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 2izc_1_D DATA FIRST_RESID 13 DATA SEQUENCE AEAGITGTWY NQLGSTFIVT AGADGALTGT YESAVGNAES RYVLTGRYDS DATA SEQUENCE APATDGSGTA LGWTVAWKNN YRNAHSATTW SGQYVGGAEA RINTQWLLTS DATA SEQUENCE GTTEANAWKS TLVGHDTFTK V 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 4.575 4.320 0.425 0.000 0.244 13 A C 0.000 177.668 177.584 0.140 0.000 1.274 13 A CA 0.000 52.216 52.037 0.298 0.000 0.836 13 A CB 0.000 19.121 19.000 0.202 0.000 0.831 14 E N -0.896 119.370 120.200 0.110 0.000 3.562 14 E HA -0.525 3.930 4.350 0.176 0.000 0.277 14 E C 1.593 178.122 176.600 -0.119 0.000 1.503 14 E CA 1.065 57.504 56.400 0.064 0.000 2.178 14 E CB -0.535 29.228 29.700 0.106 0.000 2.019 14 E HN 0.432 8.905 8.360 0.188 0.000 0.466 15 A N 1.797 124.577 122.820 -0.068 0.000 1.762 15 A HA -0.466 3.790 4.320 -0.106 0.000 0.285 15 A C 1.984 179.479 177.584 -0.148 0.000 2.926 15 A CA 2.810 54.790 52.037 -0.095 0.000 0.873 15 A CB -0.482 18.498 19.000 -0.034 0.000 0.820 15 A HN 0.506 8.656 8.150 -0.001 0.000 0.524 16 G N -2.356 106.389 108.800 -0.091 0.000 2.773 16 G HA2 -0.435 3.530 3.960 0.008 0.000 0.224 16 G HA3 -0.435 3.593 3.960 0.114 0.000 0.224 16 G C 1.337 176.163 174.900 -0.124 0.000 1.078 16 G CA 1.897 46.979 45.100 -0.030 0.000 0.724 16 G HN 0.142 8.407 8.290 -0.033 0.006 0.620 17 I N 1.040 121.350 120.570 -0.433 0.000 2.439 17 I HA -0.324 3.753 4.170 -0.155 0.000 0.251 17 I C 0.124 176.208 176.117 -0.054 0.000 1.139 17 I CA 2.550 63.629 61.300 -0.368 0.000 1.438 17 I CB -0.040 37.535 38.000 -0.708 0.000 1.085 17 I HN -0.452 7.387 8.210 -0.499 0.072 0.427 18 T N 1.977 116.427 114.554 -0.173 0.000 2.934 18 T HA -0.306 4.102 4.350 -0.209 -0.183 0.306 18 T C -0.121 174.495 174.700 -0.141 0.000 1.042 18 T CA 3.247 65.248 62.100 -0.164 0.000 1.145 18 T CB -0.018 68.752 68.868 -0.164 0.000 0.982 18 T HN -0.124 7.859 8.240 -0.231 0.118 0.544 19 G N 4.368 113.053 108.800 -0.192 0.000 2.340 19 G HA2 -0.178 3.635 3.960 -0.245 0.000 0.282 19 G HA3 -0.178 3.552 3.960 -0.383 0.000 0.282 19 G C -3.193 171.503 174.900 -0.341 0.000 1.312 19 G CA 0.062 44.988 45.100 -0.291 0.000 0.942 19 G HN -0.092 8.069 8.290 -0.214 0.000 0.495 20 T N 2.055 116.349 114.554 -0.433 0.000 2.797 20 T HA 0.819 5.135 4.350 -0.353 -0.178 0.279 20 T C -0.984 173.393 174.700 -0.539 0.000 0.991 20 T CA 0.508 62.359 62.100 -0.414 0.000 0.979 20 T CB 1.281 69.949 68.868 -0.334 0.000 0.943 20 T HN 0.024 8.001 8.240 -0.439 0.000 0.444 21 W N 4.983 126.021 121.300 -0.436 0.000 2.820 21 W HA 0.435 5.214 4.660 -0.020 -0.131 0.350 21 W C -1.629 174.680 176.519 -0.349 0.000 1.116 21 W CA -1.369 55.868 57.345 -0.180 0.000 1.146 21 W CB 3.620 33.134 29.460 0.090 0.000 1.433 21 W HN 0.975 9.049 8.180 -0.177 0.000 0.561 22 Y N -3.038 117.569 120.300 0.513 0.000 2.512 22 Y HA 0.853 5.815 4.550 0.334 -0.211 0.348 22 Y C -0.907 175.234 175.900 0.402 0.000 0.990 22 Y CA -1.861 56.464 58.100 0.375 0.000 1.033 22 Y CB 3.665 42.242 38.460 0.196 0.000 1.259 22 Y HN 1.043 9.756 8.280 0.721 0.000 0.461 23 N N -0.074 118.849 118.700 0.372 0.000 2.525 23 N HA 0.637 5.513 4.740 -0.097 -0.194 0.288 23 N C 2.010 177.558 175.510 0.063 0.000 1.242 23 N CA -3.020 50.012 53.050 -0.031 0.000 0.905 23 N CB 2.027 40.268 38.487 -0.411 0.000 1.258 23 N HN -0.010 8.597 8.380 0.379 0.000 0.551 24 Q N -0.058 119.741 119.800 -0.000 0.000 2.248 24 Q HA -0.255 4.117 4.340 0.053 0.000 0.208 24 Q C 0.392 176.420 176.000 0.046 0.000 0.984 24 Q CA 2.742 58.566 55.803 0.035 0.000 0.875 24 Q CB -0.551 28.200 28.738 0.022 0.000 0.910 24 Q HN 0.373 8.596 8.270 -0.078 0.000 0.433 25 L N -4.310 116.944 121.223 0.052 0.000 2.446 25 L HA 0.092 4.462 4.340 0.049 0.000 0.219 25 L C 0.943 177.865 176.870 0.087 0.000 1.116 25 L CA -0.214 54.664 54.840 0.064 0.000 0.844 25 L CB 0.349 42.449 42.059 0.069 0.000 0.970 25 L HN -0.757 7.614 8.230 0.037 -0.118 0.457 26 G N -2.992 105.880 108.800 0.121 0.000 2.179 26 G HA2 -0.288 3.771 3.960 0.165 0.000 0.220 26 G HA3 -0.288 3.738 3.960 0.110 0.000 0.220 26 G C -0.066 174.948 174.900 0.189 0.000 0.990 26 G CA -0.207 44.981 45.100 0.148 0.000 0.646 26 G HN -0.005 8.359 8.290 0.128 0.003 0.517 27 S N 2.493 118.305 115.700 0.187 0.000 2.585 27 S HA 0.199 4.803 4.470 0.115 -0.066 0.273 27 S C -0.579 174.066 174.600 0.075 0.000 1.339 27 S CA 1.079 59.357 58.200 0.130 0.000 1.028 27 S CB 0.765 64.099 63.200 0.222 0.000 0.906 27 S HN -0.170 8.529 8.310 0.185 -0.277 0.528 28 T N 3.896 118.375 114.554 -0.125 0.000 2.863 28 T HA 0.744 5.150 4.350 -0.226 -0.193 0.285 28 T C -1.702 172.773 174.700 -0.376 0.000 1.009 28 T CA -0.357 61.608 62.100 -0.226 0.000 0.989 28 T CB 2.450 71.205 68.868 -0.188 0.000 1.004 28 T HN 0.542 8.679 8.240 -0.171 0.000 0.455 29 F N 7.234 126.878 119.950 -0.510 0.000 2.507 29 F HA 0.677 5.002 4.527 -0.558 -0.133 0.328 29 F C -3.025 172.568 175.800 -0.344 0.000 1.136 29 F CA -2.539 55.143 58.000 -0.531 0.000 0.930 29 F CB 3.481 42.065 39.000 -0.694 0.000 1.166 29 F HN 0.834 9.009 8.300 -0.209 0.000 0.436 30 I N 8.428 128.733 120.570 -0.442 0.000 2.382 30 I HA 0.502 4.590 4.170 -0.418 -0.168 0.285 30 I C -1.681 174.103 176.117 -0.555 0.000 1.007 30 I CA -1.160 59.884 61.300 -0.427 0.000 1.142 30 I CB 1.359 39.204 38.000 -0.258 0.000 1.289 30 I HN 0.884 8.910 8.210 -0.306 0.000 0.453 31 V N 4.216 123.741 119.914 -0.648 0.000 2.914 31 V HA 0.940 4.938 4.120 -0.505 -0.182 0.314 31 V C -1.008 174.865 176.094 -0.369 0.000 1.084 31 V CA -2.921 59.016 62.300 -0.605 0.000 0.963 31 V CB 3.138 34.427 31.823 -0.889 0.000 1.025 31 V HN 0.740 8.592 8.190 -0.563 0.000 0.432 32 T N 4.261 118.640 114.554 -0.292 0.000 2.841 32 T HA 0.230 4.460 4.350 -0.201 0.000 0.285 32 T C -1.897 172.687 174.700 -0.193 0.000 0.991 32 T CA -0.644 61.334 62.100 -0.203 0.000 0.966 32 T CB 1.903 70.685 68.868 -0.142 0.000 0.962 32 T HN 0.609 8.674 8.240 -0.293 0.000 0.438 33 A N 7.201 129.897 122.820 -0.208 0.000 2.276 33 A HA 0.842 5.258 4.320 -0.150 -0.186 0.316 33 A C -0.791 176.778 177.584 -0.026 0.000 1.229 33 A CA -2.025 49.884 52.037 -0.214 0.000 0.851 33 A CB 1.743 20.405 19.000 -0.563 0.000 1.165 33 A HN 0.049 8.074 8.150 -0.207 0.000 0.513 34 G N 0.882 109.750 108.800 0.115 0.000 2.425 34 G HA2 0.261 4.247 3.960 0.043 0.000 0.302 34 G HA3 0.261 4.267 3.960 0.077 0.000 0.302 34 G C 0.178 175.180 174.900 0.171 0.000 1.159 34 G CA -1.318 43.840 45.100 0.098 0.000 0.865 34 G HN 0.540 8.828 8.290 0.187 0.114 0.515 35 A N 1.372 124.250 122.820 0.096 0.000 2.032 35 A HA -0.240 4.157 4.320 0.128 0.000 0.221 35 A C 0.677 178.282 177.584 0.035 0.000 1.165 35 A CA 2.303 54.390 52.037 0.084 0.000 0.645 35 A CB -0.330 18.693 19.000 0.039 0.000 0.807 35 A HN 0.493 8.677 8.150 0.057 0.000 0.453 36 D N -4.075 116.329 120.400 0.008 0.000 2.427 36 D HA 0.043 4.638 4.640 -0.075 0.000 0.224 36 D C -0.466 175.751 176.300 -0.138 0.000 1.157 36 D CA -0.758 53.207 54.000 -0.058 0.000 0.828 36 D CB 0.241 41.023 40.800 -0.030 0.000 0.974 36 D HN -0.307 8.047 8.370 0.032 0.036 0.498 37 G N -1.926 106.723 108.800 -0.250 0.000 2.201 37 G HA2 -0.352 3.035 3.960 -1.130 0.000 0.212 37 G HA3 -0.352 3.426 3.960 -0.304 0.000 0.212 37 G C -1.855 173.030 174.900 -0.025 0.000 0.994 37 G CA 0.073 44.924 45.100 -0.415 0.000 0.644 37 G HN -0.495 7.639 8.290 -0.163 0.059 0.508 38 A N -0.358 122.534 122.820 0.119 0.000 2.302 38 A HA 0.406 4.799 4.320 0.122 0.000 0.285 38 A C -1.803 175.899 177.584 0.197 0.000 1.105 38 A CA -1.147 50.977 52.037 0.145 0.000 0.816 38 A CB 2.224 21.268 19.000 0.073 0.000 1.067 38 A HN -0.554 7.655 8.150 0.098 0.000 0.489 39 L N 2.601 123.899 121.223 0.124 0.000 2.376 39 L HA 0.957 5.467 4.340 -0.037 -0.192 0.275 39 L C -0.994 175.868 176.870 -0.013 0.000 0.987 39 L CA -0.848 54.010 54.840 0.030 0.000 0.828 39 L CB 4.101 46.210 42.059 0.084 0.000 1.249 39 L HN -0.080 8.219 8.230 0.115 0.000 0.409 40 T N 1.047 115.552 114.554 -0.083 0.000 2.916 40 T HA 0.826 5.309 4.350 -0.049 -0.163 0.305 40 T C -0.950 173.659 174.700 -0.150 0.000 1.119 40 T CA -2.122 59.930 62.100 -0.080 0.000 1.008 40 T CB 3.463 72.301 68.868 -0.050 0.000 1.129 40 T HN 0.398 8.563 8.240 -0.125 0.000 0.480 41 G N -0.220 108.503 108.800 -0.127 0.000 2.360 41 G HA2 0.254 4.125 3.960 -0.148 0.000 0.276 41 G HA3 0.254 4.269 3.960 -0.265 -0.215 0.276 41 G C -2.642 172.205 174.900 -0.088 0.000 1.256 41 G CA 0.962 45.964 45.100 -0.164 0.000 0.890 41 G HN -0.317 7.926 8.290 -0.078 0.000 0.486 42 T N -1.980 112.522 114.554 -0.086 0.000 2.906 42 T HA 0.855 5.386 4.350 0.063 -0.144 0.295 42 T C -2.583 172.170 174.700 0.088 0.000 1.061 42 T CA -2.073 60.039 62.100 0.021 0.000 1.000 42 T CB 3.644 72.516 68.868 0.006 0.000 1.103 42 T HN 0.258 8.403 8.240 -0.159 0.000 0.486 43 Y N 2.075 122.429 120.300 0.091 0.000 2.391 43 Y HA 0.545 5.329 4.550 0.134 -0.154 0.341 43 Y C -2.679 173.398 175.900 0.295 0.000 0.965 43 Y CA -1.686 56.514 58.100 0.166 0.000 1.067 43 Y CB 4.264 42.805 38.460 0.135 0.000 1.199 43 Y HN 0.804 9.270 8.280 0.309 0.000 0.450 44 E N 8.266 128.532 120.200 0.111 0.000 2.191 44 E HA 0.632 5.446 4.350 0.438 -0.202 0.263 44 E C -1.722 175.028 176.600 0.249 0.000 0.881 44 E CA -2.114 54.434 56.400 0.248 0.000 0.757 44 E CB 3.911 33.667 29.700 0.094 0.000 1.147 44 E HN 0.672 8.847 8.360 -0.307 0.000 0.414 45 S N 6.981 122.952 115.700 0.452 0.000 2.686 45 S HA 0.424 5.157 4.470 0.439 0.000 0.270 45 S C -0.516 174.201 174.600 0.196 0.000 1.194 45 S CA -1.174 57.246 58.200 0.367 0.000 0.990 45 S CB 0.823 64.187 63.200 0.274 0.000 1.029 45 S HN -0.006 8.639 8.310 0.558 0.000 0.560 46 A N 0.685 123.592 122.820 0.144 0.000 2.242 46 A HA 0.362 4.733 4.320 0.085 0.000 0.205 46 A C -0.729 176.876 177.584 0.034 0.000 1.353 46 A CA 0.433 52.523 52.037 0.088 0.000 1.005 46 A CB 1.505 20.561 19.000 0.093 0.000 1.127 46 A HN 0.245 8.491 8.150 0.161 0.000 0.498 47 V N -4.622 115.287 119.914 -0.008 0.000 3.156 47 V HA 0.619 4.710 4.120 -0.049 0.000 0.311 47 V C -0.590 175.395 176.094 -0.181 0.000 1.208 47 V CA -1.788 60.466 62.300 -0.076 0.000 1.063 47 V CB 2.031 33.804 31.823 -0.083 0.000 1.098 47 V HN -0.072 8.121 8.190 0.005 0.000 0.452 48 G N 1.305 109.987 108.800 -0.196 0.000 2.660 48 G HA2 -0.254 3.546 3.960 -0.266 0.000 0.247 48 G HA3 -0.254 3.421 3.960 -0.475 0.000 0.247 48 G C -0.889 173.893 174.900 -0.195 0.000 1.328 48 G CA -0.292 44.634 45.100 -0.290 0.000 0.884 48 G HN 0.302 8.507 8.290 -0.141 0.000 0.531 49 N N 1.919 120.485 118.700 -0.224 0.000 3.301 49 N HA 0.126 4.837 4.740 -0.047 0.000 0.289 49 N C -1.923 173.549 175.510 -0.064 0.000 1.343 49 N CA -1.394 51.598 53.050 -0.097 0.000 1.136 49 N CB -1.631 36.808 38.487 -0.080 0.000 1.402 49 N HN 0.205 8.381 8.380 -0.341 0.000 0.516 50 A N -0.633 122.173 122.820 -0.024 0.000 2.384 50 A HA 0.485 5.013 4.320 0.346 0.000 0.312 50 A C -1.653 176.098 177.584 0.279 0.000 1.113 50 A CA -1.705 50.440 52.037 0.180 0.000 0.779 50 A CB 2.948 21.962 19.000 0.024 0.000 1.307 50 A HN -0.562 7.499 8.150 -0.043 0.062 0.436 51 E N 2.787 123.250 120.200 0.438 0.000 2.640 51 E HA 0.176 4.627 4.350 0.170 0.000 0.360 51 E C -1.805 174.888 176.600 0.155 0.000 1.014 51 E CA 0.396 56.933 56.400 0.229 0.000 0.757 51 E CB 0.831 30.636 29.700 0.175 0.000 1.565 51 E HN 0.276 9.104 8.360 0.779 0.000 0.381 52 S N 1.640 117.426 115.700 0.144 0.000 4.019 52 S HA -0.322 4.181 4.470 0.055 0.000 0.635 52 S C -1.496 173.154 174.600 0.084 0.000 1.684 52 S CA 0.726 58.958 58.200 0.054 0.000 2.024 52 S CB 0.104 63.278 63.200 -0.043 0.000 0.327 52 S HN 0.190 8.615 8.310 0.191 0.000 1.588 53 R N 2.060 122.547 120.500 -0.020 0.000 2.457 53 R HA 0.463 5.121 4.340 0.212 -0.191 0.284 53 R C -0.744 175.425 176.300 -0.219 0.000 1.024 53 R CA -0.796 55.322 56.100 0.030 0.000 1.025 53 R CB 0.715 31.033 30.300 0.030 0.000 1.063 53 R HN 0.074 8.331 8.270 -0.022 0.000 0.493 54 Y N -1.391 119.011 120.300 0.170 0.000 2.545 54 Y HA 0.191 4.790 4.550 0.081 0.000 0.348 54 Y C -0.846 175.081 175.900 0.045 0.000 1.002 54 Y CA -1.116 57.041 58.100 0.095 0.000 1.039 54 Y CB 3.407 41.893 38.460 0.044 0.000 1.271 54 Y HN 0.364 8.876 8.280 0.388 0.000 0.467 55 V N 1.532 121.535 119.914 0.147 0.000 2.649 55 V HA -0.000 4.155 4.120 0.059 0.000 0.292 55 V C -0.669 175.462 176.094 0.062 0.000 1.055 55 V CA 1.066 63.409 62.300 0.072 0.000 1.023 55 V CB 0.418 32.263 31.823 0.036 0.000 0.992 55 V HN 0.739 9.019 8.190 0.149 0.000 0.480 56 L N 2.232 123.485 121.223 0.051 0.000 2.388 56 L HA 1.067 5.631 4.340 0.086 -0.172 0.264 56 L C -1.526 175.379 176.870 0.058 0.000 0.998 56 L CA -1.558 53.326 54.840 0.073 0.000 0.817 56 L CB 4.291 46.393 42.059 0.071 0.000 1.338 56 L HN 0.112 8.360 8.230 0.030 0.000 0.414 57 T N 1.412 116.033 114.554 0.111 0.000 2.916 57 T HA 0.694 5.247 4.350 0.059 -0.168 0.305 57 T C -1.418 173.389 174.700 0.179 0.000 1.119 57 T CA -1.486 60.671 62.100 0.095 0.000 1.008 57 T CB 2.368 71.274 68.868 0.064 0.000 1.129 57 T HN -0.136 8.204 8.240 0.166 0.000 0.480 58 G N 2.724 111.625 108.800 0.170 0.000 2.634 58 G HA2 0.696 4.787 3.960 0.217 0.000 0.309 58 G HA3 0.696 4.982 3.960 0.340 -0.122 0.309 58 G C -2.883 172.128 174.900 0.184 0.000 1.299 58 G CA 0.488 45.728 45.100 0.233 0.000 0.798 58 G HN 0.536 8.897 8.290 0.117 0.000 0.490 59 R N -3.392 117.235 120.500 0.211 0.000 2.707 59 R HA 1.129 5.805 4.340 0.197 -0.218 0.272 59 R C -1.747 174.711 176.300 0.263 0.000 1.011 59 R CA -2.180 54.032 56.100 0.187 0.000 0.893 59 R CB 4.820 35.178 30.300 0.096 0.000 1.233 59 R HN 0.040 8.457 8.270 0.246 0.000 0.464 60 Y N -2.073 118.262 120.300 0.059 0.000 2.581 60 Y HA 0.665 5.394 4.550 0.083 -0.128 0.345 60 Y C -1.733 174.195 175.900 0.046 0.000 1.036 60 Y CA -2.775 55.361 58.100 0.061 0.000 1.042 60 Y CB 2.719 41.201 38.460 0.037 0.000 1.289 60 Y HN 0.350 8.693 8.280 0.105 0.000 0.471 61 D N 1.711 122.126 120.400 0.025 0.000 2.427 61 D HA 0.172 4.715 4.640 -0.162 0.000 0.226 61 D C -1.300 174.977 176.300 -0.038 0.000 1.076 61 D CA -0.855 53.105 54.000 -0.067 0.000 0.849 61 D CB 0.631 41.443 40.800 0.020 0.000 1.052 61 D HN 0.074 8.555 8.370 0.184 0.000 0.515 62 S N 4.598 120.186 115.700 -0.187 0.000 2.681 62 S HA 0.152 4.700 4.470 0.129 0.000 0.299 62 S C -1.102 173.491 174.600 -0.011 0.000 1.113 62 S CA -0.804 57.383 58.200 -0.021 0.000 1.013 62 S CB 0.631 63.795 63.200 -0.061 0.000 1.076 62 S HN 0.189 8.296 8.310 -0.337 0.000 0.534 63 A N 4.822 127.666 122.820 0.041 0.000 3.497 63 A HA 0.029 4.360 4.320 0.018 0.000 0.107 63 A C -1.472 176.141 177.584 0.047 0.000 1.316 63 A CA 0.578 52.633 52.037 0.030 0.000 1.327 63 A CB -1.766 17.245 19.000 0.017 0.000 1.061 63 A HN 0.154 8.353 8.150 0.081 0.000 0.486 64 P HA -0.244 4.198 4.420 0.036 0.000 0.208 64 P C 0.530 177.859 177.300 0.050 0.000 1.189 64 P CA 1.251 64.379 63.100 0.046 0.000 0.931 64 P CB 0.305 32.035 31.700 0.049 0.000 0.783 65 A N -5.004 117.854 122.820 0.063 0.000 3.255 65 A HA -0.247 4.122 4.320 0.081 0.000 0.218 65 A C -1.307 176.312 177.584 0.058 0.000 0.729 65 A CA 0.427 52.503 52.037 0.065 0.000 1.744 65 A CB -1.568 17.464 19.000 0.054 0.000 1.006 65 A HN 0.131 8.324 8.150 0.072 0.000 0.662 66 T N 0.934 115.517 114.554 0.048 0.000 2.794 66 T HA 0.067 4.441 4.350 0.041 0.000 0.296 66 T C 0.310 175.034 174.700 0.041 0.000 0.949 66 T CA -0.566 61.559 62.100 0.041 0.000 1.101 66 T CB 0.058 68.945 68.868 0.033 0.000 0.905 66 T HN -0.424 7.776 8.240 0.044 0.067 0.516 67 D N 6.563 126.987 120.400 0.039 0.000 3.577 67 D HA -0.507 4.155 4.640 0.036 0.000 0.166 67 D C 0.792 177.115 176.300 0.038 0.000 1.039 67 D CA 1.343 55.365 54.000 0.036 0.000 0.860 67 D CB -0.952 39.865 40.800 0.028 0.000 0.456 67 D HN 0.150 8.543 8.370 0.039 0.000 0.418 68 G N 0.752 109.571 108.800 0.032 0.000 2.509 68 G HA2 -0.267 3.710 3.960 0.029 0.000 0.259 68 G HA3 -0.267 3.716 3.960 0.038 0.000 0.259 68 G C -0.605 174.316 174.900 0.035 0.000 1.169 68 G CA -0.380 44.740 45.100 0.034 0.000 0.953 68 G HN 0.201 8.508 8.290 0.028 0.000 0.563 69 S N 2.644 118.369 115.700 0.042 0.000 2.681 69 S HA 0.169 4.662 4.470 0.038 0.000 0.270 69 S C 0.372 175.009 174.600 0.061 0.000 1.209 69 S CA -0.144 58.084 58.200 0.047 0.000 0.988 69 S CB 0.916 64.147 63.200 0.050 0.000 1.006 69 S HN 0.331 8.668 8.310 0.045 0.000 0.558 70 G N -0.651 108.186 108.800 0.063 0.000 2.547 70 G HA2 0.148 4.191 3.960 0.067 0.000 0.291 70 G HA3 0.148 4.159 3.960 0.067 -0.010 0.291 70 G C -1.061 173.921 174.900 0.138 0.000 1.211 70 G CA -0.671 44.478 45.100 0.082 0.000 0.950 70 G HN 0.013 8.336 8.290 0.055 0.000 0.504 71 T N 3.638 118.320 114.554 0.213 0.000 2.749 71 T HA 0.142 4.609 4.350 0.195 0.000 0.287 71 T C -0.916 173.920 174.700 0.226 0.000 0.970 71 T CA 0.249 62.496 62.100 0.246 0.000 0.980 71 T CB 1.028 70.107 68.868 0.352 0.000 0.924 71 T HN 0.113 8.500 8.240 0.246 0.000 0.456 72 A N 8.873 131.800 122.820 0.178 0.000 2.425 72 A HA 0.603 5.207 4.320 0.154 -0.192 0.249 72 A C -1.286 176.417 177.584 0.197 0.000 1.084 72 A CA -0.321 51.811 52.037 0.158 0.000 0.781 72 A CB 1.101 20.168 19.000 0.111 0.000 1.019 72 A HN 0.744 8.986 8.150 0.153 0.000 0.490 73 L N -4.043 117.300 121.223 0.200 0.000 2.765 73 L HA 1.097 5.710 4.340 0.236 -0.131 0.263 73 L C -1.349 175.649 176.870 0.214 0.000 1.068 73 L CA -1.568 53.419 54.840 0.244 0.000 0.903 73 L CB 3.078 45.317 42.059 0.300 0.000 1.512 73 L HN 0.165 8.501 8.230 0.176 0.000 0.404 74 G N -3.465 105.491 108.800 0.259 0.000 2.632 74 G HA2 0.693 4.861 3.960 0.063 0.000 0.292 74 G HA3 0.693 4.717 3.960 0.107 0.000 0.292 74 G C -3.427 171.671 174.900 0.331 0.000 1.465 74 G CA 0.861 46.065 45.100 0.174 0.000 0.824 74 G HN -0.072 8.404 8.290 0.310 0.000 0.509 75 W N -2.903 118.472 121.300 0.125 0.000 3.059 75 W HA 0.687 5.494 4.660 0.077 -0.101 0.329 75 W C -3.199 173.418 176.519 0.164 0.000 1.246 75 W CA -1.333 56.069 57.345 0.096 0.000 1.190 75 W CB 2.031 31.509 29.460 0.029 0.000 1.423 75 W HN 0.409 8.512 8.180 -0.129 0.000 0.571 76 T N 1.288 116.027 114.554 0.309 0.000 2.907 76 T HA 0.902 5.523 4.350 0.122 -0.198 0.292 76 T C -1.467 173.334 174.700 0.168 0.000 1.043 76 T CA -0.646 61.554 62.100 0.167 0.000 1.003 76 T CB 3.143 72.045 68.868 0.057 0.000 1.084 76 T HN 0.600 9.054 8.240 0.357 0.000 0.483 77 V N 3.357 123.254 119.914 -0.027 0.000 2.668 77 V HA 0.338 4.481 4.120 -0.207 -0.147 0.304 77 V C -2.345 173.356 176.094 -0.656 0.000 1.071 77 V CA -1.021 61.065 62.300 -0.356 0.000 0.894 77 V CB 3.834 35.224 31.823 -0.722 0.000 1.008 77 V HN 0.525 8.669 8.190 -0.078 0.000 0.425 78 A N 5.242 127.778 122.820 -0.473 0.000 2.292 78 A HA 0.545 4.754 4.320 -0.362 -0.106 0.319 78 A C -0.176 177.144 177.584 -0.440 0.000 1.206 78 A CA -1.674 50.155 52.037 -0.347 0.000 0.835 78 A CB 1.812 20.745 19.000 -0.112 0.000 1.164 78 A HN 0.681 8.649 8.150 -0.303 0.000 0.505 79 W N 4.666 125.901 121.300 -0.109 0.000 1.496 79 W HA -0.056 4.261 4.660 -0.571 0.000 0.422 79 W C -1.467 175.084 176.519 0.053 0.000 0.638 79 W CA -1.399 55.807 57.345 -0.231 0.000 2.105 79 W CB -0.734 28.539 29.460 -0.311 0.000 1.639 79 W HN 0.595 8.691 8.180 -0.140 0.000 0.304 80 K N 1.326 121.935 120.400 0.348 0.000 2.507 80 K HA 0.755 5.458 4.320 0.250 -0.232 0.251 80 K C -1.699 175.043 176.600 0.236 0.000 0.943 80 K CA -1.157 55.280 56.287 0.251 0.000 0.794 80 K CB 3.061 35.613 32.500 0.086 0.000 1.188 80 K HN -0.412 7.932 8.250 0.289 0.079 0.428 81 N N 5.212 123.968 118.700 0.093 0.000 3.418 81 N HA 0.244 4.919 4.740 -0.109 0.000 0.316 81 N C -0.709 174.625 175.510 -0.293 0.000 1.601 81 N CA -1.070 51.892 53.050 -0.146 0.000 0.805 81 N CB 0.872 39.137 38.487 -0.370 0.000 1.873 81 N HN 0.865 9.308 8.380 0.105 0.000 0.615 82 N N -1.619 116.705 118.700 -0.626 0.000 2.512 82 N HA -0.019 4.461 4.740 -0.434 0.000 0.183 82 N C -0.127 174.846 175.510 -0.896 0.000 1.073 82 N CA 2.138 54.694 53.050 -0.824 0.000 0.911 82 N CB -0.369 37.495 38.487 -1.038 0.000 0.964 82 N HN 0.157 8.143 8.380 -0.656 0.000 0.447 83 Y N -2.530 117.756 120.300 -0.024 0.000 2.422 83 Y HA 0.091 4.643 4.550 0.003 0.000 0.291 83 Y C 0.106 176.025 175.900 0.031 0.000 1.144 83 Y CA 1.053 59.152 58.100 -0.001 0.000 1.208 83 Y CB 1.351 39.803 38.460 -0.015 0.000 1.195 83 Y HN -0.284 7.783 8.280 -0.748 -0.235 0.535 84 R N -2.005 118.591 120.500 0.159 0.000 2.854 84 R HA 0.233 4.637 4.340 0.107 0.000 0.271 84 R C -2.142 174.230 176.300 0.120 0.000 0.996 84 R CA -1.220 54.972 56.100 0.154 0.000 0.961 84 R CB 3.795 34.234 30.300 0.232 0.000 1.182 84 R HN 0.282 9.099 8.270 0.149 -0.458 0.479 85 N N 0.742 119.456 118.700 0.023 0.000 2.640 85 N HA 0.262 5.127 4.740 -0.030 -0.143 0.262 85 N C -1.459 173.870 175.510 -0.302 0.000 1.174 85 N CA 0.109 53.077 53.050 -0.136 0.000 0.791 85 N CB 0.766 39.115 38.487 -0.231 0.000 1.279 85 N HN 0.363 8.751 8.380 0.014 0.000 0.535 86 A N 1.645 124.390 122.820 -0.124 0.000 2.251 86 A HA 0.041 4.319 4.320 -0.071 0.000 0.209 86 A C -0.082 177.469 177.584 -0.055 0.000 1.187 86 A CA 0.006 51.992 52.037 -0.084 0.000 0.823 86 A CB 0.530 19.514 19.000 -0.027 0.000 0.846 86 A HN 0.669 8.837 8.150 0.030 0.000 0.486 87 H N -4.053 115.072 119.070 0.091 0.000 2.692 87 H HA -0.353 4.242 4.556 0.065 0.000 0.316 87 H C -2.003 173.363 175.328 0.064 0.000 1.176 87 H CA 0.957 57.043 56.048 0.064 0.000 1.142 87 H CB -2.926 26.857 29.762 0.034 0.000 1.475 87 H HN -0.285 7.886 8.280 -0.428 -0.148 0.423 88 S N -5.262 110.543 115.700 0.176 0.000 2.638 88 S HA 0.965 5.623 4.470 0.123 -0.114 0.274 88 S C -2.363 172.378 174.600 0.234 0.000 1.157 88 S CA -1.426 56.883 58.200 0.182 0.000 0.826 88 S CB 4.437 67.725 63.200 0.148 0.000 1.139 88 S HN -0.525 7.888 8.310 0.171 0.000 0.474 89 A N -1.331 121.587 122.820 0.162 0.000 2.549 89 A HA 0.844 5.181 4.320 -0.217 -0.147 0.297 89 A C -2.352 175.219 177.584 -0.022 0.000 1.061 89 A CA -0.419 51.604 52.037 -0.024 0.000 0.690 89 A CB 3.809 22.771 19.000 -0.064 0.000 1.287 89 A HN 0.511 8.736 8.150 0.125 0.000 0.402 90 T N 3.615 118.068 114.554 -0.168 0.000 2.863 90 T HA 1.060 5.472 4.350 -0.256 -0.216 0.285 90 T C -0.808 173.625 174.700 -0.444 0.000 1.009 90 T CA -1.110 60.778 62.100 -0.353 0.000 0.989 90 T CB 2.674 71.175 68.868 -0.612 0.000 1.004 90 T HN 0.831 8.863 8.240 -0.346 0.000 0.455 91 T N 1.902 116.194 114.554 -0.436 0.000 2.841 91 T HA 0.824 5.292 4.350 -0.132 -0.198 0.283 91 T C -1.389 173.092 174.700 -0.364 0.000 1.000 91 T CA -2.053 59.892 62.100 -0.258 0.000 0.977 91 T CB 2.654 71.446 68.868 -0.127 0.000 0.979 91 T HN 0.606 8.610 8.240 -0.393 0.000 0.446 92 W N 4.131 125.071 121.300 -0.600 0.000 2.632 92 W HA 0.452 5.121 4.660 -0.233 -0.149 0.328 92 W C -1.494 174.739 176.519 -0.477 0.000 1.044 92 W CA -1.451 55.533 57.345 -0.601 0.000 1.225 92 W CB 3.817 32.515 29.460 -1.270 0.000 1.396 92 W HN 0.822 8.869 8.180 -0.221 0.000 0.499 93 S N 1.338 117.014 115.700 -0.039 0.000 2.532 93 S HA 0.759 5.369 4.470 0.002 -0.138 0.299 93 S C -1.086 173.544 174.600 0.049 0.000 1.105 93 S CA -1.351 56.849 58.200 -0.001 0.000 1.018 93 S CB 1.610 64.808 63.200 -0.004 0.000 1.021 93 S HN 0.455 8.770 8.310 0.009 0.000 0.483 94 G N 3.346 112.197 108.800 0.085 0.000 2.500 94 G HA2 0.552 4.570 3.960 0.096 0.000 0.299 94 G HA3 0.552 4.748 3.960 0.147 -0.147 0.299 94 G C -3.491 171.493 174.900 0.140 0.000 1.242 94 G CA 0.892 46.063 45.100 0.119 0.000 0.859 94 G HN 0.417 8.764 8.290 0.094 0.000 0.481 95 Q N -3.331 116.559 119.800 0.151 0.000 2.379 95 Q HA 0.852 5.493 4.340 0.189 -0.188 0.278 95 Q C -2.422 173.684 176.000 0.177 0.000 1.068 95 Q CA -2.026 53.874 55.803 0.162 0.000 0.816 95 Q CB 4.375 33.184 28.738 0.118 0.000 1.387 95 Q HN 0.007 8.366 8.270 0.149 0.000 0.413 96 Y N 3.318 123.668 120.300 0.082 0.000 2.334 96 Y HA 0.700 5.438 4.550 0.035 -0.167 0.328 96 Y C -2.316 173.641 175.900 0.095 0.000 1.130 96 Y CA -1.398 56.738 58.100 0.059 0.000 1.163 96 Y CB 2.475 40.951 38.460 0.027 0.000 1.207 96 Y HN 0.765 9.115 8.280 0.306 0.113 0.471 97 V N 6.307 125.791 119.914 -0.716 0.000 2.686 97 V HA 0.269 4.156 4.120 -0.390 0.000 0.306 97 V C -1.613 174.036 176.094 -0.741 0.000 1.065 97 V CA -1.140 60.853 62.300 -0.512 0.000 0.894 97 V CB 4.040 35.757 31.823 -0.177 0.000 1.004 97 V HN 0.595 8.375 8.190 -0.684 0.000 0.424 98 G N 4.289 112.772 108.800 -0.528 0.000 2.795 98 G HA2 0.529 4.382 3.960 -0.180 0.000 0.267 98 G HA3 0.529 4.483 3.960 -0.011 0.000 0.267 98 G C -0.791 174.082 174.900 -0.044 0.000 1.362 98 G CA -1.730 43.247 45.100 -0.205 0.000 1.048 98 G HN 0.333 8.420 8.290 -0.337 0.000 0.547 99 G N -2.443 106.375 108.800 0.030 0.000 2.331 99 G HA2 -0.217 3.765 3.960 0.036 0.000 0.479 99 G HA3 -0.217 3.753 3.960 0.016 0.000 0.479 99 G C -0.852 174.069 174.900 0.035 0.000 1.262 99 G CA -0.639 44.478 45.100 0.029 0.000 1.029 99 G HN -0.163 8.170 8.290 0.072 0.000 0.487 100 A N -0.803 122.033 122.820 0.028 0.000 1.948 100 A HA -0.130 4.203 4.320 0.022 0.000 0.220 100 A C -0.054 177.547 177.584 0.029 0.000 1.177 100 A CA 1.858 53.910 52.037 0.025 0.000 0.636 100 A CB 0.185 19.197 19.000 0.020 0.000 0.815 100 A HN 0.170 8.334 8.150 0.024 0.000 0.449 101 E N -1.926 118.296 120.200 0.037 0.000 2.267 101 E HA 0.090 4.470 4.350 0.051 0.000 0.248 101 E C -2.151 174.495 176.600 0.076 0.000 0.899 101 E CA -1.085 55.348 56.400 0.054 0.000 0.764 101 E CB -0.368 29.364 29.700 0.053 0.000 1.227 101 E HN -0.324 8.040 8.360 0.033 0.016 0.421 102 A N 4.905 127.792 122.820 0.113 0.000 2.316 102 A HA 0.595 5.081 4.320 0.040 -0.143 0.284 102 A C -0.838 176.965 177.584 0.365 0.000 1.115 102 A CA -0.815 51.326 52.037 0.175 0.000 0.812 102 A CB 1.500 20.693 19.000 0.322 0.000 1.064 102 A HN 0.440 8.645 8.150 0.093 0.000 0.489 103 R N -2.935 117.737 120.500 0.288 0.000 2.734 103 R HA 0.949 5.838 4.340 0.648 -0.159 0.271 103 R C -2.007 174.385 176.300 0.153 0.000 1.021 103 R CA -1.723 54.588 56.100 0.352 0.000 0.893 103 R CB 3.571 34.005 30.300 0.224 0.000 1.244 103 R HN 0.764 9.058 8.270 0.040 0.000 0.464 104 I N -0.163 120.508 120.570 0.168 0.000 2.439 104 I HA 0.530 4.965 4.170 0.120 -0.193 0.285 104 I C -1.830 174.446 176.117 0.265 0.000 1.021 104 I CA -1.198 60.184 61.300 0.138 0.000 1.091 104 I CB 2.756 40.741 38.000 -0.024 0.000 1.242 104 I HN 0.238 8.624 8.210 0.293 0.000 0.439 105 N N 9.435 128.258 118.700 0.206 0.000 2.425 105 N HA 0.444 5.315 4.740 0.218 0.000 0.268 105 N C -0.964 174.676 175.510 0.216 0.000 0.991 105 N CA 0.068 53.237 53.050 0.197 0.000 0.931 105 N CB 2.259 40.822 38.487 0.127 0.000 1.130 105 N HN 0.396 8.874 8.380 0.164 0.000 0.493 106 T N 0.372 115.089 114.554 0.272 0.000 2.887 106 T HA 0.741 5.350 4.350 0.186 -0.147 0.292 106 T C -1.319 173.520 174.700 0.232 0.000 1.087 106 T CA -2.431 59.830 62.100 0.269 0.000 1.009 106 T CB 3.434 72.553 68.868 0.418 0.000 1.203 106 T HN 0.771 9.187 8.240 0.293 0.000 0.518 107 Q N 0.228 120.109 119.800 0.135 0.000 2.347 107 Q HA 0.759 5.219 4.340 -0.085 -0.171 0.271 107 Q C -1.443 174.531 176.000 -0.044 0.000 1.064 107 Q CA -0.980 54.805 55.803 -0.030 0.000 0.800 107 Q CB 4.579 33.278 28.738 -0.066 0.000 1.304 107 Q HN 0.143 8.485 8.270 0.120 0.000 0.438 108 W N -0.758 120.430 121.300 -0.186 0.000 2.902 108 W HA 0.964 5.519 4.660 -0.408 -0.139 0.346 108 W C -2.829 173.496 176.519 -0.323 0.000 1.139 108 W CA -3.047 54.049 57.345 -0.414 0.000 1.139 108 W CB 3.397 32.344 29.460 -0.854 0.000 1.439 108 W HN 0.963 8.553 8.180 -0.792 0.114 0.558 109 L N -0.612 120.637 121.223 0.044 0.000 2.381 109 L HA 0.740 5.280 4.340 0.013 -0.192 0.274 109 L C -1.810 175.098 176.870 0.063 0.000 0.988 109 L CA -1.227 53.630 54.840 0.029 0.000 0.824 109 L CB 3.038 45.064 42.059 -0.054 0.000 1.263 109 L HN 0.401 8.585 8.230 -0.076 0.000 0.410 110 L N 5.455 126.768 121.223 0.151 0.000 2.316 110 L HA 0.767 5.269 4.340 -0.032 -0.181 0.280 110 L C -1.789 175.095 176.870 0.023 0.000 1.006 110 L CA -1.730 53.138 54.840 0.046 0.000 0.836 110 L CB 2.989 45.073 42.059 0.041 0.000 1.221 110 L HN 0.649 8.997 8.230 0.195 0.000 0.418 111 T N 9.678 124.235 114.554 0.005 0.000 2.823 111 T HA 0.616 5.158 4.350 -0.018 -0.203 0.279 111 T C -0.749 173.957 174.700 0.011 0.000 0.998 111 T CA -0.397 61.700 62.100 -0.005 0.000 0.994 111 T CB 1.772 70.633 68.868 -0.012 0.000 0.960 111 T HN 0.667 8.908 8.240 0.002 0.000 0.448 112 S N 5.822 121.518 115.700 -0.007 0.000 2.593 112 S HA 0.349 4.963 4.470 0.046 -0.115 0.297 112 S C -0.319 174.285 174.600 0.005 0.000 1.112 112 S CA -0.431 57.776 58.200 0.011 0.000 1.043 112 S CB 2.711 65.901 63.200 -0.017 0.000 1.054 112 S HN 0.177 8.469 8.310 -0.031 0.000 0.516 113 G N 1.346 110.164 108.800 0.031 0.000 2.355 113 G HA2 0.054 4.014 3.960 -0.001 0.000 0.276 113 G HA3 0.054 4.024 3.960 0.016 0.000 0.276 113 G C -1.262 173.622 174.900 -0.026 0.000 1.198 113 G CA 0.243 45.346 45.100 0.006 0.000 0.876 113 G HN 0.261 8.596 8.290 0.074 0.000 0.478 114 T N 1.619 116.151 114.554 -0.036 0.000 2.858 114 T HA 0.274 4.594 4.350 -0.051 0.000 0.285 114 T C -0.718 173.962 174.700 -0.034 0.000 1.052 114 T CA -1.653 60.419 62.100 -0.047 0.000 1.009 114 T CB 2.522 71.348 68.868 -0.071 0.000 1.241 114 T HN -0.063 8.159 8.240 -0.030 0.000 0.542 115 T N -2.853 111.685 114.554 -0.027 0.000 2.847 115 T HA 0.121 4.464 4.350 -0.013 0.000 0.279 115 T C 1.130 175.833 174.700 0.005 0.000 0.984 115 T CA -1.405 60.689 62.100 -0.010 0.000 0.988 115 T CB 1.245 70.110 68.868 -0.005 0.000 1.040 115 T HN -0.136 8.085 8.240 -0.031 0.000 0.528 116 E N 1.396 121.607 120.200 0.018 0.000 2.160 116 E HA -0.388 3.982 4.350 0.033 0.000 0.195 116 E C 2.492 179.136 176.600 0.074 0.000 0.991 116 E CA 3.437 59.859 56.400 0.038 0.000 0.810 116 E CB -0.772 28.949 29.700 0.035 0.000 0.742 116 E HN 0.552 8.920 8.360 0.014 0.000 0.466 117 A N -0.424 122.439 122.820 0.072 0.000 1.986 117 A HA -0.214 4.187 4.320 0.134 0.000 0.220 117 A C 0.701 178.399 177.584 0.190 0.000 1.171 117 A CA 2.708 54.817 52.037 0.120 0.000 0.640 117 A CB -0.559 18.492 19.000 0.085 0.000 0.811 117 A HN 0.285 8.441 8.150 0.048 0.022 0.451 118 N N -4.414 114.330 118.700 0.073 0.000 2.214 118 N HA 0.088 4.802 4.740 -0.044 0.000 0.214 118 N C 0.895 176.286 175.510 -0.199 0.000 1.132 118 N CA 0.112 53.119 53.050 -0.072 0.000 0.856 118 N CB 0.863 39.282 38.487 -0.112 0.000 1.020 118 N HN -0.535 7.738 8.380 0.037 0.129 0.509 119 A N 2.074 124.877 122.820 -0.030 0.000 1.940 119 A HA -0.168 4.108 4.320 -0.073 0.000 0.219 119 A C 1.678 179.226 177.584 -0.059 0.000 1.176 119 A CA 3.065 55.081 52.037 -0.035 0.000 0.631 119 A CB -0.498 18.526 19.000 0.040 0.000 0.814 119 A HN 0.083 8.051 8.150 0.058 0.217 0.446 120 W N -4.841 116.455 121.300 -0.006 0.000 2.364 120 W HA -0.268 4.387 4.660 -0.009 0.000 0.281 120 W C -0.302 176.212 176.519 -0.009 0.000 1.219 120 W CA 0.899 58.239 57.345 -0.008 0.000 1.220 120 W CB -1.008 28.447 29.460 -0.009 0.000 1.127 120 W HN 0.153 8.515 8.180 0.318 0.008 0.556 121 K N -1.693 118.084 120.400 -1.038 0.000 2.699 121 K HA 0.374 4.313 4.320 -0.636 0.000 0.210 121 K C 0.167 176.483 176.600 -0.474 0.000 1.076 121 K CA -0.434 55.277 56.287 -0.961 0.000 1.109 121 K CB -0.318 31.142 32.500 -1.733 0.000 0.862 121 K HN -0.710 6.656 8.250 -1.234 0.144 0.470 122 S N -0.554 114.972 115.700 -0.290 0.000 2.501 122 S HA -0.023 4.338 4.470 -0.182 0.000 0.220 122 S C -0.494 174.041 174.600 -0.109 0.000 0.997 122 S CA 1.578 59.675 58.200 -0.171 0.000 0.919 122 S CB 0.885 64.017 63.200 -0.112 0.000 0.778 122 S HN -0.263 7.835 8.310 -0.249 0.063 0.523 123 T N 4.825 119.321 114.554 -0.097 0.000 2.792 123 T HA 0.651 5.227 4.350 -0.035 -0.247 0.280 123 T C -0.496 174.174 174.700 -0.049 0.000 0.990 123 T CA 0.231 62.298 62.100 -0.055 0.000 0.960 123 T CB 1.782 70.624 68.868 -0.044 0.000 0.939 123 T HN -0.700 7.471 8.240 -0.116 0.000 0.439 124 L N 6.562 127.782 121.223 -0.005 0.000 2.344 124 L HA 0.497 4.809 4.340 -0.047 0.000 0.272 124 L C -1.399 175.424 176.870 -0.079 0.000 1.035 124 L CA -0.705 54.139 54.840 0.006 0.000 0.807 124 L CB 2.255 44.401 42.059 0.145 0.000 1.237 124 L HN 0.566 8.812 8.230 0.027 0.000 0.442 125 V N 0.323 120.053 119.914 -0.306 0.000 2.925 125 V HA 0.936 4.833 4.120 -0.699 -0.197 0.311 125 V C -1.561 173.881 176.094 -1.086 0.000 1.104 125 V CA -2.463 59.458 62.300 -0.632 0.000 0.954 125 V CB 3.763 35.378 31.823 -0.346 0.000 1.022 125 V HN 0.026 8.070 8.190 -0.244 0.000 0.427 126 G N 4.662 112.397 108.800 -1.776 0.000 2.634 126 G HA2 0.287 3.825 3.960 -0.703 0.000 0.309 126 G HA3 0.287 3.171 3.960 -1.793 0.000 0.309 126 G C -3.314 170.899 174.900 -1.145 0.000 1.299 126 G CA 0.239 44.443 45.100 -1.493 0.000 0.798 126 G HN -0.106 7.091 8.290 -1.822 0.000 0.490 127 H N -3.654 115.100 119.070 -0.527 0.000 2.996 127 H HA 0.580 5.144 4.556 -0.151 -0.099 0.368 127 H C -1.877 173.567 175.328 0.194 0.000 1.185 127 H CA -1.524 54.442 56.048 -0.136 0.000 1.160 127 H CB 3.552 33.248 29.762 -0.110 0.000 1.820 127 H HN 0.076 7.918 8.280 -0.730 0.000 0.547 128 D N 1.050 121.635 120.400 0.309 0.000 2.819 128 D HA 0.307 5.114 4.640 0.034 -0.147 0.232 128 D C -1.621 174.709 176.300 0.050 0.000 1.160 128 D CA -0.035 54.042 54.000 0.128 0.000 0.858 128 D CB 5.104 45.931 40.800 0.044 0.000 1.610 128 D HN 0.457 8.938 8.370 0.378 0.116 0.481 129 T N 4.273 118.781 114.554 -0.076 0.000 2.812 129 T HA 0.689 5.303 4.350 0.152 -0.173 0.282 129 T C -0.948 173.715 174.700 -0.061 0.000 0.990 129 T CA -0.248 61.876 62.100 0.040 0.000 0.960 129 T CB 1.568 70.500 68.868 0.107 0.000 0.948 129 T HN 0.491 8.999 8.240 -0.118 -0.339 0.438 130 F N 7.247 127.348 119.950 0.251 0.000 2.480 130 F HA 0.910 5.862 4.527 0.344 -0.219 0.329 130 F C -0.292 175.805 175.800 0.495 0.000 1.091 130 F CA -1.581 56.626 58.000 0.344 0.000 0.972 130 F CB 3.382 42.555 39.000 0.288 0.000 1.150 130 F HN 0.783 9.338 8.300 0.424 0.000 0.467 131 T N -3.254 111.734 114.554 0.724 0.000 2.887 131 T HA 0.599 5.524 4.350 0.727 -0.139 0.292 131 T C 0.182 175.174 174.700 0.486 0.000 1.087 131 T CA -2.067 60.389 62.100 0.593 0.000 1.009 131 T CB 3.410 72.474 68.868 0.325 0.000 1.203 131 T HN 0.675 9.315 8.240 0.667 0.000 0.518 132 K N 1.047 121.518 120.400 0.119 0.000 2.410 132 K HA 0.158 4.596 4.320 -0.033 -0.137 0.200 132 K C -1.273 175.399 176.600 0.121 0.000 1.023 132 K CA 0.468 56.714 56.287 -0.069 0.000 1.149 132 K CB 0.353 32.592 32.500 -0.435 0.000 0.859 132 K HN 0.518 8.817 8.250 0.083 0.000 0.514 133 V N 0.000 120.001 119.914 0.145 0.000 2.409 133 V HA 0.000 4.102 4.120 -0.030 0.000 0.244 133 V CA 0.000 62.312 62.300 0.020 0.000 1.235 133 V CB 0.000 31.838 31.823 0.025 0.000 1.184 133 V HN 0.000 8.206 8.190 0.200 0.104 0.556