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 2cdo_1_D DATA FIRST_RESID 2 DATA SEQUENCE TASXAVEAEN FNAVGGTFSD GQAQPVSVYT VNGNTAINYV NQGDYADYTI DATA SEQUENCE AVAQAGNYTI SYQAGSGVTG GSIEFXVNEN GSWASKTVTA VPNQGWDNFQ DATA SEQUENCE PLNGGSVYLS AGTHQVRLHG AGSNNWQWNL DKFTLSN 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 2 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 2 T C 0.000 174.699 174.700 -0.002 0.000 1.109 2 T CA 0.000 62.083 62.100 -0.028 0.000 1.349 2 T CB 0.000 68.855 68.868 -0.023 0.000 0.612 3 A N 1.358 124.183 122.820 0.008 0.000 2.414 3 A HA 1.003 5.323 4.320 0.000 0.000 0.306 3 A C -0.188 177.482 177.584 0.143 0.000 1.054 3 A CA -0.696 51.394 52.037 0.089 0.000 0.724 3 A CB 2.113 21.214 19.000 0.168 0.000 1.267 3 A HN 1.183 9.333 8.150 -0.000 0.000 0.418 7 V N 2.783 122.347 119.914 -0.584 0.000 2.487 7 V HA 0.465 4.585 4.120 0.000 0.000 0.298 7 V C -0.291 175.504 176.094 -0.499 0.000 1.028 7 V CA -0.767 61.152 62.300 -0.636 0.000 0.860 7 V CB 1.747 32.826 31.823 -1.240 0.000 0.991 7 V HN 0.854 9.044 8.190 -0.000 0.000 0.427 8 E N 2.685 122.758 120.200 -0.212 0.000 2.290 8 E HA 0.294 4.644 4.350 0.000 0.000 0.277 8 E C 1.107 177.755 176.600 0.079 0.000 1.035 8 E CA 0.178 56.534 56.400 -0.074 0.000 0.873 8 E CB 1.817 31.497 29.700 -0.033 0.000 1.029 8 E HN 0.769 9.129 8.360 -0.000 0.000 0.419 9 A N 4.234 127.150 122.820 0.159 0.000 2.024 9 A HA -0.206 4.114 4.320 0.000 0.000 0.220 9 A C 1.649 179.573 177.584 0.566 0.000 1.164 9 A CA 1.483 53.775 52.037 0.424 0.000 0.643 9 A CB -0.259 18.964 19.000 0.373 0.000 0.806 9 A HN 0.617 8.767 8.150 -0.000 0.000 0.451 10 E N -0.092 120.286 120.200 0.297 0.000 2.427 10 E HA -0.078 4.272 4.350 0.000 0.000 0.196 10 E C -0.138 176.358 176.600 -0.174 0.000 1.028 10 E CA 0.448 56.939 56.400 0.152 0.000 0.864 10 E CB -0.479 29.267 29.700 0.077 0.000 0.813 10 E HN 0.474 8.834 8.360 -0.000 0.000 0.514 11 N N 1.674 120.379 118.700 0.009 0.000 2.389 11 N HA 0.102 4.842 4.740 0.000 0.000 0.237 11 N C -0.316 175.200 175.510 0.010 0.000 1.148 11 N CA -0.235 52.769 53.050 -0.076 0.000 0.854 11 N CB -0.538 37.957 38.487 0.014 0.000 1.115 11 N HN 0.195 8.575 8.380 -0.000 0.000 0.492 12 F N 0.266 120.279 119.950 0.105 0.000 2.545 12 F HA 0.114 4.641 4.527 0.000 0.000 0.348 12 F C 1.416 177.123 175.800 -0.154 0.000 1.163 12 F CA -1.067 56.740 58.000 -0.322 0.000 1.331 12 F CB 0.272 39.018 39.000 -0.424 0.000 1.138 12 F HN -0.036 8.264 8.300 -0.000 0.000 0.602 13 N N 0.575 119.323 118.700 0.080 0.000 2.373 13 N HA 0.406 5.146 4.740 0.000 0.000 0.181 13 N C -0.499 175.132 175.510 0.201 0.000 1.082 13 N CA 0.406 53.530 53.050 0.123 0.000 0.885 13 N CB 0.544 39.086 38.487 0.092 0.000 0.977 13 N HN 0.932 9.312 8.380 -0.000 0.000 0.462 14 A N -0.584 122.378 122.820 0.236 0.000 2.594 14 A HA 0.600 4.920 4.320 0.000 0.000 0.296 14 A C -1.295 176.200 177.584 -0.148 0.000 1.056 14 A CA -0.420 51.686 52.037 0.116 0.000 0.693 14 A CB 0.773 19.850 19.000 0.128 0.000 1.278 14 A HN 0.470 8.620 8.150 -0.000 0.000 0.408 15 V N -1.156 118.542 119.914 -0.360 0.000 3.040 15 V HA 1.075 5.195 4.120 0.000 0.000 0.312 15 V C 0.125 175.809 176.094 -0.682 0.000 1.115 15 V CA -0.034 61.873 62.300 -0.655 0.000 0.998 15 V CB 1.475 32.765 31.823 -0.888 0.000 1.042 15 V HN 2.242 10.432 8.190 -0.000 0.000 0.433 16 G N -0.750 107.291 108.800 -1.266 0.000 2.684 16 G HA2 0.954 4.915 3.960 0.000 0.000 0.290 16 G HA3 0.954 4.915 3.960 0.000 0.000 0.290 16 G C -0.446 173.998 174.900 -0.761 0.000 1.425 16 G CA -0.311 44.202 45.100 -0.979 0.000 0.822 16 G HN 2.030 10.320 8.290 -0.000 0.000 0.482 17 G N -1.832 106.786 108.800 -0.303 0.000 2.368 17 G HA2 0.524 4.484 3.960 0.000 0.000 0.303 17 G HA3 0.524 4.484 3.960 0.000 0.000 0.303 17 G C 0.357 175.216 174.900 -0.068 0.000 1.590 17 G CA 0.959 45.973 45.100 -0.143 0.000 0.938 17 G HN 1.486 9.776 8.290 -0.000 0.000 0.675 18 T N -1.340 113.206 114.554 -0.012 0.000 3.051 18 T HA 0.261 4.612 4.350 0.000 0.000 0.255 18 T C 1.098 175.779 174.700 -0.031 0.000 1.085 18 T CA 0.273 62.361 62.100 -0.019 0.000 1.109 18 T CB -0.022 68.843 68.868 -0.005 0.000 0.921 18 T HN 0.756 8.996 8.240 -0.000 0.000 0.488 19 F N 3.710 123.566 119.950 -0.157 0.000 2.608 19 F HA 0.284 4.811 4.527 0.000 0.000 0.380 19 F C 0.138 175.829 175.800 -0.181 0.000 1.083 19 F CA -0.289 57.593 58.000 -0.195 0.000 1.266 19 F CB 0.388 39.206 39.000 -0.304 0.000 1.076 19 F HN -0.011 8.289 8.300 -0.000 0.000 0.574 20 S N 5.191 120.475 115.700 -0.693 0.000 2.494 20 S HA 0.074 4.544 4.470 0.000 0.000 0.312 20 S C 0.259 174.703 174.600 -0.260 0.000 1.121 20 S CA -0.359 57.603 58.200 -0.397 0.000 1.068 20 S CB -0.015 62.959 63.200 -0.377 0.000 1.141 20 S HN 0.657 8.967 8.310 -0.000 0.000 0.527 21 D N 1.130 121.529 120.400 -0.002 0.000 2.395 21 D HA 0.212 4.853 4.640 0.000 0.000 0.213 21 D C 1.245 177.575 176.300 0.050 0.000 1.110 21 D CA 0.104 54.207 54.000 0.172 0.000 0.835 21 D CB -0.313 40.647 40.800 0.266 0.000 0.965 21 D HN 0.603 8.973 8.370 -0.000 0.000 0.505 22 G N -0.129 108.648 108.800 -0.039 0.000 2.184 22 G HA2 -0.286 3.674 3.960 0.000 0.000 0.264 22 G HA3 -0.286 3.674 3.960 0.000 0.000 0.264 22 G C 0.237 175.061 174.900 -0.127 0.000 0.975 22 G CA 0.384 45.442 45.100 -0.071 0.000 0.642 22 G HN 0.399 8.689 8.290 -0.000 0.000 0.536 23 Q N -1.251 118.443 119.800 -0.177 0.000 2.427 23 Q HA 0.808 5.148 4.340 0.000 0.000 0.232 23 Q C 1.393 177.304 176.000 -0.147 0.000 1.018 23 Q CA -0.022 55.645 55.803 -0.226 0.000 0.965 23 Q CB 1.086 29.600 28.738 -0.374 0.000 1.232 23 Q HN 0.558 8.828 8.270 -0.000 0.000 0.510 24 A N -0.269 122.476 122.820 -0.125 0.000 1.997 24 A HA 0.079 4.399 4.320 0.000 0.000 0.212 24 A C 0.230 177.768 177.584 -0.075 0.000 1.178 24 A CA 0.848 52.837 52.037 -0.080 0.000 0.698 24 A CB 0.375 19.341 19.000 -0.056 0.000 0.842 24 A HN 0.519 8.669 8.150 -0.000 0.000 0.458 25 Q N -1.936 117.808 119.800 -0.092 0.000 2.451 25 Q HA 0.454 4.794 4.340 0.000 0.000 0.281 25 Q C -2.390 173.520 176.000 -0.149 0.000 1.099 25 Q CA -1.794 53.943 55.803 -0.109 0.000 0.806 25 Q CB 1.761 30.444 28.738 -0.093 0.000 1.419 25 Q HN -0.061 8.209 8.270 -0.000 0.000 0.427 26 P HA -0.053 4.367 4.420 -0.000 0.000 0.225 26 P C -0.629 176.538 177.300 -0.222 0.000 1.148 26 P CA 0.827 63.808 63.100 -0.198 0.000 0.779 26 P CB 0.401 31.952 31.700 -0.248 0.000 0.780 27 V N -1.159 118.602 119.914 -0.256 0.000 2.709 27 V HA 0.368 4.488 4.120 0.000 0.000 0.308 27 V C 0.005 176.032 176.094 -0.111 0.000 1.062 27 V CA -0.470 61.698 62.300 -0.220 0.000 0.901 27 V CB 2.266 33.867 31.823 -0.371 0.000 1.003 27 V HN -0.185 8.005 8.190 -0.000 0.000 0.425 28 S N 2.109 117.832 115.700 0.039 0.000 2.689 28 S HA 0.822 5.292 4.470 0.000 0.000 0.306 28 S C -0.708 174.051 174.600 0.265 0.000 1.104 28 S CA -0.652 57.625 58.200 0.128 0.000 0.973 28 S CB 2.232 65.481 63.200 0.082 0.000 1.121 28 S HN 0.464 8.774 8.310 -0.000 0.000 0.523 29 V N 2.239 122.324 119.914 0.285 0.000 2.628 29 V HA 0.656 4.776 4.120 0.000 0.000 0.306 29 V C -1.057 175.261 176.094 0.374 0.000 1.045 29 V CA -0.626 61.874 62.300 0.333 0.000 0.905 29 V CB 1.073 33.050 31.823 0.257 0.000 0.997 29 V HN 0.921 9.111 8.190 -0.000 0.000 0.436 30 Y N 1.062 121.461 120.300 0.165 0.000 2.625 30 Y HA 0.832 5.382 4.550 0.000 0.000 0.338 30 Y C -0.683 175.303 175.900 0.144 0.000 1.123 30 Y CA -0.849 57.340 58.100 0.148 0.000 1.046 30 Y CB 2.125 40.682 38.460 0.163 0.000 1.299 30 Y HN 0.427 8.707 8.280 -0.000 0.000 0.464 31 T N 2.830 117.347 114.554 -0.062 0.000 2.841 31 T HA 0.602 4.952 4.350 0.000 0.000 0.283 31 T C -1.649 172.955 174.700 -0.160 0.000 1.000 31 T CA -0.721 61.279 62.100 -0.167 0.000 0.977 31 T CB 1.494 70.345 68.868 -0.029 0.000 0.979 31 T HN 0.756 8.996 8.240 -0.000 0.000 0.446 32 V N 4.185 123.996 119.914 -0.172 0.000 2.777 32 V HA 0.416 4.536 4.120 0.000 0.000 0.306 32 V C -0.958 175.150 176.094 0.024 0.000 1.112 32 V CA -0.721 61.559 62.300 -0.034 0.000 0.917 32 V CB 1.682 33.509 31.823 0.008 0.000 1.018 32 V HN 0.958 9.148 8.190 -0.000 0.000 0.426 33 N N 4.352 123.072 118.700 0.034 0.000 2.735 33 N HA -0.189 4.551 4.740 0.000 0.000 0.248 33 N C 1.026 176.562 175.510 0.043 0.000 1.083 33 N CA 1.871 54.945 53.050 0.041 0.000 0.703 33 N CB -1.282 37.234 38.487 0.049 0.000 1.005 33 N HN 1.986 10.366 8.380 -0.000 0.000 0.550 34 G N -1.126 107.690 108.800 0.028 0.000 2.155 34 G HA2 -0.356 3.605 3.960 0.000 0.000 0.257 34 G HA3 -0.356 3.605 3.960 0.000 0.000 0.257 34 G C -0.112 174.799 174.900 0.019 0.000 0.983 34 G CA 0.641 45.753 45.100 0.021 0.000 0.676 34 G HN 0.662 8.952 8.290 -0.000 0.000 0.528 35 N N 0.156 118.874 118.700 0.029 0.000 2.372 35 N HA 0.585 5.325 4.740 0.000 0.000 0.291 35 N C -0.482 174.993 175.510 -0.058 0.000 1.024 35 N CA -0.387 52.673 53.050 0.017 0.000 0.873 35 N CB 1.509 40.075 38.487 0.131 0.000 1.206 35 N HN 0.068 8.448 8.380 -0.000 0.000 0.486 36 T N 1.315 115.822 114.554 -0.079 0.000 2.829 36 T HA 0.767 5.117 4.350 0.000 0.000 0.282 36 T C -0.426 174.208 174.700 -0.109 0.000 0.990 36 T CA -0.435 61.611 62.100 -0.089 0.000 1.028 36 T CB 1.237 70.086 68.868 -0.032 0.000 0.951 36 T HN 0.607 8.847 8.240 -0.000 0.000 0.460 37 A N 2.502 125.277 122.820 -0.074 0.000 2.602 37 A HA 0.829 5.149 4.320 0.000 0.000 0.290 37 A C -0.952 176.821 177.584 0.314 0.000 1.114 37 A CA -1.027 51.026 52.037 0.028 0.000 0.683 37 A CB 0.986 19.913 19.000 -0.122 0.000 1.281 37 A HN 0.944 9.094 8.150 -0.000 0.000 0.416 38 I N -0.249 120.549 120.570 0.380 0.000 2.428 38 I HA 0.738 4.908 4.170 0.000 0.000 0.296 38 I C -0.249 176.116 176.117 0.414 0.000 0.985 38 I CA -0.649 60.900 61.300 0.415 0.000 1.260 38 I CB 1.488 39.714 38.000 0.377 0.000 1.389 38 I HN 0.809 9.019 8.210 -0.000 0.000 0.484 39 N N 2.804 121.669 118.700 0.276 0.000 3.387 39 N HA 0.316 5.057 4.740 0.000 0.000 0.322 39 N C -0.463 175.086 175.510 0.065 0.000 1.588 39 N CA -1.060 52.011 53.050 0.035 0.000 0.778 39 N CB 0.131 38.389 38.487 -0.382 0.000 1.883 39 N HN 0.797 9.177 8.380 -0.000 0.000 0.628 40 Y N -1.910 118.300 120.300 -0.150 0.000 3.396 40 Y HA -0.162 4.388 4.550 -0.000 0.000 0.214 40 Y C -0.345 175.415 175.900 -0.233 0.000 1.203 40 Y CA 0.333 58.402 58.100 -0.053 0.000 1.401 40 Y CB -1.739 36.702 38.460 -0.032 0.000 1.409 40 Y HN 0.312 8.592 8.280 -0.000 0.000 0.594 41 V N 1.696 121.467 119.914 -0.239 0.000 2.385 41 V HA 0.225 4.345 4.120 0.000 0.000 0.269 41 V C 0.518 176.261 176.094 -0.587 0.000 1.043 41 V CA -0.789 61.221 62.300 -0.483 0.000 0.906 41 V CB 1.038 32.374 31.823 -0.812 0.000 0.995 41 V HN 0.298 8.488 8.190 -0.000 0.000 0.467 42 N N 2.867 121.181 118.700 -0.643 0.000 2.518 42 N HA 0.269 5.009 4.740 0.000 0.000 0.284 42 N C -0.200 174.974 175.510 -0.560 0.000 1.230 42 N CA -0.745 51.811 53.050 -0.823 0.000 0.941 42 N CB 1.236 39.020 38.487 -1.172 0.000 1.219 42 N HN 0.689 9.069 8.380 -0.000 0.000 0.560 43 Q N -0.062 119.435 119.800 -0.505 0.000 2.269 43 Q HA 0.068 4.408 4.340 0.000 0.000 0.300 43 Q C 0.722 176.615 176.000 -0.178 0.000 1.070 43 Q CA 1.163 56.792 55.803 -0.290 0.000 0.957 43 Q CB -0.126 28.493 28.738 -0.198 0.000 1.131 43 Q HN 0.893 9.163 8.270 -0.000 0.000 0.377 44 G N 3.535 112.258 108.800 -0.129 0.000 2.179 44 G HA2 -0.224 3.736 3.960 0.000 0.000 0.260 44 G HA3 -0.224 3.736 3.960 0.000 0.000 0.260 44 G C -0.279 174.715 174.900 0.157 0.000 0.977 44 G CA 0.182 45.360 45.100 0.130 0.000 0.641 44 G HN 0.693 8.983 8.290 -0.000 0.000 0.533 45 D N -0.143 120.223 120.400 -0.057 0.000 2.358 45 D HA 0.617 5.257 4.640 0.000 0.000 0.244 45 D C 0.404 176.725 176.300 0.035 0.000 1.163 45 D CA 0.770 54.690 54.000 -0.133 0.000 0.945 45 D CB 0.694 41.307 40.800 -0.313 0.000 1.152 45 D HN 0.636 9.006 8.370 -0.000 0.000 0.451 46 Y N -2.291 117.961 120.300 -0.080 0.000 2.609 46 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 46 Y C -1.769 174.049 175.900 -0.136 0.000 1.129 46 Y CA -1.493 56.574 58.100 -0.055 0.000 1.040 46 Y CB 0.957 39.357 38.460 -0.100 0.000 1.310 46 Y HN 0.356 8.636 8.280 -0.000 0.000 0.460 47 A N 1.869 124.741 122.820 0.086 0.000 2.398 47 A HA 0.705 5.025 4.320 0.000 0.000 0.301 47 A C -1.859 175.698 177.584 -0.045 0.000 1.041 47 A CA -0.677 51.310 52.037 -0.084 0.000 0.711 47 A CB 1.204 20.212 19.000 0.014 0.000 1.240 47 A HN 0.698 8.848 8.150 -0.000 0.000 0.420 48 D N 0.587 120.871 120.400 -0.194 0.000 2.248 48 D HA 0.649 5.289 4.640 0.000 0.000 0.246 48 D C -1.293 174.794 176.300 -0.355 0.000 1.027 48 D CA 0.528 54.471 54.000 -0.094 0.000 0.853 48 D CB 1.212 42.084 40.800 0.121 0.000 1.243 48 D HN 0.407 8.777 8.370 -0.000 0.000 0.462 49 Y N -0.383 120.071 120.300 0.257 0.000 2.512 49 Y HA 0.406 4.956 4.550 0.000 0.000 0.348 49 Y C 0.264 176.298 175.900 0.224 0.000 0.990 49 Y CA -0.846 57.411 58.100 0.262 0.000 1.033 49 Y CB 2.233 40.902 38.460 0.347 0.000 1.259 49 Y HN 0.028 8.308 8.280 -0.000 0.000 0.461 50 T N 4.462 119.201 114.554 0.308 0.000 2.771 50 T HA 0.663 5.013 4.350 0.000 0.000 0.281 50 T C -0.535 174.282 174.700 0.194 0.000 0.982 50 T CA -0.439 61.791 62.100 0.218 0.000 0.978 50 T CB 0.303 69.254 68.868 0.139 0.000 0.930 50 T HN 0.354 8.594 8.240 -0.000 0.000 0.447 51 I N 2.280 122.959 120.570 0.182 0.000 2.545 51 I HA 0.639 4.809 4.170 0.000 0.000 0.292 51 I C -0.045 176.128 176.117 0.094 0.000 1.040 51 I CA -1.204 60.174 61.300 0.129 0.000 1.068 51 I CB 1.861 39.952 38.000 0.152 0.000 1.251 51 I HN 0.636 8.846 8.210 -0.000 0.000 0.424 52 A N 6.137 128.983 122.820 0.044 0.000 2.292 52 A HA 0.751 5.071 4.320 0.000 0.000 0.319 52 A C -0.707 176.883 177.584 0.010 0.000 1.206 52 A CA -0.463 51.587 52.037 0.023 0.000 0.835 52 A CB 1.030 20.035 19.000 0.008 0.000 1.164 52 A HN 0.447 8.597 8.150 -0.000 0.000 0.505 53 V N 3.081 123.009 119.914 0.025 0.000 2.326 53 V HA 0.406 4.526 4.120 0.000 0.000 0.281 53 V C 1.135 177.248 176.094 0.033 0.000 1.015 53 V CA 0.241 62.540 62.300 -0.001 0.000 0.823 53 V CB 0.717 32.550 31.823 0.016 0.000 1.009 53 V HN 1.127 9.317 8.190 -0.000 0.000 0.436 54 A N 3.978 126.819 122.820 0.035 0.000 1.929 54 A HA -0.012 4.308 4.320 0.000 0.000 0.216 54 A C 1.197 178.820 177.584 0.065 0.000 1.176 54 A CA 1.041 53.104 52.037 0.044 0.000 0.628 54 A CB 0.013 19.036 19.000 0.037 0.000 0.816 54 A HN 0.716 8.866 8.150 -0.000 0.000 0.444 55 Q N -0.364 119.498 119.800 0.103 0.000 2.327 55 Q HA 0.634 4.974 4.340 0.000 0.000 0.270 55 Q C -0.488 175.604 176.000 0.154 0.000 1.022 55 Q CA -0.068 55.804 55.803 0.115 0.000 0.773 55 Q CB 1.200 30.005 28.738 0.112 0.000 1.251 55 Q HN 0.436 8.706 8.270 -0.000 0.000 0.457 56 A N 2.635 125.515 122.820 0.100 0.000 2.520 56 A HA 0.630 4.950 4.320 0.000 0.000 0.235 56 A C 0.450 178.025 177.584 -0.014 0.000 1.065 56 A CA 0.865 52.931 52.037 0.047 0.000 0.764 56 A CB -0.116 18.948 19.000 0.108 0.000 1.002 56 A HN 1.091 9.241 8.150 -0.000 0.000 0.502 57 G N 0.352 109.004 108.800 -0.247 0.000 2.368 57 G HA2 0.374 4.334 3.960 0.000 0.000 0.293 57 G HA3 0.374 4.334 3.960 0.000 0.000 0.293 57 G C -1.304 173.354 174.900 -0.405 0.000 1.467 57 G CA -0.791 44.126 45.100 -0.305 0.000 0.804 57 G HN 0.871 9.161 8.290 -0.000 0.000 0.535 58 N N -0.315 118.290 118.700 -0.158 0.000 2.406 58 N HA 0.494 5.234 4.740 0.000 0.000 0.251 58 N C -1.302 174.052 175.510 -0.260 0.000 1.069 58 N CA -0.100 52.924 53.050 -0.044 0.000 0.947 58 N CB 0.180 38.710 38.487 0.073 0.000 1.111 58 N HN 0.374 8.754 8.380 -0.000 0.000 0.497 59 Y N 1.677 121.911 120.300 -0.110 0.000 2.331 59 Y HA 0.268 4.818 4.550 0.000 0.000 0.338 59 Y C 0.644 176.456 175.900 -0.147 0.000 0.976 59 Y CA -0.704 57.324 58.100 -0.120 0.000 1.137 59 Y CB 1.349 39.731 38.460 -0.129 0.000 1.172 59 Y HN 0.329 8.609 8.280 -0.000 0.000 0.478 60 T N 5.453 119.989 114.554 -0.031 0.000 2.870 60 T HA 0.321 4.671 4.350 0.000 0.000 0.300 60 T C 0.137 174.767 174.700 -0.116 0.000 0.989 60 T CA -0.156 61.893 62.100 -0.085 0.000 1.139 60 T CB 0.018 68.840 68.868 -0.077 0.000 0.920 60 T HN 0.354 8.594 8.240 -0.000 0.000 0.537 61 I N 2.766 123.192 120.570 -0.240 0.000 2.342 61 I HA 0.319 4.489 4.170 0.000 0.000 0.291 61 I C 0.553 176.441 176.117 -0.382 0.000 1.010 61 I CA -0.191 60.882 61.300 -0.378 0.000 1.308 61 I CB 1.307 38.907 38.000 -0.666 0.000 1.400 61 I HN 0.473 8.683 8.210 -0.000 0.000 0.488 62 S N 6.268 121.781 115.700 -0.312 0.000 2.596 62 S HA 0.535 5.005 4.470 0.000 0.000 0.318 62 S C -0.865 173.617 174.600 -0.196 0.000 1.097 62 S CA -0.493 57.562 58.200 -0.241 0.000 1.080 62 S CB 0.318 63.466 63.200 -0.087 0.000 0.991 62 S HN 0.312 8.622 8.310 -0.000 0.000 0.471 63 Y N 2.308 122.627 120.300 0.032 0.000 2.320 63 Y HA 0.456 5.006 4.550 0.000 0.000 0.324 63 Y C 0.838 176.765 175.900 0.045 0.000 1.190 63 Y CA -0.742 57.382 58.100 0.040 0.000 1.215 63 Y CB 0.733 39.157 38.460 -0.059 0.000 1.221 63 Y HN 0.419 8.699 8.280 -0.000 0.000 0.486 64 Q N 2.428 122.360 119.800 0.219 0.000 2.509 64 Q HA 0.614 4.954 4.340 0.000 0.000 0.230 64 Q C -0.861 175.252 176.000 0.189 0.000 1.089 64 Q CA -0.364 55.538 55.803 0.165 0.000 0.901 64 Q CB 1.216 29.998 28.738 0.073 0.000 1.208 64 Q HN 0.763 9.033 8.270 -0.000 0.000 0.529 65 A N 0.891 123.872 122.820 0.268 0.000 2.413 65 A HA 0.972 5.292 4.320 0.000 0.000 0.307 65 A C -0.246 177.575 177.584 0.394 0.000 1.087 65 A CA -0.388 51.827 52.037 0.298 0.000 0.750 65 A CB 1.911 20.942 19.000 0.052 0.000 1.296 65 A HN 0.551 8.701 8.150 -0.000 0.000 0.423 66 G N -0.718 108.371 108.800 0.482 0.000 2.642 66 G HA2 0.665 4.625 3.960 0.000 0.000 0.293 66 G HA3 0.665 4.625 3.960 0.000 0.000 0.293 66 G C -1.013 173.998 174.900 0.186 0.000 1.341 66 G CA -0.000 45.251 45.100 0.253 0.000 0.916 66 G HN 1.362 9.652 8.290 -0.000 0.000 0.474 67 S N -1.775 113.847 115.700 -0.131 0.000 2.550 67 S HA 0.632 5.103 4.470 0.000 0.000 0.270 67 S C 0.462 174.438 174.600 -1.040 0.000 1.145 67 S CA 0.280 58.121 58.200 -0.599 0.000 0.852 67 S CB 1.546 64.550 63.200 -0.327 0.000 1.119 67 S HN 1.448 9.758 8.310 -0.000 0.000 0.465 68 G N 1.060 108.523 108.800 -2.228 0.000 3.393 68 G HA2 0.465 4.425 3.960 0.000 0.000 0.255 68 G HA3 0.465 4.425 3.960 0.000 0.000 0.255 68 G C 0.054 174.490 174.900 -0.774 0.000 1.097 68 G CA 0.434 44.595 45.100 -1.566 0.000 0.780 68 G HN 1.225 9.515 8.290 -0.000 0.000 0.540 69 V N -3.774 115.768 119.914 -0.619 0.000 3.160 69 V HA 0.786 4.906 4.120 0.000 0.000 0.310 69 V C -0.382 175.619 176.094 -0.156 0.000 1.181 69 V CA -0.885 61.283 62.300 -0.219 0.000 1.047 69 V CB 1.406 33.228 31.823 -0.002 0.000 1.068 69 V HN -0.111 8.079 8.190 -0.000 0.000 0.441 70 T N 1.557 116.069 114.554 -0.071 0.000 2.882 70 T HA 0.661 5.011 4.350 0.000 0.000 0.287 70 T C 0.879 175.577 174.700 -0.003 0.000 0.992 70 T CA 0.820 62.896 62.100 -0.040 0.000 1.076 70 T CB 0.865 69.716 68.868 -0.028 0.000 0.961 70 T HN 2.244 10.484 8.240 -0.000 0.000 0.490 71 G N 1.777 110.581 108.800 0.008 0.000 2.134 71 G HA2 -0.069 3.892 3.960 0.000 0.000 0.209 71 G HA3 -0.069 3.892 3.960 0.000 0.000 0.209 71 G C 0.289 175.219 174.900 0.050 0.000 0.993 71 G CA -0.394 44.722 45.100 0.026 0.000 0.669 71 G HN 1.087 9.377 8.290 -0.000 0.000 0.519 72 G N -0.348 108.497 108.800 0.076 0.000 2.332 72 G HA2 0.653 4.613 3.960 0.000 0.000 0.310 72 G HA3 0.653 4.613 3.960 0.000 0.000 0.310 72 G C -0.320 174.693 174.900 0.189 0.000 1.123 72 G CA 0.456 45.667 45.100 0.186 0.000 0.873 72 G HN 0.809 9.099 8.290 -0.000 0.000 0.460 73 S N 0.557 116.403 115.700 0.243 0.000 2.540 73 S HA 0.458 4.929 4.470 0.000 0.000 0.275 73 S C -0.480 174.165 174.600 0.074 0.000 1.123 73 S CA -0.443 57.805 58.200 0.080 0.000 0.907 73 S CB 1.459 64.687 63.200 0.048 0.000 1.081 73 S HN 0.526 8.836 8.310 -0.000 0.000 0.476 74 I N 2.448 122.834 120.570 -0.307 0.000 2.315 74 I HA 0.313 4.483 4.170 0.000 0.000 0.291 74 I C 0.336 176.372 176.117 -0.136 0.000 1.006 74 I CA -0.280 60.730 61.300 -0.482 0.000 1.265 74 I CB 1.028 38.253 38.000 -1.291 0.000 1.387 74 I HN 0.602 8.812 8.210 -0.000 0.000 0.475 75 E N 7.213 127.433 120.200 0.034 0.000 2.146 75 E HA 0.302 4.652 4.350 0.000 0.000 0.282 75 E C -1.319 175.375 176.600 0.157 0.000 0.989 75 E CA -0.510 55.968 56.400 0.130 0.000 0.799 75 E CB 1.116 30.940 29.700 0.207 0.000 1.088 75 E HN 0.481 8.841 8.360 -0.000 0.000 0.397 79 N N 3.273 121.934 118.700 -0.065 0.000 2.420 79 N HA 0.296 5.036 4.740 0.000 0.000 0.262 79 N C -0.746 174.662 175.510 -0.169 0.000 1.144 79 N CA 0.181 52.933 53.050 -0.496 0.000 0.952 79 N CB 0.910 38.766 38.487 -1.053 0.000 1.081 79 N HN 0.818 9.198 8.380 -0.000 0.000 0.480 80 E N 2.425 122.553 120.200 -0.121 0.000 2.275 80 E HA 0.182 4.532 4.350 0.000 0.000 0.270 80 E C -0.636 175.933 176.600 -0.053 0.000 0.882 80 E CA -0.682 55.703 56.400 -0.026 0.000 0.758 80 E CB 1.033 30.759 29.700 0.042 0.000 1.195 80 E HN 0.564 8.924 8.360 -0.000 0.000 0.419 81 N N 1.624 120.300 118.700 -0.040 0.000 2.725 81 N HA -0.275 4.466 4.740 0.000 0.000 0.249 81 N C 0.688 176.154 175.510 -0.074 0.000 1.103 81 N CA 0.492 53.517 53.050 -0.041 0.000 0.707 81 N CB -0.802 37.674 38.487 -0.018 0.000 1.043 81 N HN 0.971 9.351 8.380 -0.000 0.000 0.553 82 G N -1.792 106.936 108.800 -0.120 0.000 2.179 82 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 82 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 82 G C 0.031 174.794 174.900 -0.227 0.000 0.977 82 G CA 0.540 45.544 45.100 -0.160 0.000 0.641 82 G HN 0.731 9.021 8.290 -0.000 0.000 0.533 83 S N -1.307 114.257 115.700 -0.227 0.000 2.599 83 S HA 0.639 5.109 4.470 0.000 0.000 0.287 83 S C -0.689 173.750 174.600 -0.269 0.000 1.105 83 S CA -0.710 57.356 58.200 -0.223 0.000 0.899 83 S CB 0.760 63.915 63.200 -0.075 0.000 1.100 83 S HN 0.422 8.732 8.310 -0.000 0.000 0.482 84 W N 2.384 123.659 121.300 -0.041 0.000 2.308 84 W HA 0.495 5.155 4.660 -0.000 0.000 0.324 84 W C 0.428 176.938 176.519 -0.015 0.000 1.387 84 W CA -0.366 56.953 57.345 -0.042 0.000 1.250 84 W CB 0.384 29.786 29.460 -0.097 0.000 1.257 84 W HN 0.706 8.886 8.180 -0.000 0.000 0.554 85 A N 3.500 126.483 122.820 0.272 0.000 2.287 85 A HA 0.473 4.793 4.320 0.000 0.000 0.317 85 A C -0.202 177.510 177.584 0.214 0.000 1.220 85 A CA -0.610 51.541 52.037 0.190 0.000 0.835 85 A CB 0.995 20.078 19.000 0.138 0.000 1.180 85 A HN 0.432 8.582 8.150 -0.000 0.000 0.500 86 S N 1.641 117.442 115.700 0.167 0.000 2.531 86 S HA 0.263 4.733 4.470 0.000 0.000 0.279 86 S C 0.845 175.546 174.600 0.168 0.000 1.305 86 S CA -0.243 58.055 58.200 0.162 0.000 1.058 86 S CB 0.308 63.582 63.200 0.123 0.000 0.899 86 S HN 0.639 8.949 8.310 -0.000 0.000 0.493 87 K N 2.224 122.752 120.400 0.214 0.000 2.273 87 K HA 0.199 4.519 4.320 0.000 0.000 0.206 87 K C 0.713 177.390 176.600 0.128 0.000 1.072 87 K CA 0.809 57.209 56.287 0.188 0.000 0.953 87 K CB -0.367 32.290 32.500 0.263 0.000 1.043 87 K HN 0.801 9.051 8.250 -0.000 0.000 0.477 88 T N -1.581 113.067 114.554 0.158 0.000 2.894 88 T HA 0.622 4.972 4.350 0.000 0.000 0.309 88 T C -0.915 173.864 174.700 0.133 0.000 1.208 88 T CA -0.804 61.358 62.100 0.104 0.000 1.016 88 T CB 2.067 70.956 68.868 0.036 0.000 1.192 88 T HN -0.200 8.040 8.240 -0.000 0.000 0.491 89 V N 2.140 122.108 119.914 0.090 0.000 2.525 89 V HA 0.645 4.766 4.120 0.000 0.000 0.299 89 V C -0.407 175.714 176.094 0.046 0.000 1.034 89 V CA -0.642 61.702 62.300 0.074 0.000 0.863 89 V CB 1.914 33.779 31.823 0.070 0.000 0.999 89 V HN 1.169 9.359 8.190 -0.000 0.000 0.423 90 T N 3.999 118.562 114.554 0.015 0.000 2.847 90 T HA 0.632 4.982 4.350 0.000 0.000 0.291 90 T C 0.233 174.902 174.700 -0.052 0.000 0.998 90 T CA -0.269 61.833 62.100 0.003 0.000 0.967 90 T CB 1.557 70.465 68.868 0.067 0.000 0.954 90 T HN 0.939 9.179 8.240 -0.000 0.000 0.441 91 A N 3.243 126.052 122.820 -0.018 0.000 2.511 91 A HA 0.468 4.788 4.320 0.000 0.000 0.242 91 A C 0.290 177.852 177.584 -0.038 0.000 1.069 91 A CA -0.223 51.804 52.037 -0.018 0.000 0.763 91 A CB 0.039 19.038 19.000 -0.001 0.000 1.001 91 A HN 0.702 8.852 8.150 -0.000 0.000 0.498 92 V N 5.684 125.577 119.914 -0.036 0.000 2.370 92 V HA 0.291 4.411 4.120 0.000 0.000 0.279 92 V C -2.084 173.992 176.094 -0.029 0.000 1.029 92 V CA -1.356 60.919 62.300 -0.041 0.000 0.870 92 V CB 1.171 32.978 31.823 -0.027 0.000 0.984 92 V HN 0.818 9.008 8.190 -0.000 0.000 0.451 93 P HA 0.089 4.509 4.420 -0.000 0.000 0.268 93 P C -0.394 176.856 177.300 -0.083 0.000 1.205 93 P CA -0.209 62.865 63.100 -0.044 0.000 0.771 93 P CB 0.329 32.012 31.700 -0.028 0.000 0.858 94 N N 2.745 121.380 118.700 -0.108 0.000 2.448 94 N HA 0.031 4.771 4.740 0.000 0.000 0.250 94 N C -0.151 175.265 175.510 -0.156 0.000 1.136 94 N CA 0.319 53.263 53.050 -0.177 0.000 0.953 94 N CB -0.118 38.268 38.487 -0.168 0.000 1.251 94 N HN 0.331 8.711 8.380 -0.000 0.000 0.502 95 Q N 1.720 121.418 119.800 -0.171 0.000 2.023 95 Q HA 0.317 4.657 4.340 0.000 0.000 0.211 95 Q C -0.361 175.550 176.000 -0.148 0.000 0.787 95 Q CA -0.422 55.304 55.803 -0.127 0.000 1.035 95 Q CB 1.030 29.720 28.738 -0.080 0.000 1.221 95 Q HN 0.684 8.954 8.270 -0.000 0.000 0.443 96 G N -0.194 108.467 108.800 -0.231 0.000 3.014 96 G HA2 -0.147 3.813 3.960 0.000 0.000 0.683 96 G HA3 -0.147 3.813 3.960 0.000 0.000 0.683 96 G C -0.559 174.219 174.900 -0.203 0.000 1.271 96 G CA -0.994 43.980 45.100 -0.210 0.000 0.843 96 G HN 0.272 8.562 8.290 -0.000 0.000 0.612 97 W N 0.196 121.447 121.300 -0.083 0.000 2.342 97 W HA 0.009 4.669 4.660 -0.000 0.000 0.297 97 W C 1.839 178.297 176.519 -0.102 0.000 1.213 97 W CA 1.443 58.751 57.345 -0.062 0.000 1.251 97 W CB 0.192 29.588 29.460 -0.106 0.000 1.136 97 W HN 0.571 8.751 8.180 -0.000 0.000 0.526 98 D N -1.147 119.267 120.400 0.023 0.000 2.349 98 D HA -0.036 4.605 4.640 0.000 0.000 0.214 98 D C 0.126 175.988 176.300 -0.731 0.000 1.063 98 D CA 0.477 54.288 54.000 -0.314 0.000 0.847 98 D CB -0.498 40.272 40.800 -0.050 0.000 0.933 98 D HN 0.022 8.392 8.370 -0.000 0.000 0.513 99 N N 1.208 119.638 118.700 -0.450 0.000 3.034 99 N HA 0.010 4.750 4.740 0.000 0.000 0.265 99 N C -1.104 174.253 175.510 -0.254 0.000 1.166 99 N CA -0.364 52.500 53.050 -0.310 0.000 1.081 99 N CB -0.540 37.858 38.487 -0.148 0.000 1.378 99 N HN -0.233 8.147 8.380 -0.000 0.000 0.520 100 F N 1.244 121.249 119.950 0.090 0.000 2.504 100 F HA 0.304 4.831 4.527 0.000 0.000 0.369 100 F C 0.932 176.771 175.800 0.065 0.000 1.082 100 F CA -0.166 57.889 58.000 0.092 0.000 1.216 100 F CB 0.510 39.572 39.000 0.104 0.000 1.108 100 F HN 0.138 8.438 8.300 -0.000 0.000 0.554 101 Q N 3.800 123.742 119.800 0.236 0.000 2.397 101 Q HA 0.421 4.761 4.340 0.000 0.000 0.275 101 Q C -2.700 173.382 176.000 0.137 0.000 1.090 101 Q CA -2.488 53.398 55.803 0.139 0.000 0.809 101 Q CB 2.213 30.999 28.738 0.080 0.000 1.362 101 Q HN 0.243 8.513 8.270 -0.000 0.000 0.431 102 P HA 0.160 4.580 4.420 -0.000 0.000 0.268 102 P C -0.883 176.466 177.300 0.082 0.000 1.204 102 P CA -0.258 62.894 63.100 0.086 0.000 0.768 102 P CB 0.402 32.133 31.700 0.052 0.000 0.842 103 L N 3.196 124.481 121.223 0.104 0.000 2.439 103 L HA 0.426 4.766 4.340 0.000 0.000 0.270 103 L C -0.722 176.201 176.870 0.088 0.000 0.972 103 L CA -0.580 54.328 54.840 0.112 0.000 0.836 103 L CB 1.464 43.622 42.059 0.165 0.000 1.255 103 L HN 0.222 8.452 8.230 -0.000 0.000 0.404 104 N N 3.047 121.768 118.700 0.035 0.000 2.470 104 N HA 0.220 4.960 4.740 0.000 0.000 0.268 104 N C 0.445 175.947 175.510 -0.013 0.000 1.136 104 N CA 0.601 53.636 53.050 -0.026 0.000 0.961 104 N CB 1.657 40.128 38.487 -0.027 0.000 1.067 104 N HN 0.929 9.309 8.380 -0.000 0.000 0.468 105 G N 1.828 110.544 108.800 -0.140 0.000 3.523 105 G HA2 0.409 4.369 3.960 0.000 0.000 0.270 105 G HA3 0.409 4.369 3.960 0.000 0.000 0.270 105 G C 0.771 175.595 174.900 -0.126 0.000 1.134 105 G CA 0.267 45.322 45.100 -0.076 0.000 0.825 105 G HN 0.987 9.277 8.290 -0.000 0.000 0.534 106 G N 0.149 108.883 108.800 -0.111 0.000 2.553 106 G HA2 0.115 4.075 3.960 0.000 0.000 0.242 106 G HA3 0.115 4.075 3.960 0.000 0.000 0.242 106 G C 0.142 174.950 174.900 -0.153 0.000 1.277 106 G CA 0.328 45.367 45.100 -0.103 0.000 0.910 106 G HN 1.747 10.037 8.290 -0.000 0.000 0.576 107 S N -2.090 113.530 115.700 -0.132 0.000 2.569 107 S HA 0.796 5.266 4.470 0.000 0.000 0.280 107 S C -0.914 173.612 174.600 -0.123 0.000 1.111 107 S CA 0.166 58.287 58.200 -0.131 0.000 0.887 107 S CB 2.176 65.335 63.200 -0.068 0.000 1.095 107 S HN 2.291 10.601 8.310 -0.000 0.000 0.476 108 V N 2.246 122.094 119.914 -0.110 0.000 2.760 108 V HA 0.584 4.704 4.120 0.000 0.000 0.309 108 V C -1.875 174.258 176.094 0.065 0.000 1.077 108 V CA -0.836 61.438 62.300 -0.044 0.000 0.910 108 V CB 1.832 33.558 31.823 -0.162 0.000 1.008 108 V HN 1.007 9.197 8.190 -0.000 0.000 0.424 109 Y N 6.705 127.018 120.300 0.022 0.000 2.393 109 Y HA 0.628 5.178 4.550 0.000 0.000 0.338 109 Y C -0.508 175.417 175.900 0.042 0.000 1.029 109 Y CA -0.168 57.964 58.100 0.052 0.000 1.239 109 Y CB 0.879 39.360 38.460 0.034 0.000 1.170 109 Y HN 0.596 8.876 8.280 -0.000 0.000 0.515 110 L N 6.783 127.679 121.223 -0.545 0.000 2.349 110 L HA 0.404 4.744 4.340 0.000 0.000 0.278 110 L C 0.044 176.672 176.870 -0.404 0.000 0.996 110 L CA -0.897 53.673 54.840 -0.451 0.000 0.825 110 L CB 1.683 43.494 42.059 -0.412 0.000 1.243 110 L HN 0.700 8.930 8.230 -0.000 0.000 0.412 111 S N 2.009 117.698 115.700 -0.019 0.000 2.584 111 S HA 0.547 5.017 4.470 0.000 0.000 0.270 111 S C 0.389 175.123 174.600 0.223 0.000 1.346 111 S CA -0.712 57.592 58.200 0.174 0.000 1.018 111 S CB 1.299 64.678 63.200 0.298 0.000 0.899 111 S HN 0.673 8.983 8.310 -0.000 0.000 0.542 112 A N 1.467 124.370 122.820 0.137 0.000 2.511 112 A HA 0.627 4.947 4.320 0.000 0.000 0.242 112 A C 1.102 178.717 177.584 0.051 0.000 1.069 112 A CA 0.380 52.475 52.037 0.098 0.000 0.763 112 A CB -1.005 18.038 19.000 0.071 0.000 1.001 112 A HN 2.221 10.371 8.150 -0.000 0.000 0.498 113 G N 0.384 109.185 108.800 0.003 0.000 2.270 113 G HA2 0.344 4.304 3.960 0.000 0.000 0.268 113 G HA3 0.344 4.304 3.960 0.000 0.000 0.268 113 G C -0.497 174.302 174.900 -0.169 0.000 1.312 113 G CA -0.159 44.883 45.100 -0.098 0.000 1.050 113 G HN 1.148 9.438 8.290 -0.000 0.000 0.474 114 T N 0.787 115.175 114.554 -0.275 0.000 2.823 114 T HA 0.736 5.086 4.350 0.000 0.000 0.279 114 T C -0.844 173.618 174.700 -0.395 0.000 0.998 114 T CA -0.176 61.800 62.100 -0.207 0.000 0.994 114 T CB 1.271 70.079 68.868 -0.100 0.000 0.960 114 T HN 0.629 8.869 8.240 -0.000 0.000 0.448 115 H N 1.013 120.106 119.070 0.039 0.000 2.637 115 H HA 0.447 5.003 4.556 0.000 0.000 0.363 115 H C -0.473 174.913 175.328 0.097 0.000 1.131 115 H CA -1.020 55.062 56.048 0.057 0.000 1.183 115 H CB 1.234 31.042 29.762 0.076 0.000 1.637 115 H HN 0.240 8.520 8.280 -0.000 0.000 0.531 116 Q N 1.847 121.771 119.800 0.206 0.000 2.257 116 Q HA 0.413 4.753 4.340 0.000 0.000 0.255 116 Q C -0.644 175.596 176.000 0.400 0.000 0.920 116 Q CA -0.615 55.342 55.803 0.255 0.000 0.927 116 Q CB 2.451 31.263 28.738 0.122 0.000 1.229 116 Q HN 0.318 8.588 8.270 -0.000 0.000 0.433 117 V N 2.775 122.947 119.914 0.430 0.000 2.604 117 V HA 0.519 4.639 4.120 0.000 0.000 0.305 117 V C -0.203 175.983 176.094 0.153 0.000 1.043 117 V CA -0.838 61.608 62.300 0.244 0.000 0.888 117 V CB 2.355 34.207 31.823 0.048 0.000 0.995 117 V HN 0.654 8.844 8.190 -0.000 0.000 0.429 118 R N 4.421 124.785 120.500 -0.227 0.000 2.534 118 R HA 0.699 5.039 4.340 0.000 0.000 0.301 118 R C -1.758 174.356 176.300 -0.310 0.000 0.961 118 R CA -0.662 55.167 56.100 -0.451 0.000 0.871 118 R CB 1.374 30.878 30.300 -1.327 0.000 1.170 118 R HN 0.697 8.967 8.270 -0.000 0.000 0.446 119 L N 4.520 125.716 121.223 -0.045 0.000 2.287 119 L HA 0.409 4.749 4.340 0.000 0.000 0.287 119 L C -0.661 176.373 176.870 0.273 0.000 1.022 119 L CA -0.936 53.933 54.840 0.048 0.000 0.814 119 L CB 1.393 43.520 42.059 0.114 0.000 1.217 119 L HN 0.706 8.936 8.230 -0.000 0.000 0.420 120 H N 2.107 121.269 119.070 0.153 0.000 2.572 120 H HA 0.504 5.060 4.556 0.000 0.000 0.359 120 H C 0.009 175.530 175.328 0.320 0.000 1.134 120 H CA -0.526 55.632 56.048 0.184 0.000 1.187 120 H CB 2.149 31.920 29.762 0.015 0.000 1.597 120 H HN 0.586 8.866 8.280 -0.000 0.000 0.524 121 G N 2.707 111.396 108.800 -0.186 0.000 2.605 121 G HA2 0.418 4.378 3.960 0.000 0.000 0.301 121 G HA3 0.418 4.378 3.960 0.000 0.000 0.301 121 G C 0.439 175.033 174.900 -0.510 0.000 0.881 121 G CA 0.117 45.090 45.100 -0.210 0.000 1.553 121 G HN 0.846 9.136 8.290 -0.000 0.000 0.483 122 A N 2.420 125.079 122.820 -0.268 0.000 2.267 122 A HA 0.551 4.872 4.320 0.000 0.000 0.213 122 A C 1.590 179.139 177.584 -0.059 0.000 1.192 122 A CA 0.652 52.554 52.037 -0.226 0.000 0.851 122 A CB 0.143 19.127 19.000 -0.026 0.000 0.881 122 A HN 0.780 8.930 8.150 -0.000 0.000 0.494 123 G N -0.711 108.078 108.800 -0.020 0.000 2.588 123 G HA2 0.338 4.298 3.960 0.000 0.000 0.278 123 G HA3 0.338 4.298 3.960 0.000 0.000 0.278 123 G C 1.113 176.005 174.900 -0.012 0.000 1.307 123 G CA 0.521 45.628 45.100 0.010 0.000 1.016 123 G HN 0.575 8.865 8.290 -0.000 0.000 0.503 124 S N -1.218 114.484 115.700 0.004 0.000 2.478 124 S HA 0.032 4.502 4.470 0.000 0.000 0.222 124 S C 0.983 175.581 174.600 -0.003 0.000 1.008 124 S CA -0.090 58.112 58.200 0.003 0.000 0.928 124 S CB -0.179 63.031 63.200 0.015 0.000 0.781 124 S HN 0.497 8.807 8.310 -0.000 0.000 0.518 125 N N 2.204 120.905 118.700 0.002 0.000 2.518 125 N HA 0.156 4.896 4.740 0.000 0.000 0.266 125 N C 0.242 175.711 175.510 -0.070 0.000 1.196 125 N CA -0.061 52.998 53.050 0.015 0.000 0.947 125 N CB 0.594 39.122 38.487 0.068 0.000 1.098 125 N HN 0.121 8.501 8.380 -0.000 0.000 0.450 126 N N 1.720 120.368 118.700 -0.087 0.000 2.184 126 N HA -0.168 4.572 4.740 0.000 0.000 0.190 126 N C -0.418 174.600 175.510 -0.820 0.000 1.011 126 N CA 1.267 54.071 53.050 -0.410 0.000 0.867 126 N CB -0.048 38.255 38.487 -0.307 0.000 0.993 126 N HN 0.521 8.901 8.380 -0.000 0.000 0.433 127 W N 0.201 121.351 121.300 -0.250 0.000 2.573 127 W HA 0.408 5.068 4.660 0.001 0.000 0.326 127 W C 1.240 177.747 176.519 -0.021 0.000 1.049 127 W CA -0.792 56.439 57.345 -0.191 0.000 1.220 127 W CB 1.298 30.742 29.460 -0.026 0.000 1.373 127 W HN -0.191 7.989 8.180 -0.000 0.000 0.507 128 Q N 1.866 121.719 119.800 0.088 0.000 2.527 128 Q HA 0.272 4.612 4.340 0.000 0.000 0.194 128 Q C -0.099 176.036 176.000 0.225 0.000 0.963 128 Q CA 0.964 56.730 55.803 -0.061 0.000 0.861 128 Q CB 0.813 29.172 28.738 -0.631 0.000 1.051 128 Q HN 0.652 8.922 8.270 -0.000 0.000 0.605 129 W N -0.190 121.340 121.300 0.383 0.000 3.161 129 W HA 0.479 5.139 4.660 0.000 0.000 0.314 129 W C -1.383 175.397 176.519 0.435 0.000 1.245 129 W CA -0.821 56.752 57.345 0.380 0.000 1.191 129 W CB -0.033 29.497 29.460 0.117 0.000 1.392 129 W HN -0.092 8.088 8.180 -0.000 0.000 0.568 130 N N 1.302 120.506 118.700 0.840 0.000 2.430 130 N HA 0.727 5.467 4.740 0.000 0.000 0.298 130 N C -1.524 174.427 175.510 0.735 0.000 1.130 130 N CA -0.651 52.853 53.050 0.756 0.000 0.894 130 N CB 2.130 41.129 38.487 0.855 0.000 1.209 130 N HN 0.470 8.850 8.380 -0.000 0.000 0.503 131 L N 1.154 122.700 121.223 0.538 0.000 2.476 131 L HA 0.339 4.679 4.340 0.000 0.000 0.269 131 L C 0.434 177.295 176.870 -0.015 0.000 0.965 131 L CA -0.348 54.656 54.840 0.274 0.000 0.845 131 L CB 1.789 44.078 42.059 0.382 0.000 1.259 131 L HN 0.475 8.705 8.230 -0.000 0.000 0.403 132 D N 3.036 123.205 120.400 -0.384 0.000 2.144 132 D HA 0.051 4.692 4.640 0.000 0.000 0.207 132 D C 0.020 176.250 176.300 -0.115 0.000 0.970 132 D CA 1.448 55.173 54.000 -0.457 0.000 0.853 132 D CB 0.544 40.887 40.800 -0.762 0.000 1.007 132 D HN 0.667 9.037 8.370 -0.000 0.000 0.469 133 K N -1.831 118.555 120.400 -0.023 0.000 2.617 133 K HA 0.398 4.718 4.320 0.000 0.000 0.293 133 K C -1.450 175.257 176.600 0.178 0.000 1.034 133 K CA -0.989 55.314 56.287 0.025 0.000 0.884 133 K CB 0.984 33.441 32.500 -0.072 0.000 1.541 133 K HN 0.030 8.280 8.250 -0.000 0.000 0.409 134 F N -1.485 118.441 119.950 -0.040 0.000 2.613 134 F HA 0.733 5.260 4.527 0.000 0.000 0.314 134 F C -1.355 174.400 175.800 -0.075 0.000 1.075 134 F CA -0.751 57.225 58.000 -0.039 0.000 0.945 134 F CB 2.397 41.404 39.000 0.012 0.000 1.310 134 F HN 0.440 8.740 8.300 -0.000 0.000 0.467 135 T N 3.046 117.626 114.554 0.044 0.000 2.876 135 T HA 0.629 4.979 4.350 0.000 0.000 0.289 135 T C -0.905 173.811 174.700 0.027 0.000 1.014 135 T CA -0.611 61.467 62.100 -0.037 0.000 0.986 135 T CB 1.738 70.583 68.868 -0.039 0.000 1.021 135 T HN 0.617 8.857 8.240 -0.000 0.000 0.458 136 L N 2.392 123.631 121.223 0.026 0.000 2.305 136 L HA 0.637 4.977 4.340 0.000 0.000 0.284 136 L C -0.189 176.800 176.870 0.198 0.000 1.013 136 L CA -0.606 54.282 54.840 0.082 0.000 0.819 136 L CB 1.676 43.727 42.059 -0.012 0.000 1.227 136 L HN 0.595 8.825 8.230 -0.000 0.000 0.417 137 S N 3.000 118.828 115.700 0.213 0.000 2.647 137 S HA 0.766 5.236 4.470 0.000 0.000 0.300 137 S C -0.927 173.650 174.600 -0.040 0.000 1.129 137 S CA -0.769 57.507 58.200 0.127 0.000 1.029 137 S CB 1.600 64.813 63.200 0.022 0.000 1.007 137 S HN 0.768 9.079 8.310 -0.000 0.000 0.484 138 N N 0.000 118.572 118.700 -0.213 0.000 1.763 138 N HA 0.000 4.740 4.740 0.000 0.000 0.220 138 N CA 0.000 52.794 53.050 -0.426 0.000 0.885 138 N CB 0.000 38.283 38.487 -0.341 0.000 1.341 138 N HN 0.000 8.380 8.380 -0.000 0.000 0.667