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 1rh8_1_A DATA FIRST_RESID 4635 DATA SEQUENCE ASHPITGEIQ LQINYDLGNL IIHILQARNL VPRDNNGYSD PFVKVYLLPG DATA SEQUENCE RGQVMVVQNA SAEYKRRTKY VQKSLNPEWN QTVIYKSISM EQLMKKTLEV DATA SEQUENCE TVWDYDRFSS NDFLGEVLID LSSTSHLDNT PRWYPLKEQT ES 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 4635 A HA 0.000 4.337 4.320 0.028 0.000 0.244 4635 A C 0.000 177.614 177.584 0.050 0.000 1.274 4635 A CA 0.000 52.061 52.037 0.040 0.000 0.836 4635 A CB 0.000 19.026 19.000 0.044 0.000 0.831 4636 S N -0.361 115.364 115.700 0.042 0.000 2.595 4636 S HA 0.183 4.656 4.470 0.004 0.000 0.281 4636 S C -1.411 173.216 174.600 0.046 0.000 1.117 4636 S CA -0.258 57.945 58.200 0.004 0.000 0.873 4636 S CB 1.096 64.268 63.200 -0.048 0.000 1.108 4636 S HN 0.216 8.550 8.310 0.039 0.000 0.477 4637 H N 1.264 120.345 119.070 0.019 0.000 2.800 4637 H HA 0.409 4.969 4.556 0.007 0.000 0.322 4637 H C -1.951 173.383 175.328 0.010 0.000 0.979 4637 H CA -2.702 53.353 56.048 0.011 0.000 1.277 4637 H CB 0.137 29.905 29.762 0.009 0.000 1.484 4637 H HN 0.101 8.085 8.280 -0.493 0.000 0.512 4638 P HA 0.102 4.507 4.420 -0.026 0.000 0.278 4638 P C -1.064 176.265 177.300 0.047 0.000 1.238 4638 P CA -0.997 62.110 63.100 0.011 0.000 0.794 4638 P CB 1.169 32.876 31.700 0.011 0.000 0.955 4639 I N 1.821 122.417 120.570 0.044 0.000 2.337 4639 I HA 0.061 4.222 4.170 -0.016 0.000 0.291 4639 I C 0.214 176.339 176.117 0.014 0.000 1.046 4639 I CA -1.029 60.288 61.300 0.028 0.000 1.324 4639 I CB -1.818 36.251 38.000 0.115 0.000 1.409 4639 I HN 0.127 8.362 8.210 0.042 0.000 0.494 4640 T N 3.132 117.679 114.554 -0.012 0.000 2.778 4640 T HA 0.237 4.593 4.350 0.010 0.000 0.293 4640 T C -0.924 173.771 174.700 -0.008 0.000 1.144 4640 T CA -1.624 60.475 62.100 -0.002 0.000 1.010 4640 T CB 2.785 71.652 68.868 -0.001 0.000 1.325 4640 T HN -0.279 7.940 8.240 -0.034 0.000 0.515 4641 G N -1.188 107.613 108.800 0.001 0.000 2.710 4641 G HA2 -0.298 3.644 3.960 -0.013 0.000 0.668 4641 G HA3 -0.298 3.680 3.960 0.014 -0.009 0.668 4641 G C -2.045 172.890 174.900 0.058 0.000 1.320 4641 G CA -0.305 44.802 45.100 0.012 0.000 0.860 4641 G HN 0.052 8.341 8.290 -0.001 0.000 0.538 4642 E N -2.081 118.188 120.200 0.116 0.000 2.440 4642 E HA 0.629 5.145 4.350 0.201 -0.046 0.263 4642 E C -1.869 174.977 176.600 0.410 0.000 0.938 4642 E CA -1.855 54.689 56.400 0.240 0.000 0.831 4642 E CB 5.105 34.950 29.700 0.241 0.000 1.456 4642 E HN 0.350 8.664 8.360 0.095 0.103 0.427 4643 I N -1.089 119.784 120.570 0.505 0.000 2.686 4643 I HA 0.335 4.942 4.170 0.507 -0.132 0.295 4643 I C -2.713 173.610 176.117 0.344 0.000 1.114 4643 I CA -1.643 59.935 61.300 0.463 0.000 1.038 4643 I CB 4.673 42.861 38.000 0.313 0.000 1.238 4643 I HN 0.812 9.200 8.210 0.489 0.116 0.420 4644 Q N 7.774 127.519 119.800 -0.092 0.000 2.322 4644 Q HA 0.680 4.914 4.340 -0.506 -0.198 0.265 4644 Q C -1.819 174.111 176.000 -0.117 0.000 0.985 4644 Q CA -1.433 54.025 55.803 -0.576 0.000 0.849 4644 Q CB 2.700 30.433 28.738 -1.674 0.000 1.274 4644 Q HN 0.911 9.090 8.270 0.040 0.115 0.449 4645 L N 2.447 123.709 121.223 0.065 0.000 2.491 4645 L HA 0.601 5.045 4.340 0.059 -0.069 0.254 4645 L C -2.263 174.672 176.870 0.109 0.000 1.048 4645 L CA -0.616 54.287 54.840 0.106 0.000 0.855 4645 L CB 4.193 46.299 42.059 0.078 0.000 1.466 4645 L HN 0.339 8.674 8.230 0.175 0.000 0.409 4646 Q N -0.425 119.429 119.800 0.089 0.000 2.310 4646 Q HA 0.447 4.814 4.340 0.045 0.000 0.270 4646 Q C -1.719 174.363 176.000 0.138 0.000 1.025 4646 Q CA -1.150 54.678 55.803 0.042 0.000 0.772 4646 Q CB 3.554 32.209 28.738 -0.139 0.000 1.253 4646 Q HN 0.533 8.763 8.270 0.121 0.112 0.450 4647 I N 4.327 124.991 120.570 0.158 0.000 2.498 4647 I HA 0.586 5.001 4.170 0.198 -0.126 0.301 4647 I C -1.332 174.883 176.117 0.163 0.000 0.984 4647 I CA -2.732 58.677 61.300 0.181 0.000 1.204 4647 I CB 1.250 39.360 38.000 0.183 0.000 1.362 4647 I HN 0.005 8.318 8.210 0.171 0.000 0.471 4648 N N 3.032 121.843 118.700 0.185 0.000 2.666 4648 N HA 0.257 5.265 4.740 0.163 -0.170 0.260 4648 N C -2.538 173.091 175.510 0.198 0.000 1.077 4648 N CA 0.356 53.508 53.050 0.170 0.000 1.026 4648 N CB 3.718 42.284 38.487 0.132 0.000 1.653 4648 N HN 0.678 9.175 8.380 0.196 0.000 0.533 4649 Y N 6.931 127.269 120.300 0.064 0.000 2.364 4649 Y HA 0.711 5.441 4.550 0.053 -0.148 0.340 4649 Y C -2.272 173.653 175.900 0.042 0.000 0.975 4649 Y CA -1.379 56.753 58.100 0.054 0.000 1.089 4649 Y CB 2.804 41.296 38.460 0.054 0.000 1.192 4649 Y HN 0.257 8.712 8.280 0.292 0.000 0.454 4650 D N 4.994 124.988 120.400 -0.677 0.000 2.655 4650 D HA 0.276 4.522 4.640 -0.656 0.000 0.229 4650 D C -0.349 175.624 176.300 -0.545 0.000 1.229 4650 D CA -0.370 53.280 54.000 -0.583 0.000 0.807 4650 D CB 3.829 44.498 40.800 -0.219 0.000 1.514 4650 D HN 0.785 8.751 8.370 -0.515 0.096 0.444 4651 L N -2.107 118.890 121.223 -0.378 0.000 3.737 4651 L HA -0.373 3.881 4.340 -0.143 0.000 0.418 4651 L C -0.566 176.183 176.870 -0.202 0.000 1.216 4651 L CA 1.052 55.765 54.840 -0.212 0.000 0.915 4651 L CB -1.995 39.986 42.059 -0.131 0.000 1.834 4651 L HN 0.594 8.632 8.230 -0.319 0.000 0.943 4652 G N -6.498 102.112 108.800 -0.316 0.000 2.166 4652 G HA2 -0.442 3.723 3.960 0.341 0.000 0.260 4652 G HA3 -0.442 3.562 3.960 0.074 0.000 0.260 4652 G C -1.366 173.572 174.900 0.063 0.000 0.986 4652 G CA 0.521 45.630 45.100 0.016 0.000 0.683 4652 G HN 0.441 8.365 8.290 -0.584 0.016 0.527 4653 N N -1.141 117.461 118.700 -0.164 0.000 2.342 4653 N HA 0.392 5.355 4.740 0.115 -0.154 0.293 4653 N C -2.044 173.505 175.510 0.064 0.000 1.026 4653 N CA -1.660 51.390 53.050 -0.001 0.000 0.857 4653 N CB 2.616 41.072 38.487 -0.050 0.000 1.256 4653 N HN -0.055 7.852 8.380 -0.441 0.209 0.484 4654 L N 4.516 125.887 121.223 0.246 0.000 2.278 4654 L HA 0.200 4.768 4.340 0.380 0.000 0.287 4654 L C -1.715 175.206 176.870 0.085 0.000 1.072 4654 L CA -0.131 54.883 54.840 0.290 0.000 0.819 4654 L CB 0.928 43.208 42.059 0.369 0.000 1.176 4654 L HN -0.201 8.091 8.230 0.263 0.096 0.435 4655 I N 8.134 128.740 120.570 0.060 0.000 2.412 4655 I HA 0.602 4.852 4.170 -0.197 -0.198 0.296 4655 I C -1.145 174.981 176.117 0.015 0.000 0.987 4655 I CA -0.827 60.443 61.300 -0.051 0.000 1.180 4655 I CB 2.128 40.128 38.000 -0.001 0.000 1.340 4655 I HN 1.132 9.313 8.210 0.134 0.109 0.455 4656 I N 4.504 124.998 120.570 -0.127 0.000 2.569 4656 I HA 0.564 4.994 4.170 0.177 -0.154 0.290 4656 I C -1.445 174.612 176.117 -0.101 0.000 1.088 4656 I CA -1.118 60.183 61.300 0.001 0.000 1.047 4656 I CB 3.208 41.195 38.000 -0.021 0.000 1.237 4656 I HN 1.171 9.076 8.210 -0.305 0.122 0.421 4657 H N 6.478 125.531 119.070 -0.029 0.000 2.466 4657 H HA 0.596 5.258 4.556 -0.026 -0.121 0.338 4657 H C -0.704 174.625 175.328 0.002 0.000 1.091 4657 H CA -2.215 53.824 56.048 -0.015 0.000 1.207 4657 H CB 2.453 32.213 29.762 -0.003 0.000 1.466 4657 H HN 1.168 9.566 8.280 0.391 0.117 0.493 4658 I N 1.549 122.192 120.570 0.121 0.000 2.440 4658 I HA -0.033 4.195 4.170 0.096 0.000 0.294 4658 I C -0.873 175.415 176.117 0.285 0.000 0.995 4658 I CA -1.163 60.221 61.300 0.140 0.000 1.306 4658 I CB -0.415 37.590 38.000 0.007 0.000 1.407 4658 I HN 0.349 8.496 8.210 0.088 0.116 0.501 4659 L N 3.698 125.135 121.223 0.357 0.000 3.031 4659 L HA 0.194 4.725 4.340 0.208 -0.067 0.167 4659 L C -0.766 176.237 176.870 0.222 0.000 1.203 4659 L CA 0.612 55.590 54.840 0.231 0.000 0.857 4659 L CB 1.269 43.327 42.059 -0.002 0.000 1.368 4659 L HN 0.257 8.705 8.230 0.364 0.000 0.534 4660 Q N -6.668 113.228 119.800 0.160 0.000 2.874 4660 Q HA 0.467 4.228 4.340 -1.130 -0.099 0.303 4660 Q C -2.675 173.407 176.000 0.137 0.000 0.876 4660 Q CA -0.655 55.011 55.803 -0.229 0.000 0.765 4660 Q CB 3.263 31.880 28.738 -0.202 0.000 1.478 4660 Q HN -0.507 7.859 8.270 0.160 0.000 0.434 4661 A N -1.188 121.675 122.820 0.073 0.000 2.401 4661 A HA 0.850 5.615 4.320 0.590 -0.091 0.310 4661 A C -2.508 175.230 177.584 0.257 0.000 1.075 4661 A CA -1.454 50.796 52.037 0.356 0.000 0.746 4661 A CB 3.817 23.030 19.000 0.354 0.000 1.277 4661 A HN 0.752 8.734 8.150 -0.281 0.000 0.425 4662 R N -1.736 118.913 120.500 0.249 0.000 2.807 4662 R HA 0.553 5.136 4.340 0.027 -0.227 0.276 4662 R C -0.250 176.037 176.300 -0.022 0.000 0.979 4662 R CA -1.961 54.155 56.100 0.026 0.000 0.928 4662 R CB 2.899 33.085 30.300 -0.190 0.000 1.191 4662 R HN -0.022 8.455 8.270 0.344 0.000 0.471 4663 N N -1.813 116.860 118.700 -0.044 0.000 2.754 4663 N HA -0.456 4.260 4.740 -0.040 0.000 0.248 4663 N C -0.604 174.895 175.510 -0.018 0.000 1.093 4663 N CA 1.623 54.648 53.050 -0.041 0.000 0.699 4663 N CB -1.346 37.104 38.487 -0.062 0.000 1.016 4663 N HN 0.243 8.844 8.380 -0.047 -0.249 0.552 4664 L N -3.983 117.233 121.223 -0.012 0.000 2.464 4664 L HA -0.019 4.543 4.340 -0.023 -0.236 0.224 4664 L C 0.860 177.719 176.870 -0.017 0.000 1.219 4664 L CA -0.388 54.440 54.840 -0.019 0.000 0.831 4664 L CB 1.050 43.094 42.059 -0.025 0.000 1.284 4664 L HN -0.688 7.522 8.230 -0.011 0.013 0.522 4665 V N 1.418 121.318 119.914 -0.024 0.000 2.439 4665 V HA 0.086 4.215 4.120 0.015 0.000 0.271 4665 V C -1.611 174.493 176.094 0.017 0.000 1.040 4665 V CA -2.987 59.317 62.300 0.006 0.000 1.002 4665 V CB 0.155 31.998 31.823 0.033 0.000 1.000 4665 V HN 0.312 8.470 8.190 -0.052 0.000 0.477 4666 P HA 0.125 4.571 4.420 0.043 0.000 0.271 4666 P C -1.485 175.845 177.300 0.049 0.000 1.218 4666 P CA -0.272 62.851 63.100 0.038 0.000 0.780 4666 P CB 0.745 32.462 31.700 0.028 0.000 0.901 4667 R N 0.160 120.699 120.500 0.064 0.000 2.836 4667 R HA 0.308 4.656 4.340 0.013 0.000 0.269 4667 R C -1.496 174.801 176.300 -0.006 0.000 1.010 4667 R CA -1.311 54.805 56.100 0.027 0.000 0.930 4667 R CB 3.192 33.513 30.300 0.035 0.000 1.218 4667 R HN 0.186 8.508 8.270 0.087 0.000 0.473 4668 D N 1.602 121.960 120.400 -0.071 0.000 2.423 4668 D HA -0.092 4.531 4.640 -0.029 0.000 0.238 4668 D C -0.596 175.642 176.300 -0.104 0.000 1.142 4668 D CA 0.763 54.719 54.000 -0.072 0.000 0.884 4668 D CB 0.258 41.010 40.800 -0.080 0.000 1.199 4668 D HN 0.019 8.339 8.370 -0.084 0.000 0.438 4669 N N 0.277 118.956 118.700 -0.035 0.000 2.385 4669 N HA -0.363 4.389 4.740 0.020 0.000 0.290 4669 N C -1.420 174.147 175.510 0.096 0.000 1.440 4669 N CA 0.297 53.348 53.050 0.001 0.000 0.633 4669 N CB -0.277 38.182 38.487 -0.047 0.000 0.927 4669 N HN 0.120 8.490 8.380 -0.017 0.000 0.496 4670 N N 0.906 119.670 118.700 0.106 0.000 2.454 4670 N HA -0.149 4.696 4.740 0.174 0.000 0.260 4670 N C 0.475 176.079 175.510 0.157 0.000 1.218 4670 N CA 1.075 54.209 53.050 0.140 0.000 0.904 4670 N CB 0.410 38.954 38.487 0.094 0.000 1.065 4670 N HN -0.110 8.314 8.380 0.073 0.000 0.462 4671 G N 2.464 111.355 108.800 0.151 0.000 3.341 4671 G HA2 -0.264 3.641 3.960 -0.092 0.000 0.374 4671 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.374 4671 G C -1.210 173.774 174.900 0.139 0.000 0.885 4671 G CA 0.554 45.673 45.100 0.032 0.000 0.740 4671 G HN 0.295 8.676 8.290 0.151 0.000 0.390 4672 Y N -1.376 118.908 120.300 -0.026 0.000 2.811 4672 Y HA 0.064 4.601 4.550 -0.022 0.000 0.256 4672 Y C -1.424 174.478 175.900 0.004 0.000 1.135 4672 Y CA -0.465 57.627 58.100 -0.013 0.000 1.178 4672 Y CB 0.648 39.108 38.460 -0.001 0.000 1.385 4672 Y HN -0.139 7.892 8.280 -0.414 0.000 0.498 4673 S N 1.200 116.481 115.700 -0.698 0.000 2.536 4673 S HA 0.040 4.459 4.470 -0.086 0.000 0.287 4673 S C -1.177 173.256 174.600 -0.278 0.000 1.101 4673 S CA -0.897 57.116 58.200 -0.311 0.000 0.950 4673 S CB 1.626 64.766 63.200 -0.100 0.000 1.056 4673 S HN -0.453 6.815 8.310 -1.737 0.000 0.481 4674 D N 5.318 125.704 120.400 -0.024 0.000 2.339 4674 D HA 0.315 4.917 4.640 -0.064 0.000 0.241 4674 D C -1.493 174.931 176.300 0.207 0.000 1.183 4674 D CA -1.342 52.686 54.000 0.046 0.000 0.859 4674 D CB 1.045 41.901 40.800 0.093 0.000 1.067 4674 D HN 0.154 8.556 8.370 0.054 0.000 0.484 4675 P HA 0.097 4.593 4.420 -0.047 -0.104 0.271 4675 P C -0.676 176.881 177.300 0.428 0.000 1.216 4675 P CA 0.010 63.181 63.100 0.117 0.000 0.771 4675 P CB 0.342 32.070 31.700 0.047 0.000 0.864 4676 F N 0.184 120.272 119.950 0.230 0.000 2.618 4676 F HA 0.479 5.167 4.527 0.269 0.000 0.332 4676 F C -2.403 173.353 175.800 -0.074 0.000 1.061 4676 F CA -2.451 55.620 58.000 0.120 0.000 0.974 4676 F CB 2.704 41.702 39.000 -0.003 0.000 1.310 4676 F HN 0.822 8.666 8.300 -0.760 0.000 0.491 4677 V N -1.393 118.418 119.914 -0.172 0.000 3.001 4677 V HA 0.824 5.042 4.120 -0.121 -0.170 0.314 4677 V C -0.767 175.301 176.094 -0.043 0.000 1.099 4677 V CA -1.715 60.429 62.300 -0.260 0.000 0.989 4677 V CB 4.145 35.518 31.823 -0.751 0.000 1.040 4677 V HN 0.245 8.325 8.190 -0.183 0.000 0.434 4678 K N 3.069 123.484 120.400 0.025 0.000 2.426 4678 K HA 0.562 5.077 4.320 0.020 -0.183 0.254 4678 K C -1.671 174.884 176.600 -0.075 0.000 0.936 4678 K CA -1.327 54.978 56.287 0.030 0.000 0.801 4678 K CB 2.813 35.363 32.500 0.085 0.000 1.139 4678 K HN 1.013 9.174 8.250 0.055 0.122 0.424 4679 V N 4.714 124.595 119.914 -0.056 0.000 2.443 4679 V HA 0.934 5.149 4.120 -0.281 -0.263 0.293 4679 V C -1.129 174.982 176.094 0.029 0.000 1.021 4679 V CA -1.376 60.859 62.300 -0.107 0.000 0.848 4679 V CB 2.368 34.174 31.823 -0.028 0.000 0.998 4679 V HN 0.459 8.659 8.190 0.017 0.000 0.424 4680 Y N 2.382 122.690 120.300 0.013 0.000 2.571 4680 Y HA 0.390 4.829 4.550 -0.186 0.000 0.341 4680 Y C -2.493 173.322 175.900 -0.142 0.000 1.076 4680 Y CA -2.544 55.496 58.100 -0.100 0.000 1.029 4680 Y CB 1.861 40.274 38.460 -0.078 0.000 1.308 4680 Y HN -0.229 7.652 8.280 -0.664 0.000 0.461 4681 L N 0.303 121.527 121.223 0.001 0.000 2.397 4681 L HA 0.170 4.716 4.340 -0.019 -0.218 0.271 4681 L C 1.703 178.638 176.870 0.108 0.000 1.148 4681 L CA -1.051 53.778 54.840 -0.018 0.000 0.825 4681 L CB 0.254 42.222 42.059 -0.151 0.000 1.117 4681 L HN 0.488 8.615 8.230 -0.173 0.000 0.456 4682 L N 2.845 124.120 121.223 0.087 0.000 1.994 4682 L HA -0.080 4.357 4.340 0.162 0.000 0.208 4682 L C 0.094 176.973 176.870 0.015 0.000 1.071 4682 L CA 4.383 59.274 54.840 0.086 0.000 0.745 4682 L CB -2.157 39.937 42.059 0.058 0.000 0.892 4682 L HN -0.133 8.125 8.230 0.045 0.000 0.431 4683 P HA 0.237 4.641 4.420 -0.027 0.000 0.206 4683 P C -1.683 175.591 177.300 -0.043 0.000 1.854 4683 P CA -1.163 61.921 63.100 -0.026 0.000 0.969 4683 P CB -1.867 29.821 31.700 -0.021 0.000 1.843 4684 G N 0.038 108.802 108.800 -0.060 0.000 3.212 4684 G HA2 0.212 4.132 3.960 -0.067 0.000 0.188 4684 G HA3 0.212 4.110 3.960 -0.102 0.000 0.188 4684 G C -0.537 174.315 174.900 -0.081 0.000 1.254 4684 G CA -0.598 44.455 45.100 -0.078 0.000 0.957 4684 G HN -0.921 7.263 8.290 -0.059 0.071 0.596 4685 R N 0.226 120.675 120.500 -0.086 0.000 2.356 4685 R HA 0.125 4.423 4.340 -0.069 0.000 0.234 4685 R C 0.387 176.623 176.300 -0.106 0.000 0.929 4685 R CA -0.733 55.320 56.100 -0.078 0.000 1.084 4685 R CB -0.012 30.254 30.300 -0.057 0.000 1.105 4685 R HN 0.211 8.426 8.270 -0.091 0.000 0.515 4686 G N -0.839 107.869 108.800 -0.153 0.000 2.160 4686 G HA2 -0.289 3.462 3.960 -0.349 0.000 0.244 4686 G HA3 -0.289 3.546 3.960 -0.207 0.000 0.244 4686 G C -0.683 174.090 174.900 -0.211 0.000 1.022 4686 G CA -0.004 44.955 45.100 -0.236 0.000 0.741 4686 G HN 0.174 8.283 8.290 -0.146 0.093 0.508 4687 Q N -0.733 118.985 119.800 -0.136 0.000 2.344 4687 Q HA 0.006 4.312 4.340 -0.056 0.000 0.253 4687 Q C -1.088 174.923 176.000 0.018 0.000 1.050 4687 Q CA -0.603 55.166 55.803 -0.056 0.000 0.912 4687 Q CB 0.799 29.525 28.738 -0.020 0.000 1.258 4687 Q HN -0.251 7.917 8.270 -0.131 0.024 0.443 4688 V N 6.104 126.034 119.914 0.027 0.000 2.348 4688 V HA 0.065 4.418 4.120 0.388 0.000 0.270 4688 V C -1.656 174.515 176.094 0.127 0.000 1.037 4688 V CA -0.428 61.977 62.300 0.176 0.000 0.872 4688 V CB 1.162 33.065 31.823 0.132 0.000 1.002 4688 V HN 0.302 8.474 8.190 -0.031 0.000 0.464 4689 M N 10.709 130.409 119.600 0.166 0.000 2.061 4689 M HA 0.269 4.790 4.480 0.069 0.000 0.346 4689 M C -1.543 174.785 176.300 0.047 0.000 1.112 4689 M CA -1.222 54.141 55.300 0.104 0.000 1.021 4689 M CB 1.357 34.049 32.600 0.152 0.000 1.530 4689 M HN -0.174 8.255 8.290 0.231 0.000 0.437 4690 V N 7.102 127.021 119.914 0.008 0.000 2.732 4690 V HA 0.436 4.773 4.120 0.012 -0.210 0.297 4690 V C 0.119 176.193 176.094 -0.032 0.000 1.060 4690 V CA -1.467 60.826 62.300 -0.010 0.000 1.038 4690 V CB 0.633 32.422 31.823 -0.056 0.000 1.003 4690 V HN 0.295 8.486 8.190 0.001 0.000 0.481 4691 V N 6.683 126.563 119.914 -0.057 0.000 2.607 4691 V HA 0.011 4.092 4.120 -0.065 0.000 0.289 4691 V C -0.741 175.366 176.094 0.021 0.000 1.053 4691 V CA 0.025 62.276 62.300 -0.082 0.000 0.996 4691 V CB 0.488 32.133 31.823 -0.296 0.000 0.995 4691 V HN 0.713 8.773 8.190 -0.048 0.101 0.476 4692 Q N 4.921 124.757 119.800 0.060 0.000 2.169 4692 Q HA 0.120 4.517 4.340 0.094 0.000 0.234 4692 Q C -1.381 174.736 176.000 0.196 0.000 0.980 4692 Q CA -0.811 55.054 55.803 0.103 0.000 0.941 4692 Q CB 1.811 30.585 28.738 0.060 0.000 1.199 4692 Q HN 0.138 8.432 8.270 0.039 0.000 0.496 4693 N N -1.062 117.737 118.700 0.165 0.000 2.438 4693 N HA 0.039 4.925 4.740 0.243 0.000 0.282 4693 N C -0.022 175.560 175.510 0.119 0.000 1.037 4693 N CA -0.202 52.946 53.050 0.164 0.000 0.942 4693 N CB 1.062 39.611 38.487 0.104 0.000 1.136 4693 N HN 0.037 8.488 8.380 0.119 0.000 0.481 4694 A N 4.361 127.264 122.820 0.139 0.000 2.281 4694 A HA 0.037 4.454 4.320 0.162 0.000 0.271 4694 A C 0.273 177.934 177.584 0.129 0.000 1.196 4694 A CA -0.072 52.072 52.037 0.180 0.000 0.807 4694 A CB 0.597 19.803 19.000 0.342 0.000 1.138 4694 A HN -0.046 8.194 8.150 0.151 0.000 0.506 4695 S N -0.345 115.487 115.700 0.221 0.000 2.973 4695 S HA -0.252 4.280 4.470 0.104 0.000 0.357 4695 S C 1.358 175.982 174.600 0.040 0.000 1.159 4695 S CA 0.911 59.216 58.200 0.175 0.000 1.423 4695 S CB 0.112 63.471 63.200 0.266 0.000 1.115 4695 S HN 0.263 8.742 8.310 0.282 0.000 0.563 4696 A N 7.995 130.794 122.820 -0.035 0.000 2.084 4696 A HA -0.331 3.862 4.320 -0.211 0.000 0.221 4696 A C 1.847 179.370 177.584 -0.101 0.000 1.161 4696 A CA 2.879 54.846 52.037 -0.116 0.000 0.653 4696 A CB -0.254 18.704 19.000 -0.069 0.000 0.802 4696 A HN 0.438 8.588 8.150 -0.000 0.000 0.457 4697 E N -1.576 118.620 120.200 -0.006 0.000 2.118 4697 E HA -0.320 4.036 4.350 0.011 0.000 0.195 4697 E C 1.545 178.183 176.600 0.064 0.000 0.992 4697 E CA 2.672 59.093 56.400 0.034 0.000 0.804 4697 E CB -0.164 29.578 29.700 0.070 0.000 0.741 4697 E HN 0.352 8.684 8.360 0.026 0.043 0.458 4698 Y N -4.628 115.678 120.300 0.010 0.000 2.476 4698 Y HA 0.035 4.597 4.550 0.019 0.000 0.283 4698 Y C 0.546 176.452 175.900 0.010 0.000 1.109 4698 Y CA 1.173 59.280 58.100 0.013 0.000 1.246 4698 Y CB 0.592 39.057 38.460 0.009 0.000 1.068 4698 Y HN -0.409 7.851 8.280 0.157 0.115 0.552 4699 K N -0.240 119.686 120.400 -0.790 0.000 2.076 4699 K HA -0.090 3.783 4.320 -0.746 0.000 0.204 4699 K C 2.156 178.586 176.600 -0.283 0.000 1.051 4699 K CA 1.671 57.555 56.287 -0.673 0.000 0.949 4699 K CB -0.164 31.963 32.500 -0.622 0.000 0.726 4699 K HN -0.694 7.046 8.250 -0.683 0.101 0.443 4700 R N -2.374 118.004 120.500 -0.204 0.000 2.185 4700 R HA -0.323 3.897 4.340 -0.200 0.000 0.247 4700 R C 1.527 177.777 176.300 -0.082 0.000 1.159 4700 R CA 2.901 58.911 56.100 -0.150 0.000 0.988 4700 R CB -0.374 29.870 30.300 -0.093 0.000 0.871 4700 R HN 0.510 8.528 8.270 -0.211 0.125 0.458 4701 R N -6.280 114.241 120.500 0.035 0.000 2.290 4701 R HA 0.096 4.699 4.340 0.438 0.000 0.197 4701 R C 0.742 177.216 176.300 0.290 0.000 0.913 4701 R CA 1.400 57.639 56.100 0.231 0.000 1.040 4701 R CB 0.300 30.697 30.300 0.161 0.000 0.992 4701 R HN -0.740 7.475 8.270 -0.015 0.046 0.500 4702 T N -0.717 113.909 114.554 0.121 0.000 2.969 4702 T HA 0.187 4.640 4.350 0.172 0.000 0.250 4702 T C 0.414 175.146 174.700 0.053 0.000 1.021 4702 T CA 0.579 62.745 62.100 0.109 0.000 1.003 4702 T CB 1.226 70.131 68.868 0.060 0.000 1.040 4702 T HN 0.006 8.052 8.240 -0.002 0.193 0.492 4703 K N 1.504 121.861 120.400 -0.072 0.000 2.286 4703 K HA -0.418 3.886 4.320 -0.134 -0.064 0.203 4703 K C 1.469 178.010 176.600 -0.098 0.000 1.045 4703 K CA 3.198 59.400 56.287 -0.142 0.000 0.935 4703 K CB -0.214 32.151 32.500 -0.224 0.000 0.737 4703 K HN 0.488 8.556 8.250 -0.112 0.115 0.460 4704 Y N -4.662 115.609 120.300 -0.048 0.000 1.956 4704 Y HA -0.399 4.139 4.550 -0.020 0.000 0.258 4704 Y C 1.620 177.506 175.900 -0.023 0.000 1.152 4704 Y CA 3.066 61.151 58.100 -0.026 0.000 1.093 4704 Y CB -0.389 38.060 38.460 -0.017 0.000 0.945 4704 Y HN -0.327 7.944 8.280 0.075 0.054 0.488 4705 V N -8.173 111.839 119.914 0.163 0.000 2.795 4705 V HA -0.055 4.108 4.120 0.073 0.000 0.243 4705 V C 2.117 178.225 176.094 0.023 0.000 1.069 4705 V CA 1.438 63.783 62.300 0.075 0.000 1.089 4705 V CB 0.836 32.693 31.823 0.057 0.000 0.756 4705 V HN -0.677 7.636 8.190 0.205 0.000 0.471 4706 Q N 0.146 119.952 119.800 0.011 0.000 1.975 4706 Q HA -0.441 3.890 4.340 -0.028 -0.007 0.205 4706 Q C 2.290 178.241 176.000 -0.081 0.000 0.990 4706 Q CA 3.642 59.423 55.803 -0.036 0.000 0.845 4706 Q CB -0.383 28.329 28.738 -0.043 0.000 0.913 4706 Q HN -0.378 7.916 8.270 0.041 0.000 0.420 4707 K N -1.974 118.362 120.400 -0.107 0.000 2.286 4707 K HA -0.323 3.887 4.320 -0.183 0.000 0.203 4707 K C 0.533 177.052 176.600 -0.135 0.000 1.045 4707 K CA 2.541 58.737 56.287 -0.151 0.000 0.935 4707 K CB -0.247 32.150 32.500 -0.172 0.000 0.737 4707 K HN -0.183 7.918 8.250 -0.093 0.093 0.460 4708 S N -3.469 112.189 115.700 -0.070 0.000 2.404 4708 S HA -0.066 4.384 4.470 -0.034 0.000 0.223 4708 S C 0.719 175.313 174.600 -0.010 0.000 1.040 4708 S CA 2.609 60.797 58.200 -0.020 0.000 0.957 4708 S CB 0.543 63.765 63.200 0.037 0.000 0.826 4708 S HN -0.177 7.941 8.310 -0.048 0.163 0.491 4709 L N -2.449 118.763 121.223 -0.019 0.000 2.515 4709 L HA 0.131 4.466 4.340 -0.009 0.000 0.202 4709 L C -1.103 175.748 176.870 -0.032 0.000 1.056 4709 L CA 1.150 55.980 54.840 -0.017 0.000 0.847 4709 L CB 1.254 43.308 42.059 -0.009 0.000 1.131 4709 L HN 0.082 8.221 8.230 -0.023 0.078 0.484 4710 N N -2.829 115.844 118.700 -0.045 0.000 2.623 4710 N HA 0.567 5.414 4.740 -0.040 -0.131 0.256 4710 N C -2.694 172.732 175.510 -0.140 0.000 1.045 4710 N CA -2.659 50.358 53.050 -0.055 0.000 0.863 4710 N CB 1.586 40.067 38.487 -0.011 0.000 1.182 4710 N HN -0.440 7.833 8.380 -0.043 0.080 0.523 4711 P HA 0.220 4.431 4.420 -0.349 0.000 0.286 4711 P C -1.425 175.346 177.300 -0.882 0.000 1.261 4711 P CA -0.885 61.943 63.100 -0.453 0.000 0.821 4711 P CB 1.698 33.171 31.700 -0.379 0.000 1.013 4712 E N -1.314 118.371 120.200 -0.859 0.000 2.316 4712 E HA 0.409 4.228 4.350 -1.054 -0.101 0.258 4712 E C -1.833 174.187 176.600 -0.965 0.000 0.952 4712 E CA -1.573 54.311 56.400 -0.860 0.000 0.818 4712 E CB 2.995 32.540 29.700 -0.258 0.000 1.260 4712 E HN -0.148 7.851 8.360 -0.602 0.000 0.416 4713 W N -3.730 117.616 121.300 0.076 0.000 4.886 4713 W HA 0.136 4.839 4.660 0.072 0.000 0.170 4713 W C -0.956 175.619 176.519 0.093 0.000 1.103 4713 W CA 0.508 57.898 57.345 0.075 0.000 1.761 4713 W CB 2.257 31.753 29.460 0.059 0.000 0.566 4713 W HN 0.791 8.872 8.180 0.015 0.108 1.038 4714 N N -1.612 117.285 118.700 0.327 0.000 2.714 4714 N HA -0.428 4.529 4.740 0.182 -0.108 0.253 4714 N C -1.376 174.249 175.510 0.191 0.000 1.024 4714 N CA 1.363 54.539 53.050 0.210 0.000 0.726 4714 N CB -0.987 37.596 38.487 0.159 0.000 0.908 4714 N HN -0.379 8.067 8.380 0.375 0.158 0.542 4715 Q N -2.769 117.145 119.800 0.191 0.000 2.333 4715 Q HA 0.322 4.718 4.340 0.093 0.000 0.266 4715 Q C -0.778 175.237 176.000 0.025 0.000 1.053 4715 Q CA -1.624 54.240 55.803 0.101 0.000 0.890 4715 Q CB 2.908 31.693 28.738 0.078 0.000 1.337 4715 Q HN -0.004 8.300 8.270 0.234 0.107 0.474 4716 T N 0.899 115.394 114.554 -0.098 0.000 2.971 4716 T HA 0.339 4.555 4.350 -0.479 -0.154 0.304 4716 T C -1.162 173.347 174.700 -0.318 0.000 1.038 4716 T CA -0.761 61.127 62.100 -0.354 0.000 1.007 4716 T CB 1.877 70.490 68.868 -0.426 0.000 1.055 4716 T HN 0.143 8.342 8.240 -0.068 0.000 0.451 4717 V N 4.938 124.614 119.914 -0.396 0.000 3.102 4717 V HA 0.521 4.464 4.120 -0.296 0.000 0.312 4717 V C -1.978 173.832 176.094 -0.473 0.000 1.135 4717 V CA -1.780 60.294 62.300 -0.376 0.000 1.022 4717 V CB 4.292 35.895 31.823 -0.368 0.000 1.056 4717 V HN 1.053 8.835 8.190 -0.480 0.120 0.436 4718 I N -0.788 119.481 120.570 -0.502 0.000 2.894 4718 I HA 0.598 4.730 4.170 -0.440 -0.226 0.302 4718 I C -0.772 175.052 176.117 -0.490 0.000 1.188 4718 I CA -1.184 59.851 61.300 -0.441 0.000 1.014 4718 I CB 3.970 41.845 38.000 -0.209 0.000 1.242 4718 I HN -0.010 7.938 8.210 -0.437 0.000 0.430 4719 Y N 3.819 124.126 120.300 0.011 0.000 2.748 4719 Y HA 0.174 4.731 4.550 0.013 0.000 0.359 4719 Y C -0.461 175.460 175.900 0.036 0.000 1.030 4719 Y CA -2.038 56.076 58.100 0.024 0.000 1.169 4719 Y CB -0.838 37.645 38.460 0.038 0.000 1.127 4719 Y HN 0.870 8.976 8.280 -0.083 0.124 0.644 4720 K N 3.162 123.640 120.400 0.130 0.000 2.319 4720 K HA -0.137 4.412 4.320 0.075 -0.184 0.265 4720 K C 0.489 177.147 176.600 0.096 0.000 1.000 4720 K CA 0.891 57.228 56.287 0.083 0.000 0.943 4720 K CB 0.239 32.761 32.500 0.036 0.000 0.950 4720 K HN 0.222 8.529 8.250 0.095 0.000 0.485 4721 S N -2.074 113.675 115.700 0.082 0.000 3.461 4721 S HA -0.300 4.207 4.470 0.062 0.000 0.282 4721 S C -0.724 173.929 174.600 0.089 0.000 1.262 4721 S CA 1.181 59.425 58.200 0.072 0.000 0.853 4721 S CB -0.375 62.857 63.200 0.054 0.000 1.048 4721 S HN 0.077 8.627 8.310 0.074 -0.196 0.644 4722 I N 1.575 122.226 120.570 0.135 0.000 2.439 4722 I HA 0.165 4.388 4.170 0.088 0.000 0.285 4722 I C -2.340 173.896 176.117 0.198 0.000 1.021 4722 I CA -0.794 60.590 61.300 0.139 0.000 1.091 4722 I CB 1.943 40.033 38.000 0.151 0.000 1.242 4722 I HN -0.131 8.174 8.210 0.157 0.000 0.439 4723 S N 5.850 121.619 115.700 0.114 0.000 2.687 4723 S HA 0.336 4.945 4.470 0.233 0.000 0.283 4723 S C 1.058 175.627 174.600 -0.053 0.000 1.170 4723 S CA -1.620 56.640 58.200 0.099 0.000 1.008 4723 S CB 2.638 65.882 63.200 0.075 0.000 1.026 4723 S HN 0.159 8.512 8.310 0.072 0.000 0.541 4724 M N 1.250 120.757 119.600 -0.155 0.000 2.337 4724 M HA -0.337 3.928 4.480 -0.358 0.000 0.261 4724 M C 2.012 178.245 176.300 -0.113 0.000 1.067 4724 M CA 3.516 58.675 55.300 -0.236 0.000 1.074 4724 M CB -0.791 31.679 32.600 -0.217 0.000 1.395 4724 M HN 0.916 9.159 8.290 -0.078 0.000 0.431 4725 E N -1.007 119.160 120.200 -0.056 0.000 2.017 4725 E HA -0.332 3.997 4.350 -0.035 0.000 0.193 4725 E C 2.355 178.934 176.600 -0.034 0.000 0.997 4725 E CA 2.751 59.131 56.400 -0.034 0.000 0.804 4725 E CB -0.585 29.108 29.700 -0.013 0.000 0.757 4725 E HN -0.418 7.874 8.360 -0.037 0.046 0.448 4726 Q N -2.091 117.693 119.800 -0.027 0.000 2.269 4726 Q HA -0.131 4.196 4.340 -0.022 0.000 0.201 4726 Q C 2.636 178.615 176.000 -0.035 0.000 0.946 4726 Q CA 1.605 57.394 55.803 -0.023 0.000 0.877 4726 Q CB 0.574 29.306 28.738 -0.010 0.000 0.963 4726 Q HN -0.701 7.558 8.270 -0.018 0.000 0.472 4727 L N 1.043 122.233 121.223 -0.054 0.000 1.989 4727 L HA -0.316 4.000 4.340 -0.040 0.000 0.211 4727 L C 2.143 178.970 176.870 -0.072 0.000 1.071 4727 L CA 3.628 58.425 54.840 -0.072 0.000 0.749 4727 L CB 0.037 41.999 42.059 -0.162 0.000 0.890 4727 L HN 0.689 8.750 8.230 -0.059 0.133 0.431 4728 M N -3.962 115.588 119.600 -0.084 0.000 2.260 4728 M HA -0.413 4.151 4.480 -0.069 -0.125 0.261 4728 M C 1.557 177.832 176.300 -0.042 0.000 1.066 4728 M CA 2.996 58.257 55.300 -0.065 0.000 1.082 4728 M CB -0.539 32.024 32.600 -0.063 0.000 1.388 4728 M HN -0.444 7.674 8.290 -0.100 0.111 0.419 4729 K N -5.972 114.406 120.400 -0.037 0.000 2.365 4729 K HA -0.191 4.115 4.320 -0.023 0.000 0.197 4729 K C 0.439 177.025 176.600 -0.024 0.000 1.042 4729 K CA 0.561 56.832 56.287 -0.026 0.000 0.987 4729 K CB 0.151 32.638 32.500 -0.023 0.000 0.779 4729 K HN -0.308 7.770 8.250 -0.042 0.147 0.484 4730 K N -0.494 119.889 120.400 -0.028 0.000 2.098 4730 K HA 0.158 4.465 4.320 -0.021 0.000 0.258 4730 K C -1.298 175.288 176.600 -0.022 0.000 0.973 4730 K CA -0.858 55.413 56.287 -0.026 0.000 0.898 4730 K CB 1.754 34.232 32.500 -0.036 0.000 1.057 4730 K HN -0.189 7.852 8.250 -0.035 0.189 0.447 4731 T N 1.976 116.520 114.554 -0.016 0.000 2.824 4731 T HA 0.230 4.736 4.350 -0.019 -0.167 0.282 4731 T C -1.296 173.388 174.700 -0.026 0.000 0.993 4731 T CA -0.354 61.736 62.100 -0.017 0.000 0.967 4731 T CB 2.385 71.248 68.868 -0.008 0.000 0.960 4731 T HN 0.185 8.418 8.240 -0.010 0.000 0.441 4732 L N 6.893 128.095 121.223 -0.036 0.000 2.385 4732 L HA 0.061 4.374 4.340 -0.045 0.000 0.281 4732 L C -2.377 174.427 176.870 -0.109 0.000 1.106 4732 L CA -0.185 54.623 54.840 -0.054 0.000 0.856 4732 L CB 1.064 43.104 42.059 -0.032 0.000 1.186 4732 L HN 0.817 9.028 8.230 -0.031 0.000 0.453 4733 E N 8.909 129.010 120.200 -0.165 0.000 2.092 4733 E HA 0.506 4.968 4.350 -0.143 -0.198 0.271 4733 E C -1.709 174.725 176.600 -0.277 0.000 0.919 4733 E CA -2.003 54.267 56.400 -0.217 0.000 0.760 4733 E CB 2.132 31.678 29.700 -0.257 0.000 1.106 4733 E HN -0.067 8.186 8.360 -0.177 0.000 0.408 4734 V N 7.878 127.681 119.914 -0.184 0.000 2.406 4734 V HA 0.218 4.347 4.120 -0.187 -0.121 0.272 4734 V C -0.621 175.426 176.094 -0.078 0.000 1.043 4734 V CA -1.146 61.058 62.300 -0.160 0.000 0.915 4734 V CB -0.240 31.485 31.823 -0.163 0.000 0.988 4734 V HN -0.045 8.051 8.190 -0.156 0.000 0.466 4735 T N 5.777 120.313 114.554 -0.030 0.000 2.841 4735 T HA 0.778 5.385 4.350 0.097 -0.199 0.285 4735 T C -0.688 174.071 174.700 0.098 0.000 0.991 4735 T CA -2.409 59.771 62.100 0.134 0.000 0.966 4735 T CB 2.460 71.590 68.868 0.437 0.000 0.962 4735 T HN 0.943 9.036 8.240 -0.072 0.104 0.438 4736 V N 5.390 125.203 119.914 -0.169 0.000 2.509 4736 V HA 0.392 4.559 4.120 -0.157 -0.142 0.284 4736 V C -1.515 174.241 176.094 -0.564 0.000 1.047 4736 V CA -0.781 61.357 62.300 -0.269 0.000 0.952 4736 V CB 0.571 32.248 31.823 -0.244 0.000 0.988 4736 V HN 1.083 8.993 8.190 -0.253 0.129 0.469 4737 W N 5.082 126.023 121.300 -0.599 0.000 3.138 4737 W HA 0.476 4.990 4.660 -0.474 -0.139 0.331 4737 W C -2.047 173.737 176.519 -1.225 0.000 1.166 4737 W CA -1.091 55.785 57.345 -0.781 0.000 1.212 4737 W CB 4.499 33.556 29.460 -0.673 0.000 1.399 4737 W HN 1.300 9.137 8.180 -0.382 0.113 0.514 4738 D N -0.456 119.661 120.400 -0.471 0.000 2.256 4738 D HA 0.383 4.799 4.640 -0.373 0.000 0.246 4738 D C -1.275 175.033 176.300 0.013 0.000 1.042 4738 D CA -1.893 51.938 54.000 -0.282 0.000 0.841 4738 D CB 4.307 45.030 40.800 -0.128 0.000 1.223 4738 D HN 0.839 8.945 8.370 -0.247 0.116 0.470 4739 Y N 2.515 122.982 120.300 0.279 0.000 2.397 4739 Y HA -0.022 4.867 4.550 0.359 -0.124 0.335 4739 Y C 0.113 176.079 175.900 0.111 0.000 1.213 4739 Y CA 1.929 60.203 58.100 0.289 0.000 1.391 4739 Y CB 0.794 39.408 38.460 0.256 0.000 1.293 4739 Y HN -0.019 8.488 8.280 0.379 0.000 0.557 4740 D N 1.216 121.733 120.400 0.195 0.000 2.403 4740 D HA 0.099 4.788 4.640 0.082 0.000 0.278 4740 D C 0.918 177.215 176.300 -0.005 0.000 1.230 4740 D CA -0.213 53.776 54.000 -0.018 0.000 1.062 4740 D CB 1.862 42.413 40.800 -0.415 0.000 1.119 4740 D HN 0.446 8.863 8.370 0.233 0.092 0.557 4741 R N -1.497 119.008 120.500 0.010 0.000 2.246 4741 R HA -0.068 4.335 4.340 0.105 0.000 0.199 4741 R C 0.472 176.861 176.300 0.148 0.000 0.984 4741 R CA 1.387 57.558 56.100 0.118 0.000 1.015 4741 R CB 0.114 30.525 30.300 0.186 0.000 0.930 4741 R HN 0.443 8.730 8.270 0.029 0.000 0.475 4742 F N -5.639 114.361 119.950 0.084 0.000 2.557 4742 F HA 0.415 4.964 4.527 0.036 0.000 0.278 4742 F C 0.605 176.436 175.800 0.052 0.000 1.051 4742 F CA 0.429 58.462 58.000 0.057 0.000 1.357 4742 F CB 0.509 39.543 39.000 0.056 0.000 1.104 4742 F HN -0.493 7.534 8.300 -0.400 0.033 0.654 4743 S N -3.361 111.991 115.700 -0.581 0.000 1.491 4743 S HA -0.020 4.349 4.470 -0.168 0.000 0.162 4743 S C -0.225 174.250 174.600 -0.208 0.000 0.631 4743 S CA 0.496 58.556 58.200 -0.233 0.000 1.580 4743 S CB 0.135 63.356 63.200 0.034 0.000 0.891 4743 S HN -0.495 6.908 8.310 -1.512 0.000 0.324 4744 S N 2.434 117.691 115.700 -0.739 0.000 2.586 4744 S HA -0.135 4.338 4.470 0.006 0.000 0.256 4744 S C -1.655 172.959 174.600 0.023 0.000 1.392 4744 S CA 1.222 59.274 58.200 -0.247 0.000 0.983 4744 S CB 0.779 63.852 63.200 -0.212 0.000 0.897 4744 S HN -0.242 6.870 8.310 -1.997 0.000 0.566 4745 N N -0.438 118.351 118.700 0.149 0.000 2.430 4745 N HA 0.481 5.546 4.740 0.245 -0.178 0.290 4745 N C -1.446 174.310 175.510 0.410 0.000 1.063 4745 N CA -0.996 52.214 53.050 0.266 0.000 0.883 4745 N CB 3.324 41.990 38.487 0.298 0.000 1.465 4745 N HN -0.070 8.403 8.380 0.156 0.000 0.493 4746 D N 1.849 122.437 120.400 0.313 0.000 2.253 4746 D HA 0.329 5.206 4.640 0.394 0.000 0.249 4746 D C -0.792 175.595 176.300 0.145 0.000 1.049 4746 D CA -0.311 53.857 54.000 0.281 0.000 0.929 4746 D CB 2.841 43.694 40.800 0.087 0.000 1.176 4746 D HN 0.769 9.153 8.370 0.195 0.102 0.437 4747 F N 0.754 120.525 119.950 -0.298 0.000 2.444 4747 F HA -0.061 3.282 4.527 -1.974 0.000 0.331 4747 F C -1.615 173.881 175.800 -0.508 0.000 1.167 4747 F CA 1.533 58.927 58.000 -1.010 0.000 1.262 4747 F CB 1.293 39.714 39.000 -0.964 0.000 1.196 4747 F HN 0.280 8.692 8.300 0.188 0.000 0.583 4748 L N -1.226 118.917 121.223 -1.800 0.000 3.048 4748 L HA 0.241 4.165 4.340 -0.693 0.000 0.278 4748 L C -1.659 174.439 176.870 -1.286 0.000 1.057 4748 L CA -0.069 54.099 54.840 -1.119 0.000 1.073 4748 L CB 3.483 45.167 42.059 -0.625 0.000 1.802 4748 L HN 0.103 6.738 8.230 -2.658 0.000 0.562 4749 G N -4.641 103.059 108.800 -1.834 0.000 2.556 4749 G HA2 0.128 3.926 3.960 -0.462 0.000 0.294 4749 G HA3 0.128 3.860 3.960 -0.379 0.000 0.294 4749 G C -3.428 171.396 174.900 -0.126 0.000 1.516 4749 G CA 0.842 45.503 45.100 -0.732 0.000 0.824 4749 G HN -0.762 6.126 8.290 -2.336 0.000 0.535 4750 E N 1.831 122.201 120.200 0.283 0.000 2.278 4750 E HA 0.862 5.507 4.350 0.186 -0.183 0.272 4750 E C -2.091 174.585 176.600 0.127 0.000 0.890 4750 E CA -1.651 54.899 56.400 0.250 0.000 0.770 4750 E CB 4.258 34.130 29.700 0.286 0.000 1.212 4750 E HN 0.014 8.616 8.360 0.272 -0.079 0.415 4751 V N 5.065 125.016 119.914 0.061 0.000 2.864 4751 V HA 0.369 4.538 4.120 0.081 0.000 0.314 4751 V C -1.808 174.284 176.094 -0.004 0.000 1.073 4751 V CA -2.455 59.873 62.300 0.047 0.000 0.956 4751 V CB 3.070 34.924 31.823 0.052 0.000 1.023 4751 V HN 1.198 9.284 8.190 0.030 0.122 0.435 4752 L N 2.824 124.056 121.223 0.014 0.000 2.415 4752 L HA 0.314 4.732 4.340 -0.038 -0.101 0.268 4752 L C -0.859 176.010 176.870 -0.001 0.000 0.984 4752 L CA -0.592 54.245 54.840 -0.006 0.000 0.853 4752 L CB 1.525 43.594 42.059 0.016 0.000 1.215 4752 L HN 0.348 8.610 8.230 0.053 0.000 0.419 4753 I N 5.658 126.199 120.570 -0.048 0.000 2.337 4753 I HA 0.072 4.255 4.170 0.022 0.000 0.285 4753 I C -1.460 174.643 176.117 -0.024 0.000 1.041 4753 I CA -1.205 60.073 61.300 -0.036 0.000 1.199 4753 I CB 0.977 38.898 38.000 -0.132 0.000 1.370 4753 I HN 1.071 9.118 8.210 -0.080 0.115 0.470 4754 D N 8.106 128.502 120.400 -0.006 0.000 2.412 4754 D HA -0.069 4.563 4.640 -0.014 0.000 0.257 4754 D C 1.413 177.700 176.300 -0.023 0.000 1.217 4754 D CA 0.991 54.983 54.000 -0.013 0.000 0.897 4754 D CB -0.210 40.585 40.800 -0.008 0.000 1.132 4754 D HN 0.468 8.843 8.370 0.008 0.000 0.493 4755 L N 2.937 124.145 121.223 -0.025 0.000 2.465 4755 L HA -0.187 4.137 4.340 -0.027 0.000 0.224 4755 L C 0.378 177.220 176.870 -0.047 0.000 1.145 4755 L CA 1.622 56.443 54.840 -0.032 0.000 0.834 4755 L CB -0.728 41.313 42.059 -0.030 0.000 0.944 4755 L HN -0.151 8.065 8.230 -0.023 0.000 0.451 4756 S N -3.491 112.186 115.700 -0.040 0.000 2.442 4756 S HA -0.171 4.280 4.470 -0.050 -0.011 0.236 4756 S C 0.416 174.992 174.600 -0.040 0.000 1.007 4756 S CA 2.173 60.349 58.200 -0.041 0.000 0.965 4756 S CB 0.440 63.623 63.200 -0.029 0.000 0.773 4756 S HN -0.015 8.210 8.310 -0.031 0.065 0.504 4757 S N -0.500 115.176 115.700 -0.040 0.000 3.053 4757 S HA 0.164 4.611 4.470 -0.039 0.000 0.255 4757 S C -1.504 173.058 174.600 -0.063 0.000 0.976 4757 S CA -0.083 58.091 58.200 -0.043 0.000 1.159 4757 S CB 1.641 64.820 63.200 -0.034 0.000 1.110 4757 S HN -0.684 7.560 8.310 -0.039 0.043 0.633 4758 T N 4.009 118.526 114.554 -0.062 0.000 2.758 4758 T HA -0.198 4.071 4.350 -0.135 0.000 0.249 4758 T C 1.130 175.782 174.700 -0.081 0.000 1.011 4758 T CA 0.788 62.840 62.100 -0.081 0.000 1.301 4758 T CB -0.724 68.132 68.868 -0.021 0.000 0.992 4758 T HN -0.553 7.529 8.240 -0.049 0.128 0.549 4759 S N 8.660 124.260 115.700 -0.166 0.000 2.555 4759 S HA -0.145 4.315 4.470 -0.016 0.000 0.230 4759 S C 0.673 175.303 174.600 0.051 0.000 0.978 4759 S CA 1.983 60.141 58.200 -0.070 0.000 0.934 4759 S CB -0.040 63.120 63.200 -0.067 0.000 0.766 4759 S HN 0.066 8.220 8.310 -0.261 0.000 0.533 4760 H N 0.947 120.068 119.070 0.085 0.000 2.536 4760 H HA 0.141 4.735 4.556 0.064 0.000 0.276 4760 H C 1.002 176.380 175.328 0.082 0.000 1.019 4760 H CA -1.015 55.087 56.048 0.090 0.000 1.159 4760 H CB -0.632 29.223 29.762 0.155 0.000 1.373 4760 H HN -0.416 7.685 8.280 -0.183 0.069 0.584 4761 L N 0.213 121.533 121.223 0.161 0.000 2.046 4761 L HA -0.241 4.263 4.340 0.155 -0.070 0.208 4761 L C 0.940 177.883 176.870 0.122 0.000 1.077 4761 L CA 2.520 57.444 54.840 0.139 0.000 0.747 4761 L CB 0.165 42.294 42.059 0.116 0.000 0.896 4761 L HN -0.774 7.426 8.230 0.118 0.100 0.432 4762 D N -1.834 118.627 120.400 0.102 0.000 2.924 4762 D HA -0.105 4.575 4.640 0.067 0.000 0.239 4762 D C -1.178 175.149 176.300 0.044 0.000 1.198 4762 D CA 0.636 54.678 54.000 0.070 0.000 0.958 4762 D CB -1.932 38.904 40.800 0.059 0.000 1.169 4762 D HN -0.230 8.204 8.370 0.107 0.000 0.438 4763 N N -2.044 116.678 118.700 0.037 0.000 2.620 4763 N HA -0.456 4.378 4.740 -0.042 -0.119 0.293 4763 N C -1.050 174.439 175.510 -0.035 0.000 1.178 4763 N CA 1.578 54.610 53.050 -0.029 0.000 0.750 4763 N CB -1.001 37.442 38.487 -0.073 0.000 0.949 4763 N HN 0.238 8.618 8.380 0.066 0.039 0.555 4764 T N -2.378 112.166 114.554 -0.017 0.000 2.965 4764 T HA 0.429 4.739 4.350 -0.066 0.000 0.306 4764 T C -2.608 172.012 174.700 -0.134 0.000 0.991 4764 T CA -3.178 58.886 62.100 -0.059 0.000 1.001 4764 T CB 1.959 70.815 68.868 -0.020 0.000 0.984 4764 T HN -0.569 7.687 8.240 0.026 0.000 0.446 4765 P HA -0.005 4.507 4.420 -0.176 -0.198 0.269 4765 P C -1.177 175.932 177.300 -0.320 0.000 1.263 4765 P CA -0.367 62.608 63.100 -0.208 0.000 0.813 4765 P CB 0.164 31.753 31.700 -0.184 0.000 0.868 4766 R N 3.491 123.729 120.500 -0.437 0.000 2.807 4766 R HA 0.363 4.455 4.340 -0.414 0.000 0.276 4766 R C -1.235 174.618 176.300 -0.745 0.000 0.979 4766 R CA -2.213 53.514 56.100 -0.622 0.000 0.928 4766 R CB 4.209 33.852 30.300 -1.095 0.000 1.191 4766 R HN 0.131 8.220 8.270 -0.302 0.000 0.471 4767 W N 0.400 121.399 121.300 -0.502 0.000 2.313 4767 W HA 0.358 5.115 4.660 -0.143 -0.183 0.328 4767 W C 0.179 176.370 176.519 -0.547 0.000 1.197 4767 W CA -1.001 56.141 57.345 -0.338 0.000 1.235 4767 W CB 1.264 30.640 29.460 -0.140 0.000 1.158 4767 W HN 0.154 8.275 8.180 -0.098 0.000 0.578 4768 Y N -0.700 119.779 120.300 0.298 0.000 2.442 4768 Y HA 0.354 5.021 4.550 0.196 0.000 0.344 4768 Y C -2.093 173.918 175.900 0.186 0.000 0.976 4768 Y CA -2.793 55.429 58.100 0.204 0.000 1.040 4768 Y CB 1.894 40.442 38.460 0.146 0.000 1.228 4768 Y HN 0.982 9.429 8.280 0.480 0.121 0.451 4769 P HA 0.041 4.638 4.420 0.157 -0.083 0.276 4769 P C -1.688 175.709 177.300 0.161 0.000 1.243 4769 P CA -0.122 63.084 63.100 0.176 0.000 0.768 4769 P CB 0.467 32.242 31.700 0.125 0.000 0.856 4770 L N 3.776 125.078 121.223 0.130 0.000 2.260 4770 L HA 0.101 4.647 4.340 0.116 -0.137 0.289 4770 L C -0.413 176.518 176.870 0.101 0.000 1.057 4770 L CA -0.594 54.308 54.840 0.103 0.000 0.811 4770 L CB -0.625 41.465 42.059 0.052 0.000 1.184 4770 L HN -0.430 7.873 8.230 0.122 0.000 0.429 4771 K N 2.203 122.680 120.400 0.129 0.000 2.419 4771 K HA 0.314 4.695 4.320 0.102 0.000 0.246 4771 K C -0.750 175.978 176.600 0.213 0.000 1.037 4771 K CA -2.224 54.139 56.287 0.126 0.000 0.982 4771 K CB 1.598 34.150 32.500 0.087 0.000 1.283 4771 K HN 0.625 8.843 8.250 0.133 0.111 0.500 4772 E N -1.421 118.862 120.200 0.139 0.000 2.283 4772 E HA -0.048 4.527 4.350 0.376 0.000 0.267 4772 E C -0.319 176.199 176.600 -0.136 0.000 1.045 4772 E CA -0.806 55.658 56.400 0.107 0.000 0.884 4772 E CB 1.187 30.920 29.700 0.056 0.000 1.106 4772 E HN 0.202 8.613 8.360 0.085 0.000 0.408 4773 Q N 1.643 121.149 119.800 -0.490 0.000 2.566 4773 Q HA 0.039 4.201 4.340 -0.296 0.000 0.221 4773 Q C -0.388 175.472 176.000 -0.233 0.000 1.195 4773 Q CA -0.455 55.072 55.803 -0.459 0.000 0.967 4773 Q CB -0.741 27.518 28.738 -0.798 0.000 1.337 4773 Q HN 0.118 7.970 8.270 -0.697 0.000 0.553 4774 T N 4.912 119.392 114.554 -0.123 0.000 2.888 4774 T HA -0.062 4.245 4.350 -0.071 0.000 0.301 4774 T C 0.183 174.851 174.700 -0.054 0.000 1.001 4774 T CA 1.208 63.265 62.100 -0.071 0.000 1.147 4774 T CB 0.470 69.314 68.868 -0.039 0.000 0.931 4774 T HN -0.169 8.009 8.240 -0.103 0.000 0.541 4775 E N 5.966 126.141 120.200 -0.041 0.000 2.916 4775 E HA 0.192 4.530 4.350 -0.020 0.000 0.217 4775 E C -0.897 175.695 176.600 -0.014 0.000 1.100 4775 E CA -0.396 55.990 56.400 -0.023 0.000 0.891 4775 E CB 0.289 29.978 29.700 -0.018 0.000 1.311 4775 E HN 0.388 8.723 8.360 -0.042 0.000 0.421 4776 S N 0.000 115.693 115.700 -0.011 0.000 2.498 4776 S HA 0.000 4.466 4.470 -0.007 0.000 0.327 4776 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 4776 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 4776 S HN 0.000 8.302 8.310 -0.013 0.000 0.517