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 1sg8_1_E DATA FIRST_RESID 16 DATA SEQUENCE IVEGSDAEIG MSPWQVMLFR SPQELLcGAS LISDRWVLTA AHcLTENDLL DATA SEQUENCE VRIGKHSRTR YANIEKISML EKIYIHPRYN WENLDRDIAL MKLKKPVAFS DATA SEQUENCE DYIHPVCLPD RETLLQAGYK GRVTGWGNLK ETWXGQPSVL QVVNLPIVER DATA SEQUENCE PVcKDSTRIR ITDNMFcAYK KRGDAcEGDS GGPFVMKSNN RWYQMGIVSW DATA SEQUENCE GEXGcRDGKY GFYTHVFRLK KWIQKVIDQF 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 16 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 16 I C 0.000 176.148 176.117 0.052 0.000 1.063 16 I CA 0.000 61.330 61.300 0.050 0.000 1.566 16 I CB 0.000 38.012 38.000 0.020 0.000 1.214 17 V N 5.586 125.538 119.914 0.063 0.000 2.427 17 V HA 0.453 4.573 4.120 0.001 0.000 0.286 17 V C 0.583 176.714 176.094 0.062 0.000 1.034 17 V CA -0.351 61.984 62.300 0.059 0.000 0.893 17 V CB 1.331 33.190 31.823 0.061 0.000 0.982 17 V HN 0.852 9.042 8.190 -0.000 0.000 0.452 18 E N 1.800 122.030 120.200 0.049 0.000 2.416 18 E HA -0.175 4.176 4.350 0.001 0.000 0.249 18 E C 0.468 177.098 176.600 0.051 0.000 1.124 18 E CA 1.002 57.430 56.400 0.047 0.000 0.732 18 E CB -1.188 28.544 29.700 0.054 0.000 1.286 18 E HN 0.992 9.352 8.360 -0.000 0.000 0.394 19 G N -0.352 108.472 108.800 0.040 0.000 2.828 19 G HA2 0.763 4.723 3.960 0.001 0.000 0.244 19 G HA3 0.763 4.723 3.960 0.001 0.000 0.244 19 G C -0.219 174.693 174.900 0.019 0.000 1.365 19 G CA 0.302 45.421 45.100 0.031 0.000 1.041 19 G HN 0.350 8.640 8.290 -0.000 0.000 0.560 20 S N -1.105 114.599 115.700 0.007 0.000 2.596 20 S HA 0.458 4.928 4.470 0.001 0.000 0.270 20 S C -1.674 172.922 174.600 -0.007 0.000 1.155 20 S CA -0.936 57.267 58.200 0.006 0.000 0.827 20 S CB 1.911 65.118 63.200 0.012 0.000 1.130 20 S HN 0.425 8.735 8.310 -0.000 0.000 0.467 21 D N 1.556 121.959 120.400 0.004 0.000 2.488 21 D HA 0.423 5.064 4.640 0.001 0.000 0.238 21 D C 0.460 176.766 176.300 0.009 0.000 1.138 21 D CA 0.548 54.552 54.000 0.007 0.000 0.873 21 D CB 0.660 41.486 40.800 0.044 0.000 1.183 21 D HN 0.844 9.214 8.370 -0.000 0.000 0.458 22 A N 2.846 125.664 122.820 -0.003 0.000 2.340 22 A HA 0.206 4.526 4.320 0.001 0.000 0.268 22 A C 0.453 178.101 177.584 0.107 0.000 1.100 22 A CA -0.428 51.609 52.037 0.000 0.000 0.803 22 A CB 0.419 19.371 19.000 -0.079 0.000 1.043 22 A HN 0.513 8.663 8.150 -0.000 0.000 0.488 23 E N 0.630 120.848 120.200 0.030 0.000 2.343 23 E HA 0.279 4.630 4.350 0.001 0.000 0.269 23 E C -0.657 175.934 176.600 -0.015 0.000 1.047 23 E CA -0.535 55.870 56.400 0.008 0.000 0.874 23 E CB 0.792 30.478 29.700 -0.023 0.000 1.033 23 E HN 0.519 8.879 8.360 -0.000 0.000 0.409 24 I N 2.115 122.620 120.570 -0.109 0.000 2.826 24 I HA -0.081 4.089 4.170 0.001 0.000 0.295 24 I C 1.516 177.629 176.117 -0.007 0.000 1.213 24 I CA 1.661 62.882 61.300 -0.131 0.000 1.436 24 I CB -0.069 37.831 38.000 -0.167 0.000 1.348 24 I HN 0.844 9.054 8.210 -0.000 0.000 0.570 25 G N 4.997 113.827 108.800 0.049 0.000 2.189 25 G HA2 -0.385 3.576 3.960 0.001 0.000 0.267 25 G HA3 -0.385 3.576 3.960 0.001 0.000 0.267 25 G C 1.115 175.880 174.900 -0.225 0.000 0.975 25 G CA 0.614 45.682 45.100 -0.053 0.000 0.644 25 G HN 0.652 8.942 8.290 -0.000 0.000 0.537 26 M N 0.216 119.695 119.600 -0.202 0.000 2.460 26 M HA 0.213 4.694 4.480 0.001 0.000 0.263 26 M C 1.261 177.259 176.300 -0.504 0.000 1.071 26 M CA 1.928 57.059 55.300 -0.281 0.000 1.096 26 M CB 0.167 32.662 32.600 -0.176 0.000 1.408 26 M HN 0.346 8.636 8.290 -0.000 0.000 0.463 27 S N 0.515 115.875 115.700 -0.568 0.000 2.407 27 S HA 0.319 4.789 4.470 0.001 0.000 0.166 27 S C -1.926 172.070 174.600 -1.007 0.000 1.445 27 S CA -1.109 56.561 58.200 -0.883 0.000 1.260 27 S CB 0.549 63.457 63.200 -0.487 0.000 1.401 27 S HN 0.243 8.553 8.310 -0.000 0.000 0.379 28 P HA -0.027 4.393 4.420 -0.000 0.000 0.229 28 P C 0.478 177.524 177.300 -0.422 0.000 1.150 28 P CA 0.702 63.414 63.100 -0.647 0.000 0.765 28 P CB -0.329 31.065 31.700 -0.510 0.000 0.783 29 W N -1.313 119.967 121.300 -0.035 0.000 3.127 29 W HA 0.488 5.148 4.660 0.000 0.000 0.344 29 W C 0.521 177.055 176.519 0.025 0.000 1.151 29 W CA -0.801 56.531 57.345 -0.022 0.000 1.765 29 W CB -1.309 28.119 29.460 -0.054 0.000 1.085 29 W HN -0.182 7.998 8.180 -0.000 0.000 0.596 30 Q N 2.216 122.022 119.800 0.010 0.000 2.311 30 Q HA 0.343 4.683 4.340 0.001 0.000 0.272 30 Q C -0.703 175.420 176.000 0.205 0.000 1.012 30 Q CA 0.284 56.146 55.803 0.098 0.000 0.891 30 Q CB 0.967 29.655 28.738 -0.083 0.000 1.201 30 Q HN 0.118 8.388 8.270 -0.000 0.000 0.391 31 V N 5.247 125.318 119.914 0.263 0.000 2.823 31 V HA 0.474 4.595 4.120 0.001 0.000 0.312 31 V C -0.523 175.787 176.094 0.360 0.000 1.072 31 V CA -0.906 61.562 62.300 0.280 0.000 0.937 31 V CB 1.994 33.950 31.823 0.222 0.000 1.013 31 V HN 0.930 9.120 8.190 -0.000 0.000 0.430 32 M N 4.422 124.197 119.600 0.292 0.000 2.167 32 M HA 0.576 5.056 4.480 0.001 0.000 0.333 32 M C -1.454 174.952 176.300 0.177 0.000 1.030 32 M CA -0.609 54.830 55.300 0.232 0.000 0.963 32 M CB 1.289 33.851 32.600 -0.064 0.000 1.589 32 M HN 0.656 8.946 8.290 -0.000 0.000 0.431 33 L N 5.660 126.998 121.223 0.192 0.000 2.261 33 L HA 0.453 4.793 4.340 0.001 0.000 0.289 33 L C -1.609 175.383 176.870 0.203 0.000 1.059 33 L CA -0.289 54.649 54.840 0.163 0.000 0.816 33 L CB 0.492 42.622 42.059 0.118 0.000 1.191 33 L HN 0.679 8.909 8.230 -0.000 0.000 0.431 34 F N 5.225 125.172 119.950 -0.005 0.000 2.443 34 F HA 0.515 5.044 4.527 0.002 0.000 0.335 34 F C 0.430 176.216 175.800 -0.024 0.000 1.104 34 F CA -0.525 57.458 58.000 -0.029 0.000 1.013 34 F CB 1.294 40.264 39.000 -0.050 0.000 1.136 34 F HN 0.473 8.773 8.300 -0.000 0.000 0.470 35 R N 1.546 121.743 120.500 -0.505 0.000 2.523 35 R HA 0.380 4.720 4.340 0.001 0.000 0.229 35 R C -0.283 175.775 176.300 -0.404 0.000 1.265 35 R CA -0.569 55.319 56.100 -0.354 0.000 1.081 35 R CB 0.878 30.984 30.300 -0.325 0.000 1.540 35 R HN 0.621 8.891 8.270 -0.000 0.000 0.560 36 S N 1.268 116.901 115.700 -0.112 0.000 2.506 36 S HA 0.134 4.605 4.470 0.001 0.000 0.291 36 S C -2.087 172.452 174.600 -0.100 0.000 1.230 36 S CA -1.285 56.858 58.200 -0.094 0.000 1.107 36 S CB 0.061 63.226 63.200 -0.059 0.000 0.942 36 S HN 0.299 8.609 8.310 -0.000 0.000 0.502 37 P HA 0.209 4.629 4.420 -0.000 0.000 0.274 37 P C -0.754 176.423 177.300 -0.206 0.000 1.231 37 P CA -0.481 62.548 63.100 -0.118 0.000 0.790 37 P CB 0.354 31.998 31.700 -0.094 0.000 0.951 38 Q N 1.553 121.242 119.800 -0.184 0.000 2.239 38 Q HA 0.083 4.423 4.340 0.001 0.000 0.286 38 Q C 0.109 175.826 176.000 -0.473 0.000 1.102 38 Q CA 0.873 56.479 55.803 -0.329 0.000 0.936 38 Q CB 0.146 28.900 28.738 0.026 0.000 1.127 38 Q HN 0.410 8.680 8.270 -0.000 0.000 0.380 39 E N 3.189 122.806 120.200 -0.972 0.000 2.375 39 E HA 0.244 4.594 4.350 0.001 0.000 0.280 39 E C -1.719 174.496 176.600 -0.641 0.000 0.972 39 E CA -0.734 55.319 56.400 -0.579 0.000 0.782 39 E CB 1.332 30.852 29.700 -0.299 0.000 1.229 39 E HN 0.548 8.908 8.360 -0.000 0.000 0.439 40 L N 6.283 127.423 121.223 -0.138 0.000 2.315 40 L HA 0.240 4.581 4.340 0.001 0.000 0.283 40 L C 0.145 177.023 176.870 0.014 0.000 1.089 40 L CA -0.202 54.682 54.840 0.074 0.000 0.833 40 L CB 0.280 42.425 42.059 0.142 0.000 1.170 40 L HN 0.800 9.030 8.230 -0.000 0.000 0.442 41 L N 4.685 125.918 121.223 0.017 0.000 2.116 41 L HA 0.123 4.464 4.340 0.001 0.000 0.200 41 L C 0.597 177.508 176.870 0.069 0.000 1.084 41 L CA 0.517 55.367 54.840 0.016 0.000 0.766 41 L CB 0.145 42.197 42.059 -0.010 0.000 0.930 41 L HN 0.629 8.859 8.230 -0.000 0.000 0.453 42 c N -2.194 116.465 118.600 0.100 0.000 3.275 42 c HA 0.701 5.271 4.570 0.001 0.000 0.373 42 c C 0.275 174.480 174.090 0.192 0.000 1.934 42 c CA -0.788 55.614 56.329 0.122 0.000 1.228 42 c CB 1.082 43.623 42.510 0.051 0.000 2.317 42 c HN 0.442 8.672 8.230 -0.000 0.000 0.437 43 G N -0.331 108.581 108.800 0.186 0.000 2.537 43 G HA2 0.880 4.840 3.960 0.001 0.000 0.323 43 G HA3 0.880 4.840 3.960 0.001 0.000 0.323 43 G C -1.014 173.998 174.900 0.187 0.000 1.207 43 G CA 0.346 45.584 45.100 0.231 0.000 0.976 43 G HN 1.527 9.817 8.290 -0.000 0.000 0.487 44 A N -0.497 122.449 122.820 0.208 0.000 2.540 44 A HA 0.859 5.179 4.320 0.001 0.000 0.291 44 A C -0.500 177.214 177.584 0.216 0.000 1.083 44 A CA 0.071 52.224 52.037 0.194 0.000 0.650 44 A CB 1.084 20.192 19.000 0.181 0.000 1.292 44 A HN 2.096 10.246 8.150 -0.000 0.000 0.435 45 S N 0.218 116.046 115.700 0.214 0.000 2.547 45 S HA 0.664 5.134 4.470 0.001 0.000 0.281 45 S C -0.886 173.846 174.600 0.219 0.000 1.118 45 S CA -0.671 57.670 58.200 0.235 0.000 0.947 45 S CB 1.605 64.931 63.200 0.210 0.000 1.053 45 S HN 1.401 9.711 8.310 -0.000 0.000 0.482 46 L N 4.866 126.231 121.223 0.236 0.000 2.325 46 L HA 0.422 4.762 4.340 0.001 0.000 0.284 46 L C 0.555 177.511 176.870 0.142 0.000 1.089 46 L CA -0.371 54.588 54.840 0.199 0.000 0.836 46 L CB 0.212 42.381 42.059 0.185 0.000 1.184 46 L HN 1.026 9.256 8.230 -0.000 0.000 0.444 47 I N 1.217 121.877 120.570 0.149 0.000 4.035 47 I HA 0.238 4.408 4.170 0.001 0.000 0.321 47 I C 0.717 176.895 176.117 0.103 0.000 1.289 47 I CA -0.045 61.306 61.300 0.084 0.000 1.236 47 I CB 0.780 38.834 38.000 0.089 0.000 1.076 47 I HN 0.529 8.739 8.210 -0.000 0.000 0.418 48 S N 1.038 116.869 115.700 0.218 0.000 2.705 48 S HA 0.210 4.681 4.470 0.001 0.000 0.280 48 S C 0.050 174.878 174.600 0.380 0.000 1.174 48 S CA -0.025 58.352 58.200 0.296 0.000 0.823 48 S CB 1.367 64.814 63.200 0.411 0.000 1.162 48 S HN 0.436 8.746 8.310 -0.000 0.000 0.487 49 D N 0.293 120.952 120.400 0.433 0.000 2.347 49 D HA 0.004 4.644 4.640 0.001 0.000 0.215 49 D C 0.954 177.378 176.300 0.206 0.000 0.976 49 D CA 0.464 54.692 54.000 0.379 0.000 0.884 49 D CB 0.042 40.922 40.800 0.134 0.000 0.915 49 D HN 0.487 8.857 8.370 -0.000 0.000 0.526 50 R N -1.664 118.948 120.500 0.188 0.000 2.541 50 R HA 0.198 4.538 4.340 0.001 0.000 0.332 50 R C -0.633 175.550 176.300 -0.195 0.000 0.951 50 R CA -0.384 55.695 56.100 -0.034 0.000 1.136 50 R CB 0.582 30.795 30.300 -0.144 0.000 1.449 50 R HN 0.020 8.290 8.270 -0.000 0.000 0.531 51 W N 0.788 122.171 121.300 0.138 0.000 2.656 51 W HA 0.503 5.163 4.660 -0.000 0.000 0.327 51 W C -0.616 175.976 176.519 0.122 0.000 1.041 51 W CA -0.712 56.707 57.345 0.124 0.000 1.229 51 W CB 1.793 31.306 29.460 0.089 0.000 1.397 51 W HN -0.349 7.831 8.180 -0.000 0.000 0.479 52 V N 4.982 125.118 119.914 0.369 0.000 2.487 52 V HA 0.414 4.534 4.120 0.001 0.000 0.298 52 V C -0.731 175.536 176.094 0.287 0.000 1.028 52 V CA -1.042 61.424 62.300 0.276 0.000 0.860 52 V CB 1.422 33.368 31.823 0.205 0.000 0.991 52 V HN 0.372 8.562 8.190 -0.000 0.000 0.427 53 L N 4.454 125.823 121.223 0.244 0.000 2.322 53 L HA 0.906 5.247 4.340 0.001 0.000 0.279 53 L C 0.027 177.018 176.870 0.202 0.000 1.036 53 L CA 1.008 55.987 54.840 0.231 0.000 0.807 53 L CB 1.880 44.060 42.059 0.203 0.000 1.226 53 L HN 0.881 9.111 8.230 -0.000 0.000 0.433 54 T N 2.573 117.240 114.554 0.188 0.000 2.661 54 T HA 0.748 5.099 4.350 0.001 0.000 0.305 54 T C -1.530 173.225 174.700 0.092 0.000 1.441 54 T CA -0.057 62.124 62.100 0.135 0.000 0.999 54 T CB 0.893 69.826 68.868 0.108 0.000 1.650 54 T HN 0.889 9.129 8.240 -0.000 0.000 0.489 55 A N 0.726 123.554 122.820 0.013 0.000 2.331 55 A HA 0.722 5.043 4.320 0.001 0.000 0.283 55 A C 1.508 178.991 177.584 -0.167 0.000 1.142 55 A CA 0.316 52.323 52.037 -0.050 0.000 0.812 55 A CB 0.290 19.246 19.000 -0.073 0.000 1.074 55 A HN 1.249 9.399 8.150 -0.000 0.000 0.497 56 A N 1.504 124.178 122.820 -0.243 0.000 1.940 56 A HA -0.179 4.142 4.320 0.001 0.000 0.219 56 A C 1.813 179.173 177.584 -0.374 0.000 1.176 56 A CA 1.832 53.579 52.037 -0.482 0.000 0.631 56 A CB -1.016 17.267 19.000 -1.195 0.000 0.814 56 A HN 1.113 9.263 8.150 -0.000 0.000 0.446 57 H N -1.628 117.346 119.070 -0.159 0.000 2.543 57 H HA -0.078 4.478 4.556 0.000 0.000 0.286 57 H C 1.800 177.161 175.328 0.055 0.000 1.037 57 H CA 1.377 57.489 56.048 0.106 0.000 1.250 57 H CB -0.797 29.095 29.762 0.216 0.000 1.373 57 H HN 0.428 8.708 8.280 -0.000 0.000 0.580 58 c N 1.114 119.447 118.600 -0.445 0.000 2.450 58 c HA 0.179 4.749 4.570 0.001 0.000 0.279 58 c C 1.603 175.636 174.090 -0.095 0.000 1.335 58 c CA -0.131 56.035 56.329 -0.271 0.000 1.749 58 c CB -0.598 41.766 42.510 -0.244 0.000 1.963 58 c HN 0.337 8.567 8.230 -0.000 0.000 0.501 59 L N 0.281 121.457 121.223 -0.077 0.000 2.365 59 L HA 0.396 4.736 4.340 0.001 0.000 0.267 59 L C 0.481 177.339 176.870 -0.019 0.000 1.033 59 L CA -0.207 54.612 54.840 -0.034 0.000 0.802 59 L CB 0.729 42.777 42.059 -0.018 0.000 1.267 59 L HN 0.073 8.303 8.230 -0.000 0.000 0.457 60 T N -2.474 112.064 114.554 -0.027 0.000 2.902 60 T HA 0.178 4.528 4.350 0.001 0.000 0.280 60 T C 0.752 175.435 174.700 -0.028 0.000 0.992 60 T CA -0.754 61.330 62.100 -0.028 0.000 1.015 60 T CB 1.453 70.305 68.868 -0.027 0.000 1.044 60 T HN 0.457 8.697 8.240 -0.000 0.000 0.520 61 E N 0.888 121.067 120.200 -0.034 0.000 2.136 61 E HA -0.222 4.128 4.350 0.001 0.000 0.202 61 E C 1.954 178.540 176.600 -0.023 0.000 1.019 61 E CA 1.282 57.662 56.400 -0.033 0.000 0.819 61 E CB -0.294 29.379 29.700 -0.045 0.000 0.739 61 E HN 0.565 8.925 8.360 -0.000 0.000 0.458 62 N N 0.361 119.047 118.700 -0.024 0.000 2.244 62 N HA -0.128 4.612 4.740 0.001 0.000 0.183 62 N C 0.607 176.106 175.510 -0.019 0.000 1.016 62 N CA 1.015 54.053 53.050 -0.020 0.000 0.866 62 N CB 0.047 38.521 38.487 -0.021 0.000 0.980 62 N HN 0.182 8.562 8.380 -0.000 0.000 0.430 63 D N 0.360 120.745 120.400 -0.024 0.000 2.348 63 D HA 0.032 4.673 4.640 0.001 0.000 0.216 63 D C 0.571 176.853 176.300 -0.030 0.000 0.970 63 D CA 0.467 54.448 54.000 -0.032 0.000 0.889 63 D CB 0.571 41.348 40.800 -0.039 0.000 0.912 63 D HN 0.322 8.692 8.370 -0.000 0.000 0.524 64 L N -0.042 121.174 121.223 -0.012 0.000 2.301 64 L HA 0.561 4.901 4.340 0.001 0.000 0.264 64 L C -0.294 176.599 176.870 0.037 0.000 1.016 64 L CA -0.891 53.953 54.840 0.008 0.000 0.821 64 L CB 2.184 44.251 42.059 0.012 0.000 1.346 64 L HN -0.272 7.958 8.230 -0.000 0.000 0.429 65 L N 0.691 121.963 121.223 0.082 0.000 2.376 65 L HA 0.638 4.979 4.340 0.001 0.000 0.258 65 L C -1.210 175.731 176.870 0.118 0.000 1.013 65 L CA -0.907 53.993 54.840 0.100 0.000 0.822 65 L CB 2.952 45.095 42.059 0.140 0.000 1.388 65 L HN 0.217 8.447 8.230 -0.000 0.000 0.413 66 V N 2.442 122.409 119.914 0.089 0.000 2.378 66 V HA 0.446 4.567 4.120 0.001 0.000 0.288 66 V C -0.397 175.741 176.094 0.073 0.000 1.016 66 V CA -0.546 61.811 62.300 0.095 0.000 0.840 66 V CB 1.659 33.537 31.823 0.091 0.000 0.994 66 V HN 0.632 8.822 8.190 -0.000 0.000 0.431 67 R N 5.824 126.359 120.500 0.058 0.000 2.229 67 R HA 0.680 5.021 4.340 0.001 0.000 0.332 67 R C -0.943 175.396 176.300 0.067 0.000 0.989 67 R CA -0.346 55.760 56.100 0.010 0.000 0.842 67 R CB 1.467 31.693 30.300 -0.123 0.000 1.119 67 R HN 0.589 8.859 8.270 -0.000 0.000 0.456 68 I N 0.458 121.080 120.570 0.087 0.000 2.562 68 I HA 0.405 4.576 4.170 0.001 0.000 0.301 68 I C 1.094 177.282 176.117 0.118 0.000 1.003 68 I CA -0.592 60.784 61.300 0.128 0.000 1.127 68 I CB 2.052 40.137 38.000 0.142 0.000 1.304 68 I HN 0.864 9.074 8.210 -0.000 0.000 0.446 69 G N 3.167 112.052 108.800 0.141 0.000 2.159 69 G HA2 -0.230 3.730 3.960 0.001 0.000 0.256 69 G HA3 -0.230 3.730 3.960 0.001 0.000 0.256 69 G C 0.236 175.205 174.900 0.115 0.000 0.977 69 G CA -0.251 44.928 45.100 0.132 0.000 0.652 69 G HN 0.604 8.894 8.290 -0.000 0.000 0.531 70 K N -1.098 119.400 120.400 0.165 0.000 2.219 70 K HA 0.506 4.826 4.320 0.001 0.000 0.258 70 K C 0.866 177.687 176.600 0.369 0.000 1.008 70 K CA 0.196 56.587 56.287 0.174 0.000 0.928 70 K CB 0.760 33.268 32.500 0.012 0.000 0.983 70 K HN 0.405 8.655 8.250 -0.000 0.000 0.484 71 H N -0.857 118.341 119.070 0.214 0.000 2.312 71 H HA 0.156 4.712 4.556 0.001 0.000 0.215 71 H C -0.139 175.391 175.328 0.337 0.000 0.870 71 H CA 0.101 56.291 56.048 0.236 0.000 0.982 71 H CB 0.632 30.421 29.762 0.045 0.000 1.330 71 H HN 0.404 8.684 8.280 -0.000 0.000 0.399 72 S N 0.703 116.469 115.700 0.109 0.000 2.525 72 S HA 0.236 4.706 4.470 0.001 0.000 0.278 72 S C 1.221 175.762 174.600 -0.098 0.000 1.234 72 S CA -0.537 57.681 58.200 0.031 0.000 1.058 72 S CB 1.073 64.297 63.200 0.040 0.000 0.983 72 S HN 0.504 8.814 8.310 -0.000 0.000 0.495 73 R N 1.761 122.179 120.500 -0.136 0.000 2.070 73 R HA -0.096 4.245 4.340 0.001 0.000 0.233 73 R C 2.090 178.198 176.300 -0.321 0.000 1.137 73 R CA 2.419 58.250 56.100 -0.447 0.000 0.945 73 R CB -0.707 29.490 30.300 -0.172 0.000 0.845 73 R HN 0.876 9.146 8.270 -0.000 0.000 0.430 74 T N -1.330 113.136 114.554 -0.147 0.000 2.904 74 T HA 0.098 4.449 4.350 0.001 0.000 0.243 74 T C 0.808 175.460 174.700 -0.079 0.000 1.024 74 T CA -0.252 61.790 62.100 -0.097 0.000 1.158 74 T CB -0.268 68.579 68.868 -0.035 0.000 0.867 74 T HN 0.152 8.392 8.240 -0.000 0.000 0.429 75 R N 1.261 121.734 120.500 -0.046 0.000 2.619 75 R HA 0.155 4.496 4.340 0.001 0.000 0.268 75 R C -0.043 176.257 176.300 -0.001 0.000 0.990 75 R CA -0.206 55.886 56.100 -0.015 0.000 1.092 75 R CB 0.038 30.329 30.300 -0.015 0.000 0.935 75 R HN 0.468 8.738 8.270 -0.000 0.000 0.415 76 Y N 1.154 121.387 120.300 -0.111 0.000 2.486 76 Y HA 0.534 5.085 4.550 0.001 0.000 0.356 76 Y C -0.588 175.253 175.900 -0.098 0.000 1.330 76 Y CA -1.084 56.939 58.100 -0.128 0.000 1.557 76 Y CB 1.038 39.428 38.460 -0.116 0.000 1.647 76 Y HN 0.703 8.983 8.280 -0.000 0.000 0.585 77 A N 1.975 124.173 122.820 -1.038 0.000 2.572 77 A HA 0.355 4.675 4.320 0.001 0.000 0.303 77 A C -1.067 176.302 177.584 -0.358 0.000 1.059 77 A CA -0.361 51.157 52.037 -0.866 0.000 0.788 77 A CB 0.049 18.622 19.000 -0.712 0.000 1.282 77 A HN 0.901 9.051 8.150 -0.000 0.000 0.397 78 N N 0.376 118.952 118.700 -0.207 0.000 2.740 78 N HA -0.165 4.576 4.740 0.001 0.000 0.248 78 N C 0.284 175.733 175.510 -0.102 0.000 1.062 78 N CA 1.736 54.725 53.050 -0.102 0.000 0.704 78 N CB -0.885 37.556 38.487 -0.076 0.000 0.968 78 N HN 0.810 9.190 8.380 -0.000 0.000 0.547 79 I N -1.638 118.858 120.570 -0.124 0.000 5.347 79 I HA -0.031 4.139 4.170 0.001 0.000 0.346 79 I C 0.492 176.558 176.117 -0.085 0.000 1.177 79 I CA -0.030 61.178 61.300 -0.154 0.000 1.553 79 I CB 0.363 38.186 38.000 -0.295 0.000 1.757 79 I HN 0.156 8.366 8.210 -0.000 0.000 0.603 80 E N 2.070 122.216 120.200 -0.091 0.000 2.281 80 E HA 0.608 4.958 4.350 0.001 0.000 0.262 80 E C -0.761 175.851 176.600 0.020 0.000 0.933 80 E CA -0.856 55.531 56.400 -0.021 0.000 0.809 80 E CB 2.563 32.237 29.700 -0.044 0.000 1.242 80 E HN -0.232 8.128 8.360 -0.000 0.000 0.418 81 K N 1.882 122.318 120.400 0.060 0.000 2.507 81 K HA 0.381 4.701 4.320 0.001 0.000 0.251 81 K C -1.535 175.107 176.600 0.071 0.000 0.943 81 K CA -0.934 55.397 56.287 0.073 0.000 0.794 81 K CB 1.572 34.121 32.500 0.081 0.000 1.188 81 K HN 0.554 8.804 8.250 -0.000 0.000 0.428 82 I N 1.981 122.592 120.570 0.068 0.000 2.342 82 I HA 0.273 4.444 4.170 0.001 0.000 0.291 82 I C 0.046 176.188 176.117 0.041 0.000 1.010 82 I CA 0.229 61.555 61.300 0.044 0.000 1.308 82 I CB 1.357 39.370 38.000 0.023 0.000 1.400 82 I HN 0.353 8.563 8.210 -0.000 0.000 0.488 83 S N 6.506 122.231 115.700 0.042 0.000 2.526 83 S HA 0.648 5.119 4.470 0.001 0.000 0.293 83 S C -0.269 174.346 174.600 0.025 0.000 1.092 83 S CA -0.865 57.355 58.200 0.033 0.000 0.980 83 S CB 1.737 64.961 63.200 0.041 0.000 1.048 83 S HN 0.430 8.740 8.310 -0.000 0.000 0.483 84 M N 2.154 121.760 119.600 0.009 0.000 2.227 84 M HA 0.427 4.907 4.480 0.001 0.000 0.316 84 M C -0.884 175.410 176.300 -0.010 0.000 1.144 84 M CA -0.315 54.986 55.300 0.001 0.000 1.121 84 M CB 0.413 33.008 32.600 -0.009 0.000 1.440 84 M HN 0.393 8.683 8.290 -0.000 0.000 0.473 85 L N 1.341 122.556 121.223 -0.013 0.000 2.272 85 L HA 0.239 4.579 4.340 0.001 0.000 0.289 85 L C 0.915 177.756 176.870 -0.048 0.000 1.032 85 L CA -0.238 54.586 54.840 -0.027 0.000 0.810 85 L CB 1.268 43.320 42.059 -0.013 0.000 1.205 85 L HN 0.794 9.024 8.230 -0.000 0.000 0.422 86 E N 2.963 123.120 120.200 -0.072 0.000 2.051 86 E HA 0.010 4.361 4.350 0.001 0.000 0.189 86 E C 0.310 176.860 176.600 -0.083 0.000 0.979 86 E CA 1.048 57.402 56.400 -0.077 0.000 0.803 86 E CB 0.606 30.246 29.700 -0.099 0.000 0.761 86 E HN 0.288 8.648 8.360 -0.000 0.000 0.451 87 K N 0.121 120.459 120.400 -0.104 0.000 2.532 87 K HA 0.425 4.745 4.320 0.001 0.000 0.265 87 K C -1.573 174.896 176.600 -0.219 0.000 0.948 87 K CA -0.714 55.456 56.287 -0.196 0.000 0.842 87 K CB 1.694 34.038 32.500 -0.260 0.000 1.392 87 K HN 0.120 8.370 8.250 -0.000 0.000 0.436 88 I N 3.026 123.415 120.570 -0.302 0.000 2.406 88 I HA 0.326 4.496 4.170 0.001 0.000 0.290 88 I C -1.000 174.955 176.117 -0.270 0.000 0.999 88 I CA -0.922 60.290 61.300 -0.147 0.000 1.124 88 I CB 1.167 39.137 38.000 -0.051 0.000 1.289 88 I HN 0.415 8.625 8.210 -0.000 0.000 0.441 89 Y N 6.618 127.062 120.300 0.241 0.000 2.338 89 Y HA 0.526 5.078 4.550 0.003 0.000 0.328 89 Y C -0.109 176.025 175.900 0.390 0.000 0.965 89 Y CA -0.526 57.762 58.100 0.313 0.000 1.208 89 Y CB 1.330 39.989 38.460 0.333 0.000 1.132 89 Y HN 0.324 8.604 8.280 -0.000 0.000 0.469 90 I N 3.476 124.297 120.570 0.418 0.000 2.377 90 I HA 0.185 4.355 4.170 0.001 0.000 0.293 90 I C 0.205 176.465 176.117 0.238 0.000 0.987 90 I CA -0.985 60.479 61.300 0.274 0.000 1.185 90 I CB 0.943 39.040 38.000 0.161 0.000 1.341 90 I HN 0.581 8.791 8.210 -0.000 0.000 0.455 91 H N 8.752 127.684 119.070 -0.231 0.000 3.094 91 H HA 0.022 4.578 4.556 0.000 0.000 0.320 91 H C -1.625 173.618 175.328 -0.142 0.000 1.000 91 H CA -1.047 54.623 56.048 -0.631 0.000 1.413 91 H CB 1.281 30.430 29.762 -1.021 0.000 1.405 91 H HN 0.392 8.672 8.280 -0.000 0.000 0.586 92 P HA -0.103 4.317 4.420 -0.000 0.000 0.220 92 P C 0.470 177.910 177.300 0.232 0.000 1.148 92 P CA 1.205 64.396 63.100 0.152 0.000 0.803 92 P CB 0.326 32.064 31.700 0.064 0.000 0.782 93 R N -1.215 119.523 120.500 0.395 0.000 2.586 93 R HA 0.136 4.476 4.340 0.001 0.000 0.306 93 R C 0.197 176.508 176.300 0.019 0.000 1.079 93 R CA -0.662 55.514 56.100 0.126 0.000 1.083 93 R CB -0.457 29.882 30.300 0.065 0.000 1.306 93 R HN 0.184 8.454 8.270 -0.000 0.000 0.567 94 Y N 1.590 121.874 120.300 -0.026 0.000 2.442 94 Y HA 0.085 4.635 4.550 -0.001 0.000 0.330 94 Y C -0.211 175.681 175.900 -0.014 0.000 1.129 94 Y CA -0.823 57.249 58.100 -0.046 0.000 1.365 94 Y CB 0.397 38.883 38.460 0.044 0.000 1.233 94 Y HN -0.095 8.185 8.280 -0.000 0.000 0.529 95 N N 8.265 126.733 118.700 -0.386 0.000 2.707 95 N HA 0.063 4.803 4.740 0.001 0.000 0.235 95 N C -0.112 174.994 175.510 -0.672 0.000 1.028 95 N CA -0.607 52.106 53.050 -0.561 0.000 0.906 95 N CB 0.067 38.348 38.487 -0.344 0.000 1.131 95 N HN 0.903 9.283 8.380 -0.000 0.000 0.509 96 W N 3.464 124.218 121.300 -0.910 0.000 3.435 96 W HA 0.132 4.792 4.660 -0.000 0.000 0.303 96 W C 0.540 176.875 176.519 -0.306 0.000 1.297 96 W CA -0.378 56.628 57.345 -0.564 0.000 1.638 96 W CB -0.843 28.364 29.460 -0.421 0.000 1.015 96 W HN 0.468 8.648 8.180 -0.000 0.000 0.760 97 E N 2.246 122.208 120.200 -0.397 0.000 2.535 97 E HA -0.350 4.000 4.350 0.001 0.000 0.249 97 E C 0.972 177.368 176.600 -0.341 0.000 1.106 97 E CA 2.777 58.987 56.400 -0.317 0.000 1.212 97 E CB -0.402 29.131 29.700 -0.279 0.000 1.058 97 E HN 0.491 8.851 8.360 -0.000 0.000 0.469 98 N N -1.989 116.498 118.700 -0.354 0.000 2.073 98 N HA 0.112 4.852 4.740 0.001 0.000 0.227 98 N C -0.086 175.180 175.510 -0.406 0.000 1.367 98 N CA 0.069 52.847 53.050 -0.453 0.000 0.775 98 N CB -0.201 38.099 38.487 -0.312 0.000 1.234 98 N HN 0.151 8.531 8.380 -0.000 0.000 0.512 99 L N -0.112 120.960 121.223 -0.252 0.000 3.865 99 L HA -0.251 4.090 4.340 0.001 0.000 0.408 99 L C -0.515 176.433 176.870 0.130 0.000 1.209 99 L CA 0.774 55.620 54.840 0.010 0.000 0.940 99 L CB -1.705 40.357 42.059 0.005 0.000 1.971 99 L HN 0.315 8.545 8.230 -0.000 0.000 0.899 100 D N 1.333 121.741 120.400 0.013 0.000 2.455 100 D HA 0.170 4.811 4.640 0.001 0.000 0.241 100 D C 0.987 177.328 176.300 0.069 0.000 1.138 100 D CA 0.398 54.417 54.000 0.033 0.000 0.877 100 D CB 0.449 41.217 40.800 -0.052 0.000 1.187 100 D HN 0.201 8.571 8.370 -0.000 0.000 0.451 101 R N 1.732 122.243 120.500 0.017 0.000 3.422 101 R HA -0.218 4.122 4.340 0.001 0.000 0.267 101 R C -0.735 175.565 176.300 -0.000 0.000 1.074 101 R CA 0.582 56.615 56.100 -0.112 0.000 0.718 101 R CB -1.772 28.264 30.300 -0.442 0.000 1.157 101 R HN 0.512 8.782 8.270 -0.000 0.000 0.440 102 D N 1.452 121.929 120.400 0.129 0.000 2.489 102 D HA 0.277 4.917 4.640 0.001 0.000 0.237 102 D C -0.056 176.242 176.300 -0.003 0.000 1.212 102 D CA 0.308 54.364 54.000 0.094 0.000 1.058 102 D CB 0.062 41.036 40.800 0.289 0.000 1.098 102 D HN 0.401 8.771 8.370 -0.000 0.000 0.509 103 I N 0.922 121.424 120.570 -0.113 0.000 2.827 103 I HA 0.688 4.858 4.170 0.001 0.000 0.298 103 I C -1.880 174.252 176.117 0.024 0.000 1.235 103 I CA -0.660 60.643 61.300 0.005 0.000 1.021 103 I CB 1.799 39.857 38.000 0.097 0.000 1.259 103 I HN 0.277 8.487 8.210 -0.000 0.000 0.427 104 A N 6.931 129.874 122.820 0.205 0.000 2.594 104 A HA 0.782 5.103 4.320 0.001 0.000 0.295 104 A C -2.102 175.739 177.584 0.428 0.000 1.071 104 A CA -0.539 51.701 52.037 0.337 0.000 0.685 104 A CB 1.716 20.807 19.000 0.152 0.000 1.285 104 A HN 0.647 8.797 8.150 -0.000 0.000 0.405 105 L N 1.106 122.650 121.223 0.535 0.000 2.330 105 L HA 0.754 5.095 4.340 0.001 0.000 0.271 105 L C -0.508 176.678 176.870 0.526 0.000 1.013 105 L CA -0.509 54.631 54.840 0.500 0.000 0.816 105 L CB 2.009 44.310 42.059 0.404 0.000 1.287 105 L HN 0.781 9.011 8.230 -0.000 0.000 0.435 106 M N 2.553 122.441 119.600 0.481 0.000 2.213 106 M HA 0.363 4.843 4.480 0.001 0.000 0.286 106 M C -1.007 175.345 176.300 0.087 0.000 1.008 106 M CA -0.661 54.802 55.300 0.272 0.000 0.937 106 M CB 2.305 35.004 32.600 0.164 0.000 1.600 106 M HN 0.243 8.533 8.290 -0.000 0.000 0.450 107 K N 3.157 123.483 120.400 -0.123 0.000 2.234 107 K HA 0.598 4.918 4.320 0.001 0.000 0.282 107 K C -1.311 175.116 176.600 -0.288 0.000 1.039 107 K CA -0.167 55.771 56.287 -0.581 0.000 0.928 107 K CB 0.799 33.006 32.500 -0.488 0.000 1.039 107 K HN 0.711 8.961 8.250 -0.000 0.000 0.470 108 L N 4.930 125.978 121.223 -0.293 0.000 2.375 108 L HA 0.242 4.583 4.340 0.001 0.000 0.271 108 L C 1.304 178.092 176.870 -0.136 0.000 1.107 108 L CA -0.348 54.408 54.840 -0.140 0.000 0.806 108 L CB 1.192 43.204 42.059 -0.077 0.000 1.146 108 L HN 0.785 9.015 8.230 -0.000 0.000 0.447 109 K N 1.138 121.488 120.400 -0.083 0.000 2.057 109 K HA -0.049 4.271 4.320 0.001 0.000 0.207 109 K C -0.018 176.541 176.600 -0.068 0.000 1.049 109 K CA 1.387 57.630 56.287 -0.073 0.000 0.931 109 K CB 0.130 32.601 32.500 -0.047 0.000 0.714 109 K HN 0.434 8.684 8.250 -0.000 0.000 0.440 110 K N 0.663 121.032 120.400 -0.051 0.000 2.427 110 K HA 0.268 4.588 4.320 0.001 0.000 0.252 110 K C -2.731 173.849 176.600 -0.032 0.000 0.931 110 K CA -2.203 54.059 56.287 -0.041 0.000 0.793 110 K CB 2.159 34.643 32.500 -0.027 0.000 1.211 110 K HN -0.132 8.118 8.250 -0.000 0.000 0.426 111 P HA -0.034 4.386 4.420 -0.000 0.000 0.265 111 P C -0.273 177.019 177.300 -0.014 0.000 1.193 111 P CA -0.172 62.915 63.100 -0.022 0.000 0.765 111 P CB 0.563 32.240 31.700 -0.039 0.000 0.823 112 V N 2.477 122.409 119.914 0.030 0.000 2.834 112 V HA 0.421 4.542 4.120 0.001 0.000 0.301 112 V C 0.867 176.937 176.094 -0.041 0.000 1.066 112 V CA -0.447 61.891 62.300 0.064 0.000 1.052 112 V CB 0.981 32.919 31.823 0.192 0.000 1.021 112 V HN 0.745 8.935 8.190 -0.000 0.000 0.480 113 A N 3.350 126.170 122.820 -0.000 0.000 2.276 113 A HA 0.779 5.100 4.320 0.001 0.000 0.316 113 A C -0.658 177.009 177.584 0.139 0.000 1.229 113 A CA -0.410 51.580 52.037 -0.078 0.000 0.851 113 A CB 0.116 19.101 19.000 -0.025 0.000 1.165 113 A HN 0.503 8.653 8.150 -0.000 0.000 0.513 114 F N 1.663 121.670 119.950 0.094 0.000 2.410 114 F HA 0.596 5.124 4.527 0.000 0.000 0.334 114 F C 1.262 177.109 175.800 0.079 0.000 1.134 114 F CA -0.316 57.756 58.000 0.120 0.000 1.227 114 F CB 1.005 40.120 39.000 0.193 0.000 1.194 114 F HN 0.733 9.033 8.300 -0.000 0.000 0.571 115 S N -0.537 115.320 115.700 0.263 0.000 2.843 115 S HA 0.328 4.798 4.470 0.001 0.000 0.301 115 S C 0.187 174.758 174.600 -0.049 0.000 1.206 115 S CA -0.710 57.551 58.200 0.103 0.000 0.875 115 S CB 1.145 64.422 63.200 0.129 0.000 1.248 115 S HN 0.457 8.767 8.310 -0.000 0.000 0.555 116 D N -0.173 120.075 120.400 -0.254 0.000 2.310 116 D HA 0.033 4.673 4.640 0.001 0.000 0.212 116 D C 0.248 176.102 176.300 -0.743 0.000 0.965 116 D CA 1.341 54.998 54.000 -0.572 0.000 0.879 116 D CB -0.130 40.160 40.800 -0.850 0.000 0.921 116 D HN 0.579 8.949 8.370 -0.000 0.000 0.510 117 Y N -0.690 119.594 120.300 -0.027 0.000 2.527 117 Y HA 0.381 4.931 4.550 0.001 0.000 0.247 117 Y C 0.563 176.447 175.900 -0.027 0.000 1.138 117 Y CA -0.238 57.832 58.100 -0.050 0.000 1.228 117 Y CB 1.073 39.513 38.460 -0.033 0.000 1.252 117 Y HN -0.221 8.059 8.280 -0.000 0.000 0.531 118 I N 0.822 121.463 120.570 0.118 0.000 2.517 118 I HA 0.270 4.441 4.170 0.001 0.000 0.280 118 I C -1.344 174.848 176.117 0.124 0.000 1.061 118 I CA -0.437 60.948 61.300 0.142 0.000 1.091 118 I CB 1.288 39.426 38.000 0.231 0.000 1.205 118 I HN 0.055 8.265 8.210 -0.000 0.000 0.459 119 H N 7.481 126.475 119.070 -0.128 0.000 2.954 119 H HA 0.496 5.053 4.556 0.001 0.000 0.361 119 H C -2.887 172.392 175.328 -0.081 0.000 1.122 119 H CA -1.503 54.376 56.048 -0.281 0.000 1.217 119 H CB 3.095 32.783 29.762 -0.123 0.000 1.776 119 H HN 0.161 8.441 8.280 -0.000 0.000 0.533 120 P HA 0.084 4.504 4.420 -0.000 0.000 0.275 120 P C -0.513 176.657 177.300 -0.218 0.000 1.228 120 P CA -0.240 62.657 63.100 -0.339 0.000 0.786 120 P CB 1.775 33.219 31.700 -0.427 0.000 0.927 121 V N 3.391 123.169 119.914 -0.226 0.000 2.863 121 V HA 0.236 4.357 4.120 0.001 0.000 0.307 121 V C -0.070 175.778 176.094 -0.410 0.000 1.061 121 V CA -0.474 61.424 62.300 -0.670 0.000 1.024 121 V CB 1.245 32.351 31.823 -1.195 0.000 1.049 121 V HN 0.690 8.880 8.190 -0.000 0.000 0.471 122 C N 5.734 124.754 119.300 -0.465 0.000 2.539 122 C HA 0.452 4.912 4.460 0.001 0.000 0.392 122 C C 0.309 175.237 174.990 -0.103 0.000 1.269 122 C CA -0.766 58.044 59.018 -0.348 0.000 2.250 122 C CB -0.120 27.161 27.740 -0.764 0.000 2.584 122 C HN 0.744 8.974 8.230 -0.000 0.000 0.589 123 L N 5.126 126.391 121.223 0.070 0.000 2.379 123 L HA 0.430 4.770 4.340 0.001 0.000 0.269 123 L C -1.768 175.340 176.870 0.398 0.000 1.084 123 L CA -1.347 53.608 54.840 0.192 0.000 0.802 123 L CB 1.139 43.269 42.059 0.118 0.000 1.175 123 L HN 0.452 8.682 8.230 -0.000 0.000 0.448 124 P HA 0.150 4.570 4.420 -0.000 0.000 0.277 124 P C -1.732 175.686 177.300 0.196 0.000 1.240 124 P CA -0.360 62.817 63.100 0.128 0.000 0.798 124 P CB 1.184 32.905 31.700 0.036 0.000 0.979 125 D N 0.747 121.138 120.400 -0.014 0.000 2.553 125 D HA 0.270 4.911 4.640 0.001 0.000 0.249 125 D C 1.308 177.407 176.300 -0.335 0.000 1.062 125 D CA -0.944 53.111 54.000 0.092 0.000 1.085 125 D CB 0.864 41.696 40.800 0.054 0.000 1.350 125 D HN 0.177 8.547 8.370 -0.000 0.000 0.575 126 R N 0.063 120.440 120.500 -0.205 0.000 2.196 126 R HA -0.259 4.081 4.340 0.001 0.000 0.234 126 R C 1.732 177.763 176.300 -0.449 0.000 1.113 126 R CA 2.214 58.056 56.100 -0.430 0.000 0.899 126 R CB -0.708 29.560 30.300 -0.053 0.000 0.863 126 R HN 0.511 8.781 8.270 -0.000 0.000 0.430 127 E N 0.399 120.444 120.200 -0.257 0.000 2.086 127 E HA -0.107 4.243 4.350 0.001 0.000 0.200 127 E C 0.534 176.958 176.600 -0.293 0.000 1.012 127 E CA 1.420 57.684 56.400 -0.226 0.000 0.812 127 E CB -0.446 29.162 29.700 -0.152 0.000 0.743 127 E HN 0.287 8.647 8.360 -0.000 0.000 0.453 128 T N 1.560 115.895 114.554 -0.366 0.000 2.793 128 T HA 0.122 4.472 4.350 0.001 0.000 0.289 128 T C 0.462 174.906 174.700 -0.425 0.000 0.956 128 T CA 0.218 62.047 62.100 -0.452 0.000 1.177 128 T CB 0.400 68.828 68.868 -0.733 0.000 0.897 128 T HN 0.116 8.356 8.240 -0.000 0.000 0.533 129 L N 2.150 123.258 121.223 -0.192 0.000 2.208 129 L HA -0.130 4.210 4.340 0.001 0.000 0.478 129 L C 0.721 177.446 176.870 -0.242 0.000 0.724 129 L CA 0.868 55.648 54.840 -0.099 0.000 2.975 129 L CB -1.231 40.784 42.059 -0.073 0.000 0.837 129 L HN 0.644 8.874 8.230 -0.000 0.000 0.703 130 L N 1.848 122.869 121.223 -0.337 0.000 2.423 130 L HA 0.228 4.569 4.340 0.001 0.000 0.249 130 L C 0.378 176.984 176.870 -0.441 0.000 1.276 130 L CA 0.420 55.014 54.840 -0.410 0.000 1.199 130 L CB -0.141 41.675 42.059 -0.405 0.000 1.407 130 L HN 0.245 8.475 8.230 -0.000 0.000 0.410 131 Q N 1.310 120.760 119.800 -0.584 0.000 2.375 131 Q HA 0.548 4.888 4.340 0.001 0.000 0.271 131 Q C -0.241 175.527 176.000 -0.387 0.000 1.074 131 Q CA -0.859 54.584 55.803 -0.599 0.000 0.808 131 Q CB 2.825 30.948 28.738 -1.025 0.000 1.327 131 Q HN 0.513 8.783 8.270 -0.000 0.000 0.441 132 A N 0.948 123.624 122.820 -0.241 0.000 2.561 132 A HA 0.391 4.712 4.320 0.001 0.000 0.251 132 A C 1.164 178.729 177.584 -0.031 0.000 1.062 132 A CA 1.306 53.263 52.037 -0.134 0.000 0.761 132 A CB -0.726 18.205 19.000 -0.114 0.000 0.986 132 A HN 1.048 9.198 8.150 -0.000 0.000 0.510 133 G N 1.256 110.070 108.800 0.023 0.000 2.307 133 G HA2 -0.200 3.761 3.960 0.001 0.000 0.210 133 G HA3 -0.200 3.761 3.960 0.001 0.000 0.210 133 G C 0.046 175.064 174.900 0.197 0.000 1.005 133 G CA 0.059 45.223 45.100 0.106 0.000 0.634 133 G HN 0.709 8.999 8.290 -0.000 0.000 0.496 134 Y N 2.333 122.587 120.300 -0.077 0.000 2.442 134 Y HA 0.531 5.081 4.550 0.001 0.000 0.330 134 Y C 1.153 177.025 175.900 -0.048 0.000 1.129 134 Y CA -0.331 57.728 58.100 -0.068 0.000 1.365 134 Y CB 0.652 39.058 38.460 -0.090 0.000 1.233 134 Y HN 0.110 8.390 8.280 -0.000 0.000 0.529 135 K N 1.905 122.324 120.400 0.032 0.000 2.143 135 K HA 0.661 4.981 4.320 0.001 0.000 0.272 135 K C 0.244 176.827 176.600 -0.029 0.000 1.001 135 K CA -0.553 55.734 56.287 -0.000 0.000 0.915 135 K CB 1.326 33.805 32.500 -0.036 0.000 1.047 135 K HN 0.855 9.105 8.250 -0.000 0.000 0.458 136 G N 1.139 109.849 108.800 -0.151 0.000 2.569 136 G HA2 0.460 4.421 3.960 0.001 0.000 0.300 136 G HA3 0.460 4.421 3.960 0.001 0.000 0.300 136 G C -1.427 173.115 174.900 -0.597 0.000 1.269 136 G CA -0.725 44.054 45.100 -0.535 0.000 0.959 136 G HN 0.519 8.809 8.290 -0.000 0.000 0.478 137 R N 0.046 120.263 120.500 -0.470 0.000 2.407 137 R HA 0.628 4.969 4.340 0.001 0.000 0.303 137 R C -1.269 174.850 176.300 -0.303 0.000 0.981 137 R CA -0.387 55.560 56.100 -0.255 0.000 0.905 137 R CB 1.599 31.872 30.300 -0.044 0.000 1.099 137 R HN 0.272 8.542 8.270 -0.000 0.000 0.459 138 V N 3.548 123.376 119.914 -0.143 0.000 2.540 138 V HA 0.466 4.586 4.120 0.001 0.000 0.302 138 V C -0.370 175.725 176.094 0.002 0.000 1.035 138 V CA -0.620 61.686 62.300 0.010 0.000 0.873 138 V CB 1.924 33.855 31.823 0.179 0.000 0.992 138 V HN 1.012 9.202 8.190 -0.000 0.000 0.428 139 T N 0.949 115.501 114.554 -0.003 0.000 2.893 139 T HA 0.941 5.291 4.350 0.001 0.000 0.293 139 T C -0.272 174.340 174.700 -0.146 0.000 1.027 139 T CA -0.183 61.853 62.100 -0.107 0.000 0.988 139 T CB 2.070 70.832 68.868 -0.177 0.000 1.043 139 T HN 1.323 9.563 8.240 -0.000 0.000 0.461 140 G N 0.302 108.948 108.800 -0.257 0.000 2.495 140 G HA2 0.457 4.417 3.960 0.001 0.000 0.294 140 G HA3 0.457 4.417 3.960 0.001 0.000 0.294 140 G C -1.048 173.668 174.900 -0.306 0.000 1.397 140 G CA -0.813 44.136 45.100 -0.251 0.000 0.790 140 G HN 0.656 8.946 8.290 -0.000 0.000 0.486 141 W N 0.915 122.236 121.300 0.035 0.000 3.132 141 W HA 0.334 4.994 4.660 0.001 0.000 0.364 141 W C 1.237 177.778 176.519 0.036 0.000 1.129 141 W CA -0.135 57.222 57.345 0.021 0.000 1.815 141 W CB 0.659 30.130 29.460 0.019 0.000 1.099 141 W HN 0.817 8.997 8.180 -0.000 0.000 0.605 142 G N 1.748 110.677 108.800 0.214 0.000 2.744 142 G HA2 -0.098 3.862 3.960 0.001 0.000 0.257 142 G HA3 -0.098 3.862 3.960 0.001 0.000 0.257 142 G C 0.421 175.395 174.900 0.124 0.000 1.244 142 G CA -0.318 44.877 45.100 0.160 0.000 0.916 142 G HN -0.065 8.225 8.290 -0.000 0.000 0.564 143 N N -0.795 117.966 118.700 0.101 0.000 2.395 143 N HA -0.004 4.737 4.740 0.001 0.000 0.246 143 N C 1.311 176.863 175.510 0.070 0.000 1.246 143 N CA -0.093 53.005 53.050 0.081 0.000 0.879 143 N CB 0.953 39.482 38.487 0.069 0.000 1.098 143 N HN 0.339 8.719 8.380 -0.000 0.000 0.444 144 L N 0.139 121.398 121.223 0.060 0.000 2.558 144 L HA 0.089 4.429 4.340 0.001 0.000 0.225 144 L C 0.384 177.282 176.870 0.046 0.000 1.128 144 L CA 0.519 55.390 54.840 0.051 0.000 0.868 144 L CB -0.321 41.766 42.059 0.046 0.000 1.006 144 L HN 0.577 8.807 8.230 -0.000 0.000 0.454 145 K N -0.828 119.600 120.400 0.047 0.000 2.610 145 K HA 0.213 4.534 4.320 0.001 0.000 0.278 145 K C -1.077 175.549 176.600 0.043 0.000 0.964 145 K CA -0.781 55.532 56.287 0.042 0.000 0.859 145 K CB 1.356 33.877 32.500 0.035 0.000 1.434 145 K HN -0.170 8.080 8.250 -0.000 0.000 0.410 146 E N 2.756 122.980 120.200 0.041 0.000 2.383 146 E HA -0.005 4.345 4.350 0.001 0.000 0.257 146 E C -0.006 176.616 176.600 0.036 0.000 1.079 146 E CA 0.055 56.480 56.400 0.041 0.000 0.934 146 E CB 0.511 30.235 29.700 0.039 0.000 0.978 146 E HN 0.583 8.943 8.360 -0.000 0.000 0.462 147 T N 1.521 116.097 114.554 0.037 0.000 3.332 147 T HA 0.415 4.766 4.350 0.001 0.000 0.367 147 T C 0.729 175.446 174.700 0.028 0.000 1.244 147 T CA 0.292 62.411 62.100 0.032 0.000 0.977 147 T CB -0.216 68.671 68.868 0.033 0.000 1.784 147 T HN 1.080 9.320 8.240 -0.000 0.000 0.553 151 Q N 0.996 120.827 119.800 0.052 0.000 2.256 151 Q HA 0.446 4.786 4.340 0.001 0.000 0.254 151 Q C -2.346 173.695 176.000 0.068 0.000 0.916 151 Q CA -1.504 54.337 55.803 0.064 0.000 0.932 151 Q CB 2.057 30.827 28.738 0.054 0.000 1.207 151 Q HN 0.252 8.522 8.270 -0.000 0.000 0.426 152 P HA 0.092 4.512 4.420 -0.000 0.000 0.282 152 P C -0.067 177.296 177.300 0.105 0.000 1.259 152 P CA -0.450 62.707 63.100 0.095 0.000 0.826 152 P CB 1.347 33.117 31.700 0.117 0.000 1.064 153 S N -0.408 115.341 115.700 0.081 0.000 2.497 153 S HA 0.199 4.669 4.470 0.001 0.000 0.218 153 S C 0.465 175.110 174.600 0.076 0.000 1.023 153 S CA 0.166 58.405 58.200 0.066 0.000 0.913 153 S CB -0.024 63.203 63.200 0.045 0.000 0.800 153 S HN 0.206 8.516 8.310 -0.000 0.000 0.505 154 V N 1.728 121.684 119.914 0.069 0.000 2.962 154 V HA 0.497 4.617 4.120 0.001 0.000 0.313 154 V C -0.582 175.479 176.094 -0.055 0.000 1.099 154 V CA -1.181 61.093 62.300 -0.044 0.000 0.971 154 V CB 1.956 33.700 31.823 -0.132 0.000 1.028 154 V HN 0.474 8.664 8.190 -0.000 0.000 0.430 155 L N 3.735 124.808 121.223 -0.251 0.000 2.573 155 L HA 0.121 4.461 4.340 0.001 0.000 0.290 155 L C 0.016 176.680 176.870 -0.343 0.000 1.247 155 L CA 1.077 55.546 54.840 -0.618 0.000 0.876 155 L CB 0.155 41.792 42.059 -0.703 0.000 1.123 155 L HN 0.634 8.864 8.230 -0.000 0.000 0.505 156 Q N 4.002 123.609 119.800 -0.321 0.000 2.345 156 Q HA 0.671 5.012 4.340 0.001 0.000 0.268 156 Q C -1.010 174.900 176.000 -0.149 0.000 1.054 156 Q CA -0.637 55.070 55.803 -0.159 0.000 0.835 156 Q CB 2.185 30.874 28.738 -0.082 0.000 1.339 156 Q HN 0.568 8.838 8.270 -0.000 0.000 0.447 157 V N -1.392 118.470 119.914 -0.086 0.000 2.823 157 V HA 0.930 5.051 4.120 0.001 0.000 0.312 157 V C -0.610 175.474 176.094 -0.016 0.000 1.072 157 V CA -0.859 61.402 62.300 -0.066 0.000 0.937 157 V CB 2.076 33.855 31.823 -0.072 0.000 1.013 157 V HN 0.469 8.659 8.190 -0.000 0.000 0.430 158 V N 2.839 122.752 119.914 -0.001 0.000 2.969 158 V HA 0.606 4.727 4.120 0.001 0.000 0.304 158 V C -1.528 174.579 176.094 0.023 0.000 1.192 158 V CA -0.451 61.872 62.300 0.038 0.000 0.962 158 V CB 2.499 34.365 31.823 0.072 0.000 1.045 158 V HN 1.088 9.278 8.190 -0.000 0.000 0.428 159 N N 6.185 124.913 118.700 0.047 0.000 2.400 159 N HA 0.710 5.450 4.740 0.001 0.000 0.288 159 N C -1.203 174.310 175.510 0.004 0.000 1.024 159 N CA -0.240 52.812 53.050 0.005 0.000 0.894 159 N CB 2.128 40.635 38.487 0.032 0.000 1.173 159 N HN 0.569 8.949 8.380 -0.000 0.000 0.487 160 L N 2.196 123.370 121.223 -0.082 0.000 2.388 160 L HA 0.591 4.932 4.340 0.001 0.000 0.264 160 L C -2.428 174.349 176.870 -0.155 0.000 0.998 160 L CA -1.947 52.776 54.840 -0.195 0.000 0.817 160 L CB 3.078 45.110 42.059 -0.046 0.000 1.338 160 L HN 0.255 8.485 8.230 -0.000 0.000 0.414 161 P HA 0.299 4.719 4.420 -0.000 0.000 0.288 161 P C -0.548 176.708 177.300 -0.074 0.000 1.267 161 P CA -0.360 62.655 63.100 -0.142 0.000 0.815 161 P CB 1.375 32.960 31.700 -0.191 0.000 0.989 162 I N 2.242 122.797 120.570 -0.025 0.000 2.692 162 I HA 0.067 4.238 4.170 0.001 0.000 0.284 162 I C 0.649 176.685 176.117 -0.135 0.000 1.159 162 I CA -0.070 61.169 61.300 -0.103 0.000 1.423 162 I CB 0.566 38.453 38.000 -0.188 0.000 1.380 162 I HN 0.066 8.276 8.210 -0.000 0.000 0.580 163 V N 5.459 125.259 119.914 -0.189 0.000 2.630 163 V HA 0.192 4.312 4.120 0.001 0.000 0.305 163 V C 0.062 176.027 176.094 -0.214 0.000 1.046 163 V CA -0.918 61.229 62.300 -0.255 0.000 0.934 163 V CB 1.733 33.255 31.823 -0.501 0.000 1.003 163 V HN 0.715 8.905 8.190 -0.000 0.000 0.451 164 E N 4.497 124.589 120.200 -0.181 0.000 2.413 164 E HA 0.069 4.419 4.350 0.001 0.000 0.263 164 E C 0.817 177.346 176.600 -0.119 0.000 1.015 164 E CA -0.237 56.086 56.400 -0.128 0.000 0.916 164 E CB 0.835 30.478 29.700 -0.095 0.000 0.947 164 E HN 0.481 8.841 8.360 -0.000 0.000 0.440 165 R N 2.032 122.491 120.500 -0.069 0.000 2.115 165 R HA -0.165 4.175 4.340 0.001 0.000 0.239 165 R C -0.671 175.623 176.300 -0.009 0.000 1.133 165 R CA 2.336 58.423 56.100 -0.022 0.000 0.935 165 R CB -1.465 28.840 30.300 0.009 0.000 0.853 165 R HN 0.437 8.707 8.270 -0.000 0.000 0.433 166 P HA -0.182 4.238 4.420 -0.000 0.000 0.218 166 P C 1.423 178.727 177.300 0.007 0.000 1.154 166 P CA 1.352 64.455 63.100 0.005 0.000 0.872 166 P CB -0.016 31.682 31.700 -0.003 0.000 0.790 167 V N -1.113 118.777 119.914 -0.039 0.000 2.427 167 V HA -0.259 3.861 4.120 0.001 0.000 0.248 167 V C 2.506 178.577 176.094 -0.038 0.000 1.051 167 V CA 1.910 64.177 62.300 -0.055 0.000 1.048 167 V CB -1.369 30.354 31.823 -0.167 0.000 0.666 167 V HN 0.228 8.418 8.190 -0.000 0.000 0.456 168 c N -0.413 118.143 118.600 -0.073 0.000 2.462 168 c HA -0.123 4.447 4.570 0.001 0.000 0.278 168 c C 2.755 176.997 174.090 0.254 0.000 1.253 168 c CA 0.978 57.332 56.329 0.042 0.000 1.713 168 c CB -0.780 41.718 42.510 -0.020 0.000 2.049 168 c HN 0.510 8.740 8.230 -0.000 0.000 0.477 169 K N 1.599 122.106 120.400 0.179 0.000 2.000 169 K HA -0.161 4.159 4.320 0.001 0.000 0.218 169 K C 1.292 177.986 176.600 0.157 0.000 1.053 169 K CA 1.978 58.366 56.287 0.169 0.000 0.946 169 K CB -0.571 31.991 32.500 0.104 0.000 0.723 169 K HN 0.434 8.684 8.250 -0.000 0.000 0.446 170 D N -0.558 119.916 120.400 0.124 0.000 2.378 170 D HA -0.057 4.584 4.640 0.001 0.000 0.227 170 D C 0.876 177.267 176.300 0.152 0.000 1.012 170 D CA 0.908 54.976 54.000 0.115 0.000 0.905 170 D CB 0.017 40.869 40.800 0.086 0.000 0.895 170 D HN 0.331 8.701 8.370 -0.000 0.000 0.532 171 S N -1.266 114.565 115.700 0.219 0.000 2.557 171 S HA 0.152 4.622 4.470 0.001 0.000 0.223 171 S C 0.605 175.367 174.600 0.270 0.000 0.969 171 S CA -0.325 58.038 58.200 0.271 0.000 0.927 171 S CB 0.675 64.128 63.200 0.420 0.000 0.806 171 S HN 0.068 8.378 8.310 -0.000 0.000 0.489 172 T N -0.055 114.636 114.554 0.228 0.000 2.786 172 T HA 0.418 4.768 4.350 0.001 0.000 0.316 172 T C -0.292 174.469 174.700 0.102 0.000 1.503 172 T CA -0.733 61.477 62.100 0.184 0.000 1.019 172 T CB 1.337 70.357 68.868 0.252 0.000 1.415 172 T HN 0.079 8.319 8.240 -0.000 0.000 0.496 173 R N 1.042 121.569 120.500 0.045 0.000 2.254 173 R HA 0.322 4.662 4.340 0.001 0.000 0.195 173 R C 0.725 176.997 176.300 -0.046 0.000 0.957 173 R CA 0.024 56.125 56.100 0.002 0.000 1.024 173 R CB 0.023 30.314 30.300 -0.015 0.000 0.952 173 R HN 0.567 8.837 8.270 -0.000 0.000 0.484 174 I N 2.261 122.777 120.570 -0.090 0.000 2.775 174 I HA -0.084 4.087 4.170 0.001 0.000 0.290 174 I C 1.149 177.199 176.117 -0.112 0.000 1.203 174 I CA 0.276 61.456 61.300 -0.201 0.000 1.433 174 I CB 0.318 38.047 38.000 -0.451 0.000 1.354 174 I HN -0.062 8.148 8.210 -0.000 0.000 0.579 175 R N 7.015 127.440 120.500 -0.125 0.000 3.247 175 R HA 0.125 4.466 4.340 0.001 0.000 0.212 175 R C -0.182 176.102 176.300 -0.027 0.000 1.604 175 R CA -0.676 55.386 56.100 -0.063 0.000 1.279 175 R CB -0.289 29.964 30.300 -0.079 0.000 1.277 175 R HN 0.417 8.687 8.270 -0.000 0.000 0.669 176 I N 2.334 122.928 120.570 0.040 0.000 2.948 176 I HA -0.112 4.059 4.170 0.001 0.000 0.303 176 I C 0.871 177.054 176.117 0.109 0.000 1.224 176 I CA 1.064 62.443 61.300 0.130 0.000 1.442 176 I CB 0.411 38.555 38.000 0.239 0.000 1.328 176 I HN 0.456 8.666 8.210 -0.000 0.000 0.578 177 T N 4.634 119.271 114.554 0.137 0.000 2.930 177 T HA 0.243 4.594 4.350 0.001 0.000 0.290 177 T C 0.847 175.625 174.700 0.130 0.000 1.052 177 T CA -0.515 61.643 62.100 0.097 0.000 1.017 177 T CB 1.648 70.553 68.868 0.062 0.000 1.137 177 T HN 0.475 8.715 8.240 -0.000 0.000 0.511 178 D N 0.984 121.436 120.400 0.085 0.000 2.310 178 D HA -0.063 4.578 4.640 0.001 0.000 0.212 178 D C 0.969 177.334 176.300 0.107 0.000 0.965 178 D CA 0.733 54.785 54.000 0.087 0.000 0.879 178 D CB 0.123 40.939 40.800 0.026 0.000 0.921 178 D HN 0.324 8.694 8.370 -0.000 0.000 0.510 179 N N 0.681 119.440 118.700 0.098 0.000 2.421 179 N HA 0.033 4.774 4.740 0.001 0.000 0.201 179 N C 0.525 176.177 175.510 0.236 0.000 1.198 179 N CA 0.248 53.370 53.050 0.121 0.000 0.838 179 N CB 0.284 38.796 38.487 0.041 0.000 1.011 179 N HN 0.444 8.824 8.380 -0.000 0.000 0.463 180 M N -1.430 118.341 119.600 0.284 0.000 2.622 180 M HA 0.603 5.084 4.480 0.001 0.000 0.276 180 M C -1.605 174.885 176.300 0.317 0.000 1.265 180 M CA -1.091 54.362 55.300 0.255 0.000 0.850 180 M CB 2.352 35.116 32.600 0.272 0.000 1.720 180 M HN -0.149 8.141 8.290 -0.000 0.000 0.465 181 F N -0.079 119.930 119.950 0.098 0.000 2.662 181 F HA 0.903 5.430 4.527 0.001 0.000 0.312 181 F C -1.213 174.440 175.800 -0.246 0.000 1.113 181 F CA -1.236 56.725 58.000 -0.066 0.000 0.951 181 F CB 0.914 39.812 39.000 -0.169 0.000 1.344 181 F HN 1.086 9.386 8.300 -0.000 0.000 0.462 182 c N 1.598 120.071 118.600 -0.212 0.000 2.614 182 c HA 1.021 5.592 4.570 0.001 0.000 0.320 182 c C -0.515 173.449 174.090 -0.210 0.000 1.200 182 c CA -0.062 55.925 56.329 -0.571 0.000 1.700 182 c CB 0.637 42.367 42.510 -1.301 0.000 2.275 182 c HN 1.521 9.751 8.230 -0.000 0.000 0.492 183 A N 1.912 124.662 122.820 -0.117 0.000 2.486 183 A HA 0.748 5.068 4.320 0.001 0.000 0.300 183 A C -1.486 176.159 177.584 0.102 0.000 1.048 183 A CA -0.454 51.559 52.037 -0.041 0.000 0.696 183 A CB 0.693 19.631 19.000 -0.104 0.000 1.278 183 A HN 0.892 9.042 8.150 -0.000 0.000 0.405 184 Y N 1.356 121.779 120.300 0.205 0.000 2.346 184 Y HA 0.215 4.766 4.550 0.001 0.000 0.330 184 Y C 1.577 177.614 175.900 0.229 0.000 1.178 184 Y CA 0.216 58.422 58.100 0.178 0.000 1.331 184 Y CB 1.076 39.593 38.460 0.095 0.000 1.253 184 Y HN 0.765 9.045 8.280 -0.000 0.000 0.529 185 K N 1.509 122.159 120.400 0.416 0.000 2.365 185 K HA -0.064 4.257 4.320 0.001 0.000 0.199 185 K C 0.019 176.725 176.600 0.177 0.000 1.045 185 K CA 0.430 56.921 56.287 0.340 0.000 0.962 185 K CB -0.085 32.575 32.500 0.266 0.000 0.759 185 K HN 0.621 8.871 8.250 -0.000 0.000 0.469 186 K N 1.111 121.336 120.400 -0.292 0.000 5.365 186 K HA -0.263 4.057 4.320 0.001 0.000 0.564 186 K C -0.329 176.010 176.600 -0.435 0.000 2.545 186 K CA 1.086 57.054 56.287 -0.530 0.000 1.976 186 K CB -0.099 31.764 32.500 -1.063 0.000 1.595 186 K HN 0.261 8.511 8.250 -0.000 0.000 0.346 187 R N 0.119 120.499 120.500 -0.201 0.000 2.987 187 R HA 0.841 5.182 4.340 0.001 0.000 0.248 187 R C -0.175 176.255 176.300 0.217 0.000 1.264 187 R CA -0.914 55.233 56.100 0.079 0.000 1.026 187 R CB 1.916 32.239 30.300 0.039 0.000 1.286 187 R HN 0.814 9.084 8.270 -0.000 0.000 0.483 188 G N 0.201 109.122 108.800 0.201 0.000 2.321 188 G HA2 0.327 4.287 3.960 0.001 0.000 0.339 188 G HA3 0.327 4.287 3.960 0.001 0.000 0.339 188 G C -2.081 172.916 174.900 0.162 0.000 1.518 188 G CA -0.385 44.823 45.100 0.180 0.000 0.994 188 G HN 0.677 8.967 8.290 -0.000 0.000 0.668 189 D N -1.173 119.308 120.400 0.134 0.000 2.926 189 D HA 0.663 5.303 4.640 0.001 0.000 0.282 189 D C -0.023 176.350 176.300 0.121 0.000 1.201 189 D CA 0.641 54.721 54.000 0.135 0.000 0.735 189 D CB 0.987 41.846 40.800 0.099 0.000 1.257 189 D HN 1.423 9.793 8.370 -0.000 0.000 0.428 190 A N 0.290 123.186 122.820 0.127 0.000 2.286 190 A HA 0.714 5.034 4.320 0.001 0.000 0.286 190 A C -0.114 177.514 177.584 0.074 0.000 1.097 190 A CA -0.247 51.850 52.037 0.101 0.000 0.821 190 A CB 0.827 19.881 19.000 0.089 0.000 1.076 190 A HN 0.652 8.802 8.150 -0.000 0.000 0.490 191 c N -0.034 118.613 118.600 0.077 0.000 3.213 191 c HA 0.539 5.110 4.570 0.001 0.000 0.319 191 c C -0.477 173.666 174.090 0.089 0.000 1.386 191 c CA -0.649 55.725 56.329 0.076 0.000 1.494 191 c CB 1.392 43.944 42.510 0.071 0.000 1.905 191 c HN 0.929 9.159 8.230 -0.000 0.000 0.456 192 E N 0.761 121.014 120.200 0.088 0.000 2.868 192 E HA 0.262 4.613 4.350 0.001 0.000 0.246 192 E C 0.964 177.630 176.600 0.111 0.000 0.962 192 E CA 1.706 58.165 56.400 0.099 0.000 0.955 192 E CB -0.082 29.668 29.700 0.083 0.000 0.903 192 E HN 1.246 9.606 8.360 -0.000 0.000 0.524 193 G N 4.111 112.990 108.800 0.131 0.000 2.284 193 G HA2 -0.195 3.766 3.960 0.001 0.000 0.201 193 G HA3 -0.195 3.766 3.960 0.001 0.000 0.201 193 G C 0.604 175.605 174.900 0.169 0.000 0.998 193 G CA 0.094 45.282 45.100 0.146 0.000 0.651 193 G HN 0.482 8.772 8.290 -0.000 0.000 0.489 194 D N 1.100 121.589 120.400 0.148 0.000 2.346 194 D HA 0.198 4.839 4.640 0.001 0.000 0.206 194 D C 1.406 177.792 176.300 0.143 0.000 1.001 194 D CA 0.708 54.792 54.000 0.140 0.000 0.871 194 D CB 0.148 41.014 40.800 0.110 0.000 0.943 194 D HN 0.350 8.720 8.370 -0.000 0.000 0.518 195 S N -0.286 115.510 115.700 0.160 0.000 2.553 195 S HA 0.229 4.699 4.470 0.001 0.000 0.293 195 S C 1.647 176.316 174.600 0.115 0.000 1.296 195 S CA 0.927 59.240 58.200 0.188 0.000 1.046 195 S CB 0.700 64.109 63.200 0.349 0.000 0.810 195 S HN 0.491 8.801 8.310 -0.000 0.000 0.505 196 G N 1.564 110.426 108.800 0.103 0.000 2.267 196 G HA2 -0.211 3.750 3.960 0.001 0.000 0.257 196 G HA3 -0.211 3.750 3.960 0.001 0.000 0.257 196 G C 0.432 175.418 174.900 0.143 0.000 0.998 196 G CA 0.116 45.267 45.100 0.085 0.000 0.620 196 G HN 1.184 9.474 8.290 -0.000 0.000 0.529 197 G N 0.621 109.517 108.800 0.159 0.000 2.572 197 G HA2 0.577 4.537 3.960 0.001 0.000 0.261 197 G HA3 0.577 4.537 3.960 0.001 0.000 0.261 197 G C -2.123 172.910 174.900 0.221 0.000 1.197 197 G CA -0.506 44.700 45.100 0.178 0.000 0.870 197 G HN 0.296 8.586 8.290 -0.000 0.000 0.548 198 P HA 0.215 4.635 4.420 -0.000 0.000 0.271 198 P C -1.012 176.467 177.300 0.299 0.000 1.218 198 P CA -0.122 63.131 63.100 0.255 0.000 0.780 198 P CB 0.598 32.435 31.700 0.229 0.000 0.901 199 F N 4.116 124.183 119.950 0.196 0.000 2.513 199 F HA 0.443 4.970 4.527 0.000 0.000 0.358 199 F C -0.942 174.946 175.800 0.147 0.000 1.118 199 F CA -0.899 57.195 58.000 0.156 0.000 1.037 199 F CB 0.734 39.810 39.000 0.126 0.000 1.276 199 F HN 0.107 8.407 8.300 -0.000 0.000 0.446 200 V N 4.155 124.023 119.914 -0.076 0.000 2.715 200 V HA 0.724 4.845 4.120 0.001 0.000 0.310 200 V C -0.638 175.544 176.094 0.147 0.000 1.054 200 V CA -0.838 61.533 62.300 0.118 0.000 0.928 200 V CB 1.954 33.896 31.823 0.198 0.000 1.007 200 V HN 0.773 8.963 8.190 -0.000 0.000 0.437 201 M N 3.190 122.926 119.600 0.225 0.000 2.530 201 M HA 0.565 5.046 4.480 0.001 0.000 0.307 201 M C -0.715 175.546 176.300 -0.065 0.000 1.161 201 M CA -0.583 54.773 55.300 0.093 0.000 0.903 201 M CB 2.683 35.322 32.600 0.065 0.000 1.711 201 M HN 0.801 9.091 8.290 -0.000 0.000 0.451 202 K N 0.754 120.881 120.400 -0.456 0.000 2.156 202 K HA 0.464 4.784 4.320 0.001 0.000 0.271 202 K C -0.046 176.347 176.600 -0.344 0.000 0.995 202 K CA -0.228 55.591 56.287 -0.780 0.000 0.890 202 K CB 1.851 33.525 32.500 -1.376 0.000 1.073 202 K HN 0.736 8.986 8.250 -0.000 0.000 0.454 203 S N 2.704 118.281 115.700 -0.206 0.000 2.907 203 S HA -0.066 4.404 4.470 0.001 0.000 0.166 203 S C 0.545 175.072 174.600 -0.122 0.000 0.956 203 S CA 0.707 58.850 58.200 -0.095 0.000 1.531 203 S CB -0.480 62.755 63.200 0.057 0.000 0.573 203 S HN 1.006 9.316 8.310 -0.000 0.000 0.488 204 N N 2.395 121.096 118.700 0.001 0.000 2.139 204 N HA -0.366 4.374 4.740 0.001 0.000 0.233 204 N C 0.199 175.700 175.510 -0.015 0.000 1.321 204 N CA 1.056 54.112 53.050 0.010 0.000 0.801 204 N CB -1.630 36.885 38.487 0.046 0.000 1.254 204 N HN 0.807 9.187 8.380 -0.000 0.000 0.625 205 N N -0.483 118.183 118.700 -0.057 0.000 2.686 205 N HA -0.274 4.467 4.740 0.001 0.000 0.249 205 N C -1.000 174.415 175.510 -0.158 0.000 1.082 205 N CA 1.476 54.450 53.050 -0.127 0.000 0.725 205 N CB -1.421 37.015 38.487 -0.085 0.000 1.009 205 N HN 0.620 9.000 8.380 -0.000 0.000 0.545 206 R N -1.243 119.179 120.500 -0.131 0.000 2.596 206 R HA 0.458 4.798 4.340 0.001 0.000 0.267 206 R C -0.301 175.811 176.300 -0.314 0.000 1.026 206 R CA -0.534 55.469 56.100 -0.161 0.000 1.087 206 R CB 0.543 30.705 30.300 -0.232 0.000 1.132 206 R HN 0.159 8.429 8.270 -0.000 0.000 0.531 207 W N 1.035 122.165 121.300 -0.284 0.000 2.417 207 W HA 0.329 4.990 4.660 0.001 0.000 0.317 207 W C -0.690 175.487 176.519 -0.571 0.000 1.121 207 W CA -0.066 57.095 57.345 -0.306 0.000 1.208 207 W CB 0.754 30.034 29.460 -0.299 0.000 1.253 207 W HN 0.380 8.560 8.180 -0.000 0.000 0.533 208 Y N 1.206 121.505 120.300 -0.001 0.000 2.425 208 Y HA 0.223 4.773 4.550 0.000 0.000 0.344 208 Y C 0.051 175.944 175.900 -0.011 0.000 0.969 208 Y CA -1.357 56.712 58.100 -0.051 0.000 1.052 208 Y CB 1.971 40.409 38.460 -0.037 0.000 1.215 208 Y HN 0.321 8.601 8.280 -0.000 0.000 0.451 209 Q N 2.968 122.835 119.800 0.111 0.000 2.377 209 Q HA 0.238 4.579 4.340 0.001 0.000 0.249 209 Q C -0.155 175.987 176.000 0.236 0.000 1.005 209 Q CA -0.303 55.583 55.803 0.138 0.000 0.912 209 Q CB 0.721 29.495 28.738 0.060 0.000 1.223 209 Q HN 0.847 9.117 8.270 -0.000 0.000 0.459 210 M N 2.202 121.986 119.600 0.306 0.000 2.476 210 M HA 0.312 4.793 4.480 0.001 0.000 0.262 210 M C 0.433 176.937 176.300 0.340 0.000 1.111 210 M CA 0.617 56.070 55.300 0.255 0.000 1.127 210 M CB 0.953 33.650 32.600 0.163 0.000 1.376 210 M HN 0.634 8.924 8.290 -0.000 0.000 0.465 211 G N -1.030 108.042 108.800 0.454 0.000 2.727 211 G HA2 0.708 4.668 3.960 0.001 0.000 0.289 211 G HA3 0.708 4.668 3.960 0.001 0.000 0.289 211 G C -1.598 173.523 174.900 0.367 0.000 1.418 211 G CA -0.660 44.678 45.100 0.398 0.000 0.818 211 G HN 0.061 8.351 8.290 -0.000 0.000 0.486 212 I N 0.547 121.287 120.570 0.283 0.000 2.499 212 I HA 0.250 4.421 4.170 0.001 0.000 0.288 212 I C -0.132 176.078 176.117 0.155 0.000 1.048 212 I CA -1.008 60.437 61.300 0.241 0.000 1.062 212 I CB 2.392 40.502 38.000 0.183 0.000 1.238 212 I HN 0.162 8.372 8.210 -0.000 0.000 0.426 213 V N 5.178 125.179 119.914 0.145 0.000 2.452 213 V HA -0.058 4.062 4.120 0.001 0.000 0.286 213 V C 0.936 176.993 176.094 -0.061 0.000 0.995 213 V CA 0.778 62.991 62.300 -0.145 0.000 1.116 213 V CB 0.616 32.439 31.823 0.000 0.000 0.954 213 V HN 0.967 9.157 8.190 -0.000 0.000 0.473 214 S N 5.437 121.010 115.700 -0.212 0.000 2.583 214 S HA 0.333 4.803 4.470 0.001 0.000 0.203 214 S C 0.126 174.790 174.600 0.107 0.000 0.952 214 S CA 0.122 58.366 58.200 0.074 0.000 0.887 214 S CB 0.426 63.692 63.200 0.110 0.000 0.857 214 S HN 0.878 9.188 8.310 -0.000 0.000 0.611 215 W N -0.396 120.829 121.300 -0.125 0.000 2.988 215 W HA 0.655 5.316 4.660 0.002 0.000 0.355 215 W C -0.635 175.878 176.519 -0.009 0.000 1.233 215 W CA -0.652 56.624 57.345 -0.114 0.000 1.176 215 W CB 0.415 29.777 29.460 -0.164 0.000 1.477 215 W HN 0.543 8.723 8.180 -0.000 0.000 0.582 216 G N 0.535 109.528 108.800 0.322 0.000 2.579 216 G HA2 0.438 4.398 3.960 0.001 0.000 0.292 216 G HA3 0.438 4.398 3.960 0.001 0.000 0.292 216 G C -1.952 173.134 174.900 0.311 0.000 1.484 216 G CA -0.858 44.380 45.100 0.229 0.000 0.813 216 G HN 0.451 8.741 8.290 -0.000 0.000 0.515 220 c N 0.661 119.291 118.600 0.050 0.000 3.246 220 c HA 0.798 5.368 4.570 0.001 0.000 0.204 220 c C 0.134 174.246 174.090 0.036 0.000 1.879 220 c CA -0.499 55.858 56.329 0.048 0.000 1.318 220 c CB -1.287 41.254 42.510 0.052 0.000 2.288 220 c HN 0.596 8.826 8.230 -0.000 0.000 0.530 221 R N 0.215 120.702 120.500 -0.021 0.000 3.513 221 R HA 0.127 4.468 4.340 0.001 0.000 0.243 221 R C -2.152 174.093 176.300 -0.092 0.000 1.033 221 R CA -0.591 55.488 56.100 -0.035 0.000 1.083 221 R CB 0.825 31.116 30.300 -0.015 0.000 1.246 221 R HN 0.269 8.539 8.270 -0.000 0.000 0.526 222 D N 0.542 120.902 120.400 -0.066 0.000 2.425 222 D HA 0.358 4.998 4.640 0.001 0.000 0.247 222 D C 1.287 177.525 176.300 -0.104 0.000 1.147 222 D CA 1.733 55.682 54.000 -0.084 0.000 0.879 222 D CB 0.917 41.699 40.800 -0.029 0.000 1.179 222 D HN 0.748 9.118 8.370 -0.000 0.000 0.456 223 G N 1.063 109.754 108.800 -0.180 0.000 2.217 223 G HA2 -0.279 3.681 3.960 0.001 0.000 0.246 223 G HA3 -0.279 3.681 3.960 0.001 0.000 0.246 223 G C 0.399 175.192 174.900 -0.179 0.000 0.990 223 G CA 0.029 45.069 45.100 -0.100 0.000 0.627 223 G HN 0.441 8.731 8.290 -0.000 0.000 0.522 224 K N -0.289 119.893 120.400 -0.363 0.000 2.208 224 K HA 0.819 5.139 4.320 0.001 0.000 0.247 224 K C -0.910 175.327 176.600 -0.605 0.000 0.953 224 K CA -0.706 55.437 56.287 -0.240 0.000 0.837 224 K CB 1.112 33.584 32.500 -0.047 0.000 1.131 224 K HN 0.227 8.477 8.250 -0.000 0.000 0.431 225 Y N -0.943 119.391 120.300 0.057 0.000 2.524 225 Y HA 0.505 5.055 4.550 0.000 0.000 0.347 225 Y C 0.660 176.483 175.900 -0.128 0.000 1.005 225 Y CA -1.373 56.689 58.100 -0.064 0.000 1.025 225 Y CB 2.158 40.498 38.460 -0.200 0.000 1.275 225 Y HN 0.652 8.932 8.280 -0.000 0.000 0.460 226 G N 1.361 110.170 108.800 0.016 0.000 2.432 226 G HA2 0.449 4.409 3.960 0.001 0.000 0.257 226 G HA3 0.449 4.409 3.960 0.001 0.000 0.257 226 G C -1.360 173.315 174.900 -0.376 0.000 1.238 226 G CA -0.123 44.908 45.100 -0.114 0.000 0.838 226 G HN 0.320 8.610 8.290 -0.000 0.000 0.547 227 F N 0.250 119.710 119.950 -0.816 0.000 2.450 227 F HA 0.570 5.098 4.527 0.001 0.000 0.332 227 F C -0.390 174.836 175.800 -0.957 0.000 1.093 227 F CA -0.502 56.976 58.000 -0.869 0.000 1.003 227 F CB 1.943 40.070 39.000 -1.455 0.000 1.151 227 F HN 0.308 8.608 8.300 -0.000 0.000 0.474 228 Y N -0.288 119.569 120.300 -0.739 0.000 2.462 228 Y HA 0.405 4.956 4.550 0.001 0.000 0.346 228 Y C 0.140 175.688 175.900 -0.587 0.000 0.976 228 Y CA -1.561 56.074 58.100 -0.775 0.000 1.044 228 Y CB 1.551 39.209 38.460 -1.337 0.000 1.230 228 Y HN 0.409 8.689 8.280 -0.000 0.000 0.455 229 T N 2.728 117.227 114.554 -0.091 0.000 2.834 229 T HA -0.034 4.316 4.350 0.001 0.000 0.298 229 T C -0.111 174.691 174.700 0.170 0.000 0.966 229 T CA -0.089 62.055 62.100 0.074 0.000 1.141 229 T CB -0.195 68.751 68.868 0.131 0.000 0.905 229 T HN 0.455 8.695 8.240 -0.000 0.000 0.535 230 H N 4.644 123.828 119.070 0.191 0.000 3.291 230 H HA 0.124 4.680 4.556 0.000 0.000 0.256 230 H C 1.086 176.567 175.328 0.255 0.000 1.315 230 H CA -0.565 55.682 56.048 0.332 0.000 1.521 230 H CB -0.216 29.723 29.762 0.296 0.000 1.621 230 H HN 0.403 8.683 8.280 -0.000 0.000 0.498 231 V N 5.908 126.077 119.914 0.425 0.000 2.282 231 V HA -0.313 3.807 4.120 0.001 0.000 0.249 231 V C 2.237 178.561 176.094 0.383 0.000 1.057 231 V CA 2.025 64.538 62.300 0.356 0.000 1.032 231 V CB -0.933 31.070 31.823 0.298 0.000 0.645 231 V HN 0.589 8.779 8.190 -0.000 0.000 0.447 232 F N 1.356 121.524 119.950 0.363 0.000 2.095 232 F HA -0.165 4.363 4.527 0.001 0.000 0.298 232 F C 2.587 178.486 175.800 0.166 0.000 1.104 232 F CA 1.705 59.855 58.000 0.251 0.000 1.232 232 F CB -0.383 38.766 39.000 0.248 0.000 0.987 232 F HN -0.049 8.251 8.300 -0.000 0.000 0.475 233 R N 0.116 120.629 120.500 0.022 0.000 2.303 233 R HA -0.078 4.262 4.340 0.001 0.000 0.225 233 R C 1.331 177.550 176.300 -0.134 0.000 1.114 233 R CA 1.071 57.008 56.100 -0.272 0.000 1.007 233 R CB -0.410 29.645 30.300 -0.408 0.000 0.861 233 R HN 0.392 8.662 8.270 -0.000 0.000 0.471 234 L N -0.510 120.717 121.223 0.007 0.000 2.959 234 L HA 0.151 4.492 4.340 0.001 0.000 0.259 234 L C 1.893 178.852 176.870 0.147 0.000 1.185 234 L CA -0.120 54.789 54.840 0.115 0.000 0.998 234 L CB 0.219 42.394 42.059 0.193 0.000 1.337 234 L HN -0.040 8.190 8.230 -0.000 0.000 0.555 235 K N 0.938 121.328 120.400 -0.016 0.000 2.097 235 K HA -0.204 4.116 4.320 0.001 0.000 0.206 235 K C 1.902 178.470 176.600 -0.054 0.000 1.049 235 K CA 1.323 57.591 56.287 -0.031 0.000 0.933 235 K CB 0.292 32.729 32.500 -0.105 0.000 0.717 235 K HN -0.036 8.214 8.250 -0.000 0.000 0.442 236 K N 0.023 120.376 120.400 -0.078 0.000 2.103 236 K HA -0.180 4.140 4.320 0.001 0.000 0.207 236 K C 1.445 178.036 176.600 -0.016 0.000 1.048 236 K CA 1.462 57.713 56.287 -0.061 0.000 0.930 236 K CB -0.487 31.981 32.500 -0.054 0.000 0.716 236 K HN 0.379 8.629 8.250 -0.000 0.000 0.444 237 W N 0.749 121.996 121.300 -0.088 0.000 2.379 237 W HA -0.064 4.595 4.660 -0.001 0.000 0.307 237 W C 1.443 177.872 176.519 -0.151 0.000 1.200 237 W CA 1.292 58.579 57.345 -0.098 0.000 1.297 237 W CB -0.289 29.165 29.460 -0.009 0.000 1.140 237 W HN -0.030 8.150 8.180 -0.000 0.000 0.507 238 I N 0.722 121.147 120.570 -0.242 0.000 2.163 238 I HA -0.394 3.776 4.170 0.001 0.000 0.243 238 I C 2.483 178.247 176.117 -0.589 0.000 1.085 238 I CA 1.867 62.853 61.300 -0.522 0.000 1.347 238 I CB -0.825 37.058 38.000 -0.195 0.000 1.044 238 I HN 0.098 8.308 8.210 -0.000 0.000 0.408 239 Q N 0.236 119.808 119.800 -0.379 0.000 2.226 239 Q HA -0.229 4.111 4.340 0.001 0.000 0.204 239 Q C 2.089 177.831 176.000 -0.430 0.000 0.975 239 Q CA 1.123 56.708 55.803 -0.363 0.000 0.866 239 Q CB -0.035 28.572 28.738 -0.218 0.000 0.915 239 Q HN 0.233 8.503 8.270 -0.000 0.000 0.440 240 K N 0.229 120.360 120.400 -0.449 0.000 2.103 240 K HA -0.096 4.224 4.320 0.001 0.000 0.204 240 K C 1.885 178.142 176.600 -0.570 0.000 1.052 240 K CA 0.939 56.974 56.287 -0.420 0.000 0.945 240 K CB -0.237 32.072 32.500 -0.319 0.000 0.722 240 K HN 0.212 8.462 8.250 -0.000 0.000 0.443 241 V N -1.051 118.363 119.914 -0.834 0.000 2.725 241 V HA 0.036 4.157 4.120 0.001 0.000 0.247 241 V C 1.737 177.179 176.094 -1.087 0.000 1.058 241 V CA 0.914 62.666 62.300 -0.912 0.000 1.080 241 V CB -0.185 30.965 31.823 -1.121 0.000 0.713 241 V HN 0.212 8.402 8.190 -0.000 0.000 0.465 242 I N 2.192 122.052 120.570 -1.184 0.000 2.252 242 I HA -0.165 4.006 4.170 0.001 0.000 0.245 242 I C 2.537 177.899 176.117 -1.257 0.000 1.102 242 I CA 2.274 62.761 61.300 -1.356 0.000 1.385 242 I CB -0.478 36.841 38.000 -1.135 0.000 1.064 242 I HN 0.570 8.780 8.210 -0.000 0.000 0.414 243 D N 0.280 120.178 120.400 -0.837 0.000 2.289 243 D HA -0.224 4.416 4.640 0.001 0.000 0.207 243 D C 1.898 177.858 176.300 -0.566 0.000 0.966 243 D CA 0.831 54.486 54.000 -0.576 0.000 0.868 243 D CB 0.031 40.644 40.800 -0.311 0.000 0.943 243 D HN 0.519 8.889 8.370 -0.000 0.000 0.514 244 Q N -0.582 118.824 119.800 -0.657 0.000 2.388 244 Q HA 0.110 4.450 4.340 0.001 0.000 0.204 244 Q C -0.292 175.659 176.000 -0.082 0.000 0.946 244 Q CA 0.128 55.763 55.803 -0.279 0.000 0.880 244 Q CB 0.494 29.102 28.738 -0.217 0.000 0.997 244 Q HN 0.112 8.382 8.270 -0.000 0.000 0.552 245 F N 0.000 119.868 119.950 -0.137 0.000 2.286 245 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 245 F CA 0.000 57.950 58.000 -0.083 0.000 1.383 245 F CB 0.000 39.060 39.000 0.099 0.000 1.145 245 F HN 0.000 8.300 8.300 -0.000 0.000 0.574