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 2rte_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.347 4.320 0.045 0.000 0.244 13 A C 0.000 177.404 177.584 -0.300 0.000 1.274 13 A CA 0.000 51.995 52.037 -0.071 0.000 0.836 13 A CB 0.000 19.007 19.000 0.012 0.000 0.831 14 E N 2.983 123.039 120.200 -0.241 0.000 2.070 14 E HA -0.452 3.479 4.350 -0.697 0.000 0.197 14 E C 1.398 177.840 176.600 -0.263 0.000 1.004 14 E CA 3.839 60.026 56.400 -0.356 0.000 0.805 14 E CB -0.663 28.976 29.700 -0.103 0.000 0.744 14 E HN 0.768 9.098 8.360 -0.049 0.000 0.451 15 A N -1.164 121.566 122.820 -0.150 0.000 1.933 15 A HA -0.283 3.971 4.320 -0.111 0.000 0.218 15 A C 2.272 179.784 177.584 -0.120 0.000 1.175 15 A CA 2.583 54.554 52.037 -0.111 0.000 0.628 15 A CB -1.078 17.888 19.000 -0.057 0.000 0.814 15 A HN 0.298 8.385 8.150 -0.105 0.000 0.444 16 G N -2.035 106.682 108.800 -0.138 0.000 2.408 16 G HA2 -0.191 3.787 3.960 0.030 0.000 0.217 16 G HA3 -0.191 3.760 3.960 -0.015 0.000 0.217 16 G C 1.696 176.482 174.900 -0.190 0.000 1.150 16 G CA 1.393 46.445 45.100 -0.079 0.000 0.776 16 G HN 0.035 8.223 8.290 -0.147 0.013 0.542 17 I N 1.680 121.978 120.570 -0.453 0.000 2.333 17 I HA -0.286 3.792 4.170 -0.153 0.000 0.246 17 I C -0.010 176.056 176.117 -0.086 0.000 1.106 17 I CA 2.768 63.860 61.300 -0.347 0.000 1.411 17 I CB 0.279 37.894 38.000 -0.641 0.000 1.082 17 I HN -0.170 7.647 8.210 -0.513 0.085 0.420 18 T N 2.061 116.504 114.554 -0.185 0.000 2.905 18 T HA -0.383 4.025 4.350 -0.195 -0.174 0.299 18 T C -0.110 174.503 174.700 -0.145 0.000 1.024 18 T CA 3.425 65.427 62.100 -0.163 0.000 1.151 18 T CB -0.188 68.585 68.868 -0.158 0.000 0.987 18 T HN -0.252 7.843 8.240 -0.242 0.000 0.535 19 G N 5.443 114.132 108.800 -0.186 0.000 2.350 19 G HA2 -0.062 3.752 3.960 -0.242 0.000 0.282 19 G HA3 -0.062 3.666 3.960 -0.386 0.000 0.282 19 G C -2.965 171.727 174.900 -0.347 0.000 1.314 19 G CA 0.356 45.283 45.100 -0.289 0.000 0.915 19 G HN 0.013 8.183 8.290 -0.201 0.000 0.499 20 T N 2.423 116.709 114.554 -0.447 0.000 2.823 20 T HA 0.804 5.097 4.350 -0.368 -0.164 0.279 20 T C -1.065 173.284 174.700 -0.585 0.000 0.998 20 T CA 0.419 62.268 62.100 -0.418 0.000 0.994 20 T CB 1.992 70.688 68.868 -0.288 0.000 0.960 20 T HN 0.206 8.169 8.240 -0.461 0.000 0.448 21 W N 4.266 125.263 121.300 -0.505 0.000 2.950 21 W HA 0.523 5.291 4.660 -0.093 -0.164 0.340 21 W C -1.809 174.495 176.519 -0.358 0.000 1.139 21 W CA -1.214 55.979 57.345 -0.254 0.000 1.188 21 W CB 3.965 33.353 29.460 -0.120 0.000 1.426 21 W HN 0.863 8.841 8.180 -0.336 0.000 0.531 22 Y N -2.264 118.313 120.300 0.462 0.000 2.545 22 Y HA 0.872 5.815 4.550 0.315 -0.204 0.348 22 Y C -1.106 174.977 175.900 0.304 0.000 1.002 22 Y CA -1.729 56.563 58.100 0.321 0.000 1.039 22 Y CB 4.202 42.752 38.460 0.150 0.000 1.271 22 Y HN 0.511 9.114 8.280 0.538 0.000 0.467 23 N N -0.144 118.710 118.700 0.256 0.000 2.653 23 N HA 0.698 5.570 4.740 -0.080 -0.179 0.294 23 N C 1.873 177.403 175.510 0.032 0.000 1.305 23 N CA -2.793 50.203 53.050 -0.091 0.000 0.827 23 N CB 2.185 40.314 38.487 -0.597 0.000 1.415 23 N HN -0.197 8.371 8.380 0.313 0.000 0.546 24 Q N -0.629 119.169 119.800 -0.003 0.000 2.368 24 Q HA -0.195 4.177 4.340 0.053 0.000 0.210 24 Q C 0.217 176.246 176.000 0.049 0.000 0.982 24 Q CA 2.441 58.267 55.803 0.040 0.000 0.884 24 Q CB -0.822 27.942 28.738 0.043 0.000 0.933 24 Q HN 0.333 8.566 8.270 -0.062 0.000 0.460 25 L N -2.700 118.558 121.223 0.058 0.000 2.477 25 L HA 0.153 4.525 4.340 0.054 0.000 0.220 25 L C 0.760 177.677 176.870 0.079 0.000 1.106 25 L CA -0.032 54.849 54.840 0.068 0.000 0.851 25 L CB 0.684 42.793 42.059 0.084 0.000 0.994 25 L HN -0.337 8.120 8.230 0.047 -0.199 0.462 26 G N -2.181 106.681 108.800 0.104 0.000 2.134 26 G HA2 -0.327 3.698 3.960 0.107 0.000 0.209 26 G HA3 -0.327 3.676 3.960 0.072 0.000 0.209 26 G C -0.603 174.411 174.900 0.189 0.000 0.993 26 G CA -0.277 44.892 45.100 0.115 0.000 0.669 26 G HN -0.298 8.026 8.290 0.110 0.032 0.519 27 S N 1.133 116.958 115.700 0.208 0.000 2.617 27 S HA 0.112 4.724 4.470 0.163 -0.044 0.269 27 S C -1.032 173.667 174.600 0.166 0.000 1.292 27 S CA 1.281 59.587 58.200 0.176 0.000 1.010 27 S CB 1.546 64.882 63.200 0.226 0.000 0.944 27 S HN -0.521 8.165 8.310 0.188 -0.263 0.536 28 T N 4.455 118.981 114.554 -0.047 0.000 2.823 28 T HA 0.605 4.869 4.350 -0.399 -0.154 0.279 28 T C -1.529 172.910 174.700 -0.434 0.000 0.998 28 T CA -0.059 61.901 62.100 -0.233 0.000 0.994 28 T CB 1.612 70.436 68.868 -0.073 0.000 0.960 28 T HN 0.663 8.856 8.240 -0.079 0.000 0.448 29 F N 8.676 128.298 119.950 -0.547 0.000 2.553 29 F HA 0.614 4.932 4.527 -0.562 -0.127 0.335 29 F C -3.107 172.494 175.800 -0.332 0.000 1.148 29 F CA -2.812 54.872 58.000 -0.527 0.000 0.963 29 F CB 3.032 41.653 39.000 -0.632 0.000 1.217 29 F HN 0.626 8.725 8.300 -0.335 0.000 0.441 30 I N 8.477 128.887 120.570 -0.267 0.000 2.362 30 I HA 0.576 4.705 4.170 -0.352 -0.170 0.289 30 I C -2.383 173.524 176.117 -0.349 0.000 0.994 30 I CA -0.943 60.173 61.300 -0.306 0.000 1.158 30 I CB 2.180 40.076 38.000 -0.173 0.000 1.315 30 I HN 0.514 8.662 8.210 -0.104 0.000 0.451 31 V N 7.764 127.411 119.914 -0.445 0.000 3.078 31 V HA 0.821 4.942 4.120 -0.263 -0.159 0.311 31 V C -2.246 173.691 176.094 -0.262 0.000 1.138 31 V CA -3.060 59.010 62.300 -0.384 0.000 1.007 31 V CB 4.995 36.411 31.823 -0.679 0.000 1.045 31 V HN 0.606 8.540 8.190 -0.427 0.000 0.432 32 T N 7.543 121.983 114.554 -0.190 0.000 2.848 32 T HA 0.271 4.526 4.350 -0.158 0.000 0.285 32 T C -2.275 172.349 174.700 -0.126 0.000 0.995 32 T CA -0.608 61.406 62.100 -0.142 0.000 0.970 32 T CB 2.169 70.982 68.868 -0.092 0.000 0.976 32 T HN 0.428 8.568 8.240 -0.167 0.000 0.441 33 A N 7.070 129.799 122.820 -0.151 0.000 2.288 33 A HA 0.860 5.339 4.320 -0.049 -0.189 0.320 33 A C -0.918 176.669 177.584 0.006 0.000 1.217 33 A CA -2.089 49.867 52.037 -0.134 0.000 0.840 33 A CB 1.757 20.480 19.000 -0.462 0.000 1.179 33 A HN 0.439 8.489 8.150 -0.167 0.000 0.504 34 G N 0.911 109.791 108.800 0.133 0.000 2.462 34 G HA2 0.278 4.271 3.960 0.056 0.000 0.319 34 G HA3 0.278 4.286 3.960 0.080 0.000 0.319 34 G C -0.064 174.939 174.900 0.172 0.000 1.171 34 G CA -1.514 43.651 45.100 0.108 0.000 0.920 34 G HN 0.546 8.830 8.290 0.189 0.120 0.499 35 A N 0.390 123.268 122.820 0.095 0.000 2.032 35 A HA -0.227 4.162 4.320 0.115 0.000 0.221 35 A C 0.856 178.458 177.584 0.031 0.000 1.165 35 A CA 2.475 54.559 52.037 0.078 0.000 0.645 35 A CB -0.344 18.678 19.000 0.038 0.000 0.807 35 A HN 0.548 8.734 8.150 0.061 0.000 0.453 36 D N -5.656 114.751 120.400 0.011 0.000 2.336 36 D HA -0.133 4.477 4.640 -0.050 0.000 0.229 36 D C 0.213 176.432 176.300 -0.134 0.000 1.061 36 D CA -0.837 53.137 54.000 -0.044 0.000 0.875 36 D CB -0.825 39.962 40.800 -0.022 0.000 0.904 36 D HN -0.253 8.098 8.370 0.033 0.039 0.525 37 G N -2.224 106.426 108.800 -0.250 0.000 2.157 37 G HA2 -0.455 2.452 3.960 -1.756 0.000 0.239 37 G HA3 -0.455 3.197 3.960 -0.514 0.000 0.239 37 G C -1.437 173.345 174.900 -0.196 0.000 0.982 37 G CA 0.043 44.742 45.100 -0.668 0.000 0.650 37 G HN -0.207 7.947 8.290 -0.110 0.070 0.527 38 A N 0.109 122.967 122.820 0.062 0.000 2.302 38 A HA 0.496 4.873 4.320 0.095 0.000 0.285 38 A C -1.680 176.027 177.584 0.205 0.000 1.105 38 A CA -1.251 50.861 52.037 0.125 0.000 0.816 38 A CB 2.317 21.357 19.000 0.066 0.000 1.067 38 A HN -0.680 7.640 8.150 0.065 -0.131 0.489 39 L N 0.075 121.381 121.223 0.139 0.000 2.409 39 L HA 0.949 5.525 4.340 0.029 -0.218 0.272 39 L C -0.562 176.326 176.870 0.030 0.000 0.980 39 L CA -1.265 53.618 54.840 0.071 0.000 0.826 39 L CB 3.373 45.481 42.059 0.083 0.000 1.268 39 L HN -0.078 8.223 8.230 0.119 0.000 0.407 40 T N 1.833 116.377 114.554 -0.016 0.000 2.900 40 T HA 0.845 5.370 4.350 0.004 -0.173 0.303 40 T C -1.349 173.320 174.700 -0.052 0.000 1.142 40 T CA -2.267 59.824 62.100 -0.015 0.000 1.007 40 T CB 2.613 71.478 68.868 -0.005 0.000 1.156 40 T HN 0.365 8.577 8.240 -0.046 0.000 0.490 41 G N 3.386 112.164 108.800 -0.036 0.000 2.360 41 G HA2 0.335 4.261 3.960 -0.056 0.000 0.276 41 G HA3 0.335 4.445 3.960 -0.083 -0.200 0.276 41 G C -2.929 171.969 174.900 -0.003 0.000 1.256 41 G CA 0.975 46.047 45.100 -0.048 0.000 0.890 41 G HN -0.257 8.026 8.290 -0.013 0.000 0.486 42 T N -2.432 112.128 114.554 0.011 0.000 2.906 42 T HA 1.022 5.625 4.350 0.095 -0.196 0.295 42 T C -2.452 172.330 174.700 0.136 0.000 1.075 42 T CA -2.288 59.856 62.100 0.073 0.000 1.005 42 T CB 3.705 72.601 68.868 0.047 0.000 1.136 42 T HN -0.019 8.207 8.240 -0.024 0.000 0.498 43 Y N 1.384 121.731 120.300 0.079 0.000 2.492 43 Y HA 0.739 5.526 4.550 0.095 -0.181 0.346 43 Y C -2.729 173.327 175.900 0.260 0.000 0.997 43 Y CA -1.880 56.287 58.100 0.111 0.000 1.025 43 Y CB 4.723 43.177 38.460 -0.009 0.000 1.263 43 Y HN 0.674 9.133 8.280 0.299 0.000 0.454 44 E N 6.930 127.211 120.200 0.135 0.000 2.218 44 E HA 0.491 5.139 4.350 0.497 0.000 0.263 44 E C -2.355 174.412 176.600 0.279 0.000 0.879 44 E CA -1.508 55.067 56.400 0.292 0.000 0.762 44 E CB 4.149 33.938 29.700 0.148 0.000 1.166 44 E HN 0.622 8.785 8.360 -0.328 0.000 0.415 45 S N 7.232 123.202 115.700 0.451 0.000 2.525 45 S HA 0.254 4.963 4.470 0.398 0.000 0.290 45 S C -0.178 174.533 174.600 0.186 0.000 1.152 45 S CA -1.585 56.833 58.200 0.364 0.000 1.072 45 S CB 1.634 64.997 63.200 0.272 0.000 1.027 45 S HN 0.709 9.330 8.310 0.518 0.000 0.500 46 A N 6.740 129.648 122.820 0.146 0.000 2.123 46 A HA 0.081 4.453 4.320 0.087 0.000 0.214 46 A C -0.268 177.341 177.584 0.040 0.000 1.152 46 A CA 1.008 53.099 52.037 0.089 0.000 0.728 46 A CB 0.541 19.595 19.000 0.090 0.000 0.814 46 A HN 0.543 8.801 8.150 0.180 0.000 0.464 47 V N -6.094 113.825 119.914 0.008 0.000 3.141 47 V HA 0.405 4.505 4.120 -0.033 0.000 0.312 47 V C -0.071 175.939 176.094 -0.140 0.000 1.157 47 V CA -1.702 60.569 62.300 -0.049 0.000 1.041 47 V CB 2.731 34.528 31.823 -0.044 0.000 1.071 47 V HN -0.654 7.507 8.190 0.025 0.045 0.441 48 G N 0.953 109.664 108.800 -0.148 0.000 2.685 48 G HA2 -0.301 3.541 3.960 -0.198 0.000 0.387 48 G HA3 -0.301 3.441 3.960 -0.364 0.000 0.387 48 G C -1.364 173.421 174.900 -0.191 0.000 1.324 48 G CA -0.481 44.480 45.100 -0.232 0.000 0.878 48 G HN 0.348 8.578 8.290 -0.101 0.000 0.527 49 N N 2.246 120.805 118.700 -0.234 0.000 2.968 49 N HA 0.003 4.694 4.740 -0.080 0.000 0.271 49 N C -1.811 173.615 175.510 -0.140 0.000 1.174 49 N CA -0.803 52.163 53.050 -0.141 0.000 1.096 49 N CB -1.384 37.026 38.487 -0.127 0.000 1.403 49 N HN 0.101 8.296 8.380 -0.308 0.000 0.522 50 A N 1.902 124.684 122.820 -0.063 0.000 2.594 50 A HA 0.418 4.893 4.320 0.257 0.000 0.295 50 A C -2.423 175.295 177.584 0.224 0.000 1.071 50 A CA -0.861 51.238 52.037 0.103 0.000 0.685 50 A CB 2.946 21.874 19.000 -0.120 0.000 1.285 50 A HN -0.384 7.696 8.150 -0.052 0.038 0.405 51 E N 2.334 122.779 120.200 0.407 0.000 2.354 51 E HA 0.202 4.659 4.350 0.179 0.000 0.283 51 E C -1.174 175.524 176.600 0.162 0.000 0.938 51 E CA -0.505 56.027 56.400 0.220 0.000 0.777 51 E CB 2.625 32.388 29.700 0.105 0.000 1.222 51 E HN 0.416 9.207 8.360 0.719 0.000 0.423 52 S N 0.754 116.499 115.700 0.075 0.000 3.784 52 S HA -0.411 4.042 4.470 -0.029 0.000 0.636 52 S C -1.355 173.284 174.600 0.065 0.000 2.075 52 S CA 1.410 59.597 58.200 -0.023 0.000 2.280 52 S CB 0.397 63.489 63.200 -0.179 0.000 0.330 52 S HN 0.378 8.738 8.310 0.084 0.000 1.762 53 R N -0.810 119.679 120.500 -0.017 0.000 2.573 53 R HA 0.316 4.970 4.340 0.265 -0.155 0.272 53 R C -0.812 175.398 176.300 -0.150 0.000 1.009 53 R CA -0.516 55.623 56.100 0.064 0.000 1.059 53 R CB 1.417 31.754 30.300 0.060 0.000 1.112 53 R HN -0.182 8.062 8.270 -0.044 0.000 0.517 54 Y N -2.051 118.338 120.300 0.148 0.000 2.512 54 Y HA 0.202 4.801 4.550 0.081 0.000 0.348 54 Y C -0.653 175.265 175.900 0.030 0.000 0.990 54 Y CA -1.122 57.025 58.100 0.078 0.000 1.033 54 Y CB 2.873 41.346 38.460 0.021 0.000 1.259 54 Y HN -0.013 8.510 8.280 0.404 0.000 0.461 55 V N 1.840 121.830 119.914 0.126 0.000 2.775 55 V HA 0.172 4.486 4.120 0.060 -0.158 0.299 55 V C -0.396 175.725 176.094 0.044 0.000 1.062 55 V CA 1.202 63.541 62.300 0.064 0.000 1.063 55 V CB 0.432 32.277 31.823 0.037 0.000 0.994 55 V HN 0.687 8.951 8.190 0.123 0.000 0.483 56 L N 0.323 121.568 121.223 0.037 0.000 2.409 56 L HA 1.020 5.546 4.340 0.041 -0.161 0.262 56 L C -1.622 175.275 176.870 0.046 0.000 0.992 56 L CA -1.431 53.435 54.840 0.043 0.000 0.817 56 L CB 4.337 46.412 42.059 0.026 0.000 1.350 56 L HN 0.351 8.601 8.230 0.032 0.000 0.411 57 T N 0.931 115.534 114.554 0.082 0.000 2.916 57 T HA 0.817 5.394 4.350 0.063 -0.189 0.305 57 T C -1.333 173.455 174.700 0.146 0.000 1.119 57 T CA -1.769 60.380 62.100 0.082 0.000 1.008 57 T CB 2.416 71.317 68.868 0.054 0.000 1.129 57 T HN -0.205 8.102 8.240 0.111 0.000 0.480 58 G N 2.211 111.099 108.800 0.147 0.000 2.554 58 G HA2 0.641 4.704 3.960 0.172 0.000 0.306 58 G HA3 0.641 4.910 3.960 0.295 -0.132 0.306 58 G C -2.940 172.057 174.900 0.161 0.000 1.320 58 G CA 0.675 45.894 45.100 0.198 0.000 0.800 58 G HN 0.071 8.428 8.290 0.112 0.000 0.481 59 R N -3.586 117.022 120.500 0.180 0.000 2.774 59 R HA 1.123 5.728 4.340 0.148 -0.176 0.272 59 R C -1.740 174.692 176.300 0.220 0.000 1.000 59 R CA -2.295 53.893 56.100 0.146 0.000 0.906 59 R CB 5.000 35.336 30.300 0.059 0.000 1.227 59 R HN 0.067 8.461 8.270 0.208 0.000 0.468 60 Y N -3.050 117.279 120.300 0.048 0.000 2.677 60 Y HA 0.586 5.288 4.550 0.068 -0.112 0.334 60 Y C -2.005 173.917 175.900 0.037 0.000 1.154 60 Y CA -2.571 55.558 58.100 0.048 0.000 1.070 60 Y CB 2.443 40.917 38.460 0.023 0.000 1.294 60 Y HN 0.495 8.738 8.280 -0.062 0.000 0.475 61 D N 0.246 120.705 120.400 0.098 0.000 2.380 61 D HA 0.221 4.790 4.640 -0.117 0.000 0.230 61 D C 0.082 176.378 176.300 -0.006 0.000 1.154 61 D CA -1.426 52.565 54.000 -0.015 0.000 0.859 61 D CB 0.740 41.587 40.800 0.079 0.000 1.045 61 D HN 0.024 8.569 8.370 0.292 0.000 0.495 62 S N 4.789 120.315 115.700 -0.290 0.000 2.423 62 S HA -0.309 4.303 4.470 0.236 0.000 0.231 62 S C -0.071 174.571 174.600 0.068 0.000 1.014 62 S CA 1.884 60.021 58.200 -0.106 0.000 0.965 62 S CB 0.276 63.318 63.200 -0.263 0.000 0.785 62 S HN 0.054 8.133 8.310 -0.385 0.000 0.495 63 A N 3.058 125.893 122.820 0.025 0.000 2.786 63 A HA 0.493 4.852 4.320 0.065 0.000 0.346 63 A C -2.650 174.970 177.584 0.061 0.000 1.265 63 A CA -3.192 48.872 52.037 0.046 0.000 0.858 63 A CB 0.221 19.233 19.000 0.019 0.000 1.118 63 A HN -0.666 7.607 8.150 -0.022 -0.136 0.482 64 P HA 0.037 4.696 4.420 0.091 -0.184 0.302 64 P C -1.183 176.159 177.300 0.070 0.000 1.301 64 P CA -0.306 62.852 63.100 0.096 0.000 0.770 64 P CB 1.263 33.041 31.700 0.131 0.000 1.458 65 A N -3.579 119.282 122.820 0.068 0.000 2.325 65 A HA 0.413 4.760 4.320 0.045 0.000 0.333 65 A C 0.609 178.224 177.584 0.053 0.000 1.155 65 A CA -1.918 50.150 52.037 0.051 0.000 0.814 65 A CB 2.638 21.666 19.000 0.045 0.000 1.206 65 A HN -0.215 7.981 8.150 0.077 0.000 0.482 66 T N 1.705 116.285 114.554 0.044 0.000 3.781 66 T HA -0.039 4.340 4.350 0.049 0.000 0.286 66 T C -1.470 173.252 174.700 0.037 0.000 1.277 66 T CA -0.217 61.908 62.100 0.042 0.000 1.136 66 T CB -1.515 67.374 68.868 0.035 0.000 1.202 66 T HN 0.367 8.645 8.240 0.038 -0.015 0.884 67 D N 1.768 122.192 120.400 0.040 0.000 2.970 67 D HA 0.003 4.661 4.640 0.030 0.000 0.344 67 D C -0.705 175.616 176.300 0.036 0.000 1.365 67 D CA -1.059 52.962 54.000 0.034 0.000 0.910 67 D CB 1.219 42.037 40.800 0.030 0.000 1.445 67 D HN 0.227 8.430 8.370 0.048 0.196 0.532 68 G N -1.723 107.094 108.800 0.029 0.000 3.717 68 G HA2 0.172 4.149 3.960 0.028 0.000 0.258 68 G HA3 0.172 4.145 3.960 0.021 0.000 0.258 68 G C -0.700 174.217 174.900 0.027 0.000 1.088 68 G CA -0.297 44.819 45.100 0.026 0.000 1.737 68 G HN -0.088 8.217 8.290 0.026 0.000 0.648 69 S N 1.216 116.938 115.700 0.037 0.000 2.664 69 S HA 0.201 4.692 4.470 0.035 0.000 0.304 69 S C -0.673 173.960 174.600 0.054 0.000 1.099 69 S CA -0.553 57.673 58.200 0.043 0.000 1.003 69 S CB 2.976 66.204 63.200 0.047 0.000 1.092 69 S HN -0.808 7.506 8.310 0.044 0.022 0.525 70 G N -0.696 108.140 108.800 0.061 0.000 2.502 70 G HA2 0.330 4.411 3.960 0.066 0.000 0.305 70 G HA3 0.330 4.334 3.960 0.073 0.000 0.305 70 G C -1.209 173.769 174.900 0.130 0.000 1.190 70 G CA -0.980 44.169 45.100 0.082 0.000 0.933 70 G HN 0.035 8.358 8.290 0.055 0.000 0.503 71 T N 4.028 118.702 114.554 0.199 0.000 2.744 71 T HA 0.101 4.560 4.350 0.182 0.000 0.291 71 T C -0.695 174.130 174.700 0.208 0.000 0.957 71 T CA 0.739 62.974 62.100 0.226 0.000 1.002 71 T CB 1.154 70.209 68.868 0.311 0.000 0.919 71 T HN 0.199 8.474 8.240 0.234 0.106 0.468 72 A N 8.034 130.953 122.820 0.165 0.000 2.340 72 A HA 0.728 5.315 4.320 0.148 -0.178 0.268 72 A C -1.531 176.161 177.584 0.180 0.000 1.100 72 A CA -1.085 51.041 52.037 0.149 0.000 0.803 72 A CB 1.388 20.450 19.000 0.105 0.000 1.043 72 A HN 0.675 8.912 8.150 0.145 0.000 0.488 73 L N -5.576 115.756 121.223 0.181 0.000 2.765 73 L HA 0.862 5.414 4.340 0.206 -0.088 0.263 73 L C -1.690 175.294 176.870 0.190 0.000 1.068 73 L CA -1.175 53.796 54.840 0.218 0.000 0.903 73 L CB 3.561 45.785 42.059 0.275 0.000 1.512 73 L HN 0.224 8.551 8.230 0.161 0.000 0.404 74 G N -3.923 105.013 108.800 0.227 0.000 2.673 74 G HA2 0.749 4.867 3.960 0.001 0.000 0.292 74 G HA3 0.749 4.746 3.960 0.062 0.000 0.292 74 G C -3.406 171.663 174.900 0.282 0.000 1.450 74 G CA 0.715 45.893 45.100 0.130 0.000 0.837 74 G HN -0.206 8.247 8.290 0.272 0.000 0.505 75 W N -2.679 118.658 121.300 0.062 0.000 3.066 75 W HA 0.659 5.426 4.660 0.024 -0.093 0.330 75 W C -2.945 173.625 176.519 0.085 0.000 1.253 75 W CA -1.447 55.912 57.345 0.024 0.000 1.187 75 W CB 2.302 31.718 29.460 -0.074 0.000 1.434 75 W HN 0.186 8.189 8.180 -0.295 0.000 0.572 76 T N 1.413 116.104 114.554 0.229 0.000 2.893 76 T HA 0.862 5.431 4.350 0.047 -0.190 0.291 76 T C -1.456 173.292 174.700 0.081 0.000 1.028 76 T CA -0.763 61.396 62.100 0.099 0.000 0.995 76 T CB 3.286 72.163 68.868 0.015 0.000 1.051 76 T HN 0.527 8.938 8.240 0.285 0.000 0.470 77 V N 3.835 123.691 119.914 -0.097 0.000 2.623 77 V HA 0.279 4.255 4.120 -0.241 0.000 0.304 77 V C -2.378 173.354 176.094 -0.603 0.000 1.054 77 V CA -1.123 60.939 62.300 -0.397 0.000 0.882 77 V CB 3.633 34.985 31.823 -0.785 0.000 1.002 77 V HN 0.095 8.208 8.190 -0.128 0.000 0.424 78 A N 5.125 127.699 122.820 -0.410 0.000 2.276 78 A HA 0.570 4.876 4.320 -0.232 -0.125 0.316 78 A C -0.095 177.332 177.584 -0.262 0.000 1.229 78 A CA -1.759 50.132 52.037 -0.243 0.000 0.851 78 A CB 1.684 20.648 19.000 -0.060 0.000 1.165 78 A HN 0.674 8.661 8.150 -0.272 0.000 0.513 79 W N 5.445 126.705 121.300 -0.067 0.000 1.564 79 W HA -0.085 4.344 4.660 -0.385 0.000 0.448 79 W C -1.414 175.168 176.519 0.104 0.000 0.601 79 W CA -1.212 56.036 57.345 -0.161 0.000 2.326 79 W CB -0.821 28.463 29.460 -0.294 0.000 1.355 79 W HN 0.637 8.842 8.180 0.043 0.000 0.382 80 K N 1.141 121.786 120.400 0.409 0.000 2.443 80 K HA 0.743 5.450 4.320 0.299 -0.207 0.252 80 K C -1.664 175.095 176.600 0.265 0.000 0.933 80 K CA -1.258 55.209 56.287 0.301 0.000 0.792 80 K CB 3.157 35.739 32.500 0.137 0.000 1.185 80 K HN -0.296 8.080 8.250 0.349 0.083 0.425 81 N N 4.736 123.513 118.700 0.128 0.000 3.439 81 N HA 0.229 4.944 4.740 -0.042 0.000 0.313 81 N C -0.638 174.804 175.510 -0.113 0.000 1.598 81 N CA -1.202 51.809 53.050 -0.064 0.000 0.830 81 N CB 0.817 39.116 38.487 -0.313 0.000 1.849 81 N HN 0.749 9.220 8.380 0.153 0.000 0.598 82 N N -1.450 117.087 118.700 -0.272 0.000 2.512 82 N HA -0.039 4.520 4.740 -0.302 0.000 0.183 82 N C 0.107 175.224 175.510 -0.655 0.000 1.073 82 N CA 2.376 55.120 53.050 -0.509 0.000 0.911 82 N CB 0.047 38.085 38.487 -0.749 0.000 0.964 82 N HN 0.151 8.383 8.380 -0.248 0.000 0.447 83 Y N -2.347 117.933 120.300 -0.033 0.000 2.559 83 Y HA 0.087 4.637 4.550 -0.001 0.000 0.279 83 Y C -0.134 175.781 175.900 0.026 0.000 1.117 83 Y CA 1.184 59.281 58.100 -0.006 0.000 1.263 83 Y CB 1.678 40.128 38.460 -0.017 0.000 1.230 83 Y HN -0.516 7.868 8.280 -0.151 -0.194 0.528 84 R N -2.561 118.049 120.500 0.184 0.000 2.808 84 R HA 0.227 4.633 4.340 0.111 0.000 0.272 84 R C -2.444 173.939 176.300 0.139 0.000 0.995 84 R CA -1.135 55.062 56.100 0.162 0.000 0.917 84 R CB 4.491 34.925 30.300 0.223 0.000 1.217 84 R HN 0.203 8.972 8.270 0.179 -0.392 0.471 85 N N 0.636 119.356 118.700 0.033 0.000 2.549 85 N HA 0.310 5.180 4.740 0.006 -0.126 0.281 85 N C -1.370 173.948 175.510 -0.320 0.000 1.084 85 N CA -0.019 52.966 53.050 -0.108 0.000 0.862 85 N CB 1.142 39.528 38.487 -0.168 0.000 1.333 85 N HN 0.364 8.752 8.380 0.014 0.000 0.523 86 A N 2.699 125.407 122.820 -0.187 0.000 2.238 86 A HA 0.106 4.330 4.320 -0.161 0.000 0.210 86 A C 0.151 177.649 177.584 -0.142 0.000 1.179 86 A CA 0.044 51.981 52.037 -0.167 0.000 0.827 86 A CB 0.827 19.777 19.000 -0.083 0.000 0.856 86 A HN 0.565 8.708 8.150 -0.012 0.000 0.488 87 H N -4.061 115.062 119.070 0.087 0.000 2.748 87 H HA -0.298 4.301 4.556 0.070 0.000 0.322 87 H C -2.015 173.348 175.328 0.059 0.000 1.208 87 H CA 0.780 56.865 56.048 0.062 0.000 1.151 87 H CB -2.905 26.876 29.762 0.032 0.000 1.505 87 H HN -0.441 7.795 8.280 -0.322 -0.149 0.429 88 S N -3.552 112.246 115.700 0.163 0.000 2.625 88 S HA 0.906 5.578 4.470 0.115 -0.132 0.271 88 S C -2.317 172.435 174.600 0.254 0.000 1.161 88 S CA -0.401 57.901 58.200 0.169 0.000 0.820 88 S CB 5.014 68.276 63.200 0.103 0.000 1.137 88 S HN -0.296 8.113 8.310 0.166 0.000 0.470 89 A N -0.586 122.348 122.820 0.190 0.000 2.547 89 A HA 0.807 5.247 4.320 -0.058 -0.156 0.297 89 A C -2.417 175.175 177.584 0.014 0.000 1.056 89 A CA -0.509 51.556 52.037 0.047 0.000 0.688 89 A CB 3.804 22.785 19.000 -0.032 0.000 1.282 89 A HN 0.603 8.832 8.150 0.130 0.000 0.400 90 T N 4.460 118.948 114.554 -0.111 0.000 2.863 90 T HA 0.990 5.409 4.350 -0.229 -0.207 0.285 90 T C -0.598 173.852 174.700 -0.417 0.000 1.009 90 T CA -1.339 60.575 62.100 -0.311 0.000 0.989 90 T CB 2.681 71.208 68.868 -0.568 0.000 1.004 90 T HN 0.537 8.620 8.240 -0.261 0.000 0.455 91 T N 1.242 115.544 114.554 -0.420 0.000 2.876 91 T HA 0.746 5.145 4.350 -0.215 -0.179 0.289 91 T C -1.774 172.674 174.700 -0.421 0.000 1.014 91 T CA -1.740 60.181 62.100 -0.298 0.000 0.986 91 T CB 2.510 71.284 68.868 -0.157 0.000 1.021 91 T HN 0.622 8.640 8.240 -0.371 0.000 0.458 92 W N 3.226 124.158 121.300 -0.612 0.000 2.587 92 W HA 0.409 5.051 4.660 -0.261 -0.138 0.324 92 W C -1.485 174.709 176.519 -0.543 0.000 1.040 92 W CA -1.360 55.590 57.345 -0.657 0.000 1.222 92 W CB 3.429 32.031 29.460 -1.430 0.000 1.381 92 W HN 0.674 8.645 8.180 -0.348 0.000 0.483 93 S N 1.957 117.607 115.700 -0.084 0.000 2.532 93 S HA 0.780 5.363 4.470 -0.041 -0.137 0.299 93 S C -1.061 173.560 174.600 0.036 0.000 1.105 93 S CA -1.631 56.549 58.200 -0.033 0.000 1.018 93 S CB 1.670 64.857 63.200 -0.021 0.000 1.021 93 S HN 0.651 8.949 8.310 -0.020 0.000 0.483 94 G N 3.923 112.768 108.800 0.075 0.000 2.435 94 G HA2 0.594 4.615 3.960 0.103 0.000 0.296 94 G HA3 0.594 4.800 3.960 0.160 -0.151 0.296 94 G C -3.308 171.678 174.900 0.143 0.000 1.240 94 G CA 0.807 45.980 45.100 0.122 0.000 0.872 94 G HN 0.388 8.724 8.290 0.078 0.000 0.480 95 Q N -2.986 116.910 119.800 0.159 0.000 2.389 95 Q HA 0.861 5.507 4.340 0.184 -0.196 0.277 95 Q C -2.103 174.011 176.000 0.190 0.000 1.082 95 Q CA -1.894 54.008 55.803 0.165 0.000 0.810 95 Q CB 4.978 33.787 28.738 0.119 0.000 1.374 95 Q HN 0.151 8.520 8.270 0.164 0.000 0.422 96 Y N 3.640 123.992 120.300 0.087 0.000 2.330 96 Y HA 0.528 5.274 4.550 0.063 -0.159 0.336 96 Y C -2.284 173.674 175.900 0.096 0.000 1.036 96 Y CA -1.751 56.392 58.100 0.071 0.000 1.125 96 Y CB 2.528 41.008 38.460 0.034 0.000 1.194 96 Y HN 0.842 9.183 8.280 0.291 0.113 0.469 97 V N 8.310 127.897 119.914 -0.545 0.000 2.376 97 V HA 0.325 4.259 4.120 -0.309 0.000 0.287 97 V C -1.114 174.559 176.094 -0.702 0.000 1.015 97 V CA -1.683 60.361 62.300 -0.427 0.000 0.834 97 V CB 1.990 33.724 31.823 -0.147 0.000 1.001 97 V HN 0.537 8.451 8.190 -0.460 0.000 0.428 98 G N 4.444 112.854 108.800 -0.650 0.000 2.532 98 G HA2 0.521 4.277 3.960 -0.341 0.000 0.291 98 G HA3 0.521 4.427 3.960 -0.090 0.000 0.291 98 G C -0.969 173.881 174.900 -0.083 0.000 1.349 98 G CA -1.403 43.506 45.100 -0.318 0.000 1.038 98 G HN 0.366 8.390 8.290 -0.444 0.000 0.518 99 G N -2.550 106.253 108.800 0.006 0.000 2.278 99 G HA2 -0.201 3.772 3.960 0.021 0.000 0.265 99 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.265 99 G C -0.989 173.924 174.900 0.021 0.000 1.329 99 G CA -0.358 44.749 45.100 0.013 0.000 1.017 99 G HN -0.185 8.138 8.290 0.055 0.000 0.472 100 A N -0.185 122.643 122.820 0.015 0.000 1.930 100 A HA 0.000 4.325 4.320 0.009 0.000 0.215 100 A C 0.448 178.038 177.584 0.010 0.000 1.176 100 A CA 1.505 53.548 52.037 0.010 0.000 0.632 100 A CB 0.162 19.167 19.000 0.008 0.000 0.819 100 A HN 0.220 8.377 8.150 0.012 0.000 0.445 101 E N -1.069 119.142 120.200 0.018 0.000 2.376 101 E HA 0.101 4.465 4.350 0.024 0.000 0.236 101 E C -2.078 174.552 176.600 0.050 0.000 0.962 101 E CA -1.222 55.197 56.400 0.031 0.000 0.768 101 E CB -0.018 29.702 29.700 0.034 0.000 1.236 101 E HN -0.087 8.283 8.360 0.017 0.000 0.431 102 A N 4.655 127.516 122.820 0.068 0.000 2.354 102 A HA 0.222 4.708 4.320 0.019 -0.155 0.269 102 A C -0.874 176.888 177.584 0.297 0.000 1.109 102 A CA -0.346 51.766 52.037 0.126 0.000 0.800 102 A CB 1.827 20.956 19.000 0.215 0.000 1.045 102 A HN 0.220 8.394 8.150 0.040 0.000 0.489 103 R N -1.180 119.476 120.500 0.259 0.000 2.808 103 R HA 0.919 5.793 4.340 0.594 -0.177 0.272 103 R C -1.747 174.701 176.300 0.246 0.000 0.995 103 R CA -2.741 53.576 56.100 0.361 0.000 0.917 103 R CB 4.803 35.230 30.300 0.212 0.000 1.217 103 R HN 0.557 8.855 8.270 0.047 0.000 0.471 104 I N 0.684 121.418 120.570 0.273 0.000 2.439 104 I HA 0.534 5.025 4.170 0.173 -0.218 0.285 104 I C -1.701 174.616 176.117 0.335 0.000 1.021 104 I CA -1.100 60.323 61.300 0.205 0.000 1.091 104 I CB 2.851 40.852 38.000 0.003 0.000 1.242 104 I HN 0.019 8.467 8.210 0.398 0.000 0.439 105 N N 9.216 128.069 118.700 0.255 0.000 2.419 105 N HA 0.542 5.447 4.740 0.275 0.000 0.277 105 N C -0.782 174.882 175.510 0.257 0.000 1.006 105 N CA -0.750 52.445 53.050 0.242 0.000 0.923 105 N CB 2.451 41.030 38.487 0.154 0.000 1.140 105 N HN 0.461 8.962 8.380 0.202 0.000 0.488 106 T N -0.381 114.360 114.554 0.312 0.000 2.865 106 T HA 0.742 5.350 4.350 0.204 -0.137 0.294 106 T C -1.266 173.585 174.700 0.251 0.000 1.119 106 T CA -1.875 60.403 62.100 0.296 0.000 1.007 106 T CB 3.290 72.430 68.868 0.453 0.000 1.225 106 T HN 0.606 9.049 8.240 0.339 0.000 0.515 107 Q N -0.218 119.673 119.800 0.150 0.000 2.372 107 Q HA 0.754 5.220 4.340 -0.067 -0.166 0.273 107 Q C -1.679 174.309 176.000 -0.020 0.000 1.078 107 Q CA -0.917 54.879 55.803 -0.011 0.000 0.806 107 Q CB 4.842 33.548 28.738 -0.054 0.000 1.332 107 Q HN 0.205 8.554 8.270 0.132 0.000 0.435 108 W N -1.035 120.164 121.300 -0.168 0.000 2.962 108 W HA 0.901 5.450 4.660 -0.396 -0.126 0.341 108 W C -3.068 173.265 176.519 -0.310 0.000 1.155 108 W CA -2.804 54.306 57.345 -0.392 0.000 1.165 108 W CB 3.388 32.355 29.460 -0.822 0.000 1.435 108 W HN 1.009 8.681 8.180 -0.669 0.106 0.546 109 L N -0.392 120.869 121.223 0.063 0.000 2.381 109 L HA 0.704 5.264 4.340 0.053 -0.189 0.274 109 L C -1.785 175.119 176.870 0.056 0.000 0.988 109 L CA -1.214 53.654 54.840 0.047 0.000 0.824 109 L CB 2.804 44.837 42.059 -0.043 0.000 1.263 109 L HN 0.440 8.632 8.230 -0.065 0.000 0.410 110 L N 5.786 127.091 121.223 0.136 0.000 2.318 110 L HA 0.660 5.133 4.340 -0.050 -0.163 0.277 110 L C -1.631 175.246 176.870 0.012 0.000 1.008 110 L CA -1.523 53.331 54.840 0.023 0.000 0.846 110 L CB 2.619 44.677 42.059 -0.002 0.000 1.220 110 L HN 0.668 9.020 8.230 0.203 0.000 0.423 111 T N 9.403 123.955 114.554 -0.003 0.000 2.795 111 T HA 0.546 5.089 4.350 -0.018 -0.203 0.282 111 T C -0.727 173.976 174.700 0.005 0.000 0.980 111 T CA -0.098 61.998 62.100 -0.008 0.000 1.012 111 T CB 1.601 70.463 68.868 -0.010 0.000 0.936 111 T HN 0.640 8.876 8.240 -0.007 0.000 0.457 112 S N 6.411 122.104 115.700 -0.012 0.000 2.549 112 S HA 0.436 5.060 4.470 0.034 -0.134 0.297 112 S C -0.110 174.491 174.600 0.002 0.000 1.115 112 S CA -0.260 57.941 58.200 0.003 0.000 1.059 112 S CB 2.112 65.297 63.200 -0.025 0.000 1.046 112 S HN 0.140 8.431 8.310 -0.032 0.000 0.506 113 G N 1.831 110.648 108.800 0.030 0.000 2.380 113 G HA2 -0.003 3.958 3.960 0.002 0.000 0.262 113 G HA3 -0.003 3.967 3.960 0.017 0.000 0.262 113 G C -1.146 173.741 174.900 -0.022 0.000 1.243 113 G CA 0.499 45.603 45.100 0.008 0.000 0.865 113 G HN 0.209 8.541 8.290 0.070 0.000 0.513 114 T N 0.728 115.262 114.554 -0.033 0.000 2.716 114 T HA 0.232 4.554 4.350 -0.048 0.000 0.286 114 T C -0.606 174.074 174.700 -0.032 0.000 1.052 114 T CA -1.584 60.488 62.100 -0.046 0.000 1.024 114 T CB 2.301 71.126 68.868 -0.073 0.000 1.349 114 T HN -0.212 8.012 8.240 -0.027 0.000 0.525 115 T N -2.585 111.953 114.554 -0.027 0.000 2.847 115 T HA 0.142 4.484 4.350 -0.012 0.000 0.279 115 T C 0.662 175.364 174.700 0.004 0.000 0.984 115 T CA -1.028 61.066 62.100 -0.010 0.000 0.988 115 T CB 1.019 69.884 68.868 -0.005 0.000 1.040 115 T HN -0.194 8.026 8.240 -0.034 0.000 0.528 116 E N 0.814 121.023 120.200 0.016 0.000 2.110 116 E HA -0.389 3.978 4.350 0.028 0.000 0.193 116 E C 2.177 178.815 176.600 0.063 0.000 0.988 116 E CA 2.702 59.121 56.400 0.032 0.000 0.804 116 E CB -0.315 29.402 29.700 0.029 0.000 0.745 116 E HN 0.420 8.788 8.360 0.012 0.000 0.458 117 A N -0.576 122.283 122.820 0.065 0.000 1.940 117 A HA -0.173 4.220 4.320 0.121 0.000 0.219 117 A C 0.941 178.637 177.584 0.186 0.000 1.176 117 A CA 2.434 54.539 52.037 0.112 0.000 0.631 117 A CB -0.606 18.445 19.000 0.085 0.000 0.814 117 A HN 0.170 8.333 8.150 0.045 0.014 0.446 118 N N -3.588 115.159 118.700 0.078 0.000 2.251 118 N HA 0.178 4.919 4.740 0.002 0.000 0.217 118 N C 0.500 175.899 175.510 -0.186 0.000 1.124 118 N CA -0.668 52.348 53.050 -0.056 0.000 0.843 118 N CB 0.243 38.660 38.487 -0.116 0.000 1.024 118 N HN -0.661 7.742 8.380 0.038 0.000 0.501 119 A N 1.335 124.140 122.820 -0.024 0.000 2.019 119 A HA -0.075 4.199 4.320 -0.076 0.000 0.219 119 A C 1.608 179.171 177.584 -0.036 0.000 1.164 119 A CA 2.763 54.780 52.037 -0.033 0.000 0.644 119 A CB -0.422 18.597 19.000 0.031 0.000 0.805 119 A HN -0.475 7.527 8.150 0.060 0.184 0.449 120 W N -4.878 116.419 121.300 -0.006 0.000 2.364 120 W HA -0.240 4.415 4.660 -0.008 0.000 0.281 120 W C -0.332 176.183 176.519 -0.008 0.000 1.219 120 W CA 0.798 58.138 57.345 -0.007 0.000 1.220 120 W CB -0.906 28.549 29.460 -0.008 0.000 1.127 120 W HN -0.062 8.243 8.180 0.253 0.026 0.556 121 K N -2.367 117.537 120.400 -0.827 0.000 2.832 121 K HA 0.318 4.340 4.320 -0.497 0.000 0.211 121 K C -0.138 176.222 176.600 -0.400 0.000 1.112 121 K CA -0.659 55.162 56.287 -0.776 0.000 1.108 121 K CB -0.168 31.516 32.500 -1.361 0.000 0.899 121 K HN -0.767 6.848 8.250 -1.000 0.035 0.464 122 S N -0.059 115.496 115.700 -0.242 0.000 2.486 122 S HA -0.019 4.355 4.470 -0.160 0.000 0.220 122 S C -0.488 174.057 174.600 -0.091 0.000 1.011 122 S CA 1.199 59.311 58.200 -0.146 0.000 0.921 122 S CB 1.134 64.277 63.200 -0.095 0.000 0.785 122 S HN -0.360 7.765 8.310 -0.199 0.065 0.517 123 T N 4.847 119.355 114.554 -0.075 0.000 2.779 123 T HA 0.532 5.095 4.350 -0.026 -0.228 0.280 123 T C -0.382 174.299 174.700 -0.032 0.000 0.987 123 T CA 0.345 62.421 62.100 -0.040 0.000 0.966 123 T CB 1.758 70.608 68.868 -0.030 0.000 0.933 123 T HN -0.691 7.498 8.240 -0.086 0.000 0.442 124 L N 4.903 126.132 121.223 0.011 0.000 2.344 124 L HA 0.464 4.790 4.340 -0.024 0.000 0.272 124 L C -1.373 175.481 176.870 -0.026 0.000 1.035 124 L CA -0.832 54.025 54.840 0.029 0.000 0.807 124 L CB 2.682 44.830 42.059 0.148 0.000 1.237 124 L HN 0.497 8.749 8.230 0.037 0.000 0.442 125 V N 0.939 120.709 119.914 -0.241 0.000 2.823 125 V HA 1.053 5.062 4.120 -0.533 -0.209 0.312 125 V C -1.486 174.015 176.094 -0.987 0.000 1.072 125 V CA -2.853 59.136 62.300 -0.518 0.000 0.937 125 V CB 3.311 34.962 31.823 -0.288 0.000 1.013 125 V HN 0.008 8.077 8.190 -0.201 0.000 0.430 126 G N 4.735 112.541 108.800 -1.657 0.000 2.619 126 G HA2 0.257 3.722 3.960 -0.826 0.000 0.305 126 G HA3 0.257 2.912 3.960 -2.175 0.000 0.305 126 G C -3.343 170.792 174.900 -1.275 0.000 1.330 126 G CA 0.363 44.493 45.100 -1.618 0.000 0.789 126 G HN 0.029 7.375 8.290 -1.573 0.000 0.487 127 H N -3.975 114.753 119.070 -0.571 0.000 2.894 127 H HA 0.528 5.083 4.556 -0.156 -0.093 0.367 127 H C -1.790 173.668 175.328 0.216 0.000 1.144 127 H CA -1.596 54.369 56.048 -0.138 0.000 1.180 127 H CB 3.491 33.200 29.762 -0.088 0.000 1.758 127 H HN 0.079 7.772 8.280 -0.979 0.000 0.541 128 D N 1.652 122.301 120.400 0.416 0.000 2.671 128 D HA 0.330 5.203 4.640 0.171 -0.130 0.232 128 D C -1.041 175.367 176.300 0.180 0.000 1.114 128 D CA -0.457 53.705 54.000 0.270 0.000 0.858 128 D CB 4.651 45.614 40.800 0.271 0.000 1.544 128 D HN 0.105 8.656 8.370 0.473 0.103 0.471 129 T N 4.219 118.777 114.554 0.007 0.000 2.812 129 T HA 0.592 5.241 4.350 0.235 -0.158 0.282 129 T C -1.155 173.524 174.700 -0.036 0.000 0.990 129 T CA -0.108 62.051 62.100 0.099 0.000 0.960 129 T CB 1.719 70.667 68.868 0.134 0.000 0.948 129 T HN 0.245 8.735 8.240 -0.054 -0.282 0.438 130 F N 6.547 126.679 119.950 0.303 0.000 2.450 130 F HA 0.625 5.573 4.527 0.373 -0.197 0.332 130 F C -0.037 176.063 175.800 0.500 0.000 1.093 130 F CA -1.463 56.772 58.000 0.391 0.000 1.003 130 F CB 3.213 42.445 39.000 0.387 0.000 1.151 130 F HN 0.794 9.410 8.300 0.527 0.000 0.474 131 T N 4.353 119.298 114.554 0.652 0.000 2.807 131 T HA 0.407 5.040 4.350 0.472 0.000 0.279 131 T C -1.166 173.722 174.700 0.314 0.000 0.993 131 T CA -0.495 61.879 62.100 0.456 0.000 0.970 131 T CB 2.149 71.178 68.868 0.269 0.000 0.950 131 T HN 1.005 9.502 8.240 0.605 0.106 0.441 132 K N 7.219 127.548 120.400 -0.120 0.000 2.218 132 K HA 0.164 3.962 4.320 -1.086 -0.129 0.276 132 K C -0.412 175.981 176.600 -0.345 0.000 1.022 132 K CA -0.334 55.461 56.287 -0.820 0.000 0.946 132 K CB 1.185 32.856 32.500 -1.381 0.000 1.000 132 K HN -0.333 7.923 8.250 0.010 0.000 0.468 133 V N 8.318 128.035 119.914 -0.328 0.000 2.304 133 V HA 0.036 4.113 4.120 -0.072 0.000 0.269 133 V C -2.109 173.865 176.094 -0.201 0.000 1.036 133 V CA -0.470 61.754 62.300 -0.128 0.000 0.840 133 V CB -0.056 31.783 31.823 0.027 0.000 1.036 133 V HN 0.401 8.289 8.190 -0.503 0.000 0.466 134 K N 6.278 126.579 120.400 -0.165 0.000 2.541 134 K HA 0.489 4.719 4.320 -0.151 0.000 0.250 134 K C -2.720 173.825 176.600 -0.092 0.000 0.950 134 K CA -3.027 53.170 56.287 -0.150 0.000 0.805 134 K CB 1.089 33.487 32.500 -0.169 0.000 1.166 134 K HN -0.339 7.832 8.250 -0.130 0.000 0.430 135 P HA 0.000 4.366 4.420 -0.090 0.000 0.216 135 P CA 0.000 63.057 63.100 -0.072 0.000 0.800 135 P CB 0.000 31.668 31.700 -0.054 0.000 0.726