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 2rtl_1_A 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 4.079 4.320 -0.402 0.000 0.244 13 A C 0.000 177.469 177.584 -0.192 0.000 1.274 13 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 13 A CB 0.000 19.087 19.000 0.145 0.000 0.831 14 E N -0.344 119.676 120.200 -0.300 0.000 3.883 14 E HA -0.604 3.356 4.350 -0.651 0.000 0.217 14 E C 1.044 177.518 176.600 -0.211 0.000 1.230 14 E CA 3.471 59.691 56.400 -0.301 0.000 2.071 14 E CB -0.485 29.240 29.700 0.041 0.000 1.857 14 E HN 0.536 8.684 8.360 -0.353 0.000 0.270 15 A N -0.217 122.548 122.820 -0.092 0.000 1.877 15 A HA -0.243 4.035 4.320 -0.069 0.000 0.216 15 A C 1.705 179.243 177.584 -0.077 0.000 1.186 15 A CA 2.468 54.466 52.037 -0.064 0.000 0.620 15 A CB -0.655 18.334 19.000 -0.018 0.000 0.822 15 A HN -0.271 7.854 8.150 -0.041 0.000 0.443 16 G N -3.025 105.740 108.800 -0.058 0.000 2.498 16 G HA2 -0.197 3.796 3.960 0.056 0.000 0.219 16 G HA3 -0.197 3.857 3.960 0.157 0.000 0.219 16 G C 0.662 175.514 174.900 -0.081 0.000 1.119 16 G CA 1.145 46.258 45.100 0.021 0.000 0.766 16 G HN 0.120 8.385 8.290 -0.041 0.000 0.552 17 I N 0.440 120.812 120.570 -0.330 0.000 2.585 17 I HA -0.189 3.898 4.170 -0.139 0.000 0.254 17 I C -0.091 176.029 176.117 0.005 0.000 1.129 17 I CA 1.732 62.855 61.300 -0.296 0.000 1.455 17 I CB 0.367 37.984 38.000 -0.637 0.000 1.111 17 I HN -0.916 6.890 8.210 -0.349 0.194 0.433 18 T N 2.041 116.526 114.554 -0.114 0.000 2.934 18 T HA -0.310 4.190 4.350 -0.093 -0.206 0.306 18 T C 0.240 174.867 174.700 -0.121 0.000 1.042 18 T CA 3.272 65.314 62.100 -0.098 0.000 1.145 18 T CB 0.032 68.836 68.868 -0.106 0.000 0.982 18 T HN -0.386 7.749 8.240 -0.175 0.000 0.544 19 G N 6.789 115.488 108.800 -0.168 0.000 2.325 19 G HA2 -0.132 3.677 3.960 -0.251 0.000 0.285 19 G HA3 -0.132 3.590 3.960 -0.397 0.000 0.285 19 G C -3.054 171.573 174.900 -0.455 0.000 1.303 19 G CA -0.171 44.740 45.100 -0.314 0.000 0.970 19 G HN 0.288 8.497 8.290 -0.135 0.000 0.490 20 T N 2.389 116.574 114.554 -0.615 0.000 2.795 20 T HA 0.653 4.780 4.350 -0.661 -0.173 0.282 20 T C -0.680 173.385 174.700 -1.060 0.000 0.980 20 T CA 0.134 61.796 62.100 -0.731 0.000 1.012 20 T CB 1.471 70.021 68.868 -0.531 0.000 0.936 20 T HN 0.080 7.988 8.240 -0.554 0.000 0.457 21 W N 5.052 125.731 121.300 -1.035 0.000 2.736 21 W HA 0.370 4.366 4.660 -1.302 -0.117 0.335 21 W C -1.579 174.516 176.519 -0.706 0.000 1.059 21 W CA -1.482 55.345 57.345 -0.864 0.000 1.226 21 W CB 3.059 31.847 29.460 -1.121 0.000 1.416 21 W HN 0.813 8.418 8.180 -0.959 0.000 0.505 22 Y N -0.817 119.676 120.300 0.323 0.000 2.499 22 Y HA 0.882 5.813 4.550 0.295 -0.204 0.347 22 Y C -0.753 175.352 175.900 0.341 0.000 0.987 22 Y CA -2.059 56.220 58.100 0.299 0.000 1.044 22 Y CB 3.170 41.700 38.460 0.117 0.000 1.245 22 Y HN 0.932 9.465 8.280 0.422 0.000 0.461 23 N N 0.180 119.082 118.700 0.337 0.000 2.741 23 N HA 0.672 5.560 4.740 -0.042 -0.174 0.310 23 N C 1.015 176.572 175.510 0.079 0.000 1.295 23 N CA -2.866 50.176 53.050 -0.013 0.000 0.893 23 N CB 1.779 40.033 38.487 -0.387 0.000 1.247 23 N HN -0.285 8.316 8.380 0.368 0.000 0.596 24 Q N -0.884 118.934 119.800 0.031 0.000 1.993 24 Q HA -0.283 4.093 4.340 0.060 0.000 0.202 24 Q C 1.700 177.738 176.000 0.064 0.000 0.984 24 Q CA 2.527 58.362 55.803 0.055 0.000 0.837 24 Q CB -0.167 28.602 28.738 0.052 0.000 0.902 24 Q HN 0.294 8.550 8.270 -0.024 0.000 0.423 25 L N -4.192 117.072 121.223 0.069 0.000 2.197 25 L HA -0.295 4.084 4.340 0.064 0.000 0.215 25 L C 1.232 178.155 176.870 0.088 0.000 1.095 25 L CA 1.487 56.374 54.840 0.079 0.000 0.764 25 L CB -0.024 42.094 42.059 0.097 0.000 0.897 25 L HN -0.263 8.003 8.230 0.060 0.000 0.436 26 G N -6.155 102.712 108.800 0.112 0.000 2.255 26 G HA2 -0.294 3.738 3.960 0.120 0.000 0.196 26 G HA3 -0.294 3.722 3.960 0.094 0.000 0.196 26 G C -0.380 174.616 174.900 0.159 0.000 0.998 26 G CA -0.463 44.710 45.100 0.122 0.000 0.656 26 G HN 0.148 8.770 8.290 0.121 -0.259 0.490 27 S N 4.135 119.937 115.700 0.170 0.000 2.558 27 S HA -0.158 4.342 4.470 0.051 0.000 0.287 27 S C -0.748 173.912 174.600 0.100 0.000 1.321 27 S CA 2.143 60.410 58.200 0.113 0.000 1.048 27 S CB 0.602 63.951 63.200 0.249 0.000 0.844 27 S HN -0.453 8.047 8.310 0.178 -0.083 0.512 28 T N 3.052 117.531 114.554 -0.126 0.000 2.912 28 T HA 1.039 5.535 4.350 -0.105 -0.210 0.299 28 T C -1.536 173.015 174.700 -0.247 0.000 1.052 28 T CA -0.472 61.537 62.100 -0.152 0.000 0.996 28 T CB 3.395 72.204 68.868 -0.099 0.000 1.070 28 T HN 0.252 8.306 8.240 -0.309 0.000 0.465 29 F N 1.427 121.141 119.950 -0.394 0.000 2.619 29 F HA 0.923 5.592 4.527 -0.314 -0.330 0.308 29 F C -3.290 172.326 175.800 -0.307 0.000 1.097 29 F CA -2.260 55.514 58.000 -0.376 0.000 0.953 29 F CB 3.689 42.397 39.000 -0.487 0.000 1.287 29 F HN 0.679 8.683 8.300 -0.493 0.000 0.446 30 I N 0.589 121.077 120.570 -0.137 0.000 2.433 30 I HA 0.736 4.894 4.170 -0.341 -0.192 0.292 30 I C -1.967 174.107 176.117 -0.072 0.000 1.001 30 I CA -1.247 59.932 61.300 -0.201 0.000 1.119 30 I CB 2.684 40.593 38.000 -0.152 0.000 1.289 30 I HN 0.710 8.915 8.210 -0.009 0.000 0.438 31 V N 7.576 127.433 119.914 -0.095 0.000 3.007 31 V HA 0.756 5.010 4.120 -0.052 -0.165 0.311 31 V C -2.216 173.829 176.094 -0.081 0.000 1.120 31 V CA -2.690 59.577 62.300 -0.054 0.000 0.980 31 V CB 5.310 37.131 31.823 -0.003 0.000 1.033 31 V HN 0.750 8.843 8.190 -0.161 0.000 0.429 32 T N 9.213 123.722 114.554 -0.075 0.000 2.812 32 T HA 0.292 4.592 4.350 -0.084 0.000 0.282 32 T C -2.083 172.572 174.700 -0.075 0.000 0.990 32 T CA -0.588 61.469 62.100 -0.071 0.000 0.960 32 T CB 1.716 70.556 68.868 -0.046 0.000 0.948 32 T HN 0.476 8.675 8.240 -0.067 0.000 0.438 33 A N 8.054 130.804 122.820 -0.117 0.000 2.280 33 A HA 0.735 5.176 4.320 -0.088 -0.173 0.320 33 A C -0.610 176.997 177.584 0.039 0.000 1.366 33 A CA -1.881 50.062 52.037 -0.156 0.000 0.938 33 A CB 0.818 19.500 19.000 -0.531 0.000 1.157 33 A HN 0.319 8.394 8.150 -0.125 0.000 0.536 34 G N 1.498 110.390 108.800 0.153 0.000 2.539 34 G HA2 -0.012 3.992 3.960 0.073 0.000 0.258 34 G HA3 -0.012 4.007 3.960 0.098 0.000 0.258 34 G C 0.003 175.008 174.900 0.175 0.000 1.202 34 G CA -1.214 43.962 45.100 0.126 0.000 0.851 34 G HN 0.306 8.597 8.290 0.182 0.109 0.556 35 A N 1.833 124.711 122.820 0.097 0.000 1.927 35 A HA -0.232 4.362 4.320 0.099 -0.214 0.220 35 A C 0.072 177.673 177.584 0.030 0.000 1.185 35 A CA 2.267 54.348 52.037 0.073 0.000 0.639 35 A CB -0.360 18.663 19.000 0.037 0.000 0.820 35 A HN 0.550 8.740 8.150 0.067 0.000 0.451 36 D N -1.769 118.634 120.400 0.006 0.000 2.894 36 D HA -0.036 4.560 4.640 -0.074 0.000 0.248 36 D C -0.197 176.025 176.300 -0.129 0.000 1.291 36 D CA -0.385 53.581 54.000 -0.056 0.000 0.840 36 D CB -0.478 40.303 40.800 -0.030 0.000 1.044 36 D HN -0.286 8.081 8.370 0.028 0.020 0.484 37 G N -0.749 107.889 108.800 -0.270 0.000 2.148 37 G HA2 -0.462 2.562 3.960 -1.561 0.000 0.254 37 G HA3 -0.462 3.233 3.960 -0.441 0.000 0.254 37 G C -1.913 172.925 174.900 -0.103 0.000 0.981 37 G CA 0.430 45.193 45.100 -0.562 0.000 0.670 37 G HN -0.373 7.708 8.290 -0.215 0.080 0.528 38 A N -0.787 122.093 122.820 0.100 0.000 2.302 38 A HA 0.327 4.711 4.320 0.107 0.000 0.285 38 A C -1.488 176.230 177.584 0.224 0.000 1.105 38 A CA -1.336 50.786 52.037 0.141 0.000 0.816 38 A CB 2.095 21.140 19.000 0.076 0.000 1.067 38 A HN -0.358 7.803 8.150 0.091 0.044 0.489 39 L N 1.280 122.589 121.223 0.143 0.000 2.406 39 L HA 0.927 5.501 4.340 0.031 -0.215 0.272 39 L C -0.531 176.347 176.870 0.013 0.000 0.980 39 L CA -1.417 53.461 54.840 0.063 0.000 0.831 39 L CB 2.914 45.003 42.059 0.049 0.000 1.253 39 L HN 0.026 8.326 8.230 0.116 0.000 0.406 40 T N -0.547 113.996 114.554 -0.019 0.000 2.909 40 T HA 0.863 5.352 4.350 -0.025 -0.153 0.299 40 T C -0.639 174.032 174.700 -0.048 0.000 1.073 40 T CA -2.173 59.912 62.100 -0.026 0.000 0.999 40 T CB 3.196 72.059 68.868 -0.008 0.000 1.098 40 T HN 0.399 8.623 8.240 -0.027 0.000 0.477 41 G N 0.430 109.201 108.800 -0.048 0.000 2.356 41 G HA2 0.445 4.384 3.960 -0.034 0.000 0.281 41 G HA3 0.445 4.561 3.960 -0.049 -0.185 0.281 41 G C -2.557 172.331 174.900 -0.020 0.000 1.246 41 G CA 0.931 46.006 45.100 -0.041 0.000 0.889 41 G HN -0.114 8.152 8.290 -0.041 0.000 0.486 42 T N -1.982 112.574 114.554 0.005 0.000 2.909 42 T HA 0.871 5.433 4.350 0.070 -0.170 0.299 42 T C -2.522 172.246 174.700 0.114 0.000 1.073 42 T CA -1.834 60.300 62.100 0.057 0.000 0.999 42 T CB 3.593 72.487 68.868 0.042 0.000 1.098 42 T HN 0.312 8.552 8.240 0.001 0.000 0.477 43 Y N 3.641 123.975 120.300 0.057 0.000 2.393 43 Y HA 0.517 5.288 4.550 0.125 -0.145 0.341 43 Y C -2.496 173.550 175.900 0.243 0.000 0.988 43 Y CA -2.112 56.062 58.100 0.122 0.000 1.078 43 Y CB 3.424 41.916 38.460 0.054 0.000 1.203 43 Y HN 0.844 9.301 8.280 0.296 0.000 0.453 44 E N 6.370 126.558 120.200 -0.020 0.000 2.210 44 E HA 0.638 5.412 4.350 0.347 -0.215 0.266 44 E C -0.460 176.201 176.600 0.102 0.000 0.883 44 E CA -2.745 53.745 56.400 0.150 0.000 0.761 44 E CB 2.710 32.434 29.700 0.039 0.000 1.156 44 E HN 0.925 9.040 8.360 -0.408 0.000 0.412 45 S N 4.482 120.421 115.700 0.399 0.000 2.600 45 S HA -0.042 4.735 4.470 0.511 0.000 0.265 45 S C -0.702 174.010 174.600 0.186 0.000 1.325 45 S CA 1.386 59.816 58.200 0.382 0.000 1.002 45 S CB 0.474 63.921 63.200 0.412 0.000 0.921 45 S HN 0.321 8.935 8.310 0.507 0.000 0.554 46 A N 2.080 125.001 122.820 0.168 0.000 1.817 46 A HA 0.198 4.573 4.320 0.092 0.000 0.204 46 A C -0.208 177.426 177.584 0.083 0.000 1.741 46 A CA 1.152 53.255 52.037 0.110 0.000 1.196 46 A CB 1.027 20.093 19.000 0.111 0.000 1.211 46 A HN 0.496 8.774 8.150 0.213 0.000 0.450 47 V N -4.237 115.723 119.914 0.077 0.000 3.380 47 V HA 0.222 4.358 4.120 0.027 0.000 0.277 47 V C 0.301 176.380 176.094 -0.024 0.000 1.590 47 V CA -0.008 62.310 62.300 0.029 0.000 1.019 47 V CB 0.139 31.981 31.823 0.032 0.000 0.828 47 V HN -0.202 8.054 8.190 0.110 0.000 0.427 48 G N 3.064 111.817 108.800 -0.077 0.000 2.606 48 G HA2 0.002 3.876 3.960 -0.142 0.000 0.262 48 G HA3 0.002 3.786 3.960 -0.292 0.000 0.262 48 G C -0.994 173.786 174.900 -0.200 0.000 1.394 48 G CA -0.563 44.426 45.100 -0.185 0.000 1.044 48 G HN -0.527 7.735 8.290 -0.048 0.000 0.553 49 N N 1.285 119.815 118.700 -0.283 0.000 3.111 49 N HA -0.070 4.603 4.740 -0.112 0.000 0.302 49 N C -1.638 173.717 175.510 -0.257 0.000 1.317 49 N CA -0.609 52.316 53.050 -0.207 0.000 1.151 49 N CB -0.436 37.938 38.487 -0.188 0.000 1.456 49 N HN 0.154 8.324 8.380 -0.350 0.000 0.547 50 A N -0.408 122.282 122.820 -0.216 0.000 2.413 50 A HA 0.354 4.692 4.320 0.029 0.000 0.307 50 A C -1.941 175.772 177.584 0.214 0.000 1.087 50 A CA -1.327 50.664 52.037 -0.076 0.000 0.750 50 A CB 3.398 22.190 19.000 -0.347 0.000 1.296 50 A HN 0.170 8.103 8.150 -0.162 0.119 0.423 51 E N 2.985 123.478 120.200 0.489 0.000 2.343 51 E HA 0.204 4.684 4.350 0.218 0.000 0.286 51 E C -1.867 174.886 176.600 0.255 0.000 0.915 51 E CA 0.103 56.674 56.400 0.286 0.000 0.784 51 E CB 2.631 32.439 29.700 0.179 0.000 1.251 51 E HN 0.607 9.520 8.360 0.922 0.000 0.407 52 S N 1.616 117.400 115.700 0.140 0.000 3.701 52 S HA -0.313 4.142 4.470 -0.026 0.000 0.633 52 S C -1.243 173.379 174.600 0.038 0.000 2.263 52 S CA 1.076 59.263 58.200 -0.022 0.000 2.658 52 S CB -0.309 62.758 63.200 -0.222 0.000 0.323 52 S HN 0.136 8.534 8.310 0.147 0.000 1.605 53 R N 2.084 122.491 120.500 -0.155 0.000 2.474 53 R HA 0.730 5.433 4.340 0.198 -0.244 0.295 53 R C -0.595 175.491 176.300 -0.357 0.000 0.980 53 R CA -0.487 55.574 56.100 -0.066 0.000 0.934 53 R CB 2.258 32.544 30.300 -0.024 0.000 1.101 53 R HN -0.047 8.103 8.270 -0.200 0.000 0.469 54 Y N -0.282 120.127 120.300 0.181 0.000 2.545 54 Y HA 0.210 4.815 4.550 0.091 0.000 0.348 54 Y C -0.752 175.169 175.900 0.036 0.000 1.002 54 Y CA -1.466 56.693 58.100 0.098 0.000 1.039 54 Y CB 3.109 41.597 38.460 0.047 0.000 1.271 54 Y HN 0.554 9.086 8.280 0.420 0.000 0.467 55 V N 1.844 121.840 119.914 0.137 0.000 2.686 55 V HA -0.023 4.247 4.120 0.047 -0.122 0.295 55 V C -0.663 175.440 176.094 0.015 0.000 1.055 55 V CA 1.594 63.927 62.300 0.055 0.000 1.050 55 V CB 0.353 32.195 31.823 0.031 0.000 0.984 55 V HN 0.801 9.081 8.190 0.149 0.000 0.482 56 L N 2.599 123.814 121.223 -0.013 0.000 2.381 56 L HA 1.067 5.577 4.340 -0.023 -0.184 0.268 56 L C -1.596 175.255 176.870 -0.031 0.000 0.997 56 L CA -1.591 53.222 54.840 -0.045 0.000 0.818 56 L CB 4.237 46.194 42.059 -0.170 0.000 1.310 56 L HN 0.324 8.548 8.230 -0.011 0.000 0.416 57 T N 2.440 117.005 114.554 0.018 0.000 2.933 57 T HA 0.730 5.258 4.350 0.012 -0.171 0.305 57 T C -1.332 173.428 174.700 0.100 0.000 1.092 57 T CA -1.392 60.728 62.100 0.034 0.000 1.008 57 T CB 2.237 71.120 68.868 0.024 0.000 1.102 57 T HN -0.056 8.218 8.240 0.057 0.000 0.469 58 G N 3.582 112.445 108.800 0.105 0.000 2.634 58 G HA2 0.680 4.724 3.960 0.141 0.000 0.309 58 G HA3 0.680 4.943 3.960 0.246 -0.156 0.309 58 G C -2.918 172.068 174.900 0.143 0.000 1.299 58 G CA 0.599 45.796 45.100 0.161 0.000 0.798 58 G HN 0.652 8.987 8.290 0.074 0.000 0.490 59 R N -3.698 116.904 120.500 0.170 0.000 2.739 59 R HA 1.151 5.791 4.340 0.175 -0.195 0.271 59 R C -1.698 174.743 176.300 0.236 0.000 1.010 59 R CA -2.261 53.933 56.100 0.157 0.000 0.897 59 R CB 4.907 35.245 30.300 0.063 0.000 1.236 59 R HN 0.265 8.650 8.270 0.191 0.000 0.466 60 Y N -2.978 117.348 120.300 0.042 0.000 2.677 60 Y HA 0.646 5.359 4.550 0.062 -0.126 0.334 60 Y C -2.049 173.873 175.900 0.035 0.000 1.154 60 Y CA -2.657 55.470 58.100 0.045 0.000 1.070 60 Y CB 2.321 40.797 38.460 0.027 0.000 1.294 60 Y HN 0.458 8.728 8.280 -0.016 0.000 0.475 61 D N 0.633 121.042 120.400 0.016 0.000 2.339 61 D HA 0.160 4.704 4.640 -0.159 0.000 0.241 61 D C 0.443 176.639 176.300 -0.173 0.000 1.183 61 D CA -1.587 52.360 54.000 -0.088 0.000 0.859 61 D CB 0.507 41.335 40.800 0.047 0.000 1.067 61 D HN -0.167 8.350 8.370 0.245 0.000 0.484 62 S N 4.114 119.573 115.700 -0.401 0.000 2.481 62 S HA -0.225 4.150 4.470 -0.158 0.000 0.231 62 S C -0.421 174.171 174.600 -0.013 0.000 0.996 62 S CA 1.712 59.752 58.200 -0.268 0.000 0.942 62 S CB 0.276 63.280 63.200 -0.326 0.000 0.768 62 S HN 0.160 8.232 8.310 -0.396 0.000 0.520 63 A N 2.284 125.095 122.820 -0.016 0.000 2.978 63 A HA 0.424 4.771 4.320 0.046 0.000 0.341 63 A C -3.128 174.483 177.584 0.044 0.000 1.105 63 A CA -3.078 48.974 52.037 0.024 0.000 0.819 63 A CB 0.201 19.203 19.000 0.004 0.000 1.080 63 A HN -0.226 8.047 8.150 -0.055 -0.155 0.476 64 P HA 0.019 4.677 4.420 0.081 -0.189 0.288 64 P C -1.563 175.780 177.300 0.071 0.000 1.291 64 P CA -0.434 62.722 63.100 0.093 0.000 0.766 64 P CB 1.461 33.247 31.700 0.143 0.000 1.242 65 A N -2.595 120.266 122.820 0.069 0.000 2.256 65 A HA 0.074 4.421 4.320 0.046 0.000 0.318 65 A C 0.558 178.176 177.584 0.055 0.000 1.103 65 A CA -0.898 51.171 52.037 0.053 0.000 0.860 65 A CB 1.599 20.626 19.000 0.044 0.000 1.182 65 A HN -0.001 8.195 8.150 0.077 0.000 0.501 66 T N -2.468 112.113 114.554 0.045 0.000 3.256 66 T HA 0.142 4.523 4.350 0.051 0.000 0.237 66 T C -1.225 173.497 174.700 0.037 0.000 0.908 66 T CA -0.962 61.164 62.100 0.043 0.000 0.966 66 T CB -0.708 68.182 68.868 0.037 0.000 1.134 66 T HN 0.057 8.409 8.240 0.038 -0.089 0.573 67 D N -0.013 120.410 120.400 0.038 0.000 2.714 67 D HA 0.162 4.680 4.640 0.028 0.139 0.278 67 D C 0.134 176.453 176.300 0.033 0.000 1.102 67 D CA -1.680 52.338 54.000 0.031 0.000 1.108 67 D CB 1.751 42.568 40.800 0.028 0.000 1.444 67 D HN -0.776 7.926 8.370 0.044 -0.305 0.568 68 G N -2.372 106.444 108.800 0.026 0.000 3.455 68 G HA2 -0.010 3.964 3.960 0.025 0.000 0.250 68 G HA3 -0.010 3.960 3.960 0.018 0.000 0.250 68 G C -0.688 174.226 174.900 0.023 0.000 1.071 68 G CA -0.076 45.037 45.100 0.023 0.000 1.812 68 G HN -0.003 8.301 8.290 0.023 0.000 0.643 69 S N 0.460 116.180 115.700 0.034 0.000 2.690 69 S HA 0.081 4.569 4.470 0.030 0.000 0.291 69 S C -0.473 174.156 174.600 0.048 0.000 1.138 69 S CA 0.167 58.390 58.200 0.038 0.000 1.013 69 S CB 2.810 66.037 63.200 0.044 0.000 1.053 69 S HN -0.324 8.006 8.310 0.040 0.004 0.539 70 G N -0.301 108.530 108.800 0.052 0.000 2.528 70 G HA2 0.246 4.337 3.960 0.046 0.000 0.289 70 G HA3 0.246 4.401 3.960 0.061 -0.159 0.289 70 G C -1.081 173.894 174.900 0.126 0.000 1.192 70 G CA -0.728 44.414 45.100 0.070 0.000 0.921 70 G HN -0.136 8.250 8.290 0.047 -0.068 0.512 71 T N 3.825 118.499 114.554 0.200 0.000 2.743 71 T HA 0.119 4.579 4.350 0.184 0.000 0.292 71 T C -0.943 173.884 174.700 0.212 0.000 0.972 71 T CA 0.234 62.473 62.100 0.232 0.000 0.967 71 T CB 0.991 70.058 68.868 0.331 0.000 0.926 71 T HN 0.137 8.517 8.240 0.233 0.000 0.459 72 A N 8.310 131.228 122.820 0.164 0.000 2.425 72 A HA 0.611 5.201 4.320 0.141 -0.185 0.249 72 A C -1.444 176.248 177.584 0.179 0.000 1.084 72 A CA -0.605 51.519 52.037 0.144 0.000 0.781 72 A CB 1.117 20.177 19.000 0.099 0.000 1.019 72 A HN 0.749 8.984 8.150 0.141 0.000 0.490 73 L N -4.561 116.768 121.223 0.176 0.000 2.765 73 L HA 1.003 5.580 4.340 0.206 -0.114 0.263 73 L C -1.725 175.248 176.870 0.173 0.000 1.068 73 L CA -1.399 53.569 54.840 0.213 0.000 0.903 73 L CB 3.748 45.971 42.059 0.272 0.000 1.512 73 L HN 0.522 8.844 8.230 0.153 0.000 0.404 74 G N -3.851 105.072 108.800 0.205 0.000 2.632 74 G HA2 0.743 4.837 3.960 -0.034 0.000 0.292 74 G HA3 0.743 4.731 3.960 0.047 0.000 0.292 74 G C -3.448 171.600 174.900 0.247 0.000 1.465 74 G CA 0.773 45.936 45.100 0.105 0.000 0.824 74 G HN -0.055 8.387 8.290 0.254 0.000 0.509 75 W N -3.171 118.159 121.300 0.050 0.000 3.074 75 W HA 0.737 5.501 4.660 -0.010 -0.110 0.332 75 W C -3.048 173.523 176.519 0.087 0.000 1.253 75 W CA -1.768 55.575 57.345 -0.003 0.000 1.180 75 W CB 2.203 31.566 29.460 -0.162 0.000 1.445 75 W HN 0.453 8.476 8.180 -0.261 0.000 0.573 76 T N 1.275 115.973 114.554 0.240 0.000 2.893 76 T HA 0.902 5.509 4.350 0.082 -0.207 0.291 76 T C -1.476 173.273 174.700 0.082 0.000 1.028 76 T CA -0.494 61.672 62.100 0.110 0.000 0.995 76 T CB 3.118 71.992 68.868 0.010 0.000 1.051 76 T HN 0.578 8.978 8.240 0.267 0.000 0.470 77 V N 4.315 124.171 119.914 -0.096 0.000 2.569 77 V HA 0.363 4.466 4.120 -0.270 -0.146 0.301 77 V C -2.277 173.393 176.094 -0.706 0.000 1.044 77 V CA -1.277 60.767 62.300 -0.428 0.000 0.874 77 V CB 3.653 34.993 31.823 -0.805 0.000 1.002 77 V HN 0.596 8.710 8.190 -0.127 0.000 0.424 78 A N 5.435 127.960 122.820 -0.492 0.000 2.274 78 A HA 0.523 4.746 4.320 -0.352 -0.115 0.309 78 A C -0.056 177.289 177.584 -0.398 0.000 1.226 78 A CA -1.653 50.176 52.037 -0.346 0.000 0.853 78 A CB 1.517 20.441 19.000 -0.127 0.000 1.146 78 A HN 0.684 8.640 8.150 -0.323 0.000 0.518 79 W N 5.838 127.069 121.300 -0.116 0.000 1.395 79 W HA 0.013 4.320 4.660 -0.588 0.000 0.451 79 W C -1.753 174.819 176.519 0.089 0.000 0.619 79 W CA -0.818 56.389 57.345 -0.229 0.000 2.212 79 W CB -0.739 28.548 29.460 -0.288 0.000 1.537 79 W HN 0.768 8.881 8.180 -0.112 0.000 0.275 80 K N 1.290 121.926 120.400 0.394 0.000 2.482 80 K HA 0.750 5.503 4.320 0.361 -0.217 0.251 80 K C -1.758 175.048 176.600 0.344 0.000 0.936 80 K CA -1.154 55.337 56.287 0.339 0.000 0.791 80 K CB 3.092 35.678 32.500 0.144 0.000 1.213 80 K HN -0.292 8.068 8.250 0.322 0.083 0.428 81 N N 4.650 123.500 118.700 0.249 0.000 3.439 81 N HA 0.242 5.023 4.740 0.067 0.000 0.313 81 N C -0.141 175.408 175.510 0.065 0.000 1.598 81 N CA -0.990 52.109 53.050 0.083 0.000 0.830 81 N CB 0.794 39.195 38.487 -0.143 0.000 1.849 81 N HN 0.805 9.347 8.380 0.269 0.000 0.598 82 N N -1.489 117.228 118.700 0.027 0.000 2.521 82 N HA 0.062 4.718 4.740 -0.141 0.000 0.188 82 N C -0.282 174.954 175.510 -0.457 0.000 1.146 82 N CA 2.017 54.950 53.050 -0.195 0.000 0.893 82 N CB -0.363 37.936 38.487 -0.314 0.000 0.975 82 N HN 0.281 8.706 8.380 0.076 0.000 0.451 83 Y N -2.839 117.471 120.300 0.017 0.000 2.423 83 Y HA 0.119 4.689 4.550 0.034 0.000 0.257 83 Y C -1.007 174.941 175.900 0.081 0.000 1.087 83 Y CA 0.562 58.685 58.100 0.038 0.000 1.258 83 Y CB 2.081 40.554 38.460 0.022 0.000 1.237 83 Y HN -0.128 8.605 8.280 0.247 -0.306 0.517 84 R N -0.617 120.040 120.500 0.262 0.000 2.668 84 R HA 0.223 4.687 4.340 0.207 0.000 0.272 84 R C -2.737 173.724 176.300 0.268 0.000 1.019 84 R CA -0.590 55.668 56.100 0.263 0.000 0.894 84 R CB 3.769 34.270 30.300 0.336 0.000 1.228 84 R HN -0.161 8.513 8.270 0.251 -0.254 0.460 85 N N 3.962 122.804 118.700 0.237 0.000 2.648 85 N HA 0.309 5.294 4.740 0.217 -0.116 0.261 85 N C -0.505 175.212 175.510 0.346 0.000 1.138 85 N CA -0.170 53.013 53.050 0.222 0.000 0.804 85 N CB 0.711 39.276 38.487 0.130 0.000 1.237 85 N HN 0.477 8.989 8.380 0.220 0.000 0.532 86 A N 4.129 127.136 122.820 0.312 0.000 2.208 86 A HA -0.007 4.435 4.320 0.204 0.000 0.209 86 A C 0.192 177.988 177.584 0.353 0.000 1.161 86 A CA 0.753 52.948 52.037 0.264 0.000 0.782 86 A CB 0.150 19.220 19.000 0.116 0.000 0.816 86 A HN 0.778 9.110 8.150 0.302 0.000 0.477 87 H N -2.534 116.584 119.070 0.080 0.000 2.756 87 H HA -0.377 4.212 4.556 0.056 0.000 0.315 87 H C -2.030 173.331 175.328 0.055 0.000 1.210 87 H CA 0.869 56.950 56.048 0.054 0.000 1.150 87 H CB -3.150 26.628 29.762 0.027 0.000 1.463 87 H HN -0.411 8.166 8.280 0.271 -0.134 0.427 88 S N -5.545 110.272 115.700 0.196 0.000 2.615 88 S HA 0.729 5.362 4.470 0.115 -0.094 0.269 88 S C -2.632 172.104 174.600 0.226 0.000 1.161 88 S CA -0.807 57.502 58.200 0.183 0.000 0.817 88 S CB 4.037 67.327 63.200 0.150 0.000 1.131 88 S HN -0.412 8.023 8.310 0.207 0.000 0.467 89 A N -1.651 121.259 122.820 0.151 0.000 2.574 89 A HA 0.754 5.059 4.320 -0.236 -0.127 0.297 89 A C -2.425 175.141 177.584 -0.028 0.000 1.062 89 A CA -0.176 51.839 52.037 -0.037 0.000 0.686 89 A CB 3.919 22.865 19.000 -0.090 0.000 1.285 89 A HN 0.753 8.972 8.150 0.116 0.000 0.403 90 T N 3.303 117.754 114.554 -0.171 0.000 2.863 90 T HA 1.054 5.472 4.350 -0.225 -0.203 0.285 90 T C -0.734 173.738 174.700 -0.379 0.000 1.009 90 T CA -1.187 60.726 62.100 -0.313 0.000 0.989 90 T CB 2.678 71.214 68.868 -0.552 0.000 1.004 90 T HN 0.736 8.746 8.240 -0.383 0.000 0.455 91 T N 1.506 115.830 114.554 -0.382 0.000 2.841 91 T HA 0.850 5.331 4.350 -0.134 -0.211 0.283 91 T C -1.371 173.113 174.700 -0.360 0.000 1.000 91 T CA -2.080 59.874 62.100 -0.243 0.000 0.977 91 T CB 2.700 71.488 68.868 -0.134 0.000 0.979 91 T HN 0.570 8.598 8.240 -0.353 0.000 0.446 92 W N 4.652 125.612 121.300 -0.568 0.000 2.587 92 W HA 0.503 5.178 4.660 -0.231 -0.154 0.324 92 W C -1.393 174.797 176.519 -0.548 0.000 1.040 92 W CA -1.318 55.650 57.345 -0.629 0.000 1.222 92 W CB 3.628 32.256 29.460 -1.387 0.000 1.381 92 W HN 0.845 8.867 8.180 -0.265 0.000 0.483 93 S N 1.974 117.624 115.700 -0.083 0.000 2.532 93 S HA 0.769 5.339 4.470 -0.053 -0.132 0.299 93 S C -1.060 173.556 174.600 0.027 0.000 1.105 93 S CA -1.646 56.530 58.200 -0.040 0.000 1.018 93 S CB 1.636 64.820 63.200 -0.027 0.000 1.021 93 S HN 0.795 9.096 8.310 -0.015 0.000 0.483 94 G N 3.900 112.738 108.800 0.062 0.000 2.364 94 G HA2 0.538 4.552 3.960 0.090 0.000 0.286 94 G HA3 0.538 4.775 3.960 0.145 -0.190 0.286 94 G C -3.559 171.421 174.900 0.133 0.000 1.241 94 G CA 0.871 46.037 45.100 0.110 0.000 0.887 94 G HN 0.475 8.804 8.290 0.065 0.000 0.484 95 Q N -3.196 116.694 119.800 0.149 0.000 2.416 95 Q HA 0.868 5.496 4.340 0.185 -0.177 0.281 95 Q C -2.547 173.559 176.000 0.177 0.000 1.067 95 Q CA -2.158 53.741 55.803 0.160 0.000 0.809 95 Q CB 4.539 33.346 28.738 0.116 0.000 1.418 95 Q HN 0.137 8.499 8.270 0.152 0.000 0.411 96 Y N 2.836 123.171 120.300 0.059 0.000 2.323 96 Y HA 0.679 5.396 4.550 -0.012 -0.175 0.331 96 Y C -2.284 173.656 175.900 0.066 0.000 1.092 96 Y CA -1.540 56.574 58.100 0.023 0.000 1.150 96 Y CB 2.345 40.799 38.460 -0.011 0.000 1.200 96 Y HN 0.551 8.903 8.280 0.298 0.107 0.472 97 V N 7.293 126.782 119.914 -0.708 0.000 2.588 97 V HA 0.264 4.142 4.120 -0.402 0.000 0.304 97 V C -1.296 174.293 176.094 -0.843 0.000 1.042 97 V CA -1.342 60.636 62.300 -0.536 0.000 0.877 97 V CB 3.544 35.253 31.823 -0.189 0.000 0.996 97 V HN 0.643 8.469 8.190 -0.608 0.000 0.425 98 G N 4.122 112.565 108.800 -0.594 0.000 2.753 98 G HA2 0.510 4.332 3.960 -0.231 0.000 0.285 98 G HA3 0.510 4.444 3.960 -0.044 0.000 0.285 98 G C -0.605 174.262 174.900 -0.056 0.000 1.344 98 G CA -1.646 43.305 45.100 -0.249 0.000 1.050 98 G HN 0.330 8.395 8.290 -0.376 0.000 0.532 99 G N -2.318 106.501 108.800 0.031 0.000 2.362 99 G HA2 -0.261 3.720 3.960 0.035 0.000 0.517 99 G HA3 -0.261 3.707 3.960 0.012 0.000 0.517 99 G C -0.039 174.881 174.900 0.034 0.000 1.256 99 G CA -0.808 44.309 45.100 0.028 0.000 1.027 99 G HN -0.197 8.142 8.290 0.082 0.000 0.491 100 A N 0.222 123.057 122.820 0.025 0.000 1.869 100 A HA -0.180 4.151 4.320 0.017 0.000 0.218 100 A C 0.605 178.206 177.584 0.028 0.000 1.203 100 A CA 2.139 54.189 52.037 0.021 0.000 0.638 100 A CB -0.001 19.009 19.000 0.017 0.000 0.831 100 A HN 0.276 8.438 8.150 0.021 0.000 0.450 101 E N -1.300 118.920 120.200 0.035 0.000 2.969 101 E HA 0.120 4.505 4.350 0.058 0.000 0.213 101 E C -2.053 174.592 176.600 0.074 0.000 1.107 101 E CA -1.767 54.666 56.400 0.054 0.000 1.007 101 E CB -0.959 28.770 29.700 0.048 0.000 1.326 101 E HN -0.019 8.358 8.360 0.028 0.000 0.432 102 A N 3.339 126.219 122.820 0.100 0.000 2.386 102 A HA 0.131 4.558 4.320 0.011 -0.100 0.248 102 A C -0.971 176.788 177.584 0.292 0.000 1.082 102 A CA 0.239 52.359 52.037 0.137 0.000 0.789 102 A CB 0.970 20.122 19.000 0.253 0.000 1.025 102 A HN 0.049 8.252 8.150 0.088 0.000 0.490 103 R N -3.901 116.740 120.500 0.234 0.000 2.728 103 R HA 0.704 5.527 4.340 0.607 -0.118 0.274 103 R C -2.340 174.024 176.300 0.107 0.000 1.030 103 R CA -1.044 55.241 56.100 0.308 0.000 0.876 103 R CB 3.064 33.498 30.300 0.223 0.000 1.259 103 R HN 0.627 8.796 8.270 0.007 0.105 0.468 104 I N -0.211 120.437 120.570 0.130 0.000 2.439 104 I HA 0.647 5.114 4.170 0.115 -0.228 0.285 104 I C -1.641 174.656 176.117 0.301 0.000 1.021 104 I CA -1.321 60.061 61.300 0.137 0.000 1.091 104 I CB 2.401 40.391 38.000 -0.017 0.000 1.242 104 I HN 0.449 8.816 8.210 0.261 0.000 0.439 105 N N 9.448 128.287 118.700 0.231 0.000 2.419 105 N HA 0.488 5.381 4.740 0.254 0.000 0.277 105 N C -0.982 174.678 175.510 0.250 0.000 1.006 105 N CA 0.115 53.300 53.050 0.224 0.000 0.923 105 N CB 2.513 41.083 38.487 0.138 0.000 1.140 105 N HN 0.388 8.873 8.380 0.176 0.000 0.488 106 T N -0.436 114.305 114.554 0.313 0.000 2.865 106 T HA 0.721 5.334 4.350 0.203 -0.141 0.294 106 T C -1.446 173.410 174.700 0.261 0.000 1.119 106 T CA -2.120 60.162 62.100 0.303 0.000 1.007 106 T CB 3.364 72.514 68.868 0.471 0.000 1.225 106 T HN 0.669 9.111 8.240 0.336 0.000 0.515 107 Q N -0.148 119.746 119.800 0.156 0.000 2.394 107 Q HA 0.696 5.149 4.340 -0.033 -0.133 0.273 107 Q C -1.685 174.305 176.000 -0.017 0.000 1.089 107 Q CA -0.898 54.906 55.803 0.002 0.000 0.812 107 Q CB 4.871 33.582 28.738 -0.046 0.000 1.353 107 Q HN 0.434 8.783 8.270 0.131 0.000 0.438 108 W N -1.168 120.035 121.300 -0.161 0.000 2.962 108 W HA 1.005 5.573 4.660 -0.426 -0.163 0.341 108 W C -2.940 173.393 176.519 -0.310 0.000 1.155 108 W CA -2.987 54.112 57.345 -0.409 0.000 1.165 108 W CB 3.540 32.488 29.460 -0.852 0.000 1.435 108 W HN 1.122 8.793 8.180 -0.656 0.115 0.546 109 L N -0.066 121.191 121.223 0.057 0.000 2.381 109 L HA 0.762 5.318 4.340 0.042 -0.191 0.274 109 L C -1.886 175.024 176.870 0.067 0.000 0.988 109 L CA -1.232 53.635 54.840 0.044 0.000 0.824 109 L CB 2.924 44.956 42.059 -0.046 0.000 1.263 109 L HN 0.522 8.706 8.230 -0.077 0.000 0.410 110 L N 5.440 126.751 121.223 0.146 0.000 2.319 110 L HA 0.716 5.200 4.340 -0.036 -0.165 0.281 110 L C -1.905 174.978 176.870 0.022 0.000 1.005 110 L CA -1.615 53.245 54.840 0.033 0.000 0.828 110 L CB 3.393 45.446 42.059 -0.009 0.000 1.227 110 L HN 0.881 9.235 8.230 0.207 0.000 0.415 111 T N 9.631 124.188 114.554 0.004 0.000 2.823 111 T HA 0.714 5.283 4.350 -0.013 -0.226 0.279 111 T C -0.837 173.870 174.700 0.011 0.000 0.998 111 T CA -0.510 61.587 62.100 -0.003 0.000 0.994 111 T CB 2.004 70.866 68.868 -0.010 0.000 0.960 111 T HN 0.794 9.035 8.240 0.000 0.000 0.448 112 S N 5.695 121.392 115.700 -0.005 0.000 2.537 112 S HA 0.498 5.134 4.470 0.043 -0.140 0.301 112 S C -0.288 174.319 174.600 0.011 0.000 1.092 112 S CA -0.698 57.508 58.200 0.010 0.000 1.048 112 S CB 2.885 66.071 63.200 -0.024 0.000 1.053 112 S HN 0.169 8.464 8.310 -0.025 0.000 0.501 113 G N 1.448 110.275 108.800 0.044 0.000 2.380 113 G HA2 -0.003 3.972 3.960 0.023 0.000 0.262 113 G HA3 -0.003 3.997 3.960 0.067 0.000 0.262 113 G C -1.228 173.682 174.900 0.018 0.000 1.243 113 G CA 0.404 45.528 45.100 0.040 0.000 0.865 113 G HN 0.182 8.521 8.290 0.082 0.000 0.513 114 T N 1.587 116.142 114.554 0.001 0.000 2.831 114 T HA 0.264 4.603 4.350 -0.019 0.000 0.287 114 T C -0.623 174.078 174.700 0.002 0.000 1.070 114 T CA -1.765 60.326 62.100 -0.016 0.000 1.010 114 T CB 2.360 71.198 68.868 -0.050 0.000 1.264 114 T HN -0.130 8.112 8.240 0.003 0.000 0.532 115 T N -2.730 111.825 114.554 0.001 0.000 2.824 115 T HA 0.162 4.523 4.350 0.018 0.000 0.277 115 T C 1.025 175.741 174.700 0.026 0.000 0.975 115 T CA -1.085 61.025 62.100 0.016 0.000 0.966 115 T CB 1.274 70.153 68.868 0.017 0.000 1.054 115 T HN -0.060 8.175 8.240 -0.009 0.000 0.533 116 E N 0.484 120.704 120.200 0.034 0.000 2.118 116 E HA -0.402 3.975 4.350 0.044 0.000 0.195 116 E C 2.492 179.138 176.600 0.077 0.000 0.992 116 E CA 3.119 59.547 56.400 0.047 0.000 0.804 116 E CB -0.502 29.222 29.700 0.041 0.000 0.741 116 E HN 0.431 8.809 8.360 0.030 0.000 0.458 117 A N -0.527 122.340 122.820 0.080 0.000 1.933 117 A HA -0.178 4.224 4.320 0.137 0.000 0.218 117 A C 0.719 178.426 177.584 0.205 0.000 1.175 117 A CA 2.497 54.611 52.037 0.129 0.000 0.628 117 A CB -0.764 18.295 19.000 0.099 0.000 0.814 117 A HN 0.133 8.307 8.150 0.059 0.011 0.444 118 N N -3.821 114.934 118.700 0.092 0.000 2.268 118 N HA 0.117 4.838 4.740 -0.031 0.000 0.204 118 N C 0.930 176.359 175.510 -0.137 0.000 1.124 118 N CA -0.038 52.989 53.050 -0.039 0.000 0.838 118 N CB 0.360 38.794 38.487 -0.089 0.000 0.994 118 N HN -0.640 7.757 8.380 0.055 0.016 0.489 119 A N 1.442 124.268 122.820 0.010 0.000 1.940 119 A HA -0.117 4.180 4.320 -0.039 0.000 0.219 119 A C 1.850 179.434 177.584 0.000 0.000 1.176 119 A CA 2.991 55.030 52.037 0.003 0.000 0.631 119 A CB -0.432 18.604 19.000 0.061 0.000 0.814 119 A HN -0.394 7.612 8.150 0.084 0.195 0.446 120 W N -5.086 116.212 121.300 -0.003 0.000 2.421 120 W HA -0.211 4.445 4.660 -0.006 0.000 0.270 120 W C -0.303 176.212 176.519 -0.006 0.000 1.233 120 W CA 0.707 58.048 57.345 -0.006 0.000 1.226 120 W CB -1.018 28.439 29.460 -0.006 0.000 1.121 120 W HN -0.102 8.254 8.180 0.323 0.018 0.579 121 K N -1.909 117.996 120.400 -0.825 0.000 2.593 121 K HA 0.398 4.363 4.320 -0.591 0.000 0.208 121 K C -0.013 176.349 176.600 -0.397 0.000 1.051 121 K CA -0.563 55.232 56.287 -0.820 0.000 1.111 121 K CB -0.351 31.300 32.500 -1.414 0.000 0.849 121 K HN -0.689 6.881 8.250 -0.865 0.161 0.479 122 S N -0.008 115.548 115.700 -0.240 0.000 2.496 122 S HA -0.042 4.337 4.470 -0.152 0.000 0.224 122 S C -0.655 173.893 174.600 -0.086 0.000 0.996 122 S CA 1.793 59.910 58.200 -0.138 0.000 0.927 122 S CB 0.626 63.775 63.200 -0.084 0.000 0.774 122 S HN -0.168 7.864 8.310 -0.203 0.156 0.524 123 T N 4.699 119.208 114.554 -0.075 0.000 2.786 123 T HA 0.644 5.234 4.350 -0.022 -0.252 0.283 123 T C -0.380 174.303 174.700 -0.030 0.000 0.992 123 T CA 0.259 62.337 62.100 -0.036 0.000 0.954 123 T CB 2.032 70.885 68.868 -0.025 0.000 0.934 123 T HN -0.743 7.443 8.240 -0.090 0.000 0.440 124 L N 5.196 126.428 121.223 0.015 0.000 2.344 124 L HA 0.454 4.782 4.340 -0.020 0.000 0.272 124 L C -1.302 175.560 176.870 -0.013 0.000 1.035 124 L CA -0.804 54.057 54.840 0.036 0.000 0.807 124 L CB 2.403 44.561 42.059 0.165 0.000 1.237 124 L HN 0.731 8.985 8.230 0.041 0.000 0.442 125 V N 0.743 120.522 119.914 -0.225 0.000 2.823 125 V HA 1.019 5.015 4.120 -0.537 -0.197 0.312 125 V C -1.445 174.028 176.094 -1.035 0.000 1.072 125 V CA -2.852 59.134 62.300 -0.524 0.000 0.937 125 V CB 3.348 34.995 31.823 -0.293 0.000 1.013 125 V HN 0.002 8.082 8.190 -0.183 0.000 0.430 126 G N 4.501 112.267 108.800 -1.723 0.000 2.561 126 G HA2 0.225 3.696 3.960 -0.815 0.000 0.310 126 G HA3 0.225 2.861 3.960 -2.206 0.000 0.310 126 G C -3.354 170.732 174.900 -1.357 0.000 1.292 126 G CA 0.415 44.510 45.100 -1.676 0.000 0.811 126 G HN 0.208 7.547 8.290 -1.586 0.000 0.482 127 H N -4.220 114.469 119.070 -0.635 0.000 2.980 127 H HA 0.480 5.019 4.556 -0.161 -0.080 0.367 127 H C -2.022 173.490 175.328 0.307 0.000 1.206 127 H CA -1.730 54.238 56.048 -0.134 0.000 1.126 127 H CB 3.501 33.216 29.762 -0.079 0.000 1.838 127 H HN 0.065 7.773 8.280 -0.952 0.000 0.552 128 D N -0.974 119.705 120.400 0.466 0.000 2.859 128 D HA 0.198 4.956 4.640 0.196 0.000 0.223 128 D C -1.519 174.889 176.300 0.181 0.000 1.218 128 D CA 0.026 54.209 54.000 0.305 0.000 0.850 128 D CB 4.663 45.682 40.800 0.365 0.000 1.656 128 D HN 0.127 8.677 8.370 0.474 0.105 0.484 129 T N 3.900 118.446 114.554 -0.013 0.000 2.824 129 T HA 0.675 5.350 4.350 0.229 -0.187 0.282 129 T C -1.312 173.350 174.700 -0.064 0.000 0.993 129 T CA -0.297 61.855 62.100 0.086 0.000 0.967 129 T CB 1.622 70.567 68.868 0.128 0.000 0.960 129 T HN 0.218 8.408 8.240 -0.082 0.000 0.441 130 F N 6.278 126.409 119.950 0.301 0.000 2.508 130 F HA 0.845 5.804 4.527 0.362 -0.214 0.325 130 F C -0.387 175.682 175.800 0.448 0.000 1.090 130 F CA -1.657 56.562 58.000 0.366 0.000 0.945 130 F CB 3.784 43.008 39.000 0.374 0.000 1.156 130 F HN 0.955 9.445 8.300 0.496 0.108 0.463 131 T N -3.203 111.747 114.554 0.661 0.000 2.887 131 T HA 0.606 5.340 4.350 0.639 0.000 0.292 131 T C 0.447 175.376 174.700 0.382 0.000 1.087 131 T CA -2.212 60.203 62.100 0.526 0.000 1.009 131 T CB 3.376 72.419 68.868 0.292 0.000 1.203 131 T HN 0.810 9.416 8.240 0.609 0.000 0.518 132 K N 0.878 121.318 120.400 0.066 0.000 2.426 132 K HA 0.231 4.481 4.320 -0.380 -0.158 0.193 132 K C -0.789 175.860 176.600 0.083 0.000 1.028 132 K CA 1.646 57.824 56.287 -0.183 0.000 1.047 132 K CB 0.612 32.877 32.500 -0.393 0.000 0.821 132 K HN 0.542 8.851 8.250 0.099 0.000 0.513 133 V N -1.514 118.464 119.914 0.107 0.000 2.815 133 V HA 0.181 4.251 4.120 -0.083 0.000 0.314 133 V C -2.063 173.966 176.094 -0.108 0.000 1.064 133 V CA -1.839 60.445 62.300 -0.026 0.000 0.952 133 V CB 3.638 35.449 31.823 -0.021 0.000 1.020 133 V HN -0.762 7.445 8.190 0.130 0.062 0.439 134 K N 2.275 122.442 120.400 -0.389 0.000 2.339 134 K HA 0.487 4.709 4.320 -0.163 0.000 0.264 134 K C -2.260 174.236 176.600 -0.173 0.000 0.986 134 K CA -3.216 52.846 56.287 -0.376 0.000 0.866 134 K CB 0.266 32.306 32.500 -0.766 0.000 1.103 134 K HN -0.032 7.969 8.250 -0.415 0.000 0.441 135 P HA 0.000 4.561 4.420 0.056 -0.108 0.216 135 P CA 0.000 63.110 63.100 0.017 0.000 0.800 135 P CB 0.000 31.723 31.700 0.038 0.000 0.726