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 3lgw_1_A DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRGLXX XXXXXXEIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPXXXGQVI TQGIISATGX XXXXXXXXXN DATA SEQUENCE FLQTDASINP GNSGGALVNS LGELMGINTL SXXXXXXXXX PEGIGFAIPF DATA SEQUENCE QLATKIMDKL IRDGRVI 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 4.464 4.470 -0.010 0.000 0.327 39 S C 0.000 174.594 174.600 -0.009 0.000 1.055 39 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 39 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 40 T N 0.668 115.217 114.554 -0.008 0.000 2.778 40 T HA -0.266 4.079 4.350 -0.008 0.000 0.269 40 T C 1.098 175.793 174.700 -0.008 0.000 1.050 40 T CA 1.923 64.019 62.100 -0.008 0.000 1.137 40 T CB -0.094 68.771 68.868 -0.006 0.000 0.860 40 T HN -0.079 8.157 8.240 -0.007 0.000 0.468 41 D N 0.886 121.281 120.400 -0.008 0.000 2.149 41 D HA -0.056 4.579 4.640 -0.008 0.000 0.206 41 D C -0.090 176.203 176.300 -0.011 0.000 0.967 41 D CA 0.882 54.877 54.000 -0.008 0.000 0.848 41 D CB -0.266 40.529 40.800 -0.007 0.000 0.998 41 D HN 0.238 8.576 8.370 -0.008 0.027 0.474 42 E N -0.423 119.770 120.200 -0.012 0.000 2.397 42 E HA -0.011 4.331 4.350 -0.014 0.000 0.254 42 E C -0.699 175.890 176.600 -0.018 0.000 1.231 42 E CA -0.495 55.896 56.400 -0.015 0.000 0.954 42 E CB 0.853 30.544 29.700 -0.015 0.000 1.024 42 E HN -0.140 8.213 8.360 -0.011 0.000 0.481 43 T N -2.837 111.703 114.554 -0.023 0.000 2.829 43 T HA 0.357 4.692 4.350 -0.027 0.000 0.280 43 T C -1.362 173.314 174.700 -0.039 0.000 0.999 43 T CA -3.110 58.973 62.100 -0.029 0.000 0.983 43 T CB 0.565 69.415 68.868 -0.030 0.000 0.968 43 T HN -0.120 8.106 8.240 -0.024 0.000 0.446 44 P HA -0.015 4.376 4.420 -0.050 0.000 0.269 44 P C -1.509 175.739 177.300 -0.086 0.000 1.209 44 P CA -0.447 62.620 63.100 -0.055 0.000 0.776 44 P CB 0.614 32.285 31.700 -0.048 0.000 0.876 45 A N 1.786 124.543 122.820 -0.106 0.000 2.477 45 A HA -0.011 4.202 4.320 -0.178 0.000 0.246 45 A C -0.354 177.079 177.584 -0.252 0.000 1.078 45 A CA 0.584 52.515 52.037 -0.177 0.000 0.770 45 A CB 0.177 19.079 19.000 -0.163 0.000 1.011 45 A HN 0.021 8.119 8.150 -0.088 0.000 0.494 46 S N 1.180 116.650 115.700 -0.383 0.000 2.552 46 S HA 0.074 4.341 4.470 -0.338 0.000 0.272 46 S C -0.966 173.345 174.600 -0.482 0.000 1.150 46 S CA -0.192 57.795 58.200 -0.356 0.000 0.849 46 S CB 0.854 63.964 63.200 -0.151 0.000 1.113 46 S HN -0.030 8.025 8.310 -0.425 0.000 0.458 47 Y N 1.948 122.247 120.300 -0.002 0.000 2.734 47 Y HA 0.205 4.752 4.550 -0.004 0.000 0.278 47 Y C -0.118 175.779 175.900 -0.005 0.000 1.108 47 Y CA -0.708 57.389 58.100 -0.004 0.000 1.211 47 Y CB -0.127 38.331 38.460 -0.004 0.000 1.182 47 Y HN 0.193 8.442 8.280 -0.053 0.000 0.547 48 N N 1.542 120.283 118.700 0.069 0.000 2.396 48 N HA -0.288 4.486 4.740 0.057 0.000 0.180 48 N C 0.991 176.525 175.510 0.041 0.000 1.028 48 N CA 2.761 55.839 53.050 0.047 0.000 0.893 48 N CB 0.369 38.865 38.487 0.014 0.000 0.967 48 N HN -0.517 7.805 8.380 0.015 0.067 0.440 49 L N -0.543 120.706 121.223 0.043 0.000 2.017 49 L HA -0.259 4.094 4.340 0.021 0.000 0.208 49 L C 0.794 177.687 176.870 0.038 0.000 1.073 49 L CA 3.032 57.892 54.840 0.034 0.000 0.745 49 L CB -0.340 41.739 42.059 0.033 0.000 0.894 49 L HN -0.227 8.004 8.230 0.044 0.025 0.432 50 A N -3.759 119.097 122.820 0.061 0.000 2.015 50 A HA -0.237 4.095 4.320 0.021 0.000 0.219 50 A C 2.113 179.712 177.584 0.024 0.000 1.163 50 A CA 2.565 54.624 52.037 0.038 0.000 0.646 50 A CB -0.964 18.062 19.000 0.044 0.000 0.806 50 A HN -0.447 7.759 8.150 0.094 0.000 0.448 51 V N -1.158 118.778 119.914 0.038 0.000 2.379 51 V HA -0.555 3.576 4.120 0.019 0.000 0.245 51 V C 2.179 178.281 176.094 0.014 0.000 1.044 51 V CA 4.053 66.368 62.300 0.026 0.000 1.036 51 V CB -0.223 31.621 31.823 0.035 0.000 0.664 51 V HN -0.704 7.391 8.190 0.054 0.127 0.453 52 R N -0.868 119.641 120.500 0.015 0.000 2.096 52 R HA -0.278 4.066 4.340 0.008 0.000 0.235 52 R C 2.146 178.448 176.300 0.003 0.000 1.127 52 R CA 3.381 59.486 56.100 0.008 0.000 0.968 52 R CB -0.233 30.072 30.300 0.008 0.000 0.861 52 R HN -0.316 7.965 8.270 0.020 0.000 0.440 53 R N -3.716 116.784 120.500 0.001 0.000 2.093 53 R HA -0.131 4.205 4.340 -0.007 0.000 0.224 53 R C 0.750 177.043 176.300 -0.013 0.000 1.101 53 R CA 2.639 58.735 56.100 -0.007 0.000 0.979 53 R CB 0.279 30.573 30.300 -0.010 0.000 0.877 53 R HN -0.629 7.630 8.270 0.005 0.014 0.441 54 A N -3.031 119.781 122.820 -0.012 0.000 1.942 54 A HA 0.149 4.454 4.320 -0.025 0.000 0.209 54 A C 1.436 179.012 177.584 -0.014 0.000 1.214 54 A CA 1.320 53.345 52.037 -0.019 0.000 0.686 54 A CB 0.505 19.490 19.000 -0.026 0.000 0.871 54 A HN -0.651 7.495 8.150 -0.007 0.000 0.460 55 A N -0.376 122.441 122.820 -0.006 0.000 1.948 55 A HA -0.133 4.185 4.320 -0.005 0.000 0.220 55 A C -0.952 176.629 177.584 -0.004 0.000 1.177 55 A CA 4.183 56.218 52.037 -0.003 0.000 0.636 55 A CB -2.327 16.675 19.000 0.003 0.000 0.815 55 A HN 0.035 8.183 8.150 -0.003 0.000 0.449 56 P HA -0.216 4.204 4.420 0.001 0.000 0.222 56 P C -0.280 177.017 177.300 -0.005 0.000 1.147 56 P CA 1.685 64.784 63.100 -0.002 0.000 0.790 56 P CB -0.330 31.370 31.700 -0.000 0.000 0.780 57 A N -5.323 117.490 122.820 -0.011 0.000 2.218 57 A HA 0.157 4.466 4.320 -0.017 0.000 0.209 57 A C -1.379 176.193 177.584 -0.019 0.000 1.168 57 A CA -0.471 51.556 52.037 -0.017 0.000 0.804 57 A CB 0.929 19.916 19.000 -0.021 0.000 0.834 57 A HN -0.554 7.551 8.150 -0.012 0.037 0.482 58 V N -0.250 119.655 119.914 -0.016 0.000 2.383 58 V HA 0.440 4.711 4.120 -0.021 -0.163 0.275 58 V C -0.316 175.765 176.094 -0.023 0.000 1.036 58 V CA -0.098 62.191 62.300 -0.019 0.000 0.889 58 V CB 0.761 32.575 31.823 -0.014 0.000 0.985 58 V HN -0.853 7.286 8.190 -0.013 0.043 0.459 59 V N 0.135 120.030 119.914 -0.033 0.000 3.019 59 V HA 0.492 4.586 4.120 -0.044 0.000 0.317 59 V C -1.963 174.085 176.094 -0.077 0.000 1.094 59 V CA -3.636 58.635 62.300 -0.049 0.000 1.000 59 V CB 3.128 34.925 31.823 -0.044 0.000 1.060 59 V HN 0.200 8.371 8.190 -0.033 0.000 0.443 60 N N -0.053 118.565 118.700 -0.137 0.000 2.524 60 N HA 0.233 4.889 4.740 -0.140 0.000 0.283 60 N C -0.887 174.454 175.510 -0.281 0.000 1.142 60 N CA -0.805 52.110 53.050 -0.224 0.000 0.984 60 N CB 1.873 40.139 38.487 -0.369 0.000 1.155 60 N HN -0.344 7.948 8.380 -0.145 0.000 0.467 61 V N 2.805 122.594 119.914 -0.208 0.000 2.531 61 V HA 0.544 4.749 4.120 -0.141 -0.170 0.301 61 V C -1.819 174.323 176.094 0.079 0.000 1.034 61 V CA -1.152 61.085 62.300 -0.105 0.000 0.865 61 V CB 2.456 34.260 31.823 -0.031 0.000 0.995 61 V HN 0.286 8.398 8.190 -0.130 0.000 0.424 62 Y N 4.448 124.754 120.300 0.010 0.000 2.602 62 Y HA 0.526 5.196 4.550 0.008 -0.115 0.342 62 Y C -1.224 174.680 175.900 0.008 0.000 1.029 62 Y CA -2.542 55.564 58.100 0.009 0.000 1.080 62 Y CB 5.062 43.529 38.460 0.011 0.000 1.284 62 Y HN 0.833 9.176 8.280 0.105 0.000 0.485 63 N N 0.176 118.973 118.700 0.161 0.000 2.314 63 N HA 0.614 5.618 4.740 0.085 -0.214 0.304 63 N C -1.689 173.846 175.510 0.042 0.000 1.073 63 N CA -1.367 51.730 53.050 0.079 0.000 0.822 63 N CB 3.607 42.121 38.487 0.045 0.000 1.280 63 N HN 0.220 8.672 8.380 0.120 0.000 0.489 64 R N 5.900 126.424 120.500 0.039 0.000 2.587 64 R HA 0.619 5.121 4.340 0.003 -0.160 0.283 64 R C -0.701 175.606 176.300 0.011 0.000 1.472 64 R CA -1.656 54.456 56.100 0.020 0.000 1.578 64 R CB 0.737 31.057 30.300 0.034 0.000 1.130 64 R HN -0.009 8.287 8.270 0.044 0.000 0.602 65 G N 3.503 112.304 108.800 0.002 0.000 2.580 65 G HA2 0.256 4.220 3.960 0.006 0.000 0.278 65 G HA3 0.256 4.359 3.960 0.001 -0.143 0.278 65 G C -2.472 172.427 174.900 -0.002 0.000 1.212 65 G CA -0.251 44.850 45.100 0.002 0.000 0.939 65 G HN -0.030 8.257 8.290 -0.004 0.000 0.513 76 I N 2.745 123.267 120.570 -0.079 0.000 2.382 76 I HA 0.390 4.682 4.170 -0.101 -0.183 0.286 76 I C -0.415 175.579 176.117 -0.205 0.000 1.002 76 I CA -1.061 60.159 61.300 -0.133 0.000 1.135 76 I CB 1.204 39.112 38.000 -0.154 0.000 1.288 76 I HN 0.366 8.527 8.210 -0.082 0.000 0.448 77 R N 7.670 128.057 120.500 -0.189 0.000 2.664 77 R HA 0.455 4.687 4.340 -0.180 0.000 0.286 77 R C -1.309 174.853 176.300 -0.229 0.000 0.967 77 R CA -2.058 53.939 56.100 -0.172 0.000 0.933 77 R CB 2.709 32.970 30.300 -0.065 0.000 1.146 77 R HN 0.105 8.293 8.270 -0.137 0.000 0.468 78 T N 3.147 117.596 114.554 -0.175 0.000 2.729 78 T HA -0.006 4.456 4.350 0.187 0.000 0.296 78 T C -0.118 174.656 174.700 0.124 0.000 0.928 78 T CA -0.440 61.685 62.100 0.041 0.000 1.045 78 T CB 0.095 69.028 68.868 0.108 0.000 0.902 78 T HN 0.282 8.433 8.240 -0.147 0.000 0.500 79 L N 8.030 129.370 121.223 0.195 0.000 2.130 79 L HA 0.120 4.512 4.340 0.086 0.000 0.200 79 L C 0.254 177.176 176.870 0.087 0.000 1.075 79 L CA 0.945 55.851 54.840 0.110 0.000 0.768 79 L CB 0.402 42.515 42.059 0.089 0.000 0.933 79 L HN 0.249 8.664 8.230 0.308 0.000 0.451 80 G N -5.438 103.413 108.800 0.085 0.000 2.392 80 G HA2 0.103 4.103 3.960 0.068 0.000 0.260 80 G HA3 0.103 4.074 3.960 0.020 0.000 0.260 80 G C -2.661 172.250 174.900 0.018 0.000 1.226 80 G CA -0.004 45.124 45.100 0.048 0.000 0.913 80 G HN -0.729 7.626 8.290 0.108 0.000 0.483 81 S N 0.077 115.776 115.700 -0.003 0.000 2.766 81 S HA 1.011 5.597 4.470 -0.027 -0.133 0.307 81 S C -1.067 173.513 174.600 -0.033 0.000 1.121 81 S CA -1.257 56.932 58.200 -0.018 0.000 0.980 81 S CB 3.020 66.217 63.200 -0.004 0.000 1.159 81 S HN -0.301 8.007 8.310 -0.003 0.000 0.546 82 G N -2.324 106.455 108.800 -0.034 0.000 2.608 82 G HA2 0.680 4.862 3.960 -0.033 0.000 0.291 82 G HA3 0.680 4.617 3.960 -0.038 0.000 0.291 82 G C -3.154 171.729 174.900 -0.028 0.000 1.425 82 G CA 0.275 45.355 45.100 -0.034 0.000 0.787 82 G HN -0.257 8.013 8.290 -0.033 0.000 0.484 83 V N -0.244 119.656 119.914 -0.023 0.000 2.569 83 V HA 0.375 4.621 4.120 -0.021 -0.138 0.301 83 V C -0.983 175.101 176.094 -0.017 0.000 1.044 83 V CA -1.247 61.042 62.300 -0.019 0.000 0.874 83 V CB 3.594 35.410 31.823 -0.013 0.000 1.002 83 V HN 0.086 8.263 8.190 -0.021 0.000 0.424 84 I N 8.091 128.646 120.570 -0.025 0.000 2.505 84 I HA -0.080 4.200 4.170 -0.029 -0.127 0.287 84 I C 0.092 176.202 176.117 -0.012 0.000 1.104 84 I CA 1.254 62.537 61.300 -0.029 0.000 1.387 84 I CB -0.359 37.611 38.000 -0.051 0.000 1.404 84 I HN 0.447 8.641 8.210 -0.028 0.000 0.528 85 M N 6.380 125.988 119.600 0.012 0.000 2.357 85 M HA 0.012 4.498 4.480 0.011 0.000 0.266 85 M C 0.067 176.381 176.300 0.024 0.000 1.095 85 M CA -0.076 55.237 55.300 0.023 0.000 1.156 85 M CB 0.291 32.916 32.600 0.041 0.000 1.365 85 M HN 0.197 8.503 8.290 0.026 0.000 0.447 86 D N -5.444 114.978 120.400 0.037 0.000 2.664 86 D HA 0.179 4.829 4.640 0.017 0.000 0.292 86 D C 0.346 176.647 176.300 0.002 0.000 1.214 86 D CA -1.035 52.985 54.000 0.033 0.000 0.932 86 D CB 1.047 41.892 40.800 0.074 0.000 1.420 86 D HN -0.842 7.555 8.370 0.044 0.000 0.471 87 Q N -2.086 117.711 119.800 -0.003 0.000 2.311 87 Q HA -0.146 4.164 4.340 -0.051 0.000 0.203 87 Q C 0.870 176.835 176.000 -0.058 0.000 0.954 87 Q CA 1.831 57.614 55.803 -0.034 0.000 0.885 87 Q CB -0.093 28.633 28.738 -0.020 0.000 0.963 87 Q HN 0.402 8.677 8.270 0.009 0.000 0.471 88 R N -2.776 117.707 120.500 -0.027 0.000 2.152 88 R HA -0.228 4.063 4.340 -0.082 0.000 0.232 88 R C 0.535 176.678 176.300 -0.261 0.000 1.117 88 R CA 0.897 56.946 56.100 -0.086 0.000 0.981 88 R CB 0.294 30.626 30.300 0.053 0.000 0.870 88 R HN -0.201 8.139 8.270 0.025 -0.056 0.451 89 G N -4.866 103.794 108.800 -0.234 0.000 2.143 89 G HA2 -0.340 3.463 3.960 -0.261 0.000 0.175 89 G HA3 -0.340 3.582 3.960 -0.364 -0.180 0.175 89 G C -0.686 174.018 174.900 -0.327 0.000 1.004 89 G CA -0.394 44.519 45.100 -0.311 0.000 0.671 89 G HN -0.607 7.742 8.290 -0.128 -0.136 0.512 90 Y N 0.362 120.612 120.300 -0.082 0.000 2.309 90 Y HA 0.320 5.021 4.550 -0.065 -0.190 0.327 90 Y C -0.725 175.135 175.900 -0.066 0.000 1.172 90 Y CA 1.021 59.082 58.100 -0.065 0.000 1.280 90 Y CB 1.402 39.835 38.460 -0.045 0.000 1.234 90 Y HN -0.738 7.784 8.280 -0.018 -0.253 0.512 91 I N -0.302 120.333 120.570 0.108 0.000 2.647 91 I HA 0.561 4.922 4.170 0.024 -0.176 0.295 91 I C -1.119 175.018 176.117 0.034 0.000 1.078 91 I CA -1.594 59.727 61.300 0.034 0.000 1.048 91 I CB 4.558 42.550 38.000 -0.014 0.000 1.239 91 I HN 0.438 8.732 8.210 0.140 0.000 0.421 92 I N 4.970 125.546 120.570 0.010 0.000 2.460 92 I HA 0.827 5.176 4.170 -0.003 -0.181 0.298 92 I C -0.894 175.210 176.117 -0.022 0.000 0.989 92 I CA -1.399 59.898 61.300 -0.005 0.000 1.173 92 I CB 2.803 40.799 38.000 -0.007 0.000 1.338 92 I HN 0.282 8.495 8.210 0.005 0.000 0.456 93 T N 4.140 118.672 114.554 -0.036 0.000 2.739 93 T HA 0.305 4.622 4.350 -0.056 0.000 0.303 93 T C -2.186 172.462 174.700 -0.087 0.000 1.389 93 T CA -2.467 59.597 62.100 -0.061 0.000 1.001 93 T CB 1.656 70.484 68.868 -0.065 0.000 1.436 93 T HN 0.396 8.616 8.240 -0.035 0.000 0.500 94 N N 0.737 119.348 118.700 -0.149 0.000 2.530 94 N HA 0.114 4.992 4.740 -0.104 -0.200 0.273 94 N C 0.943 176.322 175.510 -0.217 0.000 1.173 94 N CA 0.212 53.143 53.050 -0.199 0.000 0.967 94 N CB 0.621 38.889 38.487 -0.366 0.000 1.109 94 N HN 0.317 8.595 8.380 -0.169 0.000 0.453 95 K N 3.838 124.182 120.400 -0.093 0.000 2.147 95 K HA -0.326 3.966 4.320 -0.047 0.000 0.205 95 K C 2.161 178.739 176.600 -0.036 0.000 1.049 95 K CA 3.130 59.392 56.287 -0.042 0.000 0.936 95 K CB 0.164 32.672 32.500 0.013 0.000 0.722 95 K HN 0.091 8.327 8.250 -0.039 -0.009 0.446 96 H N -4.051 115.021 119.070 0.003 0.000 2.495 96 H HA -0.067 4.494 4.556 0.008 0.000 0.287 96 H C 1.383 176.720 175.328 0.014 0.000 1.033 96 H CA 2.372 58.425 56.048 0.008 0.000 1.307 96 H CB -0.277 29.488 29.762 0.006 0.000 1.401 96 H HN -0.431 8.047 8.280 0.021 -0.185 0.555 97 V N -0.775 118.859 119.914 -0.466 0.000 2.453 97 V HA -0.229 3.804 4.120 -0.145 0.000 0.247 97 V C 0.731 176.779 176.094 -0.077 0.000 1.048 97 V CA 2.803 64.956 62.300 -0.245 0.000 1.049 97 V CB 0.576 32.233 31.823 -0.277 0.000 0.672 97 V HN -0.673 6.973 8.190 -0.675 0.139 0.457 98 I N -8.706 111.822 120.570 -0.070 0.000 3.941 98 I HA 0.174 4.340 4.170 -0.006 0.000 0.335 98 I C 0.091 176.208 176.117 0.000 0.000 1.402 98 I CA -1.622 59.666 61.300 -0.021 0.000 1.112 98 I CB -0.118 37.868 38.000 -0.023 0.000 1.043 98 I HN -0.798 7.353 8.210 -0.098 0.000 0.395 99 N N 2.229 120.935 118.700 0.010 0.000 2.166 99 N HA -0.212 4.540 4.740 0.021 0.000 0.186 99 N C -0.034 175.491 175.510 0.024 0.000 1.019 99 N CA 2.297 55.362 53.050 0.026 0.000 0.856 99 N CB 0.129 38.645 38.487 0.048 0.000 0.993 99 N HN -0.432 7.895 8.380 0.010 0.059 0.426 100 D N -0.790 119.626 120.400 0.026 0.000 2.502 100 D HA 0.125 4.778 4.640 0.021 0.000 0.301 100 D C -1.953 174.361 176.300 0.023 0.000 1.202 100 D CA -0.137 53.877 54.000 0.023 0.000 0.878 100 D CB -1.007 39.808 40.800 0.025 0.000 1.062 100 D HN -0.032 8.355 8.370 0.029 0.000 0.499 101 A N 0.415 123.248 122.820 0.021 0.000 2.291 101 A HA 0.225 4.661 4.320 0.026 -0.101 0.311 101 A C -0.935 176.663 177.584 0.022 0.000 1.224 101 A CA -0.918 51.134 52.037 0.025 0.000 0.821 101 A CB 1.248 20.265 19.000 0.027 0.000 1.172 101 A HN -0.088 8.073 8.150 0.020 0.000 0.494 102 D N 3.327 123.740 120.400 0.021 0.000 2.097 102 D HA -0.131 4.519 4.640 0.016 0.000 0.197 102 D C 0.212 176.525 176.300 0.021 0.000 0.984 102 D CA 2.099 56.110 54.000 0.018 0.000 0.826 102 D CB 0.692 41.501 40.800 0.015 0.000 0.973 102 D HN 0.152 8.675 8.370 0.021 -0.140 0.460 103 Q N -1.918 117.898 119.800 0.027 0.000 2.263 103 Q HA 0.240 4.598 4.340 0.029 0.000 0.266 103 Q C -2.074 173.954 176.000 0.046 0.000 1.002 103 Q CA -0.484 55.339 55.803 0.033 0.000 0.790 103 Q CB 2.950 31.706 28.738 0.031 0.000 1.272 103 Q HN -0.648 7.890 8.270 0.029 -0.250 0.435 104 I N 7.058 127.655 120.570 0.045 0.000 2.353 104 I HA 0.416 4.809 4.170 0.065 -0.184 0.293 104 I C -0.897 175.258 176.117 0.063 0.000 0.992 104 I CA -0.556 60.776 61.300 0.054 0.000 1.268 104 I CB 1.402 39.423 38.000 0.036 0.000 1.387 104 I HN 0.543 8.776 8.210 0.038 0.000 0.478 105 I N 6.715 127.336 120.570 0.085 0.000 2.608 105 I HA 0.530 4.879 4.170 0.075 -0.133 0.295 105 I C -1.447 174.682 176.117 0.019 0.000 1.049 105 I CA -1.363 59.985 61.300 0.080 0.000 1.063 105 I CB 3.947 42.024 38.000 0.129 0.000 1.248 105 I HN 0.068 8.341 8.210 0.106 0.000 0.424 106 V N 5.084 125.011 119.914 0.021 0.000 2.604 106 V HA 0.718 4.968 4.120 -0.104 -0.192 0.305 106 V C -2.134 173.953 176.094 -0.011 0.000 1.043 106 V CA -2.331 59.956 62.300 -0.022 0.000 0.888 106 V CB 4.001 35.840 31.823 0.027 0.000 0.995 106 V HN 0.532 8.765 8.190 0.071 0.000 0.429 107 A N 6.151 128.902 122.820 -0.115 0.000 2.375 107 A HA 0.717 5.174 4.320 -0.038 -0.160 0.291 107 A C -1.242 176.312 177.584 -0.050 0.000 1.160 107 A CA -1.788 50.189 52.037 -0.100 0.000 0.747 107 A CB 2.211 21.074 19.000 -0.229 0.000 1.170 107 A HN 0.262 8.308 8.150 -0.173 0.000 0.458 108 L N 3.713 124.952 121.223 0.027 0.000 2.475 108 L HA 0.001 4.351 4.340 0.017 0.000 0.253 108 L C 1.772 178.645 176.870 0.006 0.000 1.198 108 L CA 0.151 55.011 54.840 0.033 0.000 0.814 108 L CB 0.802 42.918 42.059 0.096 0.000 1.134 108 L HN -0.033 8.237 8.230 0.067 0.000 0.478 109 Q N 0.464 120.268 119.800 0.007 0.000 2.311 109 Q HA -0.200 4.138 4.340 -0.002 0.000 0.203 109 Q C 0.380 176.384 176.000 0.006 0.000 0.954 109 Q CA 2.361 58.165 55.803 0.003 0.000 0.885 109 Q CB -0.123 28.617 28.738 0.003 0.000 0.963 109 Q HN 0.872 9.148 8.270 0.010 0.000 0.471 110 D N -5.696 114.713 120.400 0.014 0.000 2.355 110 D HA -0.062 4.583 4.640 0.008 0.000 0.218 110 D C 0.513 176.814 176.300 0.003 0.000 1.004 110 D CA -0.210 53.797 54.000 0.012 0.000 0.880 110 D CB -0.382 40.431 40.800 0.021 0.000 0.911 110 D HN -0.466 7.881 8.370 0.022 0.035 0.528 111 G N -1.153 107.645 108.800 -0.003 0.000 2.211 111 G HA2 -0.382 3.567 3.960 -0.018 0.000 0.201 111 G HA3 -0.382 3.565 3.960 -0.021 0.000 0.201 111 G C -0.259 174.610 174.900 -0.051 0.000 0.997 111 G CA -0.446 44.641 45.100 -0.021 0.000 0.652 111 G HN -0.679 7.567 8.290 0.001 0.045 0.500 112 R N 0.895 121.363 120.500 -0.052 0.000 2.582 112 R HA 0.116 4.326 4.340 -0.218 0.000 0.271 112 R C -1.138 175.035 176.300 -0.212 0.000 1.078 112 R CA 0.159 56.157 56.100 -0.170 0.000 1.127 112 R CB 1.571 31.792 30.300 -0.132 0.000 1.038 112 R HN -0.164 8.414 8.270 -0.010 -0.313 0.500 113 V N 1.475 121.128 119.914 -0.436 0.000 2.462 113 V HA 0.477 4.707 4.120 -0.124 -0.184 0.288 113 V C -0.886 174.956 176.094 -0.420 0.000 1.020 113 V CA -0.807 61.327 62.300 -0.277 0.000 0.857 113 V CB 1.663 33.400 31.823 -0.144 0.000 1.013 113 V HN 0.163 7.996 8.190 -0.596 0.000 0.431 114 F N 6.507 126.437 119.950 -0.033 0.000 2.483 114 F HA 0.357 4.870 4.527 -0.023 0.000 0.329 114 F C -0.916 174.870 175.800 -0.023 0.000 1.064 114 F CA -1.764 56.218 58.000 -0.029 0.000 0.986 114 F CB 3.203 42.180 39.000 -0.039 0.000 1.218 114 F HN 0.127 8.575 8.300 0.246 0.000 0.484 115 E N 1.093 121.397 120.200 0.174 0.000 2.266 115 E HA 0.342 4.869 4.350 0.090 -0.123 0.277 115 E C -1.705 174.947 176.600 0.087 0.000 1.018 115 E CA -1.063 55.398 56.400 0.102 0.000 0.840 115 E CB 2.061 31.799 29.700 0.064 0.000 1.082 115 E HN 0.311 8.774 8.360 0.173 0.000 0.395 116 A N 4.636 127.487 122.820 0.052 0.000 2.350 116 A HA 0.935 5.464 4.320 0.003 -0.207 0.324 116 A C -1.974 175.619 177.584 0.014 0.000 1.118 116 A CA -1.896 50.152 52.037 0.018 0.000 0.783 116 A CB 3.141 22.146 19.000 0.009 0.000 1.236 116 A HN 0.089 8.270 8.150 0.051 0.000 0.457 117 L N 0.347 121.572 121.223 0.003 0.000 2.329 117 L HA 0.372 4.721 4.340 0.015 0.000 0.279 117 L C -0.770 176.112 176.870 0.019 0.000 1.014 117 L CA -1.583 53.264 54.840 0.011 0.000 0.814 117 L CB 2.593 44.656 42.059 0.007 0.000 1.257 117 L HN 0.019 8.242 8.230 -0.011 0.000 0.424 118 L N 3.737 124.973 121.223 0.022 0.000 2.530 118 L HA -0.137 4.220 4.340 0.027 0.000 0.273 118 L C 0.055 176.947 176.870 0.037 0.000 1.141 118 L CA 0.797 55.652 54.840 0.026 0.000 0.905 118 L CB -0.607 41.464 42.059 0.019 0.000 1.202 118 L HN 0.358 8.600 8.230 0.020 0.000 0.473 119 V N 6.753 126.701 119.914 0.058 0.000 2.548 119 V HA -0.196 3.970 4.120 0.078 0.000 0.249 119 V C -0.332 175.785 176.094 0.038 0.000 1.055 119 V CA 1.922 64.267 62.300 0.074 0.000 1.065 119 V CB 0.493 32.394 31.823 0.131 0.000 0.681 119 V HN 0.698 8.927 8.190 0.065 0.000 0.462 120 G N -5.513 103.301 108.800 0.024 0.000 2.339 120 G HA2 -0.053 3.914 3.960 0.011 0.000 0.302 120 G HA3 -0.053 3.910 3.960 0.005 0.000 0.302 120 G C -3.416 171.486 174.900 0.003 0.000 1.425 120 G CA -0.445 44.661 45.100 0.010 0.000 0.899 120 G HN -0.901 7.405 8.290 0.026 0.000 0.619 121 S N -1.896 113.804 115.700 -0.000 0.000 2.732 121 S HA 0.324 4.857 4.470 -0.007 -0.068 0.293 121 S C -2.709 171.889 174.600 -0.003 0.000 1.159 121 S CA -1.437 56.761 58.200 -0.003 0.000 0.847 121 S CB 3.052 66.252 63.200 0.000 0.000 1.169 121 S HN -0.076 8.234 8.310 0.001 0.000 0.501 122 D N -0.435 119.964 120.400 -0.002 0.000 2.375 122 D HA 0.470 5.113 4.640 0.004 0.000 0.241 122 D C 0.324 176.631 176.300 0.011 0.000 1.361 122 D CA -0.445 53.556 54.000 0.002 0.000 0.995 122 D CB 2.424 43.222 40.800 -0.004 0.000 1.312 122 D HN -0.432 7.936 8.370 -0.003 0.000 0.576 123 S N 6.042 121.752 115.700 0.017 0.000 2.382 123 S HA -0.273 4.214 4.470 0.028 0.000 0.228 123 S C 1.601 176.223 174.600 0.037 0.000 1.027 123 S CA 3.325 61.541 58.200 0.026 0.000 0.991 123 S CB 0.137 63.350 63.200 0.023 0.000 0.823 123 S HN 0.406 8.725 8.310 0.015 0.000 0.469 124 L N 0.867 122.114 121.223 0.041 0.000 2.083 124 L HA -0.164 4.214 4.340 0.063 0.000 0.209 124 L C 0.901 177.839 176.870 0.113 0.000 1.083 124 L CA 2.534 57.415 54.840 0.067 0.000 0.752 124 L CB 0.346 42.441 42.059 0.060 0.000 0.899 124 L HN -0.324 8.050 8.230 0.033 -0.124 0.433 125 T N -7.443 107.151 114.554 0.068 0.000 3.069 125 T HA -0.048 4.338 4.350 0.060 0.000 0.252 125 T C -0.036 174.631 174.700 -0.055 0.000 1.053 125 T CA -0.787 61.318 62.100 0.009 0.000 0.964 125 T CB 1.227 70.075 68.868 -0.034 0.000 1.005 125 T HN -0.656 7.804 8.240 0.042 -0.195 0.532 126 D N 0.888 121.290 120.400 0.003 0.000 2.723 126 D HA -0.349 4.315 4.640 0.040 0.000 0.236 126 D C -1.101 175.192 176.300 -0.011 0.000 1.138 126 D CA 1.401 55.414 54.000 0.022 0.000 0.676 126 D CB -0.910 39.925 40.800 0.058 0.000 1.069 126 D HN -0.391 7.822 8.370 0.023 0.171 0.430 127 L N -3.058 118.149 121.223 -0.028 0.000 2.304 127 L HA 0.750 5.198 4.340 -0.049 -0.136 0.268 127 L C -1.786 175.066 176.870 -0.030 0.000 1.010 127 L CA -1.287 53.529 54.840 -0.040 0.000 0.813 127 L CB 3.452 45.483 42.059 -0.048 0.000 1.315 127 L HN -0.707 7.510 8.230 -0.021 0.000 0.445 128 A N -2.141 120.659 122.820 -0.033 0.000 2.555 128 A HA 0.580 5.028 4.320 -0.016 -0.138 0.297 128 A C -2.571 175.006 177.584 -0.012 0.000 1.060 128 A CA -0.351 51.673 52.037 -0.022 0.000 0.710 128 A CB 3.434 22.417 19.000 -0.028 0.000 1.282 128 A HN 0.229 8.357 8.150 -0.037 0.000 0.399 129 V N 2.861 122.778 119.914 0.004 0.000 2.417 129 V HA 0.885 5.250 4.120 0.030 -0.227 0.291 129 V C -0.991 175.141 176.094 0.063 0.000 1.024 129 V CA -1.829 60.491 62.300 0.033 0.000 0.861 129 V CB 1.842 33.678 31.823 0.021 0.000 0.985 129 V HN 0.212 8.405 8.190 0.004 0.000 0.436 130 L N 6.075 127.340 121.223 0.070 0.000 2.313 130 L HA 0.722 5.242 4.340 0.050 -0.150 0.268 130 L C -1.333 175.570 176.870 0.055 0.000 1.010 130 L CA -1.789 53.081 54.840 0.050 0.000 0.814 130 L CB 2.955 45.020 42.059 0.010 0.000 1.304 130 L HN 0.773 8.936 8.230 0.064 0.105 0.441 131 K N 0.135 120.523 120.400 -0.020 0.000 2.422 131 K HA 0.598 4.914 4.320 -0.256 -0.150 0.251 131 K C -1.570 174.935 176.600 -0.159 0.000 0.933 131 K CA -1.759 54.431 56.287 -0.161 0.000 0.798 131 K CB 3.178 35.572 32.500 -0.177 0.000 1.238 131 K HN 0.083 8.325 8.250 -0.013 0.000 0.428 132 I N -1.019 119.404 120.570 -0.244 0.000 2.894 132 I HA 0.453 4.548 4.170 -0.125 0.000 0.302 132 I C -2.057 173.904 176.117 -0.259 0.000 1.188 132 I CA -1.551 59.618 61.300 -0.218 0.000 1.014 132 I CB 3.667 41.482 38.000 -0.309 0.000 1.242 132 I HN -0.202 7.813 8.210 -0.324 0.000 0.430 133 N N 2.519 121.127 118.700 -0.153 0.000 2.452 133 N HA 0.002 4.662 4.740 -0.133 0.000 0.266 133 N C -0.096 175.299 175.510 -0.191 0.000 1.175 133 N CA 0.133 53.114 53.050 -0.114 0.000 0.945 133 N CB -0.038 38.454 38.487 0.008 0.000 1.063 133 N HN 0.465 8.807 8.380 -0.064 0.000 0.472 134 A N 5.383 128.093 122.820 -0.184 0.000 2.415 134 A HA 0.129 4.273 4.320 -0.293 0.000 0.309 134 A C -0.325 177.229 177.584 -0.051 0.000 1.356 134 A CA -0.646 51.281 52.037 -0.183 0.000 0.998 134 A CB -0.273 18.628 19.000 -0.165 0.000 1.145 134 A HN 0.271 8.325 8.150 -0.161 0.000 0.545 135 T N 4.521 119.099 114.554 0.040 0.000 2.855 135 T HA -0.130 4.258 4.350 0.064 0.000 0.314 135 T C 0.691 175.414 174.700 0.038 0.000 1.077 135 T CA 0.176 62.327 62.100 0.084 0.000 1.095 135 T CB 0.693 69.662 68.868 0.169 0.000 0.987 135 T HN -0.187 8.104 8.240 0.084 0.000 0.546 136 G N 0.465 109.283 108.800 0.029 0.000 2.202 136 G HA2 -0.230 3.733 3.960 0.005 0.000 0.251 136 G HA3 -0.230 3.739 3.960 0.015 0.000 0.251 136 G C -0.293 174.619 174.900 0.021 0.000 1.219 136 G CA 0.423 45.532 45.100 0.016 0.000 0.943 136 G HN 0.130 8.439 8.290 0.031 0.000 0.465 137 G N 3.242 112.047 108.800 0.008 0.000 3.081 137 G HA2 -0.267 3.694 3.960 0.003 0.000 0.603 137 G HA3 -0.267 3.703 3.960 0.018 0.000 0.603 137 G C -2.087 172.818 174.900 0.009 0.000 1.106 137 G CA -0.632 44.474 45.100 0.010 0.000 1.001 137 G HN 0.256 8.545 8.290 -0.001 0.000 0.445 138 L N 2.799 124.012 121.223 -0.015 0.000 2.385 138 L HA 0.413 4.741 4.340 -0.020 0.000 0.273 138 L C -2.113 174.741 176.870 -0.026 0.000 0.990 138 L CA -3.685 51.134 54.840 -0.035 0.000 0.821 138 L CB 3.614 45.619 42.059 -0.090 0.000 1.279 138 L HN -0.185 8.139 8.230 -0.019 -0.105 0.412 139 P HA 0.176 4.589 4.420 -0.012 0.000 0.282 139 P C -1.552 175.733 177.300 -0.025 0.000 1.262 139 P CA -0.683 62.408 63.100 -0.015 0.000 0.773 139 P CB 0.125 31.823 31.700 -0.004 0.000 0.879 140 T N -0.326 114.214 114.554 -0.023 0.000 2.912 140 T HA 0.159 4.624 4.350 -0.026 -0.131 0.288 140 T C 0.073 174.758 174.700 -0.024 0.000 1.030 140 T CA -2.688 59.398 62.100 -0.023 0.000 1.020 140 T CB 2.844 71.700 68.868 -0.019 0.000 1.056 140 T HN -0.171 8.057 8.240 -0.019 0.000 0.480 141 I N 3.126 123.681 120.570 -0.026 0.000 2.517 141 I HA 0.136 4.285 4.170 -0.034 0.000 0.285 141 I C -1.987 174.102 176.117 -0.047 0.000 1.106 141 I CA -2.871 58.408 61.300 -0.034 0.000 1.402 141 I CB 0.894 38.874 38.000 -0.033 0.000 1.399 141 I HN -0.041 8.155 8.210 -0.022 0.000 0.535 142 P HA -0.032 4.353 4.420 -0.058 0.000 0.261 142 P C -1.930 175.300 177.300 -0.116 0.000 1.183 142 P CA 0.347 63.404 63.100 -0.072 0.000 0.761 142 P CB 0.188 31.847 31.700 -0.068 0.000 0.785 143 I N 2.681 123.183 120.570 -0.114 0.000 2.545 143 I HA 0.194 4.193 4.170 -0.285 0.000 0.292 143 I C -1.365 174.661 176.117 -0.152 0.000 1.040 143 I CA -0.658 60.536 61.300 -0.175 0.000 1.068 143 I CB 3.122 41.069 38.000 -0.087 0.000 1.251 143 I HN -0.046 8.115 8.210 -0.082 0.000 0.424 144 N N 6.094 124.647 118.700 -0.244 0.000 2.576 144 N HA 0.115 4.819 4.740 -0.060 0.000 0.269 144 N C 0.016 175.517 175.510 -0.014 0.000 1.058 144 N CA -0.923 52.055 53.050 -0.120 0.000 0.860 144 N CB 0.827 39.241 38.487 -0.121 0.000 1.249 144 N HN 0.153 8.272 8.380 -0.435 0.000 0.525 145 A N 5.398 128.282 122.820 0.106 0.000 2.067 145 A HA -0.048 4.551 4.320 0.464 0.000 0.219 145 A C 0.662 178.354 177.584 0.180 0.000 1.158 145 A CA 1.936 54.117 52.037 0.239 0.000 0.661 145 A CB -0.021 19.066 19.000 0.145 0.000 0.801 145 A HN 0.603 8.794 8.150 0.068 0.000 0.452 146 R N -4.014 116.548 120.500 0.102 0.000 2.240 146 R HA 0.003 4.385 4.340 0.069 0.000 0.203 146 R C 0.331 176.677 176.300 0.077 0.000 1.011 146 R CA -0.501 55.643 56.100 0.073 0.000 1.007 146 R CB 0.059 30.385 30.300 0.042 0.000 0.911 146 R HN -0.550 7.965 8.270 0.073 -0.201 0.468 147 R N 1.924 122.477 120.500 0.088 0.000 2.401 147 R HA -0.094 4.266 4.340 0.032 0.000 0.299 147 R C -0.519 175.837 176.300 0.092 0.000 1.064 147 R CA 0.139 56.273 56.100 0.057 0.000 1.000 147 R CB -0.010 30.282 30.300 -0.013 0.000 0.973 147 R HN -0.677 7.643 8.270 0.089 0.003 0.438 148 V N 7.752 127.652 119.914 -0.023 0.000 2.333 148 V HA 0.181 4.265 4.120 -0.060 0.000 0.274 148 V C -1.790 174.085 176.094 -0.365 0.000 1.028 148 V CA -2.860 59.350 62.300 -0.150 0.000 0.851 148 V CB 0.832 32.539 31.823 -0.194 0.000 1.000 148 V HN 0.081 8.249 8.190 -0.037 0.000 0.456 149 P HA 0.045 4.399 4.420 -0.110 0.000 0.271 149 P C -1.505 175.634 177.300 -0.268 0.000 1.220 149 P CA -0.225 62.786 63.100 -0.148 0.000 0.768 149 P CB 0.557 32.267 31.700 0.018 0.000 0.848 150 H N 2.854 121.944 119.070 0.034 0.000 2.569 150 H HA 0.265 4.834 4.556 0.021 0.000 0.357 150 H C -0.036 175.298 175.328 0.011 0.000 1.153 150 H CA -1.908 54.152 56.048 0.020 0.000 1.193 150 H CB 3.540 33.312 29.762 0.016 0.000 1.602 150 H HN -0.081 8.494 8.280 0.002 -0.294 0.523 151 I N 2.477 123.136 120.570 0.149 0.000 2.668 151 I HA -0.589 3.730 4.170 0.051 -0.118 0.285 151 I C 1.235 177.386 176.117 0.057 0.000 1.168 151 I CA 2.170 63.513 61.300 0.071 0.000 1.424 151 I CB -0.723 37.307 38.000 0.049 0.000 1.377 151 I HN 0.598 8.908 8.210 0.167 0.000 0.560 152 G N 7.127 115.946 108.800 0.032 0.000 2.218 152 G HA2 -0.358 3.607 3.960 0.008 0.000 0.216 152 G HA3 -0.358 3.615 3.960 0.021 0.000 0.216 152 G C -0.402 174.508 174.900 0.016 0.000 0.994 152 G CA -0.609 44.502 45.100 0.019 0.000 0.637 152 G HN 0.369 8.672 8.290 0.022 0.000 0.505 153 D N 2.561 122.979 120.400 0.030 0.000 2.493 153 D HA -0.098 4.554 4.640 0.020 0.000 0.240 153 D C 0.032 176.312 176.300 -0.034 0.000 1.142 153 D CA 1.591 55.599 54.000 0.013 0.000 0.872 153 D CB 0.478 41.294 40.800 0.025 0.000 1.173 153 D HN -0.446 7.892 8.370 0.049 0.061 0.467 154 V N 2.527 122.399 119.914 -0.069 0.000 2.655 154 V HA 0.000 4.195 4.120 -0.147 -0.163 0.300 154 V C -0.131 175.854 176.094 -0.181 0.000 1.044 154 V CA 0.963 63.165 62.300 -0.163 0.000 1.095 154 V CB 0.236 31.889 31.823 -0.284 0.000 0.952 154 V HN 0.156 8.315 8.190 -0.052 0.000 0.485 155 V N 0.278 120.082 119.914 -0.183 0.000 2.925 155 V HA 0.984 5.210 4.120 -0.146 -0.194 0.311 155 V C -1.658 174.347 176.094 -0.149 0.000 1.104 155 V CA -2.985 59.228 62.300 -0.144 0.000 0.954 155 V CB 3.896 35.671 31.823 -0.081 0.000 1.022 155 V HN -0.005 8.078 8.190 -0.178 0.000 0.427 156 L N 1.875 123.027 121.223 -0.119 0.000 2.322 156 L HA 0.805 5.285 4.340 -0.080 -0.187 0.281 156 L C -0.959 175.884 176.870 -0.044 0.000 1.014 156 L CA -2.149 52.644 54.840 -0.079 0.000 0.815 156 L CB 2.661 44.683 42.059 -0.062 0.000 1.247 156 L HN 0.534 8.699 8.230 -0.109 0.000 0.421 157 A N 3.485 126.289 122.820 -0.027 0.000 2.252 157 A HA 0.648 5.117 4.320 -0.012 -0.156 0.309 157 A C -1.206 176.376 177.584 -0.003 0.000 1.285 157 A CA -1.605 50.425 52.037 -0.011 0.000 0.900 157 A CB 1.419 20.417 19.000 -0.003 0.000 1.157 157 A HN 0.651 8.786 8.150 -0.026 0.000 0.536 158 I N 4.716 125.285 120.570 -0.003 0.000 2.354 158 I HA 0.307 4.479 4.170 0.004 0.000 0.286 158 I C -1.069 175.050 176.117 0.004 0.000 1.007 158 I CA -1.052 60.248 61.300 0.001 0.000 1.167 158 I CB 1.166 39.164 38.000 -0.004 0.000 1.320 158 I HN 0.476 8.683 8.210 -0.005 0.000 0.458 159 G N 5.427 114.232 108.800 0.009 0.000 2.533 159 G HA2 0.383 4.348 3.960 0.008 0.000 0.304 159 G HA3 0.383 4.473 3.960 0.019 -0.119 0.304 159 G C -3.030 171.878 174.900 0.012 0.000 1.263 159 G CA -1.184 43.924 45.100 0.012 0.000 0.964 159 G HN 0.123 8.419 8.290 0.011 0.000 0.479 160 N N 1.004 119.709 118.700 0.009 0.000 2.790 160 N HA 0.640 5.388 4.740 0.013 0.000 0.256 160 N C -2.315 173.210 175.510 0.024 0.000 1.409 160 N CA -3.322 49.733 53.050 0.008 0.000 0.799 160 N CB 1.536 40.014 38.487 -0.015 0.000 1.170 160 N HN -0.081 8.304 8.380 0.007 0.000 0.507 166 Q N 0.021 119.832 119.800 0.018 0.000 2.222 166 Q HA 0.226 4.680 4.340 0.017 -0.104 0.252 166 Q C -0.695 175.317 176.000 0.019 0.000 0.926 166 Q CA -0.475 55.338 55.803 0.017 0.000 0.899 166 Q CB 2.374 31.118 28.738 0.011 0.000 1.250 166 Q HN 0.065 8.345 8.270 0.017 0.000 0.441 167 V N 3.601 123.527 119.914 0.020 0.000 2.487 167 V HA 0.287 4.420 4.120 0.021 0.000 0.298 167 V C -1.776 174.330 176.094 0.019 0.000 1.028 167 V CA -0.769 61.544 62.300 0.021 0.000 0.860 167 V CB 2.211 34.048 31.823 0.024 0.000 0.991 167 V HN 0.188 8.390 8.190 0.019 0.000 0.427 168 I N 5.436 126.018 120.570 0.020 0.000 2.465 168 I HA 0.846 5.241 4.170 0.014 -0.217 0.291 168 I C -0.047 176.082 176.117 0.020 0.000 1.014 168 I CA -1.274 60.037 61.300 0.018 0.000 1.093 168 I CB 2.857 40.870 38.000 0.022 0.000 1.267 168 I HN 0.274 8.498 8.210 0.022 0.000 0.431 169 T N 4.263 118.824 114.554 0.012 0.000 2.908 169 T HA 0.387 4.748 4.350 0.017 0.000 0.290 169 T C -1.677 173.020 174.700 -0.006 0.000 1.034 169 T CA -1.951 60.154 62.100 0.010 0.000 1.010 169 T CB 2.246 71.119 68.868 0.009 0.000 1.068 169 T HN 0.176 8.420 8.240 0.007 0.000 0.481 170 Q N 4.704 124.501 119.800 -0.006 0.000 2.342 170 Q HA 0.750 5.203 4.340 -0.068 -0.154 0.267 170 Q C -1.160 174.816 176.000 -0.041 0.000 1.038 170 Q CA -1.217 54.563 55.803 -0.038 0.000 0.832 170 Q CB 3.455 32.186 28.738 -0.011 0.000 1.323 170 Q HN 0.164 8.438 8.270 0.006 0.000 0.448 171 G N 3.352 112.108 108.800 -0.073 0.000 2.753 171 G HA2 0.726 4.660 3.960 -0.042 0.000 0.303 171 G HA3 0.726 4.737 3.960 -0.050 -0.081 0.303 171 G C -2.589 172.265 174.900 -0.075 0.000 1.242 171 G CA 0.161 45.226 45.100 -0.058 0.000 0.810 171 G HN 0.310 8.537 8.290 -0.105 0.000 0.515 172 I N -5.974 114.561 120.570 -0.057 0.000 3.174 172 I HA 0.951 5.257 4.170 -0.064 -0.175 0.313 172 I C -1.149 174.941 176.117 -0.044 0.000 1.155 172 I CA -2.718 58.551 61.300 -0.051 0.000 0.977 172 I CB 4.595 42.575 38.000 -0.033 0.000 1.248 172 I HN 0.440 8.934 8.210 -0.049 -0.314 0.453 173 I N 1.444 121.997 120.570 -0.029 0.000 2.406 173 I HA 0.045 4.334 4.170 -0.033 -0.138 0.293 173 I C 0.556 176.660 176.117 -0.022 0.000 1.101 173 I CA 0.478 61.765 61.300 -0.022 0.000 1.334 173 I CB -1.385 36.615 38.000 0.001 0.000 1.421 173 I HN -0.055 8.142 8.210 -0.023 0.000 0.513 174 S N 10.609 126.282 115.700 -0.045 0.000 2.357 174 S HA -0.181 4.270 4.470 -0.032 0.000 0.221 174 S C -0.639 173.943 174.600 -0.031 0.000 1.031 174 S CA 2.511 60.684 58.200 -0.045 0.000 0.982 174 S CB 0.467 63.621 63.200 -0.075 0.000 0.853 174 S HN 0.252 8.525 8.310 -0.062 0.000 0.458 175 A N -0.787 122.012 122.820 -0.037 0.000 2.455 175 A HA 0.329 4.648 4.320 -0.001 0.000 0.300 175 A C -2.314 175.273 177.584 0.005 0.000 1.040 175 A CA -0.949 51.080 52.037 -0.012 0.000 0.697 175 A CB 2.439 21.429 19.000 -0.017 0.000 1.265 175 A HN -0.735 7.383 8.150 -0.053 0.000 0.407 176 T N 1.535 116.102 114.554 0.021 0.000 2.869 176 T HA 0.013 4.381 4.350 0.031 0.000 0.295 176 T C 0.678 175.401 174.700 0.039 0.000 0.987 176 T CA -1.636 60.482 62.100 0.030 0.000 1.109 176 T CB 0.495 69.379 68.868 0.028 0.000 0.932 176 T HN 0.035 8.289 8.240 0.023 0.000 0.518 189 F N -1.028 118.996 119.950 0.124 0.000 2.411 189 F HA 0.176 4.762 4.527 0.098 0.000 0.324 189 F C 0.100 175.989 175.800 0.148 0.000 1.086 189 F CA -2.540 55.554 58.000 0.157 0.000 1.028 189 F CB 1.226 40.378 39.000 0.253 0.000 1.284 189 F HN -0.100 8.077 8.300 -0.204 0.000 0.501 190 L N 1.388 122.805 121.223 0.322 0.000 2.367 190 L HA 0.143 4.735 4.340 0.106 -0.189 0.275 190 L C -1.214 175.687 176.870 0.051 0.000 1.129 190 L CA -0.183 54.743 54.840 0.143 0.000 0.839 190 L CB 1.121 43.240 42.059 0.100 0.000 1.133 190 L HN 0.172 8.595 8.230 0.322 0.000 0.453 191 Q N 5.625 125.376 119.800 -0.081 0.000 2.266 191 Q HA 0.899 5.149 4.340 -0.462 -0.187 0.261 191 Q C -0.527 175.369 176.000 -0.174 0.000 0.985 191 Q CA -1.346 54.286 55.803 -0.285 0.000 0.873 191 Q CB 3.272 31.804 28.738 -0.343 0.000 1.306 191 Q HN 0.201 8.442 8.270 -0.047 0.000 0.447 192 T N 0.519 114.956 114.554 -0.196 0.000 2.868 192 T HA 0.686 5.149 4.350 -0.093 -0.168 0.306 192 T C -1.365 173.270 174.700 -0.109 0.000 1.224 192 T CA -2.864 59.169 62.100 -0.113 0.000 1.012 192 T CB 1.462 70.287 68.868 -0.073 0.000 1.221 192 T HN 0.190 8.269 8.240 -0.269 0.000 0.499 193 D N 3.861 124.217 120.400 -0.072 0.000 2.369 193 D HA 0.272 4.877 4.640 -0.059 0.000 0.211 193 D C -0.272 176.007 176.300 -0.035 0.000 1.077 193 D CA -1.348 52.620 54.000 -0.052 0.000 0.842 193 D CB 0.017 40.793 40.800 -0.039 0.000 0.947 193 D HN -0.024 8.308 8.370 -0.063 0.000 0.509 194 A N 1.484 124.282 122.820 -0.037 0.000 2.511 194 A HA -0.090 4.218 4.320 -0.020 0.000 0.242 194 A C -0.328 177.249 177.584 -0.012 0.000 1.069 194 A CA 0.621 52.644 52.037 -0.024 0.000 0.763 194 A CB 0.716 19.698 19.000 -0.030 0.000 1.001 194 A HN -0.667 7.414 8.150 -0.046 0.041 0.498 195 S N 1.058 116.758 115.700 -0.000 0.000 2.525 195 S HA -0.117 4.360 4.470 0.012 0.000 0.285 195 S C -1.092 173.519 174.600 0.019 0.000 1.283 195 S CA 0.399 58.606 58.200 0.011 0.000 1.072 195 S CB 0.283 63.492 63.200 0.016 0.000 0.867 195 S HN 0.119 8.429 8.310 0.000 0.000 0.492 196 I N 4.076 124.665 120.570 0.032 0.000 2.406 196 I HA 0.130 4.492 4.170 0.042 -0.167 0.290 196 I C -0.941 175.209 176.117 0.054 0.000 0.999 196 I CA -2.698 58.631 61.300 0.048 0.000 1.124 196 I CB 0.756 38.797 38.000 0.069 0.000 1.289 196 I HN 0.103 8.334 8.210 0.034 0.000 0.441 197 N N 7.102 125.834 118.700 0.054 0.000 2.732 197 N HA 0.384 5.155 4.740 0.052 0.000 0.259 197 N C -1.922 173.626 175.510 0.065 0.000 1.402 197 N CA -1.167 51.915 53.050 0.053 0.000 0.829 197 N CB -0.493 38.020 38.487 0.042 0.000 1.495 197 N HN 0.096 8.826 8.380 0.053 -0.318 0.511 198 P HA -0.169 4.323 4.420 0.121 0.000 0.216 198 P C 0.813 178.159 177.300 0.077 0.000 1.150 198 P CA 2.431 65.584 63.100 0.089 0.000 0.843 198 P CB 0.002 31.747 31.700 0.075 0.000 0.787 199 G N -5.191 103.645 108.800 0.059 0.000 2.509 199 G HA2 -0.173 3.822 3.960 0.057 0.000 0.218 199 G HA3 -0.173 3.815 3.960 0.047 0.000 0.218 199 G C -0.427 174.501 174.900 0.046 0.000 1.124 199 G CA 0.984 46.115 45.100 0.052 0.000 0.776 199 G HN 0.061 8.449 8.290 0.054 -0.065 0.547 200 N N -3.343 115.385 118.700 0.047 0.000 2.160 200 N HA 0.095 4.853 4.740 0.030 0.000 0.226 200 N C -0.453 175.083 175.510 0.044 0.000 1.256 200 N CA -1.470 51.602 53.050 0.037 0.000 0.890 200 N CB 1.473 39.978 38.487 0.030 0.000 1.116 200 N HN -0.431 7.935 8.380 0.053 0.046 0.517 201 S N 0.933 116.673 115.700 0.066 0.000 2.498 201 S HA -0.219 4.303 4.470 0.086 0.000 0.281 201 S C 0.017 174.645 174.600 0.046 0.000 1.265 201 S CA 1.844 60.098 58.200 0.090 0.000 1.071 201 S CB -0.075 63.229 63.200 0.173 0.000 0.894 201 S HN -0.282 7.953 8.310 0.074 0.119 0.491 202 G N 6.513 115.328 108.800 0.024 0.000 2.195 202 G HA2 -0.372 3.573 3.960 -0.026 0.000 0.224 202 G HA3 -0.372 3.564 3.960 -0.041 0.000 0.224 202 G C -0.789 174.104 174.900 -0.013 0.000 0.990 202 G CA -0.120 44.970 45.100 -0.018 0.000 0.639 202 G HN 0.486 8.687 8.290 0.036 0.110 0.514 203 G N 0.070 108.871 108.800 0.001 0.000 2.525 203 G HA2 0.494 4.449 3.960 -0.009 0.000 0.287 203 G HA3 0.494 4.623 3.960 0.002 -0.168 0.287 203 G C -2.401 172.498 174.900 -0.002 0.000 1.350 203 G CA -1.701 43.398 45.100 -0.002 0.000 1.039 203 G HN -0.450 7.786 8.290 0.011 0.062 0.513 204 A N -2.460 120.357 122.820 -0.005 0.000 2.303 204 A HA 0.586 5.023 4.320 -0.004 -0.119 0.317 204 A C -2.130 175.449 177.584 -0.009 0.000 1.149 204 A CA -1.645 50.387 52.037 -0.008 0.000 0.822 204 A CB 2.679 21.668 19.000 -0.017 0.000 1.131 204 A HN -0.245 7.901 8.150 -0.007 0.000 0.493 205 L N 2.793 124.012 121.223 -0.008 0.000 2.313 205 L HA 0.963 5.493 4.340 -0.020 -0.201 0.283 205 L C -1.673 175.179 176.870 -0.031 0.000 1.013 205 L CA -1.363 53.468 54.840 -0.014 0.000 0.816 205 L CB 3.455 45.514 42.059 0.000 0.000 1.236 205 L HN -0.035 8.194 8.230 -0.001 0.000 0.419 206 V N 0.444 120.329 119.914 -0.049 0.000 3.007 206 V HA 0.986 5.224 4.120 -0.082 -0.167 0.311 206 V C -1.544 174.502 176.094 -0.079 0.000 1.120 206 V CA -3.613 58.646 62.300 -0.070 0.000 0.980 206 V CB 3.852 35.636 31.823 -0.064 0.000 1.033 206 V HN 0.391 8.551 8.190 -0.050 0.000 0.429 207 N N 1.321 119.970 118.700 -0.084 0.000 2.374 207 N HA 0.505 5.380 4.740 -0.101 -0.196 0.284 207 N C 1.965 177.427 175.510 -0.080 0.000 1.280 207 N CA -1.436 51.562 53.050 -0.086 0.000 0.963 207 N CB 0.686 39.134 38.487 -0.064 0.000 1.141 207 N HN -0.276 8.049 8.380 -0.092 0.000 0.565 208 S N -0.971 114.688 115.700 -0.068 0.000 2.474 208 S HA -0.183 4.278 4.470 -0.015 0.000 0.235 208 S C 0.781 175.406 174.600 0.043 0.000 0.997 208 S CA 2.401 60.602 58.200 0.002 0.000 0.949 208 S CB -0.643 62.604 63.200 0.078 0.000 0.766 208 S HN 0.303 8.573 8.310 -0.066 0.000 0.517 209 L N -2.164 119.062 121.223 0.005 0.000 2.446 209 L HA 0.096 4.446 4.340 0.017 0.000 0.219 209 L C 0.784 177.644 176.870 -0.016 0.000 1.116 209 L CA 0.514 55.355 54.840 0.000 0.000 0.844 209 L CB 0.327 42.378 42.059 -0.013 0.000 0.970 209 L HN -0.690 7.699 8.230 -0.013 -0.167 0.457 210 G N -3.998 104.783 108.800 -0.032 0.000 2.163 210 G HA2 -0.433 3.505 3.960 -0.038 0.000 0.213 210 G HA3 -0.433 3.509 3.960 -0.030 0.000 0.213 210 G C -0.583 174.272 174.900 -0.075 0.000 0.991 210 G CA -0.417 44.658 45.100 -0.042 0.000 0.653 210 G HN -0.444 7.870 8.290 -0.039 -0.047 0.518 211 E N -0.235 119.903 120.200 -0.103 0.000 2.366 211 E HA -0.136 4.247 4.350 -0.166 -0.132 0.266 211 E C -0.927 175.541 176.600 -0.220 0.000 1.051 211 E CA -0.502 55.794 56.400 -0.172 0.000 0.884 211 E CB 1.078 30.660 29.700 -0.197 0.000 1.006 211 E HN -0.601 7.938 8.360 -0.092 -0.234 0.417 212 L N 3.510 124.554 121.223 -0.299 0.000 2.418 212 L HA -0.107 4.252 4.340 -0.159 -0.114 0.274 212 L C -0.753 175.891 176.870 -0.378 0.000 1.135 212 L CA 0.881 55.561 54.840 -0.267 0.000 0.870 212 L CB 0.294 42.230 42.059 -0.205 0.000 1.154 212 L HN -0.047 7.989 8.230 -0.323 0.000 0.462 213 M N 3.858 123.397 119.600 -0.102 0.000 2.567 213 M HA 0.203 4.786 4.480 0.172 0.000 0.261 213 M C 0.008 176.453 176.300 0.241 0.000 1.180 213 M CA -0.034 55.325 55.300 0.097 0.000 1.143 213 M CB 1.712 34.338 32.600 0.042 0.000 1.319 213 M HN 0.668 8.919 8.290 -0.065 0.000 0.490 214 G N -3.583 105.294 108.800 0.128 0.000 2.441 214 G HA2 0.248 4.427 3.960 0.143 0.000 0.294 214 G HA3 0.248 4.254 3.960 0.088 0.007 0.294 214 G C -3.017 171.912 174.900 0.048 0.000 1.393 214 G CA 0.471 45.635 45.100 0.107 0.000 0.796 214 G HN -0.616 7.715 8.290 0.069 0.000 0.494 215 I N -0.778 119.803 120.570 0.019 0.000 2.355 215 I HA 0.516 4.836 4.170 0.004 -0.148 0.288 215 I C -0.359 175.754 176.117 -0.008 0.000 0.999 215 I CA -3.282 58.016 61.300 -0.004 0.000 1.163 215 I CB 0.366 38.351 38.000 -0.025 0.000 1.316 215 I HN -0.238 8.039 8.210 0.006 -0.064 0.454 216 N N 9.167 127.873 118.700 0.011 0.000 2.412 216 N HA -0.064 4.829 4.740 0.041 -0.128 0.258 216 N C -0.406 175.129 175.510 0.042 0.000 1.236 216 N CA 1.108 54.178 53.050 0.032 0.000 0.882 216 N CB 0.280 38.788 38.487 0.035 0.000 1.066 216 N HN 0.229 8.616 8.380 0.010 0.000 0.465 217 T N 1.764 116.359 114.554 0.069 0.000 2.900 217 T HA 0.390 4.804 4.350 0.108 0.000 0.303 217 T C -2.291 172.476 174.700 0.111 0.000 1.142 217 T CA -1.207 60.940 62.100 0.079 0.000 1.007 217 T CB 2.331 71.186 68.868 -0.020 0.000 1.156 217 T HN 0.155 8.451 8.240 0.093 0.000 0.490 218 L N 2.412 123.685 121.223 0.084 0.000 2.346 218 L HA 0.350 4.732 4.340 0.070 0.000 0.274 218 L C -0.612 176.230 176.870 -0.046 0.000 1.007 218 L CA -0.130 54.722 54.840 0.020 0.000 0.818 218 L CB 1.775 43.806 42.059 -0.047 0.000 1.284 218 L HN 0.384 8.680 8.230 0.111 0.000 0.424 230 E N 0.337 120.573 120.200 0.060 0.000 2.272 230 E HA 0.285 4.671 4.350 0.061 0.000 0.269 230 E C 0.223 176.842 176.600 0.032 0.000 0.877 230 E CA 0.273 56.702 56.400 0.049 0.000 0.755 230 E CB 1.063 30.784 29.700 0.035 0.000 1.192 230 E HN -0.317 8.072 8.360 0.048 0.000 0.422 231 G N 0.748 109.566 108.800 0.030 0.000 2.213 231 G HA2 -0.245 3.723 3.960 0.014 0.000 0.236 231 G HA3 -0.245 3.719 3.960 0.007 0.000 0.236 231 G C -0.921 173.976 174.900 -0.006 0.000 0.991 231 G CA -0.298 44.809 45.100 0.012 0.000 0.629 231 G HN 0.360 8.673 8.290 0.039 0.000 0.517 232 I N 1.057 121.621 120.570 -0.009 0.000 2.412 232 I HA 0.339 4.558 4.170 -0.100 -0.109 0.296 232 I C 0.070 176.135 176.117 -0.087 0.000 0.987 232 I CA -1.938 59.308 61.300 -0.090 0.000 1.180 232 I CB 1.324 39.228 38.000 -0.160 0.000 1.340 232 I HN -0.492 7.661 8.210 0.020 0.068 0.455 233 G N 2.745 111.452 108.800 -0.156 0.000 2.489 233 G HA2 0.604 4.632 3.960 0.113 0.000 0.327 233 G HA3 0.604 4.560 3.960 -0.007 0.000 0.327 233 G C -2.528 172.224 174.900 -0.247 0.000 1.189 233 G CA -1.236 43.834 45.100 -0.051 0.000 0.962 233 G HN 0.601 8.786 8.290 -0.175 0.000 0.486 234 F N -1.664 118.321 119.950 0.058 0.000 2.532 234 F HA 0.856 5.621 4.527 0.099 -0.179 0.321 234 F C -1.888 173.933 175.800 0.035 0.000 1.089 234 F CA -1.660 56.391 58.000 0.085 0.000 0.926 234 F CB 4.631 43.725 39.000 0.156 0.000 1.168 234 F HN -0.459 8.044 8.300 0.338 0.000 0.459 235 A N 0.407 123.341 122.820 0.190 0.000 2.449 235 A HA 0.769 5.297 4.320 0.035 -0.187 0.302 235 A C -2.280 175.316 177.584 0.020 0.000 1.048 235 A CA -1.971 50.107 52.037 0.067 0.000 0.708 235 A CB 3.823 22.852 19.000 0.049 0.000 1.274 235 A HN 0.767 9.047 8.150 0.218 0.000 0.410 236 I N 1.405 121.908 120.570 -0.112 0.000 2.416 236 I HA 0.130 4.177 4.170 -0.205 0.000 0.288 236 I C -1.801 174.304 176.117 -0.020 0.000 1.051 236 I CA -2.788 58.409 61.300 -0.172 0.000 1.375 236 I CB 0.463 38.292 38.000 -0.285 0.000 1.407 236 I HN -0.135 8.005 8.210 -0.117 0.000 0.516 237 P HA -0.005 4.598 4.420 0.064 -0.145 0.264 237 P C 0.946 178.226 177.300 -0.033 0.000 1.183 237 P CA -0.041 63.062 63.100 0.006 0.000 0.763 237 P CB 0.153 31.825 31.700 -0.047 0.000 0.807 238 F N 4.170 124.110 119.950 -0.016 0.000 2.269 238 F HA -0.364 4.147 4.527 -0.027 0.000 0.301 238 F C 1.199 176.987 175.800 -0.019 0.000 1.082 238 F CA 3.390 61.377 58.000 -0.022 0.000 1.360 238 F CB -0.419 38.567 39.000 -0.024 0.000 1.041 238 F HN -0.206 8.277 8.300 0.304 0.000 0.512 239 Q N -0.547 118.710 119.800 -0.905 0.000 2.079 239 Q HA -0.305 3.716 4.340 -0.532 0.000 0.200 239 Q C 2.422 178.272 176.000 -0.249 0.000 0.974 239 Q CA 2.980 58.410 55.803 -0.622 0.000 0.840 239 Q CB -1.106 27.232 28.738 -0.666 0.000 0.898 239 Q HN 0.115 7.663 8.270 -1.163 0.024 0.430 240 L N -0.344 120.767 121.223 -0.188 0.000 2.056 240 L HA -0.252 4.041 4.340 -0.077 0.000 0.207 240 L C 1.206 178.041 176.870 -0.059 0.000 1.078 240 L CA 2.506 57.295 54.840 -0.086 0.000 0.749 240 L CB -0.696 41.341 42.059 -0.037 0.000 0.901 240 L HN -0.750 7.351 8.230 -0.215 0.000 0.433 241 A N -2.200 120.590 122.820 -0.050 0.000 1.933 241 A HA -0.370 3.928 4.320 -0.036 0.000 0.218 241 A C 2.101 179.675 177.584 -0.017 0.000 1.175 241 A CA 3.285 55.306 52.037 -0.025 0.000 0.628 241 A CB -0.944 18.058 19.000 0.004 0.000 0.814 241 A HN -0.048 8.067 8.150 -0.057 0.000 0.444 242 T N 0.086 114.637 114.554 -0.005 0.000 2.708 242 T HA -0.437 3.915 4.350 0.004 0.000 0.266 242 T C 2.004 176.685 174.700 -0.033 0.000 1.037 242 T CA 5.103 67.202 62.100 -0.002 0.000 1.146 242 T CB -0.111 68.774 68.868 0.029 0.000 0.865 242 T HN -0.336 7.900 8.240 -0.006 0.000 0.435 243 K N 1.189 121.564 120.400 -0.041 0.000 2.057 243 K HA -0.267 4.027 4.320 -0.043 0.000 0.207 243 K C 2.521 179.094 176.600 -0.045 0.000 1.049 243 K CA 3.445 59.706 56.287 -0.044 0.000 0.931 243 K CB -0.182 32.292 32.500 -0.044 0.000 0.714 243 K HN -0.830 7.392 8.250 -0.048 0.000 0.440 244 I N -0.326 120.219 120.570 -0.041 0.000 2.252 244 I HA -0.518 3.631 4.170 -0.035 0.000 0.245 244 I C 1.494 177.579 176.117 -0.054 0.000 1.102 244 I CA 4.212 65.488 61.300 -0.039 0.000 1.385 244 I CB 0.038 38.019 38.000 -0.032 0.000 1.064 244 I HN -0.339 7.847 8.210 -0.039 0.000 0.414 245 M N 0.365 119.928 119.600 -0.062 0.000 2.117 245 M HA -0.516 3.913 4.480 -0.086 0.000 0.262 245 M C 1.499 177.717 176.300 -0.137 0.000 1.065 245 M CA 4.261 59.505 55.300 -0.092 0.000 1.114 245 M CB -0.163 32.385 32.600 -0.086 0.000 1.361 245 M HN -0.415 7.843 8.290 -0.053 0.000 0.408 246 D N -0.323 120.008 120.400 -0.115 0.000 2.117 246 D HA -0.307 4.230 4.640 -0.172 0.000 0.197 246 D C 2.477 178.713 176.300 -0.106 0.000 0.987 246 D CA 3.501 57.426 54.000 -0.125 0.000 0.829 246 D CB -0.663 40.087 40.800 -0.084 0.000 0.961 246 D HN -0.339 7.978 8.370 -0.090 0.000 0.460 247 K N -0.543 119.811 120.400 -0.076 0.000 2.097 247 K HA -0.265 4.023 4.320 -0.052 0.000 0.205 247 K C 2.448 179.013 176.600 -0.058 0.000 1.050 247 K CA 3.307 59.560 56.287 -0.056 0.000 0.938 247 K CB 0.017 32.493 32.500 -0.040 0.000 0.718 247 K HN -0.664 7.545 8.250 -0.069 0.000 0.442 248 L N -1.143 120.040 121.223 -0.067 0.000 2.093 248 L HA -0.238 4.340 4.340 -0.039 -0.261 0.208 248 L C 2.693 179.520 176.870 -0.070 0.000 1.085 248 L CA 2.493 57.299 54.840 -0.057 0.000 0.755 248 L CB -0.093 41.935 42.059 -0.052 0.000 0.904 248 L HN -0.522 7.665 8.230 -0.073 0.000 0.435 249 I N -2.246 118.244 120.570 -0.134 0.000 2.226 249 I HA -0.491 3.597 4.170 -0.137 0.000 0.245 249 I C 1.752 177.819 176.117 -0.083 0.000 1.100 249 I CA 3.331 64.529 61.300 -0.171 0.000 1.374 249 I CB -0.271 37.507 38.000 -0.371 0.000 1.057 249 I HN -0.432 7.682 8.210 -0.161 0.000 0.413 250 R N -1.349 119.106 120.500 -0.074 0.000 2.090 250 R HA -0.217 4.101 4.340 -0.037 0.000 0.228 250 R C 0.951 177.237 176.300 -0.023 0.000 1.110 250 R CA 2.906 58.981 56.100 -0.042 0.000 0.973 250 R CB 0.521 30.796 30.300 -0.041 0.000 0.869 250 R HN -0.360 7.771 8.270 -0.085 0.089 0.440 251 D N -6.336 114.050 120.400 -0.024 0.000 3.050 251 D HA 0.189 4.824 4.640 -0.008 0.000 0.281 251 D C 0.167 176.463 176.300 -0.008 0.000 1.246 251 D CA 0.420 54.412 54.000 -0.012 0.000 1.073 251 D CB 3.172 43.964 40.800 -0.013 0.000 1.382 251 D HN -0.410 7.941 8.370 -0.031 0.000 0.433 252 G N -0.618 108.175 108.800 -0.012 0.000 2.288 252 G HA2 -0.231 3.806 3.960 -0.004 0.000 0.227 252 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.227 252 G C -2.157 172.738 174.900 -0.009 0.000 1.339 252 G CA -0.365 44.731 45.100 -0.006 0.000 1.057 252 G HN -0.907 7.371 8.290 -0.019 0.000 0.470 253 R N 1.103 121.601 120.500 -0.003 0.000 2.585 253 R HA 0.188 4.711 4.340 -0.005 -0.187 0.275 253 R C -0.303 175.994 176.300 -0.005 0.000 1.018 253 R CA 0.692 56.790 56.100 -0.003 0.000 1.072 253 R CB 0.043 30.343 30.300 0.001 0.000 0.953 253 R HN 0.040 8.309 8.270 -0.000 0.000 0.419 254 V N 3.497 123.407 119.914 -0.006 0.000 2.823 254 V HA 0.238 4.355 4.120 -0.006 0.000 0.312 254 V C -1.394 174.699 176.094 -0.002 0.000 1.072 254 V CA -0.742 61.555 62.300 -0.006 0.000 0.937 254 V CB 3.051 34.867 31.823 -0.011 0.000 1.013 254 V HN 0.276 8.462 8.190 -0.005 0.000 0.430 255 I N 0.000 120.569 120.570 -0.002 0.000 2.984 255 I HA 0.000 4.171 4.170 0.002 0.000 0.288 255 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 255 I CB 0.000 38.000 38.000 0.000 0.000 1.214 255 I HN 0.000 8.208 8.210 -0.003 0.000 0.494