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 3lgy_1_A DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRXXXX XXXXXLEIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPXXXGQTI TQGIISATXX XXXXXXXXXX DATA SEQUENCE FLQTDASINH GNSGGALVNS LGELMGINTL XXXXXXXXXX PEGIGFAIPF DATA SEQUENCE QLATKIMDKL IRD 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 39 S HA 0.000 4.465 4.470 -0.008 0.000 0.327 39 S C 0.000 174.595 174.600 -0.008 0.000 1.055 39 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 39 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 40 T N 0.290 114.840 114.554 -0.006 0.000 2.915 40 T HA -0.221 4.125 4.350 -0.007 0.000 0.269 40 T C 1.019 175.715 174.700 -0.007 0.000 1.071 40 T CA 1.422 63.518 62.100 -0.006 0.000 1.132 40 T CB 0.123 68.988 68.868 -0.005 0.000 0.878 40 T HN -0.207 8.029 8.240 -0.006 0.000 0.479 41 D N 1.315 121.711 120.400 -0.007 0.000 2.091 41 D HA -0.012 4.624 4.640 -0.007 0.000 0.199 41 D C -0.070 176.224 176.300 -0.010 0.000 0.980 41 D CA 0.762 54.757 54.000 -0.008 0.000 0.831 41 D CB -0.439 40.357 40.800 -0.007 0.000 0.987 41 D HN 0.018 8.362 8.370 -0.007 0.022 0.460 42 E N -0.011 120.182 120.200 -0.011 0.000 2.408 42 E HA -0.068 4.273 4.350 -0.015 0.000 0.259 42 E C -0.803 175.787 176.600 -0.017 0.000 1.110 42 E CA -0.177 56.215 56.400 -0.014 0.000 0.929 42 E CB 0.407 30.098 29.700 -0.014 0.000 0.971 42 E HN -0.015 8.339 8.360 -0.010 0.000 0.438 43 T N -1.591 112.950 114.554 -0.022 0.000 2.824 43 T HA 0.348 4.684 4.350 -0.024 0.000 0.280 43 T C -1.213 173.466 174.700 -0.036 0.000 0.995 43 T CA -3.451 58.632 62.100 -0.028 0.000 1.009 43 T CB 0.694 69.543 68.868 -0.031 0.000 0.955 43 T HN -0.092 8.134 8.240 -0.023 0.000 0.452 44 P HA 0.084 4.480 4.420 -0.040 0.000 0.282 44 P C -0.372 176.884 177.300 -0.073 0.000 1.262 44 P CA -0.568 62.505 63.100 -0.045 0.000 0.773 44 P CB 0.224 31.903 31.700 -0.034 0.000 0.879 45 A N 3.867 126.634 122.820 -0.089 0.000 2.584 45 A HA -0.106 4.115 4.320 -0.166 0.000 0.239 45 A C -0.299 177.164 177.584 -0.201 0.000 1.043 45 A CA 0.678 52.623 52.037 -0.153 0.000 0.756 45 A CB 0.057 18.972 19.000 -0.142 0.000 0.963 45 A HN 0.100 8.206 8.150 -0.072 0.000 0.511 46 S N 1.997 117.512 115.700 -0.308 0.000 2.588 46 S HA 0.109 4.431 4.470 -0.247 0.000 0.269 46 S C -1.105 173.218 174.600 -0.462 0.000 1.157 46 S CA -0.222 57.806 58.200 -0.287 0.000 0.824 46 S CB 0.873 64.005 63.200 -0.114 0.000 1.126 46 S HN -0.159 7.947 8.310 -0.340 0.000 0.464 47 Y N 0.771 121.070 120.300 -0.002 0.000 2.720 47 Y HA 0.184 4.732 4.550 -0.004 0.000 0.268 47 Y C -0.044 175.854 175.900 -0.003 0.000 1.142 47 Y CA -0.595 57.502 58.100 -0.003 0.000 1.193 47 Y CB 0.061 38.518 38.460 -0.004 0.000 1.176 47 Y HN 0.228 8.535 8.280 0.044 0.000 0.542 48 N N 1.740 120.484 118.700 0.072 0.000 2.166 48 N HA -0.321 4.456 4.740 0.061 0.000 0.186 48 N C 1.178 176.716 175.510 0.045 0.000 1.019 48 N CA 2.593 55.673 53.050 0.051 0.000 0.856 48 N CB -0.079 38.419 38.487 0.018 0.000 0.993 48 N HN -0.530 7.794 8.380 0.018 0.067 0.426 49 L N -0.968 120.278 121.223 0.038 0.000 2.013 49 L HA -0.310 4.043 4.340 0.021 0.000 0.212 49 L C 1.043 177.936 176.870 0.038 0.000 1.073 49 L CA 3.159 58.017 54.840 0.030 0.000 0.753 49 L CB -0.318 41.756 42.059 0.024 0.000 0.890 49 L HN -0.285 7.964 8.230 0.031 0.000 0.432 50 A N -2.591 120.266 122.820 0.061 0.000 1.908 50 A HA -0.324 4.014 4.320 0.029 0.000 0.218 50 A C 2.123 179.725 177.584 0.031 0.000 1.181 50 A CA 3.036 55.101 52.037 0.046 0.000 0.627 50 A CB -1.231 17.806 19.000 0.062 0.000 0.818 50 A HN -0.261 7.942 8.150 0.089 0.000 0.445 51 V N -1.490 118.449 119.914 0.043 0.000 2.295 51 V HA -0.541 3.594 4.120 0.025 0.000 0.246 51 V C 2.421 178.528 176.094 0.023 0.000 1.049 51 V CA 3.911 66.229 62.300 0.031 0.000 1.024 51 V CB -0.306 31.541 31.823 0.040 0.000 0.648 51 V HN -0.850 7.289 8.190 0.059 0.086 0.447 52 R N -1.213 119.301 120.500 0.022 0.000 2.092 52 R HA -0.278 4.073 4.340 0.018 0.000 0.231 52 R C 2.226 178.534 176.300 0.013 0.000 1.119 52 R CA 3.277 59.387 56.100 0.017 0.000 0.970 52 R CB -0.355 29.955 30.300 0.015 0.000 0.864 52 R HN -0.439 7.846 8.270 0.026 0.000 0.440 53 R N -3.048 117.458 120.500 0.010 0.000 2.075 53 R HA -0.182 4.160 4.340 0.003 0.000 0.232 53 R C 0.933 177.233 176.300 -0.000 0.000 1.126 53 R CA 2.884 58.986 56.100 0.003 0.000 0.963 53 R CB 0.207 30.506 30.300 -0.001 0.000 0.858 53 R HN -0.588 7.677 8.270 0.013 0.012 0.435 54 A N -4.530 118.290 122.820 -0.000 0.000 2.108 54 A HA 0.250 4.565 4.320 -0.008 0.000 0.206 54 A C 0.766 178.352 177.584 0.003 0.000 1.212 54 A CA 0.575 52.609 52.037 -0.005 0.000 0.843 54 A CB 1.031 20.022 19.000 -0.014 0.000 0.902 54 A HN -0.562 7.590 8.150 0.004 0.000 0.477 55 A N -0.323 122.503 122.820 0.009 0.000 1.917 55 A HA -0.130 4.198 4.320 0.014 0.000 0.219 55 A C -0.780 176.815 177.584 0.019 0.000 1.182 55 A CA 4.202 56.248 52.037 0.015 0.000 0.633 55 A CB -2.299 16.712 19.000 0.019 0.000 0.819 55 A HN 0.230 8.386 8.150 0.010 0.000 0.448 56 P HA -0.246 4.193 4.420 0.030 0.000 0.218 56 P C 0.352 177.667 177.300 0.025 0.000 1.148 56 P CA 2.292 65.407 63.100 0.025 0.000 0.822 56 P CB -0.368 31.345 31.700 0.023 0.000 0.784 57 A N -4.793 118.036 122.820 0.016 0.000 2.015 57 A HA -0.054 4.435 4.320 0.013 -0.162 0.219 57 A C -0.252 177.341 177.584 0.014 0.000 1.163 57 A CA 0.868 52.912 52.037 0.012 0.000 0.646 57 A CB 0.282 19.285 19.000 0.004 0.000 0.806 57 A HN -0.670 7.474 8.150 0.012 0.014 0.448 58 V N -1.231 118.693 119.914 0.016 0.000 2.530 58 V HA 0.208 4.495 4.120 0.011 -0.160 0.282 58 V C -0.004 176.104 176.094 0.023 0.000 1.048 58 V CA 0.464 62.773 62.300 0.015 0.000 0.997 58 V CB 0.634 32.464 31.823 0.011 0.000 0.987 58 V HN -0.845 7.332 8.190 0.016 0.023 0.477 59 V N 0.242 120.167 119.914 0.019 0.000 3.113 59 V HA 0.602 4.828 4.120 0.049 -0.076 0.316 59 V C -1.752 174.341 176.094 -0.001 0.000 1.125 59 V CA -3.893 58.426 62.300 0.033 0.000 1.026 59 V CB 3.576 35.429 31.823 0.051 0.000 1.080 59 V HN 0.315 8.512 8.190 0.011 0.000 0.444 60 N N 0.438 119.140 118.700 0.004 0.000 2.498 60 N HA 0.279 5.037 4.740 -0.176 -0.123 0.287 60 N C -0.751 174.610 175.510 -0.249 0.000 1.097 60 N CA 0.197 53.158 53.050 -0.149 0.000 0.973 60 N CB 2.166 40.586 38.487 -0.111 0.000 1.153 60 N HN -0.253 8.165 8.380 0.063 0.000 0.472 61 V N 1.574 121.238 119.914 -0.418 0.000 2.581 61 V HA 0.680 4.890 4.120 -0.124 -0.164 0.303 61 V C -1.082 174.700 176.094 -0.521 0.000 1.041 61 V CA -1.154 60.972 62.300 -0.289 0.000 0.907 61 V CB 2.467 34.209 31.823 -0.134 0.000 0.994 61 V HN 0.314 8.250 8.190 -0.423 0.000 0.442 62 Y N 2.421 122.744 120.300 0.038 0.000 2.644 62 Y HA 0.377 5.038 4.550 0.034 -0.090 0.338 62 Y C -1.401 174.517 175.900 0.031 0.000 1.119 62 Y CA -1.387 56.733 58.100 0.034 0.000 1.060 62 Y CB 4.862 43.340 38.460 0.031 0.000 1.294 62 Y HN 0.577 8.920 8.280 0.105 0.000 0.472 63 N N -0.311 118.524 118.700 0.225 0.000 2.335 63 N HA 0.896 5.931 4.740 0.109 -0.229 0.304 63 N C -1.137 174.433 175.510 0.100 0.000 1.135 63 N CA -1.933 51.193 53.050 0.126 0.000 0.817 63 N CB 3.895 42.437 38.487 0.092 0.000 1.294 63 N HN 0.242 8.781 8.380 0.265 0.000 0.497 75 E N 1.834 122.034 120.200 0.001 0.000 2.234 75 E HA 0.227 4.578 4.350 0.002 0.000 0.266 75 E C -2.172 174.433 176.600 0.008 0.000 0.877 75 E CA -0.459 55.945 56.400 0.005 0.000 0.758 75 E CB 2.028 31.735 29.700 0.012 0.000 1.170 75 E HN 0.003 8.365 8.360 0.004 0.000 0.415 76 I N 2.221 122.794 120.570 0.006 0.000 2.499 76 I HA 0.496 4.877 4.170 0.024 -0.196 0.288 76 I C -1.451 174.691 176.117 0.041 0.000 1.048 76 I CA -0.868 60.437 61.300 0.009 0.000 1.062 76 I CB 1.986 39.959 38.000 -0.044 0.000 1.238 76 I HN 0.342 8.554 8.210 0.003 0.000 0.426 77 R N 7.798 128.356 120.500 0.096 0.000 2.854 77 R HA 0.448 4.853 4.340 0.109 0.000 0.271 77 R C -2.521 173.939 176.300 0.265 0.000 0.994 77 R CA -1.683 54.495 56.100 0.130 0.000 0.945 77 R CB 3.339 33.692 30.300 0.088 0.000 1.194 77 R HN 0.338 8.674 8.270 0.111 0.000 0.476 78 T N 2.775 117.475 114.554 0.243 0.000 2.743 78 T HA 0.163 4.720 4.350 0.345 0.000 0.293 78 T C -0.290 174.435 174.700 0.041 0.000 0.945 78 T CA -0.846 61.383 62.100 0.216 0.000 1.030 78 T CB 0.009 68.991 68.868 0.190 0.000 0.912 78 T HN 0.081 8.425 8.240 0.174 0.000 0.483 79 L N 7.103 128.291 121.223 -0.059 0.000 2.269 79 L HA 0.397 4.755 4.340 0.030 0.000 0.200 79 L C -0.087 176.771 176.870 -0.019 0.000 1.069 79 L CA 0.262 55.092 54.840 -0.016 0.000 0.804 79 L CB 0.924 42.978 42.059 -0.008 0.000 0.987 79 L HN 0.381 8.505 8.230 -0.176 0.000 0.468 80 G N -5.058 103.677 108.800 -0.108 0.000 2.441 80 G HA2 0.075 4.022 3.960 -0.021 0.000 0.225 80 G HA3 0.075 4.036 3.960 0.002 0.000 0.225 80 G C -2.345 172.490 174.900 -0.107 0.000 1.200 80 G CA 0.087 45.155 45.100 -0.053 0.000 0.947 80 G HN -0.767 7.394 8.290 -0.216 0.000 0.484 81 S N 0.765 116.434 115.700 -0.052 0.000 2.726 81 S HA 1.088 5.664 4.470 -0.073 -0.150 0.308 81 S C -0.942 173.633 174.600 -0.042 0.000 1.115 81 S CA -2.111 56.059 58.200 -0.050 0.000 0.965 81 S CB 3.640 66.831 63.200 -0.016 0.000 1.145 81 S HN -0.419 7.878 8.310 -0.022 0.000 0.532 82 G N -2.341 106.442 108.800 -0.027 0.000 2.623 82 G HA2 0.761 4.945 3.960 -0.019 0.000 0.290 82 G HA3 0.761 4.710 3.960 -0.019 0.000 0.290 82 G C -3.226 171.672 174.900 -0.003 0.000 1.437 82 G CA 0.230 45.319 45.100 -0.017 0.000 0.798 82 G HN -0.305 7.972 8.290 -0.022 0.000 0.488 83 V N -0.698 119.218 119.914 0.003 0.000 2.686 83 V HA 0.351 4.475 4.120 0.008 0.000 0.306 83 V C -1.246 174.856 176.094 0.012 0.000 1.065 83 V CA -1.480 60.826 62.300 0.009 0.000 0.894 83 V CB 4.081 35.912 31.823 0.013 0.000 1.004 83 V HN 0.035 8.228 8.190 0.004 0.000 0.424 84 I N 7.081 127.656 120.570 0.007 0.000 2.363 84 I HA 0.020 4.310 4.170 0.002 -0.118 0.292 84 I C 0.334 176.461 176.117 0.016 0.000 1.075 84 I CA 0.544 61.845 61.300 0.003 0.000 1.333 84 I CB -0.499 37.492 38.000 -0.015 0.000 1.415 84 I HN 0.016 8.229 8.210 0.006 0.000 0.502 85 M N 6.920 126.543 119.600 0.039 0.000 2.134 85 M HA -0.104 4.399 4.480 0.037 0.000 0.262 85 M C 0.251 176.578 176.300 0.046 0.000 1.076 85 M CA 0.579 55.908 55.300 0.049 0.000 1.143 85 M CB -0.003 32.639 32.600 0.071 0.000 1.346 85 M HN 0.348 8.669 8.290 0.052 0.000 0.421 86 D N -6.781 113.655 120.400 0.061 0.000 2.636 86 D HA 0.180 4.841 4.640 0.036 0.000 0.275 86 D C 0.886 177.196 176.300 0.016 0.000 1.130 86 D CA -1.518 52.513 54.000 0.052 0.000 1.031 86 D CB 1.028 41.884 40.800 0.094 0.000 1.451 86 D HN -0.806 7.609 8.370 0.075 0.000 0.505 87 Q N -2.157 117.647 119.800 0.008 0.000 2.167 87 Q HA -0.267 4.052 4.340 -0.035 0.000 0.202 87 Q C 1.349 177.316 176.000 -0.056 0.000 0.970 87 Q CA 2.527 58.317 55.803 -0.023 0.000 0.855 87 Q CB -0.124 28.608 28.738 -0.010 0.000 0.911 87 Q HN 0.373 8.655 8.270 0.019 0.000 0.438 88 R N -3.949 116.534 120.500 -0.029 0.000 2.170 88 R HA -0.260 4.026 4.340 -0.090 0.000 0.242 88 R C 0.425 176.544 176.300 -0.301 0.000 1.145 88 R CA 0.941 56.980 56.100 -0.101 0.000 0.984 88 R CB 0.226 30.553 30.300 0.046 0.000 0.869 88 R HN -0.487 7.873 8.270 0.025 -0.075 0.455 89 G N -5.060 103.584 108.800 -0.260 0.000 2.173 89 G HA2 -0.349 3.465 3.960 -0.242 0.000 0.174 89 G HA3 -0.349 3.550 3.960 -0.372 -0.163 0.174 89 G C -1.038 173.642 174.900 -0.367 0.000 1.025 89 G CA -0.480 44.426 45.100 -0.323 0.000 0.706 89 G HN -0.592 7.699 8.290 -0.142 -0.086 0.499 90 Y N -0.337 119.928 120.300 -0.058 0.000 2.308 90 Y HA 0.515 5.247 4.550 -0.046 -0.209 0.329 90 Y C -0.994 174.881 175.900 -0.041 0.000 1.111 90 Y CA -0.354 57.720 58.100 -0.044 0.000 1.179 90 Y CB 1.809 40.251 38.460 -0.029 0.000 1.201 90 Y HN -0.953 7.531 8.280 -0.003 -0.206 0.483 91 I N 1.795 122.437 120.570 0.120 0.000 2.478 91 I HA 0.664 5.078 4.170 0.046 -0.217 0.287 91 I C -0.645 175.500 176.117 0.048 0.000 1.042 91 I CA -1.546 59.785 61.300 0.052 0.000 1.067 91 I CB 3.301 41.306 38.000 0.008 0.000 1.233 91 I HN 0.328 8.624 8.210 0.143 0.000 0.431 92 I N 7.233 127.822 120.570 0.033 0.000 2.581 92 I HA 0.611 4.976 4.170 0.014 -0.186 0.288 92 I C -0.397 175.717 176.117 -0.005 0.000 1.047 92 I CA -0.430 60.879 61.300 0.014 0.000 1.374 92 I CB 1.330 39.340 38.000 0.016 0.000 1.423 92 I HN 0.033 8.263 8.210 0.034 0.000 0.549 93 T N 2.754 117.293 114.554 -0.026 0.000 2.718 93 T HA 0.318 4.638 4.350 -0.051 0.000 0.306 93 T C -2.103 172.533 174.700 -0.105 0.000 1.485 93 T CA -2.184 59.880 62.100 -0.059 0.000 0.997 93 T CB 1.486 70.317 68.868 -0.061 0.000 1.504 93 T HN 0.285 8.509 8.240 -0.027 0.000 0.497 94 N N 1.143 119.721 118.700 -0.202 0.000 2.503 94 N HA 0.105 4.890 4.740 -0.215 -0.173 0.267 94 N C 1.061 176.375 175.510 -0.326 0.000 1.214 94 N CA 0.735 53.579 53.050 -0.344 0.000 0.959 94 N CB 0.852 38.866 38.487 -0.788 0.000 1.142 94 N HN 0.387 8.639 8.380 -0.213 0.000 0.455 95 K N 2.993 123.263 120.400 -0.217 0.000 2.097 95 K HA -0.276 3.994 4.320 -0.084 0.000 0.206 95 K C 1.456 178.003 176.600 -0.088 0.000 1.049 95 K CA 2.770 58.993 56.287 -0.106 0.000 0.933 95 K CB -0.327 32.153 32.500 -0.033 0.000 0.717 95 K HN 0.081 8.212 8.250 -0.170 0.017 0.442 96 H N -2.757 116.319 119.070 0.010 0.000 2.389 96 H HA -0.236 4.328 4.556 0.013 0.000 0.299 96 H C 1.467 176.805 175.328 0.018 0.000 1.081 96 H CA 2.711 58.768 56.048 0.015 0.000 1.345 96 H CB -0.402 29.372 29.762 0.019 0.000 1.393 96 H HN -0.388 7.827 8.280 -0.336 -0.137 0.520 97 V N -4.518 115.363 119.914 -0.054 0.000 2.343 97 V HA -0.289 3.928 4.120 0.161 0.000 0.247 97 V C 1.115 177.221 176.094 0.020 0.000 1.051 97 V CA 2.916 65.246 62.300 0.050 0.000 1.036 97 V CB -0.388 31.417 31.823 -0.030 0.000 0.654 97 V HN -0.595 7.322 8.190 -0.454 0.000 0.451 98 I N -2.372 118.186 120.570 -0.020 0.000 2.315 98 I HA -0.283 3.891 4.170 0.006 0.000 0.248 98 I C 0.198 176.327 176.117 0.020 0.000 1.117 98 I CA 0.805 62.105 61.300 -0.001 0.000 1.404 98 I CB -0.922 37.069 38.000 -0.014 0.000 1.071 98 I HN -0.705 7.468 8.210 -0.061 0.000 0.419 99 N N 1.062 119.779 118.700 0.028 0.000 2.407 99 N HA -0.244 4.512 4.740 0.027 0.000 0.250 99 N C -0.812 174.720 175.510 0.037 0.000 1.236 99 N CA 1.383 54.453 53.050 0.034 0.000 0.879 99 N CB -0.029 38.485 38.487 0.044 0.000 1.088 99 N HN -0.695 7.703 8.380 0.030 0.000 0.450 100 D N -3.697 116.721 120.400 0.030 0.000 2.870 100 D HA -0.348 4.307 4.640 0.025 0.000 0.228 100 D C -1.658 174.661 176.300 0.032 0.000 1.147 100 D CA 1.441 55.459 54.000 0.029 0.000 0.757 100 D CB -1.125 39.693 40.800 0.030 0.000 1.091 100 D HN 0.313 8.699 8.370 0.027 0.000 0.429 101 A N -3.002 119.837 122.820 0.032 0.000 2.287 101 A HA 0.232 4.575 4.320 0.039 0.000 0.317 101 A C -0.412 177.191 177.584 0.032 0.000 1.220 101 A CA -1.257 50.802 52.037 0.036 0.000 0.835 101 A CB 1.547 20.570 19.000 0.038 0.000 1.180 101 A HN -0.721 7.427 8.150 0.029 0.019 0.500 102 D N 3.230 123.649 120.400 0.032 0.000 2.162 102 D HA -0.143 4.512 4.640 0.025 0.000 0.205 102 D C 0.519 176.837 176.300 0.031 0.000 0.964 102 D CA 1.309 55.326 54.000 0.028 0.000 0.847 102 D CB 0.837 41.651 40.800 0.025 0.000 0.988 102 D HN 0.147 8.678 8.370 0.034 -0.140 0.480 103 Q N -0.317 119.506 119.800 0.038 0.000 2.285 103 Q HA 0.255 4.619 4.340 0.040 0.000 0.269 103 Q C -2.384 173.652 176.000 0.059 0.000 1.030 103 Q CA -0.340 55.489 55.803 0.043 0.000 0.788 103 Q CB 2.798 31.559 28.738 0.039 0.000 1.266 103 Q HN -0.898 7.567 8.270 0.041 -0.170 0.438 104 I N 6.597 127.204 120.570 0.062 0.000 2.359 104 I HA 0.531 4.937 4.170 0.084 -0.186 0.294 104 I C -1.212 174.965 176.117 0.101 0.000 0.987 104 I CA -1.066 60.280 61.300 0.076 0.000 1.225 104 I CB 1.695 39.729 38.000 0.057 0.000 1.366 104 I HN 0.547 8.790 8.210 0.055 0.000 0.466 105 I N 6.187 126.845 120.570 0.147 0.000 2.608 105 I HA 0.656 5.068 4.170 0.156 -0.149 0.295 105 I C -1.459 174.806 176.117 0.247 0.000 1.049 105 I CA -2.756 58.655 61.300 0.185 0.000 1.063 105 I CB 3.447 41.551 38.000 0.174 0.000 1.248 105 I HN 0.038 8.348 8.210 0.166 0.000 0.424 106 V N 3.857 123.916 119.914 0.241 0.000 2.680 106 V HA 0.709 5.154 4.120 0.207 -0.201 0.309 106 V C -2.094 174.167 176.094 0.278 0.000 1.052 106 V CA -2.374 60.067 62.300 0.235 0.000 0.908 106 V CB 4.335 36.263 31.823 0.175 0.000 1.001 106 V HN 0.110 8.441 8.190 0.234 0.000 0.431 107 A N 5.929 128.910 122.820 0.267 0.000 2.357 107 A HA 0.731 5.322 4.320 0.200 -0.150 0.295 107 A C -1.774 175.916 177.584 0.176 0.000 1.121 107 A CA -1.809 50.370 52.037 0.237 0.000 0.742 107 A CB 2.727 21.924 19.000 0.329 0.000 1.181 107 A HN 0.470 8.758 8.150 0.230 0.000 0.454 108 L N 2.403 123.721 121.223 0.159 0.000 2.454 108 L HA 0.160 4.568 4.340 0.112 0.000 0.256 108 L C 1.806 178.731 176.870 0.090 0.000 1.136 108 L CA -0.615 54.300 54.840 0.125 0.000 0.804 108 L CB 1.375 43.523 42.059 0.149 0.000 1.181 108 L HN -0.005 8.324 8.230 0.165 0.000 0.469 109 Q N 1.219 121.062 119.800 0.071 0.000 2.451 109 Q HA -0.203 4.171 4.340 0.057 0.000 0.206 109 Q C 0.180 176.207 176.000 0.046 0.000 0.947 109 Q CA 2.402 58.238 55.803 0.055 0.000 0.937 109 Q CB -0.388 28.377 28.738 0.045 0.000 1.025 109 Q HN 0.908 9.219 8.270 0.069 0.000 0.511 110 D N -5.388 115.042 120.400 0.050 0.000 2.360 110 D HA -0.028 4.631 4.640 0.031 0.000 0.210 110 D C 0.646 176.963 176.300 0.028 0.000 1.047 110 D CA -0.520 53.502 54.000 0.038 0.000 0.854 110 D CB -0.603 40.223 40.800 0.042 0.000 0.936 110 D HN -0.498 7.858 8.370 0.061 0.050 0.514 111 G N -0.918 107.901 108.800 0.031 0.000 2.231 111 G HA2 -0.392 3.576 3.960 0.012 0.000 0.206 111 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.206 111 G C -0.074 174.816 174.900 -0.016 0.000 0.996 111 G CA -0.417 44.688 45.100 0.009 0.000 0.645 111 G HN -0.675 7.603 8.290 0.045 0.039 0.498 112 R N 1.213 121.709 120.500 -0.008 0.000 2.694 112 R HA 0.016 4.260 4.340 -0.160 0.000 0.268 112 R C -1.033 175.198 176.300 -0.116 0.000 1.061 112 R CA 0.837 56.879 56.100 -0.098 0.000 1.133 112 R CB 1.188 31.467 30.300 -0.034 0.000 1.020 112 R HN -0.160 8.451 8.270 0.028 -0.324 0.475 113 V N 0.606 120.312 119.914 -0.347 0.000 2.612 113 V HA 0.545 4.833 4.120 -0.023 -0.181 0.301 113 V C -0.920 174.937 176.094 -0.394 0.000 1.059 113 V CA -0.903 61.272 62.300 -0.209 0.000 0.886 113 V CB 2.307 34.051 31.823 -0.132 0.000 1.007 113 V HN 0.099 7.965 8.190 -0.541 0.000 0.426 114 F N 5.940 125.906 119.950 0.026 0.000 2.575 114 F HA 0.371 4.903 4.527 0.009 0.000 0.330 114 F C -1.043 174.771 175.800 0.024 0.000 1.056 114 F CA -1.631 56.379 58.000 0.017 0.000 0.964 114 F CB 3.796 42.801 39.000 0.010 0.000 1.258 114 F HN 0.313 8.782 8.300 0.282 0.000 0.484 115 E N 1.281 121.614 120.200 0.222 0.000 2.249 115 E HA 0.265 4.811 4.350 0.119 -0.124 0.280 115 E C -1.485 175.191 176.600 0.127 0.000 1.016 115 E CA -0.909 55.573 56.400 0.136 0.000 0.830 115 E CB 1.400 31.153 29.700 0.088 0.000 1.081 115 E HN 0.295 8.793 8.360 0.231 0.000 0.395 116 A N 4.448 127.322 122.820 0.090 0.000 2.340 116 A HA 0.749 5.240 4.320 0.036 -0.149 0.331 116 A C -1.979 175.627 177.584 0.037 0.000 1.140 116 A CA -1.759 50.310 52.037 0.053 0.000 0.801 116 A CB 2.912 21.943 19.000 0.053 0.000 1.234 116 A HN 0.150 8.352 8.150 0.088 0.000 0.469 117 L N -1.026 120.209 121.223 0.020 0.000 2.329 117 L HA 0.616 4.972 4.340 0.027 0.000 0.279 117 L C -1.584 175.304 176.870 0.030 0.000 1.014 117 L CA -1.467 53.387 54.840 0.023 0.000 0.814 117 L CB 2.566 44.635 42.059 0.016 0.000 1.257 117 L HN 0.188 8.421 8.230 0.005 0.000 0.424 118 L N 2.767 124.009 121.223 0.031 0.000 2.407 118 L HA 0.108 4.468 4.340 0.033 0.000 0.282 118 L C 0.189 177.083 176.870 0.040 0.000 1.110 118 L CA -0.121 54.739 54.840 0.032 0.000 0.863 118 L CB -0.748 41.326 42.059 0.024 0.000 1.207 118 L HN 0.279 8.527 8.230 0.029 0.000 0.454 119 V N 7.284 127.233 119.914 0.058 0.000 2.667 119 V HA -0.193 3.972 4.120 0.074 0.000 0.252 119 V C 0.074 176.188 176.094 0.033 0.000 1.065 119 V CA 1.487 63.829 62.300 0.070 0.000 1.083 119 V CB 0.381 32.277 31.823 0.123 0.000 0.692 119 V HN 0.340 8.569 8.190 0.065 0.000 0.468 120 G N -3.963 104.850 108.800 0.021 0.000 2.353 120 G HA2 -0.015 3.949 3.960 0.007 0.000 0.308 120 G HA3 -0.015 3.945 3.960 0.001 0.000 0.308 120 G C -3.391 171.508 174.900 -0.002 0.000 1.418 120 G CA -0.611 44.492 45.100 0.006 0.000 0.966 120 G HN -0.885 7.394 8.290 0.023 0.026 0.638 121 S N -1.149 114.547 115.700 -0.006 0.000 2.732 121 S HA 0.334 4.873 4.470 -0.015 -0.078 0.293 121 S C -2.279 172.313 174.600 -0.013 0.000 1.159 121 S CA -1.302 56.891 58.200 -0.012 0.000 0.847 121 S CB 3.072 66.266 63.200 -0.011 0.000 1.169 121 S HN 0.109 8.416 8.310 -0.005 0.000 0.501 122 D N 0.671 121.062 120.400 -0.014 0.000 2.479 122 D HA 0.323 4.956 4.640 -0.012 0.000 0.246 122 D C 0.863 177.157 176.300 -0.009 0.000 1.336 122 D CA -0.304 53.688 54.000 -0.013 0.000 0.967 122 D CB 2.528 43.319 40.800 -0.016 0.000 1.275 122 D HN -0.098 8.262 8.370 -0.016 0.000 0.577 123 S N 6.464 122.161 115.700 -0.006 0.000 2.365 123 S HA -0.339 4.132 4.470 0.001 0.000 0.225 123 S C 1.930 176.527 174.600 -0.004 0.000 1.039 123 S CA 3.362 61.560 58.200 -0.003 0.000 1.033 123 S CB 0.028 63.227 63.200 -0.003 0.000 0.887 123 S HN 0.455 8.761 8.310 -0.006 0.000 0.447 124 L N 1.400 122.618 121.223 -0.008 0.000 2.083 124 L HA -0.158 4.174 4.340 -0.013 0.000 0.209 124 L C 0.939 177.803 176.870 -0.010 0.000 1.083 124 L CA 2.354 57.188 54.840 -0.011 0.000 0.752 124 L CB 0.288 42.341 42.059 -0.010 0.000 0.899 124 L HN -0.279 8.028 8.230 -0.008 -0.082 0.433 125 T N -7.050 107.501 114.554 -0.006 0.000 3.069 125 T HA -0.068 4.282 4.350 0.000 0.000 0.252 125 T C 0.148 174.850 174.700 0.003 0.000 1.053 125 T CA -0.729 61.370 62.100 -0.000 0.000 0.964 125 T CB 1.044 69.913 68.868 0.001 0.000 1.005 125 T HN -0.569 7.889 8.240 -0.007 -0.222 0.532 126 D N 0.571 120.972 120.400 0.002 0.000 2.689 126 D HA -0.308 4.336 4.640 0.008 0.000 0.237 126 D C -1.473 174.813 176.300 -0.025 0.000 1.148 126 D CA 1.354 55.358 54.000 0.007 0.000 0.656 126 D CB -0.991 39.838 40.800 0.048 0.000 1.050 126 D HN -0.425 7.786 8.370 0.000 0.160 0.426 127 L N -2.994 118.213 121.223 -0.027 0.000 2.303 127 L HA 0.720 5.154 4.340 -0.053 -0.125 0.266 127 L C -2.036 174.810 176.870 -0.040 0.000 1.011 127 L CA -1.278 53.540 54.840 -0.037 0.000 0.818 127 L CB 3.954 46.001 42.059 -0.020 0.000 1.326 127 L HN -0.803 7.416 8.230 -0.019 0.000 0.435 128 A N -1.683 121.113 122.820 -0.040 0.000 2.574 128 A HA 0.758 5.212 4.320 -0.021 -0.147 0.297 128 A C -2.542 175.035 177.584 -0.012 0.000 1.062 128 A CA -0.855 51.165 52.037 -0.028 0.000 0.686 128 A CB 3.788 22.765 19.000 -0.040 0.000 1.285 128 A HN 0.508 8.634 8.150 -0.041 0.000 0.403 129 V N 0.373 120.290 119.914 0.006 0.000 2.715 129 V HA 0.794 5.122 4.120 0.036 -0.186 0.310 129 V C -1.185 174.946 176.094 0.063 0.000 1.054 129 V CA -2.079 60.243 62.300 0.037 0.000 0.928 129 V CB 3.094 34.935 31.823 0.030 0.000 1.007 129 V HN 0.156 8.349 8.190 0.005 0.000 0.437 130 L N 2.897 124.171 121.223 0.085 0.000 2.333 130 L HA 0.922 5.484 4.340 0.062 -0.185 0.263 130 L C -1.666 175.242 176.870 0.063 0.000 1.014 130 L CA -2.007 52.871 54.840 0.064 0.000 0.820 130 L CB 4.217 46.292 42.059 0.027 0.000 1.352 130 L HN 0.578 8.765 8.230 0.093 0.099 0.421 131 K N 0.764 121.161 120.400 -0.005 0.000 2.378 131 K HA 0.882 5.269 4.320 -0.233 -0.207 0.252 131 K C -1.427 175.086 176.600 -0.144 0.000 0.931 131 K CA -1.952 54.253 56.287 -0.136 0.000 0.794 131 K CB 3.320 35.741 32.500 -0.131 0.000 1.181 131 K HN 0.352 8.604 8.250 0.003 0.000 0.425 132 I N -0.317 120.110 120.570 -0.238 0.000 2.865 132 I HA 0.511 4.594 4.170 -0.146 0.000 0.302 132 I C -2.206 173.742 176.117 -0.282 0.000 1.140 132 I CA -1.756 59.396 61.300 -0.247 0.000 1.021 132 I CB 3.751 41.504 38.000 -0.412 0.000 1.233 132 I HN -0.226 7.798 8.210 -0.310 0.000 0.427 133 N N 2.415 121.004 118.700 -0.186 0.000 2.440 133 N HA -0.073 4.590 4.740 -0.129 0.000 0.265 133 N C -0.099 175.290 175.510 -0.201 0.000 1.239 133 N CA 0.595 53.568 53.050 -0.129 0.000 0.909 133 N CB -0.194 38.295 38.487 0.003 0.000 1.066 133 N HN 0.459 8.778 8.380 -0.102 0.000 0.474 134 A N 4.523 127.239 122.820 -0.174 0.000 2.437 134 A HA 0.127 4.309 4.320 -0.231 0.000 0.303 134 A C -0.055 177.489 177.584 -0.068 0.000 1.324 134 A CA -0.348 51.591 52.037 -0.163 0.000 0.983 134 A CB -0.343 18.571 19.000 -0.143 0.000 1.142 134 A HN 0.071 8.129 8.150 -0.153 0.000 0.541 135 T N 1.343 115.881 114.554 -0.026 0.000 2.698 135 T HA -0.063 4.313 4.350 0.044 0.000 0.295 135 T C 0.453 175.162 174.700 0.015 0.000 1.007 135 T CA -1.084 61.041 62.100 0.042 0.000 0.980 135 T CB 0.835 69.779 68.868 0.126 0.000 1.036 135 T HN -0.257 7.952 8.240 -0.051 0.000 0.526 136 G N -2.075 106.741 108.800 0.026 0.000 2.358 136 G HA2 -0.103 3.862 3.960 0.008 0.000 0.273 136 G HA3 -0.103 3.868 3.960 0.018 0.000 0.273 136 G C -0.040 174.872 174.900 0.019 0.000 1.215 136 G CA 0.087 45.197 45.100 0.016 0.000 0.910 136 G HN 0.014 8.325 8.290 0.035 0.000 0.467 137 G N 4.612 113.417 108.800 0.010 0.000 2.341 137 G HA2 -0.364 3.600 3.960 0.007 0.000 0.278 137 G HA3 -0.364 3.605 3.960 0.016 0.000 0.278 137 G C -0.232 174.677 174.900 0.014 0.000 1.111 137 G CA -0.469 44.638 45.100 0.011 0.000 0.982 137 G HN 0.194 8.486 8.290 0.003 0.000 0.502 138 L N 0.332 121.554 121.223 -0.002 0.000 2.453 138 L HA 0.019 4.364 4.340 0.007 0.000 0.272 138 L C -1.540 175.328 176.870 -0.002 0.000 1.182 138 L CA -1.721 53.114 54.840 -0.010 0.000 0.858 138 L CB 0.307 42.333 42.059 -0.055 0.000 1.120 138 L HN -0.757 7.646 8.230 -0.012 -0.179 0.474 139 P HA 0.088 4.513 4.420 0.009 0.000 0.276 139 P C -1.540 175.761 177.300 0.001 0.000 1.264 139 P CA -0.270 62.835 63.100 0.009 0.000 0.769 139 P CB 0.046 31.758 31.700 0.020 0.000 0.840 140 T N 0.592 115.146 114.554 -0.000 0.000 2.888 140 T HA 0.187 4.667 4.350 -0.001 -0.131 0.284 140 T C 0.024 174.722 174.700 -0.002 0.000 1.017 140 T CA -2.645 59.454 62.100 -0.001 0.000 1.022 140 T CB 2.496 71.364 68.868 0.001 0.000 1.013 140 T HN -0.131 8.109 8.240 0.000 0.000 0.465 141 I N 3.699 124.268 120.570 -0.003 0.000 2.598 141 I HA 0.023 4.185 4.170 -0.013 0.000 0.284 141 I C -2.095 174.008 176.117 -0.024 0.000 1.140 141 I CA -2.495 58.798 61.300 -0.012 0.000 1.420 141 I CB 0.732 38.727 38.000 -0.008 0.000 1.387 141 I HN 0.108 8.319 8.210 0.002 0.000 0.553 142 P HA 0.039 4.435 4.420 -0.039 0.000 0.267 142 P C -1.654 175.592 177.300 -0.090 0.000 1.205 142 P CA -0.232 62.837 63.100 -0.052 0.000 0.765 142 P CB 0.467 32.135 31.700 -0.053 0.000 0.828 143 I N 1.643 122.162 120.570 -0.086 0.000 2.545 143 I HA 0.165 4.195 4.170 -0.235 0.000 0.292 143 I C -1.438 174.603 176.117 -0.127 0.000 1.040 143 I CA -0.808 60.410 61.300 -0.136 0.000 1.068 143 I CB 3.076 41.052 38.000 -0.040 0.000 1.251 143 I HN -0.126 8.049 8.210 -0.059 0.000 0.424 144 N N 6.268 124.832 118.700 -0.226 0.000 2.617 144 N HA 0.154 4.864 4.740 -0.050 0.000 0.263 144 N C 0.016 175.524 175.510 -0.003 0.000 1.074 144 N CA -0.997 51.985 53.050 -0.114 0.000 0.841 144 N CB 0.954 39.365 38.487 -0.126 0.000 1.221 144 N HN 0.378 8.508 8.380 -0.418 0.000 0.529 145 A N 5.592 128.492 122.820 0.133 0.000 2.070 145 A HA -0.250 4.377 4.320 0.512 0.000 0.220 145 A C 0.425 178.122 177.584 0.189 0.000 1.159 145 A CA 2.081 54.276 52.037 0.264 0.000 0.656 145 A CB 0.109 19.199 19.000 0.149 0.000 0.800 145 A HN 0.576 8.780 8.150 0.091 0.000 0.453 146 R N -2.793 117.768 120.500 0.102 0.000 2.093 146 R HA -0.016 4.362 4.340 0.064 0.000 0.224 146 R C 0.632 176.973 176.300 0.067 0.000 1.101 146 R CA 0.266 56.406 56.100 0.067 0.000 0.979 146 R CB -0.014 30.308 30.300 0.036 0.000 0.877 146 R HN -0.592 7.909 8.270 0.073 -0.187 0.441 147 R N 0.821 121.355 120.500 0.057 0.000 2.585 147 R HA -0.128 4.215 4.340 0.004 0.000 0.275 147 R C -0.849 175.479 176.300 0.047 0.000 1.018 147 R CA 0.631 56.742 56.100 0.018 0.000 1.072 147 R CB 0.309 30.575 30.300 -0.055 0.000 0.953 147 R HN -0.480 7.945 8.270 0.042 -0.130 0.419 148 V N 6.081 125.954 119.914 -0.069 0.000 2.357 148 V HA 0.281 4.359 4.120 -0.069 0.000 0.284 148 V C -2.140 173.691 176.094 -0.438 0.000 1.018 148 V CA -3.281 58.905 62.300 -0.189 0.000 0.841 148 V CB 1.755 33.453 31.823 -0.209 0.000 0.991 148 V HN 0.140 8.276 8.190 -0.089 0.000 0.437 149 P HA 0.059 4.385 4.420 -0.158 0.000 0.269 149 P C -1.038 176.106 177.300 -0.259 0.000 1.252 149 P CA -0.243 62.747 63.100 -0.183 0.000 0.780 149 P CB -0.039 31.651 31.700 -0.017 0.000 0.829 150 H N 4.755 123.833 119.070 0.013 0.000 2.502 150 H HA 0.219 4.774 4.556 -0.002 0.000 0.338 150 H C -0.135 175.190 175.328 -0.005 0.000 1.155 150 H CA -1.771 54.278 56.048 0.001 0.000 1.237 150 H CB 2.669 32.432 29.762 0.002 0.000 1.534 150 H HN -0.394 8.022 8.280 -0.139 -0.220 0.523 151 I N 1.606 122.252 120.570 0.127 0.000 2.618 151 I HA -0.554 3.750 4.170 0.039 -0.111 0.284 151 I C 1.150 177.299 176.117 0.053 0.000 1.146 151 I CA 2.046 63.381 61.300 0.059 0.000 1.425 151 I CB -0.398 37.624 38.000 0.037 0.000 1.383 151 I HN 0.492 8.786 8.210 0.140 0.000 0.562 152 G N 6.999 115.817 108.800 0.030 0.000 2.253 152 G HA2 -0.323 3.643 3.960 0.011 0.000 0.209 152 G HA3 -0.323 3.652 3.960 0.025 0.000 0.209 152 G C -0.483 174.428 174.900 0.018 0.000 0.997 152 G CA -0.605 44.508 45.100 0.021 0.000 0.640 152 G HN 0.356 8.658 8.290 0.020 0.000 0.496 153 D N 2.790 123.206 120.400 0.027 0.000 2.488 153 D HA -0.047 4.607 4.640 0.023 0.000 0.238 153 D C 0.057 176.339 176.300 -0.031 0.000 1.138 153 D CA 1.660 55.667 54.000 0.011 0.000 0.873 153 D CB 0.568 41.375 40.800 0.012 0.000 1.183 153 D HN -0.668 7.666 8.370 0.040 0.060 0.458 154 V N 2.095 121.978 119.914 -0.053 0.000 2.585 154 V HA -0.095 4.099 4.120 -0.137 -0.157 0.296 154 V C -0.159 175.832 176.094 -0.172 0.000 1.035 154 V CA 1.054 63.268 62.300 -0.143 0.000 1.084 154 V CB 0.124 31.815 31.823 -0.220 0.000 0.953 154 V HN 0.195 8.368 8.190 -0.029 0.000 0.483 155 V N 0.745 120.547 119.914 -0.187 0.000 2.686 155 V HA 0.830 5.035 4.120 -0.149 -0.174 0.306 155 V C -1.486 174.510 176.094 -0.164 0.000 1.065 155 V CA -2.677 59.533 62.300 -0.151 0.000 0.894 155 V CB 3.185 34.954 31.823 -0.089 0.000 1.004 155 V HN 0.056 8.133 8.190 -0.189 0.000 0.424 156 L N 3.735 124.872 121.223 -0.144 0.000 2.307 156 L HA 0.679 5.132 4.340 -0.110 -0.179 0.282 156 L C -0.927 175.908 176.870 -0.059 0.000 1.051 156 L CA -1.827 52.952 54.840 -0.103 0.000 0.804 156 L CB 1.867 43.876 42.059 -0.084 0.000 1.197 156 L HN 0.136 8.285 8.230 -0.134 0.000 0.431 157 A N 2.429 125.224 122.820 -0.041 0.000 2.288 157 A HA 0.673 5.120 4.320 -0.019 -0.139 0.320 157 A C -1.504 176.074 177.584 -0.009 0.000 1.217 157 A CA -1.779 50.245 52.037 -0.021 0.000 0.840 157 A CB 2.077 21.066 19.000 -0.018 0.000 1.179 157 A HN 0.552 8.677 8.150 -0.042 0.000 0.504 158 I N 3.363 123.932 120.570 -0.003 0.000 2.406 158 I HA 0.778 5.128 4.170 0.005 -0.178 0.290 158 I C -0.625 175.497 176.117 0.008 0.000 0.999 158 I CA -1.500 59.802 61.300 0.003 0.000 1.124 158 I CB 2.139 40.140 38.000 0.003 0.000 1.289 158 I HN -0.007 8.201 8.210 -0.003 0.000 0.441 159 G N 4.234 113.041 108.800 0.011 0.000 2.474 159 G HA2 0.335 4.300 3.960 0.007 0.000 0.234 159 G HA3 0.335 4.303 3.960 0.013 0.000 0.234 159 G C -2.830 172.078 174.900 0.014 0.000 1.204 159 G CA 0.788 45.895 45.100 0.011 0.000 0.939 159 G HN -0.031 8.267 8.290 0.013 0.000 0.491 160 N N -0.344 118.365 118.700 0.014 0.000 2.673 160 N HA 0.672 5.604 4.740 0.024 -0.177 0.265 160 N C -1.859 173.669 175.510 0.029 0.000 1.709 160 N CA -1.698 51.362 53.050 0.017 0.000 0.792 160 N CB 1.657 40.144 38.487 -0.001 0.000 1.286 160 N HN -0.169 8.188 8.380 0.015 0.032 0.506 166 Q N 2.199 122.023 119.800 0.040 0.000 2.313 166 Q HA 0.244 5.016 4.340 0.030 -0.414 0.266 166 Q C -0.361 175.656 176.000 0.028 0.000 0.989 166 Q CA 0.397 56.220 55.803 0.032 0.000 0.890 166 Q CB 0.919 29.676 28.738 0.033 0.000 1.200 166 Q HN 0.127 8.423 8.270 0.042 0.000 0.396 167 T N 8.884 123.452 114.554 0.024 0.000 2.848 167 T HA 0.256 4.620 4.350 0.023 0.000 0.285 167 T C -1.923 172.788 174.700 0.017 0.000 0.995 167 T CA -0.644 61.469 62.100 0.022 0.000 0.970 167 T CB 1.911 70.792 68.868 0.022 0.000 0.976 167 T HN 0.405 8.658 8.240 0.022 0.000 0.441 168 I N 5.153 125.733 120.570 0.017 0.000 2.382 168 I HA 0.669 5.048 4.170 0.007 -0.205 0.285 168 I C 0.179 176.301 176.117 0.009 0.000 1.007 168 I CA -2.286 59.021 61.300 0.012 0.000 1.142 168 I CB 0.428 38.439 38.000 0.019 0.000 1.289 168 I HN 0.351 8.573 8.210 0.020 0.000 0.453 169 T N 5.226 119.779 114.554 -0.003 0.000 2.945 169 T HA 0.340 4.690 4.350 -0.001 0.000 0.286 169 T C -1.588 173.094 174.700 -0.030 0.000 1.025 169 T CA -1.799 60.296 62.100 -0.009 0.000 1.039 169 T CB 2.091 70.953 68.868 -0.010 0.000 1.068 169 T HN -0.002 8.235 8.240 -0.006 0.000 0.497 170 Q N 3.621 123.400 119.800 -0.035 0.000 2.399 170 Q HA 0.651 5.071 4.340 -0.106 -0.143 0.276 170 Q C -0.998 174.960 176.000 -0.070 0.000 1.098 170 Q CA -1.162 54.596 55.803 -0.075 0.000 0.827 170 Q CB 3.699 32.395 28.738 -0.069 0.000 1.386 170 Q HN 0.033 8.290 8.270 -0.021 0.000 0.443 171 G N 0.305 109.045 108.800 -0.101 0.000 2.364 171 G HA2 0.582 4.506 3.960 -0.059 0.000 0.286 171 G HA3 0.582 4.574 3.960 -0.067 -0.073 0.286 171 G C -2.759 172.087 174.900 -0.089 0.000 1.241 171 G CA 0.717 45.772 45.100 -0.076 0.000 0.887 171 G HN -0.285 7.919 8.290 -0.144 0.000 0.484 172 I N -5.808 114.723 120.570 -0.065 0.000 3.191 172 I HA 0.934 5.241 4.170 -0.067 -0.177 0.313 172 I C -1.114 174.976 176.117 -0.044 0.000 1.193 172 I CA -2.583 58.684 61.300 -0.055 0.000 0.968 172 I CB 4.578 42.558 38.000 -0.034 0.000 1.262 172 I HN 0.425 8.899 8.210 -0.057 -0.299 0.456 173 I N 1.428 121.980 120.570 -0.030 0.000 2.483 173 I HA -0.063 4.092 4.170 -0.025 0.000 0.291 173 I C 0.573 176.682 176.117 -0.013 0.000 1.112 173 I CA 0.849 62.137 61.300 -0.019 0.000 1.350 173 I CB -1.564 36.432 38.000 -0.006 0.000 1.419 173 I HN 0.069 8.263 8.210 -0.026 0.000 0.523 174 S N 9.858 125.544 115.700 -0.023 0.000 2.406 174 S HA -0.219 4.242 4.470 -0.014 0.000 0.228 174 S C -0.348 174.255 174.600 0.005 0.000 1.020 174 S CA 2.327 60.517 58.200 -0.017 0.000 0.965 174 S CB 0.443 63.619 63.200 -0.040 0.000 0.798 174 S HN 0.374 8.664 8.310 -0.034 0.000 0.488 175 A N -2.738 120.088 122.820 0.010 0.000 2.569 175 A HA 0.224 4.548 4.320 0.008 0.000 0.292 175 A C -2.750 174.819 177.584 -0.026 0.000 1.032 175 A CA 0.055 52.101 52.037 0.015 0.000 0.669 175 A CB 1.432 20.471 19.000 0.066 0.000 1.290 175 A HN -0.671 7.458 8.150 0.003 0.023 0.422 190 L N 0.920 122.333 121.223 0.317 0.000 2.362 190 L HA 0.407 4.773 4.340 0.043 0.000 0.275 190 L C -2.257 174.766 176.870 0.255 0.000 0.998 190 L CA -0.284 54.659 54.840 0.171 0.000 0.820 190 L CB 3.754 45.863 42.059 0.083 0.000 1.270 190 L HN 0.186 8.654 8.230 0.396 0.000 0.415 191 Q N 6.800 126.685 119.800 0.141 0.000 2.312 191 Q HA 0.921 5.326 4.340 -0.229 -0.203 0.263 191 Q C -1.458 174.487 176.000 -0.092 0.000 0.995 191 Q CA -1.833 53.935 55.803 -0.059 0.000 0.853 191 Q CB 3.691 32.424 28.738 -0.008 0.000 1.300 191 Q HN 0.154 8.489 8.270 0.109 0.000 0.448 192 T N 4.702 119.156 114.554 -0.166 0.000 2.868 192 T HA 0.642 5.085 4.350 -0.082 -0.143 0.306 192 T C -1.698 172.925 174.700 -0.127 0.000 1.224 192 T CA -2.701 59.334 62.100 -0.109 0.000 1.012 192 T CB 1.574 70.398 68.868 -0.074 0.000 1.221 192 T HN 0.503 8.586 8.240 -0.262 0.000 0.499 193 D N 3.786 124.133 120.400 -0.088 0.000 2.424 193 D HA 0.447 5.197 4.640 -0.092 -0.165 0.220 193 D C -0.915 175.349 176.300 -0.060 0.000 1.150 193 D CA -2.097 51.856 54.000 -0.077 0.000 0.831 193 D CB -0.298 40.467 40.800 -0.059 0.000 0.981 193 D HN -0.062 8.263 8.370 -0.074 0.000 0.500 194 A N 1.722 124.506 122.820 -0.061 0.000 2.409 194 A HA 0.044 4.475 4.320 -0.043 -0.136 0.267 194 A C -0.108 177.451 177.584 -0.042 0.000 1.127 194 A CA 0.300 52.308 52.037 -0.049 0.000 0.795 194 A CB 0.679 19.649 19.000 -0.050 0.000 1.061 194 A HN -0.854 7.204 8.150 -0.067 0.051 0.502 195 S N 2.583 118.265 115.700 -0.030 0.000 2.546 195 S HA -0.198 4.253 4.470 -0.031 0.000 0.290 195 S C -0.749 173.839 174.600 -0.020 0.000 1.290 195 S CA 0.203 58.389 58.200 -0.024 0.000 1.069 195 S CB 0.386 63.578 63.200 -0.012 0.000 0.846 195 S HN 0.249 8.544 8.310 -0.025 0.000 0.495 196 I N 4.419 124.975 120.570 -0.023 0.000 2.410 196 I HA 0.030 4.296 4.170 -0.009 -0.101 0.286 196 I C -1.144 174.951 176.117 -0.036 0.000 1.009 196 I CA -0.689 60.600 61.300 -0.018 0.000 1.111 196 I CB 1.609 39.605 38.000 -0.008 0.000 1.262 196 I HN 0.051 8.244 8.210 -0.029 0.000 0.443 197 N N 7.510 126.194 118.700 -0.026 0.000 2.867 197 N HA 0.175 4.865 4.740 -0.083 0.000 0.326 197 N C -0.346 175.111 175.510 -0.089 0.000 1.355 197 N CA -1.523 51.503 53.050 -0.040 0.000 0.830 197 N CB 0.957 39.472 38.487 0.047 0.000 1.152 197 N HN -0.624 7.935 8.380 -0.005 -0.183 0.569 198 H N -0.622 118.455 119.070 0.011 0.000 2.415 198 H HA -0.051 4.503 4.556 -0.002 0.000 0.297 198 H C 1.557 176.905 175.328 0.035 0.000 1.048 198 H CA 3.304 59.357 56.048 0.008 0.000 1.365 198 H CB 0.676 30.433 29.762 -0.009 0.000 1.421 198 H HN 0.322 8.731 8.280 0.214 0.000 0.533 199 G N -1.780 107.107 108.800 0.145 0.000 2.394 199 G HA2 -0.206 3.804 3.960 0.083 0.000 0.214 199 G HA3 -0.206 3.967 3.960 0.063 -0.175 0.214 199 G C 1.084 176.018 174.900 0.057 0.000 1.176 199 G CA 1.278 46.428 45.100 0.083 0.000 0.786 199 G HN 0.153 8.530 8.290 0.145 0.000 0.533 200 N N -2.175 116.553 118.700 0.047 0.000 2.571 200 N HA -0.151 4.652 4.740 0.025 -0.048 0.189 200 N C 0.097 175.632 175.510 0.042 0.000 1.154 200 N CA -0.319 52.750 53.050 0.033 0.000 0.907 200 N CB -1.193 37.307 38.487 0.023 0.000 0.977 200 N HN -0.028 8.381 8.380 0.048 0.000 0.449 201 S N -1.214 114.527 115.700 0.068 0.000 2.533 201 S HA -0.207 4.313 4.470 0.085 0.000 0.282 201 S C 0.501 175.147 174.600 0.076 0.000 1.304 201 S CA 1.023 59.285 58.200 0.103 0.000 1.063 201 S CB -0.460 62.854 63.200 0.191 0.000 0.881 201 S HN -0.950 7.356 8.310 0.074 0.049 0.493 202 G N 3.914 112.737 108.800 0.038 0.000 2.195 202 G HA2 -0.409 3.536 3.960 -0.024 0.000 0.246 202 G HA3 -0.409 3.647 3.960 -0.033 -0.116 0.246 202 G C -0.401 174.500 174.900 0.001 0.000 0.984 202 G CA 0.273 45.367 45.100 -0.010 0.000 0.633 202 G HN 0.264 8.539 8.290 0.049 0.044 0.525 203 G N -0.098 108.711 108.800 0.015 0.000 2.543 203 G HA2 0.444 4.407 3.960 0.006 0.000 0.290 203 G HA3 0.444 4.650 3.960 0.013 -0.238 0.290 203 G C -2.161 172.748 174.900 0.016 0.000 1.310 203 G CA -1.570 43.537 45.100 0.012 0.000 1.025 203 G HN -0.484 7.650 8.290 0.025 0.171 0.502 204 A N -2.350 120.476 122.820 0.010 0.000 2.252 204 A HA 0.522 4.851 4.320 0.015 0.000 0.305 204 A C -1.884 175.703 177.584 0.004 0.000 1.097 204 A CA -1.544 50.498 52.037 0.008 0.000 0.849 204 A CB 2.653 21.652 19.000 -0.001 0.000 1.142 204 A HN -0.265 7.890 8.150 0.007 0.000 0.499 205 L N 0.914 122.137 121.223 0.001 0.000 2.491 205 L HA 0.832 5.350 4.340 -0.018 -0.188 0.267 205 L C -2.115 174.736 176.870 -0.030 0.000 0.971 205 L CA -0.096 54.738 54.840 -0.010 0.000 0.857 205 L CB 3.615 45.679 42.059 0.008 0.000 1.226 205 L HN -0.305 7.927 8.230 0.003 0.000 0.408 206 V N 1.257 121.141 119.914 -0.050 0.000 3.001 206 V HA 0.931 5.122 4.120 -0.089 -0.125 0.314 206 V C -1.646 174.399 176.094 -0.082 0.000 1.099 206 V CA -3.790 58.466 62.300 -0.073 0.000 0.989 206 V CB 3.858 35.641 31.823 -0.066 0.000 1.040 206 V HN 0.214 8.374 8.190 -0.050 0.000 0.434 207 N N 0.891 119.537 118.700 -0.089 0.000 2.328 207 N HA 0.403 5.287 4.740 -0.094 -0.201 0.277 207 N C 1.562 177.032 175.510 -0.066 0.000 1.286 207 N CA -1.174 51.827 53.050 -0.082 0.000 0.949 207 N CB 0.595 39.040 38.487 -0.069 0.000 1.136 207 N HN -0.360 7.959 8.380 -0.102 0.000 0.550 208 S N -0.953 114.722 115.700 -0.041 0.000 2.423 208 S HA -0.275 4.225 4.470 0.050 0.000 0.231 208 S C 1.237 175.872 174.600 0.059 0.000 1.014 208 S CA 2.699 60.927 58.200 0.047 0.000 0.965 208 S CB -0.692 62.597 63.200 0.149 0.000 0.785 208 S HN 0.171 8.457 8.310 -0.040 0.000 0.495 209 L N -2.024 119.209 121.223 0.016 0.000 2.291 209 L HA -0.001 4.351 4.340 0.020 0.000 0.214 209 L C 0.813 177.677 176.870 -0.011 0.000 1.120 209 L CA 0.510 55.353 54.840 0.005 0.000 0.799 209 L CB -0.043 42.008 42.059 -0.014 0.000 0.925 209 L HN -0.498 7.810 8.230 -0.002 -0.079 0.446 210 G N -4.554 104.229 108.800 -0.028 0.000 2.218 210 G HA2 -0.425 3.516 3.960 -0.031 0.000 0.216 210 G HA3 -0.425 3.519 3.960 -0.026 0.000 0.216 210 G C -0.691 174.165 174.900 -0.073 0.000 0.994 210 G CA -0.522 44.556 45.100 -0.037 0.000 0.637 210 G HN -0.261 8.073 8.290 -0.034 -0.065 0.505 211 E N 0.620 120.759 120.200 -0.102 0.000 2.414 211 E HA -0.259 3.994 4.350 -0.162 0.000 0.263 211 E C -0.718 175.746 176.600 -0.227 0.000 1.000 211 E CA 0.071 56.367 56.400 -0.173 0.000 0.914 211 E CB 0.441 30.019 29.700 -0.203 0.000 0.948 211 E HN -0.514 7.857 8.360 -0.090 -0.064 0.444 212 L N 3.913 124.969 121.223 -0.278 0.000 2.455 212 L HA -0.231 4.014 4.340 -0.159 0.000 0.272 212 L C -0.844 175.767 176.870 -0.432 0.000 1.174 212 L CA 1.386 56.069 54.840 -0.261 0.000 0.869 212 L CB 0.356 42.308 42.059 -0.178 0.000 1.130 212 L HN 0.053 8.121 8.230 -0.270 0.000 0.474 213 M N 3.060 122.565 119.600 -0.159 0.000 2.470 213 M HA 0.223 4.691 4.480 -0.021 0.000 0.262 213 M C -0.220 176.204 176.300 0.206 0.000 1.211 213 M CA -0.063 55.239 55.300 0.004 0.000 1.125 213 M CB 2.239 34.831 32.600 -0.013 0.000 1.480 213 M HN 0.638 8.876 8.290 -0.087 0.000 0.541 214 G N -3.006 105.869 108.800 0.124 0.000 2.506 214 G HA2 0.245 4.475 3.960 0.170 0.000 0.292 214 G HA3 0.245 4.273 3.960 0.112 0.000 0.292 214 G C -3.146 171.806 174.900 0.086 0.000 1.425 214 G CA 0.489 45.667 45.100 0.129 0.000 0.788 214 G HN -0.412 7.918 8.290 0.066 0.000 0.490 215 I N -1.268 119.351 120.570 0.082 0.000 2.382 215 I HA 0.504 4.854 4.170 0.051 -0.150 0.285 215 I C -0.277 175.881 176.117 0.068 0.000 1.007 215 I CA -3.272 58.065 61.300 0.061 0.000 1.142 215 I CB 0.682 38.713 38.000 0.051 0.000 1.289 215 I HN -0.204 8.135 8.210 0.090 -0.074 0.453 216 N N 8.962 127.698 118.700 0.059 0.000 2.395 216 N HA 0.009 4.938 4.740 0.084 -0.139 0.246 216 N C -0.078 175.485 175.510 0.089 0.000 1.246 216 N CA 1.039 54.132 53.050 0.072 0.000 0.879 216 N CB 0.597 39.114 38.487 0.050 0.000 1.098 216 N HN 0.102 8.510 8.380 0.047 0.000 0.444 217 T N -0.495 114.131 114.554 0.120 0.000 2.681 217 T HA 0.345 4.786 4.350 0.152 0.000 0.296 217 T C -1.815 172.962 174.700 0.128 0.000 1.157 217 T CA -1.449 60.733 62.100 0.137 0.000 1.025 217 T CB 1.697 70.637 68.868 0.119 0.000 1.441 217 T HN -0.023 8.297 8.240 0.133 0.000 0.504 230 E N 0.893 121.099 120.200 0.011 0.000 2.360 230 E HA -0.004 4.347 4.350 0.002 0.000 0.269 230 E C 0.808 177.399 176.600 -0.015 0.000 1.022 230 E CA 0.607 57.007 56.400 0.000 0.000 0.887 230 E CB 0.041 29.743 29.700 0.002 0.000 0.990 230 E HN -0.075 8.292 8.360 0.012 0.000 0.426 231 G N 1.997 110.783 108.800 -0.024 0.000 2.199 231 G HA2 -0.362 3.578 3.960 -0.034 0.000 0.254 231 G HA3 -0.362 3.578 3.960 -0.033 0.000 0.254 231 G C -0.756 174.101 174.900 -0.072 0.000 0.982 231 G CA -0.077 45.000 45.100 -0.038 0.000 0.632 231 G HN 0.409 8.687 8.290 -0.020 0.000 0.529 232 I N 1.164 121.678 120.570 -0.094 0.000 2.339 232 I HA 0.232 4.274 4.170 -0.213 0.000 0.290 232 I C -0.729 175.215 176.117 -0.289 0.000 0.994 232 I CA -0.694 60.482 61.300 -0.206 0.000 1.191 232 I CB 1.151 39.021 38.000 -0.216 0.000 1.343 232 I HN -0.847 7.249 8.210 -0.065 0.074 0.458 233 G N 4.327 112.905 108.800 -0.371 0.000 2.473 233 G HA2 0.552 4.414 3.960 -0.164 0.000 0.321 233 G HA3 0.552 4.414 3.960 -0.163 0.000 0.321 233 G C -2.396 172.201 174.900 -0.505 0.000 1.200 233 G CA -1.573 43.353 45.100 -0.291 0.000 0.963 233 G HN 0.609 8.692 8.290 -0.345 0.000 0.483 234 F N -0.393 119.569 119.950 0.020 0.000 2.529 234 F HA 0.872 5.663 4.527 0.082 -0.215 0.320 234 F C -1.854 173.979 175.800 0.055 0.000 1.118 234 F CA -1.606 56.425 58.000 0.051 0.000 0.915 234 F CB 3.999 43.016 39.000 0.029 0.000 1.161 234 F HN 0.104 8.507 8.300 0.171 0.000 0.445 235 A N 1.351 124.312 122.820 0.235 0.000 2.401 235 A HA 0.794 5.388 4.320 0.149 -0.184 0.310 235 A C -2.103 175.583 177.584 0.170 0.000 1.075 235 A CA -2.583 49.551 52.037 0.161 0.000 0.746 235 A CB 3.746 22.806 19.000 0.100 0.000 1.277 235 A HN 0.860 9.154 8.150 0.241 0.000 0.425 236 I N 0.777 121.422 120.570 0.125 0.000 2.371 236 I HA 0.163 4.403 4.170 0.116 0.000 0.290 236 I C -1.802 174.361 176.117 0.076 0.000 1.028 236 I CA -3.072 58.288 61.300 0.098 0.000 1.345 236 I CB 0.592 38.633 38.000 0.068 0.000 1.407 236 I HN -0.011 8.169 8.210 0.109 0.095 0.501 237 P HA -0.043 4.538 4.420 0.055 -0.128 0.264 237 P C 0.855 178.139 177.300 -0.026 0.000 1.183 237 P CA 0.234 63.330 63.100 -0.007 0.000 0.763 237 P CB 0.147 31.781 31.700 -0.110 0.000 0.807 238 F N 3.717 123.656 119.950 -0.018 0.000 2.171 238 F HA -0.353 4.167 4.527 -0.012 0.000 0.300 238 F C 1.217 177.005 175.800 -0.021 0.000 1.090 238 F CA 3.918 61.908 58.000 -0.018 0.000 1.293 238 F CB -0.520 38.467 39.000 -0.021 0.000 1.013 238 F HN -0.398 8.085 8.300 0.306 0.000 0.486 239 Q N -0.916 118.241 119.800 -1.073 0.000 2.050 239 Q HA -0.326 3.692 4.340 -0.536 0.000 0.202 239 Q C 2.092 177.915 176.000 -0.295 0.000 0.980 239 Q CA 3.331 58.717 55.803 -0.695 0.000 0.840 239 Q CB -1.458 26.830 28.738 -0.751 0.000 0.898 239 Q HN 0.170 7.478 8.270 -1.602 0.000 0.424 240 L N -1.002 120.072 121.223 -0.247 0.000 2.046 240 L HA -0.259 4.008 4.340 -0.122 0.000 0.208 240 L C 1.292 178.115 176.870 -0.078 0.000 1.077 240 L CA 2.723 57.485 54.840 -0.130 0.000 0.747 240 L CB -0.650 41.351 42.059 -0.097 0.000 0.896 240 L HN -0.613 7.442 8.230 -0.292 0.000 0.432 241 A N -2.250 120.537 122.820 -0.055 0.000 1.933 241 A HA -0.356 3.957 4.320 -0.012 0.000 0.218 241 A C 2.060 179.637 177.584 -0.012 0.000 1.175 241 A CA 3.254 55.285 52.037 -0.011 0.000 0.628 241 A CB -0.938 18.082 19.000 0.032 0.000 0.814 241 A HN 0.126 8.237 8.150 -0.064 0.000 0.444 242 T N 0.762 115.307 114.554 -0.014 0.000 2.746 242 T HA -0.462 3.894 4.350 0.010 0.000 0.267 242 T C 1.744 176.422 174.700 -0.037 0.000 1.039 242 T CA 5.239 67.336 62.100 -0.006 0.000 1.142 242 T CB -0.110 68.766 68.868 0.014 0.000 0.866 242 T HN -0.015 8.114 8.240 -0.028 0.094 0.444 243 K N 1.112 121.479 120.400 -0.054 0.000 2.057 243 K HA -0.183 4.105 4.320 -0.054 0.000 0.206 243 K C 2.300 178.868 176.600 -0.053 0.000 1.050 243 K CA 2.743 58.996 56.287 -0.056 0.000 0.935 243 K CB -0.802 31.659 32.500 -0.064 0.000 0.715 243 K HN -0.631 7.579 8.250 -0.067 0.000 0.439 244 I N -0.012 120.529 120.570 -0.048 0.000 2.226 244 I HA -0.393 3.752 4.170 -0.042 0.000 0.245 244 I C 1.661 177.746 176.117 -0.054 0.000 1.100 244 I CA 3.392 64.666 61.300 -0.043 0.000 1.374 244 I CB -0.895 37.085 38.000 -0.033 0.000 1.057 244 I HN -0.314 7.869 8.210 -0.046 0.000 0.413 245 M N 0.612 120.178 119.600 -0.057 0.000 2.132 245 M HA -0.483 3.950 4.480 -0.079 0.000 0.263 245 M C 1.463 177.686 176.300 -0.129 0.000 1.065 245 M CA 4.427 59.677 55.300 -0.083 0.000 1.122 245 M CB -0.242 32.316 32.600 -0.068 0.000 1.365 245 M HN -0.369 7.892 8.290 -0.048 0.000 0.411 246 D N -0.666 119.669 120.400 -0.108 0.000 2.117 246 D HA -0.334 4.209 4.640 -0.161 0.000 0.197 246 D C 2.297 178.532 176.300 -0.107 0.000 0.987 246 D CA 3.313 57.241 54.000 -0.120 0.000 0.829 246 D CB -0.390 40.360 40.800 -0.082 0.000 0.961 246 D HN -0.468 7.852 8.370 -0.084 0.000 0.460 247 K N -0.204 120.148 120.400 -0.080 0.000 2.057 247 K HA -0.165 4.120 4.320 -0.059 0.000 0.206 247 K C 1.857 178.417 176.600 -0.067 0.000 1.050 247 K CA 2.689 58.938 56.287 -0.063 0.000 0.935 247 K CB -0.550 31.921 32.500 -0.048 0.000 0.715 247 K HN -0.728 7.479 8.250 -0.072 0.000 0.439 248 L N -2.438 118.740 121.223 -0.074 0.000 2.046 248 L HA -0.251 4.061 4.340 -0.047 0.000 0.208 248 L C 2.379 179.198 176.870 -0.084 0.000 1.077 248 L CA 2.640 57.440 54.840 -0.066 0.000 0.747 248 L CB -0.026 41.997 42.059 -0.059 0.000 0.896 248 L HN -0.555 7.628 8.230 -0.077 0.000 0.432 249 I N -3.118 117.360 120.570 -0.152 0.000 2.264 249 I HA -0.431 3.629 4.170 -0.183 0.000 0.248 249 I C 1.373 177.427 176.117 -0.105 0.000 1.111 249 I CA 2.526 63.703 61.300 -0.204 0.000 1.382 249 I CB -0.033 37.722 38.000 -0.408 0.000 1.060 249 I HN -0.477 7.627 8.210 -0.177 0.000 0.418 250 R N -0.255 120.192 120.500 -0.088 0.000 2.060 250 R HA -0.138 4.175 4.340 -0.045 0.000 0.225 250 R C 0.975 177.255 176.300 -0.033 0.000 1.155 250 R CA 2.078 58.147 56.100 -0.052 0.000 0.930 250 R CB 0.581 30.853 30.300 -0.048 0.000 0.829 250 R HN -0.587 7.529 8.270 -0.098 0.095 0.433 251 D N 0.000 120.380 120.400 -0.033 0.000 6.856 251 D HA 0.000 4.630 4.640 -0.017 0.000 0.175 251 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 251 D CB 0.000 40.787 40.800 -0.022 0.000 0.688 251 D HN 0.000 8.346 8.370 -0.039 0.000 0.683