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 1mep_1_A DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYNQL GSTFIVTAGA DGALTGTYEA AVGNAESRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAWKNNYRN AHSATTWSGQ YVGGAEARIN TQWLLTSGTT DATA SEQUENCE EANAWKSTLV GHATFTKVK 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 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 16 G HA3 0.000 3.953 3.960 -0.011 0.000 0.244 16 G C 0.000 174.777 174.900 -0.204 0.000 0.946 16 G CA 0.000 45.053 45.100 -0.079 0.000 0.502 17 I N 2.295 122.588 120.570 -0.461 0.000 2.584 17 I HA 0.113 4.276 4.170 -0.011 0.000 0.255 17 I C 0.975 177.079 176.117 -0.022 0.000 1.145 17 I CA 0.755 61.859 61.300 -0.327 0.000 1.462 17 I CB 0.057 37.662 38.000 -0.658 0.000 1.102 17 I HN 0.003 8.213 8.210 -0.000 0.000 0.433 18 T N 1.994 116.443 114.554 -0.175 0.000 2.908 18 T HA 0.396 4.740 4.350 -0.011 0.000 0.301 18 T C 0.351 174.952 174.700 -0.166 0.000 1.019 18 T CA 0.854 62.847 62.100 -0.178 0.000 1.152 18 T CB 0.414 69.179 68.868 -0.172 0.000 0.966 18 T HN 0.656 8.896 8.240 -0.000 0.000 0.540 19 G N 2.644 111.304 108.800 -0.235 0.000 2.320 19 G HA2 0.221 4.174 3.960 -0.011 0.000 0.274 19 G HA3 0.221 4.174 3.960 -0.011 0.000 0.274 19 G C -0.858 173.775 174.900 -0.444 0.000 1.324 19 G CA -0.953 43.944 45.100 -0.339 0.000 0.957 19 G HN 0.688 8.978 8.290 -0.000 0.000 0.481 20 T N 0.596 114.820 114.554 -0.550 0.000 2.799 20 T HA 0.607 4.951 4.350 -0.011 0.000 0.286 20 T C -1.060 173.135 174.700 -0.841 0.000 0.973 20 T CA 0.282 62.025 62.100 -0.596 0.000 1.035 20 T CB 0.921 69.497 68.868 -0.487 0.000 0.932 20 T HN 0.462 8.702 8.240 -0.000 0.000 0.469 21 W N 1.771 122.682 121.300 -0.648 0.000 2.844 21 W HA 0.622 5.275 4.660 -0.010 0.000 0.340 21 W C -1.254 175.066 176.519 -0.332 0.000 1.093 21 W CA -0.917 56.215 57.345 -0.356 0.000 1.212 21 W CB 1.311 30.701 29.460 -0.116 0.000 1.422 21 W HN 0.554 8.734 8.180 -0.000 0.000 0.515 22 Y N 2.408 123.017 120.300 0.515 0.000 2.462 22 Y HA 0.364 4.907 4.550 -0.011 0.000 0.346 22 Y C 0.348 176.412 175.900 0.273 0.000 0.976 22 Y CA -1.308 56.999 58.100 0.345 0.000 1.044 22 Y CB 1.321 39.878 38.460 0.162 0.000 1.230 22 Y HN 0.423 8.703 8.280 -0.000 0.000 0.455 23 N N 0.063 118.893 118.700 0.217 0.000 2.592 23 N HA 0.217 4.950 4.740 -0.011 0.000 0.292 23 N C 0.319 175.849 175.510 0.035 0.000 1.260 23 N CA -0.719 52.263 53.050 -0.113 0.000 0.910 23 N CB 0.781 38.950 38.487 -0.530 0.000 1.257 23 N HN 0.517 8.897 8.380 -0.000 0.000 0.569 24 Q N -0.554 119.250 119.800 0.006 0.000 2.378 24 Q HA 0.191 4.525 4.340 -0.011 0.000 0.205 24 Q C 1.336 177.362 176.000 0.044 0.000 0.954 24 Q CA 0.557 56.382 55.803 0.038 0.000 0.901 24 Q CB -0.103 28.659 28.738 0.040 0.000 0.981 24 Q HN 0.614 8.884 8.270 -0.000 0.000 0.483 25 L N -1.301 119.952 121.223 0.050 0.000 2.418 25 L HA 0.028 4.361 4.340 -0.011 0.000 0.218 25 L C 1.216 178.128 176.870 0.071 0.000 1.125 25 L CA 0.848 55.725 54.840 0.061 0.000 0.835 25 L CB 0.022 42.126 42.059 0.076 0.000 0.953 25 L HN 0.367 8.597 8.230 -0.000 0.000 0.454 26 G N -0.284 108.569 108.800 0.088 0.000 2.179 26 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.220 26 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.220 26 G C 0.375 175.357 174.900 0.136 0.000 0.990 26 G CA 0.275 45.432 45.100 0.095 0.000 0.646 26 G HN 0.418 8.708 8.290 -0.000 0.000 0.517 27 S N -0.445 115.353 115.700 0.164 0.000 2.645 27 S HA 0.765 5.229 4.470 -0.011 0.000 0.266 27 S C -0.058 174.620 174.600 0.130 0.000 1.258 27 S CA 0.449 58.741 58.200 0.155 0.000 0.990 27 S CB 2.147 65.503 63.200 0.259 0.000 0.967 27 S HN 0.619 8.929 8.310 -0.000 0.000 0.556 28 T N 1.972 116.498 114.554 -0.046 0.000 2.881 28 T HA 0.547 4.890 4.350 -0.011 0.000 0.290 28 T C -1.501 173.035 174.700 -0.273 0.000 1.000 28 T CA -0.389 61.680 62.100 -0.051 0.000 0.978 28 T CB 0.805 69.697 68.868 0.040 0.000 0.997 28 T HN 0.608 8.848 8.240 -0.000 0.000 0.443 29 F N 4.336 124.028 119.950 -0.429 0.000 2.507 29 F HA 0.790 5.311 4.527 -0.010 0.000 0.328 29 F C -1.773 173.811 175.800 -0.361 0.000 1.136 29 F CA -1.531 56.145 58.000 -0.540 0.000 0.930 29 F CB 0.553 39.104 39.000 -0.748 0.000 1.166 29 F HN 0.384 8.684 8.300 -0.000 0.000 0.436 30 I N 6.673 127.010 120.570 -0.390 0.000 2.377 30 I HA 0.631 4.794 4.170 -0.011 0.000 0.293 30 I C -0.854 174.931 176.117 -0.553 0.000 0.987 30 I CA -0.729 60.306 61.300 -0.442 0.000 1.185 30 I CB 1.709 39.558 38.000 -0.252 0.000 1.341 30 I HN 0.595 8.805 8.210 -0.000 0.000 0.455 31 V N 5.306 124.859 119.914 -0.602 0.000 3.012 31 V HA 0.607 4.721 4.120 -0.011 0.000 0.307 31 V C -0.849 175.028 176.094 -0.361 0.000 1.166 31 V CA -0.145 61.819 62.300 -0.559 0.000 0.974 31 V CB 2.772 34.036 31.823 -0.930 0.000 1.040 31 V HN 0.741 8.931 8.190 -0.000 0.000 0.428 32 T N 5.078 119.474 114.554 -0.265 0.000 2.792 32 T HA 0.713 5.056 4.350 -0.011 0.000 0.280 32 T C -0.266 174.316 174.700 -0.195 0.000 0.990 32 T CA 0.076 62.055 62.100 -0.202 0.000 0.960 32 T CB 1.431 70.219 68.868 -0.134 0.000 0.939 32 T HN 1.114 9.354 8.240 -0.000 0.000 0.439 33 A N 2.941 125.617 122.820 -0.241 0.000 2.294 33 A HA 0.708 5.021 4.320 -0.011 0.000 0.316 33 A C 0.899 178.458 177.584 -0.042 0.000 1.359 33 A CA -0.652 51.211 52.037 -0.289 0.000 0.956 33 A CB -0.070 18.478 19.000 -0.753 0.000 1.155 33 A HN 0.953 9.103 8.150 -0.000 0.000 0.544 34 G N 0.657 109.518 108.800 0.101 0.000 2.636 34 G HA2 0.425 4.379 3.960 -0.011 0.000 0.246 34 G HA3 0.425 4.379 3.960 -0.011 0.000 0.246 34 G C 1.077 176.089 174.900 0.186 0.000 1.216 34 G CA 0.120 45.290 45.100 0.116 0.000 0.854 34 G HN 1.297 9.587 8.290 -0.000 0.000 0.572 35 A N 0.079 122.956 122.820 0.094 0.000 2.066 35 A HA -0.002 4.311 4.320 -0.011 0.000 0.218 35 A C 1.885 179.489 177.584 0.033 0.000 1.157 35 A CA 1.863 53.947 52.037 0.078 0.000 0.670 35 A CB -0.110 18.913 19.000 0.038 0.000 0.804 35 A HN 0.705 8.855 8.150 -0.000 0.000 0.453 36 D N -2.630 117.780 120.400 0.016 0.000 2.367 36 D HA 0.242 4.876 4.640 -0.011 0.000 0.207 36 D C 1.123 177.360 176.300 -0.106 0.000 1.034 36 D CA 1.139 55.117 54.000 -0.036 0.000 0.861 36 D CB -0.038 40.754 40.800 -0.013 0.000 0.943 36 D HN 0.686 9.056 8.370 -0.000 0.000 0.515 37 G N -0.010 108.720 108.800 -0.116 0.000 2.227 37 G HA2 0.026 3.979 3.960 -0.011 0.000 0.168 37 G HA3 0.026 3.979 3.960 -0.011 0.000 0.168 37 G C 0.350 175.302 174.900 0.088 0.000 1.006 37 G CA 0.019 44.935 45.100 -0.305 0.000 0.684 37 G HN 0.677 8.967 8.290 -0.000 0.000 0.489 38 A N 0.393 123.314 122.820 0.169 0.000 2.354 38 A HA 0.763 5.076 4.320 -0.011 0.000 0.269 38 A C -0.267 177.438 177.584 0.202 0.000 1.109 38 A CA 0.005 52.139 52.037 0.162 0.000 0.800 38 A CB 0.809 19.860 19.000 0.084 0.000 1.045 38 A HN 0.765 8.915 8.150 -0.000 0.000 0.489 39 L N 2.416 123.728 121.223 0.147 0.000 2.305 39 L HA 0.623 4.956 4.340 -0.011 0.000 0.284 39 L C 0.561 177.439 176.870 0.014 0.000 1.013 39 L CA 0.376 55.243 54.840 0.046 0.000 0.819 39 L CB 1.411 43.523 42.059 0.088 0.000 1.227 39 L HN 0.910 9.140 8.230 -0.000 0.000 0.417 40 T N 0.192 114.717 114.554 -0.048 0.000 2.900 40 T HA 0.989 5.332 4.350 -0.011 0.000 0.295 40 T C -0.152 174.491 174.700 -0.095 0.000 1.044 40 T CA -0.156 61.919 62.100 -0.041 0.000 0.995 40 T CB 2.348 71.200 68.868 -0.027 0.000 1.072 40 T HN 0.900 9.140 8.240 -0.000 0.000 0.473 41 G N 1.011 109.770 108.800 -0.069 0.000 2.452 41 G HA2 0.559 4.512 3.960 -0.011 0.000 0.224 41 G HA3 0.559 4.512 3.960 -0.011 0.000 0.224 41 G C -0.813 174.067 174.900 -0.033 0.000 1.208 41 G CA -0.060 44.984 45.100 -0.092 0.000 0.946 41 G HN 1.629 9.919 8.290 -0.000 0.000 0.481 42 T N -2.672 111.865 114.554 -0.029 0.000 2.903 42 T HA 0.679 5.023 4.350 -0.011 0.000 0.299 42 T C -1.685 173.088 174.700 0.120 0.000 1.093 42 T CA -0.583 61.552 62.100 0.058 0.000 1.002 42 T CB 2.477 71.372 68.868 0.045 0.000 1.127 42 T HN 1.143 9.383 8.240 -0.000 0.000 0.488 43 Y N 0.661 121.017 120.300 0.094 0.000 2.393 43 Y HA 0.606 5.150 4.550 -0.011 0.000 0.341 43 Y C -0.257 175.822 175.900 0.299 0.000 0.988 43 Y CA -0.981 57.208 58.100 0.148 0.000 1.078 43 Y CB 1.991 40.485 38.460 0.056 0.000 1.203 43 Y HN 0.956 9.236 8.280 -0.000 0.000 0.453 44 E N 4.394 124.694 120.200 0.166 0.000 2.141 44 E HA 0.667 5.010 4.350 -0.011 0.000 0.259 44 E C -1.353 175.464 176.600 0.362 0.000 0.883 44 E CA -0.710 55.874 56.400 0.307 0.000 0.744 44 E CB 0.733 30.511 29.700 0.131 0.000 1.150 44 E HN 0.769 9.129 8.360 -0.000 0.000 0.420 45 A N 3.203 126.370 122.820 0.579 0.000 2.302 45 A HA 0.641 4.955 4.320 -0.011 0.000 0.285 45 A C 0.526 178.233 177.584 0.205 0.000 1.105 45 A CA 0.222 52.519 52.037 0.434 0.000 0.816 45 A CB 1.191 20.287 19.000 0.160 0.000 1.067 45 A HN 0.775 8.925 8.150 -0.000 0.000 0.489 46 A N 0.940 123.843 122.820 0.139 0.000 2.469 46 A HA 0.495 4.808 4.320 -0.011 0.000 0.245 46 A C 0.475 178.076 177.584 0.028 0.000 1.221 46 A CA 0.791 52.876 52.037 0.079 0.000 0.946 46 A CB -0.386 18.664 19.000 0.084 0.000 1.049 46 A HN 1.968 10.118 8.150 -0.000 0.000 0.529 47 V N -4.148 115.762 119.914 -0.006 0.000 3.040 47 V HA 0.952 5.065 4.120 -0.011 0.000 0.312 47 V C 0.024 176.022 176.094 -0.161 0.000 1.115 47 V CA -0.194 62.069 62.300 -0.061 0.000 0.998 47 V CB 0.910 32.705 31.823 -0.047 0.000 1.042 47 V HN 1.892 10.082 8.190 -0.000 0.000 0.433 48 G N 1.648 110.342 108.800 -0.177 0.000 2.603 48 G HA2 -0.170 3.783 3.960 -0.011 0.000 0.686 48 G HA3 -0.170 3.783 3.960 -0.011 0.000 0.686 48 G C -0.420 174.334 174.900 -0.244 0.000 1.286 48 G CA -0.138 44.789 45.100 -0.289 0.000 0.871 48 G HN 1.587 9.877 8.290 -0.000 0.000 0.568 49 N N 0.691 119.226 118.700 -0.276 0.000 3.103 49 N HA 0.482 5.216 4.740 -0.011 0.000 0.305 49 N C 0.212 175.624 175.510 -0.164 0.000 1.232 49 N CA 0.449 53.394 53.050 -0.174 0.000 1.190 49 N CB -0.363 38.037 38.487 -0.146 0.000 1.461 49 N HN 1.150 9.530 8.380 -0.000 0.000 0.538 50 A N 2.284 125.047 122.820 -0.095 0.000 2.520 50 A HA 0.471 4.785 4.320 -0.011 0.000 0.298 50 A C -1.177 176.527 177.584 0.201 0.000 1.051 50 A CA -0.797 51.281 52.037 0.068 0.000 0.690 50 A CB 1.391 20.276 19.000 -0.190 0.000 1.281 50 A HN 0.632 8.782 8.150 -0.000 0.000 0.402 51 E N 1.375 121.798 120.200 0.373 0.000 2.343 51 E HA 0.709 5.053 4.350 -0.011 0.000 0.278 51 E C -0.137 176.494 176.600 0.051 0.000 0.910 51 E CA -0.200 56.288 56.400 0.146 0.000 0.757 51 E CB 1.636 31.349 29.700 0.021 0.000 1.218 51 E HN 1.341 9.701 8.360 -0.000 0.000 0.435 52 S N 0.397 116.059 115.700 -0.063 0.000 3.443 52 S HA -0.200 4.263 4.470 -0.011 0.000 0.635 52 S C -0.390 174.212 174.600 0.003 0.000 2.555 52 S CA 0.616 58.724 58.200 -0.153 0.000 2.778 52 S CB -0.274 62.670 63.200 -0.427 0.000 0.331 52 S HN 0.699 9.009 8.310 -0.000 0.000 1.765 53 R N -0.215 120.251 120.500 -0.057 0.000 2.500 53 R HA 0.609 4.943 4.340 -0.011 0.000 0.277 53 R C -1.073 175.161 176.300 -0.111 0.000 1.026 53 R CA -0.200 55.935 56.100 0.059 0.000 1.058 53 R CB 0.574 30.898 30.300 0.041 0.000 1.078 53 R HN 0.507 8.777 8.270 -0.000 0.000 0.509 54 Y N -0.437 119.962 120.300 0.165 0.000 2.512 54 Y HA 0.255 4.799 4.550 -0.010 0.000 0.348 54 Y C -0.017 175.905 175.900 0.037 0.000 0.990 54 Y CA -1.162 56.995 58.100 0.095 0.000 1.033 54 Y CB 1.750 40.231 38.460 0.035 0.000 1.259 54 Y HN 0.182 8.462 8.280 -0.000 0.000 0.461 55 V N 4.722 124.719 119.914 0.140 0.000 2.655 55 V HA 0.128 4.241 4.120 -0.011 0.000 0.300 55 V C -0.169 175.961 176.094 0.061 0.000 1.044 55 V CA -0.056 62.289 62.300 0.075 0.000 1.095 55 V CB 0.144 31.995 31.823 0.047 0.000 0.952 55 V HN 0.558 8.748 8.190 -0.000 0.000 0.485 56 L N 3.411 124.669 121.223 0.058 0.000 2.341 56 L HA 1.071 5.404 4.340 -0.011 0.000 0.267 56 L C -0.250 176.663 176.870 0.072 0.000 1.009 56 L CA -0.259 54.628 54.840 0.078 0.000 0.819 56 L CB 2.380 44.491 42.059 0.088 0.000 1.323 56 L HN 0.704 8.934 8.230 -0.000 0.000 0.425 57 T N -1.008 113.620 114.554 0.124 0.000 2.894 57 T HA 0.967 5.311 4.350 -0.011 0.000 0.309 57 T C -0.341 174.470 174.700 0.184 0.000 1.208 57 T CA 0.026 62.193 62.100 0.112 0.000 1.016 57 T CB 1.563 70.476 68.868 0.075 0.000 1.192 57 T HN 1.526 9.766 8.240 -0.000 0.000 0.491 58 G N 1.296 110.199 108.800 0.172 0.000 2.427 58 G HA2 0.656 4.609 3.960 -0.011 0.000 0.306 58 G HA3 0.656 4.609 3.960 -0.011 0.000 0.306 58 G C -1.997 173.015 174.900 0.187 0.000 1.280 58 G CA -0.990 44.241 45.100 0.220 0.000 0.837 58 G HN 0.766 9.056 8.290 -0.000 0.000 0.482 59 R N -1.082 119.546 120.500 0.212 0.000 2.740 59 R HA 0.614 4.947 4.340 -0.011 0.000 0.273 59 R C -1.665 174.800 176.300 0.275 0.000 0.998 59 R CA -0.656 55.561 56.100 0.195 0.000 0.900 59 R CB 1.777 32.138 30.300 0.101 0.000 1.223 59 R HN 0.923 9.193 8.270 -0.000 0.000 0.466 60 Y N -2.175 118.157 120.300 0.054 0.000 2.588 60 Y HA 0.421 4.964 4.550 -0.011 0.000 0.343 60 Y C -0.694 175.228 175.900 0.036 0.000 1.065 60 Y CA -1.701 56.431 58.100 0.052 0.000 1.038 60 Y CB 0.959 39.437 38.460 0.030 0.000 1.297 60 Y HN 0.440 8.720 8.280 -0.000 0.000 0.467 61 D N 1.606 121.975 120.400 -0.051 0.000 2.349 61 D HA 0.084 4.717 4.640 -0.011 0.000 0.266 61 D C 0.737 176.850 176.300 -0.311 0.000 1.293 61 D CA 0.739 54.652 54.000 -0.144 0.000 0.926 61 D CB 0.746 41.555 40.800 0.015 0.000 1.090 61 D HN 0.703 9.073 8.370 -0.000 0.000 0.502 62 S N 2.296 117.684 115.700 -0.518 0.000 2.605 62 S HA 0.300 4.764 4.470 -0.011 0.000 0.217 62 S C 0.589 175.123 174.600 -0.110 0.000 0.958 62 S CA -0.178 57.754 58.200 -0.447 0.000 0.919 62 S CB 0.282 63.136 63.200 -0.576 0.000 0.780 62 S HN 0.424 8.734 8.310 -0.000 0.000 0.507 63 A N 2.682 125.459 122.820 -0.071 0.000 3.216 63 A HA 0.609 4.922 4.320 -0.011 0.000 0.321 63 A C -2.528 175.067 177.584 0.017 0.000 1.042 63 A CA -1.268 50.764 52.037 -0.009 0.000 0.838 63 A CB 0.385 19.375 19.000 -0.017 0.000 1.136 63 A HN 0.438 8.588 8.150 -0.000 0.000 0.483 64 P HA 0.391 4.811 4.420 -0.000 0.000 0.274 64 P C 0.433 177.769 177.300 0.061 0.000 1.260 64 P CA -0.070 63.073 63.100 0.072 0.000 0.793 64 P CB 0.667 32.441 31.700 0.123 0.000 1.048 65 A N 0.595 123.452 122.820 0.060 0.000 2.520 65 A HA 0.262 4.576 4.320 -0.011 0.000 0.235 65 A C 1.226 178.846 177.584 0.061 0.000 1.065 65 A CA 0.657 52.725 52.037 0.052 0.000 0.764 65 A CB -0.691 18.338 19.000 0.048 0.000 1.002 65 A HN 0.658 8.808 8.150 -0.000 0.000 0.502 66 T N -1.766 112.818 114.554 0.050 0.000 3.044 66 T HA 0.087 4.431 4.350 -0.011 0.000 0.260 66 T C 0.523 175.250 174.700 0.045 0.000 1.019 66 T CA 0.557 62.688 62.100 0.052 0.000 0.921 66 T CB -0.040 68.855 68.868 0.044 0.000 1.053 66 T HN 0.727 8.967 8.240 -0.000 0.000 0.533 67 D N 1.540 121.964 120.400 0.041 0.000 2.338 67 D HA 0.189 4.822 4.640 -0.011 0.000 0.239 67 D C 1.647 177.967 176.300 0.034 0.000 1.095 67 D CA 0.569 54.590 54.000 0.034 0.000 0.888 67 D CB -0.687 40.131 40.800 0.030 0.000 0.899 67 D HN 0.557 8.927 8.370 -0.000 0.000 0.525 68 G N -0.400 108.424 108.800 0.041 0.000 2.217 68 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.246 68 G HA3 -0.275 3.679 3.960 -0.011 0.000 0.246 68 G C 0.446 175.370 174.900 0.039 0.000 0.990 68 G CA 0.169 45.291 45.100 0.037 0.000 0.627 68 G HN 0.435 8.725 8.290 -0.000 0.000 0.522 69 S N 0.988 116.715 115.700 0.045 0.000 2.573 69 S HA 0.496 4.959 4.470 -0.011 0.000 0.277 69 S C 1.275 175.915 174.600 0.066 0.000 1.346 69 S CA 0.265 58.495 58.200 0.049 0.000 1.034 69 S CB 0.967 64.197 63.200 0.050 0.000 0.879 69 S HN 1.290 9.600 8.310 -0.000 0.000 0.528 70 G N 1.170 110.011 108.800 0.067 0.000 2.684 70 G HA2 0.355 4.308 3.960 -0.011 0.000 0.255 70 G HA3 0.355 4.308 3.960 -0.011 0.000 0.255 70 G C -0.571 174.414 174.900 0.143 0.000 1.219 70 G CA -0.423 44.732 45.100 0.093 0.000 0.901 70 G HN 0.592 8.882 8.290 -0.000 0.000 0.548 71 T N 0.849 115.534 114.554 0.218 0.000 2.770 71 T HA 0.557 4.900 4.350 -0.011 0.000 0.297 71 T C 0.591 175.425 174.700 0.222 0.000 0.997 71 T CA 0.007 62.255 62.100 0.246 0.000 0.949 71 T CB 1.066 70.143 68.868 0.348 0.000 0.941 71 T HN 0.826 9.066 8.240 -0.000 0.000 0.457 72 A N 4.525 127.446 122.820 0.169 0.000 2.445 72 A HA 0.773 5.086 4.320 -0.011 0.000 0.242 72 A C 0.115 177.815 177.584 0.194 0.000 1.075 72 A CA -0.403 51.725 52.037 0.152 0.000 0.777 72 A CB -0.006 19.056 19.000 0.104 0.000 1.013 72 A HN 0.965 9.115 8.150 -0.000 0.000 0.493 73 L N -1.395 119.944 121.223 0.194 0.000 2.838 73 L HA 0.967 5.301 4.340 -0.011 0.000 0.266 73 L C -0.376 176.626 176.870 0.219 0.000 1.040 73 L CA -0.524 54.464 54.840 0.247 0.000 0.906 73 L CB 1.443 43.682 42.059 0.300 0.000 1.501 73 L HN 1.202 9.432 8.230 -0.000 0.000 0.407 74 G N -0.326 108.631 108.800 0.262 0.000 2.673 74 G HA2 0.679 4.632 3.960 -0.011 0.000 0.292 74 G HA3 0.679 4.632 3.960 -0.011 0.000 0.292 74 G C -2.495 172.613 174.900 0.347 0.000 1.450 74 G CA -0.237 44.975 45.100 0.187 0.000 0.837 74 G HN 1.263 9.553 8.290 -0.000 0.000 0.505 75 W N -0.482 120.882 121.300 0.108 0.000 3.074 75 W HA 0.802 5.456 4.660 -0.009 0.000 0.332 75 W C -1.048 175.563 176.519 0.153 0.000 1.253 75 W CA -1.263 56.130 57.345 0.080 0.000 1.180 75 W CB 1.056 30.515 29.460 -0.003 0.000 1.445 75 W HN 0.596 8.776 8.180 -0.000 0.000 0.573 76 T N 1.789 116.513 114.554 0.283 0.000 2.863 76 T HA 0.622 4.965 4.350 -0.011 0.000 0.285 76 T C -1.419 173.366 174.700 0.140 0.000 1.009 76 T CA -0.663 61.524 62.100 0.146 0.000 0.989 76 T CB 1.833 70.730 68.868 0.049 0.000 1.004 76 T HN 0.434 8.674 8.240 -0.000 0.000 0.455 77 V N 2.237 122.127 119.914 -0.040 0.000 2.443 77 V HA 0.689 4.802 4.120 -0.011 0.000 0.293 77 V C 0.017 175.753 176.094 -0.596 0.000 1.021 77 V CA -1.005 61.064 62.300 -0.385 0.000 0.848 77 V CB 1.438 32.756 31.823 -0.842 0.000 0.998 77 V HN 1.115 9.305 8.190 -0.000 0.000 0.424 78 A N 4.242 126.849 122.820 -0.354 0.000 2.309 78 A HA 0.490 4.803 4.320 -0.011 0.000 0.290 78 A C -0.325 177.106 177.584 -0.254 0.000 1.206 78 A CA -0.355 51.532 52.037 -0.251 0.000 0.850 78 A CB 0.086 19.055 19.000 -0.052 0.000 1.118 78 A HN 0.950 9.100 8.150 -0.000 0.000 0.523 79 W N 2.628 123.893 121.300 -0.057 0.000 1.992 79 W HA 0.268 4.922 4.660 -0.011 0.000 0.449 79 W C 0.858 177.445 176.519 0.113 0.000 0.617 79 W CA 0.027 57.251 57.345 -0.202 0.000 2.341 79 W CB 0.079 29.346 29.460 -0.322 0.000 1.156 79 W HN 0.615 8.795 8.180 -0.000 0.000 0.538 80 K N 2.679 123.321 120.400 0.404 0.000 2.376 80 K HA 0.264 4.578 4.320 -0.011 0.000 0.257 80 K C -0.295 176.502 176.600 0.329 0.000 0.939 80 K CA -0.503 55.986 56.287 0.338 0.000 0.809 80 K CB 0.747 33.346 32.500 0.166 0.000 1.121 80 K HN 0.129 8.379 8.250 -0.000 0.000 0.425 81 N N 1.870 120.693 118.700 0.204 0.000 3.387 81 N HA 0.206 4.940 4.740 -0.011 0.000 0.322 81 N C -0.093 175.411 175.510 -0.011 0.000 1.588 81 N CA -0.715 52.337 53.050 0.003 0.000 0.778 81 N CB -0.054 38.259 38.487 -0.290 0.000 1.883 81 N HN 0.387 8.767 8.380 -0.000 0.000 0.628 82 N N -1.047 117.594 118.700 -0.099 0.000 2.453 82 N HA -0.038 4.696 4.740 -0.011 0.000 0.183 82 N C 0.429 175.736 175.510 -0.339 0.000 1.041 82 N CA 1.102 53.991 53.050 -0.268 0.000 0.900 82 N CB -0.346 37.874 38.487 -0.444 0.000 0.961 82 N HN 0.510 8.890 8.380 -0.000 0.000 0.443 83 Y N -0.088 120.188 120.300 -0.040 0.000 2.524 83 Y HA 0.245 4.789 4.550 -0.011 0.000 0.270 83 Y C 1.082 176.995 175.900 0.022 0.000 1.094 83 Y CA -0.250 57.844 58.100 -0.011 0.000 1.276 83 Y CB 0.533 38.981 38.460 -0.020 0.000 1.130 83 Y HN -0.026 8.254 8.280 -0.000 0.000 0.536 84 R N -0.822 119.796 120.500 0.196 0.000 2.752 84 R HA 0.368 4.701 4.340 -0.011 0.000 0.277 84 R C -2.112 174.283 176.300 0.157 0.000 1.024 84 R CA -0.968 55.224 56.100 0.152 0.000 0.866 84 R CB 0.879 31.279 30.300 0.167 0.000 1.278 84 R HN -0.110 8.160 8.270 -0.000 0.000 0.473 85 N N -0.571 118.158 118.700 0.048 0.000 2.533 85 N HA 0.398 5.131 4.740 -0.011 0.000 0.289 85 N C -0.830 174.538 175.510 -0.236 0.000 1.103 85 N CA -0.038 52.971 53.050 -0.069 0.000 0.877 85 N CB 2.304 40.678 38.487 -0.187 0.000 1.419 85 N HN 0.727 9.107 8.380 -0.000 0.000 0.517 86 A N 2.215 124.979 122.820 -0.094 0.000 2.275 86 A HA 0.127 4.441 4.320 -0.011 0.000 0.212 86 A C 0.001 177.555 177.584 -0.050 0.000 1.201 86 A CA 0.123 52.106 52.037 -0.090 0.000 0.843 86 A CB -0.544 18.426 19.000 -0.049 0.000 0.873 86 A HN 0.798 8.948 8.150 -0.000 0.000 0.492 87 H N 0.584 119.711 119.070 0.094 0.000 2.591 87 H HA -0.147 4.403 4.556 -0.011 0.000 0.325 87 H C 0.163 175.531 175.328 0.066 0.000 1.096 87 H CA 0.984 57.074 56.048 0.070 0.000 1.108 87 H CB -1.924 27.861 29.762 0.039 0.000 1.590 87 H HN 0.848 9.128 8.280 -0.000 0.000 0.399 88 S N -1.514 114.300 115.700 0.189 0.000 2.587 88 S HA 0.881 5.344 4.470 -0.011 0.000 0.269 88 S C -0.980 173.769 174.600 0.248 0.000 1.154 88 S CA -0.463 57.844 58.200 0.178 0.000 0.824 88 S CB 2.854 66.128 63.200 0.123 0.000 1.118 88 S HN 1.002 9.312 8.310 -0.000 0.000 0.462 89 A N 0.859 123.786 122.820 0.178 0.000 2.520 89 A HA 0.837 5.150 4.320 -0.011 0.000 0.298 89 A C -0.567 177.026 177.584 0.016 0.000 1.051 89 A CA -0.702 51.358 52.037 0.037 0.000 0.690 89 A CB 1.728 20.713 19.000 -0.024 0.000 1.281 89 A HN 0.892 9.042 8.150 -0.000 0.000 0.402 90 T N 1.944 116.434 114.554 -0.107 0.000 2.856 90 T HA 0.719 5.063 4.350 -0.011 0.000 0.283 90 T C 0.014 174.466 174.700 -0.414 0.000 1.008 90 T CA -0.092 61.814 62.100 -0.324 0.000 0.997 90 T CB 1.444 69.922 68.868 -0.650 0.000 0.992 90 T HN 1.039 9.279 8.240 -0.000 0.000 0.454 91 T N 0.114 114.409 114.554 -0.432 0.000 2.829 91 T HA 0.603 4.946 4.350 -0.011 0.000 0.280 91 T C -0.997 173.408 174.700 -0.493 0.000 0.999 91 T CA -0.873 61.034 62.100 -0.321 0.000 0.983 91 T CB 1.092 69.866 68.868 -0.158 0.000 0.968 91 T HN 0.557 8.797 8.240 -0.000 0.000 0.446 92 W N 1.887 122.802 121.300 -0.641 0.000 2.429 92 W HA 0.562 5.217 4.660 -0.008 0.000 0.314 92 W C 0.102 176.294 176.519 -0.544 0.000 1.062 92 W CA -0.874 56.058 57.345 -0.689 0.000 1.211 92 W CB 2.165 30.720 29.460 -1.508 0.000 1.305 92 W HN 0.692 8.872 8.180 -0.000 0.000 0.476 93 S N 1.973 117.627 115.700 -0.076 0.000 2.473 93 S HA 0.873 5.336 4.470 -0.011 0.000 0.307 93 S C -0.055 174.571 174.600 0.043 0.000 1.094 93 S CA -0.063 58.124 58.200 -0.021 0.000 1.070 93 S CB 1.304 64.493 63.200 -0.018 0.000 1.019 93 S HN 0.734 9.044 8.310 -0.000 0.000 0.480 94 G N 2.692 111.543 108.800 0.085 0.000 2.500 94 G HA2 0.545 4.498 3.960 -0.011 0.000 0.299 94 G HA3 0.545 4.498 3.960 -0.011 0.000 0.299 94 G C -2.128 172.857 174.900 0.142 0.000 1.242 94 G CA -0.720 44.454 45.100 0.123 0.000 0.859 94 G HN 0.838 9.128 8.290 -0.000 0.000 0.481 95 Q N -1.131 118.761 119.800 0.153 0.000 2.345 95 Q HA 0.600 4.934 4.340 -0.011 0.000 0.275 95 Q C -1.790 174.320 176.000 0.183 0.000 1.063 95 Q CA -1.052 54.850 55.803 0.165 0.000 0.819 95 Q CB 2.656 31.469 28.738 0.125 0.000 1.356 95 Q HN 0.741 9.011 8.270 -0.000 0.000 0.418 96 Y N 1.847 122.183 120.300 0.060 0.000 2.319 96 Y HA 0.505 5.048 4.550 -0.011 0.000 0.328 96 Y C -1.298 174.647 175.900 0.075 0.000 1.133 96 Y CA -0.410 57.704 58.100 0.023 0.000 1.265 96 Y CB 1.220 39.670 38.460 -0.017 0.000 1.218 96 Y HN 0.493 8.773 8.280 -0.000 0.000 0.508 97 V N 7.420 127.044 119.914 -0.483 0.000 2.407 97 V HA 0.521 4.634 4.120 -0.011 0.000 0.291 97 V C 0.603 176.282 176.094 -0.692 0.000 1.018 97 V CA -0.315 61.731 62.300 -0.423 0.000 0.842 97 V CB 0.798 32.538 31.823 -0.140 0.000 0.996 97 V HN 1.087 9.277 8.190 -0.000 0.000 0.426 98 G N 2.546 110.984 108.800 -0.603 0.000 2.510 98 G HA2 0.771 4.724 3.960 -0.011 0.000 0.280 98 G HA3 0.771 4.724 3.960 -0.011 0.000 0.280 98 G C 0.293 175.146 174.900 -0.078 0.000 1.386 98 G CA 0.143 45.055 45.100 -0.313 0.000 1.047 98 G HN 1.581 9.871 8.290 -0.000 0.000 0.527 99 G N -2.581 106.230 108.800 0.018 0.000 2.409 99 G HA2 0.382 4.335 3.960 -0.011 0.000 0.421 99 G HA3 0.382 4.335 3.960 -0.011 0.000 0.421 99 G C 1.055 175.974 174.900 0.032 0.000 1.259 99 G CA 0.614 45.729 45.100 0.025 0.000 1.011 99 G HN 1.701 9.991 8.290 -0.000 0.000 0.497 100 A N -0.773 122.063 122.820 0.026 0.000 1.958 100 A HA 0.057 4.370 4.320 -0.011 0.000 0.221 100 A C 1.482 179.084 177.584 0.029 0.000 1.178 100 A CA 2.611 54.662 52.037 0.024 0.000 0.642 100 A CB -0.204 18.808 19.000 0.021 0.000 0.816 100 A HN 0.797 8.947 8.150 -0.000 0.000 0.453 101 E N -0.132 120.089 120.200 0.036 0.000 3.351 101 E HA 0.492 4.836 4.350 -0.011 0.000 0.220 101 E C -0.272 176.371 176.600 0.071 0.000 1.150 101 E CA -0.217 56.214 56.400 0.052 0.000 1.359 101 E CB 0.189 29.917 29.700 0.047 0.000 1.365 101 E HN 0.522 8.882 8.360 -0.000 0.000 0.434 102 A N 2.349 125.222 122.820 0.088 0.000 2.466 102 A HA 0.345 4.659 4.320 -0.011 0.000 0.238 102 A C 0.401 178.165 177.584 0.299 0.000 1.074 102 A CA 0.145 52.259 52.037 0.128 0.000 0.774 102 A CB 0.316 19.455 19.000 0.231 0.000 1.015 102 A HN 0.638 8.789 8.150 -0.000 0.000 0.498 103 R N -0.071 120.582 120.500 0.254 0.000 2.728 103 R HA 0.682 5.015 4.340 -0.011 0.000 0.274 103 R C -1.911 174.453 176.300 0.107 0.000 1.030 103 R CA -0.897 55.416 56.100 0.356 0.000 0.876 103 R CB 1.036 31.475 30.300 0.232 0.000 1.259 103 R HN 0.431 8.701 8.270 -0.000 0.000 0.468 104 I N 2.049 122.692 120.570 0.120 0.000 2.420 104 I HA 0.283 4.447 4.170 -0.011 0.000 0.282 104 I C -0.869 175.422 176.117 0.290 0.000 1.019 104 I CA -1.117 60.243 61.300 0.100 0.000 1.130 104 I CB 1.791 39.731 38.000 -0.099 0.000 1.262 104 I HN 0.454 8.664 8.210 -0.000 0.000 0.454 105 N N 5.505 124.336 118.700 0.218 0.000 2.415 105 N HA 0.257 4.990 4.740 -0.011 0.000 0.246 105 N C -0.074 175.575 175.510 0.232 0.000 1.078 105 N CA -0.027 53.149 53.050 0.211 0.000 0.942 105 N CB 1.457 40.024 38.487 0.134 0.000 1.140 105 N HN 0.657 9.037 8.380 -0.000 0.000 0.501 106 T N -0.704 114.033 114.554 0.305 0.000 2.916 106 T HA 0.517 4.860 4.350 -0.011 0.000 0.292 106 T C -0.456 174.395 174.700 0.251 0.000 1.064 106 T CA -0.871 61.407 62.100 0.296 0.000 1.011 106 T CB 2.207 71.350 68.868 0.458 0.000 1.152 106 T HN 0.268 8.508 8.240 -0.000 0.000 0.510 107 Q N 0.781 120.667 119.800 0.144 0.000 2.387 107 Q HA 0.576 4.909 4.340 -0.011 0.000 0.273 107 Q C -1.225 174.754 176.000 -0.034 0.000 1.089 107 Q CA -1.006 54.800 55.803 0.005 0.000 0.824 107 Q CB 2.670 31.370 28.738 -0.063 0.000 1.367 107 Q HN 0.868 9.138 8.270 -0.000 0.000 0.443 108 W N 1.397 122.571 121.300 -0.210 0.000 3.107 108 W HA 0.677 5.332 4.660 -0.007 0.000 0.331 108 W C -2.170 174.129 176.519 -0.367 0.000 1.204 108 W CA -0.993 56.066 57.345 -0.476 0.000 1.184 108 W CB 0.725 29.605 29.460 -0.967 0.000 1.421 108 W HN 0.431 8.611 8.180 -0.000 0.000 0.544 109 L N 4.183 125.400 121.223 -0.009 0.000 2.343 109 L HA 0.382 4.715 4.340 -0.011 0.000 0.278 109 L C -0.775 176.110 176.870 0.025 0.000 0.996 109 L CA -0.945 53.898 54.840 0.004 0.000 0.831 109 L CB 1.645 43.661 42.059 -0.071 0.000 1.232 109 L HN 0.297 8.527 8.230 -0.000 0.000 0.413 110 L N 3.504 124.810 121.223 0.138 0.000 2.294 110 L HA 0.530 4.863 4.340 -0.011 0.000 0.283 110 L C -0.299 176.580 176.870 0.015 0.000 1.015 110 L CA 0.333 55.189 54.840 0.027 0.000 0.831 110 L CB 1.547 43.601 42.059 -0.008 0.000 1.217 110 L HN 0.422 8.652 8.230 -0.000 0.000 0.420 111 T N 3.400 117.954 114.554 -0.001 0.000 2.767 111 T HA 0.477 4.821 4.350 -0.011 0.000 0.284 111 T C -0.021 174.686 174.700 0.011 0.000 0.973 111 T CA -0.334 61.762 62.100 -0.006 0.000 0.996 111 T CB 0.886 69.747 68.868 -0.012 0.000 0.927 111 T HN 0.670 8.910 8.240 -0.000 0.000 0.456 112 S N 2.014 117.709 115.700 -0.008 0.000 2.554 112 S HA 0.565 5.028 4.470 -0.011 0.000 0.278 112 S C 0.908 175.510 174.600 0.003 0.000 1.242 112 S CA -0.920 57.284 58.200 0.007 0.000 1.051 112 S CB 1.203 64.390 63.200 -0.021 0.000 0.986 112 S HN 0.884 9.194 8.310 -0.000 0.000 0.502 113 G N 2.046 110.865 108.800 0.032 0.000 2.365 113 G HA2 0.449 4.402 3.960 -0.011 0.000 0.249 113 G HA3 0.449 4.402 3.960 -0.011 0.000 0.249 113 G C 0.044 174.931 174.900 -0.021 0.000 1.288 113 G CA -0.243 44.859 45.100 0.004 0.000 0.887 113 G HN 0.735 9.025 8.290 -0.000 0.000 0.524 114 T N -1.219 113.314 114.554 -0.036 0.000 2.883 114 T HA 0.660 5.003 4.350 -0.011 0.000 0.301 114 T C 0.390 175.068 174.700 -0.037 0.000 1.158 114 T CA -0.199 61.872 62.100 -0.049 0.000 1.007 114 T CB 1.316 70.137 68.868 -0.079 0.000 1.186 114 T HN 0.910 9.150 8.240 -0.000 0.000 0.499 115 T N -0.104 114.431 114.554 -0.032 0.000 2.855 115 T HA 0.162 4.505 4.350 -0.011 0.000 0.322 115 T C 1.178 175.877 174.700 -0.002 0.000 1.088 115 T CA 0.053 62.144 62.100 -0.015 0.000 1.104 115 T CB 0.129 68.994 68.868 -0.006 0.000 0.996 115 T HN 0.760 9.000 8.240 -0.000 0.000 0.549 116 E N 1.458 121.665 120.200 0.011 0.000 2.086 116 E HA -0.165 4.178 4.350 -0.011 0.000 0.200 116 E C 2.402 179.035 176.600 0.056 0.000 1.012 116 E CA 1.668 58.084 56.400 0.027 0.000 0.812 116 E CB -0.560 29.155 29.700 0.026 0.000 0.743 116 E HN 0.841 9.201 8.360 -0.000 0.000 0.453 117 A N 0.650 123.508 122.820 0.063 0.000 2.119 117 A HA -0.088 4.225 4.320 -0.011 0.000 0.217 117 A C 1.401 179.087 177.584 0.170 0.000 1.153 117 A CA 0.982 53.089 52.037 0.116 0.000 0.692 117 A CB -0.051 19.007 19.000 0.095 0.000 0.799 117 A HN 0.113 8.263 8.150 -0.000 0.000 0.458 118 N N -0.401 118.331 118.700 0.053 0.000 2.236 118 N HA 0.191 4.924 4.740 -0.011 0.000 0.196 118 N C 1.491 176.872 175.510 -0.216 0.000 1.114 118 N CA 0.778 53.773 53.050 -0.091 0.000 0.859 118 N CB 0.011 38.431 38.487 -0.111 0.000 0.982 118 N HN 0.388 8.768 8.380 -0.000 0.000 0.493 119 A N 1.490 124.280 122.820 -0.050 0.000 2.024 119 A HA -0.150 4.163 4.320 -0.011 0.000 0.220 119 A C 1.896 179.452 177.584 -0.047 0.000 1.164 119 A CA 1.068 53.078 52.037 -0.045 0.000 0.643 119 A CB -1.007 18.008 19.000 0.025 0.000 0.806 119 A HN 0.649 8.799 8.150 -0.000 0.000 0.451 120 W N 1.100 122.396 121.300 -0.006 0.000 2.392 120 W HA -0.121 4.534 4.660 -0.009 0.000 0.279 120 W C 0.810 177.323 176.519 -0.009 0.000 1.225 120 W CA 1.213 58.553 57.345 -0.009 0.000 1.233 120 W CB -0.493 28.962 29.460 -0.009 0.000 1.122 120 W HN 0.502 8.682 8.180 -0.000 0.000 0.561 121 K N 1.410 121.257 120.400 -0.921 0.000 2.699 121 K HA 0.253 4.566 4.320 -0.011 0.000 0.210 121 K C 1.325 177.661 176.600 -0.440 0.000 1.076 121 K CA 0.572 56.333 56.287 -0.877 0.000 1.109 121 K CB 0.046 31.621 32.500 -1.542 0.000 0.862 121 K HN -0.022 8.228 8.250 -0.000 0.000 0.470 122 S N -0.216 115.325 115.700 -0.266 0.000 2.461 122 S HA -0.024 4.439 4.470 -0.011 0.000 0.228 122 S C 0.536 175.074 174.600 -0.104 0.000 1.005 122 S CA 0.207 58.311 58.200 -0.159 0.000 0.942 122 S CB -0.165 62.975 63.200 -0.100 0.000 0.776 122 S HN 0.224 8.534 8.310 -0.000 0.000 0.514 123 T N 2.531 117.031 114.554 -0.092 0.000 2.840 123 T HA 0.565 4.909 4.350 -0.011 0.000 0.287 123 T C -0.637 174.038 174.700 -0.042 0.000 0.991 123 T CA -0.608 61.462 62.100 -0.050 0.000 0.964 123 T CB 1.448 70.293 68.868 -0.039 0.000 0.954 123 T HN 0.190 8.430 8.240 -0.000 0.000 0.438 124 L N 2.968 124.189 121.223 -0.002 0.000 2.350 124 L HA 0.707 5.040 4.340 -0.011 0.000 0.275 124 L C 0.090 176.931 176.870 -0.048 0.000 1.099 124 L CA -0.827 54.026 54.840 0.021 0.000 0.808 124 L CB 1.242 43.388 42.059 0.144 0.000 1.149 124 L HN 0.335 8.565 8.230 -0.000 0.000 0.442 125 V N 2.213 121.971 119.914 -0.260 0.000 2.680 125 V HA 0.980 5.093 4.120 -0.011 0.000 0.309 125 V C -0.065 175.382 176.094 -1.077 0.000 1.052 125 V CA 0.135 62.105 62.300 -0.551 0.000 0.908 125 V CB 1.702 33.329 31.823 -0.328 0.000 1.001 125 V HN 0.855 9.045 8.190 -0.000 0.000 0.431 126 G N 4.073 111.756 108.800 -1.861 0.000 2.682 126 G HA2 0.733 4.686 3.960 -0.011 0.000 0.303 126 G HA3 0.733 4.686 3.960 -0.011 0.000 0.303 126 G C -1.606 172.497 174.900 -1.330 0.000 1.341 126 G CA -0.199 43.812 45.100 -1.814 0.000 0.784 126 G HN 1.421 9.711 8.290 -0.000 0.000 0.497 127 H N -2.475 116.259 119.070 -0.560 0.000 2.985 127 H HA 0.887 5.435 4.556 -0.013 0.000 0.360 127 H C -0.578 174.882 175.328 0.220 0.000 1.221 127 H CA -0.860 55.100 56.048 -0.147 0.000 1.121 127 H CB 1.960 31.657 29.762 -0.108 0.000 1.854 127 H HN 1.243 9.523 8.280 -0.000 0.000 0.551 128 A N 1.039 124.093 122.820 0.390 0.000 2.512 128 A HA 0.533 4.846 4.320 -0.011 0.000 0.294 128 A C -1.179 176.538 177.584 0.222 0.000 1.054 128 A CA -0.727 51.480 52.037 0.283 0.000 0.756 128 A CB 1.208 20.432 19.000 0.374 0.000 1.293 128 A HN 0.738 8.888 8.150 -0.000 0.000 0.395 129 T N 2.651 117.270 114.554 0.108 0.000 2.749 129 T HA 0.588 4.931 4.350 -0.011 0.000 0.287 129 T C -0.693 174.044 174.700 0.062 0.000 0.970 129 T CA 0.276 62.469 62.100 0.155 0.000 0.980 129 T CB -0.118 68.843 68.868 0.155 0.000 0.924 129 T HN 0.326 8.566 8.240 -0.000 0.000 0.456 130 F N 1.866 121.990 119.950 0.290 0.000 2.404 130 F HA 0.523 5.043 4.527 -0.011 0.000 0.339 130 F C 1.149 177.257 175.800 0.514 0.000 1.105 130 F CA -0.502 57.727 58.000 0.381 0.000 1.087 130 F CB 1.629 40.848 39.000 0.365 0.000 1.143 130 F HN 0.382 8.682 8.300 -0.000 0.000 0.491 131 T N 2.215 117.191 114.554 0.703 0.000 2.916 131 T HA 0.253 4.596 4.350 -0.011 0.000 0.292 131 T C 0.786 175.742 174.700 0.427 0.000 1.055 131 T CA -0.878 61.556 62.100 0.557 0.000 1.009 131 T CB 2.080 71.146 68.868 0.331 0.000 1.118 131 T HN 0.522 8.762 8.240 -0.000 0.000 0.497 132 K N 0.343 120.807 120.400 0.105 0.000 2.296 132 K HA 0.168 4.481 4.320 -0.011 0.000 0.200 132 K C 0.723 177.395 176.600 0.120 0.000 1.048 132 K CA 0.400 56.575 56.287 -0.187 0.000 0.966 132 K CB 0.320 32.622 32.500 -0.330 0.000 0.754 132 K HN 0.331 8.581 8.250 -0.000 0.000 0.466 133 V N 1.350 121.373 119.914 0.181 0.000 2.628 133 V HA 0.251 4.365 4.120 -0.011 0.000 0.306 133 V C -0.843 175.288 176.094 0.062 0.000 1.045 133 V CA -1.039 61.326 62.300 0.109 0.000 0.905 133 V CB 1.641 33.481 31.823 0.028 0.000 0.997 133 V HN 0.060 8.250 8.190 -0.000 0.000 0.436 134 K N 0.000 120.246 120.400 -0.257 0.000 2.780 134 K HA 0.000 4.313 4.320 -0.011 0.000 0.191 134 K CA 0.000 56.142 56.287 -0.242 0.000 0.838 134 K CB 0.000 32.239 32.500 -0.436 0.000 1.064 134 K HN 0.000 8.250 8.250 -0.000 0.000 0.543