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 3lgu_1_A DATA FIRST_RESID 39 DATA SEQUENCE STDETPASYN LAVRRAAPAV VNVYNRGLXX XXXXXLEIRT LGSGVIMDQR DATA SEQUENCE GYIITNKHVI NDADQIIVAL QDGRVFEALL VGSDSLTDLA VLKINATGGL DATA SEQUENCE PTIPINARRV PHIGDVVLAI GNPXXXGQTI TQGIISATGX XXXXXXGRQN DATA SEQUENCE FLQTDASINH 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 -0.009 0.000 0.327 39 S C 0.000 174.595 174.600 -0.008 0.000 1.055 39 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 39 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 40 T N 0.566 115.116 114.554 -0.007 0.000 2.778 40 T HA -0.260 4.086 4.350 -0.007 0.000 0.269 40 T C 1.089 175.785 174.700 -0.007 0.000 1.050 40 T CA 1.854 63.950 62.100 -0.007 0.000 1.137 40 T CB -0.057 68.808 68.868 -0.005 0.000 0.860 40 T HN -0.078 8.159 8.240 -0.006 0.000 0.468 41 D N 1.009 121.405 120.400 -0.008 0.000 2.149 41 D HA -0.053 4.583 4.640 -0.007 0.000 0.206 41 D C -0.179 176.115 176.300 -0.010 0.000 0.967 41 D CA 0.904 54.899 54.000 -0.008 0.000 0.848 41 D CB -0.287 40.508 40.800 -0.007 0.000 0.998 41 D HN 0.207 8.543 8.370 -0.007 0.030 0.474 42 E N -0.407 119.786 120.200 -0.011 0.000 2.391 42 E HA -0.013 4.328 4.350 -0.014 0.000 0.255 42 E C -0.743 175.846 176.600 -0.018 0.000 1.187 42 E CA -0.487 55.904 56.400 -0.015 0.000 0.941 42 E CB 0.904 30.595 29.700 -0.015 0.000 1.010 42 E HN -0.160 8.193 8.360 -0.011 0.000 0.458 43 T N -1.175 113.365 114.554 -0.023 0.000 2.797 43 T HA 0.343 4.677 4.350 -0.025 0.000 0.279 43 T C -1.353 173.324 174.700 -0.038 0.000 0.991 43 T CA -2.945 59.138 62.100 -0.029 0.000 0.979 43 T CB 0.450 69.300 68.868 -0.031 0.000 0.943 43 T HN -0.123 8.103 8.240 -0.023 0.000 0.444 44 P HA -0.033 4.360 4.420 -0.045 0.000 0.269 44 P C -1.251 176.001 177.300 -0.080 0.000 1.209 44 P CA -0.414 62.656 63.100 -0.050 0.000 0.776 44 P CB 0.518 32.194 31.700 -0.041 0.000 0.876 45 A N 1.844 124.605 122.820 -0.098 0.000 2.488 45 A HA -0.038 4.178 4.320 -0.174 0.000 0.249 45 A C -0.284 177.162 177.584 -0.230 0.000 1.083 45 A CA 0.672 52.609 52.037 -0.166 0.000 0.768 45 A CB 0.114 19.023 19.000 -0.151 0.000 1.017 45 A HN 0.011 8.113 8.150 -0.080 0.000 0.496 46 S N 1.498 116.988 115.700 -0.351 0.000 2.547 46 S HA 0.103 4.402 4.470 -0.286 0.000 0.270 46 S C -0.882 173.438 174.600 -0.466 0.000 1.150 46 S CA -0.228 57.779 58.200 -0.321 0.000 0.850 46 S CB 0.913 64.032 63.200 -0.134 0.000 1.118 46 S HN -0.021 8.056 8.310 -0.389 0.000 0.461 47 Y N 1.847 122.145 120.300 -0.002 0.000 2.720 47 Y HA 0.193 4.740 4.550 -0.004 0.000 0.268 47 Y C -0.036 175.861 175.900 -0.005 0.000 1.142 47 Y CA -0.673 57.424 58.100 -0.004 0.000 1.193 47 Y CB 0.025 38.483 38.460 -0.004 0.000 1.176 47 Y HN 0.198 8.475 8.280 -0.006 0.000 0.542 48 N N 1.569 120.313 118.700 0.074 0.000 2.309 48 N HA -0.305 4.472 4.740 0.061 0.000 0.182 48 N C 1.062 176.597 175.510 0.043 0.000 1.018 48 N CA 2.942 56.022 53.050 0.050 0.000 0.876 48 N CB 0.315 38.813 38.487 0.018 0.000 0.972 48 N HN -0.510 7.814 8.380 0.021 0.068 0.434 49 L N -0.592 120.656 121.223 0.041 0.000 2.012 49 L HA -0.265 4.088 4.340 0.022 0.000 0.210 49 L C 0.841 177.734 176.870 0.039 0.000 1.073 49 L CA 2.992 57.852 54.840 0.033 0.000 0.748 49 L CB -0.249 41.828 42.059 0.030 0.000 0.891 49 L HN -0.228 8.005 8.230 0.038 0.020 0.431 50 A N -3.149 119.708 122.820 0.062 0.000 2.014 50 A HA -0.248 4.086 4.320 0.025 0.000 0.218 50 A C 2.127 179.727 177.584 0.027 0.000 1.163 50 A CA 2.591 54.653 52.037 0.042 0.000 0.652 50 A CB -0.892 18.138 19.000 0.051 0.000 0.808 50 A HN -0.627 7.579 8.150 0.094 0.000 0.449 51 V N -1.176 118.762 119.914 0.040 0.000 2.379 51 V HA -0.568 3.565 4.120 0.021 0.000 0.245 51 V C 2.185 178.291 176.094 0.019 0.000 1.044 51 V CA 4.103 66.420 62.300 0.028 0.000 1.036 51 V CB -0.246 31.599 31.823 0.037 0.000 0.664 51 V HN -0.706 7.402 8.190 0.056 0.116 0.453 52 R N -0.826 119.686 120.500 0.020 0.000 2.092 52 R HA -0.275 4.073 4.340 0.014 0.000 0.231 52 R C 2.160 178.465 176.300 0.009 0.000 1.119 52 R CA 3.395 59.504 56.100 0.014 0.000 0.970 52 R CB -0.260 30.048 30.300 0.013 0.000 0.864 52 R HN -0.304 7.980 8.270 0.024 0.000 0.440 53 R N -3.898 116.606 120.500 0.006 0.000 2.119 53 R HA -0.133 4.207 4.340 -0.001 0.000 0.222 53 R C 0.601 176.897 176.300 -0.007 0.000 1.088 53 R CA 2.633 58.732 56.100 -0.002 0.000 0.984 53 R CB 0.291 30.588 30.300 -0.005 0.000 0.884 53 R HN -0.612 7.663 8.270 0.009 0.000 0.447 54 A N -3.277 119.539 122.820 -0.006 0.000 1.984 54 A HA 0.187 4.496 4.320 -0.019 0.000 0.203 54 A C 1.322 178.903 177.584 -0.006 0.000 1.292 54 A CA 1.103 53.132 52.037 -0.013 0.000 0.782 54 A CB 0.667 19.654 19.000 -0.022 0.000 0.924 54 A HN -0.679 7.470 8.150 -0.002 0.000 0.475 55 A N -0.224 122.597 122.820 0.002 0.000 1.940 55 A HA -0.103 4.220 4.320 0.005 0.000 0.219 55 A C -0.983 176.608 177.584 0.011 0.000 1.176 55 A CA 4.222 56.263 52.037 0.007 0.000 0.631 55 A CB -2.312 16.696 19.000 0.012 0.000 0.814 55 A HN 0.134 8.286 8.150 0.004 0.000 0.446 56 P HA -0.238 4.196 4.420 0.023 0.000 0.221 56 P C -0.151 177.160 177.300 0.018 0.000 1.145 56 P CA 1.928 65.038 63.100 0.018 0.000 0.795 56 P CB -0.339 31.371 31.700 0.016 0.000 0.775 57 A N -5.582 117.243 122.820 0.008 0.000 2.132 57 A HA 0.143 4.467 4.320 0.006 0.000 0.213 57 A C -0.948 176.639 177.584 0.004 0.000 1.154 57 A CA -0.306 51.734 52.037 0.004 0.000 0.753 57 A CB 0.923 19.919 19.000 -0.006 0.000 0.826 57 A HN -0.550 7.567 8.150 0.004 0.035 0.469 58 V N -0.162 119.756 119.914 0.005 0.000 2.498 58 V HA 0.313 4.601 4.120 -0.003 -0.169 0.279 58 V C -0.318 175.783 176.094 0.011 0.000 1.048 58 V CA 0.409 62.711 62.300 0.002 0.000 0.967 58 V CB 0.595 32.417 31.823 -0.002 0.000 0.988 58 V HN -0.843 7.247 8.190 0.006 0.104 0.473 59 V N -0.804 119.113 119.914 0.005 0.000 3.126 59 V HA 0.520 4.662 4.120 0.036 0.000 0.314 59 V C -2.076 174.005 176.094 -0.022 0.000 1.138 59 V CA -3.818 58.492 62.300 0.017 0.000 1.034 59 V CB 3.521 35.366 31.823 0.037 0.000 1.075 59 V HN 0.180 8.367 8.190 -0.006 0.000 0.442 60 N N 0.321 119.008 118.700 -0.023 0.000 2.456 60 N HA 0.278 5.013 4.740 -0.212 -0.122 0.288 60 N C -1.026 174.309 175.510 -0.292 0.000 1.059 60 N CA -0.901 52.035 53.050 -0.191 0.000 0.946 60 N CB 2.181 40.570 38.487 -0.164 0.000 1.150 60 N HN -0.307 8.097 8.380 0.040 0.000 0.479 61 V N 4.427 124.081 119.914 -0.434 0.000 2.459 61 V HA 0.524 4.718 4.120 -0.140 -0.158 0.295 61 V C -1.411 174.403 176.094 -0.466 0.000 1.029 61 V CA -1.023 61.100 62.300 -0.294 0.000 0.874 61 V CB 1.956 33.691 31.823 -0.146 0.000 0.985 61 V HN 0.142 8.073 8.190 -0.432 0.000 0.438 62 Y N 4.381 124.691 120.300 0.017 0.000 2.602 62 Y HA 0.520 5.186 4.550 0.013 -0.108 0.342 62 Y C -1.129 174.778 175.900 0.012 0.000 1.029 62 Y CA -1.920 56.189 58.100 0.014 0.000 1.080 62 Y CB 4.303 42.772 38.460 0.014 0.000 1.284 62 Y HN 0.912 9.269 8.280 0.129 0.000 0.485 63 N N -0.175 118.639 118.700 0.190 0.000 2.319 63 N HA 0.710 5.731 4.740 0.095 -0.224 0.305 63 N C -1.211 174.353 175.510 0.090 0.000 1.103 63 N CA -1.293 51.822 53.050 0.108 0.000 0.815 63 N CB 3.837 42.366 38.487 0.069 0.000 1.288 63 N HN 0.156 8.663 8.380 0.211 0.000 0.493 64 R N 4.338 124.873 120.500 0.057 0.000 2.651 64 R HA 0.473 4.968 4.340 0.028 -0.138 0.282 64 R C -0.704 175.610 176.300 0.023 0.000 1.565 64 R CA -1.452 54.667 56.100 0.032 0.000 1.661 64 R CB 0.800 31.114 30.300 0.022 0.000 1.189 64 R HN -0.072 8.229 8.270 0.052 0.000 0.621 65 G N 0.367 109.181 108.800 0.023 0.000 2.527 65 G HA2 0.098 4.175 3.960 0.017 0.000 0.248 65 G HA3 0.098 4.088 3.960 0.018 -0.020 0.248 65 G C -2.701 172.205 174.900 0.010 0.000 1.231 65 G CA -0.070 45.040 45.100 0.017 0.000 0.838 65 G HN -0.198 8.108 8.290 0.027 0.000 0.570 75 E N 1.361 121.560 120.200 -0.001 0.000 2.248 75 E HA 0.431 4.780 4.350 -0.001 0.000 0.267 75 E C -1.563 175.040 176.600 0.005 0.000 0.877 75 E CA -0.987 55.415 56.400 0.002 0.000 0.759 75 E CB 2.853 32.558 29.700 0.008 0.000 1.182 75 E HN 0.125 8.486 8.360 0.001 0.000 0.418 76 I N 2.281 122.854 120.570 0.004 0.000 2.465 76 I HA 0.448 4.803 4.170 0.024 -0.170 0.291 76 I C -0.118 176.029 176.117 0.051 0.000 1.014 76 I CA -1.201 60.106 61.300 0.012 0.000 1.093 76 I CB 2.178 40.152 38.000 -0.043 0.000 1.267 76 I HN 0.305 8.515 8.210 0.000 0.000 0.431 77 R N 6.723 127.284 120.500 0.101 0.000 2.740 77 R HA 0.474 4.874 4.340 0.101 0.000 0.282 77 R C -1.493 174.938 176.300 0.218 0.000 0.969 77 R CA -1.955 54.217 56.100 0.119 0.000 0.918 77 R CB 3.325 33.668 30.300 0.072 0.000 1.175 77 R HN 0.018 8.355 8.270 0.112 0.000 0.464 78 T N 3.133 117.795 114.554 0.181 0.000 2.729 78 T HA 0.034 4.464 4.350 0.132 0.000 0.296 78 T C 0.001 174.695 174.700 -0.010 0.000 0.928 78 T CA -0.542 61.621 62.100 0.106 0.000 1.045 78 T CB 0.044 68.964 68.868 0.087 0.000 0.902 78 T HN 0.297 8.617 8.240 0.135 0.000 0.500 79 L N 7.823 128.998 121.223 -0.080 0.000 2.127 79 L HA 0.031 4.364 4.340 -0.011 0.000 0.203 79 L C 0.144 176.979 176.870 -0.059 0.000 1.080 79 L CA 1.026 55.835 54.840 -0.051 0.000 0.768 79 L CB 0.382 42.411 42.059 -0.051 0.000 0.924 79 L HN 0.232 8.371 8.230 -0.151 0.000 0.444 80 G N -5.303 103.419 108.800 -0.130 0.000 2.512 80 G HA2 0.032 3.964 3.960 -0.046 0.000 0.181 80 G HA3 0.032 3.960 3.960 -0.052 0.000 0.181 80 G C -2.534 172.287 174.900 -0.133 0.000 1.173 80 G CA -0.040 45.008 45.100 -0.085 0.000 0.988 80 G HN -0.725 7.435 8.290 -0.217 0.000 0.485 81 S N 0.569 116.218 115.700 -0.085 0.000 2.726 81 S HA 1.043 5.601 4.470 -0.100 -0.148 0.308 81 S C -1.174 173.383 174.600 -0.072 0.000 1.115 81 S CA -1.456 56.697 58.200 -0.078 0.000 0.965 81 S CB 3.454 66.629 63.200 -0.041 0.000 1.145 81 S HN -0.281 7.992 8.310 -0.062 0.000 0.532 82 G N -1.911 106.857 108.800 -0.052 0.000 2.649 82 G HA2 0.780 4.937 3.960 -0.044 0.000 0.290 82 G HA3 0.780 4.716 3.960 -0.040 0.000 0.290 82 G C -3.116 171.770 174.900 -0.023 0.000 1.426 82 G CA -0.017 45.059 45.100 -0.040 0.000 0.794 82 G HN -0.166 8.097 8.290 -0.045 0.000 0.483 83 V N -0.424 119.480 119.914 -0.017 0.000 2.623 83 V HA 0.349 4.596 4.120 -0.010 -0.133 0.304 83 V C -1.311 174.780 176.094 -0.004 0.000 1.054 83 V CA -1.319 60.975 62.300 -0.010 0.000 0.882 83 V CB 3.845 35.662 31.823 -0.010 0.000 1.002 83 V HN 0.162 8.342 8.190 -0.017 0.000 0.424 84 I N 7.075 127.641 120.570 -0.006 0.000 2.396 84 I HA -0.019 4.278 4.170 -0.006 -0.131 0.289 84 I C 0.144 176.262 176.117 0.003 0.000 1.056 84 I CA 1.025 62.320 61.300 -0.009 0.000 1.365 84 I CB 0.289 38.273 38.000 -0.026 0.000 1.407 84 I HN 0.201 8.407 8.210 -0.007 0.000 0.509 85 M N 6.117 125.731 119.600 0.024 0.000 2.556 85 M HA 0.072 4.562 4.480 0.017 0.000 0.264 85 M C 0.013 176.333 176.300 0.032 0.000 1.163 85 M CA -0.376 54.942 55.300 0.031 0.000 1.186 85 M CB 0.485 33.113 32.600 0.047 0.000 1.321 85 M HN 0.281 8.594 8.290 0.039 0.000 0.485 86 D N -5.915 114.514 120.400 0.048 0.000 2.664 86 D HA 0.165 4.820 4.640 0.025 0.000 0.292 86 D C 0.335 176.643 176.300 0.013 0.000 1.214 86 D CA -1.398 52.627 54.000 0.042 0.000 0.932 86 D CB 0.803 41.649 40.800 0.077 0.000 1.420 86 D HN -0.817 7.589 8.370 0.060 0.000 0.471 87 Q N -2.606 117.198 119.800 0.006 0.000 2.369 87 Q HA -0.158 4.159 4.340 -0.038 0.000 0.206 87 Q C 0.945 176.917 176.000 -0.047 0.000 0.963 87 Q CA 1.722 57.511 55.803 -0.023 0.000 0.894 87 Q CB -0.238 28.493 28.738 -0.013 0.000 0.965 87 Q HN 0.400 8.679 8.270 0.015 0.000 0.475 88 R N -2.875 117.614 120.500 -0.019 0.000 2.193 88 R HA -0.174 4.121 4.340 -0.075 0.000 0.229 88 R C 0.456 176.607 176.300 -0.248 0.000 1.110 88 R CA 1.070 57.125 56.100 -0.076 0.000 0.988 88 R CB 0.462 30.797 30.300 0.058 0.000 0.871 88 R HN -0.682 7.695 8.270 0.031 -0.088 0.458 89 G N -4.516 104.155 108.800 -0.214 0.000 2.138 89 G HA2 -0.358 3.459 3.960 -0.238 0.000 0.193 89 G HA3 -0.358 3.572 3.960 -0.345 -0.177 0.193 89 G C -0.775 173.940 174.900 -0.309 0.000 0.998 89 G CA -0.333 44.593 45.100 -0.290 0.000 0.668 89 G HN -0.581 7.741 8.290 -0.112 -0.099 0.516 90 Y N 0.170 120.427 120.300 -0.070 0.000 2.304 90 Y HA 0.336 5.037 4.550 -0.055 -0.183 0.327 90 Y C -0.848 175.019 175.900 -0.054 0.000 1.209 90 Y CA 0.714 58.782 58.100 -0.055 0.000 1.299 90 Y CB 1.624 40.061 38.460 -0.038 0.000 1.249 90 Y HN -0.941 7.563 8.280 0.012 -0.217 0.519 91 I N -0.090 120.555 120.570 0.126 0.000 2.569 91 I HA 0.561 4.935 4.170 0.038 -0.181 0.290 91 I C -1.123 175.017 176.117 0.038 0.000 1.088 91 I CA -1.338 59.991 61.300 0.047 0.000 1.047 91 I CB 4.141 42.144 38.000 0.004 0.000 1.237 91 I HN 0.200 8.507 8.210 0.162 0.000 0.421 92 I N 6.538 127.117 120.570 0.015 0.000 2.428 92 I HA 0.789 5.150 4.170 -0.006 -0.194 0.296 92 I C -0.589 175.512 176.117 -0.028 0.000 0.985 92 I CA -0.883 60.413 61.300 -0.007 0.000 1.260 92 I CB 1.833 39.826 38.000 -0.012 0.000 1.389 92 I HN 0.196 8.414 8.210 0.013 0.000 0.484 93 T N 4.255 118.781 114.554 -0.048 0.000 2.618 93 T HA 0.337 4.643 4.350 -0.074 0.000 0.293 93 T C -2.072 172.560 174.700 -0.113 0.000 1.093 93 T CA -2.652 59.401 62.100 -0.079 0.000 1.061 93 T CB 1.437 70.252 68.868 -0.088 0.000 1.498 93 T HN 0.305 8.517 8.240 -0.046 0.000 0.494 94 N N 0.357 118.938 118.700 -0.198 0.000 2.456 94 N HA 0.296 5.125 4.740 -0.165 -0.188 0.288 94 N C 0.485 175.827 175.510 -0.280 0.000 1.059 94 N CA -0.750 52.133 53.050 -0.279 0.000 0.946 94 N CB 1.094 39.249 38.487 -0.554 0.000 1.150 94 N HN 0.237 8.480 8.380 -0.228 0.000 0.479 95 K N 5.105 125.423 120.400 -0.137 0.000 2.160 95 K HA -0.314 3.969 4.320 -0.061 0.000 0.206 95 K C 1.003 177.574 176.600 -0.050 0.000 1.047 95 K CA 2.798 59.047 56.287 -0.063 0.000 0.930 95 K CB 0.066 32.566 32.500 -0.000 0.000 0.720 95 K HN 0.108 8.261 8.250 -0.086 0.045 0.450 96 H N -5.454 113.618 119.070 0.002 0.000 2.470 96 H HA -0.001 4.561 4.556 0.010 0.000 0.289 96 H C 1.836 177.172 175.328 0.013 0.000 1.033 96 H CA 2.136 58.191 56.048 0.011 0.000 1.331 96 H CB 0.103 29.878 29.762 0.020 0.000 1.414 96 H HN -0.502 7.851 8.280 -0.118 -0.144 0.545 97 V N 0.129 119.794 119.914 -0.415 0.000 2.427 97 V HA -0.271 3.801 4.120 -0.079 0.000 0.248 97 V C 0.994 177.039 176.094 -0.081 0.000 1.051 97 V CA 3.172 65.347 62.300 -0.207 0.000 1.048 97 V CB 0.599 32.255 31.823 -0.278 0.000 0.666 97 V HN -0.563 7.065 8.190 -0.720 0.130 0.456 98 I N -8.716 111.807 120.570 -0.080 0.000 3.941 98 I HA 0.183 4.340 4.170 -0.021 0.000 0.335 98 I C -0.165 175.948 176.117 -0.007 0.000 1.402 98 I CA -1.685 59.595 61.300 -0.033 0.000 1.112 98 I CB -0.210 37.770 38.000 -0.035 0.000 1.043 98 I HN -0.707 7.437 8.210 -0.109 0.000 0.395 99 N N 2.498 121.201 118.700 0.005 0.000 2.120 99 N HA -0.227 4.522 4.740 0.015 0.000 0.188 99 N C 0.110 175.633 175.510 0.021 0.000 1.024 99 N CA 2.526 55.589 53.050 0.021 0.000 0.852 99 N CB 0.330 38.843 38.487 0.043 0.000 1.003 99 N HN -0.553 7.776 8.380 0.008 0.055 0.424 100 D N -0.979 119.434 120.400 0.023 0.000 2.795 100 D HA 0.119 4.771 4.640 0.019 0.000 0.335 100 D C -1.907 174.405 176.300 0.021 0.000 1.262 100 D CA -0.245 53.767 54.000 0.021 0.000 0.885 100 D CB -1.361 39.452 40.800 0.023 0.000 1.047 100 D HN 0.011 8.396 8.370 0.025 0.000 0.500 101 A N 0.203 123.035 122.820 0.019 0.000 2.258 101 A HA 0.235 4.758 4.320 0.026 -0.187 0.316 101 A C -0.312 177.285 177.584 0.022 0.000 1.279 101 A CA -1.416 50.635 52.037 0.023 0.000 0.876 101 A CB 1.485 20.498 19.000 0.022 0.000 1.170 101 A HN -0.452 7.708 8.150 0.017 0.000 0.520 102 D N 3.356 123.770 120.400 0.024 0.000 2.103 102 D HA -0.102 4.549 4.640 0.018 0.000 0.199 102 D C 0.192 176.506 176.300 0.023 0.000 0.978 102 D CA 1.923 55.935 54.000 0.021 0.000 0.829 102 D CB 0.696 41.508 40.800 0.019 0.000 0.981 102 D HN 0.238 8.854 8.370 0.026 -0.231 0.464 103 Q N -1.513 118.305 119.800 0.029 0.000 2.305 103 Q HA 0.222 4.580 4.340 0.031 0.000 0.271 103 Q C -2.125 173.903 176.000 0.048 0.000 1.046 103 Q CA -0.460 55.363 55.803 0.034 0.000 0.798 103 Q CB 3.028 31.783 28.738 0.029 0.000 1.286 103 Q HN -0.766 7.668 8.270 0.032 -0.145 0.435 104 I N 6.536 127.136 120.570 0.051 0.000 2.321 104 I HA 0.381 4.784 4.170 0.074 -0.188 0.291 104 I C -1.052 175.118 176.117 0.090 0.000 0.998 104 I CA -0.808 60.532 61.300 0.065 0.000 1.227 104 I CB 1.459 39.486 38.000 0.046 0.000 1.368 104 I HN 0.540 8.776 8.210 0.044 0.000 0.466 105 I N 7.302 127.954 120.570 0.137 0.000 2.530 105 I HA 0.498 4.882 4.170 0.142 -0.129 0.297 105 I C -1.371 174.893 176.117 0.244 0.000 1.011 105 I CA -1.462 59.942 61.300 0.174 0.000 1.107 105 I CB 3.591 41.681 38.000 0.151 0.000 1.285 105 I HN 0.048 8.355 8.210 0.161 0.000 0.436 106 V N 4.822 124.875 119.914 0.233 0.000 2.656 106 V HA 0.795 5.241 4.120 0.208 -0.201 0.307 106 V C -2.149 174.112 176.094 0.279 0.000 1.051 106 V CA -2.195 60.242 62.300 0.229 0.000 0.893 106 V CB 3.950 35.867 31.823 0.157 0.000 0.999 106 V HN 0.215 8.539 8.190 0.223 0.000 0.426 107 A N 6.127 129.113 122.820 0.278 0.000 2.332 107 A HA 0.771 5.370 4.320 0.202 -0.158 0.300 107 A C -1.439 176.254 177.584 0.182 0.000 1.153 107 A CA -1.915 50.268 52.037 0.243 0.000 0.764 107 A CB 2.617 21.807 19.000 0.317 0.000 1.174 107 A HN 0.502 8.801 8.150 0.249 0.000 0.467 108 L N 3.305 124.629 121.223 0.169 0.000 2.466 108 L HA 0.041 4.449 4.340 0.114 0.000 0.257 108 L C 1.907 178.832 176.870 0.091 0.000 1.189 108 L CA -0.000 54.918 54.840 0.130 0.000 0.813 108 L CB 0.853 43.007 42.059 0.160 0.000 1.118 108 L HN 0.054 8.397 8.230 0.189 0.000 0.471 109 Q N 0.775 120.617 119.800 0.070 0.000 2.291 109 Q HA -0.244 4.129 4.340 0.055 0.000 0.205 109 Q C 0.430 176.456 176.000 0.044 0.000 0.970 109 Q CA 2.594 58.429 55.803 0.053 0.000 0.876 109 Q CB -0.146 28.617 28.738 0.041 0.000 0.935 109 Q HN 0.890 9.200 8.270 0.067 0.000 0.455 110 D N -6.171 114.258 120.400 0.048 0.000 2.340 110 D HA -0.055 4.603 4.640 0.029 0.000 0.220 110 D C 0.511 176.827 176.300 0.025 0.000 1.039 110 D CA -0.342 53.680 54.000 0.037 0.000 0.866 110 D CB -0.494 40.331 40.800 0.042 0.000 0.913 110 D HN -0.502 7.870 8.370 0.060 0.034 0.523 111 G N -1.063 107.753 108.800 0.026 0.000 2.253 111 G HA2 -0.396 3.565 3.960 0.002 0.000 0.209 111 G HA3 -0.396 3.559 3.960 -0.009 0.000 0.209 111 G C -0.167 174.713 174.900 -0.033 0.000 0.997 111 G CA -0.402 44.697 45.100 -0.001 0.000 0.640 111 G HN -0.665 7.598 8.290 0.040 0.051 0.496 112 R N 1.324 121.807 120.500 -0.028 0.000 2.539 112 R HA 0.058 4.270 4.340 -0.215 0.000 0.275 112 R C -1.138 175.049 176.300 -0.189 0.000 1.077 112 R CA 0.440 56.447 56.100 -0.154 0.000 1.097 112 R CB 1.329 31.565 30.300 -0.107 0.000 1.018 112 R HN -0.339 8.226 8.270 0.019 -0.284 0.483 113 V N 2.411 122.071 119.914 -0.424 0.000 2.488 113 V HA 0.560 4.814 4.120 -0.063 -0.172 0.293 113 V C -0.333 175.510 176.094 -0.419 0.000 1.027 113 V CA -0.850 61.297 62.300 -0.255 0.000 0.862 113 V CB 1.605 33.337 31.823 -0.151 0.000 1.008 113 V HN 0.261 8.112 8.190 -0.564 0.000 0.428 114 F N 7.449 127.410 119.950 0.017 0.000 2.557 114 F HA 0.426 4.953 4.527 0.001 0.000 0.336 114 F C -0.990 174.819 175.800 0.015 0.000 1.058 114 F CA -1.777 56.227 58.000 0.008 0.000 0.988 114 F CB 3.378 42.378 39.000 0.000 0.000 1.275 114 F HN 0.389 8.871 8.300 0.304 0.000 0.488 115 E N 0.079 120.403 120.200 0.208 0.000 2.231 115 E HA 0.398 4.943 4.350 0.119 -0.124 0.277 115 E C -1.482 175.183 176.600 0.110 0.000 0.999 115 E CA -1.429 55.047 56.400 0.126 0.000 0.827 115 E CB 2.349 32.095 29.700 0.076 0.000 1.101 115 E HN 0.187 8.671 8.360 0.208 0.000 0.393 116 A N 4.590 127.456 122.820 0.076 0.000 2.355 116 A HA 0.864 5.382 4.320 0.019 -0.187 0.324 116 A C -1.935 175.665 177.584 0.027 0.000 1.117 116 A CA -1.857 50.202 52.037 0.037 0.000 0.785 116 A CB 2.998 22.017 19.000 0.033 0.000 1.254 116 A HN 0.297 8.493 8.150 0.078 0.000 0.453 117 L N -0.055 121.175 121.223 0.011 0.000 2.334 117 L HA 0.372 4.725 4.340 0.020 0.000 0.273 117 L C -0.899 175.985 176.870 0.023 0.000 1.013 117 L CA -1.522 53.328 54.840 0.016 0.000 0.816 117 L CB 2.719 44.785 42.059 0.011 0.000 1.278 117 L HN 0.072 8.301 8.230 -0.003 0.000 0.431 118 L N 2.365 123.603 121.223 0.025 0.000 2.385 118 L HA -0.033 4.326 4.340 0.030 0.000 0.281 118 L C 0.135 177.029 176.870 0.040 0.000 1.106 118 L CA 0.368 55.225 54.840 0.029 0.000 0.856 118 L CB -0.574 41.496 42.059 0.019 0.000 1.186 118 L HN 0.268 8.511 8.230 0.023 0.000 0.453 119 V N 6.287 126.238 119.914 0.062 0.000 2.427 119 V HA -0.314 3.855 4.120 0.082 0.000 0.248 119 V C -0.064 176.054 176.094 0.039 0.000 1.051 119 V CA 1.814 64.161 62.300 0.078 0.000 1.048 119 V CB 0.310 32.217 31.823 0.140 0.000 0.666 119 V HN 0.527 8.760 8.190 0.071 0.000 0.456 120 G N -5.848 102.967 108.800 0.024 0.000 2.336 120 G HA2 -0.049 3.917 3.960 0.010 0.000 0.300 120 G HA3 -0.049 3.914 3.960 0.004 0.000 0.300 120 G C -3.427 171.473 174.900 -0.000 0.000 1.375 120 G CA -0.434 44.671 45.100 0.009 0.000 0.885 120 G HN -0.891 7.415 8.290 0.026 0.000 0.599 121 S N -1.807 113.891 115.700 -0.004 0.000 2.732 121 S HA 0.325 4.787 4.470 -0.013 0.000 0.293 121 S C -2.682 171.913 174.600 -0.008 0.000 1.159 121 S CA -1.361 56.834 58.200 -0.008 0.000 0.847 121 S CB 3.036 66.233 63.200 -0.006 0.000 1.169 121 S HN -0.065 8.244 8.310 -0.002 0.000 0.501 122 D N -0.581 119.814 120.400 -0.008 0.000 2.478 122 D HA 0.473 5.113 4.640 -0.001 0.000 0.240 122 D C 0.072 176.375 176.300 0.005 0.000 1.364 122 D CA -0.298 53.700 54.000 -0.004 0.000 0.987 122 D CB 2.772 43.566 40.800 -0.010 0.000 1.328 122 D HN -0.345 8.019 8.370 -0.011 0.000 0.584 123 S N 6.063 121.771 115.700 0.013 0.000 2.402 123 S HA -0.177 4.308 4.470 0.024 0.000 0.229 123 S C 1.419 176.038 174.600 0.033 0.000 1.021 123 S CA 3.070 61.283 58.200 0.022 0.000 0.974 123 S CB 0.187 63.400 63.200 0.020 0.000 0.800 123 S HN 0.370 8.687 8.310 0.012 0.000 0.484 124 L N 1.051 122.297 121.223 0.037 0.000 2.046 124 L HA -0.151 4.226 4.340 0.062 0.000 0.208 124 L C 1.088 178.022 176.870 0.106 0.000 1.077 124 L CA 2.540 57.419 54.840 0.065 0.000 0.747 124 L CB 0.408 42.503 42.059 0.060 0.000 0.896 124 L HN -0.329 8.048 8.230 0.030 -0.129 0.432 125 T N -7.051 107.538 114.554 0.058 0.000 3.086 125 T HA -0.059 4.304 4.350 0.021 0.000 0.250 125 T C -0.050 174.604 174.700 -0.077 0.000 1.074 125 T CA -0.210 61.880 62.100 -0.015 0.000 0.988 125 T CB 0.991 69.825 68.868 -0.056 0.000 0.988 125 T HN -0.688 7.765 8.240 0.035 -0.192 0.530 126 D N 0.619 121.012 120.400 -0.011 0.000 2.723 126 D HA -0.291 4.366 4.640 0.028 0.000 0.236 126 D C -1.302 174.980 176.300 -0.031 0.000 1.138 126 D CA 1.328 55.332 54.000 0.008 0.000 0.676 126 D CB -0.937 39.894 40.800 0.050 0.000 1.069 126 D HN -0.416 7.788 8.370 0.012 0.173 0.430 127 L N -3.214 117.982 121.223 -0.045 0.000 2.331 127 L HA 0.733 5.189 4.340 -0.069 -0.158 0.268 127 L C -1.821 175.022 176.870 -0.045 0.000 1.015 127 L CA -1.326 53.480 54.840 -0.057 0.000 0.807 127 L CB 3.397 45.420 42.059 -0.061 0.000 1.293 127 L HN -0.678 7.520 8.230 -0.036 0.010 0.451 128 A N -1.834 120.958 122.820 -0.047 0.000 2.540 128 A HA 0.553 4.980 4.320 -0.025 -0.122 0.297 128 A C -2.455 175.118 177.584 -0.019 0.000 1.056 128 A CA -0.473 51.544 52.037 -0.032 0.000 0.700 128 A CB 3.444 22.419 19.000 -0.041 0.000 1.280 128 A HN -0.013 8.107 8.150 -0.051 0.000 0.398 129 V N 3.001 122.914 119.914 -0.001 0.000 2.398 129 V HA 0.754 5.087 4.120 0.030 -0.195 0.286 129 V C -1.030 175.103 176.094 0.066 0.000 1.026 129 V CA -1.576 60.742 62.300 0.031 0.000 0.868 129 V CB 1.623 33.455 31.823 0.015 0.000 0.982 129 V HN 0.193 8.382 8.190 -0.001 0.000 0.443 130 L N 6.090 127.360 121.223 0.079 0.000 2.304 130 L HA 0.807 5.326 4.340 0.056 -0.145 0.268 130 L C -1.337 175.577 176.870 0.073 0.000 1.010 130 L CA -1.895 52.981 54.840 0.061 0.000 0.813 130 L CB 3.114 45.186 42.059 0.021 0.000 1.315 130 L HN 0.830 9.105 8.230 0.075 0.000 0.445 131 K N 0.091 120.486 120.400 -0.009 0.000 2.468 131 K HA 0.614 4.947 4.320 -0.241 -0.158 0.252 131 K C -1.721 174.789 176.600 -0.150 0.000 0.932 131 K CA -1.513 54.683 56.287 -0.152 0.000 0.794 131 K CB 3.165 35.560 32.500 -0.175 0.000 1.241 131 K HN 0.169 8.416 8.250 -0.005 0.000 0.428 132 I N -0.180 120.251 120.570 -0.233 0.000 2.969 132 I HA 0.493 4.588 4.170 -0.124 0.000 0.307 132 I C -1.966 173.995 176.117 -0.260 0.000 1.149 132 I CA -1.907 59.264 61.300 -0.214 0.000 1.008 132 I CB 3.531 41.351 38.000 -0.301 0.000 1.232 132 I HN -0.011 8.016 8.210 -0.305 0.000 0.435 133 N N 2.278 120.880 118.700 -0.164 0.000 2.483 133 N HA -0.014 4.646 4.740 -0.135 0.000 0.264 133 N C 0.045 175.429 175.510 -0.210 0.000 1.197 133 N CA 0.284 53.260 53.050 -0.124 0.000 0.927 133 N CB 0.218 38.707 38.487 0.003 0.000 1.065 133 N HN 0.471 8.804 8.380 -0.079 0.000 0.461 134 A N 4.899 127.615 122.820 -0.172 0.000 2.582 134 A HA 0.166 4.316 4.320 -0.283 0.000 0.336 134 A C -0.568 176.989 177.584 -0.046 0.000 1.445 134 A CA -1.089 50.844 52.037 -0.174 0.000 0.997 134 A CB -0.508 18.398 19.000 -0.158 0.000 1.148 134 A HN 0.171 8.238 8.150 -0.139 0.000 0.514 135 T N 4.260 118.842 114.554 0.048 0.000 2.939 135 T HA -0.260 4.135 4.350 0.074 0.000 0.312 135 T C 0.714 175.440 174.700 0.043 0.000 1.064 135 T CA 0.684 62.838 62.100 0.090 0.000 1.136 135 T CB 0.588 69.563 68.868 0.178 0.000 1.035 135 T HN -0.204 8.097 8.240 0.102 0.000 0.538 136 G N 1.905 110.724 108.800 0.032 0.000 2.138 136 G HA2 -0.321 3.644 3.960 0.009 0.000 0.263 136 G HA3 -0.321 3.650 3.960 0.018 0.000 0.263 136 G C -0.533 174.382 174.900 0.025 0.000 1.103 136 G CA 0.489 45.600 45.100 0.019 0.000 1.014 136 G HN 0.223 8.532 8.290 0.033 0.000 0.418 137 G N 4.240 113.049 108.800 0.014 0.000 2.780 137 G HA2 -0.399 3.567 3.960 0.010 0.000 0.364 137 G HA3 -0.399 3.576 3.960 0.025 0.000 0.364 137 G C -2.088 172.823 174.900 0.020 0.000 1.045 137 G CA -0.604 44.507 45.100 0.017 0.000 1.202 137 G HN 0.187 8.479 8.290 0.004 0.000 0.534 138 L N 2.839 124.058 121.223 -0.006 0.000 2.329 138 L HA 0.460 4.800 4.340 -0.000 0.000 0.279 138 L C -2.031 174.833 176.870 -0.009 0.000 1.014 138 L CA -3.608 51.220 54.840 -0.020 0.000 0.814 138 L CB 2.638 44.650 42.059 -0.078 0.000 1.257 138 L HN -0.618 7.796 8.230 -0.013 -0.192 0.424 139 P HA 0.139 4.561 4.420 0.003 0.000 0.282 139 P C -1.495 175.801 177.300 -0.007 0.000 1.262 139 P CA -0.588 62.514 63.100 0.003 0.000 0.773 139 P CB 0.202 31.911 31.700 0.015 0.000 0.879 140 T N -0.716 113.833 114.554 -0.008 0.000 2.885 140 T HA 0.114 4.569 4.350 -0.012 -0.112 0.285 140 T C 0.144 174.835 174.700 -0.014 0.000 1.019 140 T CA -2.630 59.464 62.100 -0.011 0.000 1.010 140 T CB 2.686 71.549 68.868 -0.009 0.000 1.022 140 T HN -0.189 8.047 8.240 -0.007 0.000 0.466 141 I N 3.489 124.049 120.570 -0.017 0.000 2.587 141 I HA 0.069 4.222 4.170 -0.028 0.000 0.284 141 I C -1.937 174.154 176.117 -0.042 0.000 1.134 141 I CA -2.363 58.920 61.300 -0.028 0.000 1.410 141 I CB 0.909 38.892 38.000 -0.029 0.000 1.392 141 I HN 0.027 8.229 8.210 -0.013 0.000 0.545 142 P HA -0.003 4.384 4.420 -0.054 0.000 0.264 142 P C -1.933 175.299 177.300 -0.114 0.000 1.193 142 P CA 0.159 63.218 63.100 -0.068 0.000 0.763 142 P CB 0.339 31.999 31.700 -0.066 0.000 0.810 143 I N 2.750 123.253 120.570 -0.111 0.000 2.533 143 I HA 0.195 4.194 4.170 -0.284 0.000 0.290 143 I C -1.369 174.660 176.117 -0.147 0.000 1.056 143 I CA -0.551 60.645 61.300 -0.172 0.000 1.057 143 I CB 3.120 41.069 38.000 -0.084 0.000 1.240 143 I HN -0.041 8.121 8.210 -0.079 0.000 0.423 144 N N 6.628 125.186 118.700 -0.237 0.000 2.569 144 N HA 0.124 4.830 4.740 -0.056 0.000 0.254 144 N C -0.086 175.420 175.510 -0.007 0.000 1.004 144 N CA -1.111 51.871 53.050 -0.114 0.000 0.904 144 N CB 0.723 39.141 38.487 -0.115 0.000 1.165 144 N HN 0.165 8.294 8.380 -0.419 0.000 0.513 145 A N 5.399 128.284 122.820 0.109 0.000 2.119 145 A HA -0.081 4.520 4.320 0.468 0.000 0.217 145 A C 0.467 178.158 177.584 0.179 0.000 1.153 145 A CA 1.942 54.124 52.037 0.241 0.000 0.692 145 A CB -0.074 19.015 19.000 0.147 0.000 0.799 145 A HN 0.653 8.845 8.150 0.070 0.000 0.458 146 R N -4.086 116.476 120.500 0.104 0.000 2.200 146 R HA -0.001 4.381 4.340 0.069 0.000 0.208 146 R C 0.295 176.641 176.300 0.077 0.000 1.033 146 R CA -0.542 55.602 56.100 0.073 0.000 1.000 146 R CB 0.031 30.356 30.300 0.043 0.000 0.906 146 R HN -0.563 7.946 8.270 0.075 -0.194 0.462 147 R N 1.968 122.521 120.500 0.089 0.000 2.370 147 R HA -0.122 4.233 4.340 0.026 0.000 0.309 147 R C -0.528 175.827 176.300 0.092 0.000 1.059 147 R CA 0.163 56.296 56.100 0.055 0.000 0.981 147 R CB -0.217 30.076 30.300 -0.012 0.000 0.972 147 R HN -0.696 7.609 8.270 0.090 0.019 0.437 148 V N 7.786 127.682 119.914 -0.031 0.000 2.333 148 V HA 0.174 4.266 4.120 -0.047 0.000 0.274 148 V C -1.800 174.067 176.094 -0.379 0.000 1.028 148 V CA -2.894 59.320 62.300 -0.143 0.000 0.851 148 V CB 0.961 32.688 31.823 -0.160 0.000 1.000 148 V HN 0.078 8.237 8.190 -0.051 0.000 0.456 149 P HA 0.064 4.393 4.420 -0.151 0.000 0.271 149 P C -1.530 175.609 177.300 -0.269 0.000 1.220 149 P CA -0.319 62.680 63.100 -0.169 0.000 0.768 149 P CB 0.614 32.322 31.700 0.014 0.000 0.848 150 H N 2.490 121.581 119.070 0.035 0.000 2.569 150 H HA 0.264 4.832 4.556 0.021 0.000 0.357 150 H C 0.066 175.401 175.328 0.011 0.000 1.153 150 H CA -2.091 53.969 56.048 0.021 0.000 1.193 150 H CB 3.371 33.143 29.762 0.017 0.000 1.602 150 H HN 0.024 8.589 8.280 -0.050 -0.315 0.523 151 I N 2.225 122.882 120.570 0.145 0.000 2.752 151 I HA -0.643 3.686 4.170 0.049 -0.129 0.289 151 I C 1.430 177.581 176.117 0.058 0.000 1.197 151 I CA 2.271 63.613 61.300 0.069 0.000 1.432 151 I CB -0.689 37.339 38.000 0.047 0.000 1.359 151 I HN 0.612 8.917 8.210 0.159 0.000 0.571 152 G N 6.961 115.779 108.800 0.030 0.000 2.213 152 G HA2 -0.396 3.569 3.960 0.008 0.000 0.226 152 G HA3 -0.396 3.578 3.960 0.024 0.000 0.226 152 G C -0.392 174.520 174.900 0.020 0.000 0.992 152 G CA -0.552 44.560 45.100 0.020 0.000 0.632 152 G HN 0.407 8.708 8.290 0.019 0.000 0.511 153 D N 2.448 122.866 120.400 0.031 0.000 2.458 153 D HA -0.067 4.589 4.640 0.027 0.000 0.243 153 D C 0.028 176.309 176.300 -0.031 0.000 1.146 153 D CA 1.394 55.403 54.000 0.016 0.000 0.877 153 D CB 0.485 41.298 40.800 0.023 0.000 1.176 153 D HN -0.409 7.925 8.370 0.047 0.063 0.461 154 V N 2.839 122.718 119.914 -0.059 0.000 2.585 154 V HA -0.047 4.145 4.120 -0.139 -0.155 0.296 154 V C -0.190 175.799 176.094 -0.176 0.000 1.035 154 V CA 1.039 63.249 62.300 -0.150 0.000 1.084 154 V CB 0.201 31.878 31.823 -0.243 0.000 0.953 154 V HN 0.211 8.379 8.190 -0.037 0.000 0.483 155 V N 0.532 120.335 119.914 -0.184 0.000 2.925 155 V HA 1.036 5.268 4.120 -0.151 -0.203 0.311 155 V C -1.596 174.399 176.094 -0.165 0.000 1.104 155 V CA -3.155 59.054 62.300 -0.151 0.000 0.954 155 V CB 3.895 35.665 31.823 -0.088 0.000 1.022 155 V HN 0.111 8.193 8.190 -0.180 0.000 0.427 156 L N 1.702 122.844 121.223 -0.134 0.000 2.322 156 L HA 0.842 5.326 4.340 -0.101 -0.205 0.281 156 L C -0.884 175.951 176.870 -0.058 0.000 1.014 156 L CA -2.180 52.601 54.840 -0.097 0.000 0.815 156 L CB 2.672 44.683 42.059 -0.081 0.000 1.247 156 L HN 0.607 8.764 8.230 -0.120 0.000 0.421 157 A N 3.939 126.733 122.820 -0.043 0.000 2.269 157 A HA 0.585 5.040 4.320 -0.027 -0.152 0.302 157 A C -1.095 176.479 177.584 -0.016 0.000 1.266 157 A CA -1.463 50.557 52.037 -0.027 0.000 0.894 157 A CB 1.090 20.076 19.000 -0.022 0.000 1.147 157 A HN 0.561 8.685 8.150 -0.043 0.000 0.537 158 I N 4.891 125.453 120.570 -0.014 0.000 2.339 158 I HA 0.313 4.481 4.170 -0.003 0.000 0.290 158 I C -1.067 175.047 176.117 -0.005 0.000 0.994 158 I CA -1.089 60.207 61.300 -0.007 0.000 1.191 158 I CB 1.311 39.307 38.000 -0.007 0.000 1.343 158 I HN 0.538 8.738 8.210 -0.016 0.000 0.458 159 G N 5.417 114.217 108.800 -0.000 0.000 2.696 159 G HA2 0.317 4.273 3.960 -0.006 0.000 0.295 159 G HA3 0.317 4.278 3.960 0.001 0.000 0.295 159 G C -3.280 171.621 174.900 0.002 0.000 1.398 159 G CA -0.563 44.536 45.100 -0.001 0.000 0.920 159 G HN 0.163 8.455 8.290 0.003 0.000 0.492 160 N N 1.015 119.710 118.700 -0.008 0.000 2.800 160 N HA 0.603 5.347 4.740 0.008 0.000 0.240 160 N C -2.229 173.267 175.510 -0.023 0.000 1.096 160 N CA -3.528 49.519 53.050 -0.006 0.000 0.877 160 N CB 1.467 39.952 38.487 -0.004 0.000 1.138 160 N HN -0.322 8.047 8.380 -0.018 0.000 0.509 166 Q N 0.007 119.825 119.800 0.030 0.000 2.364 166 Q HA -0.131 4.222 4.340 0.023 0.000 0.267 166 Q C -0.391 175.622 176.000 0.022 0.000 0.999 166 Q CA 0.926 56.744 55.803 0.024 0.000 0.886 166 Q CB 1.064 29.816 28.738 0.023 0.000 1.243 166 Q HN 0.177 8.465 8.270 0.030 0.000 0.415 167 T N 7.387 121.952 114.554 0.019 0.000 2.841 167 T HA 0.302 4.663 4.350 0.020 0.000 0.285 167 T C -1.912 172.796 174.700 0.014 0.000 0.991 167 T CA -0.388 61.723 62.100 0.018 0.000 0.966 167 T CB 1.613 70.493 68.868 0.020 0.000 0.962 167 T HN 0.460 8.710 8.240 0.017 0.000 0.438 168 I N 5.966 126.545 120.570 0.015 0.000 2.545 168 I HA 0.853 5.248 4.170 0.005 -0.222 0.292 168 I C -0.519 175.603 176.117 0.009 0.000 1.040 168 I CA -1.411 59.895 61.300 0.011 0.000 1.068 168 I CB 3.451 41.461 38.000 0.016 0.000 1.251 168 I HN 0.357 8.578 8.210 0.018 0.000 0.424 169 T N 3.705 118.258 114.554 -0.002 0.000 2.906 169 T HA 0.384 4.736 4.350 0.003 0.000 0.295 169 T C -1.979 172.705 174.700 -0.026 0.000 1.075 169 T CA -2.075 60.021 62.100 -0.006 0.000 1.005 169 T CB 2.574 71.437 68.868 -0.008 0.000 1.136 169 T HN 0.097 8.331 8.240 -0.008 0.000 0.498 170 Q N 4.421 124.204 119.800 -0.028 0.000 2.365 170 Q HA 0.771 5.217 4.340 -0.098 -0.165 0.269 170 Q C -1.164 174.799 176.000 -0.062 0.000 1.061 170 Q CA -1.224 54.540 55.803 -0.066 0.000 0.816 170 Q CB 3.524 32.231 28.738 -0.052 0.000 1.325 170 Q HN 0.139 8.401 8.270 -0.014 0.000 0.446 171 G N 3.585 112.330 108.800 -0.091 0.000 2.772 171 G HA2 0.718 4.644 3.960 -0.056 0.000 0.284 171 G HA3 0.718 4.793 3.960 -0.064 -0.153 0.284 171 G C -2.540 172.308 174.900 -0.086 0.000 1.217 171 G CA 0.237 45.294 45.100 -0.072 0.000 0.831 171 G HN 0.318 8.535 8.290 -0.121 0.000 0.523 172 I N -6.077 114.453 120.570 -0.066 0.000 3.322 172 I HA 0.961 5.258 4.170 -0.069 -0.169 0.313 172 I C -1.350 174.737 176.117 -0.051 0.000 1.129 172 I CA -2.970 58.295 61.300 -0.058 0.000 0.963 172 I CB 4.494 42.472 38.000 -0.037 0.000 1.273 172 I HN 0.537 9.024 8.210 -0.059 -0.313 0.473 173 I N 1.055 121.604 120.570 -0.034 0.000 2.347 173 I HA 0.144 4.433 4.170 -0.039 -0.142 0.294 173 I C 0.666 176.767 176.117 -0.026 0.000 1.090 173 I CA 0.119 61.403 61.300 -0.027 0.000 1.314 173 I CB -1.280 36.719 38.000 -0.002 0.000 1.423 173 I HN -0.151 8.044 8.210 -0.026 0.000 0.503 174 S N 10.202 125.872 115.700 -0.050 0.000 2.345 174 S HA -0.192 4.256 4.470 -0.037 0.000 0.220 174 S C -0.595 173.985 174.600 -0.033 0.000 1.031 174 S CA 2.566 60.736 58.200 -0.050 0.000 0.996 174 S CB 0.355 63.505 63.200 -0.083 0.000 0.882 174 S HN 0.194 8.371 8.310 -0.069 0.091 0.445 175 A N -0.346 122.451 122.820 -0.038 0.000 2.398 175 A HA 0.341 4.661 4.320 -0.001 0.000 0.301 175 A C -2.037 175.552 177.584 0.008 0.000 1.041 175 A CA -0.942 51.089 52.037 -0.011 0.000 0.711 175 A CB 2.341 21.332 19.000 -0.014 0.000 1.240 175 A HN -0.810 7.306 8.150 -0.056 0.000 0.420 176 T N 2.136 116.704 114.554 0.024 0.000 2.919 176 T HA -0.075 4.296 4.350 0.035 0.000 0.302 176 T C 0.409 175.135 174.700 0.044 0.000 1.031 176 T CA -0.908 61.212 62.100 0.034 0.000 1.127 176 T CB 0.596 69.485 68.868 0.035 0.000 0.952 176 T HN 0.182 8.437 8.240 0.026 0.000 0.540 186 R N 0.857 121.375 120.500 0.031 0.000 2.081 186 R HA -0.108 4.233 4.340 0.003 0.000 0.235 186 R C 0.351 176.653 176.300 0.003 0.000 1.131 186 R CA 0.998 57.106 56.100 0.014 0.000 0.960 186 R CB 0.174 30.487 30.300 0.022 0.000 0.856 186 R HN -0.018 8.286 8.270 0.056 0.000 0.436 187 Q N -1.726 118.085 119.800 0.019 0.000 2.435 187 Q HA 0.062 4.382 4.340 -0.033 0.000 0.282 187 Q C -1.921 174.044 176.000 -0.058 0.000 1.020 187 Q CA -0.825 54.975 55.803 -0.006 0.000 0.820 187 Q CB 1.819 30.570 28.738 0.021 0.000 1.436 187 Q HN -0.425 7.881 8.270 0.060 0.000 0.395 188 N N -0.022 118.604 118.700 -0.125 0.000 2.415 188 N HA 0.039 4.420 4.740 -0.599 0.000 0.248 188 N C -0.943 174.552 175.510 -0.025 0.000 1.271 188 N CA -0.694 52.193 53.050 -0.272 0.000 0.913 188 N CB 0.856 39.248 38.487 -0.158 0.000 1.129 188 N HN 0.009 8.336 8.380 -0.087 0.000 0.444 189 F N -2.058 117.957 119.950 0.109 0.000 2.380 189 F HA -0.008 4.573 4.527 0.090 0.000 0.319 189 F C 0.270 176.162 175.800 0.153 0.000 1.113 189 F CA -2.432 55.656 58.000 0.147 0.000 1.056 189 F CB 1.001 40.136 39.000 0.225 0.000 1.289 189 F HN -0.183 7.942 8.300 -0.292 0.000 0.515 190 L N 0.792 122.212 121.223 0.329 0.000 2.380 190 L HA 0.183 4.791 4.340 0.111 -0.201 0.273 190 L C -1.060 175.845 176.870 0.058 0.000 1.138 190 L CA -0.234 54.695 54.840 0.148 0.000 0.832 190 L CB 1.357 43.475 42.059 0.100 0.000 1.124 190 L HN 0.061 8.488 8.230 0.329 0.000 0.454 191 Q N 5.400 125.156 119.800 -0.073 0.000 2.266 191 Q HA 0.854 5.091 4.340 -0.475 -0.182 0.261 191 Q C -0.596 175.294 176.000 -0.182 0.000 0.985 191 Q CA -1.301 54.333 55.803 -0.282 0.000 0.873 191 Q CB 3.346 31.895 28.738 -0.315 0.000 1.306 191 Q HN 0.420 8.666 8.270 -0.039 0.000 0.447 192 T N 0.744 115.170 114.554 -0.214 0.000 2.853 192 T HA 0.620 5.054 4.350 -0.107 -0.148 0.311 192 T C -1.467 173.156 174.700 -0.129 0.000 1.307 192 T CA -2.724 59.297 62.100 -0.130 0.000 1.019 192 T CB 1.402 70.216 68.868 -0.089 0.000 1.264 192 T HN 0.136 8.199 8.240 -0.296 0.000 0.497 193 D N 3.968 124.314 120.400 -0.089 0.000 2.363 193 D HA 0.287 4.880 4.640 -0.078 0.000 0.214 193 D C -0.433 175.835 176.300 -0.053 0.000 1.093 193 D CA -1.462 52.496 54.000 -0.070 0.000 0.837 193 D CB -0.035 40.733 40.800 -0.053 0.000 0.948 193 D HN 0.031 8.355 8.370 -0.078 0.000 0.507 194 A N 1.256 124.042 122.820 -0.057 0.000 2.488 194 A HA -0.043 4.379 4.320 -0.039 -0.125 0.249 194 A C -0.383 177.179 177.584 -0.037 0.000 1.083 194 A CA 0.470 52.479 52.037 -0.045 0.000 0.768 194 A CB 0.678 19.647 19.000 -0.051 0.000 1.017 194 A HN -0.649 7.416 8.150 -0.065 0.046 0.496 195 S N 1.592 117.277 115.700 -0.025 0.000 2.546 195 S HA -0.115 4.344 4.470 -0.019 0.000 0.290 195 S C -1.127 173.463 174.600 -0.017 0.000 1.262 195 S CA 0.477 58.666 58.200 -0.018 0.000 1.083 195 S CB 0.242 63.438 63.200 -0.008 0.000 0.859 195 S HN 0.194 8.491 8.310 -0.021 0.000 0.495 196 I N 4.463 125.023 120.570 -0.017 0.000 2.382 196 I HA 0.070 4.394 4.170 -0.012 -0.161 0.285 196 I C -1.228 174.866 176.117 -0.038 0.000 1.007 196 I CA -2.480 58.811 61.300 -0.015 0.000 1.142 196 I CB -0.232 37.770 38.000 0.003 0.000 1.289 196 I HN 0.105 8.304 8.210 -0.017 0.000 0.453 197 N N 6.946 125.619 118.700 -0.045 0.000 3.038 197 N HA 0.180 4.816 4.740 -0.173 0.000 0.307 197 N C 0.318 175.776 175.510 -0.087 0.000 1.441 197 N CA -1.547 51.445 53.050 -0.096 0.000 0.772 197 N CB 1.334 39.806 38.487 -0.024 0.000 1.651 197 N HN -0.772 7.788 8.380 -0.023 -0.194 0.593 198 H N -1.950 117.139 119.070 0.031 0.000 2.422 198 H HA -0.198 4.396 4.556 0.063 0.000 0.298 198 H C 1.939 177.286 175.328 0.032 0.000 1.098 198 H CA 4.310 60.383 56.048 0.042 0.000 1.315 198 H CB -0.316 29.466 29.762 0.033 0.000 1.382 198 H HN 0.460 8.677 8.280 -0.105 0.000 0.523 199 G N -3.324 105.554 108.800 0.130 0.000 2.509 199 G HA2 -0.179 3.822 3.960 0.069 0.000 0.218 199 G HA3 -0.179 3.818 3.960 0.062 0.000 0.218 199 G C -0.635 174.289 174.900 0.039 0.000 1.124 199 G CA 0.782 45.925 45.100 0.072 0.000 0.776 199 G HN 0.214 8.653 8.290 0.124 -0.075 0.547 200 N N -3.339 115.382 118.700 0.035 0.000 2.143 200 N HA 0.081 4.828 4.740 0.011 0.000 0.229 200 N C -0.276 175.245 175.510 0.018 0.000 1.294 200 N CA -1.429 51.631 53.050 0.016 0.000 0.883 200 N CB 1.366 39.857 38.487 0.008 0.000 1.148 200 N HN -0.533 7.792 8.380 0.038 0.078 0.511 201 S N 0.972 116.696 115.700 0.041 0.000 2.516 201 S HA -0.258 4.242 4.470 0.049 0.000 0.282 201 S C 0.027 174.646 174.600 0.031 0.000 1.286 201 S CA 2.029 60.268 58.200 0.064 0.000 1.066 201 S CB -0.003 63.288 63.200 0.152 0.000 0.884 201 S HN -0.459 7.773 8.310 0.055 0.111 0.491 202 G N 6.389 115.191 108.800 0.004 0.000 2.213 202 G HA2 -0.387 3.543 3.960 -0.050 0.000 0.236 202 G HA3 -0.387 3.535 3.960 -0.063 0.000 0.236 202 G C -0.498 174.383 174.900 -0.031 0.000 0.991 202 G CA -0.098 44.978 45.100 -0.039 0.000 0.629 202 G HN 0.417 8.604 8.290 0.014 0.111 0.517 203 G N 0.604 109.393 108.800 -0.017 0.000 2.516 203 G HA2 0.333 4.281 3.960 -0.020 0.000 0.276 203 G HA3 0.333 4.467 3.960 -0.012 -0.181 0.276 203 G C -2.285 172.607 174.900 -0.014 0.000 1.390 203 G CA -1.286 43.805 45.100 -0.016 0.000 1.050 203 G HN -0.509 7.707 8.290 -0.009 0.069 0.519 204 A N -2.646 120.166 122.820 -0.014 0.000 2.320 204 A HA 0.656 5.095 4.320 -0.011 -0.126 0.334 204 A C -2.194 175.380 177.584 -0.018 0.000 1.147 204 A CA -1.843 50.185 52.037 -0.015 0.000 0.820 204 A CB 3.109 22.096 19.000 -0.021 0.000 1.218 204 A HN -0.227 7.915 8.150 -0.014 0.000 0.482 205 L N 2.305 123.518 121.223 -0.017 0.000 2.313 205 L HA 0.973 5.497 4.340 -0.030 -0.202 0.283 205 L C -1.631 175.216 176.870 -0.039 0.000 1.013 205 L CA -1.466 53.360 54.840 -0.024 0.000 0.816 205 L CB 3.510 45.562 42.059 -0.011 0.000 1.236 205 L HN 0.025 8.250 8.230 -0.009 0.000 0.419 206 V N 0.053 119.934 119.914 -0.056 0.000 3.078 206 V HA 0.949 5.183 4.120 -0.084 -0.165 0.311 206 V C -1.536 174.508 176.094 -0.083 0.000 1.138 206 V CA -3.630 58.627 62.300 -0.073 0.000 1.007 206 V CB 3.811 35.595 31.823 -0.065 0.000 1.045 206 V HN 0.505 8.661 8.190 -0.058 0.000 0.432 207 N N 1.011 119.661 118.700 -0.084 0.000 2.443 207 N HA 0.555 5.434 4.740 -0.100 -0.199 0.294 207 N C 1.999 177.468 175.510 -0.068 0.000 1.289 207 N CA -1.643 51.358 53.050 -0.082 0.000 0.966 207 N CB 0.772 39.221 38.487 -0.062 0.000 1.122 207 N HN -0.259 8.067 8.380 -0.091 0.000 0.569 208 S N -0.823 114.851 115.700 -0.043 0.000 2.474 208 S HA -0.179 4.320 4.470 0.048 0.000 0.235 208 S C 0.613 175.250 174.600 0.061 0.000 0.997 208 S CA 2.385 60.613 58.200 0.046 0.000 0.949 208 S CB -0.660 62.622 63.200 0.137 0.000 0.766 208 S HN 0.331 8.617 8.310 -0.040 0.000 0.517 209 L N -2.855 118.377 121.223 0.014 0.000 2.554 209 L HA 0.213 4.566 4.340 0.021 0.000 0.225 209 L C 0.442 177.304 176.870 -0.014 0.000 1.104 209 L CA -0.006 54.837 54.840 0.005 0.000 0.866 209 L CB 0.445 42.498 42.059 -0.010 0.000 1.047 209 L HN -0.700 7.704 8.230 -0.007 -0.179 0.468 210 G N -3.024 105.759 108.800 -0.028 0.000 2.176 210 G HA2 -0.438 3.501 3.960 -0.034 0.000 0.232 210 G HA3 -0.438 3.504 3.960 -0.029 0.000 0.232 210 G C -0.478 174.377 174.900 -0.075 0.000 0.986 210 G CA -0.301 44.776 45.100 -0.039 0.000 0.643 210 G HN -0.481 7.786 8.290 -0.031 0.004 0.522 211 E N 0.385 120.524 120.200 -0.102 0.000 2.360 211 E HA -0.195 4.052 4.350 -0.171 0.000 0.269 211 E C -0.650 175.815 176.600 -0.224 0.000 1.022 211 E CA -0.300 55.996 56.400 -0.174 0.000 0.887 211 E CB 0.677 30.260 29.700 -0.195 0.000 0.990 211 E HN -0.599 7.862 8.360 -0.088 -0.154 0.426 212 L N 4.727 125.775 121.223 -0.292 0.000 2.462 212 L HA -0.179 4.190 4.340 -0.162 -0.126 0.272 212 L C -0.689 175.946 176.870 -0.392 0.000 1.166 212 L CA 1.248 55.926 54.840 -0.271 0.000 0.880 212 L CB 0.334 42.263 42.059 -0.218 0.000 1.142 212 L HN -0.152 7.899 8.230 -0.298 0.000 0.473 213 M N 3.322 122.858 119.600 -0.107 0.000 2.491 213 M HA 0.213 4.812 4.480 0.199 0.000 0.259 213 M C -0.141 176.311 176.300 0.252 0.000 1.163 213 M CA -0.126 55.239 55.300 0.108 0.000 1.109 213 M CB 1.764 34.395 32.600 0.052 0.000 1.353 213 M HN 0.547 8.797 8.290 -0.067 0.000 0.500 214 G N -3.300 105.578 108.800 0.130 0.000 2.349 214 G HA2 0.173 4.327 3.960 0.146 0.000 0.294 214 G HA3 0.173 4.197 3.960 0.089 -0.010 0.294 214 G C -3.014 171.911 174.900 0.042 0.000 1.380 214 G CA 0.477 45.642 45.100 0.107 0.000 0.811 214 G HN -0.678 7.651 8.290 0.066 0.000 0.519 215 I N -0.712 119.865 120.570 0.011 0.000 2.330 215 I HA 0.499 4.811 4.170 -0.007 -0.147 0.289 215 I C -0.277 175.827 176.117 -0.021 0.000 1.001 215 I CA -3.395 57.896 61.300 -0.014 0.000 1.193 215 I CB 0.268 38.248 38.000 -0.035 0.000 1.345 215 I HN -0.210 8.000 8.210 0.001 0.000 0.461 216 N N 9.124 127.820 118.700 -0.007 0.000 2.412 216 N HA -0.106 4.644 4.740 0.017 0.000 0.258 216 N C -0.400 175.119 175.510 0.014 0.000 1.236 216 N CA 1.210 54.264 53.050 0.008 0.000 0.882 216 N CB 0.234 38.725 38.487 0.007 0.000 1.066 216 N HN 0.218 8.594 8.380 -0.006 0.000 0.465 217 T N 1.954 116.530 114.554 0.037 0.000 2.896 217 T HA 0.409 4.807 4.350 0.079 0.000 0.297 217 T C -2.188 172.554 174.700 0.070 0.000 1.108 217 T CA -1.415 60.715 62.100 0.050 0.000 1.004 217 T CB 2.440 71.290 68.868 -0.031 0.000 1.159 217 T HN 0.330 8.605 8.240 0.058 0.000 0.499 218 L N 3.583 124.830 121.223 0.040 0.000 2.317 218 L HA 0.293 4.630 4.340 -0.004 0.000 0.281 218 L C -0.277 176.558 176.870 -0.058 0.000 1.024 218 L CA 0.011 54.827 54.840 -0.039 0.000 0.810 218 L CB 1.494 43.451 42.059 -0.171 0.000 1.240 218 L HN 0.297 8.573 8.230 0.076 0.000 0.427 230 E N 0.151 120.381 120.200 0.050 0.000 2.314 230 E HA 0.088 4.466 4.350 0.047 0.000 0.272 230 E C -0.369 176.241 176.600 0.017 0.000 0.884 230 E CA -0.391 56.031 56.400 0.037 0.000 0.753 230 E CB 1.720 31.436 29.700 0.026 0.000 1.213 230 E HN -0.402 7.981 8.360 0.039 0.000 0.432 231 G N 0.495 109.302 108.800 0.011 0.000 2.175 231 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.244 231 G HA3 -0.195 3.760 3.960 -0.009 0.000 0.244 231 G C -1.105 173.776 174.900 -0.031 0.000 0.982 231 G CA -0.311 44.785 45.100 -0.007 0.000 0.641 231 G HN 0.094 8.394 8.290 0.018 0.000 0.527 232 I N 0.622 121.169 120.570 -0.039 0.000 2.441 232 I HA 0.379 4.584 4.170 -0.134 -0.114 0.295 232 I C -0.011 176.019 176.117 -0.145 0.000 0.994 232 I CA -1.927 59.295 61.300 -0.129 0.000 1.144 232 I CB 1.566 39.449 38.000 -0.195 0.000 1.314 232 I HN -0.530 7.608 8.210 -0.008 0.066 0.445 233 G N 2.749 111.424 108.800 -0.208 0.000 2.509 233 G HA2 0.617 4.601 3.960 0.041 0.000 0.328 233 G HA3 0.617 4.541 3.960 -0.059 0.000 0.328 233 G C -2.520 172.190 174.900 -0.318 0.000 1.194 233 G CA -1.262 43.771 45.100 -0.112 0.000 0.967 233 G HN 0.605 8.767 8.290 -0.213 0.000 0.488 234 F N -2.017 117.950 119.950 0.027 0.000 2.551 234 F HA 0.834 5.596 4.527 0.077 -0.189 0.316 234 F C -1.899 173.908 175.800 0.012 0.000 1.089 234 F CA -1.476 56.560 58.000 0.060 0.000 0.915 234 F CB 4.667 43.742 39.000 0.126 0.000 1.186 234 F HN -0.486 7.966 8.300 0.255 0.000 0.456 235 A N 0.851 123.775 122.820 0.173 0.000 2.454 235 A HA 0.855 5.365 4.320 0.024 -0.176 0.302 235 A C -2.279 175.312 177.584 0.012 0.000 1.079 235 A CA -2.442 49.629 52.037 0.057 0.000 0.731 235 A CB 3.981 23.003 19.000 0.037 0.000 1.299 235 A HN 0.691 8.956 8.150 0.191 0.000 0.413 236 I N 0.528 121.031 120.570 -0.111 0.000 2.352 236 I HA 0.191 4.245 4.170 -0.193 0.000 0.290 236 I C -1.865 174.241 176.117 -0.018 0.000 1.036 236 I CA -3.044 58.156 61.300 -0.167 0.000 1.336 236 I CB 0.702 38.529 38.000 -0.288 0.000 1.407 236 I HN -0.078 8.065 8.210 -0.111 0.000 0.497 237 P HA 0.011 4.626 4.420 0.066 -0.156 0.265 237 P C 0.857 178.139 177.300 -0.031 0.000 1.187 237 P CA -0.045 63.062 63.100 0.011 0.000 0.766 237 P CB 0.199 31.876 31.700 -0.037 0.000 0.820 238 F N 2.977 122.918 119.950 -0.016 0.000 2.333 238 F HA -0.329 4.180 4.527 -0.029 0.000 0.300 238 F C 1.217 177.005 175.800 -0.020 0.000 1.083 238 F CA 3.265 61.251 58.000 -0.024 0.000 1.395 238 F CB -0.456 38.529 39.000 -0.025 0.000 1.056 238 F HN -0.284 8.172 8.300 0.260 0.000 0.529 239 Q N 0.136 119.432 119.800 -0.840 0.000 2.046 239 Q HA -0.352 3.692 4.340 -0.492 0.000 0.200 239 Q C 2.047 177.913 176.000 -0.223 0.000 0.975 239 Q CA 3.344 58.810 55.803 -0.563 0.000 0.836 239 Q CB -0.981 27.406 28.738 -0.585 0.000 0.896 239 Q HN 0.041 7.637 8.270 -1.081 0.026 0.428 240 L N -1.042 120.079 121.223 -0.170 0.000 2.093 240 L HA -0.216 4.082 4.340 -0.071 0.000 0.208 240 L C 1.172 178.010 176.870 -0.053 0.000 1.085 240 L CA 2.364 57.157 54.840 -0.078 0.000 0.755 240 L CB -0.616 41.424 42.059 -0.032 0.000 0.904 240 L HN -0.745 7.368 8.230 -0.196 0.000 0.435 241 A N -1.848 120.944 122.820 -0.046 0.000 1.930 241 A HA -0.301 3.996 4.320 -0.038 0.000 0.217 241 A C 1.967 179.541 177.584 -0.017 0.000 1.175 241 A CA 3.281 55.303 52.037 -0.025 0.000 0.627 241 A CB -0.904 18.096 19.000 0.001 0.000 0.815 241 A HN -0.150 7.969 8.150 -0.051 0.000 0.443 242 T N 0.573 115.126 114.554 -0.002 0.000 2.720 242 T HA -0.453 3.899 4.350 0.003 0.000 0.268 242 T C 1.994 176.675 174.700 -0.032 0.000 1.037 242 T CA 5.266 67.366 62.100 -0.000 0.000 1.144 242 T CB -0.174 68.713 68.868 0.031 0.000 0.864 242 T HN -0.406 7.836 8.240 0.004 0.000 0.444 243 K N 0.947 121.323 120.400 -0.039 0.000 2.097 243 K HA -0.228 4.067 4.320 -0.042 0.000 0.205 243 K C 2.483 179.057 176.600 -0.044 0.000 1.050 243 K CA 3.413 59.675 56.287 -0.042 0.000 0.938 243 K CB -0.153 32.322 32.500 -0.042 0.000 0.718 243 K HN -0.790 7.433 8.250 -0.044 0.000 0.442 244 I N -0.046 120.500 120.570 -0.041 0.000 2.252 244 I HA -0.499 3.649 4.170 -0.036 0.000 0.245 244 I C 1.590 177.673 176.117 -0.056 0.000 1.102 244 I CA 4.055 65.331 61.300 -0.041 0.000 1.385 244 I CB 0.057 38.036 38.000 -0.035 0.000 1.064 244 I HN -0.385 7.801 8.210 -0.039 0.000 0.414 245 M N 0.480 120.041 119.600 -0.065 0.000 2.067 245 M HA -0.553 3.871 4.480 -0.094 0.000 0.260 245 M C 1.550 177.765 176.300 -0.141 0.000 1.069 245 M CA 4.337 59.578 55.300 -0.099 0.000 1.117 245 M CB -0.114 32.430 32.600 -0.094 0.000 1.334 245 M HN -0.331 7.925 8.290 -0.056 0.000 0.407 246 D N -0.551 119.777 120.400 -0.120 0.000 2.106 246 D HA -0.368 4.170 4.640 -0.170 0.000 0.191 246 D C 2.530 178.767 176.300 -0.105 0.000 0.997 246 D CA 3.508 57.433 54.000 -0.125 0.000 0.834 246 D CB -0.655 40.096 40.800 -0.082 0.000 0.956 246 D HN -0.360 7.953 8.370 -0.094 0.000 0.448 247 K N -1.353 119.002 120.400 -0.074 0.000 2.209 247 K HA -0.231 4.059 4.320 -0.050 0.000 0.204 247 K C 2.562 179.128 176.600 -0.056 0.000 1.048 247 K CA 3.021 59.275 56.287 -0.055 0.000 0.940 247 K CB -0.094 32.383 32.500 -0.039 0.000 0.729 247 K HN -0.640 7.570 8.250 -0.067 0.000 0.451 248 L N -0.874 120.307 121.223 -0.070 0.000 2.240 248 L HA -0.067 4.522 4.340 -0.042 -0.274 0.211 248 L C 2.132 178.957 176.870 -0.075 0.000 1.106 248 L CA 2.070 56.874 54.840 -0.060 0.000 0.793 248 L CB 0.170 42.195 42.059 -0.056 0.000 0.927 248 L HN -0.523 7.537 8.230 -0.080 0.121 0.446 249 I N -2.727 117.761 120.570 -0.137 0.000 2.353 249 I HA -0.427 3.658 4.170 -0.142 0.000 0.248 249 I C 1.281 177.352 176.117 -0.077 0.000 1.119 249 I CA 2.793 63.990 61.300 -0.172 0.000 1.417 249 I CB -0.173 37.602 38.000 -0.375 0.000 1.078 249 I HN -0.423 7.591 8.210 -0.160 0.100 0.421 250 R N -1.314 119.145 120.500 -0.067 0.000 2.057 250 R HA -0.156 4.168 4.340 -0.027 0.000 0.224 250 R C 0.904 177.192 176.300 -0.020 0.000 1.136 250 R CA 2.339 58.418 56.100 -0.036 0.000 0.968 250 R CB 0.913 31.191 30.300 -0.037 0.000 0.863 250 R HN -0.628 7.596 8.270 -0.078 0.000 0.433 251 D N -4.426 115.961 120.400 -0.022 0.000 2.259 251 D HA 0.091 4.726 4.640 -0.009 0.000 0.216 251 D C 0.532 176.828 176.300 -0.008 0.000 0.961 251 D CA 0.300 54.292 54.000 -0.013 0.000 0.878 251 D CB 1.197 41.989 40.800 -0.014 0.000 1.009 251 D HN -0.534 7.819 8.370 -0.030 0.000 0.490 252 G N -0.922 107.872 108.800 -0.011 0.000 2.341 252 G HA2 -0.309 3.713 3.960 -0.001 0.000 0.196 252 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.196 252 G C -2.082 172.813 174.900 -0.008 0.000 1.231 252 G CA -0.719 44.378 45.100 -0.004 0.000 1.155 252 G HN -0.993 7.286 8.290 -0.019 0.000 0.529 253 R N 1.662 122.160 120.500 -0.004 0.000 2.522 253 R HA 0.208 4.702 4.340 -0.007 -0.158 0.284 253 R C -0.252 176.045 176.300 -0.006 0.000 1.032 253 R CA 0.546 56.644 56.100 -0.004 0.000 1.049 253 R CB 0.047 30.347 30.300 -0.000 0.000 0.956 253 R HN 0.028 8.298 8.270 -0.000 0.000 0.422 254 V N 4.674 124.583 119.914 -0.008 0.000 2.680 254 V HA 0.228 4.344 4.120 -0.008 0.000 0.309 254 V C -1.565 174.526 176.094 -0.005 0.000 1.052 254 V CA -0.664 61.631 62.300 -0.008 0.000 0.908 254 V CB 2.741 34.556 31.823 -0.014 0.000 1.001 254 V HN 0.196 8.381 8.190 -0.008 0.000 0.431 255 I N 0.000 120.568 120.570 -0.004 0.000 2.984 255 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 255 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 255 I CB 0.000 38.000 38.000 -0.000 0.000 1.214 255 I HN 0.000 8.207 8.210 -0.005 0.000 0.494