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 2rtf_1_B DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK VKP 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 13 A HA 0.000 4.399 4.320 0.132 0.000 0.244 13 A C 0.000 177.472 177.584 -0.187 0.000 1.274 13 A CA 0.000 52.047 52.037 0.017 0.000 0.836 13 A CB 0.000 19.041 19.000 0.068 0.000 0.831 14 E N 2.895 123.040 120.200 -0.091 0.000 2.038 14 E HA -0.428 3.602 4.350 -0.534 0.000 0.195 14 E C 1.400 177.875 176.600 -0.208 0.000 1.000 14 E CA 3.778 60.042 56.400 -0.227 0.000 0.803 14 E CB -0.711 28.980 29.700 -0.015 0.000 0.750 14 E HN 0.746 9.144 8.360 0.063 0.000 0.448 15 A N -0.683 122.073 122.820 -0.106 0.000 1.908 15 A HA -0.307 3.959 4.320 -0.091 0.000 0.218 15 A C 2.403 179.931 177.584 -0.094 0.000 1.181 15 A CA 2.769 54.755 52.037 -0.084 0.000 0.627 15 A CB -1.168 17.810 19.000 -0.037 0.000 0.818 15 A HN 0.311 8.426 8.150 -0.058 0.000 0.445 16 G N -2.268 106.478 108.800 -0.090 0.000 2.408 16 G HA2 -0.198 3.798 3.960 0.060 0.000 0.217 16 G HA3 -0.198 3.817 3.960 0.093 0.000 0.217 16 G C 1.725 176.539 174.900 -0.144 0.000 1.150 16 G CA 1.471 46.560 45.100 -0.019 0.000 0.776 16 G HN 0.137 8.369 8.290 -0.084 0.008 0.542 17 I N 1.721 122.032 120.570 -0.431 0.000 2.333 17 I HA -0.272 3.792 4.170 -0.178 0.000 0.246 17 I C -0.046 176.019 176.117 -0.088 0.000 1.106 17 I CA 2.571 63.649 61.300 -0.370 0.000 1.411 17 I CB 0.300 37.878 38.000 -0.702 0.000 1.082 17 I HN -0.233 7.587 8.210 -0.470 0.107 0.420 18 T N 2.204 116.646 114.554 -0.187 0.000 2.905 18 T HA -0.389 4.033 4.350 -0.199 -0.191 0.299 18 T C -0.081 174.534 174.700 -0.142 0.000 1.024 18 T CA 3.486 65.488 62.100 -0.163 0.000 1.151 18 T CB -0.173 68.601 68.868 -0.156 0.000 0.987 18 T HN -0.190 7.904 8.240 -0.242 0.000 0.535 19 G N 5.208 113.897 108.800 -0.186 0.000 2.350 19 G HA2 -0.080 3.731 3.960 -0.248 0.000 0.282 19 G HA3 -0.080 3.642 3.960 -0.397 0.000 0.282 19 G C -2.996 171.692 174.900 -0.353 0.000 1.314 19 G CA 0.256 45.180 45.100 -0.294 0.000 0.915 19 G HN 0.093 8.262 8.290 -0.202 0.000 0.499 20 T N 2.228 116.508 114.554 -0.456 0.000 2.823 20 T HA 0.852 5.143 4.350 -0.382 -0.170 0.279 20 T C -1.076 173.270 174.700 -0.590 0.000 0.998 20 T CA 0.375 62.218 62.100 -0.428 0.000 0.994 20 T CB 2.066 70.755 68.868 -0.298 0.000 0.960 20 T HN 0.265 8.223 8.240 -0.470 0.000 0.448 21 W N 3.843 124.823 121.300 -0.532 0.000 2.950 21 W HA 0.533 5.301 4.660 -0.102 -0.170 0.340 21 W C -1.852 174.457 176.519 -0.350 0.000 1.139 21 W CA -1.153 56.032 57.345 -0.267 0.000 1.188 21 W CB 4.042 33.411 29.460 -0.152 0.000 1.426 21 W HN 0.915 8.876 8.180 -0.366 0.000 0.531 22 Y N -2.473 118.097 120.300 0.450 0.000 2.576 22 Y HA 0.908 5.854 4.550 0.309 -0.211 0.346 22 Y C -1.123 174.956 175.900 0.299 0.000 1.018 22 Y CA -1.798 56.489 58.100 0.312 0.000 1.050 22 Y CB 4.312 42.859 38.460 0.144 0.000 1.280 22 Y HN 0.638 9.240 8.280 0.536 0.000 0.474 23 N N -0.416 118.437 118.700 0.256 0.000 2.545 23 N HA 0.696 5.560 4.740 -0.077 -0.171 0.289 23 N C 1.829 177.361 175.510 0.036 0.000 1.279 23 N CA -2.765 50.233 53.050 -0.087 0.000 0.824 23 N CB 2.307 40.437 38.487 -0.595 0.000 1.395 23 N HN -0.118 8.449 8.380 0.311 0.000 0.526 24 Q N -0.557 119.245 119.800 0.002 0.000 2.376 24 Q HA -0.217 4.156 4.340 0.056 0.000 0.211 24 Q C 0.212 176.243 176.000 0.053 0.000 0.986 24 Q CA 2.462 58.292 55.803 0.044 0.000 0.886 24 Q CB -0.806 27.963 28.738 0.051 0.000 0.927 24 Q HN 0.318 8.555 8.270 -0.055 0.000 0.457 25 L N -2.920 118.339 121.223 0.060 0.000 2.477 25 L HA 0.140 4.514 4.340 0.057 0.000 0.220 25 L C 0.753 177.670 176.870 0.079 0.000 1.106 25 L CA 0.095 54.977 54.840 0.070 0.000 0.851 25 L CB 0.714 42.823 42.059 0.084 0.000 0.994 25 L HN -0.079 8.426 8.230 0.049 -0.246 0.462 26 G N -2.179 106.684 108.800 0.104 0.000 2.135 26 G HA2 -0.309 3.720 3.960 0.114 0.000 0.183 26 G HA3 -0.309 3.696 3.960 0.074 0.000 0.183 26 G C -0.683 174.329 174.900 0.187 0.000 1.004 26 G CA -0.362 44.808 45.100 0.117 0.000 0.677 26 G HN -0.214 8.124 8.290 0.111 0.018 0.512 27 S N 0.974 116.799 115.700 0.208 0.000 2.610 27 S HA 0.296 4.918 4.470 0.164 -0.054 0.273 27 S C -0.962 173.732 174.600 0.157 0.000 1.274 27 S CA 0.973 59.279 58.200 0.177 0.000 1.023 27 S CB 1.894 65.240 63.200 0.243 0.000 0.962 27 S HN -0.589 8.082 8.310 0.190 -0.247 0.523 28 T N 4.737 119.263 114.554 -0.047 0.000 2.824 28 T HA 0.648 4.913 4.350 -0.406 -0.158 0.280 28 T C -1.530 172.912 174.700 -0.430 0.000 0.995 28 T CA -0.205 61.749 62.100 -0.243 0.000 1.009 28 T CB 1.666 70.476 68.868 -0.098 0.000 0.955 28 T HN 0.635 8.830 8.240 -0.074 0.000 0.452 29 F N 7.924 127.541 119.950 -0.554 0.000 2.539 29 F HA 0.646 4.951 4.527 -0.596 -0.135 0.328 29 F C -3.131 172.460 175.800 -0.348 0.000 1.148 29 F CA -2.815 54.854 58.000 -0.552 0.000 0.940 29 F CB 3.201 41.797 39.000 -0.673 0.000 1.194 29 F HN 0.640 8.728 8.300 -0.354 0.000 0.438 30 I N 8.340 128.740 120.570 -0.283 0.000 2.389 30 I HA 0.611 4.727 4.170 -0.369 -0.168 0.288 30 I C -2.400 173.502 176.117 -0.359 0.000 0.999 30 I CA -1.002 60.106 61.300 -0.320 0.000 1.129 30 I CB 2.384 40.275 38.000 -0.182 0.000 1.288 30 I HN 0.512 8.655 8.210 -0.111 0.000 0.444 31 V N 7.351 126.997 119.914 -0.446 0.000 3.114 31 V HA 0.843 4.975 4.120 -0.253 -0.164 0.308 31 V C -2.303 173.631 176.094 -0.266 0.000 1.168 31 V CA -2.921 59.154 62.300 -0.375 0.000 1.015 31 V CB 4.786 36.238 31.823 -0.618 0.000 1.050 31 V HN 0.760 8.694 8.190 -0.427 0.000 0.433 32 T N 6.413 120.848 114.554 -0.198 0.000 2.848 32 T HA 0.293 4.542 4.350 -0.169 0.000 0.285 32 T C -2.295 172.315 174.700 -0.149 0.000 0.995 32 T CA -0.883 61.125 62.100 -0.154 0.000 0.970 32 T CB 2.345 71.153 68.868 -0.099 0.000 0.976 32 T HN 0.329 8.465 8.240 -0.173 0.000 0.441 33 A N 6.457 129.168 122.820 -0.181 0.000 2.288 33 A HA 0.824 5.263 4.320 -0.125 -0.194 0.320 33 A C -0.886 176.694 177.584 -0.006 0.000 1.217 33 A CA -2.038 49.881 52.037 -0.196 0.000 0.840 33 A CB 1.722 20.381 19.000 -0.568 0.000 1.179 33 A HN 0.107 8.145 8.150 -0.186 0.000 0.504 34 G N 0.927 109.807 108.800 0.133 0.000 2.462 34 G HA2 0.273 4.267 3.960 0.057 0.000 0.319 34 G HA3 0.273 4.374 3.960 0.084 -0.090 0.319 34 G C -0.027 174.973 174.900 0.166 0.000 1.171 34 G CA -1.517 43.648 45.100 0.109 0.000 0.920 34 G HN 0.536 8.830 8.290 0.203 0.119 0.499 35 A N 0.465 123.340 122.820 0.091 0.000 2.024 35 A HA -0.239 4.140 4.320 0.098 0.000 0.220 35 A C 1.184 178.780 177.584 0.020 0.000 1.164 35 A CA 2.430 54.507 52.037 0.067 0.000 0.643 35 A CB -0.249 18.771 19.000 0.034 0.000 0.806 35 A HN 0.577 8.762 8.150 0.059 0.000 0.451 36 D N -6.161 114.246 120.400 0.012 0.000 2.349 36 D HA -0.169 4.445 4.640 -0.044 0.000 0.224 36 D C 0.286 176.522 176.300 -0.108 0.000 1.029 36 D CA -0.450 53.530 54.000 -0.034 0.000 0.879 36 D CB -0.896 39.898 40.800 -0.010 0.000 0.906 36 D HN -0.163 8.179 8.370 0.038 0.051 0.528 37 G N -2.458 106.229 108.800 -0.189 0.000 2.157 37 G HA2 -0.460 2.554 3.960 -1.577 0.000 0.239 37 G HA3 -0.460 3.222 3.960 -0.463 0.000 0.239 37 G C -1.421 173.420 174.900 -0.099 0.000 0.982 37 G CA 0.027 44.785 45.100 -0.569 0.000 0.650 37 G HN -0.094 8.098 8.290 -0.057 0.064 0.527 38 A N 0.024 122.926 122.820 0.135 0.000 2.279 38 A HA 0.575 5.096 4.320 0.136 -0.119 0.303 38 A C -1.712 176.011 177.584 0.231 0.000 1.108 38 A CA -1.365 50.773 52.037 0.168 0.000 0.830 38 A CB 2.479 21.532 19.000 0.088 0.000 1.106 38 A HN -0.665 7.688 8.150 0.118 -0.132 0.493 39 L N -0.838 120.473 121.223 0.146 0.000 2.436 39 L HA 1.003 5.586 4.340 0.005 -0.240 0.268 39 L C -0.587 176.301 176.870 0.030 0.000 0.974 39 L CA -1.258 53.617 54.840 0.059 0.000 0.826 39 L CB 3.816 45.912 42.059 0.061 0.000 1.291 39 L HN 0.030 8.337 8.230 0.129 0.000 0.406 40 T N 1.561 116.104 114.554 -0.018 0.000 2.900 40 T HA 0.800 5.317 4.350 0.007 -0.164 0.303 40 T C -1.411 173.259 174.700 -0.051 0.000 1.142 40 T CA -2.174 59.917 62.100 -0.014 0.000 1.007 40 T CB 2.528 71.394 68.868 -0.004 0.000 1.156 40 T HN 0.216 8.424 8.240 -0.052 0.000 0.490 41 G N 2.677 111.457 108.800 -0.034 0.000 2.356 41 G HA2 0.383 4.308 3.960 -0.059 0.000 0.281 41 G HA3 0.383 4.486 3.960 -0.081 -0.192 0.281 41 G C -2.758 172.141 174.900 -0.001 0.000 1.246 41 G CA 0.878 45.950 45.100 -0.048 0.000 0.889 41 G HN -0.154 8.130 8.290 -0.010 0.000 0.486 42 T N -2.175 112.386 114.554 0.012 0.000 2.906 42 T HA 0.993 5.593 4.350 0.096 -0.193 0.295 42 T C -2.450 172.330 174.700 0.134 0.000 1.075 42 T CA -2.101 60.044 62.100 0.074 0.000 1.005 42 T CB 3.754 72.650 68.868 0.046 0.000 1.136 42 T HN 0.018 8.244 8.240 -0.024 0.000 0.498 43 Y N 1.116 121.468 120.300 0.087 0.000 2.477 43 Y HA 0.646 5.429 4.550 0.099 -0.173 0.347 43 Y C -2.759 173.303 175.900 0.270 0.000 0.981 43 Y CA -1.723 56.449 58.100 0.120 0.000 1.033 43 Y CB 4.608 43.080 38.460 0.021 0.000 1.245 43 Y HN 0.676 9.139 8.280 0.303 0.000 0.455 44 E N 6.876 127.155 120.200 0.132 0.000 2.241 44 E HA 0.486 5.149 4.350 0.521 0.000 0.263 44 E C -2.399 174.378 176.600 0.295 0.000 0.882 44 E CA -1.442 55.140 56.400 0.304 0.000 0.769 44 E CB 4.107 33.899 29.700 0.153 0.000 1.185 44 E HN 0.585 8.708 8.360 -0.395 0.000 0.415 45 S N 7.328 123.307 115.700 0.465 0.000 2.525 45 S HA 0.252 4.966 4.470 0.407 0.000 0.290 45 S C -0.205 174.503 174.600 0.180 0.000 1.152 45 S CA -1.568 56.846 58.200 0.358 0.000 1.072 45 S CB 1.620 64.940 63.200 0.200 0.000 1.027 45 S HN 0.700 9.329 8.310 0.533 0.000 0.500 46 A N 6.361 129.264 122.820 0.139 0.000 2.132 46 A HA 0.094 4.465 4.320 0.086 0.000 0.213 46 A C -0.197 177.407 177.584 0.034 0.000 1.154 46 A CA 1.025 53.113 52.037 0.084 0.000 0.753 46 A CB 0.678 19.730 19.000 0.086 0.000 0.826 46 A HN 0.633 8.886 8.150 0.172 0.000 0.469 47 V N -5.798 114.114 119.914 -0.002 0.000 3.126 47 V HA 0.584 4.680 4.120 -0.039 0.000 0.314 47 V C -0.354 175.648 176.094 -0.153 0.000 1.138 47 V CA -1.750 60.515 62.300 -0.059 0.000 1.034 47 V CB 2.057 33.849 31.823 -0.051 0.000 1.075 47 V HN -0.318 7.842 8.190 0.011 0.037 0.442 48 G N 0.989 109.696 108.800 -0.155 0.000 2.660 48 G HA2 -0.300 3.541 3.960 -0.197 0.000 0.247 48 G HA3 -0.300 3.438 3.960 -0.369 0.000 0.247 48 G C -1.311 173.477 174.900 -0.187 0.000 1.328 48 G CA -0.453 44.507 45.100 -0.233 0.000 0.884 48 G HN 0.362 8.588 8.290 -0.105 0.000 0.531 49 N N 2.389 120.955 118.700 -0.223 0.000 3.034 49 N HA 0.044 4.744 4.740 -0.067 0.000 0.265 49 N C -1.853 173.584 175.510 -0.122 0.000 1.166 49 N CA -0.867 52.108 53.050 -0.125 0.000 1.081 49 N CB -1.452 36.970 38.487 -0.108 0.000 1.378 49 N HN 0.127 8.329 8.380 -0.298 0.000 0.520 50 A N 0.804 123.593 122.820 -0.052 0.000 2.572 50 A HA 0.422 4.920 4.320 0.297 0.000 0.295 50 A C -2.273 175.459 177.584 0.246 0.000 1.072 50 A CA -0.678 51.433 52.037 0.123 0.000 0.691 50 A CB 2.861 21.784 19.000 -0.129 0.000 1.291 50 A HN -0.528 7.553 8.150 -0.046 0.042 0.404 51 E N 2.420 122.881 120.200 0.435 0.000 2.354 51 E HA 0.209 4.670 4.350 0.184 0.000 0.283 51 E C -1.389 175.320 176.600 0.182 0.000 0.938 51 E CA -0.235 56.302 56.400 0.229 0.000 0.777 51 E CB 2.926 32.693 29.700 0.112 0.000 1.222 51 E HN 0.246 9.067 8.360 0.768 0.000 0.423 52 S N 1.043 116.800 115.700 0.095 0.000 3.683 52 S HA -0.423 4.044 4.470 -0.005 0.000 0.636 52 S C -1.351 173.309 174.600 0.100 0.000 2.235 52 S CA 1.478 59.681 58.200 0.005 0.000 2.445 52 S CB 0.400 63.511 63.200 -0.148 0.000 0.330 52 S HN 0.353 8.721 8.310 0.097 0.000 1.763 53 R N -0.660 119.846 120.500 0.011 0.000 2.573 53 R HA 0.352 5.030 4.340 0.296 -0.161 0.272 53 R C -0.742 175.488 176.300 -0.118 0.000 1.009 53 R CA -0.422 55.733 56.100 0.092 0.000 1.059 53 R CB 1.375 31.716 30.300 0.069 0.000 1.112 53 R HN -0.180 8.076 8.270 -0.024 0.000 0.517 54 Y N -2.212 118.177 120.300 0.148 0.000 2.512 54 Y HA 0.202 4.794 4.550 0.071 0.000 0.348 54 Y C -0.660 175.255 175.900 0.025 0.000 0.990 54 Y CA -1.161 56.980 58.100 0.069 0.000 1.033 54 Y CB 3.075 41.530 38.460 -0.009 0.000 1.259 54 Y HN 0.183 8.719 8.280 0.427 0.000 0.461 55 V N 1.762 121.752 119.914 0.127 0.000 2.686 55 V HA 0.070 4.372 4.120 0.062 -0.145 0.295 55 V C -0.418 175.705 176.094 0.048 0.000 1.055 55 V CA 1.268 63.607 62.300 0.066 0.000 1.050 55 V CB 0.230 32.075 31.823 0.037 0.000 0.984 55 V HN 0.707 8.970 8.190 0.122 0.000 0.482 56 L N 0.637 121.887 121.223 0.046 0.000 2.371 56 L HA 1.077 5.629 4.340 0.058 -0.178 0.262 56 L C -1.473 175.431 176.870 0.056 0.000 1.006 56 L CA -1.624 53.251 54.840 0.058 0.000 0.818 56 L CB 4.344 46.432 42.059 0.048 0.000 1.354 56 L HN 0.379 8.632 8.230 0.039 0.000 0.415 57 T N 0.744 115.355 114.554 0.096 0.000 2.916 57 T HA 0.754 5.326 4.350 0.069 -0.181 0.305 57 T C -1.426 173.368 174.700 0.157 0.000 1.119 57 T CA -1.645 60.510 62.100 0.091 0.000 1.008 57 T CB 2.360 71.264 68.868 0.060 0.000 1.129 57 T HN -0.177 8.143 8.240 0.133 0.000 0.480 58 G N 2.214 111.106 108.800 0.155 0.000 2.561 58 G HA2 0.638 4.706 3.960 0.180 0.000 0.310 58 G HA3 0.638 4.914 3.960 0.301 -0.135 0.310 58 G C -2.971 172.033 174.900 0.174 0.000 1.292 58 G CA 0.668 45.891 45.100 0.206 0.000 0.811 58 G HN 0.323 8.684 8.290 0.118 0.000 0.482 59 R N -3.809 116.809 120.500 0.198 0.000 2.764 59 R HA 1.147 5.796 4.340 0.203 -0.186 0.270 59 R C -1.801 174.655 176.300 0.259 0.000 1.014 59 R CA -2.199 54.010 56.100 0.180 0.000 0.904 59 R CB 4.973 35.319 30.300 0.077 0.000 1.236 59 R HN -0.181 8.220 8.270 0.220 0.000 0.466 60 Y N -3.639 116.689 120.300 0.048 0.000 2.689 60 Y HA 0.567 5.273 4.550 0.070 -0.114 0.333 60 Y C -1.952 173.971 175.900 0.038 0.000 1.190 60 Y CA -2.642 55.488 58.100 0.050 0.000 1.063 60 Y CB 2.219 40.694 38.460 0.026 0.000 1.294 60 Y HN 0.637 8.803 8.280 -0.027 0.099 0.466 61 D N 0.694 121.104 120.400 0.017 0.000 2.422 61 D HA 0.201 4.749 4.640 -0.154 0.000 0.227 61 D C 0.223 176.444 176.300 -0.132 0.000 1.190 61 D CA -1.403 52.549 54.000 -0.080 0.000 0.905 61 D CB -0.041 40.787 40.800 0.046 0.000 1.034 61 D HN 0.042 8.549 8.370 0.228 0.000 0.507 62 S N 3.856 119.288 115.700 -0.447 0.000 2.387 62 S HA -0.410 3.992 4.470 -0.112 0.000 0.230 62 S C 0.225 174.825 174.600 0.000 0.000 1.035 62 S CA 2.380 60.419 58.200 -0.268 0.000 1.014 62 S CB 0.106 63.118 63.200 -0.314 0.000 0.836 62 S HN -0.245 7.736 8.310 -0.548 0.000 0.466 63 A N 2.763 125.569 122.820 -0.022 0.000 2.801 63 A HA 0.464 4.811 4.320 0.045 0.000 0.344 63 A C -2.374 175.234 177.584 0.041 0.000 1.322 63 A CA -3.243 48.807 52.037 0.022 0.000 0.913 63 A CB -0.043 18.959 19.000 0.002 0.000 1.140 63 A HN -0.247 7.950 8.150 -0.075 -0.092 0.487 64 P HA 0.037 4.702 4.420 0.083 -0.195 0.302 64 P C -1.178 176.161 177.300 0.065 0.000 1.301 64 P CA -0.317 62.836 63.100 0.088 0.000 0.770 64 P CB 1.263 33.042 31.700 0.132 0.000 1.458 65 A N -3.676 119.183 122.820 0.065 0.000 2.337 65 A HA 0.415 4.760 4.320 0.042 0.000 0.331 65 A C 0.672 178.287 177.584 0.051 0.000 1.137 65 A CA -1.908 50.158 52.037 0.049 0.000 0.807 65 A CB 2.698 21.724 19.000 0.043 0.000 1.250 65 A HN -0.235 7.960 8.150 0.075 0.000 0.468 66 T N 1.235 115.814 114.554 0.042 0.000 3.781 66 T HA -0.018 4.361 4.350 0.048 0.000 0.286 66 T C -1.509 173.213 174.700 0.036 0.000 1.277 66 T CA -0.336 61.788 62.100 0.041 0.000 1.136 66 T CB -1.527 67.362 68.868 0.034 0.000 1.202 66 T HN 0.373 8.654 8.240 0.036 -0.020 0.884 67 D N 1.350 121.774 120.400 0.040 0.000 2.838 67 D HA 0.006 4.663 4.640 0.029 0.000 0.334 67 D C -0.631 175.690 176.300 0.035 0.000 1.315 67 D CA -1.063 52.957 54.000 0.033 0.000 0.917 67 D CB 1.401 42.218 40.800 0.030 0.000 1.435 67 D HN 0.211 8.391 8.370 0.047 0.218 0.517 68 G N -1.724 107.093 108.800 0.028 0.000 3.717 68 G HA2 0.135 4.110 3.960 0.026 0.000 0.258 68 G HA3 0.135 4.107 3.960 0.020 0.000 0.258 68 G C -0.776 174.139 174.900 0.026 0.000 1.088 68 G CA -0.396 44.718 45.100 0.025 0.000 1.737 68 G HN -0.001 8.304 8.290 0.025 0.000 0.648 69 S N 1.197 116.919 115.700 0.036 0.000 2.621 69 S HA 0.161 4.652 4.470 0.035 0.000 0.302 69 S C -0.526 174.106 174.600 0.054 0.000 1.093 69 S CA -0.543 57.682 58.200 0.043 0.000 1.017 69 S CB 2.887 66.115 63.200 0.048 0.000 1.077 69 S HN -0.530 7.784 8.310 0.043 0.022 0.517 70 G N -0.619 108.217 108.800 0.060 0.000 2.528 70 G HA2 0.238 4.313 3.960 0.060 0.000 0.289 70 G HA3 0.238 4.243 3.960 0.076 0.000 0.289 70 G C -0.938 174.041 174.900 0.131 0.000 1.192 70 G CA -0.919 44.230 45.100 0.081 0.000 0.921 70 G HN 0.062 8.385 8.290 0.055 0.000 0.512 71 T N 3.726 118.402 114.554 0.204 0.000 2.749 71 T HA 0.106 4.567 4.350 0.185 0.000 0.287 71 T C -0.929 173.900 174.700 0.215 0.000 0.970 71 T CA 0.429 62.669 62.100 0.235 0.000 0.980 71 T CB 1.097 70.171 68.868 0.342 0.000 0.924 71 T HN 0.273 8.550 8.240 0.239 0.106 0.456 72 A N 7.515 130.436 122.820 0.169 0.000 2.340 72 A HA 0.739 5.330 4.320 0.156 -0.178 0.268 72 A C -1.500 176.198 177.584 0.189 0.000 1.100 72 A CA -1.097 51.032 52.037 0.154 0.000 0.803 72 A CB 1.497 20.561 19.000 0.107 0.000 1.043 72 A HN 0.663 8.899 8.150 0.144 0.000 0.488 73 L N -5.647 115.691 121.223 0.193 0.000 2.892 73 L HA 0.900 5.468 4.340 0.221 -0.096 0.269 73 L C -1.662 175.333 176.870 0.208 0.000 1.058 73 L CA -1.154 53.825 54.840 0.233 0.000 0.923 73 L CB 3.542 45.772 42.059 0.285 0.000 1.518 73 L HN 0.171 8.505 8.230 0.172 0.000 0.402 74 G N -4.091 104.859 108.800 0.249 0.000 2.601 74 G HA2 0.729 4.858 3.960 0.028 0.000 0.291 74 G HA3 0.729 4.695 3.960 0.069 0.035 0.291 74 G C -3.398 171.683 174.900 0.302 0.000 1.456 74 G CA 0.808 45.997 45.100 0.148 0.000 0.804 74 G HN -0.342 8.125 8.290 0.294 0.000 0.499 75 W N -3.656 117.688 121.300 0.073 0.000 3.066 75 W HA 0.707 5.480 4.660 0.033 -0.094 0.330 75 W C -3.098 173.475 176.519 0.090 0.000 1.253 75 W CA -1.509 55.859 57.345 0.038 0.000 1.187 75 W CB 2.046 31.473 29.460 -0.056 0.000 1.434 75 W HN 0.370 8.396 8.180 -0.257 0.000 0.572 76 T N 0.987 115.682 114.554 0.235 0.000 2.893 76 T HA 0.840 5.390 4.350 0.022 -0.186 0.291 76 T C -1.549 173.203 174.700 0.086 0.000 1.028 76 T CA -0.544 61.611 62.100 0.092 0.000 0.995 76 T CB 3.038 71.914 68.868 0.013 0.000 1.051 76 T HN 0.637 9.054 8.240 0.295 0.000 0.470 77 V N 3.703 123.561 119.914 -0.093 0.000 2.623 77 V HA 0.326 4.448 4.120 -0.230 -0.140 0.304 77 V C -2.322 173.407 176.094 -0.608 0.000 1.054 77 V CA -1.178 60.894 62.300 -0.380 0.000 0.882 77 V CB 3.845 35.227 31.823 -0.735 0.000 1.002 77 V HN 0.344 8.449 8.190 -0.141 0.000 0.424 78 A N 5.312 127.871 122.820 -0.434 0.000 2.276 78 A HA 0.552 4.824 4.320 -0.275 -0.116 0.316 78 A C -0.217 177.164 177.584 -0.338 0.000 1.229 78 A CA -1.718 50.149 52.037 -0.284 0.000 0.851 78 A CB 1.661 20.609 19.000 -0.086 0.000 1.165 78 A HN 0.696 8.672 8.150 -0.291 0.000 0.513 79 W N 5.376 126.631 121.300 -0.074 0.000 1.395 79 W HA -0.083 4.333 4.660 -0.406 0.000 0.451 79 W C -1.397 175.188 176.519 0.111 0.000 0.619 79 W CA -1.192 56.051 57.345 -0.171 0.000 2.212 79 W CB -0.808 28.466 29.460 -0.310 0.000 1.537 79 W HN 0.625 8.771 8.180 -0.056 0.000 0.275 80 K N 1.297 121.939 120.400 0.403 0.000 2.482 80 K HA 0.766 5.480 4.320 0.304 -0.212 0.251 80 K C -1.797 174.957 176.600 0.258 0.000 0.936 80 K CA -1.257 55.209 56.287 0.299 0.000 0.791 80 K CB 3.268 35.846 32.500 0.129 0.000 1.213 80 K HN -0.214 8.164 8.250 0.341 0.076 0.428 81 N N 4.674 123.443 118.700 0.116 0.000 3.344 81 N HA 0.222 4.927 4.740 -0.058 0.000 0.296 81 N C -0.731 174.705 175.510 -0.123 0.000 1.571 81 N CA -1.209 51.793 53.050 -0.081 0.000 0.844 81 N CB 0.900 39.179 38.487 -0.347 0.000 1.718 81 N HN 0.836 9.303 8.380 0.145 0.000 0.589 82 N N -1.458 117.076 118.700 -0.278 0.000 2.573 82 N HA -0.044 4.515 4.740 -0.300 0.000 0.187 82 N C -0.051 175.066 175.510 -0.655 0.000 1.107 82 N CA 2.361 55.112 53.050 -0.499 0.000 0.918 82 N CB 0.006 38.058 38.487 -0.725 0.000 0.966 82 N HN 0.150 8.373 8.380 -0.261 0.000 0.448 83 Y N -2.575 117.705 120.300 -0.035 0.000 2.607 83 Y HA 0.109 4.658 4.550 -0.001 0.000 0.276 83 Y C -0.302 175.613 175.900 0.025 0.000 1.117 83 Y CA 1.019 59.114 58.100 -0.007 0.000 1.273 83 Y CB 1.880 40.331 38.460 -0.016 0.000 1.282 83 Y HN -0.458 7.946 8.280 -0.146 -0.211 0.514 84 R N -2.410 118.197 120.500 0.179 0.000 2.808 84 R HA 0.228 4.633 4.340 0.109 0.000 0.272 84 R C -2.504 173.881 176.300 0.141 0.000 0.995 84 R CA -1.083 55.114 56.100 0.161 0.000 0.917 84 R CB 4.570 35.007 30.300 0.229 0.000 1.217 84 R HN 0.176 8.908 8.270 0.161 -0.366 0.471 85 N N 0.878 119.598 118.700 0.033 0.000 2.549 85 N HA 0.311 5.182 4.740 0.009 -0.126 0.281 85 N C -1.378 173.947 175.510 -0.309 0.000 1.084 85 N CA -0.005 52.979 53.050 -0.110 0.000 0.862 85 N CB 1.121 39.493 38.487 -0.192 0.000 1.333 85 N HN 0.381 8.768 8.380 0.011 0.000 0.523 86 A N 2.062 124.784 122.820 -0.163 0.000 2.308 86 A HA 0.123 4.343 4.320 -0.166 0.000 0.217 86 A C 0.225 177.732 177.584 -0.128 0.000 1.216 86 A CA 0.044 51.991 52.037 -0.150 0.000 0.864 86 A CB 0.891 19.864 19.000 -0.045 0.000 0.902 86 A HN 0.809 8.967 8.150 0.013 0.000 0.499 87 H N -2.160 116.966 119.070 0.095 0.000 2.748 87 H HA -0.353 4.243 4.556 0.068 0.000 0.322 87 H C -2.054 173.312 175.328 0.064 0.000 1.208 87 H CA 0.923 57.010 56.048 0.065 0.000 1.151 87 H CB -3.056 26.727 29.762 0.035 0.000 1.505 87 H HN -0.250 8.025 8.280 -0.305 -0.179 0.429 88 S N -4.878 110.924 115.700 0.170 0.000 2.615 88 S HA 0.890 5.540 4.470 0.114 -0.112 0.269 88 S C -2.530 172.199 174.600 0.214 0.000 1.161 88 S CA -0.878 57.421 58.200 0.166 0.000 0.817 88 S CB 4.198 67.474 63.200 0.126 0.000 1.131 88 S HN -0.382 8.030 8.310 0.170 0.000 0.467 89 A N -1.576 121.335 122.820 0.151 0.000 2.572 89 A HA 0.837 5.230 4.320 -0.111 -0.139 0.295 89 A C -2.405 175.174 177.584 -0.008 0.000 1.072 89 A CA -0.361 51.681 52.037 0.008 0.000 0.691 89 A CB 3.945 22.911 19.000 -0.056 0.000 1.291 89 A HN 0.716 8.931 8.150 0.108 0.000 0.404 90 T N 2.458 116.923 114.554 -0.148 0.000 2.876 90 T HA 1.082 5.511 4.350 -0.241 -0.224 0.289 90 T C -0.853 173.581 174.700 -0.444 0.000 1.014 90 T CA -1.127 60.772 62.100 -0.335 0.000 0.986 90 T CB 2.990 71.498 68.868 -0.601 0.000 1.021 90 T HN 0.783 8.851 8.240 -0.286 0.000 0.458 91 T N 1.218 115.498 114.554 -0.456 0.000 2.876 91 T HA 0.788 5.160 4.350 -0.265 -0.181 0.289 91 T C -1.522 172.894 174.700 -0.473 0.000 1.014 91 T CA -1.910 59.986 62.100 -0.340 0.000 0.986 91 T CB 2.829 71.590 68.868 -0.179 0.000 1.021 91 T HN 0.617 8.616 8.240 -0.402 0.000 0.458 92 W N 4.008 124.922 121.300 -0.643 0.000 2.587 92 W HA 0.519 5.161 4.660 -0.292 -0.157 0.324 92 W C -1.349 174.834 176.519 -0.561 0.000 1.040 92 W CA -1.311 55.611 57.345 -0.705 0.000 1.222 92 W CB 3.457 31.961 29.460 -1.594 0.000 1.381 92 W HN 0.739 8.662 8.180 -0.429 0.000 0.483 93 S N 2.014 117.655 115.700 -0.099 0.000 2.532 93 S HA 0.736 5.321 4.470 -0.033 -0.135 0.299 93 S C -1.083 173.541 174.600 0.041 0.000 1.105 93 S CA -1.605 56.576 58.200 -0.033 0.000 1.018 93 S CB 1.651 64.836 63.200 -0.024 0.000 1.021 93 S HN 0.653 8.941 8.310 -0.037 0.000 0.483 94 G N 4.043 112.894 108.800 0.085 0.000 2.435 94 G HA2 0.557 4.583 3.960 0.110 0.000 0.296 94 G HA3 0.557 4.781 3.960 0.172 -0.160 0.296 94 G C -3.352 171.641 174.900 0.155 0.000 1.240 94 G CA 0.840 46.020 45.100 0.133 0.000 0.872 94 G HN 0.340 8.684 8.290 0.090 0.000 0.480 95 Q N -3.049 116.853 119.800 0.170 0.000 2.421 95 Q HA 0.908 5.554 4.340 0.195 -0.189 0.280 95 Q C -2.089 174.034 176.000 0.205 0.000 1.085 95 Q CA -2.024 53.885 55.803 0.177 0.000 0.807 95 Q CB 4.966 33.781 28.738 0.128 0.000 1.405 95 Q HN 0.186 8.560 8.270 0.174 0.000 0.419 96 Y N 3.186 123.542 120.300 0.093 0.000 2.330 96 Y HA 0.535 5.279 4.550 0.063 -0.157 0.336 96 Y C -2.380 173.582 175.900 0.104 0.000 1.036 96 Y CA -1.846 56.299 58.100 0.075 0.000 1.125 96 Y CB 2.647 41.131 38.460 0.039 0.000 1.194 96 Y HN 0.708 9.063 8.280 0.304 0.107 0.469 97 V N 7.864 127.466 119.914 -0.520 0.000 2.443 97 V HA 0.334 4.258 4.120 -0.326 0.000 0.293 97 V C -1.084 174.578 176.094 -0.720 0.000 1.021 97 V CA -1.642 60.401 62.300 -0.428 0.000 0.848 97 V CB 2.223 33.962 31.823 -0.140 0.000 0.998 97 V HN 0.430 8.371 8.190 -0.414 0.000 0.424 98 G N 4.532 112.910 108.800 -0.704 0.000 2.531 98 G HA2 0.483 4.229 3.960 -0.356 0.000 0.281 98 G HA3 0.483 4.356 3.960 -0.145 0.000 0.281 98 G C -0.831 174.011 174.900 -0.097 0.000 1.382 98 G CA -1.382 43.501 45.100 -0.362 0.000 1.045 98 G HN 0.337 8.327 8.290 -0.500 0.000 0.533 99 G N -2.138 106.662 108.800 -0.001 0.000 2.270 99 G HA2 -0.210 3.760 3.960 0.017 0.000 0.268 99 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.268 99 G C -0.896 174.014 174.900 0.017 0.000 1.312 99 G CA -0.491 44.614 45.100 0.008 0.000 1.050 99 G HN -0.077 8.243 8.290 0.050 0.000 0.474 100 A N -0.208 122.619 122.820 0.011 0.000 1.872 100 A HA -0.054 4.269 4.320 0.005 0.000 0.214 100 A C 0.463 178.050 177.584 0.006 0.000 1.187 100 A CA 1.359 53.400 52.037 0.007 0.000 0.614 100 A CB 0.234 19.237 19.000 0.006 0.000 0.826 100 A HN 0.124 8.279 8.150 0.009 0.000 0.442 101 E N -0.482 119.726 120.200 0.015 0.000 2.121 101 E HA 0.104 4.465 4.350 0.020 0.000 0.255 101 E C -2.025 174.604 176.600 0.047 0.000 0.906 101 E CA -1.050 55.367 56.400 0.028 0.000 0.745 101 E CB 0.176 29.896 29.700 0.034 0.000 1.155 101 E HN -0.026 8.342 8.360 0.014 0.000 0.424 102 A N 5.296 128.157 122.820 0.067 0.000 2.316 102 A HA 0.321 4.806 4.320 0.024 -0.151 0.284 102 A C -0.980 176.791 177.584 0.311 0.000 1.115 102 A CA -0.618 51.497 52.037 0.131 0.000 0.812 102 A CB 2.093 21.230 19.000 0.227 0.000 1.064 102 A HN 0.255 8.427 8.150 0.036 0.000 0.489 103 R N -1.726 118.952 120.500 0.296 0.000 2.774 103 R HA 0.905 5.802 4.340 0.623 -0.183 0.272 103 R C -1.842 174.626 176.300 0.281 0.000 1.000 103 R CA -2.531 53.803 56.100 0.390 0.000 0.906 103 R CB 4.866 35.302 30.300 0.227 0.000 1.227 103 R HN 0.437 8.764 8.270 0.094 0.000 0.468 104 I N 0.775 121.521 120.570 0.294 0.000 2.439 104 I HA 0.559 5.071 4.170 0.189 -0.229 0.285 104 I C -1.715 174.613 176.117 0.352 0.000 1.021 104 I CA -1.130 60.302 61.300 0.220 0.000 1.091 104 I CB 2.923 40.928 38.000 0.007 0.000 1.242 104 I HN 0.011 8.470 8.210 0.415 0.000 0.439 105 N N 9.414 128.276 118.700 0.270 0.000 2.425 105 N HA 0.560 5.470 4.740 0.283 0.000 0.268 105 N C -0.732 174.938 175.510 0.268 0.000 0.991 105 N CA -0.830 52.371 53.050 0.252 0.000 0.931 105 N CB 2.262 40.846 38.487 0.160 0.000 1.130 105 N HN 0.444 8.954 8.380 0.217 0.000 0.493 106 T N -0.204 114.547 114.554 0.328 0.000 2.865 106 T HA 0.733 5.340 4.350 0.215 -0.128 0.294 106 T C -1.244 173.620 174.700 0.274 0.000 1.119 106 T CA -1.918 60.369 62.100 0.311 0.000 1.007 106 T CB 3.275 72.416 68.868 0.456 0.000 1.225 106 T HN 0.687 9.141 8.240 0.357 0.000 0.515 107 Q N -0.641 119.261 119.800 0.170 0.000 2.397 107 Q HA 0.753 5.232 4.340 -0.026 -0.155 0.275 107 Q C -1.723 174.269 176.000 -0.013 0.000 1.090 107 Q CA -0.939 54.869 55.803 0.009 0.000 0.809 107 Q CB 4.975 33.686 28.738 -0.046 0.000 1.362 107 Q HN 0.403 8.756 8.270 0.140 0.000 0.431 108 W N -1.704 119.489 121.300 -0.177 0.000 3.029 108 W HA 0.920 5.456 4.660 -0.423 -0.130 0.339 108 W C -3.071 173.250 176.519 -0.330 0.000 1.198 108 W CA -2.737 54.359 57.345 -0.415 0.000 1.148 108 W CB 3.395 32.337 29.460 -0.864 0.000 1.451 108 W HN 1.071 8.719 8.180 -0.705 0.109 0.564 109 L N -0.553 120.694 121.223 0.039 0.000 2.381 109 L HA 0.725 5.277 4.340 0.026 -0.196 0.274 109 L C -1.780 175.123 176.870 0.055 0.000 0.988 109 L CA -1.221 53.637 54.840 0.030 0.000 0.824 109 L CB 2.951 44.975 42.059 -0.059 0.000 1.263 109 L HN 0.481 8.656 8.230 -0.092 0.000 0.410 110 L N 5.726 127.036 121.223 0.144 0.000 2.295 110 L HA 0.710 5.201 4.340 -0.043 -0.178 0.281 110 L C -1.614 175.266 176.870 0.017 0.000 1.018 110 L CA -1.564 53.297 54.840 0.035 0.000 0.841 110 L CB 2.708 44.783 42.059 0.026 0.000 1.218 110 L HN 0.754 9.108 8.230 0.206 0.000 0.424 111 T N 9.512 124.066 114.554 -0.001 0.000 2.794 111 T HA 0.617 5.175 4.350 -0.017 -0.219 0.280 111 T C -0.729 173.976 174.700 0.008 0.000 0.987 111 T CA -0.204 61.892 62.100 -0.007 0.000 0.993 111 T CB 1.729 70.589 68.868 -0.012 0.000 0.939 111 T HN 0.809 9.045 8.240 -0.006 0.000 0.449 112 S N 6.313 122.008 115.700 -0.008 0.000 2.549 112 S HA 0.446 5.073 4.470 0.040 -0.134 0.297 112 S C -0.134 174.468 174.600 0.003 0.000 1.115 112 S CA -0.267 57.937 58.200 0.007 0.000 1.059 112 S CB 2.131 65.318 63.200 -0.021 0.000 1.046 112 S HN 0.233 8.526 8.310 -0.029 0.000 0.506 113 G N 2.006 110.823 108.800 0.029 0.000 2.380 113 G HA2 0.042 4.002 3.960 -0.001 0.000 0.262 113 G HA3 0.042 4.010 3.960 0.013 0.000 0.262 113 G C -1.172 173.714 174.900 -0.023 0.000 1.243 113 G CA 0.376 45.478 45.100 0.005 0.000 0.865 113 G HN 0.099 8.432 8.290 0.071 0.000 0.513 114 T N 1.073 115.606 114.554 -0.034 0.000 2.742 114 T HA 0.253 4.574 4.350 -0.048 0.000 0.282 114 T C -0.684 173.997 174.700 -0.033 0.000 1.025 114 T CA -1.629 60.444 62.100 -0.046 0.000 1.020 114 T CB 2.215 71.039 68.868 -0.072 0.000 1.317 114 T HN -0.156 8.067 8.240 -0.028 0.000 0.538 115 T N -2.730 111.808 114.554 -0.027 0.000 2.847 115 T HA 0.139 4.481 4.350 -0.012 0.000 0.279 115 T C 0.596 175.299 174.700 0.005 0.000 0.984 115 T CA -1.060 61.034 62.100 -0.009 0.000 0.988 115 T CB 1.070 69.936 68.868 -0.003 0.000 1.040 115 T HN -0.207 8.013 8.240 -0.033 0.000 0.528 116 E N 0.880 121.090 120.200 0.017 0.000 2.153 116 E HA -0.382 3.984 4.350 0.028 0.000 0.194 116 E C 2.047 178.686 176.600 0.064 0.000 0.988 116 E CA 2.617 59.036 56.400 0.033 0.000 0.811 116 E CB -0.342 29.375 29.700 0.029 0.000 0.746 116 E HN 0.424 8.792 8.360 0.013 0.000 0.466 117 A N -0.299 122.561 122.820 0.066 0.000 1.902 117 A HA -0.163 4.229 4.320 0.122 0.000 0.217 117 A C 1.007 178.703 177.584 0.187 0.000 1.181 117 A CA 2.411 54.516 52.037 0.113 0.000 0.623 117 A CB -0.609 18.444 19.000 0.088 0.000 0.818 117 A HN 0.130 8.289 8.150 0.045 0.018 0.443 118 N N -3.295 115.453 118.700 0.081 0.000 2.276 118 N HA 0.152 4.895 4.740 0.005 0.000 0.212 118 N C 0.481 175.878 175.510 -0.188 0.000 1.127 118 N CA -0.357 52.660 53.050 -0.054 0.000 0.834 118 N CB 0.174 38.590 38.487 -0.118 0.000 1.014 118 N HN -0.665 7.651 8.380 0.040 0.088 0.491 119 A N 1.147 123.952 122.820 -0.025 0.000 2.015 119 A HA -0.042 4.231 4.320 -0.078 0.000 0.219 119 A C 1.645 179.212 177.584 -0.028 0.000 1.163 119 A CA 2.582 54.600 52.037 -0.032 0.000 0.646 119 A CB -0.385 18.635 19.000 0.033 0.000 0.806 119 A HN -0.559 7.447 8.150 0.066 0.184 0.448 120 W N -4.696 116.600 121.300 -0.007 0.000 2.392 120 W HA -0.226 4.428 4.660 -0.010 0.000 0.279 120 W C -0.372 176.142 176.519 -0.009 0.000 1.225 120 W CA 0.802 58.141 57.345 -0.009 0.000 1.233 120 W CB -0.839 28.616 29.460 -0.009 0.000 1.122 120 W HN -0.123 8.188 8.180 0.265 0.028 0.561 121 K N -2.207 117.687 120.400 -0.842 0.000 2.832 121 K HA 0.309 4.331 4.320 -0.497 0.000 0.211 121 K C -0.212 176.148 176.600 -0.400 0.000 1.112 121 K CA -0.586 55.233 56.287 -0.779 0.000 1.108 121 K CB -0.226 31.464 32.500 -1.349 0.000 0.899 121 K HN -0.759 6.733 8.250 -1.035 0.137 0.464 122 S N -0.584 114.972 115.700 -0.241 0.000 2.486 122 S HA -0.021 4.355 4.470 -0.156 0.000 0.220 122 S C -0.377 174.170 174.600 -0.089 0.000 1.011 122 S CA 1.340 59.453 58.200 -0.144 0.000 0.921 122 S CB 1.229 64.371 63.200 -0.095 0.000 0.785 122 S HN -0.412 7.715 8.310 -0.200 0.063 0.517 123 T N 4.966 119.474 114.554 -0.076 0.000 2.779 123 T HA 0.580 5.149 4.350 -0.028 -0.236 0.280 123 T C -0.416 174.262 174.700 -0.037 0.000 0.987 123 T CA 0.421 62.496 62.100 -0.042 0.000 0.966 123 T CB 1.736 70.583 68.868 -0.035 0.000 0.933 123 T HN -0.682 7.505 8.240 -0.088 0.000 0.442 124 L N 4.904 126.131 121.223 0.006 0.000 2.334 124 L HA 0.480 4.798 4.340 -0.038 0.000 0.272 124 L C -1.432 175.402 176.870 -0.059 0.000 1.020 124 L CA -0.877 53.972 54.840 0.016 0.000 0.812 124 L CB 2.951 45.095 42.059 0.141 0.000 1.264 124 L HN 0.658 8.804 8.230 0.037 0.106 0.439 125 V N 0.754 120.494 119.914 -0.291 0.000 2.823 125 V HA 1.057 5.007 4.120 -0.646 -0.217 0.312 125 V C -1.436 173.999 176.094 -1.097 0.000 1.072 125 V CA -2.991 58.946 62.300 -0.605 0.000 0.937 125 V CB 3.420 35.043 31.823 -0.332 0.000 1.013 125 V HN 0.009 8.058 8.190 -0.236 0.000 0.430 126 G N 4.115 111.870 108.800 -1.743 0.000 2.554 126 G HA2 0.219 3.655 3.960 -0.872 0.000 0.306 126 G HA3 0.219 2.945 3.960 -2.056 0.000 0.306 126 G C -3.352 170.792 174.900 -1.259 0.000 1.320 126 G CA 0.444 44.571 45.100 -1.621 0.000 0.800 126 G HN -0.083 7.217 8.290 -1.650 0.000 0.481 127 H N -3.754 115.029 119.070 -0.477 0.000 2.894 127 H HA 0.597 5.208 4.556 -0.070 -0.097 0.367 127 H C -1.757 173.725 175.328 0.256 0.000 1.144 127 H CA -1.619 54.385 56.048 -0.073 0.000 1.180 127 H CB 3.482 33.209 29.762 -0.058 0.000 1.758 127 H HN 0.079 7.736 8.280 -1.038 0.000 0.541 128 D N 1.286 121.960 120.400 0.457 0.000 2.671 128 D HA 0.336 5.232 4.640 0.196 -0.139 0.232 128 D C -1.048 175.360 176.300 0.180 0.000 1.114 128 D CA -0.415 53.757 54.000 0.286 0.000 0.858 128 D CB 4.737 45.697 40.800 0.266 0.000 1.544 128 D HN 0.117 8.689 8.370 0.511 0.104 0.471 129 T N 3.883 118.435 114.554 -0.003 0.000 2.824 129 T HA 0.666 5.334 4.350 0.242 -0.173 0.282 129 T C -1.248 173.419 174.700 -0.056 0.000 0.993 129 T CA -0.257 61.901 62.100 0.098 0.000 0.967 129 T CB 2.079 71.029 68.868 0.138 0.000 0.960 129 T HN 0.599 9.138 8.240 -0.069 -0.341 0.441 130 F N 5.678 125.811 119.950 0.305 0.000 2.480 130 F HA 0.657 5.607 4.527 0.372 -0.199 0.329 130 F C -0.045 176.060 175.800 0.509 0.000 1.091 130 F CA -1.547 56.690 58.000 0.395 0.000 0.972 130 F CB 3.501 42.733 39.000 0.386 0.000 1.150 130 F HN 0.895 9.510 8.300 0.524 0.000 0.467 131 T N 4.280 119.227 114.554 0.655 0.000 2.807 131 T HA 0.404 5.034 4.350 0.468 0.000 0.279 131 T C -1.105 173.779 174.700 0.306 0.000 0.993 131 T CA -0.528 61.844 62.100 0.452 0.000 0.970 131 T CB 2.136 71.164 68.868 0.266 0.000 0.950 131 T HN 0.965 9.569 8.240 0.607 0.000 0.441 132 K N 7.430 127.755 120.400 -0.125 0.000 2.218 132 K HA 0.188 4.007 4.320 -1.074 -0.144 0.276 132 K C -0.714 175.684 176.600 -0.337 0.000 1.022 132 K CA -0.176 55.626 56.287 -0.810 0.000 0.946 132 K CB 1.066 32.740 32.500 -1.377 0.000 1.000 132 K HN -0.260 7.986 8.250 -0.008 0.000 0.468 133 V N 4.800 124.522 119.914 -0.319 0.000 2.630 133 V HA 0.099 4.178 4.120 -0.068 0.000 0.305 133 V C -0.999 174.989 176.094 -0.177 0.000 1.046 133 V CA -2.061 60.166 62.300 -0.122 0.000 0.934 133 V CB 1.648 33.486 31.823 0.025 0.000 1.003 133 V HN 0.292 8.187 8.190 -0.492 0.000 0.451 134 K N 5.268 125.601 120.400 -0.111 0.000 2.276 134 K HA 0.231 4.469 4.320 -0.137 0.000 0.285 134 K C -1.874 174.674 176.600 -0.086 0.000 1.062 134 K CA -3.302 52.922 56.287 -0.106 0.000 0.918 134 K CB 0.048 32.504 32.500 -0.072 0.000 1.055 134 K HN 0.114 8.318 8.250 -0.076 0.000 0.477 135 P HA 0.000 4.369 4.420 -0.085 0.000 0.216 135 P CA 0.000 63.038 63.100 -0.103 0.000 0.800 135 P CB 0.000 31.648 31.700 -0.087 0.000 0.726