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 2kbo_1_A DATA FIRST_RESID 1 DATA SEQUENCE HMLRHSMDPP TFTFNFNNEP WVRGRHETYL CYEVERMHND TWVLLNQRRG DATA SEQUENCE FLCNQAPHKH GFLEGRHAEL CFLDVIPFWK LDLDQDYRVT CFTSWSPCFS DATA SEQUENCE CAQEMAKFIS KNKHVSLCIF TARIYDDQGR CQEGLRTLAE AGAKISIMTY DATA SEQUENCE SEFKHCWDTF VDHQGCPFQP WDGLDEHSQD LSGRLRAILQ NQEN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 4.553 4.556 -0.005 0.000 0.296 1 H C 0.000 175.317 175.328 -0.019 0.000 0.993 1 H CA 0.000 56.044 56.048 -0.007 0.000 1.023 1 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 2 M N 2.595 122.127 119.600 -0.113 0.000 2.243 2 M HA 0.092 4.545 4.480 -0.045 0.000 0.309 2 M C -1.274 174.989 176.300 -0.062 0.000 1.050 2 M CA 0.141 55.383 55.300 -0.096 0.000 1.139 2 M CB -0.126 32.372 32.600 -0.171 0.000 1.457 2 M HN -0.040 8.131 8.290 -0.198 0.000 0.440 3 L N 0.355 121.542 121.223 -0.061 0.000 2.242 3 L HA 0.114 4.475 4.340 0.035 0.000 0.202 3 L C 0.274 177.080 176.870 -0.106 0.000 1.217 3 L CA 0.337 55.160 54.840 -0.027 0.000 1.714 3 L CB 0.094 42.154 42.059 0.001 0.000 1.482 3 L HN 0.081 8.269 8.230 -0.069 0.000 0.853 4 R N -1.649 118.790 120.500 -0.101 0.000 2.778 4 R HA 0.171 4.431 4.340 -0.133 0.000 0.277 4 R C -0.281 175.920 176.300 -0.165 0.000 0.977 4 R CA -0.737 55.304 56.100 -0.099 0.000 0.950 4 R CB 1.833 32.167 30.300 0.056 0.000 1.165 4 R HN -0.175 8.063 8.270 -0.054 0.000 0.474 5 H N -0.947 118.147 119.070 0.040 0.000 2.547 5 H HA 0.040 4.614 4.556 0.031 0.000 0.272 5 H C 0.353 175.713 175.328 0.055 0.000 0.989 5 H CA 0.568 56.637 56.048 0.034 0.000 1.214 5 H CB 0.150 29.921 29.762 0.015 0.000 1.389 5 H HN 0.305 8.696 8.280 0.186 0.000 0.577 6 S N 0.442 116.256 115.700 0.190 0.000 2.858 6 S HA -0.183 4.391 4.470 0.173 0.000 0.328 6 S C 0.833 175.525 174.600 0.153 0.000 1.149 6 S CA -0.413 57.901 58.200 0.190 0.000 1.421 6 S CB -0.611 62.770 63.200 0.301 0.000 1.461 6 S HN -0.498 7.874 8.310 0.188 0.051 0.587 7 M N 2.240 121.921 119.600 0.136 0.000 2.256 7 M HA -0.137 4.401 4.480 0.097 0.000 0.392 7 M C -0.873 175.506 176.300 0.131 0.000 1.406 7 M CA 1.234 56.604 55.300 0.116 0.000 0.861 7 M CB -0.230 32.433 32.600 0.106 0.000 1.977 7 M HN -0.206 8.160 8.290 0.136 0.007 0.492 8 D N 1.849 122.323 120.400 0.123 0.000 1.422 8 D HA 0.034 4.773 4.640 0.165 0.000 0.858 8 D C -1.615 174.784 176.300 0.165 0.000 0.332 8 D CA 1.501 55.583 54.000 0.136 0.000 1.358 8 D CB -1.275 39.578 40.800 0.089 0.000 1.120 8 D HN -0.013 8.423 8.370 0.111 0.000 0.376 9 P HA 0.091 4.615 4.420 0.173 0.000 0.215 9 P C -0.711 176.703 177.300 0.190 0.000 1.153 9 P CA 3.870 67.061 63.100 0.152 0.000 0.853 9 P CB -2.168 29.588 31.700 0.092 0.000 0.788 10 P HA 0.235 4.742 4.420 0.145 0.000 0.216 10 P C 1.919 179.327 177.300 0.180 0.000 1.154 10 P CA 2.837 66.018 63.100 0.136 0.000 0.857 10 P CB 0.292 32.032 31.700 0.065 0.000 0.787 11 T N -1.676 112.975 114.554 0.161 0.000 2.833 11 T HA -0.228 4.216 4.350 0.157 0.000 0.269 11 T C 1.946 176.791 174.700 0.242 0.000 1.054 11 T CA 3.943 66.148 62.100 0.175 0.000 1.135 11 T CB -0.278 68.666 68.868 0.127 0.000 0.869 11 T HN -0.228 8.093 8.240 0.136 0.000 0.466 12 F N 0.942 120.955 119.950 0.105 0.000 2.128 12 F HA -0.124 4.437 4.527 0.056 0.000 0.295 12 F C 0.693 176.577 175.800 0.141 0.000 1.100 12 F CA 2.962 61.019 58.000 0.095 0.000 1.260 12 F CB 0.411 39.455 39.000 0.072 0.000 1.009 12 F HN -0.232 8.261 8.300 0.363 0.025 0.476 13 T N -0.401 114.213 114.554 0.100 0.000 2.701 13 T HA -0.418 3.826 4.350 -0.176 0.000 0.263 13 T C 1.945 176.647 174.700 0.002 0.000 1.040 13 T CA 2.844 64.940 62.100 -0.007 0.000 1.147 13 T CB 0.264 69.203 68.868 0.118 0.000 0.865 13 T HN -0.781 7.631 8.240 0.286 0.000 0.426 14 F N 3.799 123.736 119.950 -0.021 0.000 2.045 14 F HA -0.441 4.076 4.527 -0.016 0.000 0.297 14 F C -0.407 175.373 175.800 -0.033 0.000 1.114 14 F CA 2.809 60.798 58.000 -0.018 0.000 1.207 14 F CB 0.479 39.478 39.000 -0.002 0.000 0.964 14 F HN 0.265 8.635 8.300 0.287 0.102 0.486 15 N N -4.334 114.371 118.700 0.008 0.000 3.585 15 N HA -0.124 4.497 4.740 -0.199 0.000 0.298 15 N C -1.807 173.753 175.510 0.084 0.000 1.392 15 N CA -0.431 52.582 53.050 -0.063 0.000 0.683 15 N CB 1.195 39.691 38.487 0.015 0.000 3.422 15 N HN -0.782 7.727 8.380 0.214 0.000 0.473 16 F N -0.456 119.466 119.950 -0.046 0.000 2.619 16 F HA 0.225 4.733 4.527 -0.030 0.000 0.382 16 F C -1.036 174.816 175.800 0.088 0.000 1.466 16 F CA -1.355 56.640 58.000 -0.008 0.000 1.137 16 F CB 0.576 39.553 39.000 -0.038 0.000 1.205 16 F HN -0.207 8.211 8.300 0.196 0.000 0.525 17 N N -0.576 118.149 118.700 0.042 0.000 2.661 17 N HA -0.461 4.318 4.740 0.065 0.000 0.249 17 N C -0.032 175.523 175.510 0.074 0.000 1.142 17 N CA 1.139 54.217 53.050 0.047 0.000 0.727 17 N CB -0.542 37.960 38.487 0.023 0.000 1.099 17 N HN 0.245 8.968 8.380 0.092 -0.289 0.558 18 N N -4.137 114.629 118.700 0.110 0.000 2.493 18 N HA -0.389 4.424 4.740 0.122 0.000 0.191 18 N C -0.596 174.922 175.510 0.014 0.000 1.041 18 N CA 1.342 54.444 53.050 0.087 0.000 0.904 18 N CB -0.505 38.026 38.487 0.073 0.000 0.948 18 N HN 0.026 8.440 8.380 0.142 0.052 0.446 19 E N -1.704 118.495 120.200 -0.002 0.000 3.355 19 E HA -0.167 4.118 4.350 -0.109 0.000 0.234 19 E C -1.893 174.662 176.600 -0.074 0.000 0.952 19 E CA -0.400 55.958 56.400 -0.070 0.000 0.928 19 E CB -1.021 28.619 29.700 -0.099 0.000 0.873 19 E HN 0.056 8.329 8.360 0.024 0.101 0.525 20 P HA -0.176 3.970 4.420 -0.456 0.000 0.277 20 P C -1.262 175.896 177.300 -0.237 0.000 1.269 20 P CA 0.139 62.940 63.100 -0.499 0.000 0.840 20 P CB 0.683 31.830 31.700 -0.922 0.000 1.156 21 W N -4.680 116.670 121.300 0.083 0.000 2.129 21 W HA 0.021 4.758 4.660 0.129 0.000 0.349 21 W C -0.059 176.459 176.519 -0.000 0.000 1.279 21 W CA -1.345 56.046 57.345 0.076 0.000 1.306 21 W CB -0.260 29.252 29.460 0.085 0.000 1.140 21 W HN -0.341 6.878 8.180 -1.601 0.000 0.613 22 V N -5.405 114.584 119.914 0.125 0.000 3.549 22 V HA -0.266 3.888 4.120 0.057 0.000 0.300 22 V C 1.107 177.143 176.094 -0.096 0.000 1.154 22 V CA 0.535 62.802 62.300 -0.056 0.000 1.268 22 V CB 0.663 32.312 31.823 -0.289 0.000 1.054 22 V HN -0.105 8.194 8.190 0.182 0.000 0.501 23 R N -1.668 118.796 120.500 -0.060 0.000 3.184 23 R HA -0.348 4.004 4.340 0.020 0.000 0.242 23 R C 0.006 176.310 176.300 0.006 0.000 0.907 23 R CA 0.824 56.915 56.100 -0.015 0.000 0.618 23 R CB -2.855 27.423 30.300 -0.037 0.000 1.016 23 R HN 0.486 8.747 8.270 -0.015 0.000 0.469 24 G N -1.205 107.571 108.800 -0.041 0.000 2.733 24 G HA2 -0.125 3.731 3.960 -0.173 0.000 0.213 24 G HA3 -0.125 3.719 3.960 -0.193 0.000 0.213 24 G C -0.935 173.949 174.900 -0.025 0.000 1.351 24 G CA 0.991 46.021 45.100 -0.117 0.000 0.853 24 G HN 0.370 8.643 8.290 -0.037 -0.005 0.590 25 R N -2.208 118.290 120.500 -0.004 0.000 2.464 25 R HA 0.113 4.472 4.340 0.031 0.000 0.282 25 R C -1.209 175.134 176.300 0.071 0.000 0.670 25 R CA 0.204 56.318 56.100 0.023 0.000 0.910 25 R CB -0.842 29.455 30.300 -0.005 0.000 1.533 25 R HN 0.040 8.311 8.270 0.001 0.000 0.536 26 H N -1.407 117.640 119.070 -0.039 0.000 2.237 26 H HA 0.041 4.579 4.556 -0.029 0.000 0.187 26 H C -1.484 173.830 175.328 -0.023 0.000 0.879 26 H CA 0.548 56.576 56.048 -0.033 0.000 0.932 26 H CB 1.092 30.828 29.762 -0.044 0.000 1.159 26 H HN -0.214 8.134 8.280 0.112 0.000 0.388 27 E N -2.455 117.755 120.200 0.018 0.000 2.389 27 E HA 0.178 4.523 4.350 -0.009 0.000 0.281 27 E C -1.196 175.412 176.600 0.014 0.000 1.072 27 E CA -0.678 55.694 56.400 -0.047 0.000 0.845 27 E CB 1.515 31.097 29.700 -0.197 0.000 1.239 27 E HN -0.725 7.663 8.360 0.048 0.000 0.434 28 T N 2.397 116.984 114.554 0.055 0.000 2.625 28 T HA -0.054 4.352 4.350 0.094 0.000 0.357 28 T C -1.084 173.759 174.700 0.239 0.000 1.053 28 T CA 1.149 63.321 62.100 0.121 0.000 1.037 28 T CB 0.752 69.700 68.868 0.134 0.000 1.123 28 T HN 0.314 8.574 8.240 0.033 0.000 0.520 29 Y N -0.306 120.032 120.300 0.063 0.000 2.276 29 Y HA 0.005 4.668 4.550 0.189 0.000 0.321 29 Y C -2.822 172.999 175.900 -0.131 0.000 1.375 29 Y CA -0.052 58.075 58.100 0.044 0.000 1.347 29 Y CB 0.946 39.410 38.460 0.007 0.000 1.287 29 Y HN 0.021 8.379 8.280 0.130 0.000 0.433 30 L N 1.302 121.898 121.223 -1.045 0.000 2.866 30 L HA 0.363 4.022 4.340 -1.135 0.000 0.262 30 L C -2.561 173.697 176.870 -1.020 0.000 0.986 30 L CA -0.231 53.926 54.840 -1.137 0.000 0.925 30 L CB 3.027 44.560 42.059 -0.876 0.000 1.484 30 L HN -0.198 7.654 8.230 -0.631 0.000 0.414 31 C N -0.873 118.066 119.300 -0.601 0.000 2.435 31 C HA 0.666 5.075 4.460 -0.086 0.000 0.333 31 C C -1.536 173.424 174.990 -0.050 0.000 1.202 31 C CA -2.067 56.792 59.018 -0.265 0.000 1.830 31 C CB 2.557 30.078 27.740 -0.365 0.000 2.326 31 C HN 0.285 8.189 8.230 -0.544 0.000 0.507 32 Y N 0.505 120.789 120.300 -0.027 0.000 2.441 32 Y HA 0.235 4.750 4.550 -0.058 0.000 0.334 32 Y C -3.010 172.941 175.900 0.084 0.000 1.061 32 Y CA -1.351 56.765 58.100 0.027 0.000 1.032 32 Y CB 3.187 41.719 38.460 0.121 0.000 1.266 32 Y HN 0.103 8.532 8.280 0.249 0.000 0.441 33 E N 5.520 125.469 120.200 -0.417 0.000 2.191 33 E HA 0.396 4.387 4.350 -0.597 0.000 0.263 33 E C -2.494 173.893 176.600 -0.356 0.000 0.881 33 E CA -1.248 54.899 56.400 -0.421 0.000 0.757 33 E CB 4.065 33.759 29.700 -0.010 0.000 1.147 33 E HN 0.830 8.937 8.360 -0.259 0.098 0.414 34 V N 3.850 123.562 119.914 -0.337 0.000 3.001 34 V HA 0.230 4.337 4.120 -0.021 0.000 0.314 34 V C -1.688 174.372 176.094 -0.056 0.000 1.099 34 V CA -3.140 59.138 62.300 -0.037 0.000 0.989 34 V CB 3.914 35.928 31.823 0.317 0.000 1.040 34 V HN 0.262 8.170 8.190 -0.470 0.000 0.434 35 E N 5.196 125.404 120.200 0.014 0.000 2.340 35 E HA 0.399 4.610 4.350 -0.231 0.000 0.273 35 E C -1.768 174.804 176.600 -0.047 0.000 0.891 35 E CA -1.899 54.444 56.400 -0.095 0.000 0.757 35 E CB 3.564 33.237 29.700 -0.044 0.000 1.231 35 E HN 0.230 8.664 8.360 0.124 0.000 0.439 36 R N 1.785 122.141 120.500 -0.240 0.000 2.407 36 R HA 0.305 4.827 4.340 0.304 0.000 0.303 36 R C -0.483 175.859 176.300 0.071 0.000 0.981 36 R CA -1.368 54.696 56.100 -0.060 0.000 0.905 36 R CB 2.051 32.143 30.300 -0.347 0.000 1.099 36 R HN 0.227 8.297 8.270 -0.334 0.000 0.459 37 M N 1.946 121.657 119.600 0.185 0.000 2.318 37 M HA 0.200 4.806 4.480 0.160 -0.031 0.347 37 M C -0.807 175.591 176.300 0.164 0.000 1.175 37 M CA -0.499 54.892 55.300 0.153 0.000 1.075 37 M CB 2.467 35.128 32.600 0.101 0.000 1.614 37 M HN 0.780 9.150 8.290 0.287 0.092 0.456 38 H N 4.088 123.198 119.070 0.068 0.000 2.725 38 H HA 0.297 4.897 4.556 0.073 0.000 0.283 38 H C -0.421 174.942 175.328 0.058 0.000 1.110 38 H CA -0.974 55.110 56.048 0.059 0.000 1.289 38 H CB 0.450 30.232 29.762 0.034 0.000 1.400 38 H HN 0.043 8.474 8.280 0.252 0.000 0.493 39 N N 8.317 126.951 118.700 -0.110 0.000 3.558 39 N HA -0.444 4.617 4.740 -0.061 -0.357 0.226 39 N C -1.169 174.387 175.510 0.077 0.000 0.886 39 N CA 1.638 54.681 53.050 -0.012 0.000 0.948 39 N CB -0.655 37.883 38.487 0.084 0.000 0.896 39 N HN 0.549 9.033 8.380 -0.175 -0.209 0.604 40 D N 0.234 120.683 120.400 0.080 0.000 2.420 40 D HA -0.118 4.542 4.640 0.034 0.000 0.233 40 D C -0.124 176.230 176.300 0.090 0.000 1.017 40 D CA 1.803 55.840 54.000 0.063 0.000 0.951 40 D CB -0.395 40.436 40.800 0.051 0.000 0.877 40 D HN 0.127 8.544 8.370 0.079 0.000 0.528 41 T N -2.011 112.637 114.554 0.156 0.000 2.864 41 T HA 0.263 4.714 4.350 0.167 0.000 0.289 41 T C -2.052 172.829 174.700 0.300 0.000 1.082 41 T CA -2.060 60.168 62.100 0.214 0.000 1.009 41 T CB 1.513 70.513 68.868 0.220 0.000 1.234 41 T HN -0.539 7.672 8.240 0.185 0.141 0.526 42 W N 2.594 123.905 121.300 0.019 0.000 2.578 42 W HA 0.259 4.931 4.660 0.020 0.000 0.346 42 W C -2.152 174.368 176.519 0.003 0.000 1.075 42 W CA -2.236 55.115 57.345 0.010 0.000 1.233 42 W CB 1.498 30.953 29.460 -0.008 0.000 1.358 42 W HN 0.031 8.658 8.180 0.745 0.000 0.574 43 V N -0.040 119.729 119.914 -0.242 0.000 2.876 43 V HA 0.193 3.957 4.120 -0.594 0.000 0.312 43 V C -1.834 173.945 176.094 -0.525 0.000 1.085 43 V CA -1.846 60.193 62.300 -0.436 0.000 0.945 43 V CB 3.088 34.793 31.823 -0.196 0.000 1.017 43 V HN -0.224 7.941 8.190 -0.043 0.000 0.428 44 L N 4.188 125.068 121.223 -0.572 0.000 2.345 44 L HA 0.277 4.378 4.340 -0.398 0.000 0.274 44 L C -0.439 176.245 176.870 -0.310 0.000 0.999 44 L CA -1.163 53.400 54.840 -0.463 0.000 0.849 44 L CB 1.197 42.920 42.059 -0.560 0.000 1.220 44 L HN 0.078 7.976 8.230 -0.553 0.000 0.422 45 L N 3.796 124.858 121.223 -0.268 0.000 2.461 45 L HA 0.080 4.295 4.340 -0.208 0.000 0.259 45 L C 0.599 177.367 176.870 -0.171 0.000 1.248 45 L CA -0.082 54.627 54.840 -0.218 0.000 0.823 45 L CB -0.148 41.771 42.059 -0.234 0.000 1.111 45 L HN 0.014 8.075 8.230 -0.283 0.000 0.516 46 N N 1.437 120.056 118.700 -0.135 0.000 3.331 46 N HA 0.035 4.709 4.740 -0.111 0.000 0.303 46 N C -1.168 174.288 175.510 -0.090 0.000 1.326 46 N CA 0.032 53.018 53.050 -0.107 0.000 1.207 46 N CB -1.422 37.012 38.487 -0.090 0.000 1.477 46 N HN 0.129 8.431 8.380 -0.130 0.000 0.541 47 Q N -0.288 119.455 119.800 -0.095 0.000 2.284 47 Q HA 0.171 4.473 4.340 -0.063 0.000 0.269 47 Q C -0.955 175.003 176.000 -0.071 0.000 1.026 47 Q CA -0.583 55.174 55.803 -0.077 0.000 0.831 47 Q CB 2.478 31.168 28.738 -0.079 0.000 1.322 47 Q HN -0.512 7.633 8.270 -0.111 0.059 0.419 48 R N 2.475 122.947 120.500 -0.047 0.000 1.950 48 R HA -0.030 4.298 4.340 -0.021 0.000 0.197 48 R C -0.392 175.902 176.300 -0.010 0.000 1.471 48 R CA 1.303 57.391 56.100 -0.021 0.000 1.156 48 R CB 0.429 30.723 30.300 -0.009 0.000 0.905 48 R HN 0.168 8.412 8.270 -0.043 0.000 0.489 49 R N -1.746 118.757 120.500 0.005 0.000 2.445 49 R HA 0.168 4.477 4.340 -0.051 0.000 0.308 49 R C -1.110 175.192 176.300 0.003 0.000 0.961 49 R CA -0.745 55.346 56.100 -0.016 0.000 0.862 49 R CB 0.886 31.188 30.300 0.003 0.000 1.144 49 R HN -0.136 8.141 8.270 0.013 0.000 0.447 50 G N 1.814 110.627 108.800 0.022 0.000 2.702 50 G HA2 0.091 4.117 3.960 0.111 0.000 0.296 50 G HA3 0.091 4.097 3.960 0.078 0.000 0.296 50 G C -3.135 171.952 174.900 0.313 0.000 1.463 50 G CA 0.105 45.272 45.100 0.111 0.000 0.890 50 G HN -0.019 8.264 8.290 -0.012 0.000 0.534 51 F N 1.859 121.880 119.950 0.119 0.000 2.926 51 F HA 0.243 4.931 4.527 0.267 0.000 0.321 51 F C -2.054 173.781 175.800 0.058 0.000 1.168 51 F CA 0.070 58.159 58.000 0.149 0.000 0.890 51 F CB 3.064 42.123 39.000 0.099 0.000 1.357 51 F HN -0.149 8.281 8.300 0.218 0.000 0.468 52 L N -0.697 119.418 121.223 -1.846 0.000 2.464 52 L HA 0.462 4.478 4.340 -0.540 0.000 0.266 52 L C -1.622 174.500 176.870 -1.247 0.000 0.965 52 L CA -0.448 53.727 54.840 -1.109 0.000 0.833 52 L CB 2.615 44.271 42.059 -0.671 0.000 1.296 52 L HN -0.143 5.531 8.230 -4.260 0.000 0.405 53 C N 2.746 121.816 119.300 -0.384 0.000 2.364 53 C HA 0.088 4.615 4.460 0.111 0.000 0.356 53 C C -0.957 173.966 174.990 -0.112 0.000 1.201 53 C CA -0.183 58.799 59.018 -0.060 0.000 2.227 53 C CB 1.912 29.701 27.740 0.082 0.000 2.387 53 C HN 0.059 8.136 8.230 -0.255 0.000 0.546 54 N N -0.283 118.386 118.700 -0.051 0.000 4.349 54 N HA -0.198 4.510 4.740 -0.053 0.000 0.331 54 N C -1.780 173.670 175.510 -0.101 0.000 1.863 54 N CA 0.993 54.001 53.050 -0.070 0.000 3.061 54 N CB 0.368 38.810 38.487 -0.074 0.000 0.322 54 N HN 0.010 8.398 8.380 0.014 0.000 0.864 55 Q N -0.622 119.130 119.800 -0.080 0.000 2.241 55 Q HA 0.216 4.498 4.340 -0.097 0.000 0.262 55 Q C -1.520 174.439 176.000 -0.069 0.000 1.014 55 Q CA -0.943 54.817 55.803 -0.072 0.000 0.885 55 Q CB 1.732 30.450 28.738 -0.034 0.000 1.311 55 Q HN 0.087 8.317 8.270 -0.066 0.000 0.461 56 A N 0.911 123.681 122.820 -0.084 0.000 2.320 56 A HA 0.475 4.734 4.320 -0.101 0.000 0.334 56 A C -2.358 175.146 177.584 -0.133 0.000 1.147 56 A CA -2.337 49.624 52.037 -0.127 0.000 0.820 56 A CB -0.223 18.669 19.000 -0.181 0.000 1.218 56 A HN 0.379 8.483 8.150 -0.077 0.000 0.482 57 P HA 0.052 4.514 4.420 0.070 0.000 0.276 57 P C -0.714 176.492 177.300 -0.157 0.000 1.235 57 P CA 0.088 63.158 63.100 -0.050 0.000 0.772 57 P CB 0.984 32.652 31.700 -0.052 0.000 0.871 58 H N 2.021 121.100 119.070 0.014 0.000 2.517 58 H HA 0.028 4.573 4.556 -0.018 0.000 0.282 58 H C -1.096 174.197 175.328 -0.059 0.000 1.023 58 H CA -0.493 55.547 56.048 -0.014 0.000 1.169 58 H CB 0.170 29.928 29.762 -0.007 0.000 1.454 58 H HN 0.066 8.505 8.280 0.266 0.000 0.556 59 K N 0.121 120.487 120.400 -0.057 0.000 6.088 59 K HA -0.277 3.739 4.320 -0.508 0.000 0.624 59 K C -1.300 175.081 176.600 -0.365 0.000 1.685 59 K CA 0.347 56.417 56.287 -0.362 0.000 1.516 59 K CB -0.951 31.390 32.500 -0.265 0.000 1.815 59 K HN -0.284 7.865 8.250 -0.029 0.083 0.319 60 H N -2.878 116.246 119.070 0.090 0.000 2.794 60 H HA -0.214 4.338 4.556 -0.008 0.000 0.334 60 H C -0.597 174.669 175.328 -0.104 0.000 1.154 60 H CA 0.235 56.281 56.048 -0.005 0.000 1.129 60 H CB -1.459 28.302 29.762 -0.001 0.000 1.600 60 H HN 0.190 8.227 8.280 -0.405 0.000 0.410 61 G N -1.912 106.765 108.800 -0.206 0.000 2.885 61 G HA2 -0.214 3.478 3.960 -0.447 0.000 0.233 61 G HA3 -0.214 3.659 3.960 -0.145 0.000 0.233 61 G C -1.793 172.963 174.900 -0.239 0.000 2.964 61 G CA -0.401 44.522 45.100 -0.294 0.000 0.824 61 G HN -0.084 8.044 8.290 -0.271 0.000 0.441 62 F N -1.460 118.499 119.950 0.016 0.000 2.379 62 F HA 0.389 4.960 4.527 0.073 0.000 0.332 62 F C -0.871 174.913 175.800 -0.026 0.000 1.096 62 F CA -2.528 55.485 58.000 0.021 0.000 1.105 62 F CB 0.918 39.931 39.000 0.021 0.000 1.189 62 F HN -0.577 6.699 8.300 -1.708 0.000 0.515 63 L N 0.594 121.929 121.223 0.186 0.000 2.448 63 L HA 0.208 4.564 4.340 0.027 0.000 0.258 63 L C 0.185 177.128 176.870 0.122 0.000 1.104 63 L CA -1.031 53.852 54.840 0.072 0.000 0.800 63 L CB 0.337 42.371 42.059 -0.041 0.000 1.241 63 L HN 0.413 8.762 8.230 0.197 0.000 0.472 64 E N 0.119 120.345 120.200 0.044 0.000 2.849 64 E HA 0.055 4.441 4.350 0.061 0.000 0.257 64 E C 0.123 176.696 176.600 -0.046 0.000 1.306 64 E CA -0.960 55.455 56.400 0.024 0.000 1.058 64 E CB 0.685 30.394 29.700 0.015 0.000 1.249 64 E HN 0.041 8.403 8.360 0.002 0.000 0.638 65 G N -1.149 107.609 108.800 -0.070 0.000 2.687 65 G HA2 -0.160 3.701 3.960 -0.165 0.000 0.288 65 G HA3 -0.160 3.699 3.960 -0.168 0.000 0.288 65 G C -0.988 173.761 174.900 -0.252 0.000 0.713 65 G CA 0.084 45.084 45.100 -0.166 0.000 2.023 65 G HN 0.236 8.505 8.290 -0.034 0.000 0.529 66 R N 3.402 123.773 120.500 -0.215 0.000 2.351 66 R HA -0.152 4.073 4.340 -0.192 0.000 0.318 66 R C -0.162 175.992 176.300 -0.242 0.000 1.055 66 R CA 0.109 56.082 56.100 -0.212 0.000 0.968 66 R CB 0.517 30.705 30.300 -0.187 0.000 0.974 66 R HN -0.255 7.894 8.270 -0.166 0.021 0.439 67 H N 3.888 122.909 119.070 -0.081 0.000 2.495 67 H HA 0.142 4.692 4.556 -0.011 0.000 0.350 67 H C 1.448 176.704 175.328 -0.120 0.000 1.202 67 H CA -0.669 55.358 56.048 -0.035 0.000 1.322 67 H CB 2.905 32.713 29.762 0.078 0.000 1.544 67 H HN 0.182 8.425 8.280 -0.063 0.000 0.565 68 A N 3.479 126.353 122.820 0.090 0.000 1.957 68 A HA -0.490 3.769 4.320 -0.102 0.000 0.224 68 A C 1.011 178.433 177.584 -0.270 0.000 1.287 68 A CA 3.794 55.793 52.037 -0.064 0.000 0.682 68 A CB -0.231 18.762 19.000 -0.010 0.000 0.833 68 A HN 0.820 9.095 8.150 0.207 0.000 0.482 69 E N -3.260 116.812 120.200 -0.214 0.000 2.026 69 E HA -0.442 3.692 4.350 -0.361 0.000 0.206 69 E C 2.071 177.981 176.600 -1.151 0.000 1.028 69 E CA 2.452 58.550 56.400 -0.504 0.000 0.845 69 E CB -1.664 27.947 29.700 -0.148 0.000 0.772 69 E HN -0.010 8.330 8.360 -0.020 0.008 0.462 70 L N -1.684 119.159 121.223 -0.635 0.000 2.191 70 L HA -0.217 3.700 4.340 -0.705 0.000 0.212 70 L C 2.429 178.900 176.870 -0.664 0.000 1.103 70 L CA 1.176 55.638 54.840 -0.630 0.000 0.769 70 L CB -2.353 39.460 42.059 -0.410 0.000 0.908 70 L HN -0.213 7.790 8.230 -0.379 0.000 0.438 71 C N 0.739 119.679 119.300 -0.600 0.000 2.359 71 C HA -0.424 3.826 4.460 -0.351 0.000 0.277 71 C C 2.138 176.812 174.990 -0.527 0.000 1.192 71 C CA 2.959 61.699 59.018 -0.462 0.000 1.759 71 C CB -1.186 26.389 27.740 -0.276 0.000 2.038 71 C HN 0.004 7.783 8.230 -0.528 0.134 0.448 72 F N 0.429 120.208 119.950 -0.285 0.000 2.146 72 F HA -0.194 4.172 4.527 -0.269 0.000 0.298 72 F C 2.413 178.098 175.800 -0.191 0.000 1.096 72 F CA 1.817 59.699 58.000 -0.197 0.000 1.275 72 F CB -1.502 37.522 39.000 0.041 0.000 1.008 72 F HN -0.688 6.942 8.300 -1.116 0.000 0.480 73 L N -0.067 120.927 121.223 -0.382 0.000 2.211 73 L HA -0.451 3.915 4.340 0.043 0.000 0.216 73 L C 1.384 178.084 176.870 -0.284 0.000 1.092 73 L CA 2.997 57.681 54.840 -0.259 0.000 0.767 73 L CB -0.330 41.367 42.059 -0.604 0.000 0.894 73 L HN -0.499 6.847 8.230 -1.472 0.000 0.437 74 D N -3.255 116.955 120.400 -0.317 0.000 2.327 74 D HA -0.094 4.414 4.640 -0.220 0.000 0.205 74 D C 1.041 177.216 176.300 -0.208 0.000 0.989 74 D CA 1.337 55.185 54.000 -0.254 0.000 0.873 74 D CB 1.062 41.699 40.800 -0.272 0.000 0.955 74 D HN -0.314 7.640 8.370 -0.382 0.187 0.515 75 V N 1.142 120.935 119.914 -0.202 0.000 2.323 75 V HA -0.281 3.750 4.120 -0.147 0.000 0.244 75 V C 2.089 177.868 176.094 -0.523 0.000 1.041 75 V CA 2.110 64.320 62.300 -0.151 0.000 1.025 75 V CB 0.358 32.264 31.823 0.140 0.000 0.656 75 V HN -0.143 7.780 8.190 -0.179 0.160 0.451 76 I N -0.817 119.312 120.570 -0.734 0.000 2.121 76 I HA -0.341 2.237 4.170 -2.654 0.000 0.243 76 I C -1.044 174.453 176.117 -1.034 0.000 1.047 76 I CA 4.525 64.988 61.300 -1.395 0.000 1.308 76 I CB -4.004 33.374 38.000 -1.037 0.000 1.015 76 I HN -0.289 7.691 8.210 -0.382 0.000 0.410 77 P HA -0.082 4.188 4.420 -0.249 0.000 0.242 77 P C 0.077 177.291 177.300 -0.143 0.000 1.197 77 P CA 1.429 64.375 63.100 -0.258 0.000 0.765 77 P CB -0.443 31.180 31.700 -0.127 0.000 0.936 78 F N -1.010 118.703 119.950 -0.396 0.000 2.187 78 F HA -0.164 4.321 4.527 -0.069 0.000 0.295 78 F C 0.422 176.247 175.800 0.043 0.000 1.091 78 F CA 2.857 60.767 58.000 -0.150 0.000 1.308 78 F CB 1.255 40.218 39.000 -0.062 0.000 1.030 78 F HN 0.184 7.993 8.300 -0.367 0.271 0.487 79 W N -5.601 115.754 121.300 0.092 0.000 2.658 79 W HA -0.121 4.499 4.660 -0.067 0.000 0.263 79 W C -0.159 176.355 176.519 -0.009 0.000 1.274 79 W CA -0.621 56.735 57.345 0.017 0.000 1.343 79 W CB -0.078 29.445 29.460 0.105 0.000 1.106 79 W HN -0.893 6.847 8.180 -0.732 0.000 0.615 80 K N -4.108 116.347 120.400 0.091 0.000 3.419 80 K HA -0.460 3.863 4.320 0.004 0.000 0.272 80 K C -0.050 176.629 176.600 0.132 0.000 0.973 80 K CA 0.212 56.531 56.287 0.054 0.000 0.749 80 K CB -2.941 29.562 32.500 0.005 0.000 1.403 80 K HN -0.613 7.578 8.250 -0.050 0.030 0.456 81 L N -2.435 118.926 121.223 0.230 0.000 2.361 81 L HA -0.124 4.342 4.340 0.209 0.000 0.161 81 L C 0.599 177.558 176.870 0.149 0.000 0.893 81 L CA 0.976 55.959 54.840 0.239 0.000 1.513 81 L CB 0.228 42.507 42.059 0.367 0.000 1.826 81 L HN -0.325 8.065 8.230 0.266 0.000 0.453 82 D N -3.995 116.486 120.400 0.134 0.000 2.666 82 D HA 0.117 4.790 4.640 0.055 0.000 0.252 82 D C -0.830 175.514 176.300 0.073 0.000 1.143 82 D CA -0.646 53.395 54.000 0.068 0.000 1.096 82 D CB 2.495 43.305 40.800 0.016 0.000 1.260 82 D HN -0.061 8.405 8.370 0.161 0.000 0.633 83 L N -0.187 121.042 121.223 0.010 0.000 2.200 83 L HA 0.169 4.460 4.340 -0.082 0.000 0.200 83 L C 0.170 177.035 176.870 -0.009 0.000 1.072 83 L CA 2.318 57.130 54.840 -0.047 0.000 0.787 83 L CB 0.550 42.561 42.059 -0.081 0.000 0.957 83 L HN 0.002 8.231 8.230 -0.002 0.000 0.459 84 D N -3.096 117.300 120.400 -0.007 0.000 2.357 84 D HA -0.315 4.337 4.640 0.021 0.000 0.216 84 D C 0.035 176.338 176.300 0.006 0.000 0.973 84 D CA 1.720 55.721 54.000 0.001 0.000 0.912 84 D CB 0.009 40.791 40.800 -0.030 0.000 0.900 84 D HN 0.144 8.503 8.370 -0.019 0.000 0.501 85 Q N -3.802 116.004 119.800 0.009 0.000 2.177 85 Q HA 0.027 4.434 4.340 -0.037 -0.090 0.183 85 Q C -1.568 174.404 176.000 -0.046 0.000 1.040 85 Q CA -0.714 55.085 55.803 -0.006 0.000 1.089 85 Q CB 1.498 30.253 28.738 0.028 0.000 1.130 85 Q HN -0.396 7.810 8.270 0.021 0.076 0.575 86 D N -2.826 117.466 120.400 -0.181 0.000 2.677 86 D HA 0.306 4.286 4.640 -1.100 0.000 0.298 86 D C -2.033 173.990 176.300 -0.462 0.000 1.250 86 D CA -0.336 53.292 54.000 -0.618 0.000 0.888 86 D CB 4.976 45.517 40.800 -0.431 0.000 1.397 86 D HN -0.480 7.757 8.370 -0.039 0.109 0.461 87 Y N -4.258 116.111 120.300 0.114 0.000 2.354 87 Y HA 0.441 5.317 4.550 0.353 -0.114 0.330 87 Y C -1.427 174.549 175.900 0.127 0.000 1.011 87 Y CA -1.429 56.818 58.100 0.246 0.000 1.099 87 Y CB 2.250 40.886 38.460 0.293 0.000 1.179 87 Y HN 0.130 7.962 8.280 -0.748 0.000 0.442 88 R N 3.475 124.126 120.500 0.253 0.000 2.346 88 R HA 0.340 4.724 4.340 0.074 0.000 0.309 88 R C -1.090 175.266 176.300 0.093 0.000 1.119 88 R CA -1.073 55.102 56.100 0.125 0.000 1.112 88 R CB 0.894 31.263 30.300 0.114 0.000 1.132 88 R HN 0.048 8.496 8.270 0.296 0.000 0.538 89 V N 5.172 125.094 119.914 0.014 0.000 2.644 89 V HA 0.069 4.194 4.120 0.007 0.000 0.295 89 V C -1.109 174.828 176.094 -0.263 0.000 1.053 89 V CA -0.474 61.762 62.300 -0.107 0.000 0.987 89 V CB 1.201 32.851 31.823 -0.287 0.000 1.006 89 V HN 0.108 8.301 8.190 0.007 0.000 0.472 90 T N 6.274 120.646 114.554 -0.303 0.000 2.949 90 T HA 0.407 4.614 4.350 -0.507 -0.161 0.300 90 T C -2.034 172.317 174.700 -0.581 0.000 0.988 90 T CA -0.286 61.515 62.100 -0.497 0.000 0.993 90 T CB 1.477 70.047 68.868 -0.496 0.000 0.984 90 T HN 0.540 8.653 8.240 -0.212 0.000 0.442 91 C N 7.338 126.297 119.300 -0.568 0.000 2.341 91 C HA 0.122 4.493 4.460 -0.148 0.000 0.338 91 C C -2.387 172.251 174.990 -0.587 0.000 1.257 91 C CA -1.669 57.148 59.018 -0.335 0.000 1.883 91 C CB 1.924 29.673 27.740 0.015 0.000 2.334 91 C HN 0.359 8.275 8.230 -0.523 0.000 0.524 92 F N 8.664 128.547 119.950 -0.111 0.000 2.430 92 F HA 0.505 5.131 4.527 -0.074 -0.144 0.362 92 F C -1.246 174.410 175.800 -0.241 0.000 1.103 92 F CA -1.584 56.295 58.000 -0.201 0.000 1.045 92 F CB 1.135 39.856 39.000 -0.465 0.000 1.276 92 F HN 0.509 8.656 8.300 -0.100 0.092 0.444 93 T N 3.955 118.533 114.554 0.040 0.000 3.335 93 T HA 0.474 4.744 4.350 -0.133 0.000 0.321 93 T C -0.391 174.373 174.700 0.107 0.000 0.960 93 T CA -0.879 61.211 62.100 -0.017 0.000 1.034 93 T CB 1.952 70.805 68.868 -0.025 0.000 1.040 93 T HN -0.093 8.214 8.240 0.112 0.000 0.454 94 S N 4.368 120.142 115.700 0.122 0.000 2.481 94 S HA -0.330 4.365 4.470 0.244 -0.078 0.253 94 S C -0.807 173.973 174.600 0.300 0.000 0.998 94 S CA 2.409 60.752 58.200 0.237 0.000 0.972 94 S CB 0.259 63.630 63.200 0.285 0.000 0.751 94 S HN 0.523 8.855 8.310 0.037 0.000 0.515 95 W N -2.630 118.702 121.300 0.053 0.000 2.551 95 W HA 0.351 5.051 4.660 0.066 0.000 0.330 95 W C -0.772 175.744 176.519 -0.005 0.000 1.063 95 W CA -0.461 56.904 57.345 0.034 0.000 1.222 95 W CB 2.622 32.089 29.460 0.012 0.000 1.349 95 W HN -0.701 7.546 8.180 0.303 0.114 0.536 96 S N 5.151 120.455 115.700 -0.660 0.000 2.607 96 S HA 0.175 4.489 4.470 -0.259 0.000 0.272 96 S C -1.177 172.976 174.600 -0.746 0.000 1.166 96 S CA -1.683 56.183 58.200 -0.557 0.000 1.021 96 S CB 0.622 63.517 63.200 -0.508 0.000 1.113 96 S HN -0.043 7.611 8.310 -1.093 0.000 0.531 97 P HA 0.145 4.795 4.420 -0.145 -0.318 0.341 97 P C -1.779 175.302 177.300 -0.364 0.000 1.332 97 P CA -0.551 62.376 63.100 -0.289 0.000 0.769 97 P CB 1.128 32.753 31.700 -0.125 0.000 1.726 98 C N -5.283 113.958 119.300 -0.100 0.000 3.241 98 C HA 0.304 4.801 4.460 0.061 0.000 0.312 98 C C 1.081 176.072 174.990 0.002 0.000 1.350 98 C CA -1.694 57.359 59.018 0.060 0.000 1.415 98 C CB 2.865 30.774 27.740 0.281 0.000 1.770 98 C HN -0.349 7.834 8.230 -0.078 0.000 0.466 99 F N 0.683 120.652 119.950 0.031 0.000 2.063 99 F HA -0.370 4.247 4.527 0.009 -0.084 0.297 99 F C 1.000 176.824 175.800 0.039 0.000 1.099 99 F CA 2.601 60.618 58.000 0.029 0.000 1.220 99 F CB -1.550 37.475 39.000 0.041 0.000 0.972 99 F HN 0.580 9.320 8.300 0.732 0.000 0.487 100 S N 0.153 114.829 115.700 -1.707 0.000 2.324 100 S HA -0.039 4.110 4.470 -0.535 0.000 0.210 100 S C 2.204 176.505 174.600 -0.499 0.000 1.027 100 S CA 2.171 59.749 58.200 -1.037 0.000 0.945 100 S CB -0.637 61.781 63.200 -1.303 0.000 0.908 100 S HN -0.081 6.103 8.310 -3.547 -0.002 0.496 101 C N 2.512 121.550 119.300 -0.438 0.000 2.399 101 C HA -0.288 4.066 4.460 -0.178 0.000 0.282 101 C C 2.091 176.992 174.990 -0.149 0.000 1.227 101 C CA 2.954 61.860 59.018 -0.187 0.000 1.827 101 C CB -1.980 25.752 27.740 -0.013 0.000 2.068 101 C HN 0.193 8.062 8.230 -0.601 0.000 0.500 102 A N -1.158 121.572 122.820 -0.151 0.000 1.897 102 A HA -0.268 4.019 4.320 -0.055 0.000 0.215 102 A C 1.610 179.161 177.584 -0.056 0.000 1.181 102 A CA 3.165 55.154 52.037 -0.080 0.000 0.620 102 A CB -0.802 18.161 19.000 -0.061 0.000 0.821 102 A HN 0.468 8.347 8.150 -0.220 0.139 0.443 103 Q N -0.747 119.005 119.800 -0.080 0.000 1.975 103 Q HA -0.477 3.862 4.340 -0.001 0.000 0.205 103 Q C 2.469 178.467 176.000 -0.004 0.000 0.990 103 Q CA 3.753 59.537 55.803 -0.032 0.000 0.845 103 Q CB -0.309 28.402 28.738 -0.044 0.000 0.913 103 Q HN 0.432 8.504 8.270 -0.140 0.114 0.420 104 E N -0.730 119.442 120.200 -0.046 0.000 2.095 104 E HA -0.482 3.900 4.350 0.054 0.000 0.212 104 E C 2.348 178.946 176.600 -0.003 0.000 1.044 104 E CA 2.972 59.355 56.400 -0.029 0.000 0.857 104 E CB -0.301 29.314 29.700 -0.141 0.000 0.764 104 E HN -0.548 7.754 8.360 -0.097 0.000 0.462 105 M N -0.616 118.932 119.600 -0.087 0.000 2.200 105 M HA -0.409 3.986 4.480 -0.142 0.000 0.261 105 M C 1.882 178.256 176.300 0.123 0.000 1.074 105 M CA 2.738 58.014 55.300 -0.040 0.000 1.098 105 M CB -0.438 32.133 32.600 -0.048 0.000 1.268 105 M HN -0.795 7.424 8.290 -0.117 0.000 0.432 106 A N -1.460 121.414 122.820 0.089 0.000 1.944 106 A HA -0.525 3.856 4.320 0.103 0.000 0.222 106 A C 1.750 179.415 177.584 0.135 0.000 1.237 106 A CA 3.245 55.342 52.037 0.100 0.000 0.668 106 A CB -0.973 18.062 19.000 0.059 0.000 0.830 106 A HN 0.562 8.642 8.150 0.047 0.098 0.471 107 K N -1.040 119.454 120.400 0.157 0.000 1.980 107 K HA -0.365 4.004 4.320 0.082 0.000 0.223 107 K C 2.479 179.180 176.600 0.167 0.000 1.052 107 K CA 3.461 59.837 56.287 0.148 0.000 0.974 107 K CB -0.296 32.315 32.500 0.185 0.000 0.734 107 K HN 0.044 8.380 8.250 0.141 -0.001 0.447 108 F N -3.655 116.302 119.950 0.012 0.000 2.167 108 F HA -0.316 4.220 4.527 0.014 0.000 0.301 108 F C 2.160 177.995 175.800 0.058 0.000 1.066 108 F CA 3.466 61.481 58.000 0.025 0.000 1.285 108 F CB -0.575 38.435 39.000 0.016 0.000 1.032 108 F HN -0.665 8.107 8.300 0.786 0.000 0.495 109 I N -3.119 117.597 120.570 0.243 0.000 2.315 109 I HA -0.265 4.123 4.170 0.188 -0.106 0.233 109 I C 2.397 178.578 176.117 0.107 0.000 1.067 109 I CA 1.161 62.564 61.300 0.171 0.000 1.376 109 I CB 0.402 38.495 38.000 0.156 0.000 1.143 109 I HN -0.935 7.277 8.210 0.264 0.157 0.421 110 S N 1.843 117.594 115.700 0.086 0.000 2.380 110 S HA -0.376 4.124 4.470 0.050 0.000 0.229 110 S C 2.165 176.787 174.600 0.036 0.000 1.043 110 S CA 3.022 61.254 58.200 0.054 0.000 1.038 110 S CB -0.008 63.219 63.200 0.045 0.000 0.872 110 S HN 0.505 8.759 8.310 0.097 0.115 0.456 111 K N -0.752 119.661 120.400 0.023 0.000 2.097 111 K HA -0.171 4.139 4.320 -0.016 0.000 0.206 111 K C 0.926 177.524 176.600 -0.004 0.000 1.049 111 K CA 0.889 57.166 56.287 -0.016 0.000 0.933 111 K CB -0.130 32.322 32.500 -0.080 0.000 0.717 111 K HN 0.512 8.653 8.250 0.037 0.131 0.442 112 N N -2.046 116.674 118.700 0.034 0.000 2.707 112 N HA 0.021 4.798 4.740 0.062 0.000 0.249 112 N C -0.672 174.921 175.510 0.140 0.000 1.299 112 N CA -0.290 52.806 53.050 0.077 0.000 0.769 112 N CB 0.899 39.427 38.487 0.069 0.000 1.236 112 N HN -0.164 8.114 8.380 0.050 0.132 0.524 113 K N 2.010 122.477 120.400 0.111 0.000 2.442 113 K HA -0.394 4.032 4.320 0.097 -0.048 0.200 113 K C -0.065 176.611 176.600 0.127 0.000 1.045 113 K CA 1.554 57.902 56.287 0.102 0.000 0.937 113 K CB -0.974 31.564 32.500 0.063 0.000 0.757 113 K HN 0.414 8.714 8.250 0.083 0.000 0.474 114 H N -2.628 116.483 119.070 0.068 0.000 2.538 114 H HA -0.272 4.286 4.556 0.004 0.000 0.295 114 H C -0.664 174.737 175.328 0.120 0.000 1.095 114 H CA 1.885 57.969 56.048 0.060 0.000 1.216 114 H CB 0.345 30.158 29.762 0.084 0.000 1.355 114 H HN -0.075 8.271 8.280 0.256 0.088 0.567 115 V N -3.078 116.964 119.914 0.215 0.000 2.612 115 V HA 0.094 4.432 4.120 0.364 0.000 0.301 115 V C -0.553 175.603 176.094 0.103 0.000 1.046 115 V CA -1.118 61.332 62.300 0.250 0.000 0.946 115 V CB 1.751 33.754 31.823 0.301 0.000 1.003 115 V HN -0.721 7.489 8.190 0.218 0.111 0.459 116 S N 5.466 121.207 115.700 0.068 0.000 2.746 116 S HA 0.262 4.734 4.470 0.003 0.000 0.273 116 S C -1.672 172.883 174.600 -0.074 0.000 1.172 116 S CA -1.088 57.110 58.200 -0.003 0.000 1.116 116 S CB 1.183 64.371 63.200 -0.020 0.000 1.057 116 S HN -0.065 8.317 8.310 0.120 0.000 0.483 117 L N 3.750 124.907 121.223 -0.111 0.000 2.307 117 L HA 0.225 4.439 4.340 -0.413 -0.122 0.282 117 L C -0.911 175.862 176.870 -0.161 0.000 1.051 117 L CA -1.299 53.386 54.840 -0.259 0.000 0.804 117 L CB 0.270 42.174 42.059 -0.259 0.000 1.197 117 L HN 0.452 8.654 8.230 -0.047 0.000 0.431 118 C N 3.347 122.517 119.300 -0.217 0.000 2.409 118 C HA 0.414 5.029 4.460 -0.012 -0.162 0.297 118 C C -0.315 174.596 174.990 -0.131 0.000 1.083 118 C CA -1.619 57.326 59.018 -0.122 0.000 1.515 118 C CB -0.260 27.372 27.740 -0.180 0.000 1.869 118 C HN 0.204 8.237 8.230 -0.328 0.000 0.413 119 I N 3.453 124.040 120.570 0.028 0.000 2.371 119 I HA 0.112 4.401 4.170 -0.063 -0.156 0.290 119 I C -1.677 174.661 176.117 0.369 0.000 1.028 119 I CA -0.215 61.130 61.300 0.074 0.000 1.345 119 I CB 0.962 38.990 38.000 0.047 0.000 1.407 119 I HN 0.739 8.971 8.210 0.037 0.000 0.501 120 F N 7.408 127.283 119.950 -0.125 0.000 2.366 120 F HA 0.441 5.115 4.527 0.027 -0.131 0.366 120 F C -1.150 174.698 175.800 0.080 0.000 1.096 120 F CA -2.688 55.328 58.000 0.027 0.000 1.060 120 F CB 0.814 39.925 39.000 0.184 0.000 1.282 120 F HN 0.620 8.997 8.300 0.129 0.000 0.450 121 T N 1.548 116.186 114.554 0.139 0.000 2.932 121 T HA 0.654 5.210 4.350 0.164 -0.108 0.289 121 T C -0.945 173.848 174.700 0.155 0.000 1.039 121 T CA -3.433 58.740 62.100 0.122 0.000 1.024 121 T CB 3.575 72.454 68.868 0.020 0.000 1.090 121 T HN 0.153 8.417 8.240 0.041 0.000 0.496 122 A N 2.122 125.078 122.820 0.227 0.000 1.941 122 A HA 0.372 4.920 4.320 0.380 0.000 0.214 122 A C -0.970 176.761 177.584 0.245 0.000 1.368 122 A CA 0.309 52.551 52.037 0.341 0.000 0.651 122 A CB 1.681 20.994 19.000 0.521 0.000 1.064 122 A HN 0.370 8.469 8.150 0.222 0.184 0.492 123 R N -5.645 114.991 120.500 0.227 0.000 2.663 123 R HA 0.341 4.711 4.340 0.050 0.000 0.267 123 R C -2.319 174.059 176.300 0.129 0.000 1.038 123 R CA -0.697 55.497 56.100 0.158 0.000 0.886 123 R CB 2.975 33.458 30.300 0.305 0.000 1.249 123 R HN 0.050 8.389 8.270 0.272 0.094 0.463 124 I N -3.867 116.646 120.570 -0.095 0.000 2.769 124 I HA 0.340 4.645 4.170 0.226 0.000 0.298 124 I C -2.830 173.116 176.117 -0.285 0.000 1.128 124 I CA -1.012 60.236 61.300 -0.087 0.000 1.031 124 I CB 3.261 41.038 38.000 -0.372 0.000 1.235 124 I HN 0.139 8.206 8.210 -0.239 0.000 0.423 125 Y N 1.154 121.502 120.300 0.079 0.000 2.322 125 Y HA 0.291 4.850 4.550 0.015 0.000 0.324 125 Y C -0.499 175.426 175.900 0.042 0.000 1.027 125 Y CA -0.508 57.603 58.100 0.019 0.000 1.179 125 Y CB 1.508 39.933 38.460 -0.059 0.000 1.136 125 Y HN 0.005 8.499 8.280 0.357 0.000 0.449 126 D N 3.701 124.174 120.400 0.122 0.000 2.570 126 D HA 0.107 4.822 4.640 0.124 0.000 0.244 126 D C -1.853 174.486 176.300 0.065 0.000 1.178 126 D CA -0.487 53.575 54.000 0.103 0.000 0.881 126 D CB 3.310 44.165 40.800 0.091 0.000 1.453 126 D HN -0.208 8.190 8.370 0.045 0.000 0.447 127 D N -0.137 120.293 120.400 0.049 0.000 2.892 127 D HA 0.133 4.793 4.640 0.032 0.000 0.291 127 D C -0.495 175.810 176.300 0.008 0.000 1.341 127 D CA 0.321 54.339 54.000 0.030 0.000 0.844 127 D CB 0.433 41.252 40.800 0.032 0.000 1.093 127 D HN 0.020 8.421 8.370 0.051 0.000 0.480 128 Q N -1.334 118.465 119.800 -0.001 0.000 2.674 128 Q HA 0.236 4.558 4.340 -0.030 0.000 0.357 128 Q C 1.003 176.995 176.000 -0.013 0.000 1.089 128 Q CA 0.012 55.802 55.803 -0.022 0.000 0.577 128 Q CB 0.853 29.565 28.738 -0.043 0.000 4.433 128 Q HN -0.110 8.100 8.270 0.008 0.065 0.364 129 G N -1.530 107.265 108.800 -0.009 0.000 3.038 129 G HA2 -0.184 3.905 3.960 -0.005 0.000 0.197 129 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.197 129 G C 1.002 175.905 174.900 0.004 0.000 1.925 129 G CA -0.014 45.084 45.100 -0.004 0.000 1.405 129 G HN 0.248 8.533 8.290 -0.008 0.000 0.524 130 R N 2.253 122.754 120.500 0.002 0.000 2.148 130 R HA -0.209 4.140 4.340 0.015 0.000 0.227 130 R C 1.663 177.981 176.300 0.029 0.000 1.103 130 R CA 2.338 58.445 56.100 0.012 0.000 0.983 130 R CB -0.118 30.186 30.300 0.006 0.000 0.874 130 R HN 0.240 8.506 8.270 -0.006 0.000 0.451 131 C N -3.489 115.824 119.300 0.021 0.000 2.456 131 C HA -0.140 4.381 4.460 0.102 0.000 0.279 131 C C 0.694 175.770 174.990 0.143 0.000 1.427 131 C CA 0.294 59.356 59.018 0.072 0.000 1.778 131 C CB -1.041 26.666 27.740 -0.055 0.000 1.842 131 C HN 0.186 8.387 8.230 -0.007 0.025 0.531 132 Q N 0.479 120.326 119.800 0.079 0.000 2.458 132 Q HA -0.485 3.899 4.340 0.073 0.000 0.215 132 Q C 1.248 177.286 176.000 0.065 0.000 0.989 132 Q CA 2.417 58.258 55.803 0.063 0.000 0.895 132 Q CB -0.554 28.196 28.738 0.020 0.000 0.934 132 Q HN -0.444 7.688 8.270 0.045 0.165 0.475 133 E N 0.122 120.370 120.200 0.079 0.000 2.110 133 E HA -0.562 3.815 4.350 0.045 0.000 0.225 133 E C 2.262 178.893 176.600 0.052 0.000 1.063 133 E CA 2.764 59.203 56.400 0.064 0.000 0.906 133 E CB -1.283 28.465 29.700 0.080 0.000 0.795 133 E HN -0.719 7.591 8.360 0.088 0.103 0.479 134 G N -0.889 107.949 108.800 0.063 0.000 2.491 134 G HA2 -0.364 3.607 3.960 0.018 0.000 0.218 134 G HA3 -0.364 3.812 3.960 0.001 -0.215 0.218 134 G C 0.880 175.786 174.900 0.011 0.000 1.180 134 G CA 1.661 46.775 45.100 0.023 0.000 0.774 134 G HN -0.478 7.874 8.290 0.102 0.000 0.562 135 L N 1.880 123.111 121.223 0.012 0.000 2.017 135 L HA -0.512 3.805 4.340 -0.038 0.000 0.234 135 L C 1.643 178.505 176.870 -0.013 0.000 1.097 135 L CA 2.921 57.751 54.840 -0.016 0.000 0.816 135 L CB 0.019 42.066 42.059 -0.021 0.000 0.914 135 L HN -0.252 8.003 8.230 0.041 0.000 0.444 136 R N -6.210 114.287 120.500 -0.004 0.000 2.237 136 R HA -0.262 4.071 4.340 -0.011 0.000 0.219 136 R C 2.396 178.700 176.300 0.005 0.000 1.080 136 R CA 2.569 58.667 56.100 -0.003 0.000 0.995 136 R CB -0.863 29.436 30.300 -0.000 0.000 0.875 136 R HN -0.324 7.948 8.270 0.003 0.000 0.462 137 T N 2.613 117.174 114.554 0.011 0.000 2.735 137 T HA -0.163 4.197 4.350 0.018 0.000 0.256 137 T C 1.358 176.071 174.700 0.022 0.000 1.042 137 T CA 4.312 66.422 62.100 0.018 0.000 1.147 137 T CB 0.214 69.096 68.868 0.022 0.000 0.865 137 T HN 0.018 8.068 8.240 0.012 0.197 0.421 138 L N -0.294 120.941 121.223 0.020 0.000 2.275 138 L HA -0.161 4.207 4.340 0.047 0.000 0.215 138 L C 0.860 177.748 176.870 0.029 0.000 1.119 138 L CA 3.058 57.918 54.840 0.033 0.000 0.790 138 L CB -0.512 41.566 42.059 0.032 0.000 0.919 138 L HN 0.459 8.588 8.230 0.012 0.108 0.443 139 A N -0.681 122.146 122.820 0.012 0.000 1.872 139 A HA -0.112 4.390 4.320 0.007 -0.177 0.214 139 A C 1.508 179.097 177.584 0.009 0.000 1.187 139 A CA 2.611 54.651 52.037 0.004 0.000 0.614 139 A CB -0.382 18.611 19.000 -0.012 0.000 0.826 139 A HN -0.291 7.827 8.150 0.006 0.036 0.442 140 E N -2.903 117.303 120.200 0.010 0.000 2.140 140 E HA -0.112 4.243 4.350 0.008 0.000 0.191 140 E C 2.361 178.972 176.600 0.019 0.000 0.973 140 E CA 1.497 57.904 56.400 0.011 0.000 0.829 140 E CB 0.375 30.080 29.700 0.008 0.000 0.781 140 E HN -0.637 7.728 8.360 0.009 0.000 0.466 141 A N -3.105 119.730 122.820 0.025 0.000 2.032 141 A HA -0.198 4.139 4.320 0.029 0.000 0.221 141 A C 0.325 177.933 177.584 0.040 0.000 1.165 141 A CA 2.263 54.320 52.037 0.034 0.000 0.645 141 A CB 0.121 19.146 19.000 0.042 0.000 0.807 141 A HN 0.481 8.529 8.150 0.024 0.116 0.453 142 G N -7.478 101.345 108.800 0.039 0.000 3.987 142 G HA2 -0.159 3.819 3.960 0.029 0.000 0.220 142 G HA3 -0.159 3.832 3.960 0.052 0.000 0.220 142 G C -1.777 173.146 174.900 0.038 0.000 0.871 142 G CA -0.466 44.658 45.100 0.040 0.000 0.881 142 G HN -0.757 7.520 8.290 0.034 0.034 0.674 143 A N 2.283 125.128 122.820 0.041 0.000 2.309 143 A HA 0.093 4.428 4.320 0.025 0.000 0.290 143 A C -1.094 176.501 177.584 0.018 0.000 1.206 143 A CA -0.661 51.397 52.037 0.035 0.000 0.850 143 A CB 0.745 19.780 19.000 0.059 0.000 1.118 143 A HN 0.308 8.389 8.150 0.043 0.095 0.523 144 K N 4.924 125.330 120.400 0.011 0.000 2.273 144 K HA 0.255 4.583 4.320 0.013 0.000 0.287 144 K C -1.473 175.146 176.600 0.033 0.000 1.089 144 K CA -1.996 54.303 56.287 0.020 0.000 0.909 144 K CB -0.385 32.132 32.500 0.029 0.000 1.123 144 K HN 0.328 8.577 8.250 -0.002 0.000 0.473 145 I N 3.924 124.500 120.570 0.009 0.000 2.488 145 I HA 0.432 4.746 4.170 0.023 -0.131 0.299 145 I C 0.296 176.379 176.117 -0.056 0.000 0.984 145 I CA -3.204 58.091 61.300 -0.008 0.000 1.250 145 I CB 0.481 38.460 38.000 -0.035 0.000 1.389 145 I HN -0.085 8.123 8.210 -0.002 0.000 0.488 146 S N 4.381 120.006 115.700 -0.125 0.000 2.547 146 S HA 0.228 4.566 4.470 -0.219 0.000 0.281 146 S C -1.235 173.207 174.600 -0.264 0.000 1.118 146 S CA -1.283 56.736 58.200 -0.301 0.000 0.947 146 S CB 2.622 65.359 63.200 -0.772 0.000 1.053 146 S HN 0.330 8.596 8.310 -0.074 0.000 0.482 147 I N 4.434 124.890 120.570 -0.190 0.000 2.294 147 I HA 0.087 4.219 4.170 -0.063 0.000 0.295 147 I C -0.104 175.964 176.117 -0.081 0.000 1.098 147 I CA -1.970 59.272 61.300 -0.097 0.000 1.277 147 I CB -1.130 36.837 38.000 -0.055 0.000 1.434 147 I HN 0.676 8.777 8.210 -0.181 0.000 0.498 148 M N 9.587 129.184 119.600 -0.005 0.000 2.628 148 M HA -0.010 4.464 4.480 -0.010 0.000 0.326 148 M C -1.015 175.434 176.300 0.248 0.000 1.613 148 M CA 0.356 55.725 55.300 0.115 0.000 1.387 148 M CB -0.860 31.900 32.600 0.267 0.000 1.761 148 M HN 0.953 9.150 8.290 0.020 0.105 0.459 149 T N 4.948 119.584 114.554 0.136 0.000 2.884 149 T HA 0.256 4.686 4.350 0.133 0.000 0.277 149 T C 0.693 175.476 174.700 0.139 0.000 0.976 149 T CA -2.391 59.790 62.100 0.135 0.000 0.956 149 T CB 1.752 70.692 68.868 0.120 0.000 1.113 149 T HN -0.394 7.870 8.240 0.041 0.000 0.554 150 Y N -0.250 120.047 120.300 -0.005 0.000 2.003 150 Y HA -0.563 3.962 4.550 -0.041 0.000 0.261 150 Y C 1.746 177.764 175.900 0.197 0.000 1.211 150 Y CA 3.300 61.410 58.100 0.017 0.000 1.098 150 Y CB -1.426 36.982 38.460 -0.087 0.000 0.925 150 Y HN 0.274 8.727 8.280 0.288 0.000 0.498 151 S N -1.632 113.118 115.700 -1.585 0.000 2.359 151 S HA -0.425 3.659 4.470 -0.643 0.000 0.222 151 S C 2.166 176.671 174.600 -0.158 0.000 1.038 151 S CA 3.627 61.278 58.200 -0.914 0.000 1.051 151 S CB -0.602 62.014 63.200 -0.973 0.000 0.944 151 S HN -0.063 6.343 8.310 -3.173 0.000 0.433 152 E N 0.873 121.025 120.200 -0.081 0.000 2.333 152 E HA -0.244 4.190 4.350 0.140 0.000 0.198 152 E C 2.222 179.007 176.600 0.308 0.000 1.007 152 E CA 2.468 58.937 56.400 0.116 0.000 0.845 152 E CB -0.549 29.159 29.700 0.014 0.000 0.766 152 E HN 0.018 8.248 8.360 -0.216 0.000 0.507 153 F N 2.322 122.367 119.950 0.158 0.000 2.016 153 F HA -0.152 4.633 4.527 0.431 0.000 0.290 153 F C 1.223 177.242 175.800 0.365 0.000 1.166 153 F CA 2.890 61.086 58.000 0.326 0.000 1.156 153 F CB 0.668 39.847 39.000 0.299 0.000 0.995 153 F HN 0.401 8.618 8.300 0.330 0.281 0.477 154 K N -2.809 117.819 120.400 0.381 0.000 2.304 154 K HA -0.475 3.861 4.320 0.026 0.000 0.204 154 K C 2.494 179.212 176.600 0.197 0.000 1.044 154 K CA 3.153 59.551 56.287 0.185 0.000 0.932 154 K CB -1.288 31.298 32.500 0.144 0.000 0.735 154 K HN -0.247 8.271 8.250 0.447 0.000 0.468 155 H N 0.122 119.275 119.070 0.138 0.000 2.343 155 H HA -0.211 4.373 4.556 0.047 0.000 0.303 155 H C 1.404 176.746 175.328 0.023 0.000 1.068 155 H CA 2.969 59.066 56.048 0.082 0.000 1.359 155 H CB 0.922 30.747 29.762 0.105 0.000 1.402 155 H HN -0.396 8.016 8.280 0.339 0.071 0.515 156 C N 0.079 119.553 119.300 0.290 0.000 2.398 156 C HA -0.415 4.135 4.460 0.150 0.000 0.279 156 C C 1.978 176.580 174.990 -0.647 0.000 1.250 156 C CA 2.790 61.851 59.018 0.073 0.000 1.786 156 C CB -1.529 26.260 27.740 0.081 0.000 2.018 156 C HN 0.051 8.280 8.230 0.351 0.211 0.494 157 W N -1.316 119.602 121.300 -0.636 0.000 2.444 157 W HA -0.310 3.645 4.660 -1.174 0.000 0.308 157 W C 1.514 177.564 176.519 -0.781 0.000 1.183 157 W CA 2.401 59.260 57.345 -0.809 0.000 1.340 157 W CB -0.211 29.034 29.460 -0.358 0.000 1.138 157 W HN -0.603 7.705 8.180 0.413 0.121 0.510 158 D N -2.651 117.647 120.400 -0.169 0.000 2.393 158 D HA -0.214 4.347 4.640 -0.132 0.000 0.220 158 D C 1.578 177.736 176.300 -0.236 0.000 0.974 158 D CA 2.531 56.419 54.000 -0.186 0.000 0.931 158 D CB -0.483 40.178 40.800 -0.233 0.000 0.889 158 D HN -0.487 7.835 8.370 0.002 0.049 0.512 159 T N -0.096 114.193 114.554 -0.442 0.000 2.925 159 T HA -0.061 4.246 4.350 -0.071 0.000 0.245 159 T C 0.144 174.688 174.700 -0.259 0.000 1.025 159 T CA 3.525 65.451 62.100 -0.290 0.000 1.149 159 T CB 0.962 69.677 68.868 -0.254 0.000 0.866 159 T HN -0.458 7.110 8.240 -0.731 0.233 0.437 160 F N -4.002 115.782 119.950 -0.277 0.000 2.680 160 F HA 0.177 4.595 4.527 -0.182 0.000 0.290 160 F C -0.336 175.377 175.800 -0.145 0.000 1.114 160 F CA -1.204 56.658 58.000 -0.230 0.000 1.333 160 F CB 0.086 38.899 39.000 -0.311 0.000 1.091 160 F HN -0.920 6.022 8.300 -2.265 0.000 0.606 161 V N 1.020 120.703 119.914 -0.385 0.000 2.763 161 V HA -0.246 3.864 4.120 -0.018 0.000 0.306 161 V C 1.162 177.198 176.094 -0.096 0.000 1.059 161 V CA 0.674 62.893 62.300 -0.134 0.000 1.138 161 V CB 0.012 31.779 31.823 -0.094 0.000 0.940 161 V HN -0.392 7.218 8.190 -0.966 0.000 0.489 162 D N 8.721 129.058 120.400 -0.105 0.000 2.644 162 D HA -0.055 4.439 4.640 -0.243 0.000 0.252 162 D C -1.312 174.504 176.300 -0.807 0.000 1.254 162 D CA 0.417 54.206 54.000 -0.350 0.000 0.884 162 D CB -1.220 39.368 40.800 -0.353 0.000 1.034 162 D HN 0.677 9.039 8.370 -0.013 0.000 0.473 163 H N -1.964 117.096 119.070 -0.017 0.000 3.006 163 H HA 0.195 4.745 4.556 -0.010 0.000 0.304 163 H C -0.504 174.804 175.328 -0.033 0.000 1.403 163 H CA -0.320 55.722 56.048 -0.010 0.000 1.615 163 H CB 1.136 30.907 29.762 0.015 0.000 1.935 163 H HN -0.130 7.951 8.280 -0.074 0.154 0.626 164 Q N 3.040 122.853 119.800 0.022 0.000 2.528 164 Q HA -0.322 4.110 4.340 -0.068 -0.132 0.217 164 Q C -0.457 175.535 176.000 -0.013 0.000 0.988 164 Q CA 2.334 58.120 55.803 -0.028 0.000 0.900 164 Q CB 0.151 28.864 28.738 -0.040 0.000 0.947 164 Q HN 0.367 8.634 8.270 -0.006 0.000 0.502 165 G N -3.390 105.438 108.800 0.047 0.000 4.864 165 G HA2 0.167 4.127 3.960 -0.000 0.000 0.280 165 G HA3 0.167 4.140 3.960 0.022 0.000 0.280 165 G C -0.652 174.273 174.900 0.042 0.000 1.239 165 G CA -1.065 44.052 45.100 0.028 0.000 0.951 165 G HN -0.382 7.844 8.290 0.108 0.129 0.583 166 C N 2.329 121.678 119.300 0.081 0.000 2.893 166 C HA -0.101 4.387 4.460 0.047 0.000 0.388 166 C C -0.848 174.133 174.990 -0.015 0.000 1.244 166 C CA -1.656 57.404 59.018 0.071 0.000 1.923 166 C CB -0.131 27.727 27.740 0.196 0.000 2.654 166 C HN -0.193 8.094 8.230 0.094 0.000 0.717 167 P HA 0.127 4.503 4.420 -0.073 0.000 0.262 167 P C -1.313 175.925 177.300 -0.104 0.000 1.304 167 P CA -0.357 62.695 63.100 -0.080 0.000 0.859 167 P CB -0.047 31.587 31.700 -0.111 0.000 1.310 168 F N 2.132 121.896 119.950 -0.309 0.000 2.539 168 F HA -0.148 4.200 4.527 -0.300 0.000 0.340 168 F C -0.968 174.676 175.800 -0.260 0.000 1.185 168 F CA 1.615 59.350 58.000 -0.443 0.000 1.333 168 F CB 1.026 39.292 39.000 -1.223 0.000 1.152 168 F HN -0.692 7.488 8.300 -0.069 0.079 0.602 169 Q N 3.229 122.636 119.800 -0.655 0.000 2.456 169 Q HA 0.310 4.659 4.340 0.016 0.000 0.284 169 Q C -2.496 173.521 176.000 0.029 0.000 1.061 169 Q CA -2.883 52.812 55.803 -0.179 0.000 0.799 169 Q CB 2.927 31.563 28.738 -0.171 0.000 1.445 169 Q HN 0.007 7.167 8.270 -1.850 0.000 0.411 170 P HA 0.171 4.855 4.420 0.439 0.000 0.286 170 P C -1.864 175.573 177.300 0.229 0.000 1.261 170 P CA -0.493 62.752 63.100 0.242 0.000 0.821 170 P CB 0.735 32.488 31.700 0.088 0.000 1.013 171 W N 0.594 121.913 121.300 0.032 0.000 2.639 171 W HA 0.244 4.912 4.660 0.013 0.000 0.347 171 W C -0.417 176.122 176.519 0.033 0.000 1.067 171 W CA -1.857 55.508 57.345 0.033 0.000 1.218 171 W CB 1.244 30.747 29.460 0.072 0.000 1.393 171 W HN -0.374 7.846 8.180 0.067 0.000 0.557 172 D N 3.462 123.889 120.400 0.045 0.000 2.813 172 D HA -0.108 4.434 4.640 -0.164 0.000 0.248 172 D C 0.021 176.290 176.300 -0.051 0.000 1.254 172 D CA 0.520 54.482 54.000 -0.063 0.000 0.921 172 D CB -1.529 39.275 40.800 0.007 0.000 1.118 172 D HN 0.435 8.912 8.370 0.178 0.000 0.450 173 G N -3.195 105.460 108.800 -0.241 0.000 2.659 173 G HA2 0.244 4.234 3.960 0.007 0.000 0.197 173 G HA3 0.244 4.532 3.960 0.547 0.000 0.197 173 G C 0.382 175.170 174.900 -0.187 0.000 1.099 173 G CA 0.243 45.345 45.100 0.004 0.000 0.759 173 G HN 0.123 7.792 8.290 -0.792 0.146 0.715 174 L N 1.507 122.256 121.223 -0.791 0.000 2.230 174 L HA -0.518 3.688 4.340 -0.223 0.000 0.217 174 L C 1.033 177.797 176.870 -0.176 0.000 1.090 174 L CA 2.923 57.441 54.840 -0.536 0.000 0.771 174 L CB -0.664 40.877 42.059 -0.864 0.000 0.892 174 L HN -0.508 6.684 8.230 -1.729 0.000 0.438 175 D N -2.207 118.070 120.400 -0.204 0.000 2.095 175 D HA -0.472 4.106 4.640 -0.103 0.000 0.192 175 D C 2.035 178.293 176.300 -0.071 0.000 0.990 175 D CA 3.049 56.977 54.000 -0.120 0.000 0.836 175 D CB -1.274 39.453 40.800 -0.122 0.000 0.979 175 D HN -0.063 8.074 8.370 -0.281 0.065 0.447 176 E N 0.942 121.075 120.200 -0.112 0.000 2.058 176 E HA -0.447 3.877 4.350 -0.044 0.000 0.194 176 E C 2.570 179.162 176.600 -0.013 0.000 0.997 176 E CA 3.007 59.348 56.400 -0.098 0.000 0.801 176 E CB -0.019 29.571 29.700 -0.184 0.000 0.746 176 E HN -0.355 7.919 8.360 -0.143 0.000 0.450 177 H N -0.695 118.484 119.070 0.182 0.000 2.254 177 H HA -0.172 4.619 4.556 0.392 0.000 0.294 177 H C 2.778 178.175 175.328 0.115 0.000 1.071 177 H CA 2.810 59.007 56.048 0.249 0.000 1.228 177 H CB -0.413 29.534 29.762 0.309 0.000 1.358 177 H HN -0.480 7.618 8.280 -0.302 0.000 0.495 178 S N -0.219 115.600 115.700 0.199 0.000 2.380 178 S HA -0.483 4.047 4.470 0.101 0.000 0.229 178 S C 2.371 176.996 174.600 0.041 0.000 1.050 178 S CA 3.915 62.170 58.200 0.092 0.000 1.100 178 S CB -0.525 62.706 63.200 0.051 0.000 0.984 178 S HN 0.103 8.429 8.310 0.207 0.109 0.434 179 Q N 1.524 121.339 119.800 0.025 0.000 2.103 179 Q HA -0.433 3.904 4.340 -0.006 0.000 0.213 179 Q C 2.543 178.533 176.000 -0.018 0.000 1.008 179 Q CA 3.464 59.267 55.803 0.001 0.000 0.879 179 Q CB -0.210 28.528 28.738 -0.000 0.000 0.946 179 Q HN -0.051 8.234 8.270 0.024 0.000 0.413 180 D N -0.403 119.987 120.400 -0.016 0.000 2.108 180 D HA -0.330 4.254 4.640 -0.093 0.000 0.190 180 D C 2.521 178.724 176.300 -0.161 0.000 0.995 180 D CA 3.346 57.277 54.000 -0.115 0.000 0.834 180 D CB -0.111 40.550 40.800 -0.232 0.000 0.967 180 D HN -0.426 7.902 8.370 0.034 0.063 0.446 181 L N -1.099 120.039 121.223 -0.142 0.000 1.970 181 L HA -0.400 3.826 4.340 -0.190 0.000 0.212 181 L C 1.581 178.397 176.870 -0.090 0.000 1.071 181 L CA 3.293 58.054 54.840 -0.131 0.000 0.751 181 L CB -0.162 41.854 42.059 -0.072 0.000 0.889 181 L HN -0.535 7.641 8.230 -0.090 0.000 0.432 182 S N -1.212 114.456 115.700 -0.053 0.000 2.363 182 S HA -0.394 4.046 4.470 -0.050 0.000 0.218 182 S C 2.330 176.901 174.600 -0.048 0.000 1.035 182 S CA 3.513 61.686 58.200 -0.044 0.000 1.043 182 S CB -0.636 62.550 63.200 -0.024 0.000 0.986 182 S HN 0.631 8.820 8.310 -0.033 0.101 0.423 183 G N 1.374 110.149 108.800 -0.041 0.000 2.606 183 G HA2 -0.391 3.551 3.960 -0.030 0.000 0.223 183 G HA3 -0.391 3.586 3.960 -0.036 -0.038 0.223 183 G C 1.547 176.419 174.900 -0.048 0.000 1.106 183 G CA 1.982 47.059 45.100 -0.038 0.000 0.745 183 G HN 0.393 8.563 8.290 -0.035 0.098 0.597 184 R N 1.524 121.983 120.500 -0.068 0.000 2.054 184 R HA -0.117 4.186 4.340 -0.062 0.000 0.223 184 R C 2.222 178.483 176.300 -0.066 0.000 1.176 184 R CA 1.986 58.041 56.100 -0.075 0.000 0.934 184 R CB -0.506 29.728 30.300 -0.111 0.000 0.828 184 R HN -0.611 7.480 8.270 -0.079 0.132 0.441 185 L N -0.036 121.141 121.223 -0.076 0.000 2.085 185 L HA -0.446 3.852 4.340 -0.070 0.000 0.218 185 L C 2.078 178.919 176.870 -0.048 0.000 1.080 185 L CA 3.593 58.393 54.840 -0.067 0.000 0.776 185 L CB -0.186 41.830 42.059 -0.072 0.000 0.891 185 L HN 0.552 8.629 8.230 -0.090 0.099 0.437 186 R N -2.559 117.915 120.500 -0.043 0.000 2.096 186 R HA -0.425 3.897 4.340 -0.029 0.000 0.229 186 R C 2.018 178.301 176.300 -0.028 0.000 1.134 186 R CA 1.593 57.674 56.100 -0.032 0.000 0.917 186 R CB -1.832 28.450 30.300 -0.029 0.000 0.832 186 R HN 0.342 8.578 8.270 -0.048 0.005 0.430 187 A N -0.852 121.950 122.820 -0.030 0.000 1.852 187 A HA -0.337 3.971 4.320 -0.019 0.000 0.217 187 A C 2.385 179.956 177.584 -0.022 0.000 1.215 187 A CA 3.038 55.060 52.037 -0.024 0.000 0.641 187 A CB -0.715 18.269 19.000 -0.028 0.000 0.838 187 A HN -0.386 7.596 8.150 -0.034 0.147 0.450 188 I N -3.682 116.871 120.570 -0.028 0.000 2.181 188 I HA -0.459 3.702 4.170 -0.016 0.000 0.247 188 I C 1.670 177.778 176.117 -0.015 0.000 1.081 188 I CA 2.761 64.048 61.300 -0.021 0.000 1.340 188 I CB -0.763 37.219 38.000 -0.029 0.000 1.036 188 I HN 0.009 8.091 8.210 -0.036 0.106 0.417 189 L N -1.505 119.707 121.223 -0.018 0.000 2.034 189 L HA -0.212 4.122 4.340 -0.009 0.000 0.203 189 L C 2.125 178.989 176.870 -0.010 0.000 1.074 189 L CA 2.440 57.272 54.840 -0.013 0.000 0.748 189 L CB 0.332 42.381 42.059 -0.016 0.000 0.905 189 L HN -0.581 7.630 8.230 -0.024 0.004 0.439 190 Q N -2.293 117.500 119.800 -0.012 0.000 2.518 190 Q HA -0.210 4.125 4.340 -0.008 0.000 0.217 190 Q C -0.772 175.224 176.000 -0.008 0.000 0.974 190 Q CA 0.276 56.073 55.803 -0.010 0.000 0.971 190 Q CB -0.293 28.439 28.738 -0.012 0.000 0.988 190 Q HN 0.529 8.677 8.270 -0.016 0.112 0.536 191 N N -4.083 114.612 118.700 -0.007 0.000 2.718 191 N HA -0.470 4.287 4.740 -0.005 -0.020 0.268 191 N C -0.885 174.622 175.510 -0.005 0.000 0.965 191 N CA 0.580 53.628 53.050 -0.005 0.000 0.817 191 N CB -2.230 36.256 38.487 -0.002 0.000 0.914 191 N HN -0.526 7.666 8.380 -0.008 0.183 0.558 192 Q N -0.434 119.361 119.800 -0.008 0.000 2.413 192 Q HA -0.321 4.015 4.340 -0.007 0.000 0.298 192 Q C 0.519 176.516 176.000 -0.005 0.000 1.186 192 Q CA 0.808 56.606 55.803 -0.007 0.000 1.014 192 Q CB -0.565 28.167 28.738 -0.010 0.000 1.130 192 Q HN -0.637 7.632 8.270 -0.010 -0.005 0.410 193 E N 3.770 123.968 120.200 -0.003 0.000 2.589 193 E HA -0.268 4.081 4.350 -0.001 0.000 0.266 193 E C 0.633 177.232 176.600 -0.002 0.000 1.387 193 E CA 0.422 56.821 56.400 -0.002 0.000 1.155 193 E CB 0.559 30.258 29.700 -0.001 0.000 0.967 193 E HN 0.227 8.584 8.360 -0.004 0.000 0.529 194 N N 0.000 118.700 118.700 -0.001 0.000 1.763 194 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 194 N CA 0.000 53.050 53.050 -0.001 0.000 0.885 194 N CB 0.000 38.487 38.487 0.000 0.000 1.341 194 N HN 0.000 8.380 8.380 -0.000 0.000 0.667