 55 N CB -0.581 38.223 38.487 0.529 0.000 1.031 55 N HN 0.070 8.652 8.380 0.336 0.000 0.425 56 L N -1.630 119.715 121.223 0.203 0.000 2.261 56 L HA -0.204 4.231 4.340 0.059 -0.059 0.216 56 L C 2.380 179.311 176.870 0.102 0.000 1.114 56 L CA 3.162 58.066 54.840 0.107 0.000 0.777 56 L CB -0.423 41.691 42.059 0.092 0.000 0.910 56 L HN 0.074 8.438 8.230 0.224 0.000 0.440 57 T N -2.185 112.466 114.554 0.160 0.000 3.014 57 T HA -0.080 4.329 4.350 0.098 0.000 0.263 57 T C 0.741 175.548 174.700 0.178 0.000 1.078 57 T CA 1.890 64.076 62.100 0.143 0.000 1.135 57 T CB -0.023 68.926 68.868 0.135 0.000 0.895 57 T HN 0.047 8.266 8.240 0.210 0.147 0.480 58 Y N 0.155 120.491 120.300 0.060 0.000 2.445 58 Y HA 0.315 4.887 4.550 0.036 0.000 0.247 58 Y C -0.095 175.845 175.900 0.067 0.000 1.129 58 Y CA -0.366 57.764 58.100 0.049 0.000 1.251 58 Y CB 1.181 39.659 38.460 0.029 0.000 1.176 58 Y HN -0.368 8.043 8.280 0.398 0.108 0.522 59 R N -4.640 115.627 120.500 -0.388 0.000 2.700 59 R HA 0.231 4.399 4.340 -0.286 0.000 0.151 59 R C 0.318 176.520 176.300 -0.164 0.000 0.918 59 R CA -0.157 55.708 56.100 -0.392 0.000 1.891 59 R CB 1.302 31.196 30.300 -0.676 0.000 1.667 59 R HN 0.087 8.260 8.270 -0.161 0.000 0.523 60 G N -0.206 108.541 108.800 -0.088 0.000 2.270 60 G HA2 -0.418 3.627 3.960 -0.000 0.000 0.224 60 G HA3 -0.418 3.519 3.960 -0.039 0.000 0.224 60 G C -0.944 173.937 174.900 -0.032 0.000 1.079 60 G CA 0.014 45.094 45.100 -0.033 0.000 0.807 60 G HN -0.297 7.779 8.290 -0.070 0.171 0.492 61 K N -0.921 119.471 120.400 -0.013 0.000 2.343 61 K HA -0.117 4.165 4.320 -0.063 0.000 0.250 61 K C -0.167 176.417 176.600 -0.026 0.000 1.087 61 K CA 0.573 56.842 56.287 -0.029 0.000 0.853 61 K CB 0.749 33.242 32.500 -0.011 0.000 1.133 61 K HN -0.273 8.058 8.250 0.020 -0.069 0.509 62 D N -1.592 118.781 120.400 -0.044 0.000 1.984 62 D HA -0.191 4.421 4.640 -0.048 0.000 0.251 62 D C -0.014 176.252 176.300 -0.057 0.000 1.191 62 D CA 1.758 55.729 54.000 -0.049 0.000 0.951 62 D CB 0.615 41.383 40.800 -0.055 0.000 1.290 62 D HN 0.047 8.378 8.370 -0.066 0.000 0.517 63 R N -2.928 117.511 120.500 -0.102 0.000 3.018 63 R HA 0.210 4.461 4.340 -0.148 0.000 0.243 63 R C -2.110 173.961 176.300 -0.382 0.000 1.315 63 R CA -1.970 54.027 56.100 -0.172 0.000 1.039 63 R CB 1.162 31.393 30.300 -0.116 0.000 1.315 63 R HN -0.073 8.142 8.270 -0.092 0.000 0.492 64 P HA -0.299 2.810 4.420 -2.185 0.000 0.191 64 P C -1.147 175.925 177.300 -0.381 0.000 0.942 64 P CA 0.919 63.521 63.100 -0.831 0.000 1.312 64 P CB -1.211 30.317 31.700 -0.287 0.000 1.452 65 T N 1.568 115.950 114.554 -0.287 0.000 2.914 65 T HA 0.058 4.402 4.350 -0.010 0.000 0.313 65 T C 0.488 175.290 174.700 0.170 0.000 1.137 65 T CA -1.563 60.557 62.100 0.033 0.000 0.946 65 T CB 2.267 71.178 68.868 0.071 0.000 1.558 65 T HN 0.004 7.890 8.240 -0.581 0.005 0.565 66 N N -1.267 117.515 118.700 0.136 0.000 2.612 66 N HA 0.011 4.829 4.740 0.130 0.000 0.224 66 N C -1.511 174.071 175.510 0.121 0.000 1.051 66 N CA 1.220 54.344 53.050 0.124 0.000 0.889 66 N CB 2.043 40.585 38.487 0.091 0.000 1.449 66 N HN 0.063 8.510 8.380 0.111 0.000 0.442 67 V N 0.285 120.267 119.914 0.114 0.000 2.538 67 V HA 0.318 4.473 4.120 0.058 0.000 0.265 67 V C -1.517 174.606 176.094 0.049 0.000 0.977 67 V CA -0.759 61.579 62.300 0.064 0.000 0.852 67 V CB -0.189 31.634 31.823 0.000 0.000 1.058 67 V HN -0.557 7.702 8.190 0.115 0.000 0.462 68 L N 6.933 128.200 121.223 0.072 0.000 2.292 68 L HA 0.297 4.632 4.340 -0.007 0.000 0.284 68 L C -1.914 174.978 176.870 0.038 0.000 1.065 68 L CA -0.127 54.732 54.840 0.030 0.000 0.806 68 L CB 2.435 44.529 42.059 0.058 0.000 1.175 68 L HN -0.051 8.240 8.230 0.101 0.000 0.431 69 S N 3.575 119.249 115.700 -0.043 0.000 2.632 69 S HA 0.188 4.810 4.470 0.254 0.000 0.289 69 S C -1.979 172.575 174.600 -0.077 0.000 1.115 69 S CA -1.049 57.194 58.200 0.072 0.000 0.889 69 S CB 3.073 66.320 63.200 0.079 0.000 1.116 69 S HN 0.130 8.380 8.310 -0.101 0.000 0.486 70 F N 0.681 120.689 119.950 0.097 0.000 2.366 70 F HA 0.380 4.978 4.527 0.117 0.000 0.366 70 F C -2.010 173.870 175.800 0.134 0.000 1.096 70 F CA -3.066 55.006 58.000 0.120 0.000 1.060 70 F CB 1.202 40.287 39.000 0.141 0.000 1.282 70 F HN 0.318 8.780 8.300 0.510 0.144 0.450 71 P HA 0.031 4.634 4.420 0.305 0.000 0.274 71 P C -0.877 176.627 177.300 0.341 0.000 1.237 71 P CA -0.806 62.466 63.100 0.287 0.000 0.793 71 P CB 0.839 32.673 31.700 0.223 0.000 0.977 72 F N -1.093 118.938 119.950 0.136 0.000 2.348 72 F HA 0.192 4.784 4.527 0.108 0.000 0.308 72 F C -0.512 175.342 175.800 0.090 0.000 1.175 72 F CA -2.202 55.861 58.000 0.106 0.000 1.080 72 F CB 0.246 39.295 39.000 0.082 0.000 1.341 72 F HN -0.318 8.454 8.300 0.787 0.000 0.518 73 E N 0.721 120.568 120.200 -0.588 0.000 2.498 73 E HA -0.203 3.941 4.350 -0.343 0.000 0.252 73 E C -1.024 174.911 176.600 -1.108 0.000 1.025 73 E CA 0.740 56.756 56.400 -0.639 0.000 0.938 73 E CB 0.072 29.557 29.700 -0.357 0.000 0.947 73 E HN 0.117 8.353 8.360 -0.207 0.000 0.478 74 C N 7.622 126.591 119.300 -0.551 0.000 2.364 74 C HA 0.330 4.490 4.460 -0.500 0.000 0.405 74 C C -0.664 174.217 174.990 -0.181 0.000 1.122 74 C CA -4.485 54.323 59.018 -0.349 0.000 1.601 74 C CB -0.512 27.176 27.740 -0.086 0.000 1.601 74 C HN 0.254 8.283 8.230 -0.336 0.000 0.509 75 P HA -0.083 4.286 4.420 -0.086 0.000 0.202 75 P C -0.346 176.925 177.300 -0.048 0.000 1.189 75 P CA 1.690 64.731 63.100 -0.098 0.000 0.921 75 P CB 0.365 32.011 31.700 -0.089 0.000 0.756 76 D N -3.136 117.247 120.400 -0.030 0.000 3.137 76 D HA 0.024 4.666 4.640 0.004 0.000 0.236 76 D C 0.241 176.559 176.300 0.029 0.000 1.557 76 D CA 0.426 54.426 54.000 0.001 0.000 1.305 76 D CB 0.464 41.265 40.800 0.002 0.000 1.065 76 D HN 0.037 8.383 8.370 -0.040 0.000 0.290 77 E N -2.406 117.810 120.200 0.027 0.000 2.564 77 E HA 0.021 4.428 4.350 0.095 0.000 0.203 77 E C -1.087 175.523 176.600 0.017 0.000 0.867 77 E CA 0.187 56.618 56.400 0.052 0.000 1.250 77 E CB 2.118 31.848 29.700 0.050 0.000 1.215 77 E HN -0.195 8.173 8.360 0.013 0.000 0.566 78 V N -1.900 118.021 119.914 0.013 0.000 4.760 78 V HA -0.266 3.870 4.120 0.026 0.000 0.419 78 V C -1.472 174.624 176.094 0.003 0.000 0.686 78 V CA 0.050 62.362 62.300 0.021 0.000 1.642 78 V CB -1.143 30.721 31.823 0.069 0.000 1.965 78 V HN -0.449 7.749 8.190 0.014 0.000 0.481 79 E N 7.033 127.243 120.200 0.016 0.000 1.996 79 E HA 0.038 4.402 4.350 0.024 0.000 0.280 79 E C -0.868 175.735 176.600 0.006 0.000 1.092 79 E CA -0.043 56.367 56.400 0.017 0.000 0.862 79 E CB -0.045 29.669 29.700 0.025 0.000 1.066 79 E HN 0.343 8.715 8.360 0.021 0.000 0.396 80 L N -0.800 120.415 121.223 -0.014 0.000 2.643 80 L HA 0.538 4.869 4.340 -0.014 0.000 0.256 80 L C -3.462 173.374 176.870 -0.057 0.000 0.931 80 L CA -3.105 51.716 54.840 -0.032 0.000 0.895 80 L CB 1.566 43.602 42.059 -0.038 0.000 1.430 80 L HN -0.656 7.562 8.230 -0.019 0.000 0.419 81 P HA 0.035 4.754 4.420 0.001 -0.298 0.271 81 P C -1.002 176.236 177.300 -0.104 0.000 1.226 81 P CA -0.044 63.033 63.100 -0.038 0.000 0.765 81 P CB -0.203 31.482 31.700 -0.025 0.000 0.835 82 L N -0.837 120.316 121.223 -0.116 0.000 2.866 82 L HA 0.278 4.516 4.340 -0.170 0.000 0.262 82 L C -2.011 174.756 176.870 -0.172 0.000 0.986 82 L CA -0.058 54.658 54.840 -0.206 0.000 0.925 82 L CB 1.456 43.242 42.059 -0.455 0.000 1.484 82 L HN -0.394 7.935 8.230 -0.038 -0.121 0.414 83 L N -0.501 120.604 121.223 -0.197 0.000 2.902 83 L HA 0.409 4.543 4.340 -0.342 0.000 0.254 83 L C 0.645 177.451 176.870 -0.106 0.000 1.115 83 L CA -0.818 53.869 54.840 -0.255 0.000 0.947 83 L CB 2.670 44.531 42.059 -0.330 0.000 1.369 83 L HN 0.723 8.847 8.230 -0.176 0.000 0.538 84 G N -0.409 108.358 108.800 -0.054 0.000 2.660 84 G HA2 -0.381 3.632 3.960 0.088 0.000 0.215 84 G HA3 -0.381 3.659 3.960 0.133 0.000 0.215 84 G C -2.554 172.390 174.900 0.073 0.000 1.345 84 G CA -0.546 44.593 45.100 0.065 0.000 0.877 84 G HN -0.792 7.438 8.290 -0.100 0.000 0.549 85 D N -0.688 119.803 120.400 0.152 0.000 2.229 85 D HA 0.357 5.153 4.640 0.087 -0.103 0.249 85 D C -0.518 175.906 176.300 0.206 0.000 1.027 85 D CA -0.052 54.041 54.000 0.155 0.000 0.923 85 D CB 2.364 43.261 40.800 0.161 0.000 1.174 85 D HN -0.002 8.409 8.370 0.214 0.088 0.443 86 L N 0.346 121.671 121.223 0.171 0.000 2.393 86 L HA 0.175 4.633 4.340 0.196 0.000 0.260 86 L C -1.947 175.032 176.870 0.181 0.000 1.002 86 L CA -0.393 54.547 54.840 0.167 0.000 0.818 86 L CB 4.686 46.799 42.059 0.090 0.000 1.369 86 L HN -0.628 7.602 8.230 0.123 0.074 0.412 87 V N 2.750 122.772 119.914 0.181 0.000 2.559 87 V HA 0.601 5.042 4.120 0.129 -0.244 0.289 87 V C -1.770 174.380 176.094 0.094 0.000 1.036 87 V CA -0.774 61.622 62.300 0.160 0.000 0.887 87 V CB 1.296 33.278 31.823 0.265 0.000 1.022 87 V HN 0.420 8.629 8.190 0.153 0.072 0.442 88 I N 2.362 122.965 120.570 0.056 0.000 3.042 88 I HA 0.573 4.760 4.170 0.029 0.000 0.310 88 I C -1.226 174.888 176.117 -0.005 0.000 1.117 88 I CA -2.244 59.066 61.300 0.016 0.000 1.003 88 I CB 4.899 42.883 38.000 -0.025 0.000 1.228 88 I HN 0.865 9.117 8.210 0.071 0.000 0.443 89 C N 1.475 120.764 119.300 -0.018 0.000 2.401 89 C HA 0.533 5.249 4.460 -0.027 -0.272 0.365 89 C C 1.295 176.257 174.990 -0.047 0.000 1.250 89 C CA -0.380 58.621 59.018 -0.028 0.000 2.131 89 C CB 1.935 29.664 27.740 -0.019 0.000 2.445 89 C HN 0.138 8.367 8.230 -0.001 0.000 0.550 90 R N 4.331 124.813 120.500 -0.030 0.000 2.100 90 R HA -0.243 4.031 4.340 -0.111 0.000 0.220 90 R C 1.544 177.820 176.300 -0.040 0.000 1.091 90 R CA 2.988 59.063 56.100 -0.042 0.000 0.986 90 R CB -0.813 29.505 30.300 0.031 0.000 0.888 90 R HN 0.550 8.814 8.270 -0.010 0.000 0.444 91 Q N -2.184 117.603 119.800 -0.021 0.000 2.181 91 Q HA -0.272 4.056 4.340 -0.020 0.000 0.205 91 Q C 1.882 177.864 176.000 -0.029 0.000 0.980 91 Q CA 2.952 58.743 55.803 -0.019 0.000 0.862 91 Q CB -1.036 27.698 28.738 -0.008 0.000 0.905 91 Q HN 0.174 8.436 8.270 -0.013 0.000 0.429 92 V N -0.850 119.049 119.914 -0.025 0.000 2.256 92 V HA -0.170 3.939 4.120 -0.019 0.000 0.240 92 V C 1.744 177.821 176.094 -0.029 0.000 1.036 92 V CA 3.065 65.354 62.300 -0.019 0.000 1.008 92 V CB -0.764 31.060 31.823 0.002 0.000 0.648 92 V HN -0.594 7.563 8.190 -0.022 0.020 0.453 93 V N -1.808 118.091 119.914 -0.025 0.000 2.343 93 V HA -0.401 3.844 4.120 0.209 0.000 0.247 93 V C 1.542 177.547 176.094 -0.148 0.000 1.051 93 V CA 3.982 66.305 62.300 0.038 0.000 1.036 93 V CB -0.935 30.872 31.823 -0.028 0.000 0.654 93 V HN -0.608 7.558 8.190 -0.040 0.000 0.451 94 E N 0.290 120.400 120.200 -0.149 0.000 2.110 94 E HA -0.453 3.775 4.350 -0.204 0.000 0.193 94 E C 1.767 178.266 176.600 -0.169 0.000 0.988 94 E CA 3.877 60.181 56.400 -0.159 0.000 0.804 94 E CB -0.293 29.364 29.700 -0.072 0.000 0.745 94 E HN 0.408 8.591 8.360 -0.114 0.109 0.458 95 R N -0.875 119.550 120.500 -0.124 0.000 2.073 95 R HA -0.232 4.052 4.340 -0.094 0.000 0.229 95 R C 2.369 178.586 176.300 -0.140 0.000 1.120 95 R CA 2.727 58.765 56.100 -0.104 0.000 0.967 95 R CB -0.300 29.963 30.300 -0.063 0.000 0.862 95 R HN -0.634 7.466 8.270 -0.098 0.111 0.436 96 E N -0.264 119.838 120.200 -0.163 0.000 2.031 96 E HA -0.311 3.978 4.350 -0.101 0.000 0.193 96 E C 2.234 178.637 176.600 -0.329 0.000 0.994 96 E CA 3.331 59.632 56.400 -0.165 0.000 0.800 96 E CB 0.070 29.753 29.700 -0.029 0.000 0.752 96 E HN 0.072 8.274 8.360 -0.135 0.077 0.447 97 A N -1.297 121.073 122.820 -0.749 0.000 1.898 97 A HA -0.229 3.720 4.320 -0.617 0.000 0.216 97 A C 1.684 179.082 177.584 -0.310 0.000 1.181 97 A CA 3.218 54.805 52.037 -0.749 0.000 0.620 97 A CB -0.598 17.789 19.000 -1.021 0.000 0.819 97 A HN 0.580 8.103 8.150 -0.858 0.112 0.442 98 S N -2.504 113.050 115.700 -0.243 0.000 2.382 98 S HA -0.357 4.043 4.470 -0.116 0.000 0.228 98 S C 2.103 176.641 174.600 -0.103 0.000 1.027 98 S CA 3.027 61.146 58.200 -0.135 0.000 0.991 98 S CB 0.000 63.138 63.200 -0.104 0.000 0.823 98 S HN -0.017 8.007 8.310 -0.282 0.117 0.469 99 E N 0.355 120.489 120.200 -0.110 0.000 2.112 99 E HA -0.202 4.113 4.350 -0.059 0.000 0.190 99 E C 1.689 178.251 176.600 -0.063 0.000 0.979 99 E CA 1.960 58.315 56.400 -0.074 0.000 0.814 99 E CB -0.080 29.579 29.700 -0.067 0.000 0.762 99 E HN -0.111 7.958 8.360 -0.141 0.207 0.460 100 Q N -2.665 117.087 119.800 -0.080 0.000 2.291 100 Q HA -0.179 4.142 4.340 -0.032 0.000 0.206 100 Q C -0.225 175.755 176.000 -0.033 0.000 0.976 100 Q CA 1.970 57.745 55.803 -0.048 0.000 0.875 100 Q CB 0.665 29.378 28.738 -0.042 0.000 0.927 100 Q HN -0.184 7.828 8.270 -0.120 0.186 0.450 101 E N -6.235 113.937 120.200 -0.047 0.000 2.759 101 E HA -0.336 3.991 4.350 -0.039 0.000 0.280 101 E C -1.145 175.444 176.600 -0.019 0.000 1.009 101 E CA 0.972 57.353 56.400 -0.031 0.000 0.849 101 E CB -1.506 28.183 29.700 -0.018 0.000 1.415 101 E HN -0.568 7.598 8.360 -0.069 0.153 0.412 102 K N -1.343 119.042 120.400 -0.025 0.000 2.395 102 K HA 0.422 4.748 4.320 0.009 0.000 0.247 102 K C -2.718 173.870 176.600 -0.020 0.000 0.973 102 K CA -2.916 53.371 56.287 0.000 0.000 0.828 102 K CB 1.295 33.819 32.500 0.039 0.000 1.272 102 K HN -0.680 7.540 8.250 -0.051 0.000 0.439 103 P HA -0.003 4.374 4.420 -0.072 0.000 0.261 103 P C 0.401 177.676 177.300 -0.041 0.000 1.183 103 P CA -0.150 62.914 63.100 -0.060 0.000 0.761 103 P CB 0.661 32.299 31.700 -0.104 0.000 0.785 104 L N 4.222 125.427 121.223 -0.030 0.000 2.261 104 L HA -0.394 3.973 4.340 0.045 0.000 0.216 104 L C 1.523 178.488 176.870 0.158 0.000 1.114 104 L CA 2.631 57.512 54.840 0.069 0.000 0.777 104 L CB 0.087 42.217 42.059 0.118 0.000 0.910 104 L HN 0.336 8.537 8.230 -0.048 0.000 0.440 105 M N -2.126 117.432 119.600 -0.070 0.000 2.082 105 M HA -0.520 3.886 4.480 -0.124 0.000 0.258 105 M C 2.055 178.434 176.300 0.131 0.000 1.069 105 M CA 3.052 58.197 55.300 -0.259 0.000 1.102 105 M CB -1.688 30.167 32.600 -1.241 0.000 1.336 105 M HN -0.024 8.119 8.290 -0.169 0.045 0.404 106 A N -1.665 121.165 122.820 0.017 0.000 1.897 106 A HA -0.325 3.350 4.320 -1.074 0.000 0.215 106 A C 1.545 178.908 177.584 -0.370 0.000 1.181 106 A CA 2.719 54.441 52.037 -0.525 0.000 0.620 106 A CB -0.706 18.075 19.000 -0.365 0.000 0.821 106 A HN -0.430 7.705 8.150 -0.026 0.000 0.443 107 H N 0.705 119.696 119.070 -0.132 0.000 2.390 107 H HA -0.316 4.204 4.556 -0.061 0.000 0.298 107 H C 2.191 177.490 175.328 -0.048 0.000 1.106 107 H CA 4.895 60.893 56.048 -0.084 0.000 1.297 107 H CB -0.064 29.631 29.762 -0.112 0.000 1.375 107 H HN -0.680 7.600 8.280 0.105 0.063 0.509 108 W N -1.146 120.178 121.300 0.040 0.000 2.381 108 W HA -0.420 4.277 4.660 0.062 0.000 0.321 108 W C 1.707 178.241 176.519 0.026 0.000 1.196 108 W CA 4.403 61.776 57.345 0.047 0.000 1.304 108 W CB -0.170 29.336 29.460 0.076 0.000 1.166 108 W HN 0.115 8.488 8.180 0.347 0.016 0.473 109 A N -2.394 120.598 122.820 0.288 0.000 1.948 109 A HA -0.496 3.971 4.320 0.244 0.000 0.220 109 A C 1.741 179.419 177.584 0.157 0.000 1.177 109 A CA 3.047 55.205 52.037 0.200 0.000 0.636 109 A CB -0.750 18.381 19.000 0.218 0.000 0.815 109 A HN -0.363 7.976 8.150 0.316 0.000 0.449 110 H N -0.724 118.328 119.070 -0.030 0.000 2.317 110 H HA -0.009 4.634 4.556 0.144 0.000 0.304 110 H C 2.763 178.095 175.328 0.007 0.000 1.067 110 H CA 2.480 58.534 56.048 0.011 0.000 1.352 110 H CB 1.067 30.775 29.762 -0.089 0.000 1.398 110 H HN 0.029 8.259 8.280 -0.053 0.018 0.510 111 M N -0.298 119.313 119.600 0.019 0.000 2.213 111 M HA -0.322 4.290 4.480 0.221 0.000 0.263 111 M C 1.804 178.155 176.300 0.086 0.000 1.062 111 M CA 3.605 58.932 55.300 0.045 0.000 1.105 111 M CB -0.407 32.042 32.600 -0.252 0.000 1.385 111 M HN 0.433 8.536 8.290 -0.094 0.131 0.417 112 V N -4.915 115.048 119.914 0.083 0.000 2.307 112 V HA -0.282 3.848 4.120 0.017 0.000 0.245 112 V C 1.669 177.792 176.094 0.048 0.000 1.045 112 V CA 3.498 65.842 62.300 0.073 0.000 1.024 112 V CB -1.303 30.622 31.823 0.170 0.000 0.651 112 V HN 0.403 8.647 8.190 0.120 0.018 0.449 113 V N 0.722 120.715 119.914 0.131 0.000 2.515 113 V HA -0.388 3.820 4.120 0.147 0.000 0.250 113 V C 1.896 178.118 176.094 0.213 0.000 1.058 113 V CA 3.839 66.251 62.300 0.187 0.000 1.064 113 V CB -1.633 30.340 31.823 0.249 0.000 0.675 113 V HN -0.568 7.722 8.190 0.166 0.000 0.461 114 H N 0.469 119.620 119.070 0.134 0.000 2.353 114 H HA -0.259 4.357 4.556 0.100 0.000 0.300 114 H C 2.007 177.392 175.328 0.096 0.000 1.090 114 H CA 3.371 59.464 56.048 0.076 0.000 1.327 114 H CB -0.626 29.114 29.762 -0.038 0.000 1.383 114 H HN 0.349 8.672 8.280 0.252 0.108 0.508 115 G N -3.273 105.103 108.800 -0.707 0.000 2.683 115 G HA2 -0.056 3.641 3.960 -0.438 0.000 0.213 115 G HA3 -0.056 3.556 3.960 -0.580 0.000 0.213 115 G C 0.884 175.731 174.900 -0.089 0.000 1.142 115 G CA 0.495 45.291 45.100 -0.506 0.000 0.793 115 G HN -0.423 7.499 8.290 -0.613 0.000 0.534 116 S N 1.982 117.688 115.700 0.010 0.000 2.357 116 S HA -0.210 4.293 4.470 0.055 0.000 0.221 116 S C 1.140 175.911 174.600 0.285 0.000 1.031 116 S CA 3.477 61.737 58.200 0.101 0.000 0.982 116 S CB 0.265 63.464 63.200 -0.002 0.000 0.853 116 S HN -0.445 7.702 8.310 -0.004 0.160 0.458 117 L N 0.580 122.027 121.223 0.374 0.000 2.084 117 L HA -0.200 4.365 4.340 0.283 -0.056 0.202 117 L C 1.134 178.090 176.870 0.143 0.000 1.074 117 L CA 2.441 57.431 54.840 0.250 0.000 0.757 117 L CB 0.349 42.465 42.059 0.094 0.000 0.918 117 L HN -0.447 7.992 8.230 0.349 0.000 0.444 118 H N -0.992 118.122 119.070 0.074 0.000 2.492 118 H HA -0.269 4.312 4.556 0.041 0.000 0.296 118 H C 0.998 176.347 175.328 0.035 0.000 1.095 118 H CA 2.999 59.080 56.048 0.056 0.000 1.281 118 H CB 0.454 30.278 29.762 0.103 0.000 1.374 118 H HN -0.605 7.852 8.280 0.294 0.000 0.545 119 L N -2.763 118.517 121.223 0.096 0.000 2.253 119 L HA -0.079 4.274 4.340 0.022 0.000 0.205 119 L C 0.010 176.892 176.870 0.021 0.000 1.078 119 L CA 2.023 56.887 54.840 0.041 0.000 0.805 119 L CB 0.230 42.315 42.059 0.042 0.000 0.963 119 L HN -0.319 7.936 8.230 0.133 0.054 0.459 120 L N -8.830 112.429 121.223 0.059 0.000 2.815 120 L HA 0.218 4.579 4.340 0.035 0.000 0.241 120 L C 0.154 177.038 176.870 0.024 0.000 1.047 120 L CA 0.090 54.969 54.840 0.064 0.000 0.939 120 L CB 1.738 43.880 42.059 0.139 0.000 1.490 120 L HN -0.902 7.305 8.230 0.097 0.081 0.510 121 G N -0.047 108.769 108.800 0.027 0.000 2.643 121 G HA2 -0.245 3.650 3.960 -0.153 0.000 0.280 121 G HA3 -0.245 3.639 3.960 -0.126 0.000 0.280 121 G C -0.159 174.602 174.900 -0.233 0.000 1.120 121 G CA 0.114 45.147 45.100 -0.112 0.000 1.165 121 G HN -0.814 7.471 8.290 0.111 0.071 0.540 122 Y N -4.984 115.210 120.300 -0.177 0.000 2.621 122 Y HA -0.186 4.032 4.550 -0.553 0.000 0.330 122 Y C -0.518 175.217 175.900 -0.276 0.000 1.219 122 Y CA -2.353 55.581 58.100 -0.276 0.000 1.286 122 Y CB -0.878 37.553 38.460 -0.048 0.000 1.053 122 Y HN -0.480 7.891 8.280 0.151 0.000 0.498 123 D N -0.775 119.324 120.400 -0.501 0.000 2.870 123 D HA -0.087 4.402 4.640 -0.251 0.000 0.241 123 D C -0.649 175.557 176.300 -0.156 0.000 1.234 123 D CA -0.736 53.077 54.000 -0.312 0.000 0.844 123 D CB -1.556 39.068 40.800 -0.294 0.000 1.051 123 D HN -0.195 7.736 8.370 -0.496 0.142 0.469 124 H N -1.660 117.426 119.070 0.028 0.000 2.598 124 H HA -0.368 4.222 4.556 0.056 0.000 0.396 124 H C 0.650 175.997 175.328 0.033 0.000 1.954 124 H CA 1.692 57.774 56.048 0.057 0.000 1.449 124 H CB 0.213 30.040 29.762 0.107 0.000 1.554 124 H HN -0.663 7.314 8.280 -0.315 0.114 0.554 125 I N -3.657 117.033 120.570 0.199 0.000 3.383 125 I HA -0.357 3.862 4.170 0.082 0.000 0.345 125 I C 0.551 176.710 176.117 0.070 0.000 1.097 125 I CA 1.384 62.746 61.300 0.103 0.000 1.828 125 I CB -0.220 37.831 38.000 0.086 0.000 1.148 125 I HN 0.263 8.627 8.210 0.257 0.000 0.428 126 E N 2.242 122.468 120.200 0.042 0.000 2.463 126 E HA -0.273 4.091 4.350 0.023 0.000 0.191 126 E C -0.571 176.043 176.600 0.024 0.000 1.083 126 E CA 0.815 57.230 56.400 0.025 0.000 0.872 126 E CB -0.120 29.587 29.700 0.012 0.000 0.966 126 E HN 0.185 8.569 8.360 0.039 0.000 0.491 127 D N 0.203 120.621 120.400 0.030 0.000 2.255 127 D HA 0.034 4.685 4.640 0.019 0.000 0.224 127 D C 0.865 177.180 176.300 0.024 0.000 0.997 127 D CA 2.353 56.368 54.000 0.024 0.000 0.906 127 D CB 0.219 41.034 40.800 0.024 0.000 1.047 127 D HN -0.085 8.204 8.370 0.039 0.104 0.458 128 D N -0.877 119.542 120.400 0.031 0.000 2.527 128 D HA 0.082 4.735 4.640 0.022 0.000 0.249 128 D C 1.808 178.130 176.300 0.037 0.000 1.029 128 D CA 2.184 56.201 54.000 0.029 0.000 0.951 128 D CB 0.586 41.401 40.800 0.026 0.000 1.093 128 D HN -0.676 7.874 8.370 0.036 -0.159 0.464 129 E N 0.373 120.606 120.200 0.054 0.000 2.219 129 E HA -0.328 4.062 4.350 0.067 0.000 0.198 129 E C 1.606 178.244 176.600 0.063 0.000 0.998 129 E CA 2.490 58.935 56.400 0.075 0.000 0.818 129 E CB -0.497 29.279 29.700 0.126 0.000 0.741 129 E HN 0.249 8.643 8.360 0.057 0.000 0.477 130 A N -0.454 122.393 122.820 0.045 0.000 1.837 130 A HA -0.438 3.892 4.320 0.017 0.000 0.216 130 A C 1.582 179.179 177.584 0.021 0.000 1.210 130 A CA 3.879 55.931 52.037 0.025 0.000 0.632 130 A CB -1.184 17.826 19.000 0.017 0.000 0.843 130 A HN -0.418 7.715 8.150 0.046 0.044 0.448 131 E N 0.210 120.421 120.200 0.018 0.000 2.070 131 E HA -0.423 3.932 4.350 0.009 0.000 0.197 131 E C 2.491 179.103 176.600 0.020 0.000 1.004 131 E CA 2.794 59.203 56.400 0.014 0.000 0.805 131 E CB -1.024 28.682 29.700 0.010 0.000 0.744 131 E HN 0.217 8.588 8.360 0.018 0.000 0.451 132 E N 0.074 120.291 120.200 0.028 0.000 2.012 132 E HA -0.383 3.980 4.350 0.023 0.000 0.197 132 E C 2.529 179.161 176.600 0.054 0.000 1.007 132 E CA 2.798 59.218 56.400 0.034 0.000 0.816 132 E CB -0.181 29.541 29.700 0.036 0.000 0.762 132 E HN -0.747 7.630 8.360 0.028 0.000 0.451 133 M N 0.461 120.109 119.600 0.080 0.000 2.065 133 M HA -0.478 4.110 4.480 0.181 0.000 0.259 133 M C 1.807 178.165 176.300 0.096 0.000 1.069 133 M CA 2.908 58.289 55.300 0.135 0.000 1.110 133 M CB -0.427 32.259 32.600 0.144 0.000 1.328 133 M HN 0.378 8.591 8.290 0.074 0.121 0.405 134 E N -0.692 119.531 120.200 0.040 0.000 2.048 134 E HA -0.436 3.918 4.350 0.007 0.000 0.202 134 E C 2.890 179.504 176.600 0.023 0.000 1.021 134 E CA 3.255 59.665 56.400 0.017 0.000 0.825 134 E CB -0.379 29.323 29.700 0.002 0.000 0.756 134 E HN 0.696 8.965 8.360 0.031 0.109 0.454 135 S N -0.296 115.414 115.700 0.018 0.000 2.382 135 S HA -0.266 4.200 4.470 -0.006 0.000 0.228 135 S C 2.018 176.623 174.600 0.010 0.000 1.027 135 S CA 3.280 61.483 58.200 0.005 0.000 0.991 135 S CB -0.130 63.070 63.200 -0.000 0.000 0.823 135 S HN 0.103 8.310 8.310 0.019 0.115 0.469 136 L N 2.694 123.938 121.223 0.035 0.000 1.955 136 L HA -0.381 3.967 4.340 0.014 0.000 0.213 136 L C 1.425 178.326 176.870 0.051 0.000 1.072 136 L CA 3.730 58.595 54.840 0.042 0.000 0.755 136 L CB -0.774 41.330 42.059 0.073 0.000 0.888 136 L HN 0.305 8.352 8.230 0.047 0.211 0.432 137 E N -2.169 118.094 120.200 0.106 0.000 2.150 137 E HA -0.327 4.095 4.350 0.119 0.000 0.193 137 E C 2.532 179.156 176.600 0.039 0.000 0.985 137 E CA 3.270 59.740 56.400 0.117 0.000 0.814 137 E CB 0.096 29.914 29.700 0.197 0.000 0.752 137 E HN 0.399 8.842 8.360 0.138 0.000 0.466 138 T N 3.142 117.703 114.554 0.013 0.000 2.821 138 T HA -0.227 4.105 4.350 -0.029 0.000 0.267 138 T C 2.168 176.822 174.700 -0.076 0.000 1.046 138 T CA 4.797 66.880 62.100 -0.029 0.000 1.139 138 T CB -0.595 68.260 68.868 -0.022 0.000 0.871 138 T HN 0.251 8.313 8.240 0.027 0.194 0.454 139 Q N 1.327 121.087 119.800 -0.068 0.000 2.119 139 Q HA -0.293 3.977 4.340 -0.118 0.000 0.201 139 Q C 2.413 178.317 176.000 -0.159 0.000 0.972 139 Q CA 3.902 59.642 55.803 -0.105 0.000 0.847 139 Q CB 0.001 28.692 28.738 -0.077 0.000 0.903 139 Q HN 0.228 8.370 8.270 -0.037 0.106 0.433 140 I N -4.150 116.350 120.570 -0.117 0.000 2.480 140 I HA -0.140 3.922 4.170 -0.181 0.000 0.251 140 I C 0.903 176.903 176.117 -0.195 0.000 1.124 140 I CA 2.148 63.379 61.300 -0.116 0.000 1.444 140 I CB 0.131 38.134 38.000 0.006 0.000 1.098 140 I HN -0.752 7.420 8.210 -0.064 0.000 0.428 141 M N -3.073 116.423 119.600 -0.174 0.000 2.276 141 M HA -0.073 4.238 4.480 -0.281 0.000 0.262 141 M C 1.774 177.807 176.300 -0.445 0.000 1.098 141 M CA 1.210 56.342 55.300 -0.280 0.000 1.167 141 M CB 0.265 32.807 32.600 -0.098 0.000 1.337 141 M HN -0.157 7.968 8.290 -0.098 0.106 0.446 142 Q N -1.785 117.856 119.800 -0.265 0.000 2.165 142 Q HA -0.138 4.072 4.340 -0.216 0.000 0.197 142 Q C 2.105 177.943 176.000 -0.270 0.000 0.952 142 Q CA 1.833 57.503 55.803 -0.223 0.000 0.848 142 Q CB 0.321 28.990 28.738 -0.115 0.000 0.931 142 Q HN 0.080 8.120 8.270 -0.182 0.120 0.470 143 G N -1.050 107.595 108.800 -0.259 0.000 2.517 143 G HA2 -0.238 3.616 3.960 -0.176 0.000 0.222 143 G HA3 -0.238 3.785 3.960 -0.228 -0.200 0.222 143 G C 0.424 175.136 174.900 -0.313 0.000 1.109 143 G CA 1.963 46.918 45.100 -0.241 0.000 0.746 143 G HN 0.206 8.175 8.290 -0.227 0.185 0.576 144 L N -2.226 118.688 121.223 -0.514 0.000 2.470 144 L HA 0.127 4.251 4.340 -0.359 0.000 0.219 144 L C 0.510 177.112 176.870 -0.446 0.000 1.071 144 L CA -0.452 54.053 54.840 -0.558 0.000 0.850 144 L CB 1.063 42.579 42.059 -0.906 0.000 1.040 144 L HN -0.792 7.020 8.230 -0.634 0.038 0.475 145 G N -1.159 107.334 108.800 -0.512 0.000 2.385 145 G HA2 -0.366 3.475 3.960 -0.198 0.000 0.294 145 G HA3 -0.366 3.516 3.960 -0.129 0.000 0.294 145 G C 0.247 175.095 174.900 -0.086 0.000 1.070 145 G CA 0.363 45.320 45.100 -0.239 0.000 1.172 145 G HN -0.816 6.994 8.290 -0.628 0.103 0.516 146 F N 0.000 119.995 119.950 0.075 0.000 2.286 146 F HA 0.000 4.638 4.527 0.185 0.000 0.279 146 F CA 0.000 58.099 58.000 0.166 0.000 1.383 146 F CB 0.000 39.119 39.000 0.198 0.000 1.145 146 F HN 0.000 7.971 8.300 -0.548 0.000 0.574